A0A087XUS4_POEFO Loading...

nucleoside-triphosphate phosphatase

AlphaFold DB , UniProt , Accession A0A087XUS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 618 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	34.4	Very low	254 Å²	254	154.8 Å²	154.8	100%	1.251	86%	0.855	S	S	*	*				0	113.1	0	-63.4	176.3	-173.3	0	0	105.1
2	G	33.8	Very low	34.6	Very low	72 Å²	72	148.7 Å²	148.7	74%	0.742	84%	0.839	S	S	*	*				133.6	114.8	51.4	0	0	0	0	0	106.5
3	R	30.7	Very low	34.8	Very low	229 Å²	229	144.1 Å²	144.1	86%	0.864	82%	0.823	S	S	*	*			trans	55.3	120.8	148.8	-67.6	-176.1	167.8	176.1	-3.7	121.5
4	I	33.6	Very low	34.5	Very low	158 Å²	158	150.4 Å²	150.4	81%	0.81	83%	0.827	S	S	*	*				74.7	128.1	94.5	-61.7	165.7	0	0	0	114.3
5	G	28.2	Very low	34.5	Very low	75 Å²	75	152.3 Å²	152.3	77%	0.773	83%	0.827	S	S	*	*			trans	-177.9	86.9	158.3	0	0	0	0	0	113
6	F	33.1	Very low	34.4	Very low	206 Å²	206	154 Å²	154	90%	0.904	82%	0.824	S	S	*	*			trans	-92.6	166.2	160.2	-99.4	-85.5	0	0	0	109.7
7	S	32.1	Very low	34.7	Very low	113 Å²	113	151.9 Å²	151.9	79%	0.79	82%	0.824	S	S	*	*			trans	95.8	138.7	168.6	78.4	0	0	0	0	114.2
8	C	34.4	Very low	34.8	Very low	109 Å²	109	152.8 Å²	152.8	74%	0.736	83%	0.828	S	S	*	*			cis	-157.3	165.1	12.2	-106.1	0	0	0	0	106.8
9	L	32.2	Very low	34.8	Very low	166 Å²	166	150.1 Å²	150.1	87%	0.869	82%	0.821	S	S	*	*				-177.8	128.2	85.7	-84.8	162.6	0	0	0	110.8
10	F	36.7	Very low	35	Very low	200 Å²	200	148.3 Å²	148.3	88%	0.877	82%	0.82	S	S	*	*			trans	-82.8	162.1	154.4	-86.4	-89.1	0	0	0	110.2
11	P	48.3	Very low	35.5	Very low	121 Å²	121	149.4 Å²	149.4	79%	0.786	82%	0.819	S	S	*	*				-137.5	162.4	118.9	35.9	-22.3	0	0	0	110.2
12	A	36.5	Very low	35.7	Very low	81 Å²	81	143.9 Å²	143.9	67%	0.669	80%	0.799	S	S	*	*			cis	-159.1	135.1	-3.7	0	0	0	0	0	107.6
13	S	36.7	Very low	36	Very low	89 Å²	89	148.6 Å²	148.6	62%	0.622	81%	0.807	S	S	*	*			trans	10.9	120.5	144.9	60.1	0	0	0	0	120.9
14	W	31.5	Very low	36.8	Very low	233 Å²	233	142.3 Å²	142.3	88%	0.883	80%	0.795	S	S	*	*			trans	-124.1	116.6	137.4	-81.9	60.8	0	0	0	108.4
15	H	33.9	Very low	37.3	Very low	178 Å²	178	145.9 Å²	145.9	82%	0.824	80%	0.799	S	S	*	*			trans	-81.8	129.5	173.3	-77.6	-86.1	0	0	0	109.8
16	F	33.8	Very low	38.1	Very low	180 Å²	180	150.8 Å²	150.8	79%	0.789	81%	0.807	S	S	*	*			trans	-115.2	114	158	-84.9	-84	0	0	0	108.7
17	S	38.8	Very low	39.1	Very low	118 Å²	118	149 Å²	149	83%	0.825	81%	0.805	S	S	*	*			trans	-80.9	121.2	164.4	52.7	0	0	0	0	108.9
18	L	37.2	Very low	40.2	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	81%	0.806	S	S	*	*			trans	-114.5	120	167	-97	153.5	0	0	0	109.5
19	S	33.8	Very low	41.2	Very low	101 Å²	101	148 Å²	148	71%	0.706	79%	0.793	S	S	*	*			trans	-59.9	140.9	179.8	174.1	0	0	0	0	112.2	Q21	S19-Q21 PolarHBondContact O-N 3.03Å
20	S	38.6	Very low	42.8	Very low	114 Å²	114	143 Å²	143	80%	0.797	77%	0.771	S	S	*	*	S	Bend	trans	-75.2	81.6	172.9	59	0	0	0	0	110.7
21	Q	45.3	Very low	44.2	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	76%	0.764	S	S	*	*			trans	-162.6	136.9	157.1	-108	164.8	23.9	0	0	108.7	S19	S19-Q21 PolarHBondContact O-N 3.03Å
22	V	40.7	Very low	45	Very low	137 Å²	137	145.7 Å²	145.7	83%	0.83	77%	0.765	S	S	*	*			trans	87.8	64.5	-177.4	-159.7	0	0	0	0	115
23	L	40.4	Very low	46.5	Very low	172 Å²	172	147 Å²	147	90%	0.901	76%	0.757	S	S	*	*			trans	-89.1	126.3	137.9	-143.1	87.7	0	0	0	106
24	P	47.1	Very low	48.2	Very low	96 Å²	96	147.4 Å²	147.4	62%	0.623	75%	0.752	S	S	*	*				-146.3	149.2	106.8	33.4	-15.7	0	0	0	114.6
25	R	44.5	Very low	50.3	Low	234 Å²	234	141 Å²	141	88%	0.883	73%	0.734	S	S	*	*			trans	71.6	81	157.9	-62.4	171	-177	-175.4	0.9	117.5
26	L	45.8	Very low	52.4	Low	178 Å²	178	139.3 Å²	139.3	93%	0.932	73%	0.725	S	S	*	*			trans	-138.6	47.6	160.7	-105.2	160.9	0	0	0	111.3
27	L	53.1	Low	54.6	Low	168 Å²	168	135 Å²	135	88%	0.88	71%	0.709	S	S	*	*	S	Bend	trans	-145.3	66.4	170.8	-79.4	174.1	0	0	0	110.2
28	T	54.8	Low	56.7	Low	130 Å²	130	131.1 Å²	131.1	80%	0.798	69%	0.687	S	S	*	*			trans	-169.7	107.6	150.7	43	0	0	0	0	106.9	S30	T28-S30 PolarHBondContact O-N 2.7Å
29	P	56.2	Low	59	Low	71 Å²	71	127.7 Å²	127.7	46%	0.461	67%	0.67	S	S	.	*			trans	-60.4	132.3	170.5	25.4	-30.7	0	0	0	108.1	Q33 L34	P29-Q33 HydrophobicContact CB-CB 4.19Å; P29-L34 HydrophobicContact CB-CG 4.21Å; P29-L34 HydrophobicContact CG-CD1 4.05Å; P29-L34 HydrophobicContact CG-CD2 4.13Å; P29-L34 HydrophobicContact CG-CG 3.88Å
30	S	64.7	Low	61.5	Low	60 Å²	60	125.8 Å²	125.8	42%	0.42	65%	0.653	S	S	.	*			trans	-58.7	148.8	175.5	64.9	0	0	0	0	109.4	T28 R32 Q33 L34	T28-S30 PolarHBondContact O-N 2.7Å; S30-R32 PolarHBondContact O-N 2.91Å; S30-Q33 VanDerWaalsContact N-OE1 3.15Å; S30-Q33 WeakPolarHBondContact O-CA 3.34Å; S30-Q33 WeakPolarHBondContact O-CB 3.46Å; S30-Q33 PolarHBondContact O-N 3.29Å; S30-Q33 PolarHBondContact OG-OE1 3.29Å; S30-L34 PolarHBondContact O-N 3.46Å
31	F	66.7	Low	63.7	Low	164 Å²	164	125.7 Å²	125.7	72%	0.719	64%	0.643	S	S	*	*	H	α-helix	trans	-48.9	-33.1	178.9	-178.4	-101.8	0	0	0	112.6	L34 L35	F31-L34 PolarHBondContact O-N 2.74Å; F31-L35 HydrophobicContact CD1-CD1 4.47Å; F31-L35 HydrophobicContact CE1-CD1 3.73Å; F31-L35 HydrophobicContact CZ-CD1 3.92Å; F31-L35 WeakPolarHBondContact O-CB 3.12Å; F31-L35 PolarHBondContact O-N 3.47Å
32	R	64.4	Low	65.6	Low	215 Å²	215	121.6 Å²	121.6	81%	0.811	63%	0.633	S	S	*	*	H	α-helix	trans	-65.2	-36.9	174.8	-70	-175.1	175.8	-175.6	-1.5	114.1	S30 L35 F36	S30-R32 PolarHBondContact O-N 2.91Å; R32-L35 PolarHBondContact O-N 3.22Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 2.87Å
33	Q	69.4	Low	67.9	Low	108 Å²	108	120.1 Å²	120.1	51%	0.505	62%	0.62	S	S	.	*	H	α-helix	trans	-72	-39.2	176.3	-76.6	169.4	-35.3	0	0	111.6	P29 S30 L35 F36 I37	P29-Q33 HydrophobicContact CB-CB 4.19Å; S30-Q33 VanDerWaalsContact N-OE1 3.15Å; S30-Q33 WeakPolarHBondContact O-CA 3.34Å; S30-Q33 WeakPolarHBondContact O-CB 3.46Å; S30-Q33 PolarHBondContact O-N 3.29Å; S30-Q33 PolarHBondContact OG-OE1 3.29Å; Q33-L35 VanDerWaalsContact C-N 3.31Å; Q33-L35 PolarHBondContact O-N 2.96Å; Q33-F36 PolarHBondContact O-N 3.44Å; Q33-I37 WeakPolarHBondContact O-CD1 3.44Å; Q33-I37 VanDerWaalsContact O-CG1 3.25Å; Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 3.15Å
34	L	72.4	Confident	70.1	Confident	98 Å²	98	117 Å²	117	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-62.9	-40.2	172.5	-78.5	163.8	0	0	0	111.5	P29 S30 F31 I37 G38	P29-L34 HydrophobicContact CB-CG 4.21Å; P29-L34 HydrophobicContact CG-CD1 4.05Å; P29-L34 HydrophobicContact CG-CD2 4.13Å; P29-L34 HydrophobicContact CG-CG 3.88Å; S30-L34 PolarHBondContact O-N 3.46Å; F31-L34 PolarHBondContact O-N 2.74Å; L34-I37 PolarHBondContact O-N 3.36Å; L34-G38 PolarHBondContact O-N 2.9Å
35	L	74.9	Confident	71.9	Confident	97 Å²	97	113.9 Å²	113.9	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-64.7	-41.4	176.5	-150.1	113.8	0	0	0	111.8	F31 R32 Q33 G38 L39	F31-L35 HydrophobicContact CD1-CD1 4.47Å; F31-L35 HydrophobicContact CE1-CD1 3.73Å; F31-L35 HydrophobicContact CZ-CD1 3.92Å; F31-L35 WeakPolarHBondContact O-CB 3.12Å; F31-L35 PolarHBondContact O-N 3.47Å; R32-L35 PolarHBondContact O-N 3.22Å; Q33-L35 VanDerWaalsContact C-N 3.31Å; Q33-L35 PolarHBondContact O-N 2.96Å; L35-G38 PolarHBondContact O-N 3.17Å; L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 PolarHBondContact O-N 3.45Å
36	F	77.9	Confident	73.9	Confident	143 Å²	143	107.8 Å²	107.8	63%	0.627	57%	0.573	S	S	*	*	H	α-helix	trans	-65.7	-44.6	176.9	-174.3	-99.1	0	0	0	112.2	R32 Q33 G38 L39 V40	R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 2.87Å; Q33-F36 PolarHBondContact O-N 3.44Å; F36-G38 VanDerWaalsContact C-N 3.32Å; F36-G38 PolarHBondContact O-N 2.87Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-V40 HydrophobicContact CD1-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 3.87Å; F36-V40 HydrophobicContact CZ-CG2 4.08Å; F36-V40 WeakPolarHBondContact O-CG2 3.31Å; F36-V40 PolarHBondContact O-N 3.39Å
37	I	80.4	Confident	75.8	Confident	90 Å²	90	104.4 Å²	104.4	46%	0.462	56%	0.555	S	S	.	*	H	α-helix	trans	-62.3	-42.1	175.9	-67.3	165.1	0	0	0	110.4	Q33 L34 L39 V40 L41	Q33-I37 WeakPolarHBondContact O-CD1 3.44Å; Q33-I37 VanDerWaalsContact O-CG1 3.25Å; Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 3.15Å; L34-I37 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact C-N 3.34Å; I37-L39 PolarHBondContact O-N 3.29Å; I37-V40 PolarHBondContact O-N 3.5Å; I37-L41 HydrophobicContact CG2-CD1 3.98Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.18Å; I37-L41 PolarHBondContact O-N 2.94Å
38	G	82.6	Confident	77.3	Confident	36 Å²	36	104 Å²	104	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.3	0	0	0	0	0	112.8	L34 L35 F36 L41 C42	L34-G38 PolarHBondContact O-N 2.9Å; L35-G38 PolarHBondContact O-N 3.17Å; F36-G38 VanDerWaalsContact C-N 3.32Å; F36-G38 PolarHBondContact O-N 2.87Å; G38-L41 PolarHBondContact O-N 3.07Å; G38-C42 WeakPolarHBondContact O-CB 3.38Å; G38-C42 PolarHBondContact O-N 3.14Å
39	L	84.9	Confident	78.4	Confident	98 Å²	98	103.3 Å²	103.3	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-42.8	177.7	-122.7	159	0	0	0	112.2	L35 F36 I37 C42 L43	L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 PolarHBondContact O-N 3.45Å; F36-L39 PolarHBondContact O-N 3.32Å; I37-L39 VanDerWaalsContact C-N 3.34Å; I37-L39 PolarHBondContact O-N 3.29Å; L39-C42 PolarHBondContact O-N 3.1Å; L39-L43 HydrophobicContact CD2-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.98Å
40	V	86.7	Confident	79.6	Confident	60 Å²	60	105 Å²	105	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-43.3	177.4	172.2	0	0	0	0	111.1	F36 I37 C42 L43 I44	F36-V40 HydrophobicContact CD1-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 3.87Å; F36-V40 HydrophobicContact CZ-CG2 4.08Å; F36-V40 WeakPolarHBondContact O-CG2 3.31Å; F36-V40 PolarHBondContact O-N 3.39Å; I37-V40 PolarHBondContact O-N 3.5Å; V40-C42 PolarHBondContact O-N 3.4Å; V40-L43 PolarHBondContact O-N 2.92Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 VanDerWaalsContact O-CG1 3.3Å; V40-I44 WeakPolarHBondContact O-CG1 3.49Å; V40-I44 PolarHBondContact O-N 3.19Å
41	L	85.1	Confident	80.2	Confident	112 Å²	112	106.9 Å²	106.9	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-37.9	176.5	-70.5	172.6	0	0	0	112.2	I37 G38 I44 G45	I37-L41 HydrophobicContact CG2-CD1 3.98Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.18Å; I37-L41 PolarHBondContact O-N 2.94Å; G38-L41 PolarHBondContact O-N 3.07Å; L41-I44 PolarHBondContact O-N 3.45Å; L41-G45 PolarHBondContact O-N 2.87Å
42	C	85.8	Confident	80.6	Confident	86 Å²	86	101.7 Å²	101.7	58%	0.581	53%	0.525	S	S	*	.	H	α-helix	trans	-62.5	-42.4	172.4	-103.1	0	0	0	0	112.1	G38 L39 V40 G45 L46	G38-C42 WeakPolarHBondContact O-CB 3.38Å; G38-C42 PolarHBondContact O-N 3.14Å; L39-C42 PolarHBondContact O-N 3.1Å; V40-C42 PolarHBondContact O-N 3.4Å; C42-G45 PolarHBondContact O-N 3.33Å; C42-L46 WeakPolarHBondContact O-CB 3.21Å; C42-L46 PolarHBondContact O-N 3.24Å
43	L	87.6	Confident	81	Confident	107 Å²	107	93.9 Å²	93.9	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-63.9	-43.1	177	-108.8	148.5	0	0	0	111.9	L39 V40 L46 L47	L39-L43 HydrophobicContact CD2-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.98Å; V40-L43 PolarHBondContact O-N 2.92Å; L43-L46 PolarHBondContact O-N 3.3Å; L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 PolarHBondContact O-N 3.33Å
44	I	86.9	Confident	81	Confident	105 Å²	105	92.7 Å²	92.7	54%	0.538	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-41.3	175.4	-66.6	167	0	0	0	110.6	V40 L41 L47 Y48	V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 VanDerWaalsContact O-CG1 3.3Å; V40-I44 WeakPolarHBondContact O-CG1 3.49Å; V40-I44 PolarHBondContact O-N 3.19Å; L41-I44 PolarHBondContact O-N 3.45Å; I44-L47 PolarHBondContact O-N 2.97Å; I44-Y48 WeakPolarHBondContact O-CB 3.28Å; I44-Y48 PolarHBondContact O-N 3.02Å
45	G	86	Confident	80.4	Confident	32 Å²	32	93.4 Å²	93.4	33%	0.33	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-41	175.4	0	0	0	0	0	113	L41 C42 Y48 L49	L41-G45 PolarHBondContact O-N 2.87Å; C42-G45 PolarHBondContact O-N 3.33Å; G45-Y48 PolarHBondContact O-N 2.98Å; G45-L49 WeakPolarHBondContact O-CB 3.28Å; G45-L49 WeakPolarHBondContact O-CG 3.28Å; G45-L49 PolarHBondContact O-N 2.89Å
46	L	85.1	Confident	79.4	Confident	106 Å²	106	92.5 Å²	92.5	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-41.5	173.5	-95.8	155.9	0	0	0	112	C42 L43 Y48 L49 L50	C42-L46 WeakPolarHBondContact O-CB 3.21Å; C42-L46 PolarHBondContact O-N 3.24Å; L43-L46 PolarHBondContact O-N 3.3Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 3.24Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 3.27Å
47	L	85.9	Confident	78.1	Confident	106 Å²	106	91.9 Å²	91.9	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-39.2	177.1	-149.2	102.4	0	0	0	111.3	L43 I44 L50 L51	L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 PolarHBondContact O-N 3.33Å; I44-L47 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 3.39Å; L47-L51 HydrophobicContact CD2-CD1 4.31Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 2.88Å
48	Y	84.9	Confident	76.5	Confident	160 Å²	160	91.5 Å²	91.5	63%	0.627	51%	0.51	S	S	*	.	H	α-helix	trans	-65.7	-43.7	174.1	-178.7	-100.4	0	0	0	111.5	I44 G45 L46 L50 L51 V52	I44-Y48 WeakPolarHBondContact O-CB 3.28Å; I44-Y48 PolarHBondContact O-N 3.02Å; G45-Y48 PolarHBondContact O-N 2.98Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; Y48-L50 PolarHBondContact O-N 3.1Å; Y48-L51 PolarHBondContact O-N 3.4Å; Y48-V52 HydrophobicContact CD1-CG2 4.1Å; Y48-V52 HydrophobicContact CD2-CG2 4.49Å; Y48-V52 HydrophobicContact CE1-CG2 3.71Å; Y48-V52 HydrophobicContact CE2-CG2 4.13Å; Y48-V52 HydrophobicContact CG-CG2 4.48Å; Y48-V52 WeakPolarHBondContact O-CB 3.4Å; Y48-V52 VanDerWaalsContact O-CG2 3.29Å; Y48-V52 WeakPolarHBondContact O-CG2 3.31Å; Y48-V52 PolarHBondContact O-N 3.05Å
49	L	78.9	Confident	74.5	Confident	115 Å²	115	94.3 Å²	94.3	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-64.2	-36.8	175.1	-78.2	167.6	0	0	0	112.3	G45 L46 A53	G45-L49 WeakPolarHBondContact O-CB 3.28Å; G45-L49 WeakPolarHBondContact O-CG 3.28Å; G45-L49 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.02Å
50	L	81.3	Confident	72.1	Confident	106 Å²	106	101 Å²	101	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-66.7	-43.2	172.7	-83.3	162.6	0	0	0	111.7	L46 L47 Y48 A53 V54	L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 3.27Å; L47-L50 PolarHBondContact O-N 3.39Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; Y48-L50 PolarHBondContact O-N 3.1Å; L50-A53 PolarHBondContact O-N 2.99Å; L50-V54 WeakPolarHBondContact O-CB 3.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.21Å
51	L	76.9	Confident	69.8	Low	100 Å²	100	102.4 Å²	102.4	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-63.7	-41.6	175.3	-90.1	158.2	0	0	0	112	L47 Y48 N55	L47-L51 HydrophobicContact CD2-CD1 4.31Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 2.88Å; Y48-L51 PolarHBondContact O-N 3.4Å; L51-N55 WeakPolarHBondContact O-CB 3.45Å; L51-N55 PolarHBondContact O-N 3.04Å
52	V	75.2	Confident	67.7	Low	56 Å²	56	99.7 Å²	99.7	34%	0.339	55%	0.55	S	S	.	*	H	α-helix	trans	-66.8	-44.5	174.6	172.1	0	0	0	0	110	Y48 V54 N55 T56	Y48-V52 HydrophobicContact CD1-CG2 4.1Å; Y48-V52 HydrophobicContact CD2-CG2 4.49Å; Y48-V52 HydrophobicContact CE1-CG2 3.71Å; Y48-V52 HydrophobicContact CE2-CG2 4.13Å; Y48-V52 HydrophobicContact CG-CG2 4.48Å; Y48-V52 WeakPolarHBondContact O-CB 3.4Å; Y48-V52 VanDerWaalsContact O-CG2 3.29Å; Y48-V52 WeakPolarHBondContact O-CG2 3.31Å; Y48-V52 PolarHBondContact O-N 3.05Å; V52-V54 VanDerWaalsContact C-N 3.34Å; V52-V54 PolarHBondContact O-N 2.98Å; V52-N55 CarbonylContact O-C 3.6Å; V52-N55 PolarHBondContact O-N 3.35Å; V52-T56 HydrophobicContact CG1-CG2 4.16Å; V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.39Å; V52-T56 PolarHBondContact O-N 2.81Å; V52-T56 PolarHBondContact O-OG1 3.41Å
53	A	72.6	Confident	65.7	Low	50 Å²	50	104.5 Å²	104.5	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-61.1	-42.1	177.1	0	0	0	0	0	111.9	L49 L50 T56 H57	L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.02Å; L50-A53 PolarHBondContact O-N 2.99Å; A53-T56 VanDerWaalsContact CA-OG1 3.26Å; A53-T56 WeakPolarHBondContact CA-OG1 3.33Å; A53-T56 PolarHBondContact O-N 3.32Å; A53-T56 PolarHBondContact O-OG1 3.38Å; A53-H57 WeakPolarHBondContact O-CB 3.1Å; A53-H57 PolarHBondContact O-N 3.19Å
54	V	69.4	Low	63.7	Low	84 Å²	84	105.5 Å²	105.5	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-43.5	175.4	171.3	0	0	0	0	110.9	L50 V52 H57 T58	L50-V54 WeakPolarHBondContact O-CB 3.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.21Å; V52-V54 VanDerWaalsContact C-N 3.34Å; V52-V54 PolarHBondContact O-N 2.98Å; V54-H57 PolarHBondContact O-N 3.4Å; V54-T58 WeakPolarHBondContact O-CG2 3.37Å; V54-T58 PolarHBondContact O-N 3.14Å; V54-T58 PolarHBondContact O-OG1 3Å
55	N	59.6	Low	62.1	Low	113 Å²	113	104.9 Å²	104.9	60%	0.604	56%	0.564	S	S	*	*	H	α-helix	trans	-67.9	-34.6	175.4	-98.4	-1.7	0	0	0	113.2	L51 V52 T58 S59	L51-N55 WeakPolarHBondContact O-CB 3.45Å; L51-N55 PolarHBondContact O-N 3.04Å; V52-N55 CarbonylContact O-C 3.6Å; V52-N55 PolarHBondContact O-N 3.35Å; N55-T58 VanDerWaalsContact CA-OG1 3.3Å; N55-T58 WeakPolarHBondContact CA-OG1 3.27Å; N55-T58 PolarHBondContact O-OG1 2.97Å; N55-T58 VanDerWaalsContact O-OG1 3.09Å; N55-S59 WeakPolarHBondContact O-CB 3.48Å; N55-S59 PolarHBondContact O-N 3.43Å
56	T	54.3	Low	60.7	Low	77 Å²	77	105.9 Å²	105.9	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-72.6	-34	173.6	50.6	0	0	0	0	110.7	V52 A53 S59 W60	V52-T56 HydrophobicContact CG1-CG2 4.16Å; V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.39Å; V52-T56 PolarHBondContact O-N 2.81Å; V52-T56 PolarHBondContact O-OG1 3.41Å; A53-T56 VanDerWaalsContact CA-OG1 3.26Å; A53-T56 WeakPolarHBondContact CA-OG1 3.33Å; A53-T56 PolarHBondContact O-N 3.32Å; A53-T56 PolarHBondContact O-OG1 3.38Å; T56-S59 CarbonylContact O-C 3.35Å; T56-S59 PolarHBondContact O-N 2.77Å; T56-W60 VanDerWaalsContact O-CB 3.28Å; T56-W60 WeakPolarHBondContact O-CB 3.27Å; T56-W60 PolarHBondContact O-N 2.65Å
57	H	49.6	Very low	59.3	Low	131 Å²	131	106.8 Å²	106.8	61%	0.606	56%	0.564	S	S	*	*	H	α-helix	trans	-72.4	-36.2	175.5	-167.2	-62.5	0	0	0	111.9	A53 V54 S59 W60 T61	A53-H57 WeakPolarHBondContact O-CB 3.1Å; A53-H57 PolarHBondContact O-N 3.19Å; V54-H57 PolarHBondContact O-N 3.4Å; H57-S59 VanDerWaalsContact C-N 3.34Å; H57-W60 PolarHBondContact O-N 2.74Å; H57-T61 PolarHBondContact O-N 3.47Å; H57-T61 VanDerWaalsContact O-N 3.08Å; H57-T61 PolarHBondContact O-OG1 3.02Å
58	T	46.7	Very low	57.9	Low	81 Å²	81	107 Å²	107	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-72.9	-27.5	171	52.5	0	0	0	0	112.3	V54 N55 T61	V54-T58 WeakPolarHBondContact O-CG2 3.37Å; V54-T58 PolarHBondContact O-N 3.14Å; V54-T58 PolarHBondContact O-OG1 3Å; N55-T58 VanDerWaalsContact CA-OG1 3.3Å; N55-T58 WeakPolarHBondContact CA-OG1 3.27Å; N55-T58 PolarHBondContact O-OG1 2.97Å; N55-T58 VanDerWaalsContact O-OG1 3.09Å; T58-T61 PolarHBondContact O-OG1 3.27Å; T58-T61 VanDerWaalsContact O-OG1 3.07Å
59	S	41.4	Very low	56.9	Low	96 Å²	96	100.6 Å²	100.6	67%	0.671	54%	0.537	S	S	*	.	H	α-helix	trans	-78.2	-17.8	170.1	177.3	0	0	0	0	113.8	N55 T56 H57	N55-S59 WeakPolarHBondContact O-CB 3.48Å; N55-S59 PolarHBondContact O-N 3.43Å; T56-S59 CarbonylContact O-C 3.35Å; T56-S59 PolarHBondContact O-N 2.77Å; H57-S59 VanDerWaalsContact C-N 3.34Å
60	W	34.1	Very low	55.9	Low	237 Å²	237	98.6 Å²	98.6	90%	0.898	52%	0.524	S	S	*	.	H	α-helix	trans	-97.4	-17.1	178.2	-119.3	50.7	0	0	0	113.7	T56 H57 G62	T56-W60 VanDerWaalsContact O-CB 3.28Å; T56-W60 WeakPolarHBondContact O-CB 3.27Å; T56-W60 PolarHBondContact O-N 2.65Å; H57-W60 PolarHBondContact O-N 2.74Å; W60-G62 VanDerWaalsContact C-N 3.26Å; W60-G62 PolarHBondContact O-N 3.29Å
61	T	38.2	Very low	54.9	Low	91 Å²	91	97 Å²	97	56%	0.558	52%	0.516	S	S	*	.	S	Bend	trans	-74.9	88.5	162.6	48.8	0	0	0	0	107.7	H57 T58	H57-T61 PolarHBondContact O-N 3.47Å; H57-T61 VanDerWaalsContact O-N 3.08Å; H57-T61 PolarHBondContact O-OG1 3.02Å; T58-T61 PolarHBondContact O-OG1 3.27Å; T58-T61 VanDerWaalsContact O-OG1 3.07Å
62	G	41.6	Very low	54.2	Low	54 Å²	54	94.9 Å²	94.9	56%	0.557	51%	0.513	S	S	*	.			trans	-54.1	133.2	-162.3	0	0	0	0	0	115.3	W60 E64	W60-G62 VanDerWaalsContact C-N 3.26Å; W60-G62 PolarHBondContact O-N 3.29Å; G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 3.26Å
63	E	42.7	Very low	53.7	Low	187 Å²	187	94.3 Å²	94.3	87%	0.874	51%	0.505	S	S	*	.			trans	-61.6	91.2	149.4	-72.4	-178.9	151.1	0	0	108.1	N65	E63-N65 VanDerWaalsContact C-N 3.29Å; E63-N65 PolarHBondContact O-N 2.97Å
64	E	46.1	Very low	53.1	Low	129 Å²	129	93.8 Å²	93.8	60%	0.603	50%	0.496	S	S	*	.			trans	-72.2	87.2	171.8	-72.2	-154	172.3	0	0	110.3	G62	G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 3.26Å
65	N	54.3	Low	52.5	Low	91 Å²	91	94 Å²	94	49%	0.487	50%	0.498	S	S	.	.			trans	-58.5	141.7	173.8	-165.5	-31.1	0	0	0	110.3	E63 F67 H68 R69	E63-N65 VanDerWaalsContact C-N 3.29Å; E63-N65 PolarHBondContact O-N 2.97Å; N65-F67 CarbonylContact O-C 3.54Å; N65-F67 PolarHBondContact O-N 3.07Å; N65-F67 PolarHBondContact OD1-N 3.17Å; N65-H68 WeakPolarHBondContact O-CA 3.47Å; N65-H68 WeakPolarHBondContact O-CB 3.4Å; N65-H68 PolarHBondContact O-N 3.46Å; N65-R69 PolarHBondContact O-N 2.98Å
66	P	56	Low	52.8	Low	53 Å²	53	91.4 Å²	91.4	34%	0.344	48%	0.484	S	S	.	.	H	α-helix	trans	-49.3	-25.3	172.5	11.3	-27.3	0	0	0	114.3	R69 H70	P66-R69 PolarHBondContact O-N 3.5Å; P66-H70 WeakPolarHBondContact O-CB 3.47Å; P66-H70 PolarHBondContact O-N 2.86Å
67	F	55.7	Low	53.5	Low	125 Å²	125	90 Å²	90	55%	0.548	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-40.9	169.1	-174.7	-102.3	0	0	0	113.6	N65 H70 L71	N65-F67 CarbonylContact O-C 3.54Å; N65-F67 PolarHBondContact O-N 3.07Å; N65-F67 PolarHBondContact OD1-N 3.17Å; F67-H70 WeakPolarHBondContact O-CB 3.3Å; F67-H70 PolarHBondContact O-N 3.23Å; F67-L71 HydrophobicContact CD1-CD1 4.28Å; F67-L71 HydrophobicContact CE1-CD1 3.62Å; F67-L71 HydrophobicContact CE2-CD1 4.12Å; F67-L71 HydrophobicContact CZ-CD1 3.52Å; F67-L71 WeakPolarHBondContact O-CB 3.24Å; F67-L71 PolarHBondContact O-N 3.22Å
68	H	57.4	Low	55.2	Low	112 Å²	112	89 Å²	89	52%	0.519	47%	0.472	S	S	.	.	H	α-helix	trans	-68.8	-38	174.9	-85.5	-75.8	0	0	0	112.3	N65 H70 L71 A72	N65-H68 WeakPolarHBondContact O-CA 3.47Å; N65-H68 WeakPolarHBondContact O-CB 3.4Å; N65-H68 PolarHBondContact O-N 3.46Å; H68-H70 VanDerWaalsContact C-N 3.34Å; H68-L71 PolarHBondContact O-N 2.82Å; H68-A72 VanDerWaalsContact O-CB 3.26Å; H68-A72 WeakPolarHBondContact O-CB 3.26Å; H68-A72 PolarHBondContact O-N 3.23Å
69	R	62.2	Low	57.3	Low	24 Å²	24	87.2 Å²	87.2	9%	0.091	47%	0.466	C	S	.	.	H	α-helix	trans	-64.6	-40.3	173	-172.9	-178.5	-63.1	149.5	5.8	111.8	N65 P66 R73 D243 E245	N65-R69 PolarHBondContact O-N 2.98Å; P66-R69 PolarHBondContact O-N 3.5Å; R69-R73 WeakPolarHBondContact O-CB 3.38Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.04Å; R69-R73 VanDerWaalsContact O-N 3.17Å; R69-D243 IonicContact CZ-OD2 2.8Å; R69-D243 IonicContact NH1-OD2 3.4Å; R69-D243 PolarHBondContact NH1-OD2 3.17Å; R69-D243 IonicContact NH2-OD2 3.13Å; R69-D243 PolarHBondContact NH2-OD2 3.48Å; R69-E245 IonicContact NH1-OE1 3.88Å
70	H	58.8	Low	59.7	Low	74 Å²	74	83.8 Å²	83.8	34%	0.343	44%	0.441	S	S	.	.	H	α-helix	trans	-61.4	-50.3	171.3	179.2	67.2	0	0	0	110.7	P66 F67 H68 R73 V74 Y520	P66-H70 WeakPolarHBondContact O-CB 3.47Å; P66-H70 PolarHBondContact O-N 2.86Å; F67-H70 WeakPolarHBondContact O-CB 3.3Å; F67-H70 PolarHBondContact O-N 3.23Å; H68-H70 VanDerWaalsContact C-N 3.34Å; H70-R73 PolarHBondContact O-N 2.82Å; H70-V74 WeakPolarHBondContact O-CB 2.93Å; H70-V74 WeakPolarHBondContact O-CG2 3.27Å; H70-V74 PolarHBondContact O-N 3.36Å; H70-Y520 HydrophobicContact CB-CE1 4.36Å; H70-Y520 AromaticContact CE1-CD1 3.95Å; H70-Y520 AromaticContact ND1-CD1 3.18Å; H70-Y520 WeakPolarHBondContact ND1-CD1 3.41Å; H70-Y520 AromaticContact ND1-CE1 3.44Å; H70-Y520 WeakPolarHBondContact ND1-CE1 3.39Å
71	L	59.4	Low	62.6	Low	71 Å²	71	76.6 Å²	76.6	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-58.8	-52.6	178.9	-130	86.6	0	0	0	110.9	F67 H68 R73 V74 T75	F67-L71 HydrophobicContact CD1-CD1 4.28Å; F67-L71 HydrophobicContact CE1-CD1 3.62Å; F67-L71 HydrophobicContact CE2-CD1 4.12Å; F67-L71 HydrophobicContact CZ-CD1 3.52Å; F67-L71 WeakPolarHBondContact O-CB 3.24Å; F67-L71 PolarHBondContact O-N 3.22Å; H68-L71 PolarHBondContact O-N 2.82Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.21Å; L71-V74 CarbonylContact O-C 3.6Å; L71-V74 PolarHBondContact O-N 3.31Å; L71-T75 HydrophobicContact CG-CG2 4.32Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 VanDerWaalsContact O-CG2 3.26Å; L71-T75 WeakPolarHBondContact O-CG2 3.31Å; L71-T75 PolarHBondContact O-N 3.09Å; L71-T75 PolarHBondContact O-OG1 3.35Å
72	A	63.3	Low	65.2	Low	56 Å²	56	75.5 Å²	75.5	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-56.2	-41.8	-178.9	0	0	0	0	0	112.3	H68 T75 D76	H68-A72 VanDerWaalsContact O-CB 3.26Å; H68-A72 WeakPolarHBondContact O-CB 3.26Å; H68-A72 PolarHBondContact O-N 3.23Å; A72-T75 WeakPolarHBondContact CA-OG1 3.28Å; A72-T75 PolarHBondContact O-OG1 2.77Å; A72-D76 WeakPolarHBondContact O-CB 2.94Å; A72-D76 PolarHBondContact O-N 2.86Å
73	R	64.1	Low	67.7	Low	45 Å²	45	77.4 Å²	77.4	17%	0.17	42%	0.418	C	S	.	.	H	α-helix	trans	-74.9	-27.7	178.1	-73	177.3	173.1	158.1	-8.9	113.8	R69 H70 L71 V233	R69-R73 WeakPolarHBondContact O-CB 3.38Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.04Å; R69-R73 VanDerWaalsContact O-N 3.17Å; H70-R73 PolarHBondContact O-N 2.82Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.21Å; R73-V233 PolarHBondContact NH1-O 3.24Å; R73-V233 PolarHBondContact NH2-O 2.86Å
74	V	60.3	Low	70.2	Confident	38 Å²	38	71 Å²	71	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-89.6	-20.2	177.3	174.7	0	0	0	0	111.9	H70 L71 L77	H70-V74 WeakPolarHBondContact O-CB 2.93Å; H70-V74 WeakPolarHBondContact O-CG2 3.27Å; H70-V74 PolarHBondContact O-N 3.36Å; L71-V74 CarbonylContact O-C 3.6Å; L71-V74 PolarHBondContact O-N 3.31Å; V74-L77 WeakPolarHBondContact O-CD1 3.34Å; V74-L77 WeakPolarHBondContact O-CG 3.17Å
75	T	56.7	Low	72.4	Confident	90 Å²	90	69.4 Å²	69.4	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-87.5	-26.2	173.3	55.1	0	0	0	0	111.8	L71 A72 L77	L71-T75 HydrophobicContact CG-CG2 4.32Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 VanDerWaalsContact O-CG2 3.26Å; L71-T75 WeakPolarHBondContact O-CG2 3.31Å; L71-T75 PolarHBondContact O-N 3.09Å; L71-T75 PolarHBondContact O-OG1 3.35Å; A72-T75 WeakPolarHBondContact CA-OG1 3.28Å; A72-T75 PolarHBondContact O-OG1 2.77Å; T75-L77 PolarHBondContact O-N 2.98Å
76	D	65	Low	74.2	Confident	58 Å²	58	69.5 Å²	69.5	31%	0.31	39%	0.391	S	S	.	.			trans	-79.3	57.5	171.8	-174.5	50.2	0	0	0	111.5	A72 R121	A72-D76 WeakPolarHBondContact O-CB 2.94Å; A72-D76 PolarHBondContact O-N 2.86Å; D76-R121 VanDerWaalsContact CG-NH1 3.31Å; D76-R121 IonicContact OD1-NH1 3.23Å; D76-R121 IonicContact OD2-CZ 2.69Å; D76-R121 IonicContact OD2-NE 3.53Å; D76-R121 IonicContact OD2-NH1 2.74Å; D76-R121 PolarHBondContact OD2-NH1 3.01Å
77	L	69.4	Low	76.1	Confident	47 Å²	47	68 Å²	68	25%	0.246	38%	0.38	C	S	.	.			trans	-104.5	13.5	173.7	-61.9	174.6	0	0	0	111.6	V74 T75 R124 R128 D521	V74-L77 WeakPolarHBondContact O-CD1 3.34Å; V74-L77 WeakPolarHBondContact O-CG 3.17Å; T75-L77 PolarHBondContact O-N 2.98Å; L77-R124 WeakPolarHBondContact O-CD 3.33Å; L77-R128 WeakPolarHBondContact O-CB 3.28Å; L77-R128 WeakPolarHBondContact O-CD 3.34Å; L77-R128 WeakPolarHBondContact O-CG 3.45Å; L77-D521 HydrophobicContact CD2-CB 4.37Å
78	D	84.8	Confident	78	Confident	110 Å²	110	64.2 Å²	64.2	59%	0.588	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65	154.8	179.9	-71.2	-33.4	0	0	0	111.5
79	A	90.8	Very high	79.9	Confident	43 Å²	43	59 Å²	59	36%	0.355	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60.9	142.3	174.7	0	0	0	0	0	109.3	D81 D125	A79-D81 PolarHBondContact O-N 3.07Å; A79-D125 WeakPolarHBondContact CB-O 3.31Å
80	T	93.3	Very high	81.6	Confident	25 Å²	25	57.9 Å²	57.9	15%	0.153	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.3	124.1	176	-58.8	0	0	0	0	109.2	T82 L87 Y89 C106 M123 R124	T80-T82 PolarHBondContact O-N 3.26Å; T80-L87 HydrophobicContact CG2-CD1 3.72Å; T80-Y89 HydrophobicContact CG2-CE1 4.38Å; T80-C106 HydrophobicContact CG2-CB 4.42Å; T80-M123 HydrophobicContact CG2-CG 4.18Å; T80-R124 WeakPolarHBondContact CB-O 3.36Å; T80-R124 PolarHBondContact N-O 3.28Å; T80-R124 PolarHBondContact OG1-N 2.92Å; T80-R124 PolarHBondContact OG1-O 3.45Å
81	D	93.9	Very high	83.5	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	32%	0.321	S	S	.	.			trans	-72.1	88.5	176.7	178.5	13.4	0	0	0	110.7	A79 S83 N84 L87	A79-D81 PolarHBondContact O-N 3.07Å; D81-S83 PolarHBondContact O-N 3.47Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD1-CB 3.33Å; D81-S83 PolarHBondContact OD1-N 3.35Å; D81-S83 PolarHBondContact OD1-OG 3.34Å; D81-N84 HydrophobicContact CB-CB 4.4Å; D81-N84 WeakPolarHBondContact O-CB 3.48Å; D81-N84 PolarHBondContact O-N 2.78Å; D81-N84 VanDerWaalsContact O-N 3.09Å; D81-L87 WeakPolarHBondContact O-CD1 3.48Å
82	T	94.1	Very high	85.3	Confident	69 Å²	69	51 Å²	51	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.1	179.7	55.4	0	0	0	0	113.6	T80 M123 P165	T80-T82 PolarHBondContact O-N 3.26Å; T82-M123 HydrophobicContact CG2-CE 3.59Å; T82-P165 VanDerWaalsContact O-CG 3.27Å; T82-P165 WeakPolarHBondContact O-CG 3.2Å
83	S	93.6	Very high	86.9	Confident	94 Å²	94	48.3 Å²	48.3	66%	0.657	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.5	174.8	80	0	0	0	0	113.3	D81 P85	D81-S83 PolarHBondContact O-N 3.47Å; D81-S83 VanDerWaalsContact O-N 3.11Å; D81-S83 WeakPolarHBondContact OD1-CB 3.33Å; D81-S83 PolarHBondContact OD1-N 3.35Å; D81-S83 PolarHBondContact OD1-OG 3.34Å; S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.5Å
84	N	94.1	Very high	88.5	Confident	52 Å²	52	46.5 Å²	46.5	28%	0.278	28%	0.275	S	S	.	.			trans	-72.3	112.8	-179.4	-176.1	-9.4	0	0	0	111.1	D81 N86 L87	D81-N84 HydrophobicContact CB-CB 4.4Å; D81-N84 WeakPolarHBondContact O-CB 3.48Å; D81-N84 PolarHBondContact O-N 2.78Å; D81-N84 VanDerWaalsContact O-N 3.09Å; N84-N86 PolarHBondContact O-N 3.32Å; N84-N86 VanDerWaalsContact OD1-CB 3.32Å; N84-N86 WeakPolarHBondContact OD1-CB 3.25Å; N84-N86 PolarHBondContact OD1-N 3Å; N84-N86 PolarHBondContact OD1-ND2 2.9Å; N84-L87 HydrophobicContact CB-CD1 4.18Å; N84-L87 HydrophobicContact CB-CG 4.11Å; N84-L87 PolarHBondContact O-N 3.48Å
85	P	92.9	Very high	90.1	Very high	95 Å²	95	44.8 Å²	44.8	62%	0.617	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16	-177.7	30.6	-36.3	0	0	0	113.1	S83 L87 K168	S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.5Å; P85-L87 VanDerWaalsContact C-N 3.32Å; P85-K168 WeakPolarHBondContact O-CE 3.39Å; P85-K168 PolarHBondContact O-NZ 3.06Å
86	N	92.4	Very high	91.7	Very high	94 Å²	94	40.7 Å²	40.7	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.6	-179.6	-58.5	-53.4	0	0	0	113.3	N84 R109	N84-N86 PolarHBondContact O-N 3.32Å; N84-N86 VanDerWaalsContact OD1-CB 3.32Å; N84-N86 WeakPolarHBondContact OD1-CB 3.25Å; N84-N86 PolarHBondContact OD1-N 3Å; N84-N86 PolarHBondContact OD1-ND2 2.9Å; N86-R109 PolarHBondContact O-N 3.08Å
87	L	95.2	Very high	92.8	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.105	24%	0.236	C	C	.	.			trans	-81	134.2	172.4	-70.6	-179.1	0	0	0	110.6	T80 D81 N84 P85 Y89 P108 K168	T80-L87 HydrophobicContact CG2-CD1 3.72Å; D81-L87 WeakPolarHBondContact O-CD1 3.48Å; N84-L87 HydrophobicContact CB-CD1 4.18Å; N84-L87 HydrophobicContact CB-CG 4.11Å; N84-L87 PolarHBondContact O-N 3.48Å; P85-L87 VanDerWaalsContact C-N 3.32Å; L87-Y89 HydrophobicContact CB-CE2 4.2Å; L87-P108 HydrophobicContact CD2-CB 4.34Å; L87-K168 WeakPolarHBondContact O-CE 3.22Å; L87-K168 PolarHBondContact O-NZ 2.88Å
88	N	96.4	Very high	93.5	Very high	47 Å²	47	40 Å²	40	25%	0.251	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	157.5	169	-57.4	-77.6	0	0	0	108.6	C106 W107	N88-C106 CarbonylContact O-C 3.59Å; N88-C106 WeakPolarHBondContact O-CA 3.17Å; N88-C106 WeakPolarHBondContact O-CB 3.44Å; N88-W107 HydrophobicContact CB-CD2 4.31Å; N88-W107 HydrophobicContact CB-CG 4.42Å; N88-W107 HydrophobicContact CB-CZ2 4.1Å; N88-W107 PolarHBondContact N-O 2.9Å; N88-W107 PolarHBondContact O-N 2.65Å
89	Y	97.7	Very high	93.8	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.5	-176.6	-56.5	-95.6	0	0	0	110.1	T80 L87 Y105 C106 W107 M123 I164 K168 P173	T80-Y89 HydrophobicContact CG2-CE1 4.38Å; L87-Y89 HydrophobicContact CB-CE2 4.2Å; Y89-Y105 CarbonylContact C-O 3.58Å; Y89-Y105 VanDerWaalsContact CA-O 3.23Å; Y89-Y105 WeakPolarHBondContact CA-O 3.47Å; Y89-C106 HydrophobicContact CD1-CB 3.86Å; Y89-C106 HydrophobicContact CE1-CB 4.03Å; Y89-W107 VanDerWaalsContact C-CH2 3.49Å; Y89-W107 WeakPolarHBondContact O-CH2 3Å; Y89-M123 HydrophobicContact CD1-SD 4.07Å; Y89-M123 HydrophobicContact CE1-CE 4.11Å; Y89-M123 HydrophobicContact CE1-SD 3.97Å; Y89-I164 HydrophobicContact CD1-CG1 4.17Å; Y89-I164 HydrophobicContact CD1-CG2 4.44Å; Y89-I164 HydrophobicContact CD2-CG2 4.02Å; Y89-I164 HydrophobicContact CG-CD1 4.46Å; Y89-I164 HydrophobicContact CG-CG1 4.33Å; Y89-I164 HydrophobicContact CG-CG2 3.98Å; Y89-K168 HydrophobicContact CD2-CB 3.94Å; Y89-K168 HydrophobicContact CD2-CD 4.35Å; Y89-K168 HydrophobicContact CD2-CG 4.1Å; Y89-K168 HydrophobicContact CE2-CB 4.15Å; Y89-K168 HydrophobicContact CE2-CD 4.23Å; Y89-K168 HydrophobicContact CE2-CG 3.85Å; Y89-P173 WeakPolarHBondContact O-CD 3.37Å
90	G	97.6	Very high	93.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.1	172.6	0	0	0	0	0	110.9	Y105	G90-Y105 PolarHBondContact N-O 3.03Å; G90-Y105 PolarHBondContact O-N 3.18Å
91	L	97.4	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.4	-178.4	-60.9	176.3	0	0	0	110.3	V102 V104 A160 I164 T172 P173 L174 Y175 F207	L91-V102 HydrophobicContact CD2-CG2 4.45Å; L91-V104 HydrophobicContact CD2-CB 4.05Å; L91-V104 HydrophobicContact CD2-CG1 3.88Å; L91-V104 HydrophobicContact CD2-CG2 3.59Å; L91-A160 HydrophobicContact CD1-CB 4.05Å; L91-A160 HydrophobicContact CD2-CB 3.66Å; L91-I164 HydrophobicContact CD1-CD1 4.28Å; L91-I164 HydrophobicContact CD2-CD1 3.75Å; L91-I164 HydrophobicContact CG-CD1 4.09Å; L91-T172 HydrophobicContact CD1-CG2 4.22Å; L91-T172 HydrophobicContact CG-CG2 3.89Å; L91-P173 PolarHBondContact N-O 3.34Å; L91-L174 HydrophobicContact CB-CB 4.33Å; L91-L174 HydrophobicContact CB-CD1 3.62Å; L91-L174 HydrophobicContact CD1-CB 4.48Å; L91-L174 HydrophobicContact CD1-CD1 4.14Å; L91-Y175 PolarHBondContact O-N 2.85Å; L91-F207 HydrophobicContact CD1-CD1 3.9Å; L91-F207 HydrophobicContact CD1-CD2 3.78Å; L91-F207 HydrophobicContact CD1-CE1 3.69Å; L91-F207 HydrophobicContact CD1-CE2 3.56Å; L91-F207 HydrophobicContact CD1-CG 3.95Å; L91-F207 HydrophobicContact CD1-CZ 3.5Å
92	V	98	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123	168	-173.2	0	0	0	0	109	F103 Y105 Y175 L177 T527 I531	V92-F103 PolarHBondContact N-O 2.61Å; V92-F103 VanDerWaalsContact N-O 3.1Å; V92-F103 PolarHBondContact O-N 3.14Å; V92-Y105 HydrophobicContact CB-CE2 4.39Å; V92-Y105 HydrophobicContact CG2-CD2 4.37Å; V92-Y105 HydrophobicContact CG2-CE2 4.2Å; V92-Y175 CarbonylContact C-O 3.54Å; V92-Y175 WeakPolarHBondContact CA-O 3.39Å; V92-Y175 HydrophobicContact CG2-CD2 4.39Å; V92-L177 HydrophobicContact CG1-CD1 3.97Å; V92-L177 HydrophobicContact CG1-CG 4.43Å; V92-T527 HydrophobicContact CB-CG2 4.3Å; V92-T527 HydrophobicContact CG1-CG2 3.61Å; V92-I531 HydrophobicContact CG2-CB 3.82Å; V92-I531 HydrophobicContact CG2-CD1 4.23Å; V92-I531 HydrophobicContact CG2-CG1 4.46Å
93	V	97.9	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.5	170.6	-175.7	0	0	0	0	108.3	R101 V102 I153 L156 L157 L174 Y175 I176 L177	V93-R101 CarbonylContact C-O 3.53Å; V93-R101 VanDerWaalsContact CA-O 3.29Å; V93-R101 WeakPolarHBondContact CA-O 3.35Å; V93-V102 HydrophobicContact CG2-CB 4.21Å; V93-V102 HydrophobicContact CG2-CG2 4Å; V93-I153 HydrophobicContact CG1-CD1 4.31Å; V93-L156 HydrophobicContact CG1-CD1 3.98Å; V93-L157 HydrophobicContact CG2-CD2 4.03Å; V93-L174 HydrophobicContact CG2-CD1 4.06Å; V93-Y175 PolarHBondContact N-O 2.72Å; V93-I176 HydrophobicContact CB-CB 4.37Å; V93-I176 HydrophobicContact CB-CG1 4.06Å; V93-I176 HydrophobicContact CB-CG2 4.22Å; V93-I176 HydrophobicContact CG1-CG2 4.37Å; V93-I176 HydrophobicContact CG2-CG1 4.09Å; V93-L177 PolarHBondContact O-N 3.32Å
94	D	95.8	Very high	94.4	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.4	167	159.4	33.2	0	0	0	108.5	G96 S100 R101 F103 W526 T527	D94-G96 PolarHBondContact O-N 3.46Å; D94-G96 PolarHBondContact OD1-N 3.02Å; D94-S100 CarbonylContact O-C 3.56Å; D94-S100 WeakPolarHBondContact O-CA 3.27Å; D94-R101 HydrophobicContact CB-CB 4.49Å; D94-R101 PolarHBondContact N-O 3.03Å; D94-R101 PolarHBondContact O-N 2.04Å; D94-R101 IonicContact OD2-CZ 3.95Å; D94-R101 IonicContact OD2-NH1 3.8Å; D94-R101 PolarHBondContact OD2-NH1 3.17Å; D94-F103 HydrophobicContact CB-CE2 4.1Å; D94-W526 HydrophobicContact CB-CH2 4.37Å; D94-W526 HydrophobicContact CB-CZ2 3.68Å; D94-W526 WeakPolarHBondContact OD1-CZ2 3.27Å; D94-T527 HydrophobicContact CB-CG2 3.84Å
95	C	95.9	Very high	94.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	76.3	173.6	-81.8	0	0	0	0	110.1	S100 I139 L177 C178 T179	C95-S100 PolarHBondContact SG-OG 3.02Å; C95-I139 HydrophobicContact CB-CG2 3.81Å; C95-L177 PolarHBondContact N-O 2.85Å; C95-C178 HydrophobicContact CB-CB 4.07Å; C95-C178 WeakPolarHBondContact CB-SG 3.37Å; C95-T179 PolarHBondContact O-N 3.34Å; C95-T179 VanDerWaalsContact O-N 3.12Å; C95-T179 PolarHBondContact O-OG1 3.32Å
96	G	90.3	Very high	94.6	Very high	5 Å²	5	15.2 Å²	15.2	5%	0.052	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	163.8	-178.9	0	0	0	0	0	114.6	D94 S98 G99 G138 T179	D94-G96 PolarHBondContact O-N 3.46Å; D94-G96 PolarHBondContact OD1-N 3.02Å; G96-S98 VanDerWaalsContact C-N 3.3Å; G96-S98 PolarHBondContact O-N 2.77Å; G96-G99 CarbonylContact C-O 3.54Å; G96-G99 WeakPolarHBondContact CA-O 3.25Å; G96-G99 PolarHBondContact N-O 2.94Å; G96-G99 PolarHBondContact O-N 3.3Å; G96-G138 WeakPolarHBondContact O-CA 3.47Å; G96-T179 WeakPolarHBondContact CA-OG1 3.37Å
97	S	87.1	Confident	94.7	Very high	32 Å²	32	11 Å²	11	22%	0.224	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.9	-178.7	67.8	0	0	0	0	114
98	S	83.6	Confident	94.6	Very high	57 Å²	57	12.6 Å²	12.6	40%	0.399	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.3	-177.9	60	0	0	0	0	114.1	G96 R101 K136	G96-S98 VanDerWaalsContact C-N 3.3Å; G96-S98 PolarHBondContact O-N 2.77Å; S98-R101 PolarHBondContact OG-NH2 3Å; S98-K136 WeakPolarHBondContact O-CG 3.2Å
99	G	90.8	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.7	160.3	-173.4	0	0	0	0	0	112.1	G96 R101 I135	G96-G99 CarbonylContact C-O 3.54Å; G96-G99 WeakPolarHBondContact CA-O 3.25Å; G96-G99 PolarHBondContact N-O 2.94Å; G96-G99 PolarHBondContact O-N 3.3Å; G99-R101 PolarHBondContact O-NH1 3.31Å; G99-I135 CarbonylContact C-O 3.53Å; G99-I135 WeakPolarHBondContact CA-O 3.48Å
100	S	94.8	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.1	175.2	-58.8	0	0	0	0	112.3	D94 C95 K134 I135 Y152	D94-S100 CarbonylContact O-C 3.56Å; D94-S100 WeakPolarHBondContact O-CA 3.27Å; C95-S100 PolarHBondContact SG-OG 3.02Å; S100-K134 WeakPolarHBondContact O-CA 3.37Å; S100-I135 PolarHBondContact N-O 3.33Å; S100-I135 VanDerWaalsContact N-O 3.1Å; S100-I135 PolarHBondContact O-N 2.93Å; S100-Y152 WeakPolarHBondContact CB-OH 3.22Å; S100-Y152 PolarHBondContact N-OH 3.35Å; S100-Y152 VanDerWaalsContact N-OH 3.12Å; S100-Y152 WeakPolarHBondContact OG-CE1 3.47Å; S100-Y152 PolarHBondContact OG-OH 2.86Å
101	R	94.7	Very high	93.4	Very high	40 Å²	40	23.1 Å²	23.1	15%	0.151	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.8	-175.3	-47.8	173.1	-177.7	72.2	14.5	110.2	V93 D94 S98 G99 F103 M133 K134	V93-R101 CarbonylContact C-O 3.53Å; V93-R101 VanDerWaalsContact CA-O 3.29Å; V93-R101 WeakPolarHBondContact CA-O 3.35Å; D94-R101 HydrophobicContact CB-CB 4.49Å; D94-R101 PolarHBondContact N-O 3.03Å; D94-R101 PolarHBondContact O-N 2.04Å; D94-R101 IonicContact OD2-CZ 3.95Å; D94-R101 IonicContact OD2-NH1 3.8Å; D94-R101 PolarHBondContact OD2-NH1 3.17Å; S98-R101 PolarHBondContact OG-NH2 3Å; G99-R101 PolarHBondContact O-NH1 3.31Å; R101-F103 HydrophobicContact CB-CE2 3.76Å; R101-F103 HydrophobicContact CB-CZ 4.11Å; R101-M133 CarbonylContact C-O 3.55Å; R101-M133 VanDerWaalsContact CA-O 3.22Å; R101-M133 WeakPolarHBondContact CA-O 3.34Å; R101-K134 HydrophobicContact CB-CG 4.12Å; R101-K134 HydrophobicContact CG-CB 4.02Å; R101-K134 HydrophobicContact CG-CD 3.95Å; R101-K134 HydrophobicContact CG-CG 3.67Å
102	V	97.1	Very high	92.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.1	170.9	65.8	0	0	0	0	110.3	L91 V93 V132 M133 L156 F159 A160	L91-V102 HydrophobicContact CD2-CG2 4.45Å; V93-V102 HydrophobicContact CG2-CB 4.21Å; V93-V102 HydrophobicContact CG2-CG2 4Å; V102-V132 WeakPolarHBondContact O-CA 3.25Å; V102-M133 HydrophobicContact CG1-CB 4Å; V102-M133 PolarHBondContact N-O 3.23Å; V102-M133 PolarHBondContact O-N 3.27Å; V102-L156 HydrophobicContact CB-CB 4Å; V102-L156 HydrophobicContact CB-CD2 4.49Å; V102-L156 HydrophobicContact CG1-CB 3.94Å; V102-L156 HydrophobicContact CG1-CD2 4.05Å; V102-F159 HydrophobicContact CG1-CD1 3.94Å; V102-F159 HydrophobicContact CG1-CE1 4.46Å; V102-A160 HydrophobicContact CG2-CB 4.18Å
103	F	95.4	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	172.8	-61.2	-91.4	0	0	0	108.8	V92 D94 R101 Y105 V132 Q525 T527	V92-F103 PolarHBondContact N-O 2.61Å; V92-F103 VanDerWaalsContact N-O 3.1Å; V92-F103 PolarHBondContact O-N 3.14Å; D94-F103 HydrophobicContact CB-CE2 4.1Å; R101-F103 HydrophobicContact CB-CE2 3.76Å; R101-F103 HydrophobicContact CB-CZ 4.11Å; F103-Y105 HydrophobicContact CB-CD2 4.23Å; F103-Y105 HydrophobicContact CB-CE2 3.48Å; F103-Y105 VanDerWaalsContact CB-CE2 3.48Å; F103-Y105 HydrophobicContact CG-CE2 4.42Å; F103-V132 HydrophobicContact CD1-CG1 4.2Å; F103-V132 HydrophobicContact CD1-CG2 3.62Å; F103-V132 HydrophobicContact CE1-CG1 3.91Å; F103-V132 HydrophobicContact CE1-CG2 3.92Å; F103-V132 HydrophobicContact CZ-CG1 4.37Å; F103-Q525 HydrophobicContact CE1-CB 4.37Å; F103-Q525 HydrophobicContact CE1-CG 3.77Å; F103-Q525 HydrophobicContact CZ-CB 4.21Å; F103-Q525 HydrophobicContact CZ-CG 3.66Å; F103-T527 HydrophobicContact CD2-CG2 3.78Å; F103-T527 WeakPolarHBondContact CD2-OG1 3.32Å; F103-T527 HydrophobicContact CE2-CG2 3.9Å
104	V	96.9	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.8	172.4	-169.2	0	0	0	0	108.9	L91 M123 V131 A160 I164	L91-V104 HydrophobicContact CD2-CB 4.05Å; L91-V104 HydrophobicContact CD2-CG1 3.88Å; L91-V104 HydrophobicContact CD2-CG2 3.59Å; V104-M123 HydrophobicContact CB-CB 4.02Å; V104-M123 HydrophobicContact CB-SD 4.28Å; V104-M123 HydrophobicContact CG1-CB 3.88Å; V104-M123 HydrophobicContact CG1-CG 4.33Å; V104-M123 HydrophobicContact CG1-SD 3.51Å; V104-M123 VanDerWaalsContact CG1-SD 3.51Å; V104-M123 WeakPolarHBondContact O-CB 3.39Å; V104-M123 PolarHBondContact O-N 3.33Å; V104-V131 HydrophobicContact CB-CB 4.08Å; V104-V131 HydrophobicContact CB-CG1 3.94Å; V104-V131 HydrophobicContact CG2-CB 4.17Å; V104-V131 HydrophobicContact CG2-CG1 3.5Å; V104-V131 PolarHBondContact N-O 3.35Å; V104-A160 HydrophobicContact CG2-CB 3.99Å; V104-I164 HydrophobicContact CG1-CD1 3.87Å; V104-I164 HydrophobicContact CG1-CG1 3.97Å
105	Y	95.6	Very high	90.7	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.9	176.3	-63.8	-75.8	0	0	0	110.1	Y89 G90 V92 F103 I120 R121 Q122 T527 L528 I531	Y89-Y105 CarbonylContact C-O 3.58Å; Y89-Y105 VanDerWaalsContact CA-O 3.23Å; Y89-Y105 WeakPolarHBondContact CA-O 3.47Å; G90-Y105 PolarHBondContact N-O 3.03Å; G90-Y105 PolarHBondContact O-N 3.18Å; V92-Y105 HydrophobicContact CB-CE2 4.39Å; V92-Y105 HydrophobicContact CG2-CD2 4.37Å; V92-Y105 HydrophobicContact CG2-CE2 4.2Å; F103-Y105 HydrophobicContact CB-CD2 4.23Å; F103-Y105 HydrophobicContact CB-CE2 3.48Å; F103-Y105 VanDerWaalsContact CB-CE2 3.48Å; F103-Y105 HydrophobicContact CG-CE2 4.42Å; Y105-I120 HydrophobicContact CD1-CG2 3.95Å; Y105-I120 HydrophobicContact CG-CG2 4.11Å; Y105-R121 CarbonylContact C-O 3.54Å; Y105-R121 WeakPolarHBondContact CA-O 3.21Å; Y105-Q122 HydrophobicContact CD1-CB 4.48Å; Y105-Q122 HydrophobicContact CE1-CB 4.45Å; Y105-T527 PolarHBondContact OH-OG1 2.98Å; Y105-L528 HydrophobicContact CD1-CD1 3.97Å; Y105-L528 HydrophobicContact CE1-CB 4.07Å; Y105-L528 HydrophobicContact CE1-CD1 3.7Å; Y105-L528 HydrophobicContact CE1-CG 4.41Å; Y105-L528 PolarHBondContact OH-N 3.37Å; Y105-I531 HydrophobicContact CD2-CB 4.27Å; Y105-I531 HydrophobicContact CD2-CG1 4.47Å; Y105-I531 HydrophobicContact CD2-CG2 3.78Å; Y105-I531 HydrophobicContact CE2-CG2 4.03Å; Y105-I531 HydrophobicContact CG-CG2 4.04Å
106	C	95.6	Very high	90.3	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.2	172.5	61.5	0	0	0	0	111	T80 N88 Y89 R121	T80-C106 HydrophobicContact CG2-CB 4.42Å; N88-C106 CarbonylContact O-C 3.59Å; N88-C106 WeakPolarHBondContact O-CA 3.17Å; N88-C106 WeakPolarHBondContact O-CB 3.44Å; Y89-C106 HydrophobicContact CD1-CB 3.86Å; Y89-C106 HydrophobicContact CE1-CB 4.03Å; C106-R121 PolarHBondContact N-O 2.83Å; C106-R121 PolarHBondContact O-N 3.4Å
107	W	94.3	Very high	90.3	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.1	174.1	52.7	95.2	0	0	0	110.5	N88 Y89 D119 I120 I531 T535 L538	N88-W107 HydrophobicContact CB-CD2 4.31Å; N88-W107 HydrophobicContact CB-CG 4.42Å; N88-W107 HydrophobicContact CB-CZ2 4.1Å; N88-W107 PolarHBondContact N-O 2.9Å; N88-W107 PolarHBondContact O-N 2.65Å; Y89-W107 VanDerWaalsContact C-CH2 3.49Å; Y89-W107 WeakPolarHBondContact O-CH2 3Å; W107-D119 WeakPolarHBondContact CA-O 3.47Å; W107-D119 VanDerWaalsContact CB-O 3.25Å; W107-D119 WeakPolarHBondContact CB-O 3.43Å; W107-I120 HydrophobicContact CB-CG1 4.3Å; W107-I120 HydrophobicContact CD2-CG1 4.25Å; W107-I120 HydrophobicContact CE3-CD1 4.32Å; W107-I120 HydrophobicContact CE3-CG1 3.97Å; W107-I120 HydrophobicContact CE3-CG2 4.19Å; W107-I120 HydrophobicContact CG-CG1 4.42Å; W107-I531 HydrophobicContact CH2-CD1 4.39Å; W107-I531 HydrophobicContact CH2-CG1 4.37Å; W107-I531 HydrophobicContact CZ3-CG1 4.09Å; W107-T535 HydrophobicContact CH2-CG2 4.17Å; W107-T535 HydrophobicContact CZ2-CG2 4.3Å; W107-L538 HydrophobicContact CZ2-CD1 3.72Å
108	P	93.4	Very high	90.5	Very high	52 Å²	52	39.1 Å²	39.1	34%	0.338	20%	0.196	S	C	.	.			trans	-70.4	174.1	171	33.2	-35.5	0	0	0	110.9	L87 D119	L87-P108 HydrophobicContact CD2-CB 4.34Å; P108-D119 WeakPolarHBondContact CD-O 3.32Å; P108-D119 HydrophobicContact CG-CB 4.37Å
109	R	89.8	Confident	90.8	Very high	156 Å²	156	39.4 Å²	39.4	59%	0.589	19%	0.194	S	C	*	.			trans	-55.2	140	167.9	-168.7	175	-173.2	171	2	110.6	N86 D542	N86-R109 PolarHBondContact O-N 3.08Å; R109-D542 IonicContact CZ-OD1 2.7Å; R109-D542 VanDerWaalsContact CZ-OD1 3.27Å; R109-D542 IonicContact NE-OD1 3.48Å; R109-D542 PolarHBondContact NE-OD1 3.47Å; R109-D542 IonicContact NH2-OD1 3.87Å; R109-D542 PolarHBondContact NH2-OD1 3.34Å
110	H	90.8	Very high	90.9	Very high	16 Å²	16	39.5 Å²	39.5	7%	0.074	19%	0.194	C	C	.	.			trans	-65.9	143.9	177.6	-171.5	-102	0	0	0	110.6	G112 N113 E116 L118 P539 D542	H110-G112 PolarHBondContact ND1-N 3.26Å; H110-G112 VanDerWaalsContact ND1-N 3.19Å; H110-G112 PolarHBondContact O-N 3.45Å; H110-N113 PolarHBondContact CE1-O 3.26Å; H110-E116 PolarHBondContact NE2-O 3.41Å; H110-L118 HydrophobicContact CB-CD2 4.17Å; H110-P539 HydrophobicContact CB-CB 4.45Å; H110-D542 HydrophobicContact CB-CB 4.13Å; H110-D542 PolarHBondContact N-OD2 3.45Å
111	N	85.9	Confident	90.6	Very high	100 Å²	100	43.7 Å²	43.7	54%	0.535	21%	0.21	S	C	.	.			trans	-77.8	-3.3	-174.5	65.4	7.5	0	0	0	114.4	N113 E116	N111-N113 WeakPolarHBondContact OD1-CB 3.48Å; N111-N113 PolarHBondContact OD1-N 3.2Å; N111-E116 VanDerWaalsContact ND2-CD 3.25Å; N111-E116 PolarHBondContact ND2-OE1 3.33Å; N111-E116 PolarHBondContact ND2-OE2 3.06Å
112	G	84.2	Confident	90.5	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	21%	0.206	C	C	.	.	S	Bend	trans	86.1	0.5	179.3	0	0	0	0	0	114.7	H110 P114	H110-G112 PolarHBondContact ND1-N 3.26Å; H110-G112 VanDerWaalsContact ND1-N 3.19Å; H110-G112 PolarHBondContact O-N 3.45Å; G112-P114 WeakPolarHBondContact O-CD 3.26Å
113	N	85.2	Confident	90.3	Very high	52 Å²	52	42.7 Å²	42.7	28%	0.278	21%	0.207	S	C	.	.			trans	-81.5	111.6	175.1	-177.7	-3.7	0	0	0	110.4	H110 N111 R115 E116	H110-N113 PolarHBondContact CE1-O 3.26Å; N111-N113 WeakPolarHBondContact OD1-CB 3.48Å; N111-N113 PolarHBondContact OD1-N 3.2Å; N113-R115 PolarHBondContact O-N 3.39Å; N113-R115 PolarHBondContact OD1-N 2.67Å; N113-R115 VanDerWaalsContact OD1-N 3.13Å; N113-E116 HydrophobicContact CB-CB 4.29Å; N113-E116 HydrophobicContact CB-CG 4.19Å; N113-E116 PolarHBondContact ND2-OE1 3.44Å; N113-E116 PolarHBondContact O-N 2.78Å
114	P	82	Confident	90.1	Very high	55 Å²	55	43.8 Å²	43.8	36%	0.357	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.4	-175.6	27.2	-36.1	0	0	0	114.3	G112 I543	G112-P114 WeakPolarHBondContact O-CD 3.26Å; P114-I543 HydrophobicContact CB-CD1 4.06Å
115	R	81.9	Confident	90	Very high	134 Å²	134	45.4 Å²	45.4	51%	0.506	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12	177.6	-52.9	-169.8	-165.4	-132.2	8.7	113.9	N113 H239 D315 H316	N113-R115 PolarHBondContact O-N 3.39Å; N113-R115 PolarHBondContact OD1-N 2.67Å; N113-R115 VanDerWaalsContact OD1-N 3.13Å; R115-H239 WeakPolarHBondContact CB-NE2 3.24Å; R115-D315 IonicContact NH1-OD2 3.89Å; R115-D315 PolarHBondContact NH1-OD2 3.34Å; R115-H316 PolarHBondContact O-NE2 3.19Å
116	E	86	Confident	89.8	Confident	80 Å²	80	52.9 Å²	52.9	37%	0.374	26%	0.255	S	S	.	.	S	Bend	trans	-93.8	150.6	178.7	-72.4	-179.8	-135.6	0	0	111.3	H110 N111 N113	H110-E116 PolarHBondContact NE2-O 3.41Å; N111-E116 VanDerWaalsContact ND2-CD 3.25Å; N111-E116 PolarHBondContact ND2-OE1 3.33Å; N111-E116 PolarHBondContact ND2-OE2 3.06Å; N113-E116 HydrophobicContact CB-CB 4.29Å; N113-E116 HydrophobicContact CB-CG 4.19Å; N113-E116 PolarHBondContact ND2-OE1 3.44Å; N113-E116 PolarHBondContact O-N 2.78Å
117	L	91.3	Very high	89.6	Confident	31 Å²	31	58.3 Å²	58.3	16%	0.162	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-93.9	165.3	174.3	-55.4	-177.9	0	0	0	109.4	D119 F237 L307 L532	L117-D119 PolarHBondContact O-N 2.97Å; L117-F237 HydrophobicContact CD1-CB 3.79Å; L117-F237 HydrophobicContact CD1-CD2 3.76Å; L117-F237 HydrophobicContact CD1-CG 4.05Å; L117-L307 HydrophobicContact CD1-CB 4.41Å; L117-L307 HydrophobicContact CD2-CB 4.22Å; L117-L307 WeakPolarHBondContact CD2-O 3.03Å; L117-L532 HydrophobicContact CB-CD1 4.42Å; L117-L532 HydrophobicContact CD1-CD2 4.31Å
118	L	91.2	Very high	89.4	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-58.9	134.4	171.3	-68.6	172.6	0	0	0	111	H110 I120 F232 L532 T535 L538 P539	H110-L118 HydrophobicContact CB-CD2 4.17Å; L118-I120 HydrophobicContact CB-CD1 4.22Å; L118-I120 HydrophobicContact CB-CG1 3.76Å; L118-I120 HydrophobicContact CD1-CD1 4.43Å; L118-I120 PolarHBondContact O-N 3.29Å; L118-F232 WeakPolarHBondContact O-CE2 3.43Å; L118-F232 WeakPolarHBondContact O-CZ 3.41Å; L118-L532 HydrophobicContact CB-CD1 4.48Å; L118-T535 WeakPolarHBondContact CD1-O 3.47Å; L118-T535 WeakPolarHBondContact CD1-OG1 3.47Å; L118-L538 HydrophobicContact CD1-CB 4.19Å; L118-L538 HydrophobicContact CD1-CD1 4.26Å; L118-P539 HydrophobicContact CD2-CG 3.84Å; L118-P539 HydrophobicContact CG-CG 3.89Å
119	D	90.8	Very high	89.2	Confident	64 Å²	64	69.1 Å²	69.1	34%	0.342	32%	0.317	S	S	.	.			trans	-79.7	70.9	173.4	-175.4	8	0	0	0	110.6	W107 P108 L117 R121	W107-D119 WeakPolarHBondContact CA-O 3.47Å; W107-D119 VanDerWaalsContact CB-O 3.25Å; W107-D119 WeakPolarHBondContact CB-O 3.43Å; P108-D119 WeakPolarHBondContact CD-O 3.32Å; P108-D119 HydrophobicContact CG-CB 4.37Å; L117-D119 PolarHBondContact O-N 2.97Å; D119-R121 IonicContact OD1-CZ 3.1Å; D119-R121 IonicContact OD1-NE 2.67Å; D119-R121 PolarHBondContact OD1-NE 2.99Å; D119-R121 IonicContact OD1-NH2 2.74Å; D119-R121 IonicContact OD2-CZ 2.74Å; D119-R121 IonicContact OD2-NE 3.79Å; D119-R121 PolarHBondContact OD2-NE 3.39Å; D119-R121 IonicContact OD2-NH2 2.82Å; D119-R121 PolarHBondContact OD2-NH2 3.48Å
120	I	91.8	Very high	89.2	Confident	2 Å²	2	64 Å²	64	1%	0.01	30%	0.304	C	S	.	.			trans	-75.9	127.9	179.2	-57	-175.6	0	0	0	110.3	Y105 W107 L118 F232 L528 I531 L532	Y105-I120 HydrophobicContact CD1-CG2 3.95Å; Y105-I120 HydrophobicContact CG-CG2 4.11Å; W107-I120 HydrophobicContact CB-CG1 4.3Å; W107-I120 HydrophobicContact CD2-CG1 4.25Å; W107-I120 HydrophobicContact CE3-CD1 4.32Å; W107-I120 HydrophobicContact CE3-CG1 3.97Å; W107-I120 HydrophobicContact CE3-CG2 4.19Å; W107-I120 HydrophobicContact CG-CG1 4.42Å; L118-I120 HydrophobicContact CB-CD1 4.22Å; L118-I120 HydrophobicContact CB-CG1 3.76Å; L118-I120 HydrophobicContact CD1-CD1 4.43Å; L118-I120 PolarHBondContact O-N 3.29Å; I120-F232 HydrophobicContact CB-CE1 4.39Å; I120-F232 HydrophobicContact CB-CZ 4.32Å; I120-F232 VanDerWaalsContact O-CE1 3.27Å; I120-F232 WeakPolarHBondContact O-CE1 3.49Å; I120-L528 HydrophobicContact CB-CD1 4.27Å; I120-L528 HydrophobicContact CG2-CD1 3.69Å; I120-I531 HydrophobicContact CD1-CG1 4.38Å; I120-I531 HydrophobicContact CD1-CG2 4.1Å; I120-I531 HydrophobicContact CG2-CG2 4.07Å; I120-L532 HydrophobicContact CD1-CB 4.1Å; I120-L532 HydrophobicContact CD1-CD1 3.69Å; I120-L532 HydrophobicContact CG1-CD1 4.18Å
121	R	89.6	Confident	89.3	Confident	88 Å²	88	63.3 Å²	63.3	33%	0.332	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.1	175.8	-55.2	-178.3	-173.5	179.8	6.2	109.6	D76 Y105 C106 D119 M123	D76-R121 VanDerWaalsContact CG-NH1 3.31Å; D76-R121 IonicContact OD1-NH1 3.23Å; D76-R121 IonicContact OD2-CZ 2.69Å; D76-R121 IonicContact OD2-NE 3.53Å; D76-R121 IonicContact OD2-NH1 2.74Å; D76-R121 PolarHBondContact OD2-NH1 3.01Å; Y105-R121 CarbonylContact C-O 3.54Å; Y105-R121 WeakPolarHBondContact CA-O 3.21Å; C106-R121 PolarHBondContact N-O 2.83Å; C106-R121 PolarHBondContact O-N 3.4Å; D119-R121 IonicContact OD1-CZ 3.1Å; D119-R121 IonicContact OD1-NE 2.67Å; D119-R121 PolarHBondContact OD1-NE 2.99Å; D119-R121 IonicContact OD1-NH2 2.74Å; D119-R121 IonicContact OD2-CZ 2.74Å; D119-R121 IonicContact OD2-NE 3.79Å; D119-R121 PolarHBondContact OD2-NE 3.39Å; D119-R121 IonicContact OD2-NH2 2.82Å; D119-R121 PolarHBondContact OD2-NH2 3.48Å; R121-M123 PolarHBondContact O-N 2.65Å
122	Q	91	Very high	89.6	Confident	16 Å²	16	60 Å²	60	8%	0.075	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.4	171.2	-173.2	167.9	41.3	0	0	108.7	Y105 P130	Y105-Q122 HydrophobicContact CD1-CB 4.48Å; Y105-Q122 HydrophobicContact CE1-CB 4.45Å; Q122-P130 HydrophobicContact CG-CB 3.93Å; Q122-P130 VanDerWaalsContact OE1-CB 3.26Å
123	M	93.3	Very high	90.1	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	29%	0.288	C	S	.	.			trans	-61.6	141.8	176.8	-175.2	177.9	-178.9	0	0	109.5	T80 T82 Y89 V104 R121 P130 V131 H163	T80-M123 HydrophobicContact CG2-CG 4.18Å; T82-M123 HydrophobicContact CG2-CE 3.59Å; Y89-M123 HydrophobicContact CD1-SD 4.07Å; Y89-M123 HydrophobicContact CE1-CE 4.11Å; Y89-M123 HydrophobicContact CE1-SD 3.97Å; V104-M123 HydrophobicContact CB-CB 4.02Å; V104-M123 HydrophobicContact CB-SD 4.28Å; V104-M123 HydrophobicContact CG1-CB 3.88Å; V104-M123 HydrophobicContact CG1-CG 4.33Å; V104-M123 HydrophobicContact CG1-SD 3.51Å; V104-M123 VanDerWaalsContact CG1-SD 3.51Å; V104-M123 WeakPolarHBondContact O-CB 3.39Å; V104-M123 PolarHBondContact O-N 3.33Å; R121-M123 PolarHBondContact O-N 2.65Å; M123-P130 WeakPolarHBondContact O-CA 3.5Å; M123-V131 HydrophobicContact CB-CB 4.23Å; M123-V131 HydrophobicContact CB-CG2 4.11Å; M123-V131 HydrophobicContact CG-CB 4.39Å; M123-V131 HydrophobicContact CG-CG2 3.81Å; M123-V131 PolarHBondContact O-N 2.78Å; M123-V131 HydrophobicContact SD-CG2 4.23Å; M123-H163 HydrophobicContact CE-CB 3.99Å; M123-H163 WeakPolarHBondContact CE-O 3.29Å; M123-H163 HydrophobicContact SD-CB 4.19Å
124	R	92.4	Very high	90.4	Very high	23 Å²	23	64.2 Å²	64.2	9%	0.087	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-117.1	135.7	174.6	-69.3	-172.8	178.4	-87.3	-10.8	110.7	L77 T80 R128 K129 D521	L77-R124 WeakPolarHBondContact O-CD 3.33Å; T80-R124 WeakPolarHBondContact CB-O 3.36Å; T80-R124 PolarHBondContact N-O 3.28Å; T80-R124 PolarHBondContact OG1-N 2.92Å; T80-R124 PolarHBondContact OG1-O 3.45Å; R124-R128 PolarHBondContact NH1-O 2.98Å; R124-K129 CarbonylContact C-O 3.51Å; R124-K129 VanDerWaalsContact CA-O 3.22Å; R124-K129 WeakPolarHBondContact CA-O 3.27Å; R124-D521 PolarHBondContact NH2-O 2.91Å
125	D	93.3	Very high	91	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.182	29%	0.286	C	S	.	.			trans	-71.6	177.1	174.5	71.7	9	0	0	0	111.8	A79 H127 R128 K129 V131	A79-D125 WeakPolarHBondContact CB-O 3.31Å; D125-H127 PolarHBondContact O-N 3.23Å; D125-H127 VanDerWaalsContact OD1-CA 3.23Å; D125-H127 WeakPolarHBondContact OD1-CA 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.39Å; D125-H127 PolarHBondContact OD1-N 2.84Å; D125-R128 PolarHBondContact O-N 3.17Å; D125-R128 PolarHBondContact OD1-N 3.47Å; D125-K129 PolarHBondContact N-O 2.98Å; D125-K129 PolarHBondContact OD1-N 2.75Å; D125-V131 HydrophobicContact CB-CG2 4.12Å
126	Q	92.8	Very high	91.5	Very high	159 Å²	159	64.1 Å²	64.1	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.4	175.8	65.1	-174.1	-5.4	0	0	114.3
127	H	91.4	Very high	91.9	Very high	124 Å²	124	63.7 Å²	63.7	57%	0.574	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	11.2	176.6	-57.2	-57.5	0	0	0	112.6	D125 K129	D125-H127 PolarHBondContact O-N 3.23Å; D125-H127 VanDerWaalsContact OD1-CA 3.23Å; D125-H127 WeakPolarHBondContact OD1-CA 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.39Å; D125-H127 PolarHBondContact OD1-N 2.84Å; H127-K129 HydrophobicContact CB-CG 4.33Å; H127-K129 PolarHBondContact O-N 3.37Å
128	R	89.5	Confident	91.9	Very high	153 Å²	153	62.3 Å²	62.3	58%	0.577	29%	0.292	S	S	*	.	S	Bend	trans	63.5	22	-178.6	-60.2	177	-68.2	180	-0.9	112.9	L77 R124 D125	L77-R128 WeakPolarHBondContact O-CB 3.28Å; L77-R128 WeakPolarHBondContact O-CD 3.34Å; L77-R128 WeakPolarHBondContact O-CG 3.45Å; R124-R128 PolarHBondContact NH1-O 2.98Å; D125-R128 PolarHBondContact O-N 3.17Å; D125-R128 PolarHBondContact OD1-N 3.47Å
129	K	88.7	Confident	92.2	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	29%	0.29	S	S	*	.			trans	-94.3	142.4	176.9	-63.4	-61.8	-176.1	-179.4	0	110.2	R124 D125 H127 V131	R124-K129 CarbonylContact C-O 3.51Å; R124-K129 VanDerWaalsContact CA-O 3.22Å; R124-K129 WeakPolarHBondContact CA-O 3.27Å; D125-K129 PolarHBondContact N-O 2.98Å; D125-K129 PolarHBondContact OD1-N 2.75Å; H127-K129 HydrophobicContact CB-CG 4.33Å; H127-K129 PolarHBondContact O-N 3.37Å; K129-V131 PolarHBondContact O-N 3.47Å
130	P	89.8	Confident	92.4	Very high	49 Å²	49	59.7 Å²	59.7	32%	0.318	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-60.3	132.6	175.5	26.8	-33.9	0	0	0	110	Q122 M123 V132	Q122-P130 HydrophobicContact CG-CB 3.93Å; Q122-P130 VanDerWaalsContact OE1-CB 3.26Å; M123-P130 WeakPolarHBondContact O-CA 3.5Å; P130-V132 VanDerWaalsContact C-N 3.31Å; P130-V132 HydrophobicContact CB-CG2 4.33Å; P130-V132 PolarHBondContact O-N 3.1Å
131	V	93.5	Very high	92.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	31%	0.31	C	S	.	.			trans	-76.9	87.2	178.8	-175.6	0	0	0	0	108.6	V104 M123 D125 K129 F159 H163	V104-V131 HydrophobicContact CB-CB 4.08Å; V104-V131 HydrophobicContact CB-CG1 3.94Å; V104-V131 HydrophobicContact CG2-CB 4.17Å; V104-V131 HydrophobicContact CG2-CG1 3.5Å; V104-V131 PolarHBondContact N-O 3.35Å; M123-V131 HydrophobicContact CB-CB 4.23Å; M123-V131 HydrophobicContact CB-CG2 4.11Å; M123-V131 HydrophobicContact CG-CB 4.39Å; M123-V131 HydrophobicContact CG-CG2 3.81Å; M123-V131 PolarHBondContact O-N 2.78Å; M123-V131 HydrophobicContact SD-CG2 4.23Å; D125-V131 HydrophobicContact CB-CG2 4.12Å; K129-V131 PolarHBondContact O-N 3.47Å; V131-F159 HydrophobicContact CG1-CD1 4.46Å; V131-F159 HydrophobicContact CG1-CE1 3.52Å; V131-F159 HydrophobicContact CG1-CZ 3.76Å; V131-H163 HydrophobicContact CG1-CB 3.98Å
132	V	92.6	Very high	93	Very high	31 Å²	31	63.1 Å²	63.1	19%	0.188	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134	178.7	179.3	0	0	0	0	108.8	V102 F103 P130 K134	V102-V132 WeakPolarHBondContact O-CA 3.25Å; F103-V132 HydrophobicContact CD1-CG1 4.2Å; F103-V132 HydrophobicContact CD1-CG2 3.62Å; F103-V132 HydrophobicContact CE1-CG1 3.91Å; F103-V132 HydrophobicContact CE1-CG2 3.92Å; F103-V132 HydrophobicContact CZ-CG1 4.37Å; P130-V132 VanDerWaalsContact C-N 3.31Å; P130-V132 HydrophobicContact CB-CG2 4.33Å; P130-V132 PolarHBondContact O-N 3.1Å; V132-K134 HydrophobicContact CG1-CG 4.22Å
133	M	93.5	Very high	93.2	Very high	62 Å²	62	63.2 Å²	63.2	31%	0.305	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.7	170	-179.8	178.4	-83.7	0	0	109.4	R101 V102 L156 F159	R101-M133 CarbonylContact C-O 3.55Å; R101-M133 VanDerWaalsContact CA-O 3.22Å; R101-M133 WeakPolarHBondContact CA-O 3.34Å; V102-M133 HydrophobicContact CG1-CB 4Å; V102-M133 PolarHBondContact N-O 3.23Å; V102-M133 PolarHBondContact O-N 3.27Å; M133-L156 HydrophobicContact CB-CD2 3.98Å; M133-L156 HydrophobicContact CG-CD2 3.75Å; M133-L156 HydrophobicContact SD-CD2 4.15Å; M133-F159 HydrophobicContact CB-CB 4.45Å; M133-F159 HydrophobicContact CB-CD1 3.51Å; M133-F159 HydrophobicContact CB-CD2 4.39Å; M133-F159 HydrophobicContact CB-CE1 3.71Å; M133-F159 HydrophobicContact CB-CG 3.87Å; M133-F159 HydrophobicContact CB-CZ 4.22Å; M133-F159 HydrophobicContact CE-CB 3.66Å; M133-F159 HydrophobicContact CE-CD1 4.41Å; M133-F159 HydrophobicContact CE-CD2 3.3Å; M133-F159 HydrophobicContact CE-CE2 3.98Å; M133-F159 HydrophobicContact CE-CG 3.54Å; M133-F159 HydrophobicContact CG-CG 4.49Å; M133-F159 HydrophobicContact SD-CB 3.63Å; M133-F159 HydrophobicContact SD-CD1 4.44Å; M133-F159 HydrophobicContact SD-CD2 4.27Å; M133-F159 HydrophobicContact SD-CG 3.88Å
134	K	92.5	Very high	93.3	Very high	100 Å²	100	72.3 Å²	72.3	44%	0.435	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.4	-179.5	-49.7	-169.4	176.1	-175	0	108.9	S100 R101 V132 E523	S100-K134 WeakPolarHBondContact O-CA 3.37Å; R101-K134 HydrophobicContact CB-CG 4.12Å; R101-K134 HydrophobicContact CG-CB 4.02Å; R101-K134 HydrophobicContact CG-CD 3.95Å; R101-K134 HydrophobicContact CG-CG 3.67Å; V132-K134 HydrophobicContact CG1-CG 4.22Å; K134-E523 IonicContact NZ-OE1 2.98Å; K134-E523 PolarHBondContact NZ-OE1 2.8Å; K134-E523 IonicContact NZ-OE2 3.47Å
135	I	94.6	Very high	93.6	Very high	34 Å²	34	73.4 Å²	73.4	17%	0.174	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159	174.8	59.6	172.6	0	0	0	110.3	G99 S100 Y152 L156	G99-I135 CarbonylContact C-O 3.53Å; G99-I135 WeakPolarHBondContact CA-O 3.48Å; S100-I135 PolarHBondContact N-O 3.33Å; S100-I135 VanDerWaalsContact N-O 3.1Å; S100-I135 PolarHBondContact O-N 2.93Å; I135-Y152 HydrophobicContact CD1-CD1 4.38Å; I135-Y152 HydrophobicContact CD1-CD2 3.95Å; I135-Y152 HydrophobicContact CD1-CE1 3.98Å; I135-Y152 HydrophobicContact CD1-CE2 3.5Å; I135-Y152 HydrophobicContact CD1-CG 4.35Å; I135-Y152 VanDerWaalsContact CD1-CZ 3.49Å; I135-Y152 WeakPolarHBondContact CD1-O 3.46Å; I135-Y152 HydrophobicContact CG1-CE2 3.98Å; I135-L156 HydrophobicContact CD1-CD1 3.83Å; I135-L156 HydrophobicContact CD1-CD2 4.28Å; I135-L156 HydrophobicContact CD1-CG 3.79Å; I135-L156 HydrophobicContact CG1-CD1 3.96Å; I135-L156 HydrophobicContact CG1-CD2 4.03Å; I135-L156 HydrophobicContact CG1-CG 4.04Å; I135-L156 HydrophobicContact CG2-CD2 3.89Å; I135-L156 HydrophobicContact CG2-CG 4.44Å
136	K	92.8	Very high	93.8	Very high	154 Å²	154	73.2 Å²	73.2	67%	0.67	35%	0.353	S	S	*	.	S	Bend	trans	-133.9	153	177.2	-68.5	-169.5	176	177.8	0	109.1	S98	S98-K136 WeakPolarHBondContact O-CG 3.2Å
137	P	92.9	Very high	94	Very high	71 Å²	71	71 Å²	71	46%	0.461	34%	0.342	S	S	.	.	S	Bend	cis	-77.3	-168.6	0.3	36.8	-38.5	0	0	0	112.2	E141 Y152	P137-E141 HydrophobicContact CB-CB 4.49Å; P137-E141 HydrophobicContact CB-CG 3.82Å; P137-E141 HydrophobicContact CG-CB 4.13Å; P137-E141 HydrophobicContact CG-CG 4.01Å; P137-Y152 WeakPolarHBondContact O-CE2 3.39Å; P137-Y152 VanDerWaalsContact O-CZ 3.28Å; P137-Y152 PolarHBondContact O-OH 2.96Å
138	G	92.9	Very high	94.3	Very high	2 Å²	2	70 Å²	70	2%	0.021	34%	0.336	C	S	.	.			trans	-75.3	153.6	173.7	0	0	0	0	0	112.5	G96 A140 E141	G96-G138 WeakPolarHBondContact O-CA 3.47Å; G138-A140 PolarHBondContact O-N 2.77Å; G138-A140 VanDerWaalsContact O-N 3.09Å; G138-E141 WeakPolarHBondContact O-CB 3.41Å; G138-E141 WeakPolarHBondContact O-CG 3.29Å; G138-E141 PolarHBondContact O-N 2.84Å; G138-E141 VanDerWaalsContact O-N 3.08Å
139	I	96.6	Very high	94.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26.7	-174.8	-159.5	172.1	0	0	0	113.6	C95 E141 L142 A149 Y152 I153 M182 I193 L197	C95-I139 HydrophobicContact CB-CG2 3.81Å; I139-E141 PolarHBondContact O-N 3.49Å; I139-E141 VanDerWaalsContact O-N 3.16Å; I139-L142 HydrophobicContact CG1-CD1 4.13Å; I139-L142 VanDerWaalsContact O-CB 3.31Å; I139-L142 WeakPolarHBondContact O-CB 3.34Å; I139-L142 PolarHBondContact O-N 2.67Å; I139-A149 HydrophobicContact CD1-CB 4.46Å; I139-Y152 HydrophobicContact CB-CD1 4.31Å; I139-Y152 HydrophobicContact CB-CE1 3.8Å; I139-Y152 HydrophobicContact CD1-CD1 4.33Å; I139-Y152 HydrophobicContact CD1-CE1 4.42Å; I139-Y152 HydrophobicContact CG1-CD1 3.93Å; I139-Y152 HydrophobicContact CG1-CE1 3.94Å; I139-I153 HydrophobicContact CD1-CD1 4.21Å; I139-I153 HydrophobicContact CD1-CG1 4.15Å; I139-M182 HydrophobicContact CG2-CG 3.77Å; I139-M182 HydrophobicContact CG2-SD 3.88Å; I139-I193 HydrophobicContact CD1-CG2 3.82Å; I139-I193 HydrophobicContact CG1-CG2 4.05Å; I139-L197 HydrophobicContact CD1-CD1 3.96Å
140	A	95.7	Very high	95.1	Very high	14 Å²	14	56.7 Å²	56.7	12%	0.116	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-63.4	-19.4	179	0	0	0	0	0	113.6	G138 L142 A143 G181 M182 L185	G138-A140 PolarHBondContact O-N 2.77Å; G138-A140 VanDerWaalsContact O-N 3.09Å; A140-L142 PolarHBondContact O-N 2.79Å; A140-A143 WeakPolarHBondContact O-CB 3.45Å; A140-A143 PolarHBondContact O-N 3.45Å; A140-G181 VanDerWaalsContact CB-O 3.25Å; A140-G181 WeakPolarHBondContact CB-O 3.31Å; A140-M182 HydrophobicContact CB-CG 4.5Å; A140-M182 HydrophobicContact CB-SD 4.15Å; A140-L185 HydrophobicContact CB-CD1 4.04Å; A140-L185 HydrophobicContact CB-CG 4.4Å
141	E	95.9	Very high	95.5	Very high	137 Å²	137	60.1 Å²	60.1	64%	0.64	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.4	172.7	-63.4	-57.8	143.2	0	0	112.6	P137 G138 I139 A143	P137-E141 HydrophobicContact CB-CB 4.49Å; P137-E141 HydrophobicContact CB-CG 3.82Å; P137-E141 HydrophobicContact CG-CB 4.13Å; P137-E141 HydrophobicContact CG-CG 4.01Å; G138-E141 WeakPolarHBondContact O-CB 3.41Å; G138-E141 WeakPolarHBondContact O-CG 3.29Å; G138-E141 PolarHBondContact O-N 2.84Å; G138-E141 VanDerWaalsContact O-N 3.08Å; I139-E141 PolarHBondContact O-N 3.49Å; I139-E141 VanDerWaalsContact O-N 3.16Å; E141-A143 PolarHBondContact O-N 3.15Å
142	L	96.7	Very high	95.7	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.131	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-82.9	8.8	177	-54.1	179.6	0	0	0	113	I139 A140 K144 T145 P146 A149 Y152 I193	I139-L142 HydrophobicContact CG1-CD1 4.13Å; I139-L142 VanDerWaalsContact O-CB 3.31Å; I139-L142 WeakPolarHBondContact O-CB 3.34Å; I139-L142 PolarHBondContact O-N 2.67Å; A140-L142 PolarHBondContact O-N 2.79Å; L142-K144 PolarHBondContact O-N 3.24Å; L142-T145 CarbonylContact O-C 3.56Å; L142-T145 PolarHBondContact O-N 2.95Å; L142-P146 VanDerWaalsContact O-N 3.16Å; L142-A149 HydrophobicContact CD1-CB 4.33Å; L142-Y152 HydrophobicContact CD1-CD1 4.06Å; L142-Y152 HydrophobicContact CD1-CG 3.92Å; L142-I193 HydrophobicContact CB-CD1 4.46Å
143	A	95.8	Very high	96	Very high	18 Å²	18	60.2 Å²	60.2	15%	0.149	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-52	-24.9	178.5	0	0	0	0	0	114.5	A140 E141 L185	A140-A143 WeakPolarHBondContact O-CB 3.45Å; A140-A143 PolarHBondContact O-N 3.45Å; E141-A143 PolarHBondContact O-N 3.15Å; A143-L185 HydrophobicContact CB-CD1 3.88Å; A143-L185 HydrophobicContact CB-CD2 3.86Å
144	K	96.6	Very high	96.2	Very high	194 Å²	194	60.2 Å²	60.2	84%	0.843	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-100.2	-10.4	177.9	-64.5	-177.4	-179.4	176.4	0	114.2	L142	L142-K144 PolarHBondContact O-N 3.24Å
145	T	97.4	Very high	96.5	Very high	45 Å²	45	58.3 Å²	58.3	28%	0.276	30%	0.295	S	S	.	.			trans	-140.7	62	-179	56.7	0	0	0	0	109.3	L142 E147 K148	L142-T145 CarbonylContact O-C 3.56Å; L142-T145 PolarHBondContact O-N 2.95Å; T145-E147 WeakPolarHBondContact CA-OE2 3.45Å; T145-E147 WeakPolarHBondContact CB-OE1 3.4Å; T145-E147 PolarHBondContact O-N 3.41Å; T145-K148 PolarHBondContact O-N 3.02Å
146	P	97.5	Very high	96.7	Very high	31 Å²	31	56.7 Å²	56.7	20%	0.201	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.6	-175.4	25.8	-35.4	0	0	0	113.1	L142 K148 A149 A192 I193 D196	L142-P146 VanDerWaalsContact O-N 3.16Å; P146-K148 PolarHBondContact O-N 3.05Å; P146-A149 VanDerWaalsContact O-CB 3.27Å; P146-A149 WeakPolarHBondContact O-CB 3.17Å; P146-A149 PolarHBondContact O-N 2.79Å; P146-A192 HydrophobicContact CB-CB 3.81Å; P146-A192 HydrophobicContact CG-CB 3.94Å; P146-I193 HydrophobicContact CB-CG1 3.85Å; P146-D196 WeakPolarHBondContact O-CB 3.49Å
147	E	97	Very high	97	Very high	111 Å²	111	49.4 Å²	49.4	52%	0.519	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-65	-3.7	177.9	73.7	-71.3	167.2	0	0	114.7	T145 D196	T145-E147 WeakPolarHBondContact CA-OE2 3.45Å; T145-E147 WeakPolarHBondContact CB-OE1 3.4Å; T145-E147 PolarHBondContact O-N 3.41Å; E147-D196 WeakPolarHBondContact CA-OD1 3.46Å
148	K	97.6	Very high	97.2	Very high	104 Å²	104	47.7 Å²	47.7	45%	0.452	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-106.2	5.5	176.2	-62	-173.7	178.7	-179.3	0	112.6	T145 P146 S150 Y152	T145-K148 PolarHBondContact O-N 3.02Å; P146-K148 PolarHBondContact O-N 3.05Å; K148-S150 VanDerWaalsContact C-N 3.33Å; K148-Y152 WeakPolarHBondContact O-CB 3.44Å; K148-Y152 PolarHBondContact O-N 2.88Å
149	A	97.9	Very high	97.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-42.2	-176.6	0	0	0	0	0	111.3	I139 L142 P146 Y152 I153 I193 D196 L197	I139-A149 HydrophobicContact CD1-CB 4.46Å; L142-A149 HydrophobicContact CD1-CB 4.33Å; P146-A149 VanDerWaalsContact O-CB 3.27Å; P146-A149 WeakPolarHBondContact O-CB 3.17Å; P146-A149 PolarHBondContact O-N 2.79Å; A149-Y152 PolarHBondContact O-N 3.09Å; A149-I153 WeakPolarHBondContact O-CG1 3.3Å; A149-I153 PolarHBondContact O-N 3.45Å; A149-I193 HydrophobicContact CB-CG2 3.86Å; A149-D196 HydrophobicContact CB-CB 4.22Å; A149-D196 WeakPolarHBondContact CB-OD2 3.17Å; A149-D196 PolarHBondContact N-OD2 3.09Å; A149-L197 HydrophobicContact CB-CD2 3.99Å; A149-L197 HydrophobicContact CB-CG 4.07Å
150	S	97.6	Very high	97.5	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-45.4	179.2	-56.2	0	0	0	0	112	K148 Y152 I153 D154 D196 D200	K148-S150 VanDerWaalsContact C-N 3.33Å; S150-Y152 PolarHBondContact O-N 3.35Å; S150-I153 CarbonylContact O-C 3.13Å; S150-I153 PolarHBondContact O-N 2.84Å; S150-D154 PolarHBondContact O-N 3.04Å; S150-D196 WeakPolarHBondContact CB-OD2 3.39Å; S150-D196 PolarHBondContact N-OD2 3.23Å; S150-D196 PolarHBondContact OG-O 2.9Å; S150-D196 PolarHBondContact OG-OD2 2.98Å; S150-D200 WeakPolarHBondContact CB-OD2 3.29Å; S150-D200 WeakPolarHBondContact OG-CB 3.44Å
151	D	97.9	Very high	97.7	Very high	120 Å²	120	49.5 Å²	49.5	64%	0.642	25%	0.254	S	S	*	.	H	α-helix	trans	-54.9	-39.9	171.8	-78.3	-18.1	0	0	0	112.5	P155	D151-P155 WeakPolarHBondContact O-CD 3.35Å
152	Y	98.3	Very high	97.7	Very high	34 Å²	34	50.3 Å²	50.3	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-35.7	178.1	164.3	-97.4	0	0	0	112.2	S100 I135 P137 I139 L142 K148 A149 S150 P155	S100-Y152 WeakPolarHBondContact CB-OH 3.22Å; S100-Y152 PolarHBondContact N-OH 3.35Å; S100-Y152 VanDerWaalsContact N-OH 3.12Å; S100-Y152 WeakPolarHBondContact OG-CE1 3.47Å; S100-Y152 PolarHBondContact OG-OH 2.86Å; I135-Y152 HydrophobicContact CD1-CD1 4.38Å; I135-Y152 HydrophobicContact CD1-CD2 3.95Å; I135-Y152 HydrophobicContact CD1-CE1 3.98Å; I135-Y152 HydrophobicContact CD1-CE2 3.5Å; I135-Y152 HydrophobicContact CD1-CG 4.35Å; I135-Y152 VanDerWaalsContact CD1-CZ 3.49Å; I135-Y152 WeakPolarHBondContact CD1-O 3.46Å; I135-Y152 HydrophobicContact CG1-CE2 3.98Å; P137-Y152 WeakPolarHBondContact O-CE2 3.39Å; P137-Y152 VanDerWaalsContact O-CZ 3.28Å; P137-Y152 PolarHBondContact O-OH 2.96Å; I139-Y152 HydrophobicContact CB-CD1 4.31Å; I139-Y152 HydrophobicContact CB-CE1 3.8Å; I139-Y152 HydrophobicContact CD1-CD1 4.33Å; I139-Y152 HydrophobicContact CD1-CE1 4.42Å; I139-Y152 HydrophobicContact CG1-CD1 3.93Å; I139-Y152 HydrophobicContact CG1-CE1 3.94Å; L142-Y152 HydrophobicContact CD1-CD1 4.06Å; L142-Y152 HydrophobicContact CD1-CG 3.92Å; K148-Y152 WeakPolarHBondContact O-CB 3.44Å; K148-Y152 PolarHBondContact O-N 2.88Å; A149-Y152 PolarHBondContact O-N 3.09Å; S150-Y152 PolarHBondContact O-N 3.35Å; Y152-P155 WeakPolarHBondContact O-CD 3.37Å
153	I	98.2	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-84.3	-24.6	-179.9	-66	-60.1	0	0	0	112.8	V93 I139 A149 S150 P155 L156 L157 I176 L197	V93-I153 HydrophobicContact CG1-CD1 4.31Å; I139-I153 HydrophobicContact CD1-CD1 4.21Å; I139-I153 HydrophobicContact CD1-CG1 4.15Å; A149-I153 WeakPolarHBondContact O-CG1 3.3Å; A149-I153 PolarHBondContact O-N 3.45Å; S150-I153 CarbonylContact O-C 3.13Å; S150-I153 PolarHBondContact O-N 2.84Å; I153-P155 VanDerWaalsContact C-CD 3.46Å; I153-L156 HydrophobicContact CD1-CD1 4.23Å; I153-L156 VanDerWaalsContact O-CB 3.32Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.13Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CD2 4.31Å; I153-L157 HydrophobicContact CG2-CG 3.76Å; I153-L157 PolarHBondContact O-N 3.44Å; I153-I176 HydrophobicContact CG2-CD1 4.3Å; I153-L197 HydrophobicContact CB-CD2 4.16Å; I153-L197 HydrophobicContact CG1-CD2 3.8Å
154	D	98.3	Very high	97.8	Very high	62 Å²	62	50.7 Å²	50.7	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-47.9	-48	-177.6	178.8	-80.5	0	0	0	113.8	S150 L156 L157 S158 F205	S150-D154 PolarHBondContact O-N 3.04Å; D154-L156 PolarHBondContact O-N 2.81Å; D154-L156 VanDerWaalsContact O-N 3.08Å; D154-L157 PolarHBondContact O-N 3.02Å; D154-S158 VanDerWaalsContact O-CB 3.26Å; D154-S158 WeakPolarHBondContact O-CB 3.44Å; D154-S158 PolarHBondContact O-N 3.48Å; D154-S158 PolarHBondContact O-OG 2.84Å; D154-S158 PolarHBondContact OD1-OG 3.02Å; D154-S158 VanDerWaalsContact OD1-OG 3.05Å; D154-F205 WeakPolarHBondContact OD2-CZ 3.02Å
155	P	98.5	Very high	97.9	Very high	60 Å²	60	42.7 Å²	42.7	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-57	-33.8	-178.8	-26	35.3	0	0	0	113.2	D151 Y152 I153 F159	D151-P155 WeakPolarHBondContact O-CD 3.35Å; Y152-P155 WeakPolarHBondContact O-CD 3.37Å; I153-P155 VanDerWaalsContact C-CD 3.46Å; P155-F159 VanDerWaalsContact O-CB 3.27Å; P155-F159 WeakPolarHBondContact O-CB 3.43Å; P155-F159 PolarHBondContact O-N 3.23Å
156	L	98.6	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-45.3	177.4	-62.5	-178.8	0	0	0	111.7	V93 V102 M133 I135 I153 D154 F159 A160	V93-L156 HydrophobicContact CG1-CD1 3.98Å; V102-L156 HydrophobicContact CB-CB 4Å; V102-L156 HydrophobicContact CB-CD2 4.49Å; V102-L156 HydrophobicContact CG1-CB 3.94Å; V102-L156 HydrophobicContact CG1-CD2 4.05Å; M133-L156 HydrophobicContact CB-CD2 3.98Å; M133-L156 HydrophobicContact CG-CD2 3.75Å; M133-L156 HydrophobicContact SD-CD2 4.15Å; I135-L156 HydrophobicContact CD1-CD1 3.83Å; I135-L156 HydrophobicContact CD1-CD2 4.28Å; I135-L156 HydrophobicContact CD1-CG 3.79Å; I135-L156 HydrophobicContact CG1-CD1 3.96Å; I135-L156 HydrophobicContact CG1-CD2 4.03Å; I135-L156 HydrophobicContact CG1-CG 4.04Å; I135-L156 HydrophobicContact CG2-CD2 3.89Å; I135-L156 HydrophobicContact CG2-CG 4.44Å; I153-L156 HydrophobicContact CD1-CD1 4.23Å; I153-L156 VanDerWaalsContact O-CB 3.32Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.13Å; D154-L156 PolarHBondContact O-N 2.81Å; D154-L156 VanDerWaalsContact O-N 3.08Å; L156-F159 PolarHBondContact O-N 3.04Å; L156-A160 PolarHBondContact O-N 3.47Å
157	L	98.5	Very high	97.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-72	-39.8	-178.7	-59.9	-174.5	0	0	0	111.4	V93 I153 D154 F159 A160 A161 L174 I201 F205	V93-L157 HydrophobicContact CG2-CD2 4.03Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CD2 4.31Å; I153-L157 HydrophobicContact CG2-CG 3.76Å; I153-L157 PolarHBondContact O-N 3.44Å; D154-L157 PolarHBondContact O-N 3.02Å; L157-F159 VanDerWaalsContact C-N 3.34Å; L157-F159 PolarHBondContact O-N 2.74Å; L157-A160 PolarHBondContact O-N 2.83Å; L157-A161 VanDerWaalsContact O-CB 3.31Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 3.38Å; L157-L174 HydrophobicContact CD1-CD2 4.05Å; L157-L174 HydrophobicContact CD2-CD1 3.71Å; L157-L174 HydrophobicContact CD2-CD2 3.82Å; L157-L174 HydrophobicContact CD2-CG 4.45Å; L157-I201 HydrophobicContact CD1-CD1 3.92Å; L157-I201 HydrophobicContact CD1-CG1 4.06Å; L157-I201 HydrophobicContact CD1-CG2 4.02Å; L157-F205 HydrophobicContact CB-CD1 4.07Å; L157-F205 HydrophobicContact CB-CD2 4.16Å; L157-F205 HydrophobicContact CB-CE1 3.62Å; L157-F205 HydrophobicContact CB-CE2 3.72Å; L157-F205 HydrophobicContact CB-CG 4.33Å; L157-F205 HydrophobicContact CB-CZ 3.44Å; L157-F205 VanDerWaalsContact CB-CZ 3.44Å; L157-F205 HydrophobicContact CD1-CD2 3.84Å; L157-F205 HydrophobicContact CD1-CE2 3.84Å; L157-F205 HydrophobicContact CD1-CG 4.44Å; L157-F205 HydrophobicContact CD1-CZ 4.44Å; L157-F205 HydrophobicContact CG-CE2 4.43Å
158	S	98.4	Very high	97.8	Very high	35 Å²	35	51.1 Å²	51.1	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-45.7	171.4	-76.7	0	0	0	0	111.3	D154 A161 Q162	D154-S158 VanDerWaalsContact O-CB 3.26Å; D154-S158 WeakPolarHBondContact O-CB 3.44Å; D154-S158 PolarHBondContact O-N 3.48Å; D154-S158 PolarHBondContact O-OG 2.84Å; D154-S158 PolarHBondContact OD1-OG 3.02Å; D154-S158 VanDerWaalsContact OD1-OG 3.05Å; S158-A161 PolarHBondContact O-N 3.26Å; S158-Q162 VanDerWaalsContact O-CG 3.26Å; S158-Q162 WeakPolarHBondContact O-CG 3.36Å; S158-Q162 PolarHBondContact O-N 3.02Å; S158-Q162 VanDerWaalsContact O-N 3.11Å
159	F	98.4	Very high	97.8	Very high	34 Å²	34	47.2 Å²	47.2	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-46.4	173.9	169.5	-99.2	0	0	0	112.5	V102 V131 M133 P155 L156 L157 Q162 H163	V102-F159 HydrophobicContact CG1-CD1 3.94Å; V102-F159 HydrophobicContact CG1-CE1 4.46Å; V131-F159 HydrophobicContact CG1-CD1 4.46Å; V131-F159 HydrophobicContact CG1-CE1 3.52Å; V131-F159 HydrophobicContact CG1-CZ 3.76Å; M133-F159 HydrophobicContact CB-CB 4.45Å; M133-F159 HydrophobicContact CB-CD1 3.51Å; M133-F159 HydrophobicContact CB-CD2 4.39Å; M133-F159 HydrophobicContact CB-CE1 3.71Å; M133-F159 HydrophobicContact CB-CG 3.87Å; M133-F159 HydrophobicContact CB-CZ 4.22Å; M133-F159 HydrophobicContact CE-CB 3.66Å; M133-F159 HydrophobicContact CE-CD1 4.41Å; M133-F159 HydrophobicContact CE-CD2 3.3Å; M133-F159 HydrophobicContact CE-CE2 3.98Å; M133-F159 HydrophobicContact CE-CG 3.54Å; M133-F159 HydrophobicContact CG-CG 4.49Å; M133-F159 HydrophobicContact SD-CB 3.63Å; M133-F159 HydrophobicContact SD-CD1 4.44Å; M133-F159 HydrophobicContact SD-CD2 4.27Å; M133-F159 HydrophobicContact SD-CG 3.88Å; P155-F159 VanDerWaalsContact O-CB 3.27Å; P155-F159 WeakPolarHBondContact O-CB 3.43Å; P155-F159 PolarHBondContact O-N 3.23Å; L156-F159 PolarHBondContact O-N 3.04Å; L157-F159 VanDerWaalsContact C-N 3.34Å; L157-F159 PolarHBondContact O-N 2.74Å; F159-Q162 PolarHBondContact O-N 2.9Å; F159-H163 AromaticContact CD2-CE1 3.66Å; F159-H163 AromaticContact CE2-CE1 3.24Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.35Å; F159-H163 AromaticContact CE2-ND1 3.94Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 PolarHBondContact O-ND1 3.11Å
160	A	98.1	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-43.9	178.3	0	0	0	0	0	112.3	L91 V102 V104 L156 L157 Q162 H163 I164	L91-A160 HydrophobicContact CD1-CB 4.05Å; L91-A160 HydrophobicContact CD2-CB 3.66Å; V102-A160 HydrophobicContact CG2-CB 4.18Å; V104-A160 HydrophobicContact CG2-CB 3.99Å; L156-A160 PolarHBondContact O-N 3.47Å; L157-A160 PolarHBondContact O-N 2.83Å; A160-Q162 VanDerWaalsContact C-N 3.26Å; A160-Q162 PolarHBondContact O-N 2.8Å; A160-H163 PolarHBondContact O-N 3.4Å; A160-H163 VanDerWaalsContact O-N 3.07Å; A160-I164 PolarHBondContact O-N 3.15Å; A160-I164 VanDerWaalsContact O-N 3.13Å
161	A	97.9	Very high	97.7	Very high	22 Å²	22	58.1 Å²	58.1	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-29.3	179.1	0	0	0	0	0	113.3	L157 S158 H163 H169 F205 F207	L157-A161 VanDerWaalsContact O-CB 3.31Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 3.38Å; S158-A161 PolarHBondContact O-N 3.26Å; A161-H163 VanDerWaalsContact C-N 3.33Å; A161-H169 PolarHBondContact O-CE1 3.14Å; A161-H169 PolarHBondContact O-NE2 3.29Å; A161-F205 HydrophobicContact CB-CD1 4.43Å; A161-F205 HydrophobicContact CB-CE1 4.42Å; A161-F207 HydrophobicContact CB-CE2 4.23Å; A161-F207 HydrophobicContact CB-CZ 3.82Å
162	Q	97.3	Very high	97.7	Very high	154 Å²	154	52.4 Å²	52.4	72%	0.72	26%	0.257	S	S	*	.	H	α-helix	trans	-68.5	-30.7	174	-73.4	168.7	19.8	0	0	112.8	S158 F159 A160	S158-Q162 VanDerWaalsContact O-CG 3.26Å; S158-Q162 WeakPolarHBondContact O-CG 3.36Å; S158-Q162 PolarHBondContact O-N 3.02Å; S158-Q162 VanDerWaalsContact O-N 3.11Å; F159-Q162 PolarHBondContact O-N 2.9Å; A160-Q162 VanDerWaalsContact C-N 3.26Å; A160-Q162 PolarHBondContact O-N 2.8Å
163	H	97.6	Very high	97.6	Very high	45 Å²	45	51.3 Å²	51.3	21%	0.208	25%	0.254	C	S	.	.	H	α-helix	trans	-86.4	-35.6	-178.3	-70.6	78.4	0	0	0	112.4	M123 V131 F159 A160 A161	M123-H163 HydrophobicContact CE-CB 3.99Å; M123-H163 WeakPolarHBondContact CE-O 3.29Å; M123-H163 HydrophobicContact SD-CB 4.19Å; V131-H163 HydrophobicContact CG1-CB 3.98Å; F159-H163 AromaticContact CD2-CE1 3.66Å; F159-H163 AromaticContact CE2-CE1 3.24Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.35Å; F159-H163 AromaticContact CE2-ND1 3.94Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 PolarHBondContact O-ND1 3.11Å; A160-H163 PolarHBondContact O-N 3.4Å; A160-H163 VanDerWaalsContact O-N 3.07Å; A161-H163 VanDerWaalsContact C-N 3.33Å
164	I	97.6	Very high	97.6	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-82.6	132.8	-177.4	-59.4	177.2	0	0	0	110.3	Y89 L91 V104 A160 K166 K168 H169 T172 F207	Y89-I164 HydrophobicContact CD1-CG1 4.17Å; Y89-I164 HydrophobicContact CD1-CG2 4.44Å; Y89-I164 HydrophobicContact CD2-CG2 4.02Å; Y89-I164 HydrophobicContact CG-CD1 4.46Å; Y89-I164 HydrophobicContact CG-CG1 4.33Å; Y89-I164 HydrophobicContact CG-CG2 3.98Å; L91-I164 HydrophobicContact CD1-CD1 4.28Å; L91-I164 HydrophobicContact CD2-CD1 3.75Å; L91-I164 HydrophobicContact CG-CD1 4.09Å; V104-I164 HydrophobicContact CG1-CD1 3.87Å; V104-I164 HydrophobicContact CG1-CG1 3.97Å; A160-I164 PolarHBondContact O-N 3.15Å; A160-I164 VanDerWaalsContact O-N 3.13Å; I164-K166 PolarHBondContact O-N 3Å; I164-K168 HydrophobicContact CG2-CB 3.88Å; I164-H169 PolarHBondContact O-NE2 2.97Å; I164-T172 HydrophobicContact CD1-CG2 3.82Å; I164-F207 HydrophobicContact CD1-CE1 4.19Å
165	P	97.4	Very high	97.6	Very high	26 Å²	26	49.2 Å²	49.2	17%	0.169	24%	0.242	C	C	.	.			trans	-52.9	134.6	173.4	-26.6	34.5	0	0	0	112.6	T82 Q167 K168 H169	T82-P165 VanDerWaalsContact O-CG 3.27Å; T82-P165 WeakPolarHBondContact O-CG 3.2Å; P165-Q167 PolarHBondContact O-N 3.15Å; P165-Q167 VanDerWaalsContact O-N 3.1Å; P165-K168 HydrophobicContact CB-CB 4.4Å; P165-K168 HydrophobicContact CB-CG 4.06Å; P165-K168 HydrophobicContact CG-CG 4.38Å; P165-K168 WeakPolarHBondContact O-CA 3.32Å; P165-K168 WeakPolarHBondContact O-CB 3.47Å; P165-K168 PolarHBondContact O-N 2.74Å; P165-H169 PolarHBondContact O-CD2 2.77Å
166	K	96.4	Very high	97.6	Very high	172 Å²	172	46.4 Å²	46.4	75%	0.748	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-55	-35.6	-176.1	-69.2	-170.5	177.3	-174.7	0	113.6	I164 K168 H169	I164-K166 PolarHBondContact O-N 3Å; K166-K168 PolarHBondContact O-N 3.38Å; K166-H169 PolarHBondContact O-N 3.16Å
167	Q	96.5	Very high	97.6	Very high	164 Å²	164	46.4 Å²	46.4	77%	0.766	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-67	-20.3	179	-57.9	81.6	4.3	0	0	112.7	P165	P165-Q167 PolarHBondContact O-N 3.15Å; P165-Q167 VanDerWaalsContact O-N 3.1Å
168	K	97.5	Very high	97.5	Very high	28 Å²	28	46.3 Å²	46.3	12%	0.122	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-92.5	-10.3	-178.5	-65.2	-74	-175.9	167.3	0	113.2	P85 L87 Y89 I164 P165 K166 Q170 E171 T172	P85-K168 WeakPolarHBondContact O-CE 3.39Å; P85-K168 PolarHBondContact O-NZ 3.06Å; L87-K168 WeakPolarHBondContact O-CE 3.22Å; L87-K168 PolarHBondContact O-NZ 2.88Å; Y89-K168 HydrophobicContact CD2-CB 3.94Å; Y89-K168 HydrophobicContact CD2-CD 4.35Å; Y89-K168 HydrophobicContact CD2-CG 4.1Å; Y89-K168 HydrophobicContact CE2-CB 4.15Å; Y89-K168 HydrophobicContact CE2-CD 4.23Å; Y89-K168 HydrophobicContact CE2-CG 3.85Å; I164-K168 HydrophobicContact CG2-CB 3.88Å; P165-K168 HydrophobicContact CB-CB 4.4Å; P165-K168 HydrophobicContact CB-CG 4.06Å; P165-K168 HydrophobicContact CG-CG 4.38Å; P165-K168 WeakPolarHBondContact O-CA 3.32Å; P165-K168 WeakPolarHBondContact O-CB 3.47Å; P165-K168 PolarHBondContact O-N 2.74Å; K166-K168 PolarHBondContact O-N 3.38Å; K168-Q170 PolarHBondContact O-N 3.09Å; K168-E171 HydrophobicContact CD-CG 4.17Å; K168-E171 WeakPolarHBondContact CD-OE1 3.49Å; K168-E171 VanDerWaalsContact CE-OE1 3.32Å; K168-E171 WeakPolarHBondContact CE-OE1 3.42Å; K168-E171 IonicContact NZ-OE1 2.72Å; K168-E171 PolarHBondContact NZ-OE1 2.85Å; K168-E171 VanDerWaalsContact O-CG 3.23Å; K168-E171 WeakPolarHBondContact O-CG 3.49Å; K168-E171 PolarHBondContact O-N 3.37Å; K168-T172 WeakPolarHBondContact O-CB 3.43Å; K168-T172 PolarHBondContact O-N 3.22Å; K168-T172 VanDerWaalsContact O-N 3.15Å; K168-T172 PolarHBondContact O-OG1 3.43Å
169	H	97.6	Very high	97.3	Very high	22 Å²	22	45 Å²	45	10%	0.102	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.9	-48.9	-175.8	-68.8	-174.2	0	0	0	111.5	A161 I164 P165 K166 E171 T172 N206 F207	A161-H169 PolarHBondContact O-CE1 3.14Å; A161-H169 PolarHBondContact O-NE2 3.29Å; I164-H169 PolarHBondContact O-NE2 2.97Å; P165-H169 PolarHBondContact O-CD2 2.77Å; K166-H169 PolarHBondContact O-N 3.16Å; H169-E171 PolarHBondContact O-N 3.26Å; H169-E171 VanDerWaalsContact O-N 3.15Å; H169-T172 WeakPolarHBondContact O-CB 3.22Å; H169-T172 PolarHBondContact O-N 2.83Å; H169-N206 CarbonylContact C-O 3.52Å; H169-N206 HydrophobicContact CB-CB 4.21Å; H169-F207 HydrophobicContact CB-CD1 4.21Å; H169-F207 HydrophobicContact CB-CE1 4.19Å; H169-F207 AromaticContact CD2-CE1 3.92Å; H169-F207 AromaticContact CG-CE1 3.99Å; H169-F207 WeakPolarHBondContact O-CA 3.14Å
170	Q	96.5	Very high	97	Very high	149 Å²	149	43.6 Å²	43.6	70%	0.696	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-64.5	-21.3	-176.8	-67.7	-179	-5.1	0	0	114.9	K168 N206	K168-Q170 PolarHBondContact O-N 3.09Å; Q170-N206 WeakPolarHBondContact CA-O 3.32Å; Q170-N206 HydrophobicContact CG-CB 4.26Å; Q170-N206 PolarHBondContact N-O 2.86Å
171	E	95.6	Very high	96.7	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-101.1	-5.1	176.9	61.5	176.5	-137	0	0	113.4	K168 H169 P173	K168-E171 HydrophobicContact CD-CG 4.17Å; K168-E171 WeakPolarHBondContact CD-OE1 3.49Å; K168-E171 VanDerWaalsContact CE-OE1 3.32Å; K168-E171 WeakPolarHBondContact CE-OE1 3.42Å; K168-E171 IonicContact NZ-OE1 2.72Å; K168-E171 PolarHBondContact NZ-OE1 2.85Å; K168-E171 VanDerWaalsContact O-CG 3.23Å; K168-E171 WeakPolarHBondContact O-CG 3.49Å; K168-E171 PolarHBondContact O-N 3.37Å; H169-E171 PolarHBondContact O-N 3.26Å; H169-E171 VanDerWaalsContact O-N 3.15Å; E171-P173 WeakPolarHBondContact O-CD 3.45Å
172	T	97.8	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-86.7	109.7	-178.7	-63.6	0	0	0	0	109.7	L91 I164 K168 H169 L174 F207 L208	L91-T172 HydrophobicContact CD1-CG2 4.22Å; L91-T172 HydrophobicContact CG-CG2 3.89Å; I164-T172 HydrophobicContact CD1-CG2 3.82Å; K168-T172 WeakPolarHBondContact O-CB 3.43Å; K168-T172 PolarHBondContact O-N 3.22Å; K168-T172 VanDerWaalsContact O-N 3.15Å; K168-T172 PolarHBondContact O-OG1 3.43Å; H169-T172 WeakPolarHBondContact O-CB 3.22Å; H169-T172 PolarHBondContact O-N 2.83Å; T172-L174 PolarHBondContact O-N 3.41Å; T172-F207 HydrophobicContact CG2-CD1 3.98Å; T172-F207 HydrophobicContact CG2-CE1 4.23Å; T172-L208 PolarHBondContact O-N 3.47Å
173	P	97.8	Very high	96.5	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.065	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-64.9	134.3	172.9	27.6	-36.1	0	0	0	111.5	Y89 L91 E171 Y175 L208	Y89-P173 WeakPolarHBondContact O-CD 3.37Å; L91-P173 PolarHBondContact N-O 3.34Å; E171-P173 WeakPolarHBondContact O-CD 3.45Å; P173-Y175 HydrophobicContact CB-CD2 4.47Å; P173-Y175 HydrophobicContact CB-CE2 3.69Å; P173-Y175 HydrophobicContact CG-CE2 4.16Å; P173-L208 WeakPolarHBondContact CA-O 3.25Å; P173-L208 HydrophobicContact CB-CD2 4.38Å
174	L	98.3	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.4	170.8	168.4	62.4	0	0	0	109.7	L91 V93 L157 T172 I176 I201 F207 L208 F209 H213	L91-L174 HydrophobicContact CB-CB 4.33Å; L91-L174 HydrophobicContact CB-CD1 3.62Å; L91-L174 HydrophobicContact CD1-CB 4.48Å; L91-L174 HydrophobicContact CD1-CD1 4.14Å; V93-L174 HydrophobicContact CG2-CD1 4.06Å; L157-L174 HydrophobicContact CD1-CD2 4.05Å; L157-L174 HydrophobicContact CD2-CD1 3.71Å; L157-L174 HydrophobicContact CD2-CD2 3.82Å; L157-L174 HydrophobicContact CD2-CG 4.45Å; T172-L174 PolarHBondContact O-N 3.41Å; L174-I176 HydrophobicContact CD1-CG1 4.21Å; L174-I176 HydrophobicContact CG-CG1 4.33Å; L174-I201 HydrophobicContact CD2-CG2 3.9Å; L174-F207 HydrophobicContact CB-CB 3.85Å; L174-F207 HydrophobicContact CB-CG 4.42Å; L174-F207 HydrophobicContact CD2-CB 4.39Å; L174-F207 HydrophobicContact CD2-CD2 4.14Å; L174-L208 PolarHBondContact N-O 2.8Å; L174-F209 HydrophobicContact CB-CD2 4.1Å; L174-F209 HydrophobicContact CD2-CD2 3.77Å; L174-F209 HydrophobicContact CD2-CE2 4.02Å; L174-F209 HydrophobicContact CG-CD2 3.84Å; L174-F209 HydrophobicContact CG-CE2 4.19Å; L174-H213 WeakPolarHBondContact O-CB 3.4Å; L174-H213 PolarHBondContact O-ND1 3.04Å
175	Y	98.4	Very high	96.1	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.075	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.6	172.6	-59.1	-76.2	0	0	0	110.4	L91 V92 V93 P173 H213 I531 R534	L91-Y175 PolarHBondContact O-N 2.85Å; V92-Y175 CarbonylContact C-O 3.54Å; V92-Y175 WeakPolarHBondContact CA-O 3.39Å; V92-Y175 HydrophobicContact CG2-CD2 4.39Å; V93-Y175 PolarHBondContact N-O 2.72Å; P173-Y175 HydrophobicContact CB-CD2 4.47Å; P173-Y175 HydrophobicContact CB-CE2 3.69Å; P173-Y175 HydrophobicContact CG-CE2 4.16Å; Y175-H213 CarbonylContact C-O 3.48Å; Y175-H213 WeakPolarHBondContact CA-O 3.3Å; Y175-H213 HydrophobicContact CD1-CB 4.01Å; Y175-H213 AromaticContact CD1-CD2 3.81Å; Y175-H213 AromaticContact CD1-CG 3.84Å; Y175-H213 HydrophobicContact CE1-CB 4.43Å; Y175-H213 AromaticContact CE1-CD2 3.36Å; Y175-H213 WeakPolarHBondContact CE1-CD2 3.38Å; Y175-H213 AromaticContact CE1-CE1 3.94Å; Y175-H213 AromaticContact CE1-CG 3.76Å; Y175-H213 AromaticContact CE1-NE2 3.47Å; Y175-H213 WeakPolarHBondContact CE1-NE2 3.34Å; Y175-I531 HydrophobicContact CD2-CD1 3.85Å; Y175-I531 HydrophobicContact CE2-CD1 3.64Å; Y175-R534 HydrophobicContact CD1-CG 4.5Å; Y175-R534 HydrophobicContact CE1-CB 4.13Å; Y175-R534 HydrophobicContact CE1-CG 4.19Å; Y175-R534 HydrophobicContact CE2-CB 3.99Å
176	I	98.3	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109.5	173	-55.8	179.7	0	0	0	108	V93 I153 L174 L197 I201 F209 H213 V214 E215	V93-I176 HydrophobicContact CB-CB 4.37Å; V93-I176 HydrophobicContact CB-CG1 4.06Å; V93-I176 HydrophobicContact CB-CG2 4.22Å; V93-I176 HydrophobicContact CG1-CG2 4.37Å; V93-I176 HydrophobicContact CG2-CG1 4.09Å; I153-I176 HydrophobicContact CG2-CD1 4.3Å; L174-I176 HydrophobicContact CD1-CG1 4.21Å; L174-I176 HydrophobicContact CG-CG1 4.33Å; I176-L197 HydrophobicContact CG2-CD1 4.25Å; I176-I201 HydrophobicContact CD1-CD1 3.24Å; I176-F209 HydrophobicContact CD1-CE2 4.01Å; I176-F209 HydrophobicContact CD1-CZ 4.46Å; I176-F209 HydrophobicContact CG1-CE2 4.33Å; I176-H213 PolarHBondContact N-O 3.42Å; I176-V214 HydrophobicContact CB-CG1 4.44Å; I176-V214 HydrophobicContact CB-CG2 4.23Å; I176-V214 HydrophobicContact CD1-CG2 4.43Å; I176-V214 WeakPolarHBondContact O-CA 3.13Å; I176-E215 PolarHBondContact O-N 2.93Å; I176-E215 VanDerWaalsContact O-N 3.14Å
177	L	97.8	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	107.4	-166.4	-59.4	-176.8	0	0	0	108.9	V92 V93 C95 E215 I217 W526 A530	V92-L177 HydrophobicContact CG1-CD1 3.97Å; V92-L177 HydrophobicContact CG1-CG 4.43Å; V93-L177 PolarHBondContact O-N 3.32Å; C95-L177 PolarHBondContact N-O 2.85Å; L177-E215 HydrophobicContact CD2-CG 3.63Å; L177-E215 WeakPolarHBondContact CD2-OE1 3.26Å; L177-I217 HydrophobicContact CB-CG2 4.11Å; L177-I217 HydrophobicContact CD2-CG2 3.94Å; L177-I217 HydrophobicContact CG-CG2 4.41Å; L177-W526 HydrophobicContact CB-CH2 3.54Å; L177-W526 HydrophobicContact CB-CZ3 3.85Å; L177-W526 HydrophobicContact CD1-CH2 4.26Å; L177-W526 HydrophobicContact CD1-CZ3 3.71Å; L177-W526 HydrophobicContact CG-CZ3 4.44Å; L177-A530 HydrophobicContact CD1-CB 3.85Å
178	C	96.8	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.5	-177.4	-69.9	0	0	0	0	111.6	C95 M182 E215 V216 I217	C95-C178 HydrophobicContact CB-CB 4.07Å; C95-C178 WeakPolarHBondContact CB-SG 3.37Å; C178-M182 HydrophobicContact CB-CB 3.87Å; C178-M182 HydrophobicContact CB-CG 3.66Å; C178-E215 PolarHBondContact N-O 2.9Å; C178-V216 HydrophobicContact CB-CB 4.37Å; C178-V216 HydrophobicContact CB-CG2 3.83Å; C178-V216 CarbonylContact O-C 3.12Å; C178-V216 WeakPolarHBondContact O-CA 3.42Å; C178-I217 WeakPolarHBondContact O-CG1 3.36Å; C178-I217 PolarHBondContact O-N 2.9Å
179	T	93.9	Very high	96.2	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.049	21%	0.214	C	C	.	.			trans	-109.4	-145.8	-173.2	64.2	0	0	0	0	112.8	C95 G96 G181 M182 R183 I217 E222 W526	C95-T179 PolarHBondContact O-N 3.34Å; C95-T179 VanDerWaalsContact O-N 3.12Å; C95-T179 PolarHBondContact O-OG1 3.32Å; G96-T179 WeakPolarHBondContact CA-OG1 3.37Å; T179-G181 PolarHBondContact O-N 3.47Å; T179-G181 VanDerWaalsContact O-N 3.11Å; T179-M182 PolarHBondContact O-N 2.86Å; T179-M182 VanDerWaalsContact O-N 3.1Å; T179-R183 PolarHBondContact O-N 3.09Å; T179-I217 HydrophobicContact CG2-CD1 4.14Å; T179-I217 HydrophobicContact CG2-CG1 4.21Å; T179-E222 HydrophobicContact CG2-CG 4.46Å; T179-W526 HydrophobicContact CG2-CH2 4Å; T179-W526 HydrophobicContact CG2-CZ2 3.44Å; T179-W526 VanDerWaalsContact CG2-CZ2 3.44Å
180	A	91.8	Very high	96.2	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-31.2	-170.5	0	0	0	0	0	114.5	M182 R183 I184 V275 S276 L326	A180-M182 VanDerWaalsContact C-N 3.34Å; A180-M182 PolarHBondContact O-N 3.15Å; A180-R183 PolarHBondContact O-N 3.34Å; A180-I184 PolarHBondContact O-N 3.45Å; A180-V275 HydrophobicContact CB-CB 3.84Å; A180-V275 HydrophobicContact CB-CG1 3.96Å; A180-S276 WeakPolarHBondContact CB-OG 3.28Å; A180-L326 HydrophobicContact CB-CD2 4.08Å
181	G	91.3	Very high	96.3	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-38.1	178.3	0	0	0	0	0	113.1	A140 T179 I184	A140-G181 VanDerWaalsContact CB-O 3.25Å; A140-G181 WeakPolarHBondContact CB-O 3.31Å; T179-G181 PolarHBondContact O-N 3.47Å; T179-G181 VanDerWaalsContact O-N 3.11Å; G181-I184 WeakPolarHBondContact O-CG1 3.44Å
182	M	96.1	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-79.6	-35.3	175.8	-73.3	-70.6	-74.6	0	0	111.6	I139 A140 C178 T179 A180 I184 L185 Q190 I193 L194 V216	I139-M182 HydrophobicContact CG2-CG 3.77Å; I139-M182 HydrophobicContact CG2-SD 3.88Å; A140-M182 HydrophobicContact CB-CG 4.5Å; A140-M182 HydrophobicContact CB-SD 4.15Å; C178-M182 HydrophobicContact CB-CB 3.87Å; C178-M182 HydrophobicContact CB-CG 3.66Å; T179-M182 PolarHBondContact O-N 2.86Å; T179-M182 VanDerWaalsContact O-N 3.1Å; A180-M182 VanDerWaalsContact C-N 3.34Å; A180-M182 PolarHBondContact O-N 3.15Å; M182-I184 PolarHBondContact O-N 2.97Å; M182-I184 VanDerWaalsContact O-N 3.12Å; M182-L185 WeakPolarHBondContact O-CB 3.29Å; M182-L185 PolarHBondContact O-N 3.22Å; M182-L185 HydrophobicContact SD-CD1 3.66Å; M182-Q190 HydrophobicContact CE-CB 4.23Å; M182-Q190 HydrophobicContact CE-CG 4.43Å; M182-Q190 VanDerWaalsContact O-CG 3.25Å; M182-Q190 WeakPolarHBondContact O-CG 3.19Å; M182-Q190 PolarHBondContact O-NE2 3.34Å; M182-Q190 VanDerWaalsContact O-NE2 3.15Å; M182-I193 HydrophobicContact CE-CB 3.84Å; M182-I193 HydrophobicContact CE-CD1 3.83Å; M182-I193 HydrophobicContact CE-CG1 4.42Å; M182-I193 HydrophobicContact CE-CG2 3.77Å; M182-I193 HydrophobicContact SD-CD1 3.8Å; M182-I193 HydrophobicContact SD-CG2 4.49Å; M182-L194 HydrophobicContact CE-CD2 4.23Å; M182-V216 HydrophobicContact CB-CG1 4.14Å; M182-V216 HydrophobicContact CB-CG2 3.74Å; M182-V216 HydrophobicContact CE-CG2 4.31Å
183	R	95.3	Very high	96.4	Very high	44 Å²	44	37 Å²	37	17%	0.166	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-26.4	178.9	-72.4	-172.5	-86.8	143.8	-5.8	114.3	T179 A180 V216 I217 E222	T179-R183 PolarHBondContact O-N 3.09Å; A180-R183 PolarHBondContact O-N 3.34Å; R183-V216 HydrophobicContact CB-CG1 4.47Å; R183-V216 HydrophobicContact CG-CG1 3.47Å; R183-V216 VanDerWaalsContact CG-CG1 3.47Å; R183-I217 WeakPolarHBondContact CD-O 3.45Å; R183-I217 PolarHBondContact NE-O 2.88Å; R183-E222 IonicContact CZ-OE2 3.42Å; R183-E222 IonicContact NH2-OE2 3.71Å; R183-E222 PolarHBondContact NH2-OE2 3.24Å
184	I	92.3	Very high	96.4	Very high	107 Å²	107	37 Å²	37	55%	0.549	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.7	178.9	60.2	163.8	0	0	0	113.4	A180 G181 M182 V275 L326	A180-I184 PolarHBondContact O-N 3.45Å; G181-I184 WeakPolarHBondContact O-CG1 3.44Å; M182-I184 PolarHBondContact O-N 2.97Å; M182-I184 VanDerWaalsContact O-N 3.12Å; I184-V275 HydrophobicContact CG2-CG1 4.07Å; I184-L326 HydrophobicContact CG2-CD2 4.3Å
185	L	95.1	Very high	96.4	Very high	29 Å²	29	41.2 Å²	41.2	15%	0.152	22%	0.219	C	C	.	.	S	Bend	trans	-77	154.4	177.2	-61.1	-178	0	0	0	110.8	A140 A143 M182 Q189 Q190 I193	A140-L185 HydrophobicContact CB-CD1 4.04Å; A140-L185 HydrophobicContact CB-CG 4.4Å; A143-L185 HydrophobicContact CB-CD1 3.88Å; A143-L185 HydrophobicContact CB-CD2 3.86Å; M182-L185 WeakPolarHBondContact O-CB 3.29Å; M182-L185 PolarHBondContact O-N 3.22Å; M182-L185 HydrophobicContact SD-CD1 3.66Å; L185-Q189 HydrophobicContact CB-CB 4.39Å; L185-Q190 HydrophobicContact CB-CG 3.91Å; L185-Q190 PolarHBondContact O-NE2 2.96Å; L185-I193 HydrophobicContact CD1-CD1 4.2Å
186	P	97.1	Very high	96.4	Very high	70 Å²	70	41.7 Å²	41.7	46%	0.455	22%	0.223	S	C	.	.			trans	-53.2	141.4	163.9	-22.9	33	0	0	0	111.7	S188 Q189 Q190	P186-S188 PolarHBondContact O-N 3.25Å; P186-Q189 HydrophobicContact CB-CG 4.46Å; P186-Q189 VanDerWaalsContact CD-OE1 3.29Å; P186-Q189 WeakPolarHBondContact O-CB 3.31Å; P186-Q189 PolarHBondContact O-N 3.18Å; P186-Q190 PolarHBondContact O-N 3.45Å
187	E	96.4	Very high	96.4	Very high	162 Å²	162	41.7 Å²	41.7	76%	0.757	22%	0.223	S	C	*	.	H	α-helix	trans	-55	-37	-177.9	-171.8	176.4	-166.5	0	0	112.7	Q189 Q190 E191	E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 2.95Å; E187-Q190 WeakPolarHBondContact O-CB 3.46Å; E187-Q190 PolarHBondContact O-N 3.12Å; E187-E191 WeakPolarHBondContact O-CB 3.44Å; E187-E191 PolarHBondContact O-N 3.5Å
188	S	97.6	Very high	96.3	Very high	93 Å²	93	43.5 Å²	43.5	65%	0.65	23%	0.229	S	C	*	.	H	α-helix	trans	-63.1	-34.9	175.6	56.8	0	0	0	0	113.6	P186 A192	P186-S188 PolarHBondContact O-N 3.25Å; S188-A192 WeakPolarHBondContact O-CB 3.2Å; S188-A192 PolarHBondContact O-N 3.21Å; S188-A192 VanDerWaalsContact O-N 3.12Å
189	Q	97.9	Very high	96.3	Very high	66 Å²	66	47.2 Å²	47.2	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-77.4	-36	175.8	-69.1	-179.5	-9.4	0	0	111.4	L185 P186 E187 I193	L185-Q189 HydrophobicContact CB-CB 4.39Å; P186-Q189 HydrophobicContact CB-CG 4.46Å; P186-Q189 VanDerWaalsContact CD-OE1 3.29Å; P186-Q189 WeakPolarHBondContact O-CB 3.31Å; P186-Q189 PolarHBondContact O-N 3.18Å; E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 2.95Å; Q189-I193 WeakPolarHBondContact O-CG1 3.33Å; Q189-I193 PolarHBondContact O-N 3.49Å
190	Q	98.1	Very high	96.4	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-54.6	172.5	-64.1	-178.9	41.4	0	0	109.6	M182 L185 P186 E187 A192 I193 L194 V216	M182-Q190 HydrophobicContact CE-CB 4.23Å; M182-Q190 HydrophobicContact CE-CG 4.43Å; M182-Q190 VanDerWaalsContact O-CG 3.25Å; M182-Q190 WeakPolarHBondContact O-CG 3.19Å; M182-Q190 PolarHBondContact O-NE2 3.34Å; M182-Q190 VanDerWaalsContact O-NE2 3.15Å; L185-Q190 HydrophobicContact CB-CG 3.91Å; L185-Q190 PolarHBondContact O-NE2 2.96Å; P186-Q190 PolarHBondContact O-N 3.45Å; E187-Q190 WeakPolarHBondContact O-CB 3.46Å; E187-Q190 PolarHBondContact O-N 3.12Å; Q190-A192 PolarHBondContact O-N 3.3Å; Q190-I193 PolarHBondContact O-N 3.39Å; Q190-L194 WeakPolarHBondContact O-CG 3.41Å; Q190-L194 PolarHBondContact O-N 2.95Å; Q190-V216 HydrophobicContact CB-CG2 4.45Å
191	E	97.7	Very high	96.7	Very high	87 Å²	87	49.4 Å²	49.4	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-37.9	-175.5	-173.1	59.3	-170.2	0	0	112.7	E187 I193 L194 E195 R198	E187-E191 WeakPolarHBondContact O-CB 3.44Å; E187-E191 PolarHBondContact O-N 3.5Å; E191-I193 VanDerWaalsContact C-N 3.3Å; E191-I193 PolarHBondContact O-N 3.44Å; E191-L194 PolarHBondContact O-N 2.8Å; E191-E195 VanDerWaalsContact O-CB 3.3Å; E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 PolarHBondContact O-N 2.93Å; E191-R198 IonicContact OE1-CZ 2.78Å; E191-R198 IonicContact OE1-NH1 3.72Å; E191-R198 PolarHBondContact OE1-NH1 3.38Å; E191-R198 IonicContact OE1-NH2 2.66Å; E191-R198 PolarHBondContact OE1-NH2 2.97Å; E191-R198 IonicContact OE2-CZ 3.34Å; E191-R198 IonicContact OE2-NH1 3.04Å; E191-R198 IonicContact OE2-NH2 3.81Å; E191-R198 PolarHBondContact OE2-NH2 3.26Å
192	A	98.1	Very high	96.9	Very high	40 Å²	40	52.4 Å²	52.4	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175.3	0	0	0	0	0	112.9	P146 S188 Q190 D196	P146-A192 HydrophobicContact CB-CB 3.81Å; P146-A192 HydrophobicContact CG-CB 3.94Å; S188-A192 WeakPolarHBondContact O-CB 3.2Å; S188-A192 PolarHBondContact O-N 3.21Å; S188-A192 VanDerWaalsContact O-N 3.12Å; Q190-A192 PolarHBondContact O-N 3.3Å; A192-D196 PolarHBondContact O-N 3.47Å
193	I	98.4	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.4	-44.5	175.5	-69.6	169.9	0	0	0	110.7	I139 L142 P146 A149 M182 L185 Q189 Q190 E191 E195 L197	I139-I193 HydrophobicContact CD1-CG2 3.82Å; I139-I193 HydrophobicContact CG1-CG2 4.05Å; L142-I193 HydrophobicContact CB-CD1 4.46Å; P146-I193 HydrophobicContact CB-CG1 3.85Å; A149-I193 HydrophobicContact CB-CG2 3.86Å; M182-I193 HydrophobicContact CE-CB 3.84Å; M182-I193 HydrophobicContact CE-CD1 3.83Å; M182-I193 HydrophobicContact CE-CG1 4.42Å; M182-I193 HydrophobicContact CE-CG2 3.77Å; M182-I193 HydrophobicContact SD-CD1 3.8Å; M182-I193 HydrophobicContact SD-CG2 4.49Å; L185-I193 HydrophobicContact CD1-CD1 4.2Å; Q189-I193 WeakPolarHBondContact O-CG1 3.33Å; Q189-I193 PolarHBondContact O-N 3.49Å; Q190-I193 PolarHBondContact O-N 3.39Å; E191-I193 VanDerWaalsContact C-N 3.3Å; E191-I193 PolarHBondContact O-N 3.44Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 3.21Å; I193-L197 WeakPolarHBondContact O-CG 3.3Å; I193-L197 PolarHBondContact O-N 3Å
194	L	98.1	Very high	96.9	Very high	8 Å²	8	61 Å²	61	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-36.3	-179.4	-57	-173.2	0	0	0	111.4	M182 Q190 E191 L197 R198 V214 V216	M182-L194 HydrophobicContact CE-CD2 4.23Å; Q190-L194 WeakPolarHBondContact O-CG 3.41Å; Q190-L194 PolarHBondContact O-N 2.95Å; E191-L194 PolarHBondContact O-N 2.8Å; L194-L197 WeakPolarHBondContact O-CB 3.36Å; L194-L197 PolarHBondContact O-N 3.46Å; L194-R198 WeakPolarHBondContact O-CG 3.44Å; L194-R198 PolarHBondContact O-N 3.22Å; L194-V214 HydrophobicContact CB-CG1 4.09Å; L194-V214 HydrophobicContact CD2-CG1 3.77Å; L194-V214 HydrophobicContact CG-CG1 4.36Å; L194-V216 HydrophobicContact CD1-CG2 4.22Å; L194-V216 HydrophobicContact CD2-CG2 4.32Å
195	E	97.9	Very high	97.1	Very high	90 Å²	90	57.1 Å²	57.1	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-39.2	-179.4	-171.7	60.5	-169.9	0	0	112.7	E191 I193 L197 R198 T199	E191-E195 VanDerWaalsContact O-CB 3.3Å; E191-E195 WeakPolarHBondContact O-CB 3.46Å; E191-E195 PolarHBondContact O-N 2.93Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 3.21Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 3.42Å; E195-R198 PolarHBondContact O-N 3.5Å; E195-R198 IonicContact OE2-NH1 3.25Å; E195-R198 PolarHBondContact OE2-NH1 3.42Å; E195-T199 HydrophobicContact CG-CG2 4.44Å; E195-T199 WeakPolarHBondContact O-CB 3.35Å; E195-T199 WeakPolarHBondContact O-CG2 3.37Å; E195-T199 PolarHBondContact O-N 2.94Å; E195-T199 PolarHBondContact O-OG1 3.36Å
196	D	98	Very high	97.1	Very high	29 Å²	29	60.8 Å²	60.8	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-56.3	-49.3	171.1	-173.8	77.2	0	0	0	110.8	P146 E147 A149 S150 A192 R198 T199 D200	P146-D196 WeakPolarHBondContact O-CB 3.49Å; E147-D196 WeakPolarHBondContact CA-OD1 3.46Å; A149-D196 HydrophobicContact CB-CB 4.22Å; A149-D196 WeakPolarHBondContact CB-OD2 3.17Å; A149-D196 PolarHBondContact N-OD2 3.09Å; S150-D196 WeakPolarHBondContact CB-OD2 3.39Å; S150-D196 PolarHBondContact N-OD2 3.23Å; S150-D196 PolarHBondContact OG-O 2.9Å; S150-D196 PolarHBondContact OG-OD2 2.98Å; A192-D196 PolarHBondContact O-N 3.47Å; D196-R198 PolarHBondContact O-N 2.93Å; D196-T199 PolarHBondContact O-N 2.95Å; D196-T199 PolarHBondContact O-OG1 3.35Å; D196-T199 VanDerWaalsContact O-OG1 3.1Å; D196-D200 WeakPolarHBondContact O-CB 3.41Å; D196-D200 PolarHBondContact O-N 3.46Å
197	L	98.1	Very high	97.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-39.1	177	-62.1	173.4	0	0	0	113	I139 A149 I153 I176 I193 L194 E195 T199 I201 V214	I139-L197 HydrophobicContact CD1-CD1 3.96Å; A149-L197 HydrophobicContact CB-CD2 3.99Å; A149-L197 HydrophobicContact CB-CG 4.07Å; I153-L197 HydrophobicContact CB-CD2 4.16Å; I153-L197 HydrophobicContact CG1-CD2 3.8Å; I176-L197 HydrophobicContact CG2-CD1 4.25Å; I193-L197 WeakPolarHBondContact O-CG 3.3Å; I193-L197 PolarHBondContact O-N 3Å; L194-L197 WeakPolarHBondContact O-CB 3.36Å; L194-L197 PolarHBondContact O-N 3.46Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 3.42Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-I201 HydrophobicContact CB-CD1 3.98Å; L197-I201 HydrophobicContact CD2-CD1 3.96Å; L197-I201 VanDerWaalsContact O-CB 3.27Å; L197-I201 WeakPolarHBondContact O-CB 3.43Å; L197-I201 WeakPolarHBondContact O-CD1 3.39Å; L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.35Å; L197-I201 PolarHBondContact O-N 2.97Å; L197-V214 HydrophobicContact CB-CG1 4.17Å; L197-V214 HydrophobicContact CD1-CG1 4.04Å
198	R	97.3	Very high	97.1	Very high	37 Å²	37	54.5 Å²	54.5	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-38.1	-179.9	-75.5	-176.1	-152	117.8	-2.6	111.9	E191 L194 E195 D196 P202 V214	E191-R198 IonicContact OE1-CZ 2.78Å; E191-R198 IonicContact OE1-NH1 3.72Å; E191-R198 PolarHBondContact OE1-NH1 3.38Å; E191-R198 IonicContact OE1-NH2 2.66Å; E191-R198 PolarHBondContact OE1-NH2 2.97Å; E191-R198 IonicContact OE2-CZ 3.34Å; E191-R198 IonicContact OE2-NH1 3.04Å; E191-R198 IonicContact OE2-NH2 3.81Å; E191-R198 PolarHBondContact OE2-NH2 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.44Å; L194-R198 PolarHBondContact O-N 3.22Å; E195-R198 PolarHBondContact O-N 3.5Å; E195-R198 IonicContact OE2-NH1 3.25Å; E195-R198 PolarHBondContact OE2-NH1 3.42Å; D196-R198 PolarHBondContact O-N 2.93Å; R198-P202 VanDerWaalsContact O-CD 3.23Å; R198-P202 WeakPolarHBondContact O-CD 3.46Å; R198-P202 WeakPolarHBondContact O-CG 3.39Å; R198-V214 HydrophobicContact CG-CB 4.17Å; R198-V214 HydrophobicContact CG-CG2 4.33Å
199	T	95.9	Very high	97.1	Very high	78 Å²	78	51.6 Å²	51.6	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-83.3	-41.2	-174.5	53.4	0	0	0	0	112.8	E195 D196 L197	E195-T199 HydrophobicContact CG-CG2 4.44Å; E195-T199 WeakPolarHBondContact O-CB 3.35Å; E195-T199 WeakPolarHBondContact O-CG2 3.37Å; E195-T199 PolarHBondContact O-N 2.94Å; E195-T199 PolarHBondContact O-OG1 3.36Å; D196-T199 PolarHBondContact O-N 2.95Å; D196-T199 PolarHBondContact O-OG1 3.35Å; D196-T199 VanDerWaalsContact O-OG1 3.1Å; L197-T199 VanDerWaalsContact C-N 3.33Å
200	D	96.9	Very high	96.8	Very high	53 Å²	53	50.7 Å²	50.7	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-87.2	-40.8	-170.6	-163	57.2	0	0	0	113.2	S150 D196 V203 H204	S150-D200 WeakPolarHBondContact CB-OD2 3.29Å; S150-D200 WeakPolarHBondContact OG-CB 3.44Å; D196-D200 WeakPolarHBondContact O-CB 3.41Å; D196-D200 PolarHBondContact O-N 3.46Å; D200-V203 WeakPolarHBondContact O-CB 3.49Å; D200-V203 PolarHBondContact O-N 2.96Å; D200-H204 PolarHBondContact O-CD2 2.87Å; D200-H204 PolarHBondContact O-N 3.34Å; D200-H204 IonicContact OD1-CD2 2.73Å; D200-H204 PolarHBondContact OD1-CD2 3.37Å; D200-H204 IonicContact OD1-NE2 2.81Å; D200-H204 PolarHBondContact OD1-NE2 3.38Å; D200-H204 IonicContact OD2-CD2 3.84Å; D200-H204 PolarHBondContact OD2-CD2 2.85Å; D200-H204 IonicContact OD2-NE2 3.64Å
201	I	96.8	Very high	96.4	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-56.2	-45.2	-175.4	-68.8	175.8	0	0	0	113.4	L157 L174 I176 L197 V203 H204 F205 F209	L157-I201 HydrophobicContact CD1-CD1 3.92Å; L157-I201 HydrophobicContact CD1-CG1 4.06Å; L157-I201 HydrophobicContact CD1-CG2 4.02Å; L174-I201 HydrophobicContact CD2-CG2 3.9Å; I176-I201 HydrophobicContact CD1-CD1 3.24Å; L197-I201 HydrophobicContact CB-CD1 3.98Å; L197-I201 HydrophobicContact CD2-CD1 3.96Å; L197-I201 VanDerWaalsContact O-CB 3.27Å; L197-I201 WeakPolarHBondContact O-CB 3.43Å; L197-I201 WeakPolarHBondContact O-CD1 3.39Å; L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.35Å; L197-I201 PolarHBondContact O-N 2.97Å; I201-V203 PolarHBondContact O-N 2.88Å; I201-H204 PolarHBondContact O-N 3.44Å; I201-F205 HydrophobicContact CG2-CD2 4.34Å; I201-F205 PolarHBondContact O-N 3.43Å; I201-F209 HydrophobicContact CB-CE1 4.08Å; I201-F209 HydrophobicContact CB-CZ 3.95Å; I201-F209 HydrophobicContact CD1-CE2 4.23Å; I201-F209 HydrophobicContact CD1-CZ 3.86Å; I201-F209 HydrophobicContact CG1-CZ 4.47Å; I201-F209 HydrophobicContact CG2-CD1 4.41Å; I201-F209 HydrophobicContact CG2-CD2 4.3Å; I201-F209 HydrophobicContact CG2-CE1 4.18Å; I201-F209 HydrophobicContact CG2-CE2 4.1Å; I201-F209 HydrophobicContact CG2-CG 4.38Å; I201-F209 HydrophobicContact CG2-CZ 3.96Å
202	P	95.8	Very high	96	Very high	66 Å²	66	54.5 Å²	54.5	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-20.3	178.5	-23.7	35.9	0	0	0	114.5	R198 F209	R198-P202 VanDerWaalsContact O-CD 3.23Å; R198-P202 WeakPolarHBondContact O-CD 3.46Å; R198-P202 WeakPolarHBondContact O-CG 3.39Å; P202-F209 HydrophobicContact CG-CD1 3.68Å; P202-F209 HydrophobicContact CG-CE1 3.96Å
203	V	96.2	Very high	95.9	Very high	112 Å²	112	53.7 Å²	53.7	68%	0.679	29%	0.293	S	S	*	.	H	α-helix	trans	-77	-36.3	177.6	-178	0	0	0	0	110.5	D200 I201	D200-V203 WeakPolarHBondContact O-CB 3.49Å; D200-V203 PolarHBondContact O-N 2.96Å; I201-V203 PolarHBondContact O-N 2.88Å
204	H	95.1	Very high	95.8	Very high	115 Å²	115	53.8 Å²	53.8	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-96.2	-27.7	-174	-69.4	-73.5	0	0	0	114	D200 I201	D200-H204 PolarHBondContact O-CD2 2.87Å; D200-H204 PolarHBondContact O-N 3.34Å; D200-H204 IonicContact OD1-CD2 2.73Å; D200-H204 PolarHBondContact OD1-CD2 3.37Å; D200-H204 IonicContact OD1-NE2 2.81Å; D200-H204 PolarHBondContact OD1-NE2 3.38Å; D200-H204 IonicContact OD2-CD2 3.84Å; D200-H204 PolarHBondContact OD2-CD2 2.85Å; D200-H204 IonicContact OD2-NE2 3.64Å; I201-H204 PolarHBondContact O-N 3.44Å
205	F	96.6	Very high	95.8	Very high	24 Å²	24	55.5 Å²	55.5	11%	0.105	30%	0.302	C	S	.	.			trans	-127.6	137.6	-174.8	-61.6	-83.9	0	0	0	112.5	D154 L157 A161 I201 F207	D154-F205 WeakPolarHBondContact OD2-CZ 3.02Å; L157-F205 HydrophobicContact CB-CD1 4.07Å; L157-F205 HydrophobicContact CB-CD2 4.16Å; L157-F205 HydrophobicContact CB-CE1 3.62Å; L157-F205 HydrophobicContact CB-CE2 3.72Å; L157-F205 HydrophobicContact CB-CG 4.33Å; L157-F205 HydrophobicContact CB-CZ 3.44Å; L157-F205 VanDerWaalsContact CB-CZ 3.44Å; L157-F205 HydrophobicContact CD1-CD2 3.84Å; L157-F205 HydrophobicContact CD1-CE2 3.84Å; L157-F205 HydrophobicContact CD1-CG 4.44Å; L157-F205 HydrophobicContact CD1-CZ 4.44Å; L157-F205 HydrophobicContact CG-CE2 4.43Å; A161-F205 HydrophobicContact CB-CD1 4.43Å; A161-F205 HydrophobicContact CB-CE1 4.42Å; I201-F205 HydrophobicContact CG2-CD2 4.34Å; I201-F205 PolarHBondContact O-N 3.43Å; F205-F207 VanDerWaalsContact C-N 3.27Å; F205-F207 HydrophobicContact CB-CD2 3.8Å; F205-F207 HydrophobicContact CB-CE2 4.26Å; F205-F207 HydrophobicContact CD1-CD2 4.33Å; F205-F207 AromaticContact CD1-CE2 3.93Å; F205-F207 HydrophobicContact CD1-CE2 3.93Å; F205-F207 HydrophobicContact CG-CD2 4.31Å; F205-F207 HydrophobicContact CG-CE2 4.37Å; F205-F207 PolarHBondContact O-N 3.32Å
206	N	96.3	Very high	95.8	Very high	107 Å²	107	52.7 Å²	52.7	57%	0.572	29%	0.291	S	S	*	.			trans	-88.9	24.2	178.9	-70.1	-44.3	0	0	0	113.3	H169 Q170	H169-N206 CarbonylContact C-O 3.52Å; H169-N206 HydrophobicContact CB-CB 4.21Å; Q170-N206 WeakPolarHBondContact CA-O 3.32Å; Q170-N206 HydrophobicContact CG-CB 4.26Å; Q170-N206 PolarHBondContact N-O 2.86Å
207	F	97.8	Very high	95.7	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	28%	0.284	C	S	.	.	S	Bend	trans	-74.7	155.4	177.7	-64.2	-55.2	0	0	0	111.6	L91 A161 I164 H169 T172 L174 F205 F209	L91-F207 HydrophobicContact CD1-CD1 3.9Å; L91-F207 HydrophobicContact CD1-CD2 3.78Å; L91-F207 HydrophobicContact CD1-CE1 3.69Å; L91-F207 HydrophobicContact CD1-CE2 3.56Å; L91-F207 HydrophobicContact CD1-CG 3.95Å; L91-F207 HydrophobicContact CD1-CZ 3.5Å; A161-F207 HydrophobicContact CB-CE2 4.23Å; A161-F207 HydrophobicContact CB-CZ 3.82Å; I164-F207 HydrophobicContact CD1-CE1 4.19Å; H169-F207 HydrophobicContact CB-CD1 4.21Å; H169-F207 HydrophobicContact CB-CE1 4.19Å; H169-F207 AromaticContact CD2-CE1 3.92Å; H169-F207 AromaticContact CG-CE1 3.99Å; H169-F207 WeakPolarHBondContact O-CA 3.14Å; T172-F207 HydrophobicContact CG2-CD1 3.98Å; T172-F207 HydrophobicContact CG2-CE1 4.23Å; L174-F207 HydrophobicContact CB-CB 3.85Å; L174-F207 HydrophobicContact CB-CG 4.42Å; L174-F207 HydrophobicContact CD2-CB 4.39Å; L174-F207 HydrophobicContact CD2-CD2 4.14Å; F205-F207 VanDerWaalsContact C-N 3.27Å; F205-F207 HydrophobicContact CB-CD2 3.8Å; F205-F207 HydrophobicContact CB-CE2 4.26Å; F205-F207 HydrophobicContact CD1-CD2 4.33Å; F205-F207 AromaticContact CD1-CE2 3.93Å; F205-F207 HydrophobicContact CD1-CE2 3.93Å; F205-F207 HydrophobicContact CG-CD2 4.31Å; F205-F207 HydrophobicContact CG-CE2 4.37Å; F205-F207 PolarHBondContact O-N 3.32Å; F207-F209 PolarHBondContact O-N 2.85Å
208	L	95.8	Very high	95.5	Very high	86 Å²	86	53.6 Å²	53.6	45%	0.45	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-70.3	103.5	173	177.7	70.7	0	0	0	109.3	T172 P173 L174 H213	T172-L208 PolarHBondContact O-N 3.47Å; P173-L208 WeakPolarHBondContact CA-O 3.25Å; P173-L208 HydrophobicContact CB-CD2 4.38Å; L174-L208 PolarHBondContact N-O 2.8Å; L208-H213 PolarHBondContact O-ND1 3.27Å
209	F	95.8	Very high	95.1	Very high	32 Å²	32	52.1 Å²	52.1	14%	0.14	30%	0.296	C	S	.	.			trans	-138.8	136	-170.8	-171.7	-96.1	0	0	0	110.6	L174 I176 I201 P202 F207 H213 V214	L174-F209 HydrophobicContact CB-CD2 4.1Å; L174-F209 HydrophobicContact CD2-CD2 3.77Å; L174-F209 HydrophobicContact CD2-CE2 4.02Å; L174-F209 HydrophobicContact CG-CD2 3.84Å; L174-F209 HydrophobicContact CG-CE2 4.19Å; I176-F209 HydrophobicContact CD1-CE2 4.01Å; I176-F209 HydrophobicContact CD1-CZ 4.46Å; I176-F209 HydrophobicContact CG1-CE2 4.33Å; I201-F209 HydrophobicContact CB-CE1 4.08Å; I201-F209 HydrophobicContact CB-CZ 3.95Å; I201-F209 HydrophobicContact CD1-CE2 4.23Å; I201-F209 HydrophobicContact CD1-CZ 3.86Å; I201-F209 HydrophobicContact CG1-CZ 4.47Å; I201-F209 HydrophobicContact CG2-CD1 4.41Å; I201-F209 HydrophobicContact CG2-CD2 4.3Å; I201-F209 HydrophobicContact CG2-CE1 4.18Å; I201-F209 HydrophobicContact CG2-CE2 4.1Å; I201-F209 HydrophobicContact CG2-CG 4.38Å; I201-F209 HydrophobicContact CG2-CZ 3.96Å; P202-F209 HydrophobicContact CG-CD1 3.68Å; P202-F209 HydrophobicContact CG-CE1 3.96Å; F207-F209 PolarHBondContact O-N 2.85Å; F209-H213 HydrophobicContact CD2-CB 4.28Å; F209-V214 HydrophobicContact CD2-CG2 4.44Å; F209-V214 HydrophobicContact CE1-CG2 3.97Å; F209-V214 HydrophobicContact CE2-CG2 3.29Å; F209-V214 HydrophobicContact CZ-CB 4.49Å; F209-V214 HydrophobicContact CZ-CG2 3.03Å
210	S	91.9	Very high	94.9	Very high	47 Å²	47	51.8 Å²	51.8	33%	0.329	29%	0.288	S	S	.	.			trans	-145.6	166.6	178.7	57.4	0	0	0	0	109.5	S212 H213	S210-S212 PolarHBondContact O-N 3.44Å; S210-S212 PolarHBondContact OG-OG 3.27Å; S210-H213 WeakPolarHBondContact O-CA 3.41Å; S210-H213 VanDerWaalsContact O-CB 3.24Å; S210-H213 WeakPolarHBondContact O-CB 3.32Å; S210-H213 PolarHBondContact O-N 2.72Å; S210-H213 PolarHBondContact OG-CD2 2.91Å
211	D	89.5	Confident	94.7	Very high	119 Å²	119	51.9 Å²	51.9	64%	0.636	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-51.8	-38	-178	-57.3	-6.6	0	0	0	113.4	H213 V214	D211-H213 PolarHBondContact O-N 2.79Å; D211-V214 PolarHBondContact O-N 3.38Å
212	S	90.7	Very high	94.5	Very high	83 Å²	83	52.3 Å²	52.3	58%	0.58	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-69.9	-8.1	178	63.7	0	0	0	0	114.7	S210	S210-S212 PolarHBondContact O-N 3.44Å; S210-S212 PolarHBondContact OG-OG 3.27Å
213	H	95.7	Very high	94.4	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.102	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-92.6	-7.7	179.4	-66.1	-174.4	0	0	0	112.8	L174 Y175 I176 L208 F209 S210 D211	L174-H213 WeakPolarHBondContact O-CB 3.4Å; L174-H213 PolarHBondContact O-ND1 3.04Å; Y175-H213 CarbonylContact C-O 3.48Å; Y175-H213 WeakPolarHBondContact CA-O 3.3Å; Y175-H213 HydrophobicContact CD1-CB 4.01Å; Y175-H213 AromaticContact CD1-CD2 3.81Å; Y175-H213 AromaticContact CD1-CG 3.84Å; Y175-H213 HydrophobicContact CE1-CB 4.43Å; Y175-H213 AromaticContact CE1-CD2 3.36Å; Y175-H213 WeakPolarHBondContact CE1-CD2 3.38Å; Y175-H213 AromaticContact CE1-CE1 3.94Å; Y175-H213 AromaticContact CE1-CG 3.76Å; Y175-H213 AromaticContact CE1-NE2 3.47Å; Y175-H213 WeakPolarHBondContact CE1-NE2 3.34Å; I176-H213 PolarHBondContact N-O 3.42Å; L208-H213 PolarHBondContact O-ND1 3.27Å; F209-H213 HydrophobicContact CD2-CB 4.28Å; S210-H213 WeakPolarHBondContact O-CA 3.41Å; S210-H213 VanDerWaalsContact O-CB 3.24Å; S210-H213 WeakPolarHBondContact O-CB 3.32Å; S210-H213 PolarHBondContact O-N 2.72Å; S210-H213 PolarHBondContact OG-CD2 2.91Å; D211-H213 PolarHBondContact O-N 2.79Å
214	V	96.9	Very high	94.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.4	173.1	-175.4	0	0	0	0	109	I176 L194 L197 R198 F209 D211	I176-V214 HydrophobicContact CB-CG1 4.44Å; I176-V214 HydrophobicContact CB-CG2 4.23Å; I176-V214 HydrophobicContact CD1-CG2 4.43Å; I176-V214 WeakPolarHBondContact O-CA 3.13Å; L194-V214 HydrophobicContact CB-CG1 4.09Å; L194-V214 HydrophobicContact CD2-CG1 3.77Å; L194-V214 HydrophobicContact CG-CG1 4.36Å; L197-V214 HydrophobicContact CB-CG1 4.17Å; L197-V214 HydrophobicContact CD1-CG1 4.04Å; R198-V214 HydrophobicContact CG-CB 4.17Å; R198-V214 HydrophobicContact CG-CG2 4.33Å; F209-V214 HydrophobicContact CD2-CG2 4.44Å; F209-V214 HydrophobicContact CE1-CG2 3.97Å; F209-V214 HydrophobicContact CE2-CG2 3.29Å; F209-V214 HydrophobicContact CZ-CB 4.49Å; F209-V214 HydrophobicContact CZ-CG2 3.03Å; D211-V214 PolarHBondContact O-N 3.38Å
215	E	96.6	Very high	94.4	Very high	44 Å²	44	39.1 Å²	39.1	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.4	-176.1	67.5	-177.2	148.3	0	0	112.3	I176 L177 C178 I217 R534	I176-E215 PolarHBondContact O-N 2.93Å; I176-E215 VanDerWaalsContact O-N 3.14Å; L177-E215 HydrophobicContact CD2-CG 3.63Å; L177-E215 WeakPolarHBondContact CD2-OE1 3.26Å; C178-E215 PolarHBondContact N-O 2.9Å; E215-I217 HydrophobicContact CG-CG2 3.79Å; E215-R534 IonicContact OE1-CZ 2.76Å; E215-R534 IonicContact OE1-NE 3.69Å; E215-R534 IonicContact OE1-NH2 2.77Å; E215-R534 PolarHBondContact OE1-NH2 3.19Å; E215-R534 IonicContact OE2-NH2 3.09Å
216	V	97.6	Very high	94.2	Very high	32 Å²	32	38.3 Å²	38.3	19%	0.194	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.3	162.5	179.2	0	0	0	0	107.7	C178 M182 R183 Q190 L194	C178-V216 HydrophobicContact CB-CB 4.37Å; C178-V216 HydrophobicContact CB-CG2 3.83Å; C178-V216 CarbonylContact O-C 3.12Å; C178-V216 WeakPolarHBondContact O-CA 3.42Å; M182-V216 HydrophobicContact CB-CG1 4.14Å; M182-V216 HydrophobicContact CB-CG2 3.74Å; M182-V216 HydrophobicContact CE-CG2 4.31Å; R183-V216 HydrophobicContact CB-CG1 4.47Å; R183-V216 HydrophobicContact CG-CG1 3.47Å; R183-V216 VanDerWaalsContact CG-CG1 3.47Å; Q190-V216 HydrophobicContact CB-CG2 4.45Å; L194-V216 HydrophobicContact CD1-CG2 4.22Å; L194-V216 HydrophobicContact CD2-CG2 4.32Å
217	I	95.8	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.			trans	-73.2	140.8	-179.8	63.7	169.6	0	0	0	110.7	L177 C178 T179 R183 E215 Q221 E222 Y225 W526	L177-I217 HydrophobicContact CB-CG2 4.11Å; L177-I217 HydrophobicContact CD2-CG2 3.94Å; L177-I217 HydrophobicContact CG-CG2 4.41Å; C178-I217 WeakPolarHBondContact O-CG1 3.36Å; C178-I217 PolarHBondContact O-N 2.9Å; T179-I217 HydrophobicContact CG2-CD1 4.14Å; T179-I217 HydrophobicContact CG2-CG1 4.21Å; R183-I217 WeakPolarHBondContact CD-O 3.45Å; R183-I217 PolarHBondContact NE-O 2.88Å; E215-I217 HydrophobicContact CG-CG2 3.79Å; I217-Q221 HydrophobicContact CB-CB 4.23Å; I217-E222 HydrophobicContact CD1-CB 3.73Å; I217-E222 HydrophobicContact CD1-CG 4.1Å; I217-E222 HydrophobicContact CG1-CB 4.4Å; I217-Y225 HydrophobicContact CD1-CD2 4.39Å; I217-W526 HydrophobicContact CD1-CE3 4Å; I217-W526 HydrophobicContact CD1-CH2 3.74Å; I217-W526 HydrophobicContact CD1-CZ2 4.38Å; I217-W526 HydrophobicContact CD1-CZ3 3.53Å
218	S	93.9	Very high	94.1	Very high	47 Å²	47	32.6 Å²	32.6	33%	0.329	18%	0.182	S	C	.	.			trans	-64.5	153.6	170.2	66.6	0	0	0	0	110.7	K220 Q221 E222	S218-K220 PolarHBondContact O-N 2.92Å; S218-Q221 PolarHBondContact O-N 3.09Å; S218-Q221 VanDerWaalsContact O-N 3.08Å; S218-Q221 WeakPolarHBondContact OG-CG 3.44Å; S218-Q221 PolarHBondContact OG-N 3.03Å; S218-Q221 VanDerWaalsContact OG-N 3.13Å; S218-Q221 PolarHBondContact OG-OE1 3.49Å; S218-E222 PolarHBondContact O-N 3.07Å
219	G	89.8	Confident	94	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-32.1	172.7	0	0	0	0	0	112.9	E222 G223 T324	G219-E222 PolarHBondContact O-N 2.97Å; G219-G223 PolarHBondContact O-N 3.34Å; G219-T324 WeakPolarHBondContact CA-OG1 3.45Å; G219-T324 PolarHBondContact O-OG1 2.85Å
220	K	91.1	Very high	93.9	Very high	72 Å²	72	27 Å²	27	31%	0.313	15%	0.154	S	C	.	.	H	α-helix	trans	-61.2	-47.9	173.4	-174.2	176.3	-177.6	172.6	0	111.4	S218 G223 V224 N300 L302 V322	S218-K220 PolarHBondContact O-N 2.92Å; K220-G223 PolarHBondContact O-N 2.75Å; K220-V224 WeakPolarHBondContact O-CG2 3.46Å; K220-V224 PolarHBondContact O-N 2.92Å; K220-N300 WeakPolarHBondContact CE-O 3.11Å; K220-N300 PolarHBondContact NZ-O 3.31Å; K220-L302 WeakPolarHBondContact CE-O 3.48Å; K220-L302 PolarHBondContact NZ-O 3.21Å; K220-V322 HydrophobicContact CG-CB 4.3Å
221	Q	93.8	Very high	94	Very high	55 Å²	55	24.7 Å²	24.7	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-61.9	-46.7	175.7	-74.6	162.6	-64.6	0	0	111.5	I217 S218 G223 V224 Y225	I217-Q221 HydrophobicContact CB-CB 4.23Å; S218-Q221 PolarHBondContact O-N 3.09Å; S218-Q221 VanDerWaalsContact O-N 3.08Å; S218-Q221 WeakPolarHBondContact OG-CG 3.44Å; S218-Q221 PolarHBondContact OG-N 3.03Å; S218-Q221 VanDerWaalsContact OG-N 3.13Å; S218-Q221 PolarHBondContact OG-OE1 3.49Å; Q221-G223 VanDerWaalsContact C-N 3.34Å; Q221-G223 PolarHBondContact O-N 2.94Å; Q221-V224 PolarHBondContact O-N 3.45Å; Q221-Y225 HydrophobicContact CB-CD2 4.42Å; Q221-Y225 HydrophobicContact CB-CE2 3.96Å; Q221-Y225 WeakPolarHBondContact O-CB 3.47Å; Q221-Y225 WeakPolarHBondContact O-CD2 3.32Å; Q221-Y225 PolarHBondContact O-N 2.91Å
222	E	92.9	Very high	94.1	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-56.4	-46.6	178.3	-169.1	179.1	176.4	0	0	111.7	T179 R183 I217 S218 G219 Y225 A226 Q278 W526	T179-E222 HydrophobicContact CG2-CG 4.46Å; R183-E222 IonicContact CZ-OE2 3.42Å; R183-E222 IonicContact NH2-OE2 3.71Å; R183-E222 PolarHBondContact NH2-OE2 3.24Å; I217-E222 HydrophobicContact CD1-CB 3.73Å; I217-E222 HydrophobicContact CD1-CG 4.1Å; I217-E222 HydrophobicContact CG1-CB 4.4Å; S218-E222 PolarHBondContact O-N 3.07Å; G219-E222 PolarHBondContact O-N 2.97Å; E222-Y225 PolarHBondContact O-N 2.9Å; E222-A226 WeakPolarHBondContact O-CB 3.36Å; E222-A226 PolarHBondContact O-N 3.14Å; E222-Q278 PolarHBondContact OE1-NE2 3.22Å; E222-Q278 PolarHBondContact OE2-NE2 3.46Å; E222-W526 HydrophobicContact CG-CD2 4.4Å; E222-W526 HydrophobicContact CG-CG 4.31Å
223	G	93	Very high	94	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-67.6	-39.3	176.9	0	0	0	0	0	113.8	G219 K220 Q221 A226 W227 A280	G219-G223 PolarHBondContact O-N 3.34Å; K220-G223 PolarHBondContact O-N 2.75Å; Q221-G223 VanDerWaalsContact C-N 3.34Å; Q221-G223 PolarHBondContact O-N 2.94Å; G223-A226 PolarHBondContact O-N 2.8Å; G223-W227 WeakPolarHBondContact O-CB 3.3Å; G223-W227 PolarHBondContact O-N 3.18Å; G223-A280 WeakPolarHBondContact O-CB 3.18Å
224	V	95.4	Very high	93.6	Very high	11 Å²	11	16.1 Å²	16.1	7%	0.067	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-47.2	172	167.5	0	0	0	0	110.2	K220 Q221 A226 W227 I228 A303 F305 V322	K220-V224 WeakPolarHBondContact O-CG2 3.46Å; K220-V224 PolarHBondContact O-N 2.92Å; Q221-V224 PolarHBondContact O-N 3.45Å; V224-A226 PolarHBondContact O-N 3.24Å; V224-W227 PolarHBondContact O-N 3.34Å; V224-I228 HydrophobicContact CG1-CD1 3.6Å; V224-I228 HydrophobicContact CG1-CG1 4.23Å; V224-I228 VanDerWaalsContact O-CG1 3.28Å; V224-I228 WeakPolarHBondContact O-CG1 3.27Å; V224-I228 PolarHBondContact O-N 3.05Å; V224-A303 HydrophobicContact CG2-CB 3.43Å; V224-A303 VanDerWaalsContact CG2-CB 3.43Å; V224-F305 HydrophobicContact CG1-CD1 4.08Å; V224-F305 HydrophobicContact CG1-CE1 3.55Å; V224-F305 HydrophobicContact CG1-CE2 4.45Å; V224-F305 HydrophobicContact CG1-CZ 3.77Å; V224-F305 HydrophobicContact CG2-CE1 4.21Å; V224-V322 HydrophobicContact CG2-CG2 3.66Å
225	Y	95.6	Very high	93.2	Very high	5 Å²	5	16 Å²	16	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-65.3	-38.7	179.9	-63.5	-30.3	0	0	0	112.5	I217 Q221 E222 W227 I228 G229 W526 G529 A530 Y533 R534	I217-Y225 HydrophobicContact CD1-CD2 4.39Å; Q221-Y225 HydrophobicContact CB-CD2 4.42Å; Q221-Y225 HydrophobicContact CB-CE2 3.96Å; Q221-Y225 WeakPolarHBondContact O-CB 3.47Å; Q221-Y225 WeakPolarHBondContact O-CD2 3.32Å; Q221-Y225 PolarHBondContact O-N 2.91Å; E222-Y225 PolarHBondContact O-N 2.9Å; Y225-W227 VanDerWaalsContact C-N 3.34Å; Y225-W227 PolarHBondContact O-N 2.83Å; Y225-I228 HydrophobicContact CD1-CD1 4.25Å; Y225-I228 PolarHBondContact O-N 3.04Å; Y225-G229 PolarHBondContact O-N 3.43Å; Y225-W526 WeakPolarHBondContact CB-O 3.26Å; Y225-W526 HydrophobicContact CD2-CE3 4.13Å; Y225-W526 HydrophobicContact CD2-CZ3 4.44Å; Y225-G529 WeakPolarHBondContact O-CA 3.43Å; Y225-A530 HydrophobicContact CD1-CB 4.24Å; Y225-A530 HydrophobicContact CD2-CB 3.64Å; Y225-A530 HydrophobicContact CE2-CB 3.95Å; Y225-A530 HydrophobicContact CG-CB 3.81Å; Y225-Y533 AromaticContact CE1-CD1 3.68Å; Y225-Y533 HydrophobicContact CE1-CD1 3.68Å; Y225-Y533 AromaticContact CE1-CG 3.87Å; Y225-Y533 HydrophobicContact CE1-CG 3.87Å; Y225-R534 PolarHBondContact OH-NH1 3.36Å; Y225-R534 VanDerWaalsContact OH-NH1 3.13Å; Y225-R534 PolarHBondContact OH-NH2 3.31Å
226	A	93.4	Very high	93	Very high	7 Å²	7	14.6 Å²	14.6	6%	0.058	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-45.6	172.7	0	0	0	0	0	111.4	E222 G223 V224 G229 I230 V269 W526	E222-A226 WeakPolarHBondContact O-CB 3.36Å; E222-A226 PolarHBondContact O-N 3.14Å; G223-A226 PolarHBondContact O-N 2.8Å; V224-A226 PolarHBondContact O-N 3.24Å; A226-G229 PolarHBondContact O-N 2.9Å; A226-I230 PolarHBondContact O-N 3.3Å; A226-I230 VanDerWaalsContact O-N 3.12Å; A226-V269 HydrophobicContact CB-CG1 3.9Å; A226-W526 HydrophobicContact CB-CB 3.89Å
227	W	96.1	Very high	92.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.5	-179.2	91.8	0	0	0	112.5	G223 V224 Y225 I230 N231 F237 T266 A267 V269 A280 E282 F305 Y318 V320	G223-W227 WeakPolarHBondContact O-CB 3.3Å; G223-W227 PolarHBondContact O-N 3.18Å; V224-W227 PolarHBondContact O-N 3.34Å; Y225-W227 VanDerWaalsContact C-N 3.34Å; Y225-W227 PolarHBondContact O-N 2.83Å; W227-I230 WeakPolarHBondContact O-CG2 3.49Å; W227-N231 VanDerWaalsContact CE2-ND2 3.3Å; W227-N231 PolarHBondContact NE1-ND2 3.1Å; W227-N231 WeakPolarHBondContact O-CB 3.47Å; W227-N231 PolarHBondContact O-N 3.12Å; W227-N231 PolarHBondContact O-ND2 2.74Å; W227-F237 HydrophobicContact CE3-CZ 4.43Å; W227-F237 AromaticContact CH2-CE1 3.72Å; W227-F237 HydrophobicContact CH2-CE1 3.72Å; W227-F237 HydrophobicContact CH2-CZ 4.13Å; W227-F237 AromaticContact CZ3-CE1 3.79Å; W227-F237 HydrophobicContact CZ3-CE1 3.79Å; W227-F237 AromaticContact CZ3-CZ 3.74Å; W227-F237 HydrophobicContact CZ3-CZ 3.74Å; W227-T266 HydrophobicContact CH2-CG2 4.04Å; W227-T266 HydrophobicContact CZ2-CG2 3.57Å; W227-A267 PolarHBondContact NE1-O 2.93Å; W227-V269 HydrophobicContact CB-CG2 4.43Å; W227-A280 HydrophobicContact CB-CB 3.9Å; W227-E282 HydrophobicContact CZ2-CB 4.02Å; W227-F305 AromaticContact CE3-CZ 3.93Å; W227-F305 HydrophobicContact CE3-CZ 3.93Å; W227-F305 HydrophobicContact CZ3-CE2 4.2Å; W227-F305 AromaticContact CZ3-CZ 3.76Å; W227-F305 HydrophobicContact CZ3-CZ 3.76Å; W227-Y318 AromaticContact CH2-CD1 3.36Å; W227-Y318 HydrophobicContact CH2-CD1 3.36Å; W227-Y318 HydrophobicContact CH2-CD2 4.29Å; W227-Y318 AromaticContact CH2-CE1 3.85Å; W227-Y318 HydrophobicContact CH2-CE1 3.85Å; W227-Y318 AromaticContact CH2-CG 3.62Å; W227-Y318 HydrophobicContact CH2-CG 3.62Å; W227-Y318 HydrophobicContact CZ2-CD1 4.1Å; W227-Y318 HydrophobicContact CZ3-CD1 4.27Å; W227-Y318 HydrophobicContact CZ3-CD2 4.48Å; W227-Y318 HydrophobicContact CZ3-CG 4.1Å; W227-V320 HydrophobicContact CB-CG1 4.37Å; W227-V320 HydrophobicContact CD2-CG1 4.09Å; W227-V320 HydrophobicContact CD2-CG2 3.81Å; W227-V320 HydrophobicContact CE3-CG2 3.8Å; W227-V320 HydrophobicContact CG-CG1 3.93Å; W227-V320 HydrophobicContact CH2-CG2 4.03Å; W227-V320 HydrophobicContact CZ2-CG2 3.98Å; W227-V320 HydrophobicContact CZ3-CG2 3.93Å
228	I	95.9	Very high	92.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-48.5	175.3	-67.7	165.1	0	0	0	110	V224 Y225 I230 N231 F232 F237 F305 L307 L532 Y533	V224-I228 HydrophobicContact CG1-CD1 3.6Å; V224-I228 HydrophobicContact CG1-CG1 4.23Å; V224-I228 VanDerWaalsContact O-CG1 3.28Å; V224-I228 WeakPolarHBondContact O-CG1 3.27Å; V224-I228 PolarHBondContact O-N 3.05Å; Y225-I228 HydrophobicContact CD1-CD1 4.25Å; Y225-I228 PolarHBondContact O-N 3.04Å; I228-I230 PolarHBondContact O-N 2.94Å; I228-N231 PolarHBondContact O-N 2.74Å; I228-F232 VanDerWaalsContact O-CB 3.27Å; I228-F232 WeakPolarHBondContact O-CB 3.14Å; I228-F232 PolarHBondContact O-N 2.74Å; I228-F237 HydrophobicContact CG2-CE2 4.03Å; I228-F237 HydrophobicContact CG2-CZ 4.39Å; I228-F237 WeakPolarHBondContact O-CE2 3.29Å; I228-F305 HydrophobicContact CD1-CE2 3.85Å; I228-F305 HydrophobicContact CD1-CZ 4.13Å; I228-F305 HydrophobicContact CG1-CE2 3.94Å; I228-F305 HydrophobicContact CG1-CZ 4.03Å; I228-L307 HydrophobicContact CD1-CD2 3.75Å; I228-L307 HydrophobicContact CG1-CD1 4.36Å; I228-L307 HydrophobicContact CG1-CD2 4.09Å; I228-L307 HydrophobicContact CG2-CD1 4.35Å; I228-L307 HydrophobicContact CG2-CD2 4.18Å; I228-L532 HydrophobicContact CG2-CB 4.38Å; I228-L532 HydrophobicContact CG2-CD2 3.7Å; I228-L532 HydrophobicContact CG2-CG 4.45Å; I228-Y533 HydrophobicContact CD1-CD2 4.18Å; I228-Y533 HydrophobicContact CD1-CG 4.46Å
229	G	93.1	Very high	91.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.8	-49.1	-176.8	0	0	0	0	0	112.8	Y225 A226 N231 V233	Y225-G229 PolarHBondContact O-N 3.43Å; A226-G229 PolarHBondContact O-N 2.9Å; G229-N231 PolarHBondContact O-N 2.76Å; G229-V233 WeakPolarHBondContact O-CG2 3.48Å; G229-V233 PolarHBondContact O-N 2.67Å
230	I	92.8	Very high	90.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-42.3	179.6	-172.3	52.7	0	0	0	111.8	A226 W227 I228 F232 V233 L234 V269 Y429 F431 V519 V524	A226-I230 PolarHBondContact O-N 3.3Å; A226-I230 VanDerWaalsContact O-N 3.12Å; W227-I230 WeakPolarHBondContact O-CG2 3.49Å; I228-I230 PolarHBondContact O-N 2.94Å; I230-F232 VanDerWaalsContact C-N 3.34Å; I230-F232 PolarHBondContact O-N 2.86Å; I230-V233 PolarHBondContact O-N 3.45Å; I230-L234 HydrophobicContact CD1-CD1 3.96Å; I230-L234 HydrophobicContact CD1-CG 3.96Å; I230-L234 HydrophobicContact CG1-CD1 3.82Å; I230-L234 HydrophobicContact CG1-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 2.89Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.32Å; I230-L234 PolarHBondContact O-N 2.77Å; I230-V269 HydrophobicContact CB-CG2 4.1Å; I230-V269 HydrophobicContact CG2-CG2 3.23Å; I230-Y429 HydrophobicContact CD1-CD1 3.89Å; I230-Y429 HydrophobicContact CD1-CD2 4.17Å; I230-Y429 HydrophobicContact CD1-CE1 4.18Å; I230-Y429 HydrophobicContact CD1-CE2 4.46Å; I230-Y429 HydrophobicContact CD1-CG 3.89Å; I230-Y429 HydrophobicContact CG1-CD1 4.43Å; I230-Y429 HydrophobicContact CG1-CD2 3.94Å; I230-Y429 HydrophobicContact CG1-CE2 4.5Å; I230-Y429 HydrophobicContact CG1-CG 3.91Å; I230-F431 HydrophobicContact CB-CZ 4.26Å; I230-F431 HydrophobicContact CD1-CZ 4.08Å; I230-F431 HydrophobicContact CG1-CZ 4.23Å; I230-V519 HydrophobicContact CD1-CB 4.36Å; I230-V519 HydrophobicContact CD1-CG1 4.34Å; I230-V519 HydrophobicContact CD1-CG2 3.77Å; I230-V524 HydrophobicContact CB-CG1 4.03Å; I230-V524 HydrophobicContact CD1-CG1 4.1Å; I230-V524 HydrophobicContact CD1-CG2 4.34Å
231	N	94	Very high	89.4	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.6	-33.9	-175.6	-79.2	-66.6	0	0	0	111.5	W227 I228 G229 L234 G235 R236 F237 T266 A267	W227-N231 VanDerWaalsContact CE2-ND2 3.3Å; W227-N231 PolarHBondContact NE1-ND2 3.1Å; W227-N231 WeakPolarHBondContact O-CB 3.47Å; W227-N231 PolarHBondContact O-N 3.12Å; W227-N231 PolarHBondContact O-ND2 2.74Å; I228-N231 PolarHBondContact O-N 2.74Å; G229-N231 PolarHBondContact O-N 2.76Å; N231-L234 PolarHBondContact O-N 2.76Å; N231-G235 PolarHBondContact O-N 2.83Å; N231-R236 HydrophobicContact CB-CB 4Å; N231-R236 HydrophobicContact CB-CG 4.3Å; N231-R236 PolarHBondContact O-N 3.25Å; N231-R236 VanDerWaalsContact OD1-CG 3.29Å; N231-R236 WeakPolarHBondContact OD1-CG 3.32Å; N231-F237 HydrophobicContact CB-CD1 4.4Å; N231-F237 HydrophobicContact CB-CE1 3.65Å; N231-F237 HydrophobicContact CB-CE2 4.01Å; N231-F237 HydrophobicContact CB-CZ 3.41Å; N231-F237 VanDerWaalsContact CB-CZ 3.41Å; N231-T266 WeakPolarHBondContact OD1-CA 3.27Å; N231-T266 WeakPolarHBondContact OD1-CB 3.25Å; N231-A267 PolarHBondContact ND2-O 3.45Å; N231-A267 PolarHBondContact OD1-N 2.82Å
232	F	91.8	Very high	87.7	Confident	32 Å²	32	28.6 Å²	28.6	14%	0.14	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-50.9	169.9	-179.1	-102.1	0	0	0	111.4	L118 I120 I228 I230 L234 G235 F237 L528 L532	L118-F232 WeakPolarHBondContact O-CE2 3.43Å; L118-F232 WeakPolarHBondContact O-CZ 3.41Å; I120-F232 HydrophobicContact CB-CE1 4.39Å; I120-F232 HydrophobicContact CB-CZ 4.32Å; I120-F232 VanDerWaalsContact O-CE1 3.27Å; I120-F232 WeakPolarHBondContact O-CE1 3.49Å; I228-F232 VanDerWaalsContact O-CB 3.27Å; I228-F232 WeakPolarHBondContact O-CB 3.14Å; I228-F232 PolarHBondContact O-N 2.74Å; I230-F232 VanDerWaalsContact C-N 3.34Å; I230-F232 PolarHBondContact O-N 2.86Å; F232-L234 PolarHBondContact O-N 2.97Å; F232-G235 PolarHBondContact O-N 2.82Å; F232-F237 HydrophobicContact CB-CD2 3.94Å; F232-F237 HydrophobicContact CB-CE2 3.81Å; F232-F237 HydrophobicContact CD2-CD2 4.23Å; F232-L528 HydrophobicContact CD1-CD1 4.39Å; F232-L528 HydrophobicContact CD1-CD2 4.05Å; F232-L528 HydrophobicContact CD1-CG 4.3Å; F232-L528 HydrophobicContact CE1-CD1 4.4Å; F232-L532 HydrophobicContact CB-CD2 3.93Å; F232-L532 HydrophobicContact CD2-CD1 4.31Å; F232-L532 HydrophobicContact CD2-CD2 3.43Å; F232-L532 VanDerWaalsContact CD2-CD2 3.43Å; F232-L532 HydrophobicContact CE2-CD1 4.08Å; F232-L532 HydrophobicContact CE2-CD2 4.06Å; F232-L532 HydrophobicContact CG-CD2 3.71Å
233	V	88.1	Confident	86.4	Confident	7 Å²	7	28.9 Å²	28.9	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-29.4	178.9	172.8	0	0	0	0	112.1	R73 G229 I230 G235 V519 Y520 V524 L528	R73-V233 PolarHBondContact NH1-O 3.24Å; R73-V233 PolarHBondContact NH2-O 2.86Å; G229-V233 WeakPolarHBondContact O-CG2 3.48Å; G229-V233 PolarHBondContact O-N 2.67Å; I230-V233 PolarHBondContact O-N 3.45Å; V233-G235 VanDerWaalsContact C-N 3.33Å; V233-V519 HydrophobicContact CG1-CB 3.99Å; V233-V519 HydrophobicContact CG1-CG1 3.98Å; V233-Y520 HydrophobicContact CG1-CD2 3.91Å; V233-Y520 WeakPolarHBondContact O-CD2 3.45Å; V233-Y520 WeakPolarHBondContact O-CE2 3.21Å; V233-V524 HydrophobicContact CB-CG2 4.21Å; V233-V524 HydrophobicContact CG1-CG2 4.01Å; V233-V524 HydrophobicContact CG2-CG2 4.14Å; V233-L528 HydrophobicContact CG2-CD2 3.37Å
234	L	88.4	Confident	85.1	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-80.2	-12.4	173.7	-69.3	176.8	0	0	0	113.2	I230 N231 F232 R236 A267 Y429 V519 Y520	I230-L234 HydrophobicContact CD1-CD1 3.96Å; I230-L234 HydrophobicContact CD1-CG 3.96Å; I230-L234 HydrophobicContact CG1-CD1 3.82Å; I230-L234 HydrophobicContact CG1-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 2.89Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.32Å; I230-L234 PolarHBondContact O-N 2.77Å; N231-L234 PolarHBondContact O-N 2.76Å; F232-L234 PolarHBondContact O-N 2.97Å; L234-R236 HydrophobicContact CB-CG 3.77Å; L234-A267 HydrophobicContact CD1-CB 3.79Å; L234-Y429 HydrophobicContact CD1-CD2 4.31Å; L234-Y429 HydrophobicContact CD1-CE2 3.68Å; L234-V519 HydrophobicContact CD2-CG1 3.98Å; L234-Y520 HydrophobicContact CD2-CE2 3.94Å
235	G	88.8	Confident	84.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	25.6	-175.4	0	0	0	0	0	113.5	N231 F232 V233 F237 N238	N231-G235 PolarHBondContact O-N 2.83Å; F232-G235 PolarHBondContact O-N 2.82Å; V233-G235 VanDerWaalsContact C-N 3.33Å; G235-F237 PolarHBondContact O-N 2.87Å; G235-N238 WeakPolarHBondContact O-CB 3.39Å; G235-N238 PolarHBondContact O-N 3.1Å
236	R	91.1	Very high	83.6	Confident	15 Å²	15	35.5 Å²	35.5	6%	0.057	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.9	-180	-56.3	-56.8	-171.2	165	-26.8	113.3	N231 L234 E245 R265 T266	N231-R236 HydrophobicContact CB-CB 4Å; N231-R236 HydrophobicContact CB-CG 4.3Å; N231-R236 PolarHBondContact O-N 3.25Å; N231-R236 VanDerWaalsContact OD1-CG 3.29Å; N231-R236 WeakPolarHBondContact OD1-CG 3.32Å; L234-R236 HydrophobicContact CB-CG 3.77Å; R236-E245 IonicContact CZ-OE2 3.64Å; R236-E245 IonicContact NH1-OE2 3.27Å; R236-E245 PolarHBondContact NH1-OE2 2.77Å; R236-E245 IonicContact NH2-OE1 2.74Å; R236-E245 IonicContact NH2-OE2 2.68Å; R236-E245 PolarHBondContact NH2-OE2 3.43Å; R236-R265 VanDerWaalsContact CD-O 3.23Å; R236-R265 WeakPolarHBondContact CD-O 3.35Å; R236-R265 PolarHBondContact NE-O 2.84Å; R236-R265 PolarHBondContact NH1-O 2.9Å; R236-T266 HydrophobicContact CB-CG2 4.24Å
237	F	91.2	Very high	83.3	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.035	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.8	174	-54.8	-36.2	0	0	0	113	L117 W227 I228 N231 F232 G235 L307 H316 Y318 L532	L117-F237 HydrophobicContact CD1-CB 3.79Å; L117-F237 HydrophobicContact CD1-CD2 3.76Å; L117-F237 HydrophobicContact CD1-CG 4.05Å; W227-F237 HydrophobicContact CE3-CZ 4.43Å; W227-F237 AromaticContact CH2-CE1 3.72Å; W227-F237 HydrophobicContact CH2-CE1 3.72Å; W227-F237 HydrophobicContact CH2-CZ 4.13Å; W227-F237 AromaticContact CZ3-CE1 3.79Å; W227-F237 HydrophobicContact CZ3-CE1 3.79Å; W227-F237 AromaticContact CZ3-CZ 3.74Å; W227-F237 HydrophobicContact CZ3-CZ 3.74Å; I228-F237 HydrophobicContact CG2-CE2 4.03Å; I228-F237 HydrophobicContact CG2-CZ 4.39Å; I228-F237 WeakPolarHBondContact O-CE2 3.29Å; N231-F237 HydrophobicContact CB-CD1 4.4Å; N231-F237 HydrophobicContact CB-CE1 3.65Å; N231-F237 HydrophobicContact CB-CE2 4.01Å; N231-F237 HydrophobicContact CB-CZ 3.41Å; N231-F237 VanDerWaalsContact CB-CZ 3.41Å; F232-F237 HydrophobicContact CB-CD2 3.94Å; F232-F237 HydrophobicContact CB-CE2 3.81Å; F232-F237 HydrophobicContact CD2-CD2 4.23Å; G235-F237 PolarHBondContact O-N 2.87Å; F237-L307 HydrophobicContact CD1-CD1 4.24Å; F237-L307 HydrophobicContact CD2-CD1 4.07Å; F237-L307 HydrophobicContact CE1-CD1 3.83Å; F237-L307 HydrophobicContact CE2-CD1 3.63Å; F237-L307 HydrophobicContact CG-CD1 4.36Å; F237-L307 HydrophobicContact CZ-CD1 3.49Å; F237-L307 VanDerWaalsContact CZ-CD1 3.49Å; F237-H316 PolarHBondContact O-CE1 3.29Å; F237-Y318 HydrophobicContact CD1-CE1 4.26Å; F237-Y318 HydrophobicContact CD1-CE2 4.11Å; F237-Y318 AromaticContact CD1-CZ 3.64Å; F237-Y318 VanDerWaalsContact CD1-OH 3.29Å; F237-Y318 WeakPolarHBondContact CD1-OH 3.18Å; F237-Y318 HydrophobicContact CE1-CE1 4.14Å; F237-Y318 HydrophobicContact CE1-CE2 4.1Å; F237-Y318 AromaticContact CE1-CZ 3.81Å; F237-L532 HydrophobicContact CE2-CD2 4.43Å
238	N	84.6	Confident	82.9	Confident	81 Å²	81	38.9 Å²	38.9	43%	0.433	23%	0.23	S	C	.	.	S	Bend	trans	-71.1	155.7	176.1	-63.5	10.5	0	0	0	110.1	G235	G235-N238 WeakPolarHBondContact O-CB 3.39Å; G235-N238 PolarHBondContact O-N 3.1Å
239	H	76.1	Confident	82.4	Confident	73 Å²	73	43.5 Å²	43.5	34%	0.338	25%	0.252	S	S	.	.			trans	-55.8	155.3	175.5	-66.9	-55.8	0	0	0	112.4	R115 D241 K264	R115-H239 WeakPolarHBondContact CB-NE2 3.24Å; H239-D241 PolarHBondContact O-N 2.72Å; H239-K264 WeakPolarHBondContact O-CE 3.5Å; H239-K264 PolarHBondContact O-NZ 3.35Å; H239-K264 VanDerWaalsContact O-NZ 3.08Å
240	V	72.1	Confident	82.1	Confident	71 Å²	71	43.7 Å²	43.7	43%	0.43	25%	0.253	S	S	.	.			trans	-67.9	107	175.7	-178.3	0	0	0	0	107.8	V247	V240-V247 HydrophobicContact CG1-CG1 3.92Å; V240-V247 HydrophobicContact CG2-CG1 4.38Å
241	D	69.2	Low	81.8	Confident	92 Å²	92	46.4 Å²	46.4	49%	0.492	27%	0.267	S	S	.	.			trans	-105.5	165.1	169	-54.4	-49.4	0	0	0	108.1	H239 D243 K264	H239-D241 PolarHBondContact O-N 2.72Å; D241-D243 PolarHBondContact O-N 2.89Å; D241-K264 IonicContact OD2-NZ 2.91Å
242	N	58.2	Low	81.1	Confident	180 Å²	180	47.3 Å²	47.3	96%	0.963	27%	0.273	S	S	*	.	S	Bend	trans	-77.6	42.5	178.7	-126.6	6.2	0	0	0	111.9	G244	N242-G244 VanDerWaalsContact C-N 3.32Å; N242-G244 PolarHBondContact O-N 3Å
243	D	64.6	Low	80.2	Confident	20 Å²	20	47 Å²	47	11%	0.107	27%	0.274	C	S	.	.	S	Bend	trans	-88.4	7.8	-171.9	66.9	-5.4	0	0	0	114	R69 D241 E245 K264	R69-D243 IonicContact CZ-OD2 2.8Å; R69-D243 IonicContact NH1-OD2 3.4Å; R69-D243 PolarHBondContact NH1-OD2 3.17Å; R69-D243 IonicContact NH2-OD2 3.13Å; R69-D243 PolarHBondContact NH2-OD2 3.48Å; D241-D243 PolarHBondContact O-N 2.89Å; D243-E245 PolarHBondContact O-N 3.44Å; D243-E245 VanDerWaalsContact OD1-CB 3.29Å; D243-E245 WeakPolarHBondContact OD1-CB 3.44Å; D243-E245 WeakPolarHBondContact OD1-CG 3.49Å; D243-E245 PolarHBondContact OD1-N 3.04Å; D243-K264 IonicContact OD1-NZ 2.97Å; D243-K264 IonicContact OD2-NZ 3.96Å; D243-K264 PolarHBondContact OD2-NZ 3.16Å
244	G	66.1	Low	79.1	Confident	80 Å²	80	50.6 Å²	50.6	83%	0.825	31%	0.313	S	S	*	.			trans	74.3	6.5	-179.9	0	0	0	0	0	114.5	N242	N242-G244 VanDerWaalsContact C-N 3.32Å; N242-G244 PolarHBondContact O-N 3Å
245	E	77.6	Confident	78	Confident	41 Å²	41	52.7 Å²	52.7	19%	0.192	33%	0.326	C	S	.	.			trans	-69.9	140.2	174.4	-71	-71.4	177.3	0	0	111.3	R69 R236 D243 V247 K264	R69-E245 IonicContact NH1-OE1 3.88Å; R236-E245 IonicContact CZ-OE2 3.64Å; R236-E245 IonicContact NH1-OE2 3.27Å; R236-E245 PolarHBondContact NH1-OE2 2.77Å; R236-E245 IonicContact NH2-OE1 2.74Å; R236-E245 IonicContact NH2-OE2 2.68Å; R236-E245 PolarHBondContact NH2-OE2 3.43Å; D243-E245 PolarHBondContact O-N 3.44Å; D243-E245 VanDerWaalsContact OD1-CB 3.29Å; D243-E245 WeakPolarHBondContact OD1-CB 3.44Å; D243-E245 WeakPolarHBondContact OD1-CG 3.49Å; D243-E245 PolarHBondContact OD1-N 3.04Å; E245-V247 PolarHBondContact O-N 3.38Å; E245-K264 HydrophobicContact CB-CD 4.36Å; E245-K264 HydrophobicContact CB-CG 4.46Å
246	A	83	Confident	76.5	Confident	34 Å²	34	60 Å²	60	28%	0.281	37%	0.365	S	S	.	.			trans	-61.2	133.7	176.1	0	0	0	0	0	110.2	R265	A246-R265 HydrophobicContact CB-CB 4.13Å; A246-R265 VanDerWaalsContact O-CB 3.25Å; A246-R265 WeakPolarHBondContact O-CB 3.42Å; A246-R265 PolarHBondContact O-N 2.95Å
247	V	86.5	Confident	74.6	Confident	62 Å²	62	68.3 Å²	68.3	38%	0.376	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	153.9	176.4	-66.2	0	0	0	0	111	V240 E245 M262 R263	V240-V247 HydrophobicContact CG1-CG1 3.92Å; V240-V247 HydrophobicContact CG2-CG1 4.38Å; E245-V247 PolarHBondContact O-N 3.38Å; V247-M262 HydrophobicContact CB-CE 4.04Å; V247-M262 HydrophobicContact CG2-CE 3.64Å; V247-R263 CarbonylContact C-O 3.56Å; V247-R263 VanDerWaalsContact CA-O 3.27Å; V247-R263 WeakPolarHBondContact CA-O 3.3Å
248	V	86.9	Confident	73	Confident	17 Å²	17	73.3 Å²	73.3	10%	0.103	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146	176.3	-68.5	0	0	0	0	110.5	V250 R263 R265	V248-V250 HydrophobicContact CG2-CG2 4.04Å; V248-R263 HydrophobicContact CG2-CG 4.48Å; V248-R263 PolarHBondContact N-O 2.8Å; V248-R263 PolarHBondContact O-N 3.42Å; V248-R263 VanDerWaalsContact O-N 3.1Å; V248-R265 HydrophobicContact CG1-CB 3.85Å; V248-R265 HydrophobicContact CG1-CG 3.75Å
249	E	86.9	Confident	72	Confident	97 Å²	97	78.5 Å²	78.5	45%	0.453	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.3	169.4	-177.4	-176	-163.9	0	0	109.5	A260 M262	E249-A260 HydrophobicContact CG-CB 3.44Å; E249-A260 VanDerWaalsContact CG-CB 3.44Å; E249-A260 WeakPolarHBondContact OE1-CB 3.06Å; E249-M262 VanDerWaalsContact CA-SD 3.59Å; E249-M262 HydrophobicContact CB-SD 3.76Å; E249-M262 HydrophobicContact CG-SD 4.3Å
250	V	85.9	Confident	72	Confident	4 Å²	4	76.9 Å²	76.9	2%	0.024	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130	-172.6	-179.1	0	0	0	0	111.3	V248 L261 R263 P284	V248-V250 HydrophobicContact CG2-CG2 4.04Å; V250-L261 HydrophobicContact CB-CB 4.46Å; V250-L261 PolarHBondContact N-O 2.91Å; V250-L261 PolarHBondContact O-N 3.31Å; V250-R263 HydrophobicContact CG2-CG 3.81Å; V250-P284 WeakPolarHBondContact CA-O 3.29Å; V250-P284 HydrophobicContact CG2-CB 4Å
251	N	85.7	Confident	72.6	Confident	56 Å²	56	75.6 Å²	75.6	30%	0.299	44%	0.439	S	S	.	.			trans	-94.7	107.4	170.9	-64.4	-3.9	0	0	0	109.1	P284 T286	N251-P284 PolarHBondContact N-O 2.91Å; N251-T286 PolarHBondContact ND2-OG1 2.77Å
252	V	80.1	Confident	73.4	Confident	19 Å²	19	76 Å²	76	12%	0.115	44%	0.439	C	S	.	.			trans	-65.1	130.4	178.4	-177.9	0	0	0	0	109.6	G254 T255 T314 V317	V252-G254 PolarHBondContact O-N 3.42Å; V252-T255 PolarHBondContact O-OG1 3.01Å; V252-T314 HydrophobicContact CG1-CG2 4.08Å; V252-V317 HydrophobicContact CG1-CB 4.35Å; V252-V317 HydrophobicContact CG1-CG1 4.09Å
253	P	73.3	Confident	74.8	Confident	26 Å²	26	68.2 Å²	68.2	17%	0.169	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.8	175.6	-15.7	21.7	0	0	0	112.7	T255 E304 V317 R319	P253-T255 PolarHBondContact O-N 3.23Å; P253-E304 WeakPolarHBondContact CB-OE1 3.41Å; P253-E304 WeakPolarHBondContact CB-OE2 3.4Å; P253-E304 HydrophobicContact CG-CG 4.09Å; P253-E304 WeakPolarHBondContact CG-OE1 3.22Å; P253-V317 HydrophobicContact CG-CG1 4.44Å; P253-R319 VanDerWaalsContact CA-NH2 3.28Å; P253-R319 HydrophobicContact CG-CB 4.38Å
254	G	65.3	Low	76	Confident	83 Å²	83	67.3 Å²	67.3	86%	0.856	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	7.3	169.6	0	0	0	0	0	116.1	V252	V252-G254 PolarHBondContact O-N 3.42Å
255	T	64.9	Low	77.3	Confident	47 Å²	47	65.4 Å²	65.4	29%	0.288	36%	0.359	S	S	.	.			trans	-117.5	92.6	176.3	54.2	0	0	0	0	110.6	V252 P253 H257 Q258	V252-T255 PolarHBondContact O-OG1 3.01Å; P253-T255 PolarHBondContact O-N 3.23Å; T255-H257 PolarHBondContact O-N 2.89Å; T255-H257 VanDerWaalsContact O-N 3.16Å; T255-Q258 HydrophobicContact CG2-CG 4.42Å
256	D	56.7	Low	78.1	Confident	155 Å²	155	64 Å²	64	83%	0.829	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-4	-179.3	-70	-31.8	0	0	0	113.9
257	H	52.1	Low	78.7	Confident	188 Å²	188	62.4 Å²	62.4	87%	0.87	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	12.2	-170.7	-60	-41.2	0	0	0	115.4	T255	T255-H257 PolarHBondContact O-N 2.89Å; T255-H257 VanDerWaalsContact O-N 3.16Å
258	Q	57.5	Low	79.2	Confident	114 Å²	114	59.6 Å²	59.6	53%	0.533	32%	0.324	S	S	.	.	S	Bend	trans	-96.1	140.5	173.5	-77.4	-170	-24.9	0	0	111.1	T255	T255-Q258 HydrophobicContact CG2-CG 4.42Å
259	E	63.8	Low	79.6	Confident	190 Å²	190	58.9 Å²	58.9	89%	0.888	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-56.1	141.7	170.5	-68	-178.9	167.4	0	0	109.9	L261	E259-L261 PolarHBondContact O-N 3.18Å
260	A	75.4	Confident	80.1	Confident	39 Å²	39	54.3 Å²	54.3	32%	0.322	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59	130.7	179	0	0	0	0	0	110.3	E249	E249-A260 HydrophobicContact CG-CB 3.44Å; E249-A260 VanDerWaalsContact CG-CB 3.44Å; E249-A260 WeakPolarHBondContact OE1-CB 3.06Å
261	L	84.1	Confident	80.4	Confident	44 Å²	44	54.7 Å²	54.7	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.2	-178.6	-177.5	75.7	0	0	0	109.3	V250 E259	V250-L261 HydrophobicContact CB-CB 4.46Å; V250-L261 PolarHBondContact N-O 2.91Å; V250-L261 PolarHBondContact O-N 3.31Å; E259-L261 PolarHBondContact O-N 3.18Å
262	M	85.7	Confident	80.8	Confident	101 Å²	101	52 Å²	52	50%	0.498	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123	168.9	-66.7	-60.6	-64.6	0	0	109.9	V247 E249	V247-M262 HydrophobicContact CB-CE 4.04Å; V247-M262 HydrophobicContact CG2-CE 3.64Å; E249-M262 VanDerWaalsContact CA-SD 3.59Å; E249-M262 HydrophobicContact CB-SD 3.76Å; E249-M262 HydrophobicContact CG-SD 4.3Å
263	R	88.4	Confident	81.3	Confident	15 Å²	15	52 Å²	52	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	167.6	173.9	66	173.4	171.7	-143.4	-4.7	112.9	V247 V248 V250 R265 E282 D315 V317 Y318	V247-R263 CarbonylContact C-O 3.56Å; V247-R263 VanDerWaalsContact CA-O 3.27Å; V247-R263 WeakPolarHBondContact CA-O 3.3Å; V248-R263 HydrophobicContact CG2-CG 4.48Å; V248-R263 PolarHBondContact N-O 2.8Å; V248-R263 PolarHBondContact O-N 3.42Å; V248-R263 VanDerWaalsContact O-N 3.1Å; V250-R263 HydrophobicContact CG2-CG 3.81Å; R263-R265 PolarHBondContact O-N 3.08Å; R263-E282 IonicContact CZ-OE1 3.53Å; R263-E282 VanDerWaalsContact CZ-OE1 3.25Å; R263-E282 IonicContact NE-OE1 3.06Å; R263-E282 PolarHBondContact NE-OE1 3.48Å; R263-E282 IonicContact NH2-OE1 3.79Å; R263-E282 PolarHBondContact NH2-OE1 2.75Å; R263-D315 PolarHBondContact NH1-O 3.06Å; R263-V317 PolarHBondContact NH1-O 3.49Å; R263-V317 PolarHBondContact NH2-O 3.47Å; R263-V317 VanDerWaalsContact NH2-O 3.08Å; R263-Y318 VanDerWaalsContact NE-CE1 3.32Å; R263-Y318 VanDerWaalsContact NH1-CE1 3.26Å
264	K	90.8	Very high	82.1	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	134.2	175.2	-68	-176.2	-179.5	174.8	0	109.8	H239 D241 D243 E245 T266	H239-K264 WeakPolarHBondContact O-CE 3.5Å; H239-K264 PolarHBondContact O-NZ 3.35Å; H239-K264 VanDerWaalsContact O-NZ 3.08Å; D241-K264 IonicContact OD2-NZ 2.91Å; D243-K264 IonicContact OD1-NZ 2.97Å; D243-K264 IonicContact OD2-NZ 3.96Å; D243-K264 PolarHBondContact OD2-NZ 3.16Å; E245-K264 HydrophobicContact CB-CD 4.36Å; E245-K264 HydrophobicContact CB-CG 4.46Å; K264-T266 PolarHBondContact O-N 3.44Å
265	R	92.6	Very high	83.4	Confident	40 Å²	40	48.6 Å²	48.6	15%	0.151	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60.3	127.4	174.4	-172	-177.7	68.2	-168.7	0.5	109.3	R236 A246 V248 R263 N425	R236-R265 VanDerWaalsContact CD-O 3.23Å; R236-R265 WeakPolarHBondContact CD-O 3.35Å; R236-R265 PolarHBondContact NE-O 2.84Å; R236-R265 PolarHBondContact NH1-O 2.9Å; A246-R265 HydrophobicContact CB-CB 4.13Å; A246-R265 VanDerWaalsContact O-CB 3.25Å; A246-R265 WeakPolarHBondContact O-CB 3.42Å; A246-R265 PolarHBondContact O-N 2.95Å; V248-R265 HydrophobicContact CG1-CB 3.85Å; V248-R265 HydrophobicContact CG1-CG 3.75Å; R263-R265 PolarHBondContact O-N 3.08Å; R265-N425 WeakPolarHBondContact CD-O 3.41Å; R265-N425 WeakPolarHBondContact CD-OD1 3.48Å; R265-N425 PolarHBondContact NH1-OD1 2.93Å
266	T	94.9	Very high	84.8	Confident	12 Å²	12	46.5 Å²	46.5	7%	0.074	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-82.5	160.4	175.8	61.8	0	0	0	0	111.4	W227 N231 R236 K264 E282 Y318	W227-T266 HydrophobicContact CH2-CG2 4.04Å; W227-T266 HydrophobicContact CZ2-CG2 3.57Å; N231-T266 WeakPolarHBondContact OD1-CA 3.27Å; N231-T266 WeakPolarHBondContact OD1-CB 3.25Å; R236-T266 HydrophobicContact CB-CG2 4.24Å; K264-T266 PolarHBondContact O-N 3.44Å; T266-E282 WeakPolarHBondContact CB-OE2 3.43Å; T266-E282 WeakPolarHBondContact CG2-OE2 3.33Å; T266-E282 WeakPolarHBondContact OG1-CB 3.36Å; T266-E282 PolarHBondContact OG1-OE2 2.85Å; T266-Y318 HydrophobicContact CG2-CE1 4.23Å
267	A	95.4	Very high	86.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-96.9	136.6	171.6	0	0	0	0	0	110	W227 N231 L234 Q427 Y429	W227-A267 PolarHBondContact NE1-O 2.93Å; N231-A267 PolarHBondContact ND2-O 3.45Å; N231-A267 PolarHBondContact OD1-N 2.82Å; L234-A267 HydrophobicContact CD1-CB 3.79Å; A267-Q427 CarbonylContact C-O 3.54Å; A267-Q427 WeakPolarHBondContact CA-O 3.22Å; A267-Y429 HydrophobicContact CB-CD2 3.93Å; A267-Y429 HydrophobicContact CB-CE2 4.15Å
268	G	96.6	Very high	88.6	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	163.4	167.9	0	0	0	0	0	112	A280 Q427 F428 Y429	G268-A280 CarbonylContact C-O 3.41Å; G268-A280 VanDerWaalsContact CA-O 3.23Å; G268-A280 WeakPolarHBondContact CA-O 3.23Å; G268-Q427 PolarHBondContact N-O 3.34Å; G268-F428 CarbonylContact O-C 3.54Å; G268-F428 VanDerWaalsContact O-CA 3.31Å; G268-F428 WeakPolarHBondContact O-CA 3.14Å; G268-Y429 PolarHBondContact O-N 2.85Å
269	V	95.9	Very high	90.5	Very high	3 Å²	3	25 Å²	25	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.1	-179.1	175.9	0	0	0	0	110.1	A226 W227 I230 I279 A280 Y429 F431	A226-V269 HydrophobicContact CB-CG1 3.9Å; W227-V269 HydrophobicContact CB-CG2 4.43Å; I230-V269 HydrophobicContact CB-CG2 4.1Å; I230-V269 HydrophobicContact CG2-CG2 3.23Å; V269-I279 WeakPolarHBondContact O-CA 3.31Å; V269-A280 PolarHBondContact N-O 3.44Å; V269-A280 PolarHBondContact O-N 3.44Å; V269-Y429 WeakPolarHBondContact CA-O 3.48Å; V269-F431 HydrophobicContact CB-CE2 4.38Å; V269-F431 HydrophobicContact CG1-CD2 3.58Å; V269-F431 HydrophobicContact CG1-CE2 3.6Å; V269-F431 HydrophobicContact CG2-CE2 4.04Å
270	L	95.9	Very high	92.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.1	165.7	-63.1	170.2	0	0	0	107.2	Q278 I279 F428 Y429 G430 F431 F434 L500 F504 F506 L513	L270-Q278 WeakPolarHBondContact CA-O 3.47Å; L270-I279 HydrophobicContact CD2-CB 3.81Å; L270-I279 HydrophobicContact CD2-CD1 3.68Å; L270-I279 HydrophobicContact CD2-CG1 3.58Å; L270-F428 HydrophobicContact CD1-CD1 4.49Å; L270-F428 HydrophobicContact CG-CD1 4.1Å; L270-Y429 PolarHBondContact N-O 2.85Å; L270-G430 CarbonylContact O-C 3.53Å; L270-G430 VanDerWaalsContact O-CA 3.3Å; L270-G430 WeakPolarHBondContact O-CA 3.42Å; L270-F431 PolarHBondContact O-N 2.99Å; L270-F434 HydrophobicContact CB-CD2 3.98Å; L270-F434 HydrophobicContact CB-CE2 3.54Å; L270-F434 HydrophobicContact CB-CZ 3.87Å; L270-F434 HydrophobicContact CD1-CE1 4.38Å; L270-F434 HydrophobicContact CD1-CZ 4.22Å; L270-L500 HydrophobicContact CD1-CD1 3.72Å; L270-F504 HydrophobicContact CD2-CD2 3.79Å; L270-F504 HydrophobicContact CD2-CE2 3.86Å; L270-F506 HydrophobicContact CD1-CE2 4.29Å; L270-F506 HydrophobicContact CD1-CZ 4.09Å; L270-F506 HydrophobicContact CD2-CE2 4.48Å; L270-L513 HydrophobicContact CD1-CD1 4.12Å
271	D	93.4	Very high	93.1	Very high	12 Å²	12	14.7 Å²	14.7	6%	0.064	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.6	176	-169.2	4.9	0	0	0	108.8	T277 Q278 F431 S432	D271-T277 CarbonylContact O-C 3.52Å; D271-T277 VanDerWaalsContact O-CA 3.3Å; D271-T277 WeakPolarHBondContact O-CA 3.49Å; D271-Q278 HydrophobicContact CB-CB 4.43Å; D271-Q278 PolarHBondContact N-O 3.1Å; D271-Q278 PolarHBondContact O-N 2.86Å; D271-Q278 PolarHBondContact O-OE1 2.96Å; D271-F431 HydrophobicContact CB-CB 4.43Å; D271-S432 WeakPolarHBondContact OD1-CB 3.44Å; D271-S432 PolarHBondContact OD1-OG 3.11Å
272	M	94.1	Very high	93.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	96.6	176.1	176.3	179.9	-64.8	0	0	108	T277 S432 E433 F434 M496 V499	M272-T277 HydrophobicContact CB-CG2 4.36Å; M272-T277 HydrophobicContact CE-CG2 4.47Å; M272-T277 WeakPolarHBondContact CG-OG1 3.26Å; M272-S432 WeakPolarHBondContact O-CB 3.27Å; M272-E433 HydrophobicContact CB-CB 3.91Å; M272-E433 HydrophobicContact CG-CB 3.67Å; M272-E433 HydrophobicContact CG-CG 4.05Å; M272-E433 VanDerWaalsContact O-CB 3.29Å; M272-E433 WeakPolarHBondContact O-CB 3.17Å; M272-E433 WeakPolarHBondContact O-CG 3.36Å; M272-E433 PolarHBondContact O-N 3.22Å; M272-E433 HydrophobicContact SD-CB 3.77Å; M272-E433 HydrophobicContact SD-CG 4.4Å; M272-F434 HydrophobicContact CB-CD2 3.81Å; M272-F434 HydrophobicContact CB-CE2 3.64Å; M272-F434 HydrophobicContact CB-CZ 4.49Å; M272-F434 HydrophobicContact CE-CE2 4.49Å; M272-F434 HydrophobicContact CE-CZ 4.3Å; M272-M496 HydrophobicContact SD-CB 4.46Å; M272-V499 HydrophobicContact CE-CB 3.77Å; M272-V499 HydrophobicContact CE-CG1 3.71Å; M272-V499 HydrophobicContact CE-CG2 3.89Å
273	G	90	Very high	93.9	Very high	18 Å²	18	9.3 Å²	9.3	19%	0.186	5%	0.054	C	C	.	.			trans	-78.5	-168.4	175.9	0	0	0	0	0	112.9	S276 G329 G330	G273-S276 WeakPolarHBondContact CA-O 3.38Å; G273-S276 PolarHBondContact N-O 3.08Å; G273-G329 CarbonylContact O-C 3.32Å; G273-G329 WeakPolarHBondContact O-CA 3.33Å; G273-G330 PolarHBondContact O-N 3.29Å
274	G	89.8	Confident	93.8	Very high	14 Å²	14	10.4 Å²	10.4	14%	0.144	6%	0.064	C	C	.	.	S	Bend	trans	-68.9	-43.2	175.8	0	0	0	0	0	113	G329 N331 A332	G274-G329 CarbonylContact O-C 3.59Å; G274-G329 VanDerWaalsContact O-C 3.31Å; G274-N331 WeakPolarHBondContact O-CA 3.35Å; G274-N331 WeakPolarHBondContact O-CB 3.37Å; G274-N331 PolarHBondContact O-N 3.03Å; G274-A332 PolarHBondContact O-N 2.89Å
275	V	93	Very high	93.5	Very high	25 Å²	25	16.4 Å²	16.4	15%	0.152	9%	0.09	C	C	.	.	S	Bend	trans	-106	-35.8	-172.7	175.2	0	0	0	0	113.2	A180 I184 L326 G327 F328 G329	A180-V275 HydrophobicContact CB-CB 3.84Å; A180-V275 HydrophobicContact CB-CG1 3.96Å; I184-V275 HydrophobicContact CG2-CG1 4.07Å; V275-L326 HydrophobicContact CG1-CD2 4.25Å; V275-G327 WeakPolarHBondContact O-CA 3.42Å; V275-G327 PolarHBondContact O-N 3.04Å; V275-F328 PolarHBondContact O-N 3.04Å; V275-G329 PolarHBondContact O-N 3.43Å; V275-G329 VanDerWaalsContact O-N 3.09Å
276	S	93.8	Very high	92.8	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	162.8	-179.4	56.6	0	0	0	0	113.1	A180 G273 Q278 F325 G329	A180-S276 WeakPolarHBondContact CB-OG 3.28Å; G273-S276 WeakPolarHBondContact CA-O 3.38Å; G273-S276 PolarHBondContact N-O 3.08Å; S276-Q278 PolarHBondContact OG-NE2 2.83Å; S276-F325 VanDerWaalsContact CA-O 3.26Å; S276-F325 WeakPolarHBondContact CA-O 3.48Å; S276-F325 WeakPolarHBondContact CB-O 3.36Å; S276-G329 WeakPolarHBondContact O-CA 3.4Å
277	T	95.1	Very high	91.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.9	165.2	-66.1	0	0	0	0	109.4	D271 M272 T324 F325 F328 V499 F504	D271-T277 CarbonylContact O-C 3.52Å; D271-T277 VanDerWaalsContact O-CA 3.3Å; D271-T277 WeakPolarHBondContact O-CA 3.49Å; M272-T277 HydrophobicContact CB-CG2 4.36Å; M272-T277 HydrophobicContact CE-CG2 4.47Å; M272-T277 WeakPolarHBondContact CG-OG1 3.26Å; T277-T324 WeakPolarHBondContact O-CA 3.3Å; T277-F325 PolarHBondContact N-O 3.21Å; T277-F325 VanDerWaalsContact N-O 3.14Å; T277-F325 WeakPolarHBondContact O-CD2 3.22Å; T277-F325 PolarHBondContact O-N 2.98Å; T277-F328 PolarHBondContact OG1-O 2.99Å; T277-V499 HydrophobicContact CG2-CG1 4.21Å; T277-F504 HydrophobicContact CG2-CE2 3.95Å; T277-F504 HydrophobicContact CG2-CZ 3.88Å
278	Q	94.8	Very high	91	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.1	-179.4	-65.7	85.4	-23.7	0	0	109.7	E222 L270 D271 S276 S323 T324	E222-Q278 PolarHBondContact OE1-NE2 3.22Å; E222-Q278 PolarHBondContact OE2-NE2 3.46Å; L270-Q278 WeakPolarHBondContact CA-O 3.47Å; D271-Q278 HydrophobicContact CB-CB 4.43Å; D271-Q278 PolarHBondContact N-O 3.1Å; D271-Q278 PolarHBondContact O-N 2.86Å; D271-Q278 PolarHBondContact O-OE1 2.96Å; S276-Q278 PolarHBondContact OG-NE2 2.83Å; Q278-S323 WeakPolarHBondContact CA-O 3.46Å; Q278-T324 HydrophobicContact CG-CG2 3.87Å
279	I	96.6	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.3	169.1	179.9	169.5	0	0	0	108.1	V269 L270 Y281 Y321 V322 S323 F325 I421 F428 F504 F506	V269-I279 WeakPolarHBondContact O-CA 3.31Å; L270-I279 HydrophobicContact CD2-CB 3.81Å; L270-I279 HydrophobicContact CD2-CD1 3.68Å; L270-I279 HydrophobicContact CD2-CG1 3.58Å; I279-Y281 HydrophobicContact CD1-CD1 4.09Å; I279-Y281 HydrophobicContact CD1-CE1 3.84Å; I279-Y281 HydrophobicContact CG1-CD1 3.89Å; I279-Y281 HydrophobicContact CG1-CE1 4Å; I279-Y321 HydrophobicContact CG2-CE1 3.9Å; I279-V322 WeakPolarHBondContact O-CA 3.41Å; I279-S323 PolarHBondContact N-O 2.89Å; I279-S323 PolarHBondContact O-N 2.64Å; I279-F325 HydrophobicContact CG2-CE2 3.94Å; I279-I421 HydrophobicContact CD1-CD1 4.45Å; I279-F428 HydrophobicContact CG1-CE1 4.48Å; I279-F504 HydrophobicContact CB-CE1 4.34Å; I279-F504 HydrophobicContact CB-CE2 4.45Å; I279-F504 HydrophobicContact CB-CZ 4.16Å; I279-F504 HydrophobicContact CD1-CB 4.44Å; I279-F504 HydrophobicContact CD1-CD1 4.11Å; I279-F504 HydrophobicContact CD1-CD2 4.37Å; I279-F504 HydrophobicContact CD1-CE1 4.5Å; I279-F504 HydrophobicContact CD1-CG 4.06Å; I279-F504 HydrophobicContact CG2-CD1 4.47Å; I279-F504 HydrophobicContact CG2-CE1 3.93Å; I279-F504 HydrophobicContact CG2-CZ 4.14Å; I279-F506 HydrophobicContact CD1-CE2 4.4Å
280	A	96.9	Very high	89.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	129	178.1	0	0	0	0	0	111.5	G223 W227 G268 V269 V320 Y321 V322	G223-A280 WeakPolarHBondContact O-CB 3.18Å; W227-A280 HydrophobicContact CB-CB 3.9Å; G268-A280 CarbonylContact C-O 3.41Å; G268-A280 VanDerWaalsContact CA-O 3.23Å; G268-A280 WeakPolarHBondContact CA-O 3.23Å; V269-A280 PolarHBondContact N-O 3.44Å; V269-A280 PolarHBondContact O-N 3.44Å; A280-V320 HydrophobicContact CB-CG1 4.28Å; A280-Y321 CarbonylContact C-O 3.6Å; A280-Y321 WeakPolarHBondContact CA-O 3.43Å; A280-V322 HydrophobicContact CB-CG1 4.38Å; A280-V322 HydrophobicContact CB-CG2 3.87Å
281	Y	96.4	Very high	88.9	Confident	13 Å²	13	34.3 Å²	34.3	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	153.9	174.4	57.1	-91.1	0	0	0	111.7	I279 V283 V320 Y321 Q418 P419 I421 F428	I279-Y281 HydrophobicContact CD1-CD1 4.09Å; I279-Y281 HydrophobicContact CD1-CE1 3.84Å; I279-Y281 HydrophobicContact CG1-CD1 3.89Å; I279-Y281 HydrophobicContact CG1-CE1 4Å; Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE2-CG2 4.25Å; Y281-V320 CarbonylContact O-C 3.6Å; Y281-V320 WeakPolarHBondContact O-CA 3.49Å; Y281-Y321 AromaticContact CD1-CD1 3.91Å; Y281-Y321 HydrophobicContact CD1-CD1 3.91Å; Y281-Y321 AromaticContact CE1-CD1 3.25Å; Y281-Y321 HydrophobicContact CE1-CD1 3.25Å; Y281-Y321 AromaticContact CE1-CE1 3.7Å; Y281-Y321 HydrophobicContact CE1-CE1 3.7Å; Y281-Y321 HydrophobicContact CE1-CG 4.23Å; Y281-Y321 HydrophobicContact CE2-CD1 4.27Å; Y281-Y321 AromaticContact CZ-CD1 3.44Å; Y281-Y321 VanDerWaalsContact CZ-CD1 3.44Å; Y281-Y321 PolarHBondContact N-O 3.45Å; Y281-Y321 PolarHBondContact O-N 3.27Å; Y281-Q418 WeakPolarHBondContact OH-CG 3.36Å; Y281-P419 HydrophobicContact CE2-CB 4.29Å; Y281-P419 WeakPolarHBondContact OH-CB 3.17Å; Y281-P419 VanDerWaalsContact OH-CD 3.3Å; Y281-P419 WeakPolarHBondContact OH-CD 3.49Å; Y281-P419 PolarHBondContact OH-O 3.42Å; Y281-I421 HydrophobicContact CD1-CD1 4.43Å; Y281-I421 HydrophobicContact CE1-CD1 3.89Å; Y281-I421 HydrophobicContact CE1-CG1 3.96Å; Y281-I421 HydrophobicContact CE2-CG1 4.01Å; Y281-F428 AromaticContact CD1-CE1 3.83Å; Y281-F428 HydrophobicContact CD1-CE1 3.83Å; Y281-F428 AromaticContact CD1-CZ 3.78Å; Y281-F428 HydrophobicContact CD1-CZ 3.78Å; Y281-F428 HydrophobicContact CG-CE1 4.17Å; Y281-F428 AromaticContact CG-CZ 3.86Å; Y281-F428 HydrophobicContact CG-CZ 3.86Å
282	E	95.2	Very high	88.5	Confident	17 Å²	17	38.3 Å²	38.3	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.7	179	-173.7	-179.2	176	0	0	111.1	W227 R263 T266 P284 R319	W227-E282 HydrophobicContact CZ2-CB 4.02Å; R263-E282 IonicContact CZ-OE1 3.53Å; R263-E282 VanDerWaalsContact CZ-OE1 3.25Å; R263-E282 IonicContact NE-OE1 3.06Å; R263-E282 PolarHBondContact NE-OE1 3.48Å; R263-E282 IonicContact NH2-OE1 3.79Å; R263-E282 PolarHBondContact NH2-OE1 2.75Å; T266-E282 WeakPolarHBondContact CB-OE2 3.43Å; T266-E282 WeakPolarHBondContact CG2-OE2 3.33Å; T266-E282 WeakPolarHBondContact OG1-CB 3.36Å; T266-E282 PolarHBondContact OG1-OE2 2.85Å; E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.11Å; E282-R319 WeakPolarHBondContact CA-O 3.09Å
283	V	92.1	Very high	87.9	Confident	14 Å²	14	44.5 Å²	44.5	9%	0.085	27%	0.269	C	S	.	.			trans	-112.8	86.5	172.7	-175.1	0	0	0	0	107.9	Y281 V287 L302 R319 P419	Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE2-CG2 4.25Å; V283-V287 HydrophobicContact CG1-CG2 3.33Å; V283-L302 HydrophobicContact CB-CD2 4.45Å; V283-L302 HydrophobicContact CG2-CD2 3.99Å; V283-R319 HydrophobicContact CB-CG 4.48Å; V283-R319 PolarHBondContact N-O 2.95Å; V283-P419 HydrophobicContact CG2-CB 4.46Å; V283-P419 HydrophobicContact CG2-CG 4.37Å
284	P	86.8	Confident	87.5	Confident	38 Å²	38	45.2 Å²	45.2	25%	0.247	27%	0.268	C	S	.	.			trans	-74.4	-29.6	-167.4	28.1	-35.3	0	0	0	113.1	V250 N251 E282	V250-P284 WeakPolarHBondContact CA-O 3.29Å; V250-P284 HydrophobicContact CG2-CB 4Å; N251-P284 PolarHBondContact N-O 2.91Å; E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.11Å
285	K	84.1	Confident	87.2	Confident	128 Å²	128	47.9 Å²	47.9	56%	0.557	28%	0.276	S	S	*	.	S	Bend	trans	-99.1	159.5	-178.4	-65.2	-174	176.8	-173.4	0	111.6	V287	K285-V287 PolarHBondContact O-N 2.87Å
286	T	77.8	Confident	86.9	Confident	101 Å²	101	53.1 Å²	53.1	62%	0.62	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-60.9	129.2	171.5	-48.6	0	0	0	0	109.8	N251	N251-T286 PolarHBondContact ND2-OG1 2.77Å
287	V	76.6	Confident	86.4	Confident	34 Å²	34	56.4 Å²	56.4	21%	0.206	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-89.2	125.5	178.8	-176.4	0	0	0	0	109.2	V283 K285 F289 Y417	V283-V287 HydrophobicContact CG1-CG2 3.33Å; K285-V287 PolarHBondContact O-N 2.87Å; V287-F289 HydrophobicContact CB-CE1 4.04Å; V287-F289 HydrophobicContact CB-CE2 4.31Å; V287-F289 HydrophobicContact CB-CZ 3.82Å; V287-F289 HydrophobicContact CG1-CD1 3.93Å; V287-F289 HydrophobicContact CG1-CE1 3.51Å; V287-F289 HydrophobicContact CG1-CE2 4.48Å; V287-F289 HydrophobicContact CG1-CZ 3.84Å; V287-Y417 WeakPolarHBondContact CG1-OH 3.23Å
288	S	77.1	Confident	85.9	Confident	107 Å²	107	56.4 Å²	56.4	75%	0.748	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-85.5	118	166.5	56.5	0	0	0	0	109.4
289	F	81.9	Confident	85.4	Confident	57 Å²	57	62 Å²	62	25%	0.25	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-88.7	143.3	176.3	-56.1	-72.7	0	0	0	110.8	V287 S291 E295 A298 L302 Y417	V287-F289 HydrophobicContact CB-CE1 4.04Å; V287-F289 HydrophobicContact CB-CE2 4.31Å; V287-F289 HydrophobicContact CB-CZ 3.82Å; V287-F289 HydrophobicContact CG1-CD1 3.93Å; V287-F289 HydrophobicContact CG1-CE1 3.51Å; V287-F289 HydrophobicContact CG1-CE2 4.48Å; V287-F289 HydrophobicContact CG1-CZ 3.84Å; F289-S291 VanDerWaalsContact C-N 3.31Å; F289-E295 HydrophobicContact CB-CB 3.99Å; F289-E295 HydrophobicContact CD1-CB 4.34Å; F289-E295 HydrophobicContact CD2-CB 3.64Å; F289-E295 HydrophobicContact CD2-CG 3.54Å; F289-E295 HydrophobicContact CE2-CB 4.21Å; F289-E295 HydrophobicContact CE2-CG 3.71Å; F289-E295 HydrophobicContact CG-CB 3.71Å; F289-E295 HydrophobicContact CG-CG 4.14Å; F289-E295 HydrophobicContact CZ-CG 4.42Å; F289-A298 HydrophobicContact CD1-CB 3.98Å; F289-A298 HydrophobicContact CE1-CB 3.29Å; F289-A298 HydrophobicContact CZ-CB 3.94Å; F289-L302 HydrophobicContact CZ-CD1 4.41Å; F289-Y417 HydrophobicContact CE1-CE1 4.39Å
290	A	80.3	Confident	85	Confident	90 Å²	90	67.6 Å²	67.6	74%	0.744	37%	0.373	S	S	*	.	S	Bend	trans	-73.3	-24.9	178.9	0	0	0	0	0	112.5
291	S	81.9	Confident	84.7	Confident	45 Å²	45	68.8 Å²	68.8	32%	0.315	38%	0.379	S	S	.	.	S	Bend	trans	-153.4	159	177.8	69.4	0	0	0	0	112.1	F289 Q293 Q294 E295	F289-S291 VanDerWaalsContact C-N 3.31Å; S291-Q293 VanDerWaalsContact C-N 3.27Å; S291-Q293 PolarHBondContact O-N 3.43Å; S291-Q294 WeakPolarHBondContact O-CB 3.47Å; S291-Q294 PolarHBondContact O-N 2.79Å; S291-Q294 PolarHBondContact OG-N 2.96Å; S291-E295 PolarHBondContact O-N 3.38Å; S291-E295 VanDerWaalsContact O-N 3.11Å
292	P	83.5	Confident	84.5	Confident	95 Å²	95	69.1 Å²	69.1	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-59.1	-34.8	174.3	-25.1	35	0	0	0	113.7	E295 E296	P292-E295 WeakPolarHBondContact O-CB 3.26Å; P292-E295 PolarHBondContact O-N 2.86Å; P292-E296 PolarHBondContact O-N 2.86Å; P292-E296 VanDerWaalsContact O-N 3.09Å
293	Q	82.7	Confident	84.4	Confident	131 Å²	131	68.7 Å²	68.7	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-66.5	-39.2	177	-64.8	80.5	3.6	0	0	111.4	S291 E295 E296 V297	S291-Q293 VanDerWaalsContact C-N 3.27Å; S291-Q293 PolarHBondContact O-N 3.43Å; Q293-E295 VanDerWaalsContact C-N 3.32Å; Q293-E296 PolarHBondContact O-N 3.22Å; Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.76Å
294	Q	80.6	Confident	84.4	Confident	33 Å²	33	73.2 Å²	73.2	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-65.8	-37.6	175.3	-171.2	-177.9	56.5	0	0	111.2	S291 V297 A298 Y417	S291-Q294 WeakPolarHBondContact O-CB 3.47Å; S291-Q294 PolarHBondContact O-N 2.79Å; S291-Q294 PolarHBondContact OG-N 2.96Å; Q294-V297 PolarHBondContact O-N 3.35Å; Q294-A298 VanDerWaalsContact O-CB 3.25Å; Q294-A298 WeakPolarHBondContact O-CB 3.28Å; Q294-A298 PolarHBondContact O-N 2.69Å; Q294-Y417 HydrophobicContact CG-CD2 3.78Å; Q294-Y417 HydrophobicContact CG-CE2 3.91Å; Q294-Y417 HydrophobicContact CG-CG 4.45Å
295	E	84.9	Confident	84.7	Confident	69 Å²	69	72.2 Å²	72.2	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.1	-179.6	-179.7	169.8	0	0	112.1	F289 S291 P292 Q293 A298 K299	F289-E295 HydrophobicContact CB-CB 3.99Å; F289-E295 HydrophobicContact CD1-CB 4.34Å; F289-E295 HydrophobicContact CD2-CB 3.64Å; F289-E295 HydrophobicContact CD2-CG 3.54Å; F289-E295 HydrophobicContact CE2-CB 4.21Å; F289-E295 HydrophobicContact CE2-CG 3.71Å; F289-E295 HydrophobicContact CG-CB 3.71Å; F289-E295 HydrophobicContact CG-CG 4.14Å; F289-E295 HydrophobicContact CZ-CG 4.42Å; S291-E295 PolarHBondContact O-N 3.38Å; S291-E295 VanDerWaalsContact O-N 3.11Å; P292-E295 WeakPolarHBondContact O-CB 3.26Å; P292-E295 PolarHBondContact O-N 2.86Å; Q293-E295 VanDerWaalsContact C-N 3.32Å; E295-A298 PolarHBondContact O-N 3.06Å; E295-K299 HydrophobicContact CG-CD 4.3Å; E295-K299 WeakPolarHBondContact O-CG 3.26Å; E295-K299 PolarHBondContact O-N 2.95Å; E295-K299 WeakPolarHBondContact OE1-CE 3.35Å; E295-K299 IonicContact OE1-NZ 3.81Å; E295-K299 PolarHBondContact OE1-NZ 2.82Å
296	E	85.1	Confident	85.2	Confident	136 Å²	136	67.4 Å²	67.4	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-62.4	-44.2	178.3	-171.2	177.1	-178.8	0	0	112	P292 Q293 A298 K299 N300	P292-E296 PolarHBondContact O-N 2.86Å; P292-E296 VanDerWaalsContact O-N 3.09Å; Q293-E296 PolarHBondContact O-N 3.22Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 3.26Å; E296-K299 PolarHBondContact O-N 3.35Å; E296-N300 PolarHBondContact O-N 2.83Å
297	V	84.3	Confident	85.9	Confident	72 Å²	72	62.7 Å²	62.7	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.8	175	0	0	0	0	110.8	Q293 Q294 K299 N300 L301	Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.76Å; Q294-V297 PolarHBondContact O-N 3.35Å; V297-K299 PolarHBondContact O-N 3.17Å; V297-N300 PolarHBondContact O-N 3.28Å; V297-L301 HydrophobicContact CG1-CD1 4.24Å; V297-L301 PolarHBondContact O-N 3.08Å
298	A	84.1	Confident	86.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-39.3	179.9	0	0	0	0	0	112.7	F289 Q294 E295 E296 N300 L301 L302 Y417	F289-A298 HydrophobicContact CD1-CB 3.98Å; F289-A298 HydrophobicContact CE1-CB 3.29Å; F289-A298 HydrophobicContact CZ-CB 3.94Å; Q294-A298 VanDerWaalsContact O-CB 3.25Å; Q294-A298 WeakPolarHBondContact O-CB 3.28Å; Q294-A298 PolarHBondContact O-N 2.69Å; E295-A298 PolarHBondContact O-N 3.06Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 3.26Å; A298-N300 PolarHBondContact O-N 2.82Å; A298-L301 CarbonylContact O-C 3.5Å; A298-L301 WeakPolarHBondContact O-CA 3.05Å; A298-L301 PolarHBondContact O-N 3.3Å; A298-L302 VanDerWaalsContact O-CG 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.49Å; A298-L302 PolarHBondContact O-N 3Å; A298-Y417 HydrophobicContact CB-CD1 3.67Å; A298-Y417 HydrophobicContact CB-CE1 3.5Å
299	K	84.1	Confident	87	Confident	122 Å²	122	56.6 Å²	56.6	53%	0.53	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-38.4	176.4	-79.5	173.2	-179.9	165.4	0	112.1	E295 E296 V297 L301 L302	E295-K299 HydrophobicContact CG-CD 4.3Å; E295-K299 WeakPolarHBondContact O-CG 3.26Å; E295-K299 PolarHBondContact O-N 2.95Å; E295-K299 WeakPolarHBondContact OE1-CE 3.35Å; E295-K299 IonicContact OE1-NZ 3.81Å; E295-K299 PolarHBondContact OE1-NZ 2.82Å; E296-K299 PolarHBondContact O-N 3.35Å; V297-K299 PolarHBondContact O-N 3.17Å; K299-L301 VanDerWaalsContact C-N 3.27Å; K299-L301 PolarHBondContact O-N 3.35Å; K299-L302 PolarHBondContact O-N 3.05Å
300	N	87.5	Confident	87.1	Confident	116 Å²	116	56.8 Å²	56.8	62%	0.62	31%	0.308	S	S	*	.	H	α-helix	trans	-67.5	-28.5	176	-71.2	-28.7	0	0	0	112.8	K220 E296 V297 A298	K220-N300 WeakPolarHBondContact CE-O 3.11Å; K220-N300 PolarHBondContact NZ-O 3.31Å; E296-N300 PolarHBondContact O-N 2.83Å; V297-N300 PolarHBondContact O-N 3.28Å; A298-N300 PolarHBondContact O-N 2.82Å
301	L	91.7	Very high	87.2	Confident	26 Å²	26	56.3 Å²	56.3	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-90.8	-12.8	179.5	-59.2	171.5	0	0	0	113.3	V297 A298 K299 Y321 V322 I416 Y417	V297-L301 HydrophobicContact CG1-CD1 4.24Å; V297-L301 PolarHBondContact O-N 3.08Å; A298-L301 CarbonylContact O-C 3.5Å; A298-L301 WeakPolarHBondContact O-CA 3.05Å; A298-L301 PolarHBondContact O-N 3.3Å; K299-L301 VanDerWaalsContact C-N 3.27Å; K299-L301 PolarHBondContact O-N 3.35Å; L301-Y321 HydrophobicContact CB-CD2 3.96Å; L301-Y321 HydrophobicContact CB-CE2 3.8Å; L301-Y321 HydrophobicContact CD1-CE2 3.99Å; L301-Y321 HydrophobicContact CG-CE2 4.44Å; L301-V322 PolarHBondContact O-N 3.49Å; L301-V322 VanDerWaalsContact O-O 3.12Å; L301-I416 HydrophobicContact CD1-CG2 3.73Å; L301-I416 HydrophobicContact CD2-CG2 4.34Å; L301-Y417 HydrophobicContact CD1-CD1 4.32Å; L301-Y417 WeakPolarHBondContact CD1-O 3.38Å
302	L	91.9	Very high	87.2	Confident	20 Å²	20	62.2 Å²	62.2	11%	0.105	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.1	176.2	-67.2	167.8	0	0	0	110	K220 V283 F289 A298 K299 R319	K220-L302 WeakPolarHBondContact CE-O 3.48Å; K220-L302 PolarHBondContact NZ-O 3.21Å; V283-L302 HydrophobicContact CB-CD2 4.45Å; V283-L302 HydrophobicContact CG2-CD2 3.99Å; F289-L302 HydrophobicContact CZ-CD1 4.41Å; A298-L302 VanDerWaalsContact O-CG 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.49Å; A298-L302 PolarHBondContact O-N 3Å; K299-L302 PolarHBondContact O-N 3.05Å; L302-R319 HydrophobicContact CD2-CG 4.07Å
303	A	93.4	Very high	87.1	Confident	9 Å²	9	59.8 Å²	59.8	7%	0.074	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.4	170.8	0	0	0	0	0	108.9	V224 F305 R319 V320	V224-A303 HydrophobicContact CG2-CB 3.43Å; V224-A303 VanDerWaalsContact CG2-CB 3.43Å; A303-F305 HydrophobicContact CB-CD1 4.14Å; A303-F305 HydrophobicContact CB-CE1 4.27Å; A303-R319 WeakPolarHBondContact O-CA 3.33Å; A303-V320 PolarHBondContact N-O 3.4Å; A303-V320 PolarHBondContact O-N 3.27Å
304	E	92.8	Very high	87.2	Confident	108 Å²	108	55.3 Å²	55.3	51%	0.505	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.7	173.1	-64.8	-175.3	164.8	0	0	108.4	P253 Y318 R319	P253-E304 WeakPolarHBondContact CB-OE1 3.41Å; P253-E304 WeakPolarHBondContact CB-OE2 3.4Å; P253-E304 HydrophobicContact CG-CG 4.09Å; P253-E304 WeakPolarHBondContact CG-OE1 3.22Å; E304-Y318 WeakPolarHBondContact CA-O 3.26Å; E304-R319 HydrophobicContact CG-CB 4.23Å; E304-R319 HydrophobicContact CG-CG 3.97Å; E304-R319 IonicContact OE1-CZ 3.96Å; E304-R319 IonicContact OE1-NE 3.84Å; E304-R319 PolarHBondContact OE1-NE 3.08Å; E304-R319 IonicContact OE1-NH2 2.83Å; E304-R319 PolarHBondContact OE1-NH2 3.05Å
305	F	93.1	Very high	87.4	Confident	18 Å²	18	55.5 Å²	55.5	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.1	-176.9	58.5	-89.5	0	0	0	111.7	V224 W227 I228 A303 L307 V317 Y318 V320 Y533	V224-F305 HydrophobicContact CG1-CD1 4.08Å; V224-F305 HydrophobicContact CG1-CE1 3.55Å; V224-F305 HydrophobicContact CG1-CE2 4.45Å; V224-F305 HydrophobicContact CG1-CZ 3.77Å; V224-F305 HydrophobicContact CG2-CE1 4.21Å; W227-F305 AromaticContact CE3-CZ 3.93Å; W227-F305 HydrophobicContact CE3-CZ 3.93Å; W227-F305 HydrophobicContact CZ3-CE2 4.2Å; W227-F305 AromaticContact CZ3-CZ 3.76Å; W227-F305 HydrophobicContact CZ3-CZ 3.76Å; I228-F305 HydrophobicContact CD1-CE2 3.85Å; I228-F305 HydrophobicContact CD1-CZ 4.13Å; I228-F305 HydrophobicContact CG1-CE2 3.94Å; I228-F305 HydrophobicContact CG1-CZ 4.03Å; A303-F305 HydrophobicContact CB-CD1 4.14Å; A303-F305 HydrophobicContact CB-CE1 4.27Å; F305-L307 HydrophobicContact CD2-CD2 4.05Å; F305-L307 HydrophobicContact CD2-CG 4.01Å; F305-L307 HydrophobicContact CE2-CD1 4.17Å; F305-L307 HydrophobicContact CE2-CD2 3.91Å; F305-L307 HydrophobicContact CE2-CG 3.79Å; F305-V317 WeakPolarHBondContact O-CA 3.4Å; F305-Y318 HydrophobicContact CE2-CD2 4.37Å; F305-Y318 PolarHBondContact N-O 2.78Å; F305-Y318 VanDerWaalsContact N-O 3.14Å; F305-Y318 PolarHBondContact O-N 3.46Å; F305-V320 HydrophobicContact CE1-CB 4.11Å; F305-V320 HydrophobicContact CE1-CG2 3.65Å; F305-V320 HydrophobicContact CZ-CG2 3.76Å; F305-Y533 HydrophobicContact CB-CE2 4.08Å; F305-Y533 HydrophobicContact CD2-CE2 4.27Å; F305-Y533 HydrophobicContact CG-CE2 4.39Å
306	N	93.1	Very high	87.7	Confident	26 Å²	26	52.4 Å²	52.4	14%	0.139	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.7	172.8	-166.3	-10.7	0	0	0	109.6	G308 D310 V313 H316 V317 R536	N306-G308 PolarHBondContact OD1-N 3.46Å; N306-D310 PolarHBondContact ND2-O 2.89Å; N306-V313 PolarHBondContact ND2-O 2.92Å; N306-H316 WeakPolarHBondContact CA-O 3.28Å; N306-H316 WeakPolarHBondContact OD1-CB 3.26Å; N306-H316 PolarHBondContact OD1-O 3.45Å; N306-V317 HydrophobicContact CB-CG2 3.97Å; N306-R536 WeakPolarHBondContact O-CD 3.17Å; N306-R536 PolarHBondContact O-NE 3.41Å
307	L	93.4	Very high	88	Confident	3 Å²	3	47 Å²	47	2%	0.016	26%	0.256	C	S	.	.			trans	-83.8	-18.1	173.1	-67.4	173.7	0	0	0	113.1	L117 I228 F237 F305 H316 Y318 Y533	L117-L307 HydrophobicContact CD1-CB 4.41Å; L117-L307 HydrophobicContact CD2-CB 4.22Å; L117-L307 WeakPolarHBondContact CD2-O 3.03Å; I228-L307 HydrophobicContact CD1-CD2 3.75Å; I228-L307 HydrophobicContact CG1-CD1 4.36Å; I228-L307 HydrophobicContact CG1-CD2 4.09Å; I228-L307 HydrophobicContact CG2-CD1 4.35Å; I228-L307 HydrophobicContact CG2-CD2 4.18Å; F237-L307 HydrophobicContact CD1-CD1 4.24Å; F237-L307 HydrophobicContact CD2-CD1 4.07Å; F237-L307 HydrophobicContact CE1-CD1 3.83Å; F237-L307 HydrophobicContact CE2-CD1 3.63Å; F237-L307 HydrophobicContact CG-CD1 4.36Å; F237-L307 HydrophobicContact CZ-CD1 3.49Å; F237-L307 VanDerWaalsContact CZ-CD1 3.49Å; F305-L307 HydrophobicContact CD2-CD2 4.05Å; F305-L307 HydrophobicContact CD2-CG 4.01Å; F305-L307 HydrophobicContact CE2-CD1 4.17Å; F305-L307 HydrophobicContact CE2-CD2 3.91Å; F305-L307 HydrophobicContact CE2-CG 3.79Å; L307-H316 HydrophobicContact CB-CB 4.1Å; L307-H316 PolarHBondContact N-O 2.87Å; L307-Y318 HydrophobicContact CD1-CD2 4.14Å; L307-Y318 HydrophobicContact CD1-CE2 3.95Å; L307-Y318 HydrophobicContact CG-CD2 4.42Å; L307-Y318 HydrophobicContact CG-CE2 4.47Å; L307-Y533 HydrophobicContact CD2-CD2 3.95Å
308	G	89.9	Confident	88.4	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	24%	0.235	C	C	.	.	S	Bend	trans	-66.7	158.8	176.3	0	0	0	0	0	112.4	N306	N306-G308 PolarHBondContact OD1-N 3.46Å
309	C	86.4	Confident	88.9	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.041	24%	0.241	C	C	.	.	S	Bend	trans	-79	-26.6	177	63.1	0	0	0	0	113.1	R536 P539 L540 I543	C309-R536 WeakPolarHBondContact CA-O 3.46Å; C309-R536 VanDerWaalsContact CB-O 3.28Å; C309-R536 WeakPolarHBondContact CB-O 3.41Å; C309-P539 HydrophobicContact CB-CB 4.05Å; C309-P539 HydrophobicContact CB-CG 4.4Å; C309-L540 HydrophobicContact CB-CD2 4.06Å; C309-L540 HydrophobicContact CB-CG 4.11Å; C309-I543 WeakPolarHBondContact SG-CD1 3.33Å
310	D	84.7	Confident	89.5	Confident	61 Å²	61	39.5 Å²	39.5	33%	0.326	22%	0.216	S	C	.	.			trans	-96.5	120.8	175.4	-171.4	-12	0	0	0	111	N306 H312 V313	N306-D310 PolarHBondContact ND2-O 2.89Å; D310-H312 PolarHBondContact O-N 3.07Å; D310-H312 IonicContact OD1-CG 3.5Å; D310-H312 PolarHBondContact OD1-N 3.46Å; D310-H312 IonicContact OD1-ND1 3.38Å; D310-H312 PolarHBondContact OD1-ND1 2.7Å; D310-V313 HydrophobicContact CB-CB 4.34Å; D310-V313 HydrophobicContact CB-CG2 3.89Å; D310-V313 PolarHBondContact O-N 3.34Å
311	A	82.4	Confident	89.8	Confident	80 Å²	80	34 Å²	34	66%	0.661	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	-179.6	0	0	0	0	0	113.7
312	H	81.4	Confident	90	Very high	169 Å²	169	32.9 Å²	32.9	78%	0.782	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.9	-178.6	-50.8	93.7	0	0	0	113.3	D310	D310-H312 PolarHBondContact O-N 3.07Å; D310-H312 IonicContact OD1-CG 3.5Å; D310-H312 PolarHBondContact OD1-N 3.46Å; D310-H312 IonicContact OD1-ND1 3.38Å; D310-H312 PolarHBondContact OD1-ND1 2.7Å
313	V	82.5	Confident	90.2	Very high	44 Å²	44	32.1 Å²	32.1	27%	0.267	18%	0.177	S	C	.	.			trans	-91.7	127	179.1	177.4	0	0	0	0	109.8	N306 D310 D315	N306-V313 PolarHBondContact ND2-O 2.92Å; D310-V313 HydrophobicContact CB-CB 4.34Å; D310-V313 HydrophobicContact CB-CG2 3.89Å; D310-V313 PolarHBondContact O-N 3.34Å; V313-D315 HydrophobicContact CG1-CB 4.12Å
314	T	84.4	Confident	90.2	Very high	37 Å²	37	33.3 Å²	33.3	23%	0.227	18%	0.184	C	C	.	.			trans	-97.1	-7.8	-172.6	54.1	0	0	0	0	114.8	V252 H316 V317	V252-T314 HydrophobicContact CG1-CG2 4.08Å; T314-H316 PolarHBondContact O-N 3.26Å; T314-V317 HydrophobicContact CG2-CG2 4.43Å; T314-V317 WeakPolarHBondContact O-CB 3.14Å; T314-V317 PolarHBondContact O-N 2.67Å
315	D	84.5	Confident	90.3	Very high	37 Å²	37	28.5 Å²	28.5	20%	0.198	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-36.1	-179.1	-66.8	2.7	0	0	0	112.5	R115 R263 V313	R115-D315 IonicContact NH1-OD2 3.89Å; R115-D315 PolarHBondContact NH1-OD2 3.34Å; R263-D315 PolarHBondContact NH1-O 3.06Å; V313-D315 HydrophobicContact CG1-CB 4.12Å
316	H	90.6	Very high	90.3	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	22.2	-176.9	-70.6	-64.8	0	0	0	114.2	R115 F237 N306 L307 T314 Y318	R115-H316 PolarHBondContact O-NE2 3.19Å; F237-H316 PolarHBondContact O-CE1 3.29Å; N306-H316 WeakPolarHBondContact CA-O 3.28Å; N306-H316 WeakPolarHBondContact OD1-CB 3.26Å; N306-H316 PolarHBondContact OD1-O 3.45Å; L307-H316 HydrophobicContact CB-CB 4.1Å; L307-H316 PolarHBondContact N-O 2.87Å; T314-H316 PolarHBondContact O-N 3.26Å; H316-Y318 VanDerWaalsContact C-CE2 3.44Å; H316-Y318 HydrophobicContact CB-CE2 4.14Å; H316-Y318 WeakPolarHBondContact O-CD2 3.22Å; H316-Y318 VanDerWaalsContact O-CE2 3.25Å; H316-Y318 WeakPolarHBondContact O-CE2 3.33Å
317	V	92.4	Very high	90.3	Very high	23 Å²	23	31 Å²	31	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.3	172.8	175.4	0	0	0	0	109.8	V252 P253 R263 F305 N306 T314	V252-V317 HydrophobicContact CG1-CB 4.35Å; V252-V317 HydrophobicContact CG1-CG1 4.09Å; P253-V317 HydrophobicContact CG-CG1 4.44Å; R263-V317 PolarHBondContact NH1-O 3.49Å; R263-V317 PolarHBondContact NH2-O 3.47Å; R263-V317 VanDerWaalsContact NH2-O 3.08Å; F305-V317 WeakPolarHBondContact O-CA 3.4Å; N306-V317 HydrophobicContact CB-CG2 3.97Å; T314-V317 HydrophobicContact CG2-CG2 4.43Å; T314-V317 WeakPolarHBondContact O-CB 3.14Å; T314-V317 PolarHBondContact O-N 2.67Å
318	Y	93.2	Very high	90.4	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141	-178.3	-62	-89.4	0	0	0	110.7	W227 F237 R263 T266 E304 F305 L307 H316	W227-Y318 AromaticContact CH2-CD1 3.36Å; W227-Y318 HydrophobicContact CH2-CD1 3.36Å; W227-Y318 HydrophobicContact CH2-CD2 4.29Å; W227-Y318 AromaticContact CH2-CE1 3.85Å; W227-Y318 HydrophobicContact CH2-CE1 3.85Å; W227-Y318 AromaticContact CH2-CG 3.62Å; W227-Y318 HydrophobicContact CH2-CG 3.62Å; W227-Y318 HydrophobicContact CZ2-CD1 4.1Å; W227-Y318 HydrophobicContact CZ3-CD1 4.27Å; W227-Y318 HydrophobicContact CZ3-CD2 4.48Å; W227-Y318 HydrophobicContact CZ3-CG 4.1Å; F237-Y318 HydrophobicContact CD1-CE1 4.26Å; F237-Y318 HydrophobicContact CD1-CE2 4.11Å; F237-Y318 AromaticContact CD1-CZ 3.64Å; F237-Y318 VanDerWaalsContact CD1-OH 3.29Å; F237-Y318 WeakPolarHBondContact CD1-OH 3.18Å; F237-Y318 HydrophobicContact CE1-CE1 4.14Å; F237-Y318 HydrophobicContact CE1-CE2 4.1Å; F237-Y318 AromaticContact CE1-CZ 3.81Å; R263-Y318 VanDerWaalsContact NE-CE1 3.32Å; R263-Y318 VanDerWaalsContact NH1-CE1 3.26Å; T266-Y318 HydrophobicContact CG2-CE1 4.23Å; E304-Y318 WeakPolarHBondContact CA-O 3.26Å; F305-Y318 HydrophobicContact CE2-CD2 4.37Å; F305-Y318 PolarHBondContact N-O 2.78Å; F305-Y318 VanDerWaalsContact N-O 3.14Å; F305-Y318 PolarHBondContact O-N 3.46Å; L307-Y318 HydrophobicContact CD1-CD2 4.14Å; L307-Y318 HydrophobicContact CD1-CE2 3.95Å; L307-Y318 HydrophobicContact CG-CD2 4.42Å; L307-Y318 HydrophobicContact CG-CE2 4.47Å; H316-Y318 VanDerWaalsContact C-CE2 3.44Å; H316-Y318 HydrophobicContact CB-CE2 4.14Å; H316-Y318 WeakPolarHBondContact O-CD2 3.22Å; H316-Y318 VanDerWaalsContact O-CE2 3.25Å; H316-Y318 WeakPolarHBondContact O-CE2 3.33Å
319	R	93.8	Very high	90.7	Very high	33 Å²	33	31 Å²	31	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112	164.8	-175.1	-173.3	-64.1	132.5	-2.4	107.9	P253 E282 V283 L302 A303 E304	P253-R319 VanDerWaalsContact CA-NH2 3.28Å; P253-R319 HydrophobicContact CG-CB 4.38Å; E282-R319 WeakPolarHBondContact CA-O 3.09Å; V283-R319 HydrophobicContact CB-CG 4.48Å; V283-R319 PolarHBondContact N-O 2.95Å; L302-R319 HydrophobicContact CD2-CG 4.07Å; A303-R319 WeakPolarHBondContact O-CA 3.33Å; E304-R319 HydrophobicContact CG-CB 4.23Å; E304-R319 HydrophobicContact CG-CG 3.97Å; E304-R319 IonicContact OE1-CZ 3.96Å; E304-R319 IonicContact OE1-NE 3.84Å; E304-R319 PolarHBondContact OE1-NE 3.08Å; E304-R319 IonicContact OE1-NH2 2.83Å; E304-R319 PolarHBondContact OE1-NH2 3.05Å
320	V	95.6	Very high	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.4	-176.7	-175.6	0	0	0	0	108.6	W227 A280 Y281 A303 F305 V322	W227-V320 HydrophobicContact CB-CG1 4.37Å; W227-V320 HydrophobicContact CD2-CG1 4.09Å; W227-V320 HydrophobicContact CD2-CG2 3.81Å; W227-V320 HydrophobicContact CE3-CG2 3.8Å; W227-V320 HydrophobicContact CG-CG1 3.93Å; W227-V320 HydrophobicContact CH2-CG2 4.03Å; W227-V320 HydrophobicContact CZ2-CG2 3.98Å; W227-V320 HydrophobicContact CZ3-CG2 3.93Å; A280-V320 HydrophobicContact CB-CG1 4.28Å; Y281-V320 CarbonylContact O-C 3.6Å; Y281-V320 WeakPolarHBondContact O-CA 3.49Å; A303-V320 PolarHBondContact N-O 3.4Å; A303-V320 PolarHBondContact O-N 3.27Å; F305-V320 HydrophobicContact CE1-CB 4.11Å; F305-V320 HydrophobicContact CE1-CG2 3.65Å; F305-V320 HydrophobicContact CZ-CG2 3.76Å; V320-V322 HydrophobicContact CB-CG2 4.36Å; V320-V322 HydrophobicContact CG1-CG2 3.69Å
321	Y	95.7	Very high	91.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.8	165.1	167.6	-98	0	0	0	108.4	I279 A280 Y281 L301 S323 Y417 Q418 P419	I279-Y321 HydrophobicContact CG2-CE1 3.9Å; A280-Y321 CarbonylContact C-O 3.6Å; A280-Y321 WeakPolarHBondContact CA-O 3.43Å; Y281-Y321 AromaticContact CD1-CD1 3.91Å; Y281-Y321 HydrophobicContact CD1-CD1 3.91Å; Y281-Y321 AromaticContact CE1-CD1 3.25Å; Y281-Y321 HydrophobicContact CE1-CD1 3.25Å; Y281-Y321 AromaticContact CE1-CE1 3.7Å; Y281-Y321 HydrophobicContact CE1-CE1 3.7Å; Y281-Y321 HydrophobicContact CE1-CG 4.23Å; Y281-Y321 HydrophobicContact CE2-CD1 4.27Å; Y281-Y321 AromaticContact CZ-CD1 3.44Å; Y281-Y321 VanDerWaalsContact CZ-CD1 3.44Å; Y281-Y321 PolarHBondContact N-O 3.45Å; Y281-Y321 PolarHBondContact O-N 3.27Å; L301-Y321 HydrophobicContact CB-CD2 3.96Å; L301-Y321 HydrophobicContact CB-CE2 3.8Å; L301-Y321 HydrophobicContact CD1-CE2 3.99Å; L301-Y321 HydrophobicContact CG-CE2 4.44Å; Y321-S323 VanDerWaalsContact OH-CB 3.31Å; Y321-S323 WeakPolarHBondContact OH-CB 3.39Å; Y321-Y417 WeakPolarHBondContact CE2-O 3.17Å; Y321-Y417 PolarHBondContact OH-O 2.83Å; Y321-Q418 HydrophobicContact CE1-CG 4.18Å; Y321-P419 HydrophobicContact CD2-CG 3.6Å; Y321-P419 HydrophobicContact CE2-CG 4.16Å; Y321-P419 HydrophobicContact CG-CG 3.85Å
322	V	95.7	Very high	92.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.3	175.3	-174.1	0	0	0	0	109.4	K220 V224 I279 A280 L301 V320	K220-V322 HydrophobicContact CG-CB 4.3Å; V224-V322 HydrophobicContact CG2-CG2 3.66Å; I279-V322 WeakPolarHBondContact O-CA 3.41Å; A280-V322 HydrophobicContact CB-CG1 4.38Å; A280-V322 HydrophobicContact CB-CG2 3.87Å; L301-V322 PolarHBondContact O-N 3.49Å; L301-V322 VanDerWaalsContact O-O 3.12Å; V320-V322 HydrophobicContact CB-CG2 4.36Å; V320-V322 HydrophobicContact CG1-CG2 3.69Å
323	S	94.8	Very high	93	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.3	170.3	-171.6	0	0	0	0	110.6	Q278 I279 Y321 F325	Q278-S323 WeakPolarHBondContact CA-O 3.46Å; I279-S323 PolarHBondContact N-O 2.89Å; I279-S323 PolarHBondContact O-N 2.64Å; Y321-S323 VanDerWaalsContact OH-CB 3.31Å; Y321-S323 WeakPolarHBondContact OH-CB 3.39Å; S323-F325 WeakPolarHBondContact OG-CE2 3.37Å; S323-F325 WeakPolarHBondContact OG-CZ 3.43Å
324	T	93.5	Very high	93.7	Very high	35 Å²	35	17.5 Å²	17.5	22%	0.215	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131	177.8	-58.1	0	0	0	0	110.1	G219 T277 Q278	G219-T324 WeakPolarHBondContact CA-OG1 3.45Å; G219-T324 PolarHBondContact O-OG1 2.85Å; T277-T324 WeakPolarHBondContact O-CA 3.3Å; Q278-T324 HydrophobicContact CG-CG2 3.87Å
325	F	95	Very high	94.2	Very high	6 Å²	6	21 Å²	21	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	92	-175.3	-55.3	-83.4	0	0	0	109	S276 T277 I279 S323 F328 S412 L413 I416 F504	S276-F325 VanDerWaalsContact CA-O 3.26Å; S276-F325 WeakPolarHBondContact CA-O 3.48Å; S276-F325 WeakPolarHBondContact CB-O 3.36Å; T277-F325 PolarHBondContact N-O 3.21Å; T277-F325 VanDerWaalsContact N-O 3.14Å; T277-F325 WeakPolarHBondContact O-CD2 3.22Å; T277-F325 PolarHBondContact O-N 2.98Å; I279-F325 HydrophobicContact CG2-CE2 3.94Å; S323-F325 WeakPolarHBondContact OG-CE2 3.37Å; S323-F325 WeakPolarHBondContact OG-CZ 3.43Å; F325-F328 HydrophobicContact CB-CB 3.71Å; F325-F328 HydrophobicContact CB-CD2 3.63Å; F325-F328 HydrophobicContact CB-CE2 4.43Å; F325-F328 HydrophobicContact CB-CG 3.72Å; F325-F328 WeakPolarHBondContact O-CB 3.4Å; F325-F328 PolarHBondContact O-N 3.02Å; F325-S412 WeakPolarHBondContact CZ-OG 3.35Å; F325-L413 HydrophobicContact CB-CD1 4.25Å; F325-L413 HydrophobicContact CD1-CB 3.58Å; F325-L413 HydrophobicContact CD1-CD1 4.15Å; F325-L413 HydrophobicContact CD1-CG 4.43Å; F325-L413 HydrophobicContact CD2-CD1 3.92Å; F325-L413 HydrophobicContact CE1-CB 3.6Å; F325-L413 HydrophobicContact CE1-CD1 4.48Å; F325-L413 HydrophobicContact CE1-CG 4.43Å; F325-L413 WeakPolarHBondContact CE1-O 3.31Å; F325-L413 HydrophobicContact CE2-CD1 4.29Å; F325-L413 HydrophobicContact CG-CB 4.15Å; F325-L413 HydrophobicContact CG-CD1 3.83Å; F325-L413 HydrophobicContact CZ-CB 4.19Å; F325-I416 HydrophobicContact CD1-CG1 4.43Å; F325-I416 HydrophobicContact CE1-CB 3.82Å; F325-I416 HydrophobicContact CE1-CG1 3.82Å; F325-I416 HydrophobicContact CE1-CG2 4.31Å; F325-I416 HydrophobicContact CZ-CB 4.4Å; F325-F504 HydrophobicContact CD2-CE1 4.08Å; F325-F504 HydrophobicContact CD2-CZ 4.04Å; F325-F504 AromaticContact CE2-CE1 3.4Å; F325-F504 HydrophobicContact CE2-CE1 3.4Å; F325-F504 VanDerWaalsContact CE2-CE1 3.4Å; F325-F504 AromaticContact CE2-CZ 3.77Å; F325-F504 HydrophobicContact CE2-CZ 3.77Å; F325-F504 AromaticContact CZ-CE1 3.91Å; F325-F504 HydrophobicContact CZ-CE1 3.91Å
326	L	92.9	Very high	94.8	Very high	80 Å²	80	22 Å²	22	42%	0.419	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.1	173.2	-81.6	168.4	0	0	0	110.2	A180 I184 V275 F328	A180-L326 HydrophobicContact CB-CD2 4.08Å; I184-L326 HydrophobicContact CG2-CD2 4.3Å; V275-L326 HydrophobicContact CG1-CD2 4.25Å; L326-F328 VanDerWaalsContact C-N 3.32Å; L326-F328 VanDerWaalsContact O-CD2 3.31Å; L326-F328 WeakPolarHBondContact O-CD2 3.17Å
327	G	93.6	Very high	95.1	Very high	17 Å²	17	22 Å²	22	18%	0.175	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	4.6	-175.1	0	0	0	0	0	114.4	V275 R336	V275-G327 WeakPolarHBondContact O-CA 3.42Å; V275-G327 PolarHBondContact O-N 3.04Å; G327-R336 WeakPolarHBondContact O-CD 3.47Å; G327-R336 PolarHBondContact O-NH1 3.16Å
328	F	96.3	Very high	95.3	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.039	11%	0.114	C	C	.	.			trans	-112.2	5.2	178.2	-66.7	-106	0	0	0	113.1	V275 T277 F325 L326 F402 N404 L413 S414 W495	V275-F328 PolarHBondContact O-N 3.04Å; T277-F328 PolarHBondContact OG1-O 2.99Å; F325-F328 HydrophobicContact CB-CB 3.71Å; F325-F328 HydrophobicContact CB-CD2 3.63Å; F325-F328 HydrophobicContact CB-CE2 4.43Å; F325-F328 HydrophobicContact CB-CG 3.72Å; F325-F328 WeakPolarHBondContact O-CB 3.4Å; F325-F328 PolarHBondContact O-N 3.02Å; L326-F328 VanDerWaalsContact C-N 3.32Å; L326-F328 VanDerWaalsContact O-CD2 3.31Å; L326-F328 WeakPolarHBondContact O-CD2 3.17Å; F328-F402 WeakPolarHBondContact CE1-O 3.05Å; F328-N404 HydrophobicContact CZ-CB 4.5Å; F328-L413 HydrophobicContact CB-CD1 4.5Å; F328-L413 HydrophobicContact CD1-CB 4.24Å; F328-L413 HydrophobicContact CD1-CD1 3.82Å; F328-L413 HydrophobicContact CD1-CD2 4.29Å; F328-L413 HydrophobicContact CD1-CG 4.36Å; F328-L413 HydrophobicContact CE1-CB 4.01Å; F328-L413 HydrophobicContact CE1-CD1 4.42Å; F328-L413 HydrophobicContact CE1-CD2 4.32Å; F328-L413 HydrophobicContact CE1-CG 4.49Å; F328-L413 HydrophobicContact CG-CD1 4.32Å; F328-S414 WeakPolarHBondContact CE2-OG 3.47Å; F328-S414 WeakPolarHBondContact CZ-OG 3.23Å; F328-W495 HydrophobicContact CB-CZ2 4.03Å; F328-W495 AromaticContact CD1-CH2 3.85Å; F328-W495 HydrophobicContact CD1-CH2 3.85Å; F328-W495 AromaticContact CD1-CZ2 3.65Å; F328-W495 HydrophobicContact CD1-CZ2 3.65Å; F328-W495 HydrophobicContact CE1-CH2 4.32Å; F328-W495 HydrophobicContact CG-CZ2 4.2Å; F328-W495 PolarHBondContact O-NE1 3.35Å
329	G	95.6	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-68.2	161.2	165.9	0	0	0	0	0	111.2	G273 G274 V275 S276 N331 A332 A333	G273-G329 CarbonylContact O-C 3.32Å; G273-G329 WeakPolarHBondContact O-CA 3.33Å; G274-G329 CarbonylContact O-C 3.59Å; G274-G329 VanDerWaalsContact O-C 3.31Å; V275-G329 PolarHBondContact O-N 3.43Å; V275-G329 VanDerWaalsContact O-N 3.09Å; S276-G329 WeakPolarHBondContact O-CA 3.4Å; G329-N331 VanDerWaalsContact C-N 3.34Å; G329-N331 PolarHBondContact O-N 2.97Å; G329-A332 PolarHBondContact O-N 3.15Å; G329-A333 VanDerWaalsContact O-CB 3.26Å; G329-A333 WeakPolarHBondContact O-CB 3.24Å; G329-A333 PolarHBondContact O-N 2.91Å
330	G	95.4	Very high	95.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-39.4	-171.2	0	0	0	0	0	114.2	G273 R334	G273-G330 PolarHBondContact O-N 3.29Å; G330-R334 PolarHBondContact O-N 3.04Å
331	N	93.9	Very high	95.5	Very high	55 Å²	55	27.7 Å²	27.7	29%	0.294	14%	0.142	S	C	.	.	H	α-helix	trans	-77.3	-44.1	179.8	-61.3	-15	0	0	0	111.3	G274 G329 A333 R334 Q335 H484 K492	G274-N331 WeakPolarHBondContact O-CA 3.35Å; G274-N331 WeakPolarHBondContact O-CB 3.37Å; G274-N331 PolarHBondContact O-N 3.03Å; G329-N331 VanDerWaalsContact C-N 3.34Å; G329-N331 PolarHBondContact O-N 2.97Å; N331-A333 VanDerWaalsContact C-N 3.31Å; N331-A333 PolarHBondContact O-N 3.34Å; N331-R334 WeakPolarHBondContact O-CB 3.34Å; N331-R334 PolarHBondContact O-N 2.58Å; N331-R334 VanDerWaalsContact O-N 3.15Å; N331-Q335 PolarHBondContact O-N 2.78Å; N331-H484 PolarHBondContact OD1-CE1 3.3Å; N331-K492 WeakPolarHBondContact OD1-CE 3.46Å; N331-K492 PolarHBondContact OD1-NZ 3.14Å
332	A	95.4	Very high	95.4	Very high	11 Å²	11	28.8 Å²	28.8	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-35.8	178.9	0	0	0	0	0	112.3	G274 G329 Q335 R336	G274-A332 PolarHBondContact O-N 2.89Å; G329-A332 PolarHBondContact O-N 3.15Å; A332-Q335 PolarHBondContact O-N 2.89Å; A332-R336 WeakPolarHBondContact O-CG 3.29Å; A332-R336 PolarHBondContact O-N 2.9Å
333	A	97.6	Very high	95.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-41.9	172.2	0	0	0	0	0	111.6	G329 N331 R336 Y337 F491 W495	G329-A333 VanDerWaalsContact O-CB 3.26Å; G329-A333 WeakPolarHBondContact O-CB 3.24Å; G329-A333 PolarHBondContact O-N 2.91Å; N331-A333 VanDerWaalsContact C-N 3.31Å; N331-A333 PolarHBondContact O-N 3.34Å; A333-R336 PolarHBondContact O-N 3.31Å; A333-Y337 WeakPolarHBondContact O-CB 3.36Å; A333-Y337 PolarHBondContact O-N 3.29Å; A333-F491 VanDerWaalsContact C-CZ 3.43Å; A333-F491 HydrophobicContact CB-CE1 3.99Å; A333-F491 HydrophobicContact CB-CZ 4.08Å; A333-F491 WeakPolarHBondContact O-CZ 3.27Å; A333-W495 HydrophobicContact CB-CD2 3.69Å; A333-W495 HydrophobicContact CB-CE3 4.27Å; A333-W495 HydrophobicContact CB-CG 4.08Å; A333-W495 HydrophobicContact CB-CH2 4.25Å; A333-W495 HydrophobicContact CB-CZ2 3.67Å
334	R	97.6	Very high	95.1	Very high	9 Å²	9	38.9 Å²	38.9	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.4	179.6	60.9	-172.5	-175	4.8	111.5	G330 N331 R336 Y337 E338 D366 Y488 F491	G330-R334 PolarHBondContact O-N 3.04Å; N331-R334 WeakPolarHBondContact O-CB 3.34Å; N331-R334 PolarHBondContact O-N 2.58Å; N331-R334 VanDerWaalsContact O-N 3.15Å; R334-R336 PolarHBondContact O-N 2.81Å; R334-Y337 VanDerWaalsContact NH1-CE1 3.3Å; R334-Y337 WeakPolarHBondContact O-CB 3.37Å; R334-Y337 PolarHBondContact O-N 2.88Å; R334-E338 HydrophobicContact CG-CG 4.41Å; R334-E338 IonicContact CZ-OE1 3.55Å; R334-E338 IonicContact NE-OE1 2.92Å; R334-E338 PolarHBondContact NE-OE1 2.84Å; R334-E338 IonicContact NH2-OE1 2.65Å; R334-E338 PolarHBondContact NH2-OE1 2.75Å; R334-E338 VanDerWaalsContact NH2-OE1 3.13Å; R334-E338 WeakPolarHBondContact O-CG 3.2Å; R334-E338 PolarHBondContact O-N 2.92Å; R334-D366 IonicContact CZ-OD2 3.61Å; R334-D366 IonicContact NH1-OD1 3.32Å; R334-D366 IonicContact NH1-OD2 2.98Å; R334-D366 PolarHBondContact NH1-OD2 3.34Å; R334-D366 IonicContact NH2-OD2 3.3Å; R334-D366 PolarHBondContact NH2-OD2 2.84Å; R334-Y488 HydrophobicContact CG-CD1 3.95Å; R334-Y488 HydrophobicContact CG-CE1 3.9Å; R334-F491 VanDerWaalsContact CA-CE1 3.45Å; R334-F491 HydrophobicContact CB-CD1 3.78Å; R334-F491 HydrophobicContact CB-CE1 3.62Å; R334-F491 HydrophobicContact CB-CE2 4.45Å; R334-F491 HydrophobicContact CB-CG 4.34Å; R334-F491 HydrophobicContact CB-CZ 4Å; R334-F491 HydrophobicContact CG-CD1 4.37Å; R334-F491 HydrophobicContact CG-CG 4.47Å; R334-F491 VanDerWaalsContact N-CE1 3.29Å; R334-F491 VanDerWaalsContact N-CZ 3.34Å
335	Q	95.8	Very high	95	Very high	112 Å²	112	37.6 Å²	37.6	52%	0.523	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-48.1	177.1	-176.9	179.1	0.2	0	0	111.6	N331 A332 Y337 E338 E339	N331-Q335 PolarHBondContact O-N 2.78Å; A332-Q335 PolarHBondContact O-N 2.89Å; Q335-Y337 VanDerWaalsContact C-N 3.26Å; Q335-Y337 PolarHBondContact O-N 3.35Å; Q335-E338 PolarHBondContact O-N 2.99Å; Q335-E339 PolarHBondContact NE2-OE1 2.76Å; Q335-E339 WeakPolarHBondContact O-CG 3.06Å; Q335-E339 PolarHBondContact O-N 2.95Å
336	R	96.4	Very high	94.8	Very high	58 Å²	58	39.6 Å²	39.6	22%	0.219	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-38.6	176	-74.4	169.7	58.6	-143.9	-4.8	112.5	G327 A332 A333 R334 N340 F402	G327-R336 WeakPolarHBondContact O-CD 3.47Å; G327-R336 PolarHBondContact O-NH1 3.16Å; A332-R336 WeakPolarHBondContact O-CG 3.29Å; A332-R336 PolarHBondContact O-N 2.9Å; A333-R336 PolarHBondContact O-N 3.31Å; R334-R336 PolarHBondContact O-N 2.81Å; R336-N340 WeakPolarHBondContact O-CB 3.01Å; R336-N340 PolarHBondContact O-N 3.14Å; R336-N340 VanDerWaalsContact O-N 3.11Å; R336-F402 HydrophobicContact CB-CD1 4.31Å; R336-F402 HydrophobicContact CB-CE1 4.42Å; R336-F402 PolarHBondContact NH1-O 3.36Å; R336-F402 PolarHBondContact NH2-O 2.93Å
337	Y	97.7	Very high	94.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-49.3	175.9	171.3	-102.9	0	0	0	111.8	A333 R334 Q335 E339 N340 L341 D366 C368 I398 L399 F402 F491	A333-Y337 WeakPolarHBondContact O-CB 3.36Å; A333-Y337 PolarHBondContact O-N 3.29Å; R334-Y337 VanDerWaalsContact NH1-CE1 3.3Å; R334-Y337 WeakPolarHBondContact O-CB 3.37Å; R334-Y337 PolarHBondContact O-N 2.88Å; Q335-Y337 VanDerWaalsContact C-N 3.26Å; Q335-Y337 PolarHBondContact O-N 3.35Å; Y337-E339 PolarHBondContact O-N 2.99Å; Y337-N340 WeakPolarHBondContact O-CB 3.49Å; Y337-N340 PolarHBondContact O-N 3.09Å; Y337-N340 VanDerWaalsContact O-N 3.08Å; Y337-L341 HydrophobicContact CD1-CD1 4.13Å; Y337-L341 HydrophobicContact CD1-CG 4.41Å; Y337-L341 HydrophobicContact CE1-CD1 3.45Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.45Å; Y337-L341 HydrophobicContact CE1-CD2 4.45Å; Y337-L341 HydrophobicContact CE1-CG 3.97Å; Y337-L341 HydrophobicContact CE2-CD2 4.07Å; Y337-L341 HydrophobicContact CE2-CG 4.23Å; Y337-L341 PolarHBondContact O-N 3.42Å; Y337-D366 PolarHBondContact OH-OD1 3.49Å; Y337-C368 HydrophobicContact CE1-CB 4.48Å; Y337-I398 HydrophobicContact CE2-CG2 3.74Å; Y337-L399 HydrophobicContact CD2-CD2 3.99Å; Y337-L399 HydrophobicContact CE2-CD2 4.49Å; Y337-L399 HydrophobicContact CG-CD2 4.37Å; Y337-F402 AromaticContact CD2-CE2 3.93Å; Y337-F402 HydrophobicContact CD2-CE2 3.93Å; Y337-F402 AromaticContact CD2-CZ 3.89Å; Y337-F402 HydrophobicContact CD2-CZ 3.89Å; Y337-F491 HydrophobicContact CD1-CD2 4.08Å; Y337-F491 AromaticContact CD1-CE2 3.76Å; Y337-F491 HydrophobicContact CD1-CE2 3.76Å; Y337-F491 HydrophobicContact CD2-CE2 4.37Å; Y337-F491 HydrophobicContact CG-CD2 4.38Å; Y337-F491 AromaticContact CG-CE2 3.64Å; Y337-F491 HydrophobicContact CG-CE2 3.64Å
338	E	96.8	Very high	94.4	Very high	32 Å²	32	44 Å²	44	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-43.1	177.3	-72.5	179.2	176	0	0	112	R334 Q335 N340 L341 I342 I377	R334-E338 HydrophobicContact CG-CG 4.41Å; R334-E338 IonicContact CZ-OE1 3.55Å; R334-E338 IonicContact NE-OE1 2.92Å; R334-E338 PolarHBondContact NE-OE1 2.84Å; R334-E338 IonicContact NH2-OE1 2.65Å; R334-E338 PolarHBondContact NH2-OE1 2.75Å; R334-E338 VanDerWaalsContact NH2-OE1 3.13Å; R334-E338 WeakPolarHBondContact O-CG 3.2Å; R334-E338 PolarHBondContact O-N 2.92Å; Q335-E338 PolarHBondContact O-N 2.99Å; E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.1Å; E338-L341 WeakPolarHBondContact O-CB 3.36Å; E338-L341 PolarHBondContact O-N 2.66Å; E338-L341 VanDerWaalsContact O-N 3.16Å; E338-I342 WeakPolarHBondContact O-CG1 3.16Å; E338-I342 PolarHBondContact O-N 3.04Å; E338-I377 HydrophobicContact CB-CD1 3.7Å; E338-I377 HydrophobicContact CG-CD1 3.92Å; E338-I377 HydrophobicContact CG-CG2 4.17Å
339	E	95.2	Very high	94.1	Very high	78 Å²	78	44.1 Å²	44.1	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-36.2	174.1	-72.2	174.3	-168.8	0	0	112.6	Q335 Y337 R343	Q335-E339 PolarHBondContact NE2-OE1 2.76Å; Q335-E339 WeakPolarHBondContact O-CG 3.06Å; Q335-E339 PolarHBondContact O-N 2.95Å; Y337-E339 PolarHBondContact O-N 2.99Å; E339-R343 WeakPolarHBondContact O-CG 3.09Å; E339-R343 PolarHBondContact O-N 3.06Å; E339-R343 VanDerWaalsContact O-N 3.08Å; E339-R343 IonicContact OE2-NH1 3.51Å
340	N	95.5	Very high	93.8	Very high	47 Å²	47	53.1 Å²	53.1	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-68.9	-40.6	174.6	-175.6	-93.6	0	0	0	111.7	R336 Y337 E338 R343 N344 F402	R336-N340 WeakPolarHBondContact O-CB 3.01Å; R336-N340 PolarHBondContact O-N 3.14Å; R336-N340 VanDerWaalsContact O-N 3.11Å; Y337-N340 WeakPolarHBondContact O-CB 3.49Å; Y337-N340 PolarHBondContact O-N 3.09Å; Y337-N340 VanDerWaalsContact O-N 3.08Å; E338-N340 VanDerWaalsContact C-N 3.27Å; E338-N340 PolarHBondContact O-N 3.1Å; N340-R343 PolarHBondContact O-N 3Å; N340-N344 WeakPolarHBondContact O-CB 3.17Å; N340-N344 PolarHBondContact O-N 2.8Å; N340-N344 PolarHBondContact O-ND2 2.69Å; N340-N344 PolarHBondContact OD1-ND2 2.97Å; N340-F402 HydrophobicContact CB-CE1 3.96Å; N340-F402 HydrophobicContact CB-CZ 3.67Å
341	L	95.3	Very high	93.6	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-48.5	173.7	-67.6	-175.4	0	0	0	111.3	Y337 E338 R343 N344 A345 L364 I377 L384 L386	Y337-L341 HydrophobicContact CD1-CD1 4.13Å; Y337-L341 HydrophobicContact CD1-CG 4.41Å; Y337-L341 HydrophobicContact CE1-CD1 3.45Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.45Å; Y337-L341 HydrophobicContact CE1-CD2 4.45Å; Y337-L341 HydrophobicContact CE1-CG 3.97Å; Y337-L341 HydrophobicContact CE2-CD2 4.07Å; Y337-L341 HydrophobicContact CE2-CG 4.23Å; Y337-L341 PolarHBondContact O-N 3.42Å; E338-L341 WeakPolarHBondContact O-CB 3.36Å; E338-L341 PolarHBondContact O-N 2.66Å; E338-L341 VanDerWaalsContact O-N 3.16Å; L341-R343 PolarHBondContact O-N 3.29Å; L341-N344 PolarHBondContact O-N 3.33Å; L341-A345 VanDerWaalsContact O-CB 3.26Å; L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 3.39Å; L341-L364 HydrophobicContact CB-CD2 4.29Å; L341-L364 HydrophobicContact CD1-CD2 4.47Å; L341-L364 HydrophobicContact CD2-CD2 4.17Å; L341-I377 HydrophobicContact CB-CD1 4.34Å; L341-I377 HydrophobicContact CD1-CD1 4.42Å; L341-L384 HydrophobicContact CB-CD2 4.24Å; L341-L386 HydrophobicContact CD1-CD1 4.46Å; L341-L386 HydrophobicContact CD1-CD2 4.39Å
342	I	93.7	Very high	93.4	Very high	24 Å²	24	62.5 Å²	62.5	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-49.5	179	-66.6	162.6	0	0	0	110.6	E338 N344 A346 I377 L384	E338-I342 WeakPolarHBondContact O-CG1 3.16Å; E338-I342 PolarHBondContact O-N 3.04Å; I342-N344 PolarHBondContact O-N 2.96Å; I342-A346 VanDerWaalsContact O-CB 3.28Å; I342-A346 WeakPolarHBondContact O-CB 3.2Å; I342-A346 PolarHBondContact O-N 3.46Å; I342-I377 HydrophobicContact CD1-CD1 4.07Å; I342-I377 HydrophobicContact CD1-CG1 4.22Å; I342-I377 HydrophobicContact CG1-CD1 3.84Å; I342-I377 HydrophobicContact CG1-CG1 4.14Å; I342-L384 HydrophobicContact CG1-CD2 4.42Å
343	R	92.6	Very high	92.9	Very high	138 Å²	138	64.1 Å²	64.1	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-43.8	179.1	-74.3	-170.6	-61	-94.1	-0.7	112.4	E339 N340 L341 A347	E339-R343 WeakPolarHBondContact O-CG 3.09Å; E339-R343 PolarHBondContact O-N 3.06Å; E339-R343 VanDerWaalsContact O-N 3.08Å; E339-R343 IonicContact OE2-NH1 3.51Å; N340-R343 PolarHBondContact O-N 3Å; L341-R343 PolarHBondContact O-N 3.29Å; R343-A347 WeakPolarHBondContact O-CB 3.37Å; R343-A347 PolarHBondContact O-N 2.81Å
344	N	92.1	Very high	92.1	Very high	79 Å²	79	68.7 Å²	68.7	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-70.8	-42	-178.3	-70.1	-16.3	0	0	0	112.2	N340 L341 I342 A347 R348	N340-N344 WeakPolarHBondContact O-CB 3.17Å; N340-N344 PolarHBondContact O-N 2.8Å; N340-N344 PolarHBondContact O-ND2 2.69Å; N340-N344 PolarHBondContact OD1-ND2 2.97Å; L341-N344 PolarHBondContact O-N 3.33Å; I342-N344 PolarHBondContact O-N 2.96Å; N344-A347 PolarHBondContact O-N 2.88Å; N344-R348 WeakPolarHBondContact O-CG 3.39Å; N344-R348 PolarHBondContact O-N 2.86Å
345	A	91.6	Very high	91.6	Very high	9 Å²	9	73.3 Å²	73.3	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-47.4	176.2	0	0	0	0	0	110.6	L341 A347 R348 N349 L384	L341-A345 VanDerWaalsContact O-CB 3.26Å; L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 3.39Å; A345-A347 VanDerWaalsContact C-N 3.31Å; A345-A347 PolarHBondContact O-N 3.3Å; A345-R348 PolarHBondContact O-N 3.11Å; A345-N349 WeakPolarHBondContact O-CB 3.35Å; A345-N349 VanDerWaalsContact O-CG 3.28Å; A345-N349 PolarHBondContact O-N 3.07Å; A345-L384 HydrophobicContact CB-CD1 3.67Å; A345-L384 HydrophobicContact CB-CD2 4.13Å
346	A	89.8	Confident	91.3	Very high	47 Å²	47	70 Å²	70	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-41.5	175.9	0	0	0	0	0	112.4	I342 K350	I342-A346 VanDerWaalsContact O-CB 3.28Å; I342-A346 WeakPolarHBondContact O-CB 3.2Å; I342-A346 PolarHBondContact O-N 3.46Å; A346-K350 VanDerWaalsContact O-CB 3.29Å; A346-K350 WeakPolarHBondContact O-CB 3.45Å; A346-K350 PolarHBondContact O-N 3.18Å; A346-K350 VanDerWaalsContact O-N 3.15Å
347	A	90.4	Very high	91	Very high	45 Å²	45	67.3 Å²	67.3	37%	0.372	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-45.8	176.3	0	0	0	0	0	112.1	R343 N344 A345 K350 L351	R343-A347 WeakPolarHBondContact O-CB 3.37Å; R343-A347 PolarHBondContact O-N 2.81Å; N344-A347 PolarHBondContact O-N 2.88Å; A345-A347 VanDerWaalsContact C-N 3.31Å; A345-A347 PolarHBondContact O-N 3.3Å; A347-K350 PolarHBondContact O-N 3.34Å; A347-L351 VanDerWaalsContact O-CB 3.28Å; A347-L351 WeakPolarHBondContact O-CB 3.47Å; A347-L351 WeakPolarHBondContact O-CD1 3.41Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 3.23Å
348	R	88.9	Confident	90.7	Very high	144 Å²	144	71.5 Å²	71.5	54%	0.543	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-46.5	178.9	-73.7	179.2	106.3	115.2	2.7	112.1	N344 A345 K350 L351 L352 E354	N344-R348 WeakPolarHBondContact O-CG 3.39Å; N344-R348 PolarHBondContact O-N 2.86Å; A345-R348 PolarHBondContact O-N 3.11Å; R348-K350 VanDerWaalsContact C-N 3.26Å; R348-K350 PolarHBondContact O-N 3.31Å; R348-L351 PolarHBondContact O-N 2.95Å; R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 PolarHBondContact O-N 2.78Å; R348-E354 IonicContact NE-OE2 3.45Å
349	N	89.8	Confident	90.4	Very high	13 Å²	13	73 Å²	73	7%	0.07	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-40.1	179.6	-67.3	-6.4	0	0	0	110.8	A345 G353 H355 V356 E358	A345-N349 WeakPolarHBondContact O-CB 3.35Å; A345-N349 VanDerWaalsContact O-CG 3.28Å; A345-N349 PolarHBondContact O-N 3.07Å; N349-G353 WeakPolarHBondContact O-CA 3.19Å; N349-G353 PolarHBondContact O-N 3.22Å; N349-G353 VanDerWaalsContact O-N 3.09Å; N349-H355 PolarHBondContact OD1-N 2.81Å; N349-V356 PolarHBondContact ND2-O 3.11Å; N349-V356 PolarHBondContact OD1-N 3.06Å; N349-E358 WeakPolarHBondContact ND2-CG 3.31Å; N349-E358 PolarHBondContact ND2-OE1 2.84Å
350	K	89.1	Confident	90.2	Very high	188 Å²	188	71.8 Å²	71.8	82%	0.817	38%	0.378	S	S	*	.	H	α-helix	trans	-68.4	-38.2	176.1	-172	176.8	-179.6	-179.5	0	113.7	A346 A347 R348	A346-K350 VanDerWaalsContact O-CB 3.29Å; A346-K350 WeakPolarHBondContact O-CB 3.45Å; A346-K350 PolarHBondContact O-N 3.18Å; A346-K350 VanDerWaalsContact O-N 3.15Å; A347-K350 PolarHBondContact O-N 3.34Å; R348-K350 VanDerWaalsContact C-N 3.26Å; R348-K350 PolarHBondContact O-N 3.31Å
351	L	90.7	Very high	90	Very high	143 Å²	143	77.2 Å²	77.2	75%	0.749	40%	0.402	S	S	*	.	H	α-helix	trans	-88.4	-35.9	-173.1	-70.4	169.8	0	0	0	113.6	A347 R348	A347-L351 VanDerWaalsContact O-CB 3.28Å; A347-L351 WeakPolarHBondContact O-CB 3.47Å; A347-L351 WeakPolarHBondContact O-CD1 3.41Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 3.23Å; R348-L351 PolarHBondContact O-N 2.95Å
352	L	89.3	Confident	89.9	Confident	109 Å²	109	78.6 Å²	78.6	57%	0.571	41%	0.414	S	S	*	.	H	α-helix	trans	-112.9	-12	-171.1	-59.4	175.2	0	0	0	113.2	R348 E354	R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 PolarHBondContact O-N 2.78Å; L352-E354 VanDerWaalsContact C-N 3.26Å; L352-E354 HydrophobicContact CB-CG 3.82Å; L352-E354 PolarHBondContact O-N 3.02Å
353	G	85.3	Confident	90	Very high	46 Å²	46	78.6 Å²	78.6	47%	0.474	42%	0.415	S	S	.	.			trans	67.7	22.7	-178.7	0	0	0	0	0	114.3	N349 H355	N349-G353 WeakPolarHBondContact O-CA 3.19Å; N349-G353 PolarHBondContact O-N 3.22Å; N349-G353 VanDerWaalsContact O-N 3.09Å; G353-H355 PolarHBondContact O-CD2 3.3Å; G353-H355 VanDerWaalsContact O-CD2 3.26Å
354	E	81.8	Confident	90.2	Very high	97 Å²	97	74 Å²	74	45%	0.453	40%	0.401	S	S	.	.			trans	-74.8	-24.1	-175.7	-67.9	177.4	167.9	0	0	113.4	R348 L352 V356	R348-E354 IonicContact NE-OE2 3.45Å; L352-E354 VanDerWaalsContact C-N 3.26Å; L352-E354 HydrophobicContact CB-CG 3.82Å; L352-E354 PolarHBondContact O-N 3.02Å; E354-V356 HydrophobicContact CB-CG2 4.01Å; E354-V356 PolarHBondContact O-N 3.07Å; E354-V356 VanDerWaalsContact O-N 3.14Å
355	H	86.4	Confident	90.5	Very high	105 Å²	105	75.3 Å²	75.3	49%	0.486	41%	0.407	S	S	.	.			trans	50.3	32.6	-179.6	-65.7	-76.4	0	0	0	114.9	N349 G353 E358	N349-H355 PolarHBondContact OD1-N 2.81Å; G353-H355 PolarHBondContact O-CD2 3.3Å; G353-H355 VanDerWaalsContact O-CD2 3.26Å; H355-E358 IonicContact CE1-OE2 3.34Å; H355-E358 IonicContact CG-OE2 3.47Å; H355-E358 IonicContact ND1-OE1 3.8Å; H355-E358 PolarHBondContact ND1-OE1 3.34Å; H355-E358 IonicContact ND1-OE2 2.8Å; H355-E358 PolarHBondContact ND1-OE2 3.2Å
356	V	88.8	Confident	90.8	Very high	44 Å²	44	74.9 Å²	74.9	27%	0.267	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	137.3	-178.2	178.1	0	0	0	0	110.4	N349 E354 E358 L364	N349-V356 PolarHBondContact ND2-O 3.11Å; N349-V356 PolarHBondContact OD1-N 3.06Å; E354-V356 HydrophobicContact CB-CG2 4.01Å; E354-V356 PolarHBondContact O-N 3.07Å; E354-V356 VanDerWaalsContact O-N 3.14Å; V356-E358 VanDerWaalsContact C-N 3.28Å; V356-E358 PolarHBondContact O-N 3.47Å; V356-L364 HydrophobicContact CG1-CB 4.3Å; V356-L364 HydrophobicContact CG1-CD1 4Å
357	G	91.1	Very high	91.2	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-0.7	179.6	0	0	0	0	0	114.9	S362 L384 H385	G357-S362 VanDerWaalsContact CA-O 3.25Å; G357-S362 WeakPolarHBondContact CA-O 3.31Å; G357-S362 PolarHBondContact N-O 3.12Å; G357-L384 CarbonylContact O-C 3.48Å; G357-L384 WeakPolarHBondContact O-CA 3.37Å; G357-H385 PolarHBondContact O-N 3.49Å
358	E	90.9	Very high	91.6	Very high	93 Å²	93	71 Å²	71	44%	0.435	37%	0.371	S	S	.	.	S	Bend	trans	-76.5	-22.5	179.9	-69.2	179.5	-174.5	0	0	113.1	N349 H355 V356	N349-E358 WeakPolarHBondContact ND2-CG 3.31Å; N349-E358 PolarHBondContact ND2-OE1 2.84Å; H355-E358 IonicContact CE1-OE2 3.34Å; H355-E358 IonicContact CG-OE2 3.47Å; H355-E358 IonicContact ND1-OE1 3.8Å; H355-E358 PolarHBondContact ND1-OE1 3.34Å; H355-E358 IonicContact ND1-OE2 2.8Å; H355-E358 PolarHBondContact ND1-OE2 3.2Å; V356-E358 VanDerWaalsContact C-N 3.28Å; V356-E358 PolarHBondContact O-N 3.47Å
359	T	90.8	Very high	92.1	Very high	62 Å²	62	64.1 Å²	64.1	38%	0.38	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-135.3	163.6	177.7	85.1	0	0	0	0	111.7	E361 S362 H385	T359-E361 WeakPolarHBondContact CB-OE2 3.46Å; T359-E361 PolarHBondContact O-N 2.88Å; T359-E361 PolarHBondContact OG1-N 3.49Å; T359-E361 PolarHBondContact OG1-OE2 3.3Å; T359-S362 CarbonylContact O-C 3.57Å; T359-S362 PolarHBondContact O-N 3.25Å; T359-S362 PolarHBondContact OG1-N 3.45Å; T359-H385 WeakPolarHBondContact O-CB 3.46Å
360	A	90.5	Very high	92.5	Very high	53 Å²	53	63.5 Å²	63.5	44%	0.438	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.7	178	0	0	0	0	0	113.2	P363	A360-P363 WeakPolarHBondContact O-CD 3.48Å
361	E	92	Very high	92.9	Very high	161 Å²	161	55.9 Å²	55.9	75%	0.752	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.5	179	-57.8	72.7	-156.5	0	0	112.6	T359 P363	T359-E361 WeakPolarHBondContact CB-OE2 3.46Å; T359-E361 PolarHBondContact O-N 2.88Å; T359-E361 PolarHBondContact OG1-N 3.49Å; T359-E361 PolarHBondContact OG1-OE2 3.3Å; E361-P363 VanDerWaalsContact C-CD 3.41Å; E361-P363 WeakPolarHBondContact O-CD 3.46Å
362	S	93.1	Very high	93.3	Very high	50 Å²	50	52 Å²	52	35%	0.35	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-124.3	63.6	176.1	-169.5	0	0	0	0	110.6	G357 T359	G357-S362 VanDerWaalsContact CA-O 3.25Å; G357-S362 WeakPolarHBondContact CA-O 3.31Å; G357-S362 PolarHBondContact N-O 3.12Å; T359-S362 CarbonylContact O-C 3.57Å; T359-S362 PolarHBondContact O-N 3.25Å; T359-S362 PolarHBondContact OG1-N 3.45Å
363	P	95.9	Very high	93.7	Very high	24 Å²	24	47 Å²	47	16%	0.156	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-74.9	152	-175.5	32.3	-35	0	0	0	111.6	A360 E361 H385 R387	A360-P363 WeakPolarHBondContact O-CD 3.48Å; E361-P363 VanDerWaalsContact C-CD 3.41Å; E361-P363 WeakPolarHBondContact O-CD 3.46Å; P363-H385 CarbonylContact C-O 3.48Å; P363-H385 WeakPolarHBondContact CA-O 3.45Å; P363-H385 HydrophobicContact CB-CB 4.45Å; P363-R387 HydrophobicContact CB-CB 3.9Å; P363-R387 HydrophobicContact CG-CB 3.7Å
364	L	96.5	Very high	94.3	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130	167.4	-178.4	68.3	0	0	0	109.7	L341 V356 D366 L384 H385 L386 R387	L341-L364 HydrophobicContact CB-CD2 4.29Å; L341-L364 HydrophobicContact CD1-CD2 4.47Å; L341-L364 HydrophobicContact CD2-CD2 4.17Å; V356-L364 HydrophobicContact CG1-CB 4.3Å; V356-L364 HydrophobicContact CG1-CD1 4Å; L364-D366 PolarHBondContact O-N 2.89Å; L364-L384 HydrophobicContact CD2-CD2 3.77Å; L364-H385 PolarHBondContact N-O 3.33Å; L364-L386 HydrophobicContact CB-CD2 3.87Å; L364-L386 HydrophobicContact CD2-CD2 4.1Å; L364-L386 HydrophobicContact CG-CD2 4.33Å; L364-L386 CarbonylContact O-C 3.46Å; L364-L386 VanDerWaalsContact O-CA 3.27Å; L364-L386 WeakPolarHBondContact O-CA 3.39Å; L364-R387 PolarHBondContact O-N 2.85Å
365	L	97.5	Very high	95	Very high	106 Å²	106	47 Å²	47	56%	0.555	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.9	179.8	-59.6	-174.5	0	0	0	111	R387 T389	L365-R387 CarbonylContact C-O 3.38Å; L365-R387 WeakPolarHBondContact CA-O 3.38Å; L365-R387 HydrophobicContact CD2-CB 4.02Å; L365-R387 HydrophobicContact CD2-CG 4.43Å; L365-T389 HydrophobicContact CB-CG2 3.82Å; L365-T389 HydrophobicContact CD1-CG2 4.23Å; L365-T389 HydrophobicContact CD2-CG2 4.24Å; L365-T389 HydrophobicContact CG-CG2 4.31Å
366	D	98.3	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	109.1	179	-176.5	-8.3	0	0	0	110.5	R334 Y337 L364 C368 L369 R387 G388 T389	R334-D366 IonicContact CZ-OD2 3.61Å; R334-D366 IonicContact NH1-OD1 3.32Å; R334-D366 IonicContact NH1-OD2 2.98Å; R334-D366 PolarHBondContact NH1-OD2 3.34Å; R334-D366 IonicContact NH2-OD2 3.3Å; R334-D366 PolarHBondContact NH2-OD2 2.84Å; Y337-D366 PolarHBondContact OH-OD1 3.49Å; L364-D366 PolarHBondContact O-N 2.89Å; D366-C368 PolarHBondContact O-N 3.22Å; D366-C368 WeakPolarHBondContact OD1-CA 3.33Å; D366-C368 VanDerWaalsContact OD1-CB 3.22Å; D366-C368 WeakPolarHBondContact OD1-CB 3.33Å; D366-C368 PolarHBondContact OD1-N 2.99Å; D366-L369 HydrophobicContact CB-CB 4.38Å; D366-L369 HydrophobicContact CB-CD1 4.11Å; D366-L369 HydrophobicContact CB-CG 4.2Å; D366-L369 PolarHBondContact O-N 3.48Å; D366-L369 WeakPolarHBondContact OD2-CG 3.31Å; D366-R387 PolarHBondContact N-O 2.8Å; D366-G388 VanDerWaalsContact O-CA 3.28Å; D366-G388 WeakPolarHBondContact O-CA 3.27Å; D366-T389 PolarHBondContact O-N 2.91Å
367	P	98.6	Very high	95.7	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.071	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.5	177.1	28.4	-33	0	0	0	114.1	L369 T389 D391 E394 C395 I398	P367-L369 VanDerWaalsContact C-N 3.3Å; P367-T389 WeakPolarHBondContact CA-OG1 3.4Å; P367-D391 HydrophobicContact CB-CB 3.98Å; P367-D391 PolarHBondContact O-N 3.44Å; P367-E394 HydrophobicContact CB-CB 4.17Å; P367-E394 HydrophobicContact CB-CG 4.04Å; P367-E394 HydrophobicContact CG-CG 3.94Å; P367-C395 HydrophobicContact CB-CB 4.49Å; P367-I398 HydrophobicContact CG-CD1 3.52Å
368	C	98.6	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.9	178.6	-64.4	0	0	0	0	114	Y337 D366 C395 C490 F491	Y337-C368 HydrophobicContact CE1-CB 4.48Å; D366-C368 PolarHBondContact O-N 3.22Å; D366-C368 WeakPolarHBondContact OD1-CA 3.33Å; D366-C368 VanDerWaalsContact OD1-CB 3.22Å; D366-C368 WeakPolarHBondContact OD1-CB 3.33Å; D366-C368 PolarHBondContact OD1-N 2.99Å; C368-C395 WeakPolarHBondContact CA-SG 3.44Å; C368-C395 HydrophobicContact CB-CB 3.97Å; C368-C395 WeakPolarHBondContact CB-SG 3.15Å; C368-C395 WeakPolarHBondContact SG-CA 3.37Å; C368-C395 WeakPolarHBondContact SG-CB 3.43Å; C368-C395 CovalentContact SG-SG 2.04Å; C368-C395 PolarHBondContact SG-SG 3.41Å; C368-C490 WeakPolarHBondContact O-CB 3.36Å; C368-F491 HydrophobicContact CB-CB 4.04Å; C368-F491 HydrophobicContact CB-CD2 3.83Å; C368-F491 HydrophobicContact CB-CG 4.44Å; C368-F491 PolarHBondContact O-N 2.92Å
369	L	98.7	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-103.2	148.9	171.4	-72.8	-179.9	0	0	0	111.1	D366 P367 L373 D375 L386 G390 Y488	D366-L369 HydrophobicContact CB-CB 4.38Å; D366-L369 HydrophobicContact CB-CD1 4.11Å; D366-L369 HydrophobicContact CB-CG 4.2Å; D366-L369 PolarHBondContact O-N 3.48Å; D366-L369 WeakPolarHBondContact OD2-CG 3.31Å; P367-L369 VanDerWaalsContact C-N 3.3Å; L369-L373 HydrophobicContact CB-CD2 4.13Å; L369-L373 HydrophobicContact CD1-CD2 4.16Å; L369-L373 HydrophobicContact CD2-CD2 3.82Å; L369-L373 HydrophobicContact CG-CD2 4.23Å; L369-D375 HydrophobicContact CD1-CB 3.92Å; L369-L386 HydrophobicContact CD1-CB 4.21Å; L369-L386 HydrophobicContact CD1-CD1 4.09Å; L369-G390 VanDerWaalsContact O-CA 3.28Å; L369-G390 WeakPolarHBondContact O-CA 3.38Å; L369-G390 PolarHBondContact O-N 3.16Å; L369-Y488 HydrophobicContact CD2-CD1 4.3Å; L369-Y488 HydrophobicContact CD2-CE1 4.35Å
370	P	98.7	Very high	94.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-54.3	147.4	175.1	-25.3	33.5	0	0	0	113.1	D372 L373 G388 W465 L468 K487	P370-D372 PolarHBondContact O-N 2.9Å; P370-L373 VanDerWaalsContact O-CB 3.31Å; P370-L373 WeakPolarHBondContact O-CB 3.25Å; P370-L373 PolarHBondContact O-N 3.46Å; P370-L373 VanDerWaalsContact O-N 3.09Å; P370-G388 CarbonylContact O-C 3.59Å; P370-G388 WeakPolarHBondContact O-CA 3.5Å; P370-W465 HydrophobicContact CB-CE3 3.97Å; P370-W465 HydrophobicContact CG-CE3 4.03Å; P370-W465 HydrophobicContact CG-CZ3 4.13Å; P370-L468 HydrophobicContact CB-CD1 3.66Å; P370-L468 HydrophobicContact CG-CD1 4.11Å; P370-K487 VanDerWaalsContact CD-O 3.27Å; P370-K487 WeakPolarHBondContact CD-O 3.5Å
371	T	98.6	Very high	94.3	Very high	27 Å²	27	50.9 Å²	50.9	17%	0.166	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	130.8	-178.9	-57.1	0	0	0	0	112.1	L373 G388 T389 C461 A462 W465	T371-L373 PolarHBondContact O-N 3.42Å; T371-G388 CarbonylContact C-O 3.52Å; T371-G388 WeakPolarHBondContact CA-O 3.48Å; T371-T389 PolarHBondContact OG1-O 2.82Å; T371-C461 PolarHBondContact N-O 3.25Å; T371-C461 VanDerWaalsContact N-O 3.14Å; T371-C461 PolarHBondContact OG1-O 2.99Å; T371-C461 VanDerWaalsContact OG1-O 3.1Å; T371-A462 WeakPolarHBondContact OG1-CA 3.14Å; T371-W465 WeakPolarHBondContact O-CB 2.97Å; T371-W465 PolarHBondContact O-N 3Å
372	D	97.8	Very high	93.9	Very high	61 Å²	61	48.7 Å²	48.7	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	9.1	179.5	-60.3	-45.5	0	0	0	116.1	P370 L374 R387 G388	P370-D372 PolarHBondContact O-N 2.9Å; D372-L374 PolarHBondContact O-N 2.91Å; D372-R387 IonicContact OD1-CZ 3.56Å; D372-R387 IonicContact OD1-NE 2.8Å; D372-R387 PolarHBondContact OD1-NE 3.24Å; D372-R387 IonicContact OD1-NH2 3.44Å; D372-R387 PolarHBondContact OD1-NH2 2.96Å; D372-G388 PolarHBondContact N-O 3.37Å
373	L	98.1	Very high	93.8	Very high	6 Å²	6	52 Å²	52	3%	0.031	29%	0.289	C	S	.	.			trans	-66	124.1	168	169.8	65.4	0	0	0	109.4	L369 P370 T371 R387 G388 W465 K487	L369-L373 HydrophobicContact CB-CD2 4.13Å; L369-L373 HydrophobicContact CD1-CD2 4.16Å; L369-L373 HydrophobicContact CD2-CD2 3.82Å; L369-L373 HydrophobicContact CG-CD2 4.23Å; P370-L373 VanDerWaalsContact O-CB 3.31Å; P370-L373 WeakPolarHBondContact O-CB 3.25Å; P370-L373 PolarHBondContact O-N 3.46Å; P370-L373 VanDerWaalsContact O-N 3.09Å; T371-L373 PolarHBondContact O-N 3.42Å; L373-R387 CarbonylContact O-C 3.27Å; L373-R387 WeakPolarHBondContact O-CA 3.43Å; L373-G388 PolarHBondContact O-N 2.79Å; L373-W465 HydrophobicContact CB-CB 4.1Å; L373-W465 HydrophobicContact CB-CD2 4.12Å; L373-W465 HydrophobicContact CB-CE3 4.47Å; L373-W465 HydrophobicContact CB-CG 3.93Å; L373-W465 HydrophobicContact CD1-CD2 3.79Å; L373-W465 VanDerWaalsContact CD1-CE2 3.41Å; L373-W465 HydrophobicContact CD1-CE3 4.46Å; L373-W465 HydrophobicContact CD1-CG 4Å; L373-W465 HydrophobicContact CD1-CZ2 3.82Å; L373-W465 VanDerWaalsContact CD1-NE1 3.29Å; L373-W465 HydrophobicContact CG-CD2 4.42Å; L373-K487 HydrophobicContact CD2-CG 3.79Å
374	L	97.6	Very high	93.7	Very high	118 Å²	118	51.3 Å²	51.3	62%	0.618	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.7	165.5	-61.3	176.1	0	0	0	109.3	D372 L386 R387	D372-L374 PolarHBondContact O-N 2.91Å; L374-L386 WeakPolarHBondContact CA-O 3.35Å; L374-R387 HydrophobicContact CD2-CB 4.11Å; L374-R387 HydrophobicContact CD2-CG 4.11Å
375	D	96.4	Very high	93.7	Very high	24 Å²	24	51 Å²	51	13%	0.128	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.5	-179.5	-163.9	25.2	0	0	0	111.6	L369 L386 K487	L369-D375 HydrophobicContact CD1-CB 3.92Å; D375-L386 HydrophobicContact CB-CB 4.24Å; D375-L386 PolarHBondContact N-O 3.01Å; D375-L386 PolarHBondContact O-N 3.4Å; D375-K487 WeakPolarHBondContact OD1-CE 3.26Å; D375-K487 IonicContact OD1-NZ 3.33Å; D375-K487 PolarHBondContact OD1-NZ 2.84Å; D375-K487 WeakPolarHBondContact OD2-CE 3.32Å; D375-K487 IonicContact OD2-NZ 2.84Å; D375-K487 PolarHBondContact OD2-NZ 2.9Å
376	E	95.3	Very high	93.7	Very high	102 Å²	102	46 Å²	46	48%	0.477	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.6	178.4	-66.6	-179.7	-175.9	0	0	109.9	R383 L384 H385	E376-R383 HydrophobicContact CB-CG 4.32Å; E376-R383 VanDerWaalsContact OE2-CD 3.32Å; E376-R383 WeakPolarHBondContact OE2-CD 3.42Å; E376-R383 IonicContact OE2-NE 3.76Å; E376-R383 IonicContact OE2-NH1 3.52Å; E376-L384 WeakPolarHBondContact CA-O 3.18Å; E376-H385 IonicContact OE1-CE1 2.77Å; E376-H385 PolarHBondContact OE1-CE1 3.08Å; E376-H385 IonicContact OE1-ND1 3.65Å; E376-H385 PolarHBondContact OE1-ND1 2.76Å
377	I	94.4	Very high	93.7	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.2	-179.8	65.2	165.2	0	0	0	111.5	E338 L341 I342 R383 L384 L386	E338-I377 HydrophobicContact CB-CD1 3.7Å; E338-I377 HydrophobicContact CG-CD1 3.92Å; E338-I377 HydrophobicContact CG-CG2 4.17Å; L341-I377 HydrophobicContact CB-CD1 4.34Å; L341-I377 HydrophobicContact CD1-CD1 4.42Å; I342-I377 HydrophobicContact CD1-CD1 4.07Å; I342-I377 HydrophobicContact CD1-CG1 4.22Å; I342-I377 HydrophobicContact CG1-CD1 3.84Å; I342-I377 HydrophobicContact CG1-CG1 4.14Å; I377-R383 WeakPolarHBondContact O-CA 3.16Å; I377-L384 HydrophobicContact CD1-CD2 4.18Å; I377-L384 HydrophobicContact CG1-CB 3.91Å; I377-L384 HydrophobicContact CG1-CD2 4.35Å; I377-L384 PolarHBondContact N-O 3.45Å; I377-L384 PolarHBondContact O-N 2.94Å; I377-L386 HydrophobicContact CD1-CD1 3.93Å; I377-L386 HydrophobicContact CD1-CD2 4.47Å; I377-L386 HydrophobicContact CD1-CG 4.49Å; I377-L386 HydrophobicContact CG1-CD1 4.04Å; I377-L386 HydrophobicContact CG1-CG 4.29Å; I377-L386 HydrophobicContact CG2-CD1 3.92Å
378	G	89.3	Confident	93.7	Very high	38 Å²	38	50.7 Å²	50.7	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	89.7	172	176.1	0	0	0	0	0	115
379	P	85.6	Confident	93.7	Very high	68 Å²	68	53.4 Å²	53.4	44%	0.442	29%	0.288	S	S	.	.			trans	-68.1	161.7	178.5	30.5	-34.3	0	0	0	110.8	T381 Q382 R383	P379-T381 PolarHBondContact O-N 2.99Å; P379-Q382 HydrophobicContact CG-CB 4.12Å; P379-Q382 CarbonylContact O-C 3.5Å; P379-Q382 VanDerWaalsContact O-C 3.27Å; P379-Q382 PolarHBondContact O-N 3.37Å; P379-R383 PolarHBondContact O-N 3.18Å
380	S	80.8	Confident	93.7	Very high	98 Å²	98	53.7 Å²	53.7	69%	0.685	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-55	-28	-179.8	51.1	0	0	0	0	114.2
381	T	79.6	Confident	93.7	Very high	123 Å²	123	57 Å²	57	76%	0.755	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-82.4	-16.2	179.2	53	0	0	0	0	114.5	P379	P379-T381 PolarHBondContact O-N 2.99Å
382	Q	82.5	Confident	93.7	Very high	115 Å²	115	55.9 Å²	55.9	54%	0.537	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-139.6	44.8	-179.6	-67.2	-177.3	-12.2	0	0	110	P379 L384	P379-Q382 HydrophobicContact CG-CB 4.12Å; P379-Q382 CarbonylContact O-C 3.5Å; P379-Q382 VanDerWaalsContact O-C 3.27Å; P379-Q382 PolarHBondContact O-N 3.37Å; Q382-L384 PolarHBondContact O-N 2.73Å
383	R	90.4	Very high	93.7	Very high	119 Å²	119	55.9 Å²	55.9	45%	0.449	30%	0.301	S	S	.	.			trans	-70.5	129.6	-178.2	-174.1	167.3	-68.4	167.7	2.5	109.6	E376 I377 P379	E376-R383 HydrophobicContact CB-CG 4.32Å; E376-R383 VanDerWaalsContact OE2-CD 3.32Å; E376-R383 WeakPolarHBondContact OE2-CD 3.42Å; E376-R383 IonicContact OE2-NE 3.76Å; E376-R383 IonicContact OE2-NH1 3.52Å; I377-R383 WeakPolarHBondContact O-CA 3.16Å; P379-R383 PolarHBondContact O-N 3.18Å
384	L	94.6	Very high	93.8	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123	179	-165.5	73.2	0	0	0	109.3	L341 I342 A345 G357 L364 E376 I377 Q382 L386	L341-L384 HydrophobicContact CB-CD2 4.24Å; I342-L384 HydrophobicContact CG1-CD2 4.42Å; A345-L384 HydrophobicContact CB-CD1 3.67Å; A345-L384 HydrophobicContact CB-CD2 4.13Å; G357-L384 CarbonylContact O-C 3.48Å; G357-L384 WeakPolarHBondContact O-CA 3.37Å; L364-L384 HydrophobicContact CD2-CD2 3.77Å; E376-L384 WeakPolarHBondContact CA-O 3.18Å; I377-L384 HydrophobicContact CD1-CD2 4.18Å; I377-L384 HydrophobicContact CG1-CB 3.91Å; I377-L384 HydrophobicContact CG1-CD2 4.35Å; I377-L384 PolarHBondContact N-O 3.45Å; I377-L384 PolarHBondContact O-N 2.94Å; Q382-L384 PolarHBondContact O-N 2.73Å; L384-L386 HydrophobicContact CD2-CD2 3.8Å; L384-L386 HydrophobicContact CG-CD2 4.04Å
385	H	96.5	Very high	93.8	Very high	34 Å²	34	53 Å²	53	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127	173.2	-63.5	-89.6	0	0	0	109.5	G357 T359 P363 L364 E376	G357-H385 PolarHBondContact O-N 3.49Å; T359-H385 WeakPolarHBondContact O-CB 3.46Å; P363-H385 CarbonylContact C-O 3.48Å; P363-H385 WeakPolarHBondContact CA-O 3.45Å; P363-H385 HydrophobicContact CB-CB 4.45Å; L364-H385 PolarHBondContact N-O 3.33Å; E376-H385 IonicContact OE1-CE1 2.77Å; E376-H385 PolarHBondContact OE1-CE1 3.08Å; E376-H385 IonicContact OE1-ND1 3.65Å; E376-H385 PolarHBondContact OE1-ND1 2.76Å
386	L	97.8	Very high	93.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.3	-179.1	-54.9	-177.2	0	0	0	110.9	L341 L364 L369 L374 D375 I377 L384	L341-L386 HydrophobicContact CD1-CD1 4.46Å; L341-L386 HydrophobicContact CD1-CD2 4.39Å; L364-L386 HydrophobicContact CB-CD2 3.87Å; L364-L386 HydrophobicContact CD2-CD2 4.1Å; L364-L386 HydrophobicContact CG-CD2 4.33Å; L364-L386 CarbonylContact O-C 3.46Å; L364-L386 VanDerWaalsContact O-CA 3.27Å; L364-L386 WeakPolarHBondContact O-CA 3.39Å; L369-L386 HydrophobicContact CD1-CB 4.21Å; L369-L386 HydrophobicContact CD1-CD1 4.09Å; L374-L386 WeakPolarHBondContact CA-O 3.35Å; D375-L386 HydrophobicContact CB-CB 4.24Å; D375-L386 PolarHBondContact N-O 3.01Å; D375-L386 PolarHBondContact O-N 3.4Å; I377-L386 HydrophobicContact CD1-CD1 3.93Å; I377-L386 HydrophobicContact CD1-CD2 4.47Å; I377-L386 HydrophobicContact CD1-CG 4.49Å; I377-L386 HydrophobicContact CG1-CD1 4.04Å; I377-L386 HydrophobicContact CG1-CG 4.29Å; I377-L386 HydrophobicContact CG2-CD1 3.92Å; L384-L386 HydrophobicContact CD2-CD2 3.8Å; L384-L386 HydrophobicContact CG-CD2 4.04Å
387	R	98.3	Very high	94	Very high	109 Å²	109	56.2 Å²	56.2	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.1	166.2	-177.2	177.1	-179.3	175.3	0.9	110.4	P363 L364 L365 D366 D372 L373 L374	P363-R387 HydrophobicContact CB-CB 3.9Å; P363-R387 HydrophobicContact CG-CB 3.7Å; L364-R387 PolarHBondContact O-N 2.85Å; L365-R387 CarbonylContact C-O 3.38Å; L365-R387 WeakPolarHBondContact CA-O 3.38Å; L365-R387 HydrophobicContact CD2-CB 4.02Å; L365-R387 HydrophobicContact CD2-CG 4.43Å; D366-R387 PolarHBondContact N-O 2.8Å; D372-R387 IonicContact OD1-CZ 3.56Å; D372-R387 IonicContact OD1-NE 2.8Å; D372-R387 PolarHBondContact OD1-NE 3.24Å; D372-R387 IonicContact OD1-NH2 3.44Å; D372-R387 PolarHBondContact OD1-NH2 2.96Å; L373-R387 CarbonylContact O-C 3.27Å; L373-R387 WeakPolarHBondContact O-CA 3.43Å; L374-R387 HydrophobicContact CD2-CB 4.11Å; L374-R387 HydrophobicContact CD2-CG 4.11Å
388	G	98.5	Very high	94.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.7	179.4	0	0	0	0	0	112.7	D366 P370 T371 D372 L373	D366-G388 VanDerWaalsContact O-CA 3.28Å; D366-G388 WeakPolarHBondContact O-CA 3.27Å; P370-G388 CarbonylContact O-C 3.59Å; P370-G388 WeakPolarHBondContact O-CA 3.5Å; T371-G388 CarbonylContact C-O 3.52Å; T371-G388 WeakPolarHBondContact CA-O 3.48Å; D372-G388 PolarHBondContact N-O 3.37Å; L373-G388 PolarHBondContact O-N 2.79Å
389	T	98.6	Very high	94.6	Very high	58 Å²	58	56.1 Å²	56.1	36%	0.356	28%	0.281	S	S	.	.			trans	-101.2	-18.2	173.2	65.1	0	0	0	0	112.8	L365 D366 P367 T371	L365-T389 HydrophobicContact CB-CG2 3.82Å; L365-T389 HydrophobicContact CD1-CG2 4.23Å; L365-T389 HydrophobicContact CD2-CG2 4.24Å; L365-T389 HydrophobicContact CG-CG2 4.31Å; D366-T389 PolarHBondContact O-N 2.91Å; P367-T389 WeakPolarHBondContact CA-OG1 3.4Å; T371-T389 PolarHBondContact OG1-O 2.82Å
390	G	98.5	Very high	95.1	Very high	5 Å²	5	57 Å²	57	5%	0.052	28%	0.279	C	S	.	.			trans	73.8	21.5	175.4	0	0	0	0	0	115.1	L369 F392 C461 A462	L369-G390 VanDerWaalsContact O-CA 3.28Å; L369-G390 WeakPolarHBondContact O-CA 3.38Å; L369-G390 PolarHBondContact O-N 3.16Å; G390-F392 PolarHBondContact O-N 3.48Å; G390-C461 WeakPolarHBondContact CA-O 3.45Å; G390-C461 CarbonylContact O-C 3.31Å; G390-C461 VanDerWaalsContact O-CB 3.24Å; G390-C461 WeakPolarHBondContact O-CB 3.29Å; G390-A462 PolarHBondContact O-N 3.34Å
391	D	98.8	Very high	95.8	Very high	71 Å²	71	56.8 Å²	56.8	38%	0.38	28%	0.275	S	S	.	.			trans	-88.3	95.4	179.1	-166.8	-25.5	0	0	0	111.5	P367 D393 E394 C395	P367-D391 HydrophobicContact CB-CB 3.98Å; P367-D391 PolarHBondContact O-N 3.44Å; D391-D393 VanDerWaalsContact C-N 3.34Å; D391-D393 PolarHBondContact O-N 3.32Å; D391-D393 PolarHBondContact OD1-N 2.85Å; D391-D393 VanDerWaalsContact OD1-N 3.1Å; D391-E394 HydrophobicContact CB-CB 3.94Å; D391-E394 VanDerWaalsContact CG-CB 3.49Å; D391-E394 PolarHBondContact OD1-N 3.28Å; D391-C395 VanDerWaalsContact O-CB 3.28Å; D391-C395 WeakPolarHBondContact O-CB 3.25Å; D391-C395 PolarHBondContact O-N 2.8Å
392	F	98.6	Very high	96.6	Very high	2 Å²	2	52 Å²	52	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-38.7	179.5	175.6	-102.5	0	0	0	113.7	G390 R396 A454 A457 K458 C461 A494	G390-F392 PolarHBondContact O-N 3.48Å; F392-R396 HydrophobicContact CE1-CG 4.26Å; F392-R396 HydrophobicContact CE2-CG 4.38Å; F392-R396 VanDerWaalsContact CZ-CD 3.47Å; F392-R396 HydrophobicContact CZ-CG 4.15Å; F392-R396 VanDerWaalsContact O-CG 3.31Å; F392-R396 WeakPolarHBondContact O-CG 3.44Å; F392-R396 PolarHBondContact O-N 3.48Å; F392-A454 HydrophobicContact CE1-CB 3.95Å; F392-A457 HydrophobicContact CD2-CB 3.76Å; F392-A457 HydrophobicContact CE1-CB 4.4Å; F392-A457 HydrophobicContact CE2-CB 3.47Å; F392-A457 VanDerWaalsContact CE2-CB 3.47Å; F392-A457 HydrophobicContact CG-CB 4.33Å; F392-A457 HydrophobicContact CZ-CB 3.81Å; F392-K458 HydrophobicContact CB-CB 4.09Å; F392-K458 HydrophobicContact CB-CG 4.37Å; F392-K458 HydrophobicContact CD1-CB 4.24Å; F392-K458 HydrophobicContact CG-CB 4.39Å; F392-C461 HydrophobicContact CB-CB 4.44Å; F392-A494 HydrophobicContact CD2-CB 4.17Å; F392-A494 HydrophobicContact CE2-CB 3.93Å
393	D	98.4	Very high	97.2	Very high	61 Å²	61	46.5 Å²	46.5	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-75.5	-39.9	-175.6	-69.4	-47.4	0	0	0	110.7	D391 R396 R397 K458	D391-D393 VanDerWaalsContact C-N 3.34Å; D391-D393 PolarHBondContact O-N 3.32Å; D391-D393 PolarHBondContact OD1-N 2.85Å; D391-D393 VanDerWaalsContact OD1-N 3.1Å; D393-R396 WeakPolarHBondContact O-CB 3.45Å; D393-R396 PolarHBondContact O-N 3.43Å; D393-R396 IonicContact OD1-NH1 3.36Å; D393-R396 PolarHBondContact OD1-NH1 2.82Å; D393-R397 PolarHBondContact O-N 3.5Å; D393-R397 VanDerWaalsContact O-N 3.14Å; D393-K458 WeakPolarHBondContact OD2-CE 3.25Å; D393-K458 IonicContact OD2-NZ 2.7Å; D393-K458 PolarHBondContact OD2-NZ 3.43Å
394	E	98.5	Very high	97.3	Very high	62 Å²	62	45 Å²	45	29%	0.29	22%	0.219	S	C	.	.	H	α-helix	trans	-66.8	-40.8	173.2	179.2	61.3	-178.1	0	0	111.6	P367 D391 R396 R397 I398	P367-E394 HydrophobicContact CB-CB 4.17Å; P367-E394 HydrophobicContact CB-CG 4.04Å; P367-E394 HydrophobicContact CG-CG 3.94Å; D391-E394 HydrophobicContact CB-CB 3.94Å; D391-E394 VanDerWaalsContact CG-CB 3.49Å; D391-E394 PolarHBondContact OD1-N 3.28Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 2.94Å; E394-R397 PolarHBondContact O-N 3.47Å; E394-R397 IonicContact OE1-CZ 3.35Å; E394-R397 IonicContact OE1-NE 2.98Å; E394-R397 IonicContact OE1-NH2 2.81Å; E394-R397 PolarHBondContact OE1-NH2 2.9Å; E394-R397 IonicContact OE2-CZ 2.6Å; E394-R397 IonicContact OE2-NE 3.83Å; E394-R397 PolarHBondContact OE2-NE 3.5Å; E394-R397 IonicContact OE2-NH2 3.53Å; E394-R397 PolarHBondContact OE2-NH2 3.23Å; E394-I398 HydrophobicContact CG-CD1 3.87Å; E394-I398 WeakPolarHBondContact O-CG1 3.28Å; E394-I398 PolarHBondContact O-N 3.38Å
395	C	98.8	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-50.5	173.2	177.8	0	0	0	0	110.9	P367 C368 D391 R397 I398 L399 A494	P367-C395 HydrophobicContact CB-CB 4.49Å; C368-C395 WeakPolarHBondContact CA-SG 3.44Å; C368-C395 HydrophobicContact CB-CB 3.97Å; C368-C395 WeakPolarHBondContact CB-SG 3.15Å; C368-C395 WeakPolarHBondContact SG-CA 3.37Å; C368-C395 WeakPolarHBondContact SG-CB 3.43Å; C368-C395 CovalentContact SG-SG 2.04Å; C368-C395 PolarHBondContact SG-SG 3.41Å; D391-C395 VanDerWaalsContact O-CB 3.28Å; D391-C395 WeakPolarHBondContact O-CB 3.25Å; D391-C395 PolarHBondContact O-N 2.8Å; C395-R397 VanDerWaalsContact C-N 3.32Å; C395-R397 PolarHBondContact O-N 2.88Å; C395-I398 PolarHBondContact O-N 3.16Å; C395-I398 VanDerWaalsContact O-N 3.17Å; C395-L399 VanDerWaalsContact O-CG 3.26Å; C395-L399 WeakPolarHBondContact O-CG 3.46Å; C395-L399 PolarHBondContact O-N 3.09Å; C395-A494 HydrophobicContact CB-CB 4.28Å; C395-A494 VanDerWaalsContact SG-CB 3.56Å
396	R	98.3	Very high	96.6	Very high	50 Å²	50	50.3 Å²	50.3	19%	0.189	24%	0.243	C	C	.	.	H	α-helix	trans	-54	-46.7	176.5	-76.5	173.4	55.5	-142.3	-7.7	112.6	F392 D393 E394 I398 L399 Q400 A494 Y497 E498	F392-R396 HydrophobicContact CE1-CG 4.26Å; F392-R396 HydrophobicContact CE2-CG 4.38Å; F392-R396 VanDerWaalsContact CZ-CD 3.47Å; F392-R396 HydrophobicContact CZ-CG 4.15Å; F392-R396 VanDerWaalsContact O-CG 3.31Å; F392-R396 WeakPolarHBondContact O-CG 3.44Å; F392-R396 PolarHBondContact O-N 3.48Å; D393-R396 WeakPolarHBondContact O-CB 3.45Å; D393-R396 PolarHBondContact O-N 3.43Å; D393-R396 IonicContact OD1-NH1 3.36Å; D393-R396 PolarHBondContact OD1-NH1 2.82Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 2.94Å; R396-I398 VanDerWaalsContact C-N 3.35Å; R396-I398 PolarHBondContact O-N 2.88Å; R396-L399 PolarHBondContact O-N 3.37Å; R396-Q400 PolarHBondContact O-N 3.04Å; R396-A494 HydrophobicContact CG-CB 3.64Å; R396-Y497 VanDerWaalsContact NE-CD1 3.27Å; R396-E498 HydrophobicContact CB-CG 4.03Å; R396-E498 HydrophobicContact CG-CG 4.16Å; R396-E498 IonicContact CZ-OE1 3.48Å; R396-E498 IonicContact NE-OE1 3.36Å; R396-E498 PolarHBondContact NE-OE1 3.22Å; R396-E498 IonicContact NH2-OE1 2.74Å; R396-E498 PolarHBondContact NH2-OE1 3.05Å
397	R	98.1	Very high	95.9	Very high	144 Å²	144	58.5 Å²	58.5	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-42.5	179.5	-167.1	-171.8	68.1	77.6	0.7	112	D393 E394 C395 L399 Q400	D393-R397 PolarHBondContact O-N 3.5Å; D393-R397 VanDerWaalsContact O-N 3.14Å; E394-R397 PolarHBondContact O-N 3.47Å; E394-R397 IonicContact OE1-CZ 3.35Å; E394-R397 IonicContact OE1-NE 2.98Å; E394-R397 IonicContact OE1-NH2 2.81Å; E394-R397 PolarHBondContact OE1-NH2 2.9Å; E394-R397 IonicContact OE2-CZ 2.6Å; E394-R397 IonicContact OE2-NE 3.83Å; E394-R397 PolarHBondContact OE2-NE 3.5Å; E394-R397 IonicContact OE2-NH2 3.53Å; E394-R397 PolarHBondContact OE2-NH2 3.23Å; C395-R397 VanDerWaalsContact C-N 3.32Å; C395-R397 PolarHBondContact O-N 2.88Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 2.82Å; R397-Q400 PolarHBondContact O-N 2.6Å
398	I	97.8	Very high	95.1	Very high	46 Å²	46	58.1 Å²	58.1	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-27.7	178.8	-68.1	168.4	0	0	0	112.1	Y337 P367 E394 C395 R396 P401	Y337-I398 HydrophobicContact CE2-CG2 3.74Å; P367-I398 HydrophobicContact CG-CD1 3.52Å; E394-I398 HydrophobicContact CG-CD1 3.87Å; E394-I398 WeakPolarHBondContact O-CG1 3.28Å; E394-I398 PolarHBondContact O-N 3.38Å; C395-I398 PolarHBondContact O-N 3.16Å; C395-I398 VanDerWaalsContact O-N 3.17Å; R396-I398 VanDerWaalsContact C-N 3.35Å; R396-I398 PolarHBondContact O-N 2.88Å; I398-P401 VanDerWaalsContact O-CD 3.31Å; I398-P401 WeakPolarHBondContact O-CD 3.08Å
399	L	97.8	Very high	94.3	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-80.7	-18.5	180	-65.1	-179.8	0	0	0	114.1	Y337 C395 R396 R397 F402 F491 A494 W495	Y337-L399 HydrophobicContact CD2-CD2 3.99Å; Y337-L399 HydrophobicContact CE2-CD2 4.49Å; Y337-L399 HydrophobicContact CG-CD2 4.37Å; C395-L399 VanDerWaalsContact O-CG 3.26Å; C395-L399 WeakPolarHBondContact O-CG 3.46Å; C395-L399 PolarHBondContact O-N 3.09Å; R396-L399 PolarHBondContact O-N 3.37Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 2.82Å; L399-F402 HydrophobicContact CD2-CD2 4.47Å; L399-F402 WeakPolarHBondContact O-CB 3.17Å; L399-F402 PolarHBondContact O-N 2.86Å; L399-F491 HydrophobicContact CD1-CD2 4.31Å; L399-F491 HydrophobicContact CD1-CE2 4.14Å; L399-F491 HydrophobicContact CD1-CZ 4.4Å; L399-F491 HydrophobicContact CD2-CD2 4.08Å; L399-F491 HydrophobicContact CD2-CE2 3.34Å; L399-F491 HydrophobicContact CD2-CZ 3.84Å; L399-F491 HydrophobicContact CG-CE2 4.37Å; L399-A494 HydrophobicContact CD1-CB 3.86Å; L399-W495 HydrophobicContact CB-CE3 4.29Å; L399-W495 HydrophobicContact CD1-CB 4.22Å; L399-W495 HydrophobicContact CD1-CE3 4.4Å
400	Q	96.2	Very high	93.5	Very high	87 Å²	87	65.2 Å²	65.2	41%	0.407	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54.2	-43.6	-178.3	-72.7	-174.5	-11.4	0	0	114.5	R396 R397 F402 L403 E498	R396-Q400 PolarHBondContact O-N 3.04Å; R397-Q400 PolarHBondContact O-N 2.6Å; Q400-F402 PolarHBondContact O-N 2.86Å; Q400-L403 VanDerWaalsContact O-CB 3.31Å; Q400-L403 WeakPolarHBondContact O-CB 3.43Å; Q400-L403 WeakPolarHBondContact O-CG 3.45Å; Q400-L403 PolarHBondContact O-N 3.3Å; Q400-L403 VanDerWaalsContact O-N 3.14Å; Q400-E498 WeakPolarHBondContact CG-OE2 3.47Å; Q400-E498 PolarHBondContact NE2-OE2 3.39Å; Q400-E498 VanDerWaalsContact NE2-OE2 3.08Å
401	P	95.3	Very high	93.1	Very high	92 Å²	92	65.8 Å²	65.8	60%	0.597	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-59.7	-28.6	175.8	-24.8	35.9	0	0	0	113.9	I398 L403 N404	I398-P401 VanDerWaalsContact O-CD 3.31Å; I398-P401 WeakPolarHBondContact O-CD 3.08Å; P401-L403 PolarHBondContact O-N 2.98Å; P401-N404 PolarHBondContact O-N 2.91Å; P401-N404 PolarHBondContact O-OD1 3.47Å
402	F	96.3	Very high	92.8	Very high	22 Å²	22	62.4 Å²	62.4	10%	0.096	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-73.2	-12.7	-179.5	-68.1	-97	0	0	0	113.4	F328 R336 Y337 N340 L399 Q400 N404 W495	F328-F402 WeakPolarHBondContact CE1-O 3.05Å; R336-F402 HydrophobicContact CB-CD1 4.31Å; R336-F402 HydrophobicContact CB-CE1 4.42Å; R336-F402 PolarHBondContact NH1-O 3.36Å; R336-F402 PolarHBondContact NH2-O 2.93Å; Y337-F402 AromaticContact CD2-CE2 3.93Å; Y337-F402 HydrophobicContact CD2-CE2 3.93Å; Y337-F402 AromaticContact CD2-CZ 3.89Å; Y337-F402 HydrophobicContact CD2-CZ 3.89Å; N340-F402 HydrophobicContact CB-CE1 3.96Å; N340-F402 HydrophobicContact CB-CZ 3.67Å; L399-F402 HydrophobicContact CD2-CD2 4.47Å; L399-F402 WeakPolarHBondContact O-CB 3.17Å; L399-F402 PolarHBondContact O-N 2.86Å; Q400-F402 PolarHBondContact O-N 2.86Å; F402-N404 PolarHBondContact O-N 2.65Å; F402-W495 HydrophobicContact CB-CH2 4.16Å; F402-W495 HydrophobicContact CB-CZ3 3.82Å
403	L	95.6	Very high	92.6	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-70.6	-16.9	171.8	-58.2	176	0	0	0	112.5	Q400 P401 R405 L413 S414 W495 E498 V499 T502	Q400-L403 VanDerWaalsContact O-CB 3.31Å; Q400-L403 WeakPolarHBondContact O-CB 3.43Å; Q400-L403 WeakPolarHBondContact O-CG 3.45Å; Q400-L403 PolarHBondContact O-N 3.3Å; Q400-L403 VanDerWaalsContact O-N 3.14Å; P401-L403 PolarHBondContact O-N 2.98Å; L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 HydrophobicContact CB-CG 3.96Å; L403-R405 PolarHBondContact O-N 2.86Å; L403-L413 HydrophobicContact CB-CD2 3.91Å; L403-L413 HydrophobicContact CD2-CD2 3.59Å; L403-L413 HydrophobicContact CG-CD2 4.26Å; L403-S414 PolarHBondContact O-N 2.8Å; L403-S414 VanDerWaalsContact O-N 3.1Å; L403-W495 HydrophobicContact CD2-CE3 4.38Å; L403-W495 HydrophobicContact CD2-CH2 3.71Å; L403-W495 HydrophobicContact CD2-CZ2 4.44Å; L403-W495 HydrophobicContact CD2-CZ3 3.66Å; L403-W495 HydrophobicContact CG-CZ3 4.35Å; L403-E498 HydrophobicContact CD1-CB 4.24Å; L403-E498 HydrophobicContact CD2-CB 4.49Å; L403-V499 HydrophobicContact CD2-CG2 3.82Å; L403-T502 HydrophobicContact CD1-CG2 3.66Å
404	N	92.4	Very high	92.3	Very high	87 Å²	87	61.8 Å²	61.8	47%	0.465	32%	0.315	S	S	.	.			trans	50.2	40.7	-177.5	-71.4	0.5	0	0	0	113.5	F328 P401 F402 S414 G415	F328-N404 HydrophobicContact CZ-CB 4.5Å; P401-N404 PolarHBondContact O-N 2.91Å; P401-N404 PolarHBondContact O-OD1 3.47Å; F402-N404 PolarHBondContact O-N 2.65Å; N404-S414 CarbonylContact O-C 3.51Å; N404-S414 WeakPolarHBondContact O-CA 3.44Å; N404-S414 PolarHBondContact O-N 3.28Å; N404-G415 PolarHBondContact O-N 2.87Å
405	R	90.3	Very high	91.8	Very high	104 Å²	104	59.8 Å²	59.8	39%	0.392	31%	0.311	S	S	.	.			trans	-70.5	144.6	-179.9	-66	-165	68.3	-164.1	-4.1	111.6	L403 T502	L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 HydrophobicContact CB-CG 3.96Å; L403-R405 PolarHBondContact O-N 2.86Å; R405-T502 WeakPolarHBondContact CD-O 3.28Å; R405-T502 PolarHBondContact NE-O 2.87Å; R405-T502 PolarHBondContact NH1-O 2.97Å
406	T	86.2	Confident	91.4	Very high	51 Å²	51	62.4 Å²	62.4	31%	0.313	32%	0.324	S	S	.	.			trans	-99.3	165.2	166.7	68.5	0	0	0	0	109.9	D408 T411	T406-D408 WeakPolarHBondContact CB-OD2 3.46Å; T406-D408 PolarHBondContact O-N 2.89Å; T406-D408 PolarHBondContact OG1-OD2 3.1Å; T406-T411 PolarHBondContact OG1-OG1 3.42Å
407	N	83.2	Confident	91.1	Very high	174 Å²	174	60.4 Å²	60.4	93%	0.93	32%	0.317	S	S	*	.	S	Bend	trans	-81.9	5.4	176	-70.3	-23.4	0	0	0	112.9
408	D	81.6	Confident	90.8	Very high	101 Å²	101	54.3 Å²	54.3	54%	0.54	29%	0.294	S	S	.	.			trans	-71.3	147.6	-177	-55.6	-48.2	0	0	0	111.2	T406 T411	T406-D408 WeakPolarHBondContact CB-OD2 3.46Å; T406-D408 PolarHBondContact O-N 2.89Å; T406-D408 PolarHBondContact OG1-OD2 3.1Å; D408-T411 HydrophobicContact CB-CG2 3.75Å; D408-T411 PolarHBondContact O-OG1 2.83Å; D408-T411 VanDerWaalsContact O-OG1 3.12Å
409	T	80.4	Confident	90.4	Very high	118 Å²	118	52.3 Å²	52.3	72%	0.724	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	144.7	173.4	56	0	0	0	0	110.5	T411	T409-T411 VanDerWaalsContact C-N 3.3Å; T409-T411 PolarHBondContact O-N 2.67Å
410	Q	83.4	Confident	89.9	Confident	89 Å²	89	56.6 Å²	56.6	42%	0.416	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	32.7	178.8	-53	178.1	8.1	0	0	113.9	Y417 Q418	Q410-Y417 HydrophobicContact CB-CD2 4.34Å; Q410-Y417 HydrophobicContact CB-CE2 4.15Å; Q410-Y417 CarbonylContact O-C 3.54Å; Q410-Y417 WeakPolarHBondContact O-CA 3.36Å; Q410-Q418 PolarHBondContact O-N 3.12Å
411	T	89.3	Confident	89.6	Confident	18 Å²	18	53.4 Å²	53.4	11%	0.11	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-119.4	155.7	170.4	66.3	0	0	0	0	111.5	T406 D408 T409 G415 I416	T406-T411 PolarHBondContact OG1-OG1 3.42Å; D408-T411 HydrophobicContact CB-CG2 3.75Å; D408-T411 PolarHBondContact O-OG1 2.83Å; D408-T411 VanDerWaalsContact O-OG1 3.12Å; T409-T411 VanDerWaalsContact C-N 3.3Å; T409-T411 PolarHBondContact O-N 2.67Å; T411-G415 VanDerWaalsContact CG2-O 3.28Å; T411-G415 WeakPolarHBondContact CG2-O 3.46Å; T411-I416 CarbonylContact C-O 3.58Å; T411-I416 VanDerWaalsContact CA-O 3.26Å; T411-I416 WeakPolarHBondContact CA-O 3.21Å
412	S	92.5	Very high	89.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.			trans	-119	-128.8	-177.2	62.8	0	0	0	0	110.9	F325 I416 Q418 G503	F325-S412 WeakPolarHBondContact CZ-OG 3.35Å; S412-I416 PolarHBondContact N-O 2.92Å; S412-I416 PolarHBondContact OG-O 3.22Å; S412-Q418 VanDerWaalsContact CB-OE1 3.25Å; S412-G503 WeakPolarHBondContact CA-O 3.38Å
413	L	93.6	Very high	89.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-66.8	143.4	176.1	-55	173.2	0	0	0	110.2	F325 F328 L403 G415 I416 V499 F504	F325-L413 HydrophobicContact CB-CD1 4.25Å; F325-L413 HydrophobicContact CD1-CB 3.58Å; F325-L413 HydrophobicContact CD1-CD1 4.15Å; F325-L413 HydrophobicContact CD1-CG 4.43Å; F325-L413 HydrophobicContact CD2-CD1 3.92Å; F325-L413 HydrophobicContact CE1-CB 3.6Å; F325-L413 HydrophobicContact CE1-CD1 4.48Å; F325-L413 HydrophobicContact CE1-CG 4.43Å; F325-L413 WeakPolarHBondContact CE1-O 3.31Å; F325-L413 HydrophobicContact CE2-CD1 4.29Å; F325-L413 HydrophobicContact CG-CB 4.15Å; F325-L413 HydrophobicContact CG-CD1 3.83Å; F325-L413 HydrophobicContact CZ-CB 4.19Å; F328-L413 HydrophobicContact CB-CD1 4.5Å; F328-L413 HydrophobicContact CD1-CB 4.24Å; F328-L413 HydrophobicContact CD1-CD1 3.82Å; F328-L413 HydrophobicContact CD1-CD2 4.29Å; F328-L413 HydrophobicContact CD1-CG 4.36Å; F328-L413 HydrophobicContact CE1-CB 4.01Å; F328-L413 HydrophobicContact CE1-CD1 4.42Å; F328-L413 HydrophobicContact CE1-CD2 4.32Å; F328-L413 HydrophobicContact CE1-CG 4.49Å; F328-L413 HydrophobicContact CG-CD1 4.32Å; L403-L413 HydrophobicContact CB-CD2 3.91Å; L403-L413 HydrophobicContact CD2-CD2 3.59Å; L403-L413 HydrophobicContact CG-CD2 4.26Å; L413-G415 PolarHBondContact O-N 3.23Å; L413-I416 WeakPolarHBondContact O-CB 3.08Å; L413-I416 WeakPolarHBondContact O-CG1 3.36Å; L413-I416 PolarHBondContact O-N 2.79Å; L413-V499 HydrophobicContact CD1-CG1 4.22Å; L413-F504 HydrophobicContact CD1-CE1 3.82Å; L413-F504 HydrophobicContact CD1-CZ 3.83Å; L413-F504 HydrophobicContact CG-CE1 4.1Å
414	S	91.9	Very high	88.8	Confident	50 Å²	50	59.7 Å²	59.7	35%	0.35	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	53.4	23.6	-179.1	-62.8	0	0	0	0	115.2	F328 L403 N404 I416	F328-S414 WeakPolarHBondContact CE2-OG 3.47Å; F328-S414 WeakPolarHBondContact CZ-OG 3.23Å; L403-S414 PolarHBondContact O-N 2.8Å; L403-S414 VanDerWaalsContact O-N 3.1Å; N404-S414 CarbonylContact O-C 3.51Å; N404-S414 WeakPolarHBondContact O-CA 3.44Å; N404-S414 PolarHBondContact O-N 3.28Å; S414-I416 PolarHBondContact O-N 3.36Å
415	G	89.2	Confident	88.7	Confident	19 Å²	19	58.6 Å²	58.6	20%	0.196	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	68.1	15.1	-176.8	0	0	0	0	0	114.5	N404 T411 L413	N404-G415 PolarHBondContact O-N 2.87Å; T411-G415 VanDerWaalsContact CG2-O 3.28Å; T411-G415 WeakPolarHBondContact CG2-O 3.46Å; L413-G415 PolarHBondContact O-N 3.23Å
416	I	90.9	Very high	88.8	Confident	56 Å²	56	54.3 Å²	54.3	29%	0.287	32%	0.319	S	S	.	.			trans	-73.2	133.9	-179.7	-59.5	-62.6	0	0	0	110.3	L301 F325 T411 S412 L413 S414 Q418	L301-I416 HydrophobicContact CD1-CG2 3.73Å; L301-I416 HydrophobicContact CD2-CG2 4.34Å; F325-I416 HydrophobicContact CD1-CG1 4.43Å; F325-I416 HydrophobicContact CE1-CB 3.82Å; F325-I416 HydrophobicContact CE1-CG1 3.82Å; F325-I416 HydrophobicContact CE1-CG2 4.31Å; F325-I416 HydrophobicContact CZ-CB 4.4Å; T411-I416 CarbonylContact C-O 3.58Å; T411-I416 VanDerWaalsContact CA-O 3.26Å; T411-I416 WeakPolarHBondContact CA-O 3.21Å; S412-I416 PolarHBondContact N-O 2.92Å; S412-I416 PolarHBondContact OG-O 3.22Å; L413-I416 WeakPolarHBondContact O-CB 3.08Å; L413-I416 WeakPolarHBondContact O-CG1 3.36Å; L413-I416 PolarHBondContact O-N 2.79Å; S414-I416 PolarHBondContact O-N 3.36Å; I416-Q418 PolarHBondContact O-N 3.19Å
417	Y	90.7	Very high	89.2	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.035	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-52.4	134.1	175.8	174.8	-104.9	0	0	0	112	V287 F289 Q294 A298 L301 Y321 Q410 P419	V287-Y417 WeakPolarHBondContact CG1-OH 3.23Å; F289-Y417 HydrophobicContact CE1-CE1 4.39Å; Q294-Y417 HydrophobicContact CG-CD2 3.78Å; Q294-Y417 HydrophobicContact CG-CE2 3.91Å; Q294-Y417 HydrophobicContact CG-CG 4.45Å; A298-Y417 HydrophobicContact CB-CD1 3.67Å; A298-Y417 HydrophobicContact CB-CE1 3.5Å; L301-Y417 HydrophobicContact CD1-CD1 4.32Å; L301-Y417 WeakPolarHBondContact CD1-O 3.38Å; Y321-Y417 WeakPolarHBondContact CE2-O 3.17Å; Y321-Y417 PolarHBondContact OH-O 2.83Å; Q410-Y417 HydrophobicContact CB-CD2 4.34Å; Q410-Y417 HydrophobicContact CB-CE2 4.15Å; Q410-Y417 CarbonylContact O-C 3.54Å; Q410-Y417 WeakPolarHBondContact O-CA 3.36Å; Y417-P419 HydrophobicContact CE1-CG 3.69Å
418	Q	91.6	Very high	89.8	Confident	15 Å²	15	45.6 Å²	45.6	7%	0.07	27%	0.269	C	S	.	.			trans	-133.9	118	174.7	-173.7	-178.9	-70.1	0	0	108.8	Y281 Y321 Q410 S412 I416 F504	Y281-Q418 WeakPolarHBondContact OH-CG 3.36Å; Y321-Q418 HydrophobicContact CE1-CG 4.18Å; Q410-Q418 PolarHBondContact O-N 3.12Å; S412-Q418 VanDerWaalsContact CB-OE1 3.25Å; I416-Q418 PolarHBondContact O-N 3.19Å; Q418-F504 PolarHBondContact NE2-O 3.1Å
419	P	89.5	Confident	90.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.032	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-52.5	152.9	170.1	-25.7	32.3	0	0	0	112.5	Y281 V283 Y321 Y417 I421	Y281-P419 HydrophobicContact CE2-CB 4.29Å; Y281-P419 WeakPolarHBondContact OH-CB 3.17Å; Y281-P419 VanDerWaalsContact OH-CD 3.3Å; Y281-P419 WeakPolarHBondContact OH-CD 3.49Å; Y281-P419 PolarHBondContact OH-O 3.42Å; V283-P419 HydrophobicContact CG2-CB 4.46Å; V283-P419 HydrophobicContact CG2-CG 4.37Å; Y321-P419 HydrophobicContact CD2-CG 3.6Å; Y321-P419 HydrophobicContact CE2-CG 4.16Å; Y321-P419 HydrophobicContact CG-CG 3.85Å; Y417-P419 HydrophobicContact CE1-CG 3.69Å; P419-I421 PolarHBondContact O-N 2.69Å
420	A	87.2	Confident	91.2	Very high	91 Å²	91	35.7 Å²	35.7	75%	0.752	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-64.1	129.9	175.7	0	0	0	0	0	110.3
421	I	90.4	Very high	91.5	Very high	20 Å²	20	32 Å²	32	10%	0.103	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-93.9	125	174.1	-59.4	172.1	0	0	0	108	I279 Y281 P419 Y423 F428 F506	I279-I421 HydrophobicContact CD1-CD1 4.45Å; Y281-I421 HydrophobicContact CD1-CD1 4.43Å; Y281-I421 HydrophobicContact CE1-CD1 3.89Å; Y281-I421 HydrophobicContact CE1-CG1 3.96Å; Y281-I421 HydrophobicContact CE2-CG1 4.01Å; P419-I421 PolarHBondContact O-N 2.69Å; I421-Y423 VanDerWaalsContact C-N 3.32Å; I421-Y423 HydrophobicContact CB-CD1 4.27Å; I421-Y423 HydrophobicContact CB-CE1 3.84Å; I421-Y423 HydrophobicContact CB-CE2 4.28Å; I421-Y423 HydrophobicContact CD1-CE1 4.12Å; I421-Y423 HydrophobicContact CG2-CD1 3.7Å; I421-Y423 HydrophobicContact CG2-CE1 3.63Å; I421-Y423 HydrophobicContact CG2-CG 4.29Å; I421-Y423 PolarHBondContact O-N 2.91Å; I421-F428 HydrophobicContact CD1-CZ 4Å; I421-F428 HydrophobicContact CG2-CE2 3.8Å; I421-F428 HydrophobicContact CG2-CZ 4.13Å; I421-F506 HydrophobicContact CD1-CE2 4.02Å; I421-F506 HydrophobicContact CD1-CZ 4.17Å
422	D	89.9	Confident	91.5	Very high	87 Å²	87	32.2 Å²	32.2	47%	0.465	20%	0.196	S	C	.	.			trans	-75.2	87.9	167.3	-175.7	-8.3	0	0	0	109.3	S424 N425 S426	D422-S424 PolarHBondContact O-N 3.34Å; D422-S424 WeakPolarHBondContact OD1-CB 3.22Å; D422-S424 PolarHBondContact OD1-N 2.91Å; D422-S424 PolarHBondContact OD1-OG 3.06Å; D422-N425 CarbonylContact O-C 3.54Å; D422-N425 VanDerWaalsContact O-C 3.32Å; D422-N425 PolarHBondContact O-N 2.95Å; D422-N425 VanDerWaalsContact O-N 3.15Å; D422-N425 PolarHBondContact OD1-N 3.42Å; D422-N425 VanDerWaalsContact OD1-N 3.15Å; D422-N425 WeakPolarHBondContact OD2-CB 3.45Å; D422-S426 WeakPolarHBondContact O-CB 3.34Å; D422-S426 PolarHBondContact O-N 3.12Å; D422-S426 VanDerWaalsContact O-N 3.11Å; D422-S426 PolarHBondContact O-OG 3.21Å
423	Y	91.1	Very high	91.6	Very high	57 Å²	57	32.8 Å²	32.8	22%	0.224	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.5	179.8	-65.2	-64.4	0	0	0	113.5	I421 S426 F504 S505 F506 P507 Y510	I421-Y423 VanDerWaalsContact C-N 3.32Å; I421-Y423 HydrophobicContact CB-CD1 4.27Å; I421-Y423 HydrophobicContact CB-CE1 3.84Å; I421-Y423 HydrophobicContact CB-CE2 4.28Å; I421-Y423 HydrophobicContact CD1-CE1 4.12Å; I421-Y423 HydrophobicContact CG2-CD1 3.7Å; I421-Y423 HydrophobicContact CG2-CE1 3.63Å; I421-Y423 HydrophobicContact CG2-CG 4.29Å; I421-Y423 PolarHBondContact O-N 2.91Å; Y423-S426 WeakPolarHBondContact CA-OG 3.4Å; Y423-F504 PolarHBondContact OH-O 3.06Å; Y423-S505 VanDerWaalsContact OH-C 3.31Å; Y423-S505 PolarHBondContact OH-O 3.15Å; Y423-F506 HydrophobicContact CD1-CD1 4.26Å; Y423-F506 HydrophobicContact CD1-CE1 4.45Å; Y423-F506 HydrophobicContact CE1-CB 4.44Å; Y423-F506 AromaticContact CE1-CD1 3.78Å; Y423-F506 HydrophobicContact CE1-CD1 3.78Å; Y423-F506 HydrophobicContact CE1-CD2 4.15Å; Y423-F506 AromaticContact CE1-CE1 3.99Å; Y423-F506 HydrophobicContact CE1-CE1 3.99Å; Y423-F506 HydrophobicContact CE1-CE2 4.34Å; Y423-F506 AromaticContact CE1-CG 3.87Å; Y423-F506 HydrophobicContact CE1-CG 3.87Å; Y423-F506 HydrophobicContact CE1-CZ 4.27Å; Y423-P507 HydrophobicContact CD1-CG 4.41Å; Y423-P507 HydrophobicContact CD2-CG 3.82Å; Y423-P507 HydrophobicContact CE2-CG 4.19Å; Y423-P507 HydrophobicContact CG-CG 3.93Å; Y423-Y510 HydrophobicContact CD1-CD2 4.01Å; Y423-Y510 AromaticContact CD1-CE2 4Å; Y423-Y510 HydrophobicContact CD1-CE2 4Å; Y423-Y510 HydrophobicContact CG-CD2 4.49Å; Y423-Y510 WeakPolarHBondContact O-CE2 3.26Å
424	S	89.8	Confident	91.7	Very high	103 Å²	103	32.8 Å²	32.8	72%	0.72	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-31.6	177.1	76.4	0	0	0	0	112	D422	D422-S424 PolarHBondContact O-N 3.34Å; D422-S424 WeakPolarHBondContact OD1-CB 3.22Å; D422-S424 PolarHBondContact OD1-N 2.91Å; D422-S424 PolarHBondContact OD1-OG 3.06Å
425	N	89.1	Confident	91.8	Very high	64 Å²	64	32.3 Å²	32.3	34%	0.342	19%	0.19	S	C	.	.	S	Bend	trans	-123.8	45.2	-177.7	-168.3	23.6	0	0	0	112.4	R265 D422	R265-N425 WeakPolarHBondContact CD-O 3.41Å; R265-N425 WeakPolarHBondContact CD-OD1 3.48Å; R265-N425 PolarHBondContact NH1-OD1 2.93Å; D422-N425 CarbonylContact O-C 3.54Å; D422-N425 VanDerWaalsContact O-C 3.32Å; D422-N425 PolarHBondContact O-N 2.95Å; D422-N425 VanDerWaalsContact O-N 3.15Å; D422-N425 PolarHBondContact OD1-N 3.42Å; D422-N425 VanDerWaalsContact OD1-N 3.15Å; D422-N425 WeakPolarHBondContact OD2-CB 3.45Å
426	S	92.3	Very high	92	Very high	13 Å²	13	33.9 Å²	33.9	9%	0.091	19%	0.19	C	C	.	.			trans	-135	160.1	174.4	55.5	0	0	0	0	111.7	D422 Y423 Y510 N512	D422-S426 WeakPolarHBondContact O-CB 3.34Å; D422-S426 PolarHBondContact O-N 3.12Å; D422-S426 VanDerWaalsContact O-N 3.11Å; D422-S426 PolarHBondContact O-OG 3.21Å; Y423-S426 WeakPolarHBondContact CA-OG 3.4Å; S426-Y510 VanDerWaalsContact C-OH 3.25Å; S426-Y510 PolarHBondContact O-OH 2.92Å; S426-Y510 PolarHBondContact OG-OH 3.01Å; S426-N512 VanDerWaalsContact O-CB 3.27Å; S426-N512 WeakPolarHBondContact O-CB 3.34Å; S426-N512 PolarHBondContact O-ND2 3.5Å
427	Q	94.7	Very high	92.3	Very high	40 Å²	40	31.2 Å²	31.2	19%	0.187	18%	0.176	C	C	.	.			trans	-137	138.6	171.3	-177.9	176.4	30.8	0	0	108.3	A267 G268 Y429 Y510 N512	A267-Q427 CarbonylContact C-O 3.54Å; A267-Q427 WeakPolarHBondContact CA-O 3.22Å; G268-Q427 PolarHBondContact N-O 3.34Å; Q427-Y429 HydrophobicContact CG-CE2 4.13Å; Q427-Y510 WeakPolarHBondContact CA-OH 3.4Å; Q427-Y510 PolarHBondContact N-OH 3.23Å; Q427-N512 WeakPolarHBondContact CA-O 3.46Å; Q427-N512 HydrophobicContact CB-CB 4.44Å
428	F	96.5	Very high	92.6	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.7	178.4	-79.7	-100.8	0	0	0	111.6	G268 L270 I279 Y281 I421 F506 Y510 N512 L513 K514	G268-F428 CarbonylContact O-C 3.54Å; G268-F428 VanDerWaalsContact O-CA 3.31Å; G268-F428 WeakPolarHBondContact O-CA 3.14Å; L270-F428 HydrophobicContact CD1-CD1 4.49Å; L270-F428 HydrophobicContact CG-CD1 4.1Å; I279-F428 HydrophobicContact CG1-CE1 4.48Å; Y281-F428 AromaticContact CD1-CE1 3.83Å; Y281-F428 HydrophobicContact CD1-CE1 3.83Å; Y281-F428 AromaticContact CD1-CZ 3.78Å; Y281-F428 HydrophobicContact CD1-CZ 3.78Å; Y281-F428 HydrophobicContact CG-CE1 4.17Å; Y281-F428 AromaticContact CG-CZ 3.86Å; Y281-F428 HydrophobicContact CG-CZ 3.86Å; I421-F428 HydrophobicContact CD1-CZ 4Å; I421-F428 HydrophobicContact CG2-CE2 3.8Å; I421-F428 HydrophobicContact CG2-CZ 4.13Å; F428-F506 HydrophobicContact CB-CE1 4.33Å; F428-F506 HydrophobicContact CD1-CE1 4.41Å; F428-F506 AromaticContact CD1-CZ 3.85Å; F428-F506 HydrophobicContact CD1-CZ 3.85Å; F428-F506 AromaticContact CD2-CE1 3.7Å; F428-F506 HydrophobicContact CD2-CE1 3.7Å; F428-F506 AromaticContact CD2-CZ 3.79Å; F428-F506 HydrophobicContact CD2-CZ 3.79Å; F428-F506 AromaticContact CE1-CZ 3.88Å; F428-F506 HydrophobicContact CE1-CZ 3.88Å; F428-F506 HydrophobicContact CE2-CE1 4.04Å; F428-F506 AromaticContact CE2-CZ 3.83Å; F428-F506 HydrophobicContact CE2-CZ 3.83Å; F428-F506 AromaticContact CG-CE1 3.9Å; F428-F506 HydrophobicContact CG-CE1 3.9Å; F428-F506 AromaticContact CG-CZ 3.8Å; F428-F506 HydrophobicContact CG-CZ 3.8Å; F428-F506 AromaticContact CZ-CZ 3.87Å; F428-F506 HydrophobicContact CZ-CZ 3.87Å; F428-Y510 WeakPolarHBondContact CD2-OH 3.32Å; F428-N512 PolarHBondContact N-O 2.85Å; F428-L513 HydrophobicContact CB-CD1 3.91Å; F428-L513 WeakPolarHBondContact O-CA 3.4Å; F428-K514 PolarHBondContact O-N 3.37Å
429	Y	95.6	Very high	92.7	Very high	11 Å²	11	31.6 Å²	31.6	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	170.5	-79.9	-104.4	0	0	0	110.7	I230 L234 A267 G268 V269 L270 Q427 K514 A516 V519	I230-Y429 HydrophobicContact CD1-CD1 3.89Å; I230-Y429 HydrophobicContact CD1-CD2 4.17Å; I230-Y429 HydrophobicContact CD1-CE1 4.18Å; I230-Y429 HydrophobicContact CD1-CE2 4.46Å; I230-Y429 HydrophobicContact CD1-CG 3.89Å; I230-Y429 HydrophobicContact CG1-CD1 4.43Å; I230-Y429 HydrophobicContact CG1-CD2 3.94Å; I230-Y429 HydrophobicContact CG1-CE2 4.5Å; I230-Y429 HydrophobicContact CG1-CG 3.91Å; L234-Y429 HydrophobicContact CD1-CD2 4.31Å; L234-Y429 HydrophobicContact CD1-CE2 3.68Å; A267-Y429 HydrophobicContact CB-CD2 3.93Å; A267-Y429 HydrophobicContact CB-CE2 4.15Å; G268-Y429 PolarHBondContact O-N 2.85Å; V269-Y429 WeakPolarHBondContact CA-O 3.48Å; L270-Y429 PolarHBondContact N-O 2.85Å; Q427-Y429 HydrophobicContact CG-CE2 4.13Å; Y429-K514 CarbonylContact C-O 3.6Å; Y429-K514 VanDerWaalsContact CA-O 3.24Å; Y429-K514 WeakPolarHBondContact CA-O 3.23Å; Y429-K514 HydrophobicContact CD1-CB 4.21Å; Y429-K514 HydrophobicContact CD1-CG 4.44Å; Y429-K514 HydrophobicContact CE1-CB 4.04Å; Y429-K514 HydrophobicContact CE1-CD 3.81Å; Y429-K514 HydrophobicContact CE1-CG 4.07Å; Y429-A516 HydrophobicContact CD1-CB 4.49Å; Y429-V519 HydrophobicContact CD1-CG2 4.08Å; Y429-V519 HydrophobicContact CE1-CG1 4.48Å; Y429-V519 HydrophobicContact CE1-CG2 3.97Å
430	G	95	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.1	177.3	0	0	0	0	0	111.9	L270 K514 T515 A516	L270-G430 CarbonylContact O-C 3.53Å; L270-G430 VanDerWaalsContact O-CA 3.3Å; L270-G430 WeakPolarHBondContact O-CA 3.42Å; G430-K514 PolarHBondContact N-O 3.21Å; G430-T515 VanDerWaalsContact O-CA 3.3Å; G430-T515 WeakPolarHBondContact O-CA 3.46Å; G430-A516 PolarHBondContact O-N 3.01Å
431	F	91.1	Very high	93.5	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.053	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	172.6	178.8	-57.6	-76.9	0	0	0	112.5	I230 V269 L270 D271 E433 F434 A516 V524	I230-F431 HydrophobicContact CB-CZ 4.26Å; I230-F431 HydrophobicContact CD1-CZ 4.08Å; I230-F431 HydrophobicContact CG1-CZ 4.23Å; V269-F431 HydrophobicContact CB-CE2 4.38Å; V269-F431 HydrophobicContact CG1-CD2 3.58Å; V269-F431 HydrophobicContact CG1-CE2 3.6Å; V269-F431 HydrophobicContact CG2-CE2 4.04Å; L270-F431 PolarHBondContact O-N 2.99Å; D271-F431 HydrophobicContact CB-CB 4.43Å; F431-E433 PolarHBondContact O-N 3.4Å; F431-F434 WeakPolarHBondContact O-CB 3.46Å; F431-F434 WeakPolarHBondContact O-CD2 3.34Å; F431-F434 PolarHBondContact O-N 3.49Å; F431-F434 VanDerWaalsContact O-N 3.1Å; F431-A516 WeakPolarHBondContact CD1-O 3.42Å; F431-V524 HydrophobicContact CE1-CB 3.72Å; F431-V524 HydrophobicContact CE1-CG1 3.85Å; F431-V524 HydrophobicContact CZ-CB 4.1Å; F431-V524 HydrophobicContact CZ-CG1 3.7Å
432	S	89.4	Confident	93.8	Very high	22 Å²	22	28 Å²	28	15%	0.154	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	-121.8	177.9	-57.6	0	0	0	0	111.7	D271 M272 F434 Y435 Y436	D271-S432 WeakPolarHBondContact OD1-CB 3.44Å; D271-S432 PolarHBondContact OD1-OG 3.11Å; M272-S432 WeakPolarHBondContact O-CB 3.27Å; S432-F434 PolarHBondContact O-N 3.37Å; S432-F434 VanDerWaalsContact O-N 3.12Å; S432-Y435 WeakPolarHBondContact O-CA 3.27Å; S432-Y435 WeakPolarHBondContact O-CB 3.49Å; S432-Y435 PolarHBondContact O-N 3.48Å; S432-Y436 VanDerWaalsContact C-CE2 3.48Å; S432-Y436 VanDerWaalsContact CA-CE2 3.49Å; S432-Y436 WeakPolarHBondContact O-CD2 3.42Å; S432-Y436 VanDerWaalsContact O-CG 3.31Å; S432-Y436 PolarHBondContact O-N 3.11Å
433	E	94	Very high	94.1	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-24	-177.6	-66.5	-66.5	165.4	0	0	113.5	M272 F431 Y435 C437 R485 K492	M272-E433 HydrophobicContact CB-CB 3.91Å; M272-E433 HydrophobicContact CG-CB 3.67Å; M272-E433 HydrophobicContact CG-CG 4.05Å; M272-E433 VanDerWaalsContact O-CB 3.29Å; M272-E433 WeakPolarHBondContact O-CB 3.17Å; M272-E433 WeakPolarHBondContact O-CG 3.36Å; M272-E433 PolarHBondContact O-N 3.22Å; M272-E433 HydrophobicContact SD-CB 3.77Å; M272-E433 HydrophobicContact SD-CG 4.4Å; F431-E433 PolarHBondContact O-N 3.4Å; E433-Y435 VanDerWaalsContact C-N 3.28Å; E433-Y435 PolarHBondContact O-N 3.1Å; E433-C437 WeakPolarHBondContact O-CB 3.32Å; E433-C437 PolarHBondContact O-N 3.4Å; E433-C437 PolarHBondContact O-SG 2.92Å; E433-C437 PolarHBondContact OE2-SG 2.99Å; E433-R485 VanDerWaalsContact CD-NH2 3.28Å; E433-R485 IonicContact OE1-NH2 3.39Å; E433-R485 PolarHBondContact OE1-NH2 3.05Å; E433-R485 VanDerWaalsContact OE1-NH2 3.1Å; E433-R485 IonicContact OE2-CZ 3.09Å; E433-R485 VanDerWaalsContact OE2-CZ 3.23Å; E433-R485 IonicContact OE2-NH1 3.02Å; E433-R485 PolarHBondContact OE2-NH1 2.82Å; E433-R485 IonicContact OE2-NH2 3.23Å; E433-R485 PolarHBondContact OE2-NH2 3.05Å; E433-K492 IonicContact OE1-NZ 2.65Å; E433-K492 PolarHBondContact OE1-NZ 3.22Å; E433-K492 WeakPolarHBondContact OE2-CD 3.31Å; E433-K492 IonicContact OE2-NZ 3.23Å
434	F	95.8	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-39	171	-73.5	-77.3	0	0	0	112.3	L270 M272 F431 S432 M438 M496 L500 T515	L270-F434 HydrophobicContact CB-CD2 3.98Å; L270-F434 HydrophobicContact CB-CE2 3.54Å; L270-F434 HydrophobicContact CB-CZ 3.87Å; L270-F434 HydrophobicContact CD1-CE1 4.38Å; L270-F434 HydrophobicContact CD1-CZ 4.22Å; M272-F434 HydrophobicContact CB-CD2 3.81Å; M272-F434 HydrophobicContact CB-CE2 3.64Å; M272-F434 HydrophobicContact CB-CZ 4.49Å; M272-F434 HydrophobicContact CE-CE2 4.49Å; M272-F434 HydrophobicContact CE-CZ 4.3Å; F431-F434 WeakPolarHBondContact O-CB 3.46Å; F431-F434 WeakPolarHBondContact O-CD2 3.34Å; F431-F434 PolarHBondContact O-N 3.49Å; F431-F434 VanDerWaalsContact O-N 3.1Å; S432-F434 PolarHBondContact O-N 3.37Å; S432-F434 VanDerWaalsContact O-N 3.12Å; F434-M438 WeakPolarHBondContact O-CG 3.37Å; F434-M496 HydrophobicContact CB-SD 4.46Å; F434-M496 HydrophobicContact CD1-CG 3.53Å; F434-M496 HydrophobicContact CD1-SD 3.91Å; F434-M496 HydrophobicContact CE1-CG 3.74Å; F434-M496 HydrophobicContact CG-CG 4.29Å; F434-M496 HydrophobicContact CG-SD 4.5Å; F434-L500 HydrophobicContact CE1-CB 4.35Å; F434-L500 HydrophobicContact CE1-CD1 4.46Å; F434-T515 HydrophobicContact CB-CG2 4.09Å; F434-T515 WeakPolarHBondContact O-CG2 3.47Å
435	Y	94.1	Very high	94.2	Very high	41 Å²	41	25.9 Å²	25.9	16%	0.161	13%	0.127	C	C	.	.	H	α-helix	trans	-79.4	-50.3	174.5	176.6	-96.4	0	0	0	111.2	S432 E433 C437 M438 E439 A516 L517	S432-Y435 WeakPolarHBondContact O-CA 3.27Å; S432-Y435 WeakPolarHBondContact O-CB 3.49Å; S432-Y435 PolarHBondContact O-N 3.48Å; E433-Y435 VanDerWaalsContact C-N 3.28Å; E433-Y435 PolarHBondContact O-N 3.1Å; Y435-C437 VanDerWaalsContact C-N 3.32Å; Y435-C437 PolarHBondContact O-N 2.95Å; Y435-M438 PolarHBondContact O-N 3.3Å; Y435-E439 HydrophobicContact CD1-CB 4.25Å; Y435-E439 HydrophobicContact CD2-CB 4.29Å; Y435-E439 HydrophobicContact CE1-CB 3.88Å; Y435-E439 HydrophobicContact CE1-CG 3.97Å; Y435-E439 HydrophobicContact CE2-CB 3.97Å; Y435-E439 HydrophobicContact CE2-CG 4.09Å; Y435-E439 HydrophobicContact CG-CB 4.47Å; Y435-E439 WeakPolarHBondContact O-CB 3.25Å; Y435-E439 PolarHBondContact O-N 3.08Å; Y435-A516 VanDerWaalsContact CD2-C 3.47Å; Y435-A516 VanDerWaalsContact CD2-CA 3.48Å; Y435-L517 HydrophobicContact CD1-CB 3.71Å; Y435-L517 HydrophobicContact CD2-CB 4.27Å; Y435-L517 VanDerWaalsContact CD2-N 3.28Å; Y435-L517 HydrophobicContact CE1-CB 3.51Å; Y435-L517 HydrophobicContact CE1-CD2 4.14Å; Y435-L517 HydrophobicContact CE1-CG 4.39Å; Y435-L517 HydrophobicContact CE2-CB 4.06Å; Y435-L517 HydrophobicContact CG-CB 4.06Å
436	Y	93.6	Very high	94.4	Very high	52 Å²	52	23.6 Å²	23.6	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-37.9	-173.6	-54.7	-46.4	0	0	0	112.8	S432 M438 D440 R485 L517	S432-Y436 VanDerWaalsContact C-CE2 3.48Å; S432-Y436 VanDerWaalsContact CA-CE2 3.49Å; S432-Y436 WeakPolarHBondContact O-CD2 3.42Å; S432-Y436 VanDerWaalsContact O-CG 3.31Å; S432-Y436 PolarHBondContact O-N 3.11Å; Y436-M438 PolarHBondContact O-N 3.13Å; Y436-D440 VanDerWaalsContact CA-OD1 3.27Å; Y436-D440 WeakPolarHBondContact CA-OD1 3.34Å; Y436-D440 WeakPolarHBondContact O-CB 3.24Å; Y436-D440 VanDerWaalsContact O-CG 3.3Å; Y436-D440 PolarHBondContact O-N 3.14Å; Y436-D440 VanDerWaalsContact O-N 3.17Å; Y436-R485 VanDerWaalsContact CB-CZ 3.5Å; Y436-L517 HydrophobicContact CE1-CD1 4.23Å
437	C	96.8	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-22.3	176.4	-65.8	0	0	0	0	112.7	E433 Y435 L442 Q489 M496	E433-C437 WeakPolarHBondContact O-CB 3.32Å; E433-C437 PolarHBondContact O-N 3.4Å; E433-C437 PolarHBondContact O-SG 2.92Å; E433-C437 PolarHBondContact OE2-SG 2.99Å; Y435-C437 VanDerWaalsContact C-N 3.32Å; Y435-C437 PolarHBondContact O-N 2.95Å; C437-L442 VanDerWaalsContact O-CD1 3.26Å; C437-L442 WeakPolarHBondContact O-CD1 3.44Å; C437-Q489 PolarHBondContact O-NE2 3.01Å; C437-M496 HydrophobicContact CB-SD 3.74Å
438	M	96.3	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-94.5	-34.3	177.6	-69.4	-172.6	75	0	0	113	F434 Y435 Y436 L442 R443 M444 Y448 Y453 M496 T515	F434-M438 WeakPolarHBondContact O-CG 3.37Å; Y435-M438 PolarHBondContact O-N 3.3Å; Y436-M438 PolarHBondContact O-N 3.13Å; M438-L442 CarbonylContact O-C 3.49Å; M438-L442 WeakPolarHBondContact O-CB 3.21Å; M438-R443 PolarHBondContact O-N 3.45Å; M438-R443 VanDerWaalsContact O-N 3.17Å; M438-M444 HydrophobicContact CB-CG 4.34Å; M438-M444 HydrophobicContact CE-CE 3.84Å; M438-M444 HydrophobicContact CE-CG 4.37Å; M438-M444 VanDerWaalsContact CE-O 3.24Å; M438-M444 WeakPolarHBondContact CE-O 3.1Å; M438-M444 VanDerWaalsContact O-CG 3.3Å; M438-M444 WeakPolarHBondContact O-CG 3.45Å; M438-M444 PolarHBondContact O-N 3.42Å; M438-Y448 HydrophobicContact CE-CD2 3.92Å; M438-Y448 HydrophobicContact SD-CD2 3.69Å; M438-Y448 HydrophobicContact SD-CE2 4.44Å; M438-Y453 HydrophobicContact CE-CD2 4.49Å; M438-Y453 HydrophobicContact CG-CD2 3.72Å; M438-Y453 HydrophobicContact CG-CE2 3.7Å; M438-M496 HydrophobicContact CG-CE 4.44Å; M438-T515 HydrophobicContact SD-CG2 3.34Å; M438-T515 WeakPolarHBondContact SD-CG2 3.49Å; M438-T515 PolarHBondContact SD-OG1 2.82Å
439	E	95.3	Very high	94.6	Very high	32 Å²	32	30.2 Å²	30.2	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-101.7	-43.5	-168	-177.7	62	-168.9	0	0	113.9	Y435 V441 R443 M444 G445	Y435-E439 HydrophobicContact CD1-CB 4.25Å; Y435-E439 HydrophobicContact CD2-CB 4.29Å; Y435-E439 HydrophobicContact CE1-CB 3.88Å; Y435-E439 HydrophobicContact CE1-CG 3.97Å; Y435-E439 HydrophobicContact CE2-CB 3.97Å; Y435-E439 HydrophobicContact CE2-CG 4.09Å; Y435-E439 HydrophobicContact CG-CB 4.47Å; Y435-E439 WeakPolarHBondContact O-CB 3.25Å; Y435-E439 PolarHBondContact O-N 3.08Å; E439-V441 VanDerWaalsContact C-N 3.31Å; E439-V441 PolarHBondContact O-N 3.22Å; E439-R443 WeakPolarHBondContact O-CA 3.44Å; E439-R443 WeakPolarHBondContact O-CD 3.4Å; E439-R443 PolarHBondContact O-N 2.69Å; E439-R443 PolarHBondContact O-NH1 3.25Å; E439-R443 IonicContact OE1-CZ 3.73Å; E439-R443 VanDerWaalsContact OE1-CZ 3.23Å; E439-R443 IonicContact OE1-NH1 2.65Å; E439-R443 PolarHBondContact OE1-NH1 2.79Å; E439-R443 IonicContact OE1-NH2 3.32Å; E439-R443 PolarHBondContact OE1-NH2 3.01Å; E439-M444 PolarHBondContact OE2-N 2.92Å; E439-G445 PolarHBondContact OE2-N 3.27Å
440	D	95.4	Very high	94.7	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-47.2	-166.5	-69.4	17	0	0	0	111.8	Y436 Y477 A478 H480 A481 R485	Y436-D440 VanDerWaalsContact CA-OD1 3.27Å; Y436-D440 WeakPolarHBondContact CA-OD1 3.34Å; Y436-D440 WeakPolarHBondContact O-CB 3.24Å; Y436-D440 VanDerWaalsContact O-CG 3.3Å; Y436-D440 PolarHBondContact O-N 3.14Å; Y436-D440 VanDerWaalsContact O-N 3.17Å; D440-Y477 WeakPolarHBondContact O-CB 3.1Å; D440-A478 WeakPolarHBondContact O-CB 3.47Å; D440-A478 PolarHBondContact O-N 3.04Å; D440-H480 IonicContact OD1-CD2 3.57Å; D440-H480 IonicContact OD1-CE1 3.75Å; D440-H480 IonicContact OD1-NE2 3.99Å; D440-H480 PolarHBondContact OD1-NE2 3.44Å; D440-H480 IonicContact OD2-CD2 3.33Å; D440-A481 HydrophobicContact CB-CB 4.04Å; D440-R485 HydrophobicContact CB-CG 3.74Å; D440-R485 WeakPolarHBondContact OD2-CD 3.39Å; D440-R485 WeakPolarHBondContact OD2-CG 3.34Å; D440-R485 IonicContact OD2-CZ 2.69Å; D440-R485 IonicContact OD2-NE 2.59Å; D440-R485 PolarHBondContact OD2-NE 2.77Å; D440-R485 IonicContact OD2-NH2 3.68Å
441	V	96.7	Very high	94.9	Very high	10 Å²	10	33.6 Å²	33.6	6%	0.061	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-27.1	-175.9	-58.5	0	0	0	0	114.2	E439 Y460 Y477 A481 R485 Q489	E439-V441 VanDerWaalsContact C-N 3.31Å; E439-V441 PolarHBondContact O-N 3.22Å; V441-Y460 HydrophobicContact CB-CD2 4.25Å; V441-Y460 HydrophobicContact CB-CE2 3.72Å; V441-Y460 HydrophobicContact CG1-CE2 4.3Å; V441-Y460 HydrophobicContact CG2-CD2 3.98Å; V441-Y460 HydrophobicContact CG2-CE2 3.63Å; V441-Y477 HydrophobicContact CB-CD1 3.71Å; V441-Y477 HydrophobicContact CB-CE1 3.87Å; V441-Y477 HydrophobicContact CB-CG 4.27Å; V441-Y477 HydrophobicContact CG1-CD1 3.83Å; V441-Y477 HydrophobicContact CG1-CD2 4.3Å; V441-Y477 HydrophobicContact CG1-CE1 4.23Å; V441-Y477 HydrophobicContact CG1-CG 3.85Å; V441-A481 HydrophobicContact CG1-CB 4.44Å; V441-R485 HydrophobicContact CG1-CG 4.07Å; V441-Q489 HydrophobicContact CG2-CB 4.13Å; V441-Q489 HydrophobicContact CG2-CG 3.4Å; V441-Q489 VanDerWaalsContact CG2-CG 3.4Å
442	L	97.2	Very high	95.2	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.131	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.8	176.4	-52.1	-174.5	0	0	0	112.7	C437 M438 M444 Y453 A456 A457 Y460	C437-L442 VanDerWaalsContact O-CD1 3.26Å; C437-L442 WeakPolarHBondContact O-CD1 3.44Å; M438-L442 CarbonylContact O-C 3.49Å; M438-L442 WeakPolarHBondContact O-CB 3.21Å; L442-M444 VanDerWaalsContact C-N 3.25Å; L442-M444 HydrophobicContact CB-CG 3.88Å; L442-M444 HydrophobicContact CB-SD 4.32Å; L442-M444 PolarHBondContact O-N 2.82Å; L442-Y453 HydrophobicContact CD1-CD2 4.27Å; L442-Y453 HydrophobicContact CD1-CE2 4.02Å; L442-A456 HydrophobicContact CB-CB 4.45Å; L442-A456 HydrophobicContact CD1-CB 4.17Å; L442-A456 HydrophobicContact CD2-CB 4.4Å; L442-A457 HydrophobicContact CD1-CB 4.22Å; L442-Y460 HydrophobicContact CD2-CD2 4.13Å; L442-Y460 HydrophobicContact CD2-CG 4Å
443	R	95.4	Very high	95.6	Very high	131 Å²	131	38.3 Å²	38.3	49%	0.494	20%	0.197	S	C	.	.			trans	50.8	41.2	175.6	-50.7	-64.1	-61.7	136.8	7.2	113.3	M438 E439	M438-R443 PolarHBondContact O-N 3.45Å; M438-R443 VanDerWaalsContact O-N 3.17Å; E439-R443 WeakPolarHBondContact O-CA 3.44Å; E439-R443 WeakPolarHBondContact O-CD 3.4Å; E439-R443 PolarHBondContact O-N 2.69Å; E439-R443 PolarHBondContact O-NH1 3.25Å; E439-R443 IonicContact OE1-CZ 3.73Å; E439-R443 VanDerWaalsContact OE1-CZ 3.23Å; E439-R443 IonicContact OE1-NH1 2.65Å; E439-R443 PolarHBondContact OE1-NH1 2.79Å; E439-R443 IonicContact OE1-NH2 3.32Å; E439-R443 PolarHBondContact OE1-NH2 3.01Å
444	M	94.4	Very high	95.8	Very high	42 Å²	42	38.7 Å²	38.7	21%	0.207	20%	0.202	C	C	.	.			trans	-135	28.9	-175.4	66.1	170.9	-65.2	0	0	113.5	M438 E439 L442 K452 Y453 A456	M438-M444 HydrophobicContact CB-CG 4.34Å; M438-M444 HydrophobicContact CE-CE 3.84Å; M438-M444 HydrophobicContact CE-CG 4.37Å; M438-M444 VanDerWaalsContact CE-O 3.24Å; M438-M444 WeakPolarHBondContact CE-O 3.1Å; M438-M444 VanDerWaalsContact O-CG 3.3Å; M438-M444 WeakPolarHBondContact O-CG 3.45Å; M438-M444 PolarHBondContact O-N 3.42Å; E439-M444 PolarHBondContact OE2-N 2.92Å; L442-M444 VanDerWaalsContact C-N 3.25Å; L442-M444 HydrophobicContact CB-CG 3.88Å; L442-M444 HydrophobicContact CB-SD 4.32Å; L442-M444 PolarHBondContact O-N 2.82Å; M444-K452 HydrophobicContact CE-CB 3.91Å; M444-Y453 HydrophobicContact SD-CD2 4.37Å; M444-A456 HydrophobicContact SD-CB 3.68Å
445	G	90.5	Very high	96	Very high	29 Å²	29	47.4 Å²	47.4	30%	0.299	24%	0.235	S	C	.	.			trans	-58.4	163.4	174.8	0	0	0	0	0	113.1	E439	E439-G445 PolarHBondContact OE2-N 3.27Å
446	G	91.4	Very high	96.2	Very high	16 Å²	16	47 Å²	47	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-132.2	-175.9	0	0	0	0	0	112	Y448 K514 T515	G446-Y448 PolarHBondContact O-N 2.87Å; G446-K514 CarbonylContact O-C 3.43Å; G446-K514 WeakPolarHBondContact O-CA 3.37Å; G446-T515 VanDerWaalsContact CA-O 3.29Å; G446-T515 WeakPolarHBondContact CA-O 3.4Å; G446-T515 PolarHBondContact N-O 2.97Å; G446-T515 VanDerWaalsContact N-O 3.1Å; G446-T515 PolarHBondContact N-OG1 2.84Å; G446-T515 PolarHBondContact O-N 2.68Å; G446-T515 PolarHBondContact O-OG1 2.89Å
447	D	94.9	Very high	96.4	Very high	120 Å²	120	44.5 Å²	44.5	64%	0.642	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	120.7	-173.3	-61.1	-37.2	0	0	0	111.6
448	Y	97.1	Very high	96.5	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.035	25%	0.25	C	S	.	.			trans	-72.8	136.6	-177.2	-179.6	-96.8	0	0	0	111.5	M438 G446 A450 Y453 M496 L500 H501 L513	M438-Y448 HydrophobicContact CE-CD2 3.92Å; M438-Y448 HydrophobicContact SD-CD2 3.69Å; M438-Y448 HydrophobicContact SD-CE2 4.44Å; G446-Y448 PolarHBondContact O-N 2.87Å; Y448-A450 HydrophobicContact CE1-CB 3.81Å; Y448-Y453 HydrophobicContact CE2-CD1 4.04Å; Y448-Y453 HydrophobicContact CE2-CD2 4.39Å; Y448-Y453 AromaticContact CE2-CG 3.85Å; Y448-Y453 HydrophobicContact CE2-CG 3.85Å; Y448-M496 HydrophobicContact CD2-CE 4.47Å; Y448-M496 HydrophobicContact CE2-CE 3.82Å; Y448-L500 HydrophobicContact CD1-CD2 4.25Å; Y448-L500 HydrophobicContact CE1-CD2 3.73Å; Y448-L500 HydrophobicContact CE2-CD2 4.23Å; Y448-H501 AromaticContact CE1-CE1 3.92Å; Y448-H501 AromaticContact CE1-NE2 3.48Å; Y448-H501 WeakPolarHBondContact CE1-NE2 3.34Å; Y448-H501 AromaticContact CZ-NE2 3.62Å; Y448-H501 PolarHBondContact OH-NE2 2.86Å; Y448-L513 WeakPolarHBondContact CB-O 3.32Å; Y448-L513 HydrophobicContact CD1-CD2 3.93Å; Y448-L513 HydrophobicContact CD2-CD2 4.32Å; Y448-L513 HydrophobicContact CG-CD2 3.76Å; Y448-L513 HydrophobicContact CG-CG 4.27Å; Y448-L513 PolarHBondContact N-O 3.1Å
449	N	97.7	Very high	96.6	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.353	27%	0.271	S	S	.	.			trans	-140.4	115.7	169.3	-178.6	-80.9	0	0	0	109.8	S451 K452 Y453	N449-S451 VanDerWaalsContact C-N 3.32Å; N449-S451 PolarHBondContact O-N 2.95Å; N449-S451 PolarHBondContact OD1-N 3.4Å; N449-K452 HydrophobicContact CB-CB 4.14Å; N449-K452 HydrophobicContact CB-CD 4.13Å; N449-K452 HydrophobicContact CB-CG 4.24Å; N449-K452 PolarHBondContact O-N 2.78Å; N449-K452 WeakPolarHBondContact OD1-CG 3.38Å; N449-K452 PolarHBondContact OD1-N 2.81Å; N449-Y453 VanDerWaalsContact O-CB 3.28Å; N449-Y453 WeakPolarHBondContact O-CB 3.35Å; N449-Y453 PolarHBondContact O-N 3.46Å
450	A	97.6	Very high	96.8	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-42.1	-171.4	0	0	0	0	0	112.8	Y448 Y453 A454 Y497 T508	Y448-A450 HydrophobicContact CE1-CB 3.81Å; A450-Y453 PolarHBondContact O-N 2.88Å; A450-A454 VanDerWaalsContact O-CB 3.28Å; A450-A454 WeakPolarHBondContact O-CB 3.24Å; A450-A454 PolarHBondContact O-N 3.09Å; A450-Y497 HydrophobicContact CB-CE2 4.25Å; A450-T508 WeakPolarHBondContact CB-O 3.35Å
451	S	97.6	Very high	96.9	Very high	81 Å²	81	50 Å²	50	57%	0.566	27%	0.265	S	S	*	.	H	α-helix	trans	-68.6	-42.4	-179.3	-53.4	0	0	0	0	112.8	N449 R455	N449-S451 VanDerWaalsContact C-N 3.32Å; N449-S451 PolarHBondContact O-N 2.95Å; N449-S451 PolarHBondContact OD1-N 3.4Å; S451-R455 WeakPolarHBondContact O-CB 3.35Å; S451-R455 PolarHBondContact O-N 3.03Å; S451-R455 VanDerWaalsContact O-N 3.17Å
452	K	97.9	Very high	97	Very high	133 Å²	133	52.6 Å²	52.6	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-64.9	-44.5	175.4	-70.7	-178.7	-178.9	-179.7	0	110.7	M444 N449 R455 A456	M444-K452 HydrophobicContact CE-CB 3.91Å; N449-K452 HydrophobicContact CB-CB 4.14Å; N449-K452 HydrophobicContact CB-CD 4.13Å; N449-K452 HydrophobicContact CB-CG 4.24Å; N449-K452 PolarHBondContact O-N 2.78Å; N449-K452 WeakPolarHBondContact OD1-CG 3.38Å; N449-K452 PolarHBondContact OD1-N 2.81Å; K452-R455 PolarHBondContact O-N 3.13Å; K452-A456 WeakPolarHBondContact O-CB 3.27Å; K452-A456 PolarHBondContact O-N 3.14Å
453	Y	98.3	Very high	97.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-51	-179	176.1	-99.6	0	0	0	111.9	M438 L442 M444 Y448 N449 A450 R455 A456 A457 S493 M496 Y497	M438-Y453 HydrophobicContact CE-CD2 4.49Å; M438-Y453 HydrophobicContact CG-CD2 3.72Å; M438-Y453 HydrophobicContact CG-CE2 3.7Å; L442-Y453 HydrophobicContact CD1-CD2 4.27Å; L442-Y453 HydrophobicContact CD1-CE2 4.02Å; M444-Y453 HydrophobicContact SD-CD2 4.37Å; Y448-Y453 HydrophobicContact CE2-CD1 4.04Å; Y448-Y453 HydrophobicContact CE2-CD2 4.39Å; Y448-Y453 AromaticContact CE2-CG 3.85Å; Y448-Y453 HydrophobicContact CE2-CG 3.85Å; N449-Y453 VanDerWaalsContact O-CB 3.28Å; N449-Y453 WeakPolarHBondContact O-CB 3.35Å; N449-Y453 PolarHBondContact O-N 3.46Å; A450-Y453 PolarHBondContact O-N 2.88Å; Y453-R455 VanDerWaalsContact C-N 3.29Å; Y453-R455 PolarHBondContact O-N 3.01Å; Y453-A456 PolarHBondContact O-N 3.26Å; Y453-A457 WeakPolarHBondContact O-CB 3.43Å; Y453-A457 PolarHBondContact O-N 2.82Å; Y453-S493 WeakPolarHBondContact OH-CA 3.5Å; Y453-S493 VanDerWaalsContact OH-CB 3.25Å; Y453-S493 WeakPolarHBondContact OH-CB 3.38Å; Y453-S493 PolarHBondContact OH-O 3.08Å; Y453-M496 HydrophobicContact CD1-CE 4.16Å; Y453-M496 HydrophobicContact CD2-CE 4.17Å; Y453-M496 HydrophobicContact CE1-CE 3.53Å; Y453-M496 HydrophobicContact CE2-CE 3.54Å; Y453-M496 HydrophobicContact CE2-SD 4.37Å; Y453-M496 HydrophobicContact CG-CE 4.42Å; Y453-M496 WeakPolarHBondContact OH-CE 3.41Å; Y453-Y497 AromaticContact CD1-CD2 3.93Å; Y453-Y497 HydrophobicContact CD1-CD2 3.93Å; Y453-Y497 HydrophobicContact CE1-CD2 4.11Å
454	A	98.3	Very high	97.2	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-39.4	177.8	0	0	0	0	0	112.1	F392 A450 K458 Y497	F392-A454 HydrophobicContact CE1-CB 3.95Å; A450-A454 VanDerWaalsContact O-CB 3.28Å; A450-A454 WeakPolarHBondContact O-CB 3.24Å; A450-A454 PolarHBondContact O-N 3.09Å; A454-K458 WeakPolarHBondContact O-CB 3.46Å; A454-K458 PolarHBondContact O-N 3.31Å; A454-Y497 HydrophobicContact CB-CE2 4.17Å
455	R	98.6	Very high	97.4	Very high	183 Å²	183	50.5 Å²	50.5	69%	0.691	28%	0.283	S	S	*	.	H	α-helix	trans	-65.2	-45.7	176.4	-172.4	-174.2	-59.1	152.6	2	112.2	S451 K452 Y453 K458 G459	S451-R455 WeakPolarHBondContact O-CB 3.35Å; S451-R455 PolarHBondContact O-N 3.03Å; S451-R455 VanDerWaalsContact O-N 3.17Å; K452-R455 PolarHBondContact O-N 3.13Å; Y453-R455 VanDerWaalsContact C-N 3.29Å; Y453-R455 PolarHBondContact O-N 3.01Å; R455-K458 PolarHBondContact O-N 3.13Å; R455-G459 PolarHBondContact O-N 2.93Å
456	A	98.6	Very high	97.8	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178.7	0	0	0	0	0	111.4	L442 M444 K452 Y453 G459 Y460	L442-A456 HydrophobicContact CB-CB 4.45Å; L442-A456 HydrophobicContact CD1-CB 4.17Å; L442-A456 HydrophobicContact CD2-CB 4.4Å; M444-A456 HydrophobicContact SD-CB 3.68Å; K452-A456 WeakPolarHBondContact O-CB 3.27Å; K452-A456 PolarHBondContact O-N 3.14Å; Y453-A456 PolarHBondContact O-N 3.26Å; A456-G459 PolarHBondContact O-N 3.41Å; A456-Y460 WeakPolarHBondContact O-CB 3.49Å; A456-Y460 PolarHBondContact O-N 2.89Å
457	A	98.6	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176.4	0	0	0	0	0	111.8	F392 L442 Y453 G459 Y460 C461	F392-A457 HydrophobicContact CD2-CB 3.76Å; F392-A457 HydrophobicContact CE1-CB 4.4Å; F392-A457 HydrophobicContact CE2-CB 3.47Å; F392-A457 VanDerWaalsContact CE2-CB 3.47Å; F392-A457 HydrophobicContact CG-CB 4.33Å; F392-A457 HydrophobicContact CZ-CB 3.81Å; L442-A457 HydrophobicContact CD1-CB 4.22Å; Y453-A457 WeakPolarHBondContact O-CB 3.43Å; Y453-A457 PolarHBondContact O-N 2.82Å; A457-G459 PolarHBondContact O-N 2.9Å; A457-Y460 PolarHBondContact O-N 2.98Å; A457-C461 PolarHBondContact O-N 2.6Å; A457-C461 PolarHBondContact O-SG 3.46Å
458	K	98.6	Very high	98.3	Very high	99 Å²	99	51.3 Å²	51.3	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-43.9	175.3	-174.2	169.3	-174.1	162.2	0	112.5	F392 D393 A454 R455 C461 A462	F392-K458 HydrophobicContact CB-CB 4.09Å; F392-K458 HydrophobicContact CB-CG 4.37Å; F392-K458 HydrophobicContact CD1-CB 4.24Å; F392-K458 HydrophobicContact CG-CB 4.39Å; D393-K458 WeakPolarHBondContact OD2-CE 3.25Å; D393-K458 IonicContact OD2-NZ 2.7Å; D393-K458 PolarHBondContact OD2-NZ 3.43Å; A454-K458 WeakPolarHBondContact O-CB 3.46Å; A454-K458 PolarHBondContact O-N 3.31Å; R455-K458 PolarHBondContact O-N 3.13Å; K458-C461 PolarHBondContact O-N 3.21Å; K458-A462 WeakPolarHBondContact O-CB 3.23Å; K458-A462 PolarHBondContact O-N 2.87Å; K458-A462 VanDerWaalsContact O-N 3.07Å
459	G	98.6	Very high	98.3	Very high	41 Å²	41	54.7 Å²	54.7	42%	0.423	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.7	0	0	0	0	0	113.1	R455 A456 A457 T463	R455-G459 PolarHBondContact O-N 2.93Å; A456-G459 PolarHBondContact O-N 3.41Å; A457-G459 PolarHBondContact O-N 2.9Å; G459-T463 PolarHBondContact O-N 3.09Å; G459-T463 PolarHBondContact O-OG1 2.88Å
460	Y	98.6	Very high	98.3	Very high	13 Å²	13	56.4 Å²	56.4	5%	0.051	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-47.8	174.3	179.7	-83.9	0	0	0	111.2	V441 L442 A456 A457 A462 T463 L468 Y477 L486 Q489	V441-Y460 HydrophobicContact CB-CD2 4.25Å; V441-Y460 HydrophobicContact CB-CE2 3.72Å; V441-Y460 HydrophobicContact CG1-CE2 4.3Å; V441-Y460 HydrophobicContact CG2-CD2 3.98Å; V441-Y460 HydrophobicContact CG2-CE2 3.63Å; L442-Y460 HydrophobicContact CD2-CD2 4.13Å; L442-Y460 HydrophobicContact CD2-CG 4Å; A456-Y460 WeakPolarHBondContact O-CB 3.49Å; A456-Y460 PolarHBondContact O-N 2.89Å; A457-Y460 PolarHBondContact O-N 2.98Å; Y460-A462 PolarHBondContact O-N 3.16Å; Y460-T463 VanDerWaalsContact O-CB 3.31Å; Y460-T463 WeakPolarHBondContact O-CB 3.32Å; Y460-T463 PolarHBondContact O-N 2.92Å; Y460-T463 VanDerWaalsContact O-N 3.15Å; Y460-L468 HydrophobicContact CD2-CD2 3.96Å; Y460-L468 HydrophobicContact CE1-CD1 4.05Å; Y460-L468 HydrophobicContact CE2-CD1 4.49Å; Y460-L468 HydrophobicContact CE2-CD2 3.65Å; Y460-Y477 HydrophobicContact CE2-CE1 4.38Å; Y460-L486 WeakPolarHBondContact OH-CA 3.34Å; Y460-L486 WeakPolarHBondContact OH-CD1 3.27Å; Y460-L486 PolarHBondContact OH-O 3.33Å; Y460-Q489 HydrophobicContact CD1-CB 4.17Å; Y460-Q489 HydrophobicContact CD1-CG 3.78Å; Y460-Q489 HydrophobicContact CE1-CB 3.51Å; Y460-Q489 HydrophobicContact CE1-CG 3.61Å; Y460-Q489 HydrophobicContact CG-CG 4.35Å
461	C	98.8	Very high	98.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-37.9	-175.9	-65.1	0	0	0	0	114.2	T371 G390 F392 A457 K458 T463 C490	T371-C461 PolarHBondContact N-O 3.25Å; T371-C461 VanDerWaalsContact N-O 3.14Å; T371-C461 PolarHBondContact OG1-O 2.99Å; T371-C461 VanDerWaalsContact OG1-O 3.1Å; G390-C461 WeakPolarHBondContact CA-O 3.45Å; G390-C461 CarbonylContact O-C 3.31Å; G390-C461 VanDerWaalsContact O-CB 3.24Å; G390-C461 WeakPolarHBondContact O-CB 3.29Å; F392-C461 HydrophobicContact CB-CB 4.44Å; A457-C461 PolarHBondContact O-N 2.6Å; A457-C461 PolarHBondContact O-SG 3.46Å; K458-C461 PolarHBondContact O-N 3.21Å; C461-T463 PolarHBondContact O-N 2.59Å; C461-C490 WeakPolarHBondContact CA-SG 3.33Å; C461-C490 HydrophobicContact CB-CB 4.12Å; C461-C490 WeakPolarHBondContact CB-SG 3.38Å; C461-C490 WeakPolarHBondContact SG-CA 3.37Å; C461-C490 WeakPolarHBondContact SG-CB 3.35Å; C461-C490 CovalentContact SG-SG 2.04Å; C461-C490 PolarHBondContact SG-SG 2.97Å
462	A	98.6	Very high	98.3	Very high	63 Å²	63	59.9 Å²	59.9	52%	0.521	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5.5	175.9	0	0	0	0	0	113.7	T371 G390 K458 Y460	T371-A462 WeakPolarHBondContact OG1-CA 3.14Å; G390-A462 PolarHBondContact O-N 3.34Å; K458-A462 WeakPolarHBondContact O-CB 3.23Å; K458-A462 PolarHBondContact O-N 2.87Å; K458-A462 VanDerWaalsContact O-N 3.07Å; Y460-A462 PolarHBondContact O-N 3.16Å
463	T	98.6	Very high	98.2	Very high	26 Å²	26	59.7 Å²	59.7	16%	0.16	30%	0.299	C	S	.	.	S	Bend	trans	-78.4	132.3	176	-59.6	0	0	0	0	109.7	G459 Y460 C461 W465 T467 L468	G459-T463 PolarHBondContact O-N 3.09Å; G459-T463 PolarHBondContact O-OG1 2.88Å; Y460-T463 VanDerWaalsContact O-CB 3.31Å; Y460-T463 WeakPolarHBondContact O-CB 3.32Å; Y460-T463 PolarHBondContact O-N 2.92Å; Y460-T463 VanDerWaalsContact O-N 3.15Å; C461-T463 PolarHBondContact O-N 2.59Å; T463-W465 PolarHBondContact O-N 3.13Å; T463-T467 HydrophobicContact CG2-CG2 3.94Å; T463-L468 HydrophobicContact CG2-CD2 3.77Å; T463-L468 HydrophobicContact CG2-CG 3.87Å
464	Q	98.6	Very high	98.1	Very high	111 Å²	111	63.9 Å²	63.9	52%	0.519	33%	0.328	S	S	.	.			trans	-55.7	137.5	176.4	-69	180	3.4	0	0	111.8	K466 T467 L468	Q464-K466 PolarHBondContact O-N 3.12Å; Q464-T467 WeakPolarHBondContact O-CB 3.19Å; Q464-T467 PolarHBondContact O-N 3.15Å; Q464-L468 PolarHBondContact O-N 2.86Å
465	W	98.4	Very high	98	Very high	18 Å²	18	65.8 Å²	65.8	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-55	-37.7	-178	178.9	-125.5	0	0	0	113.6	P370 T371 L373 T463 T467 L468 K469 F483 L486 K487	P370-W465 HydrophobicContact CB-CE3 3.97Å; P370-W465 HydrophobicContact CG-CE3 4.03Å; P370-W465 HydrophobicContact CG-CZ3 4.13Å; T371-W465 WeakPolarHBondContact O-CB 2.97Å; T371-W465 PolarHBondContact O-N 3Å; L373-W465 HydrophobicContact CB-CB 4.1Å; L373-W465 HydrophobicContact CB-CD2 4.12Å; L373-W465 HydrophobicContact CB-CE3 4.47Å; L373-W465 HydrophobicContact CB-CG 3.93Å; L373-W465 HydrophobicContact CD1-CD2 3.79Å; L373-W465 VanDerWaalsContact CD1-CE2 3.41Å; L373-W465 HydrophobicContact CD1-CE3 4.46Å; L373-W465 HydrophobicContact CD1-CG 4Å; L373-W465 HydrophobicContact CD1-CZ2 3.82Å; L373-W465 VanDerWaalsContact CD1-NE1 3.29Å; L373-W465 HydrophobicContact CG-CD2 4.42Å; T463-W465 PolarHBondContact O-N 3.13Å; W465-T467 PolarHBondContact O-N 3.3Å; W465-L468 HydrophobicContact CE3-CB 4.22Å; W465-L468 HydrophobicContact CE3-CD1 4.11Å; W465-L468 PolarHBondContact O-N 3.24Å; W465-K469 HydrophobicContact CD2-CG 4.38Å; W465-K469 VanDerWaalsContact CE2-CE 3.4Å; W465-K469 HydrophobicContact CZ2-CD 4.29Å; W465-K469 HydrophobicContact CZ2-CG 4.1Å; W465-K469 PolarHBondContact O-N 3.25Å; W465-F483 HydrophobicContact CH2-CE2 4.18Å; W465-F483 HydrophobicContact CH2-CZ 4.25Å; W465-F483 HydrophobicContact CZ2-CE1 4.46Å; W465-F483 AromaticContact CZ2-CE2 3.68Å; W465-F483 HydrophobicContact CZ2-CE2 3.68Å; W465-F483 AromaticContact CZ2-CZ 3.59Å; W465-F483 HydrophobicContact CZ2-CZ 3.59Å; W465-L486 HydrophobicContact CH2-CB 4.27Å; W465-L486 HydrophobicContact CH2-CD2 3.72Å; W465-L486 HydrophobicContact CH2-CG 3.94Å; W465-L486 HydrophobicContact CZ3-CB 4.43Å; W465-L486 HydrophobicContact CZ3-CD2 3.87Å; W465-L486 HydrophobicContact CZ3-CG 3.78Å; W465-K487 HydrophobicContact CH2-CB 4.12Å
466	K	98.3	Very high	97.8	Very high	141 Å²	141	61.7 Å²	61.7	61%	0.613	34%	0.341	S	S	*	.	H	α-helix	trans	-57.5	-47.8	174.9	-178.1	179.9	173.5	-176.1	0	111.7	Q464 K469 E470	Q464-K466 PolarHBondContact O-N 3.12Å; K466-K469 WeakPolarHBondContact O-CB 3.33Å; K466-K469 PolarHBondContact O-N 3.47Å; K466-E470 WeakPolarHBondContact CE-OE1 3.36Å; K466-E470 WeakPolarHBondContact O-CG 3.13Å; K466-E470 PolarHBondContact O-N 2.79Å
467	T	98.4	Very high	97.7	Very high	41 Å²	41	61.4 Å²	61.4	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-36.7	178.3	-55.9	0	0	0	0	111.9	T463 Q464 W465 K469 E470 R471	T463-T467 HydrophobicContact CG2-CG2 3.94Å; Q464-T467 WeakPolarHBondContact O-CB 3.19Å; Q464-T467 PolarHBondContact O-N 3.15Å; W465-T467 PolarHBondContact O-N 3.3Å; T467-K469 VanDerWaalsContact C-N 3.33Å; T467-E470 PolarHBondContact O-N 2.58Å; T467-R471 WeakPolarHBondContact O-CB 3.35Å; T467-R471 VanDerWaalsContact O-CG 3.27Å; T467-R471 WeakPolarHBondContact O-CG 3.44Å; T467-R471 PolarHBondContact O-N 3.05Å
468	L	98.3	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-41.4	174.6	-68.6	177.8	0	0	0	111.7	P370 Y460 T463 Q464 W465 R471 F472 Y477 L486	P370-L468 HydrophobicContact CB-CD1 3.66Å; P370-L468 HydrophobicContact CG-CD1 4.11Å; Y460-L468 HydrophobicContact CD2-CD2 3.96Å; Y460-L468 HydrophobicContact CE1-CD1 4.05Å; Y460-L468 HydrophobicContact CE2-CD1 4.49Å; Y460-L468 HydrophobicContact CE2-CD2 3.65Å; T463-L468 HydrophobicContact CG2-CD2 3.77Å; T463-L468 HydrophobicContact CG2-CG 3.87Å; Q464-L468 PolarHBondContact O-N 2.86Å; W465-L468 HydrophobicContact CE3-CB 4.22Å; W465-L468 HydrophobicContact CE3-CD1 4.11Å; W465-L468 PolarHBondContact O-N 3.24Å; L468-R471 PolarHBondContact O-N 3.11Å; L468-F472 WeakPolarHBondContact O-CB 3.29Å; L468-F472 PolarHBondContact O-N 3.44Å; L468-Y477 WeakPolarHBondContact CD2-OH 3.4Å; L468-L486 HydrophobicContact CB-CD1 4.36Å
469	K	97.8	Very high	96.8	Very high	79 Å²	79	63.4 Å²	63.4	34%	0.343	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-48.4	173.6	-79.5	177.4	159.7	175.7	0	112.5	W465 K466 T467 R471 F472 D473 L486	W465-K469 HydrophobicContact CD2-CG 4.38Å; W465-K469 VanDerWaalsContact CE2-CE 3.4Å; W465-K469 HydrophobicContact CZ2-CD 4.29Å; W465-K469 HydrophobicContact CZ2-CG 4.1Å; W465-K469 PolarHBondContact O-N 3.25Å; K466-K469 WeakPolarHBondContact O-CB 3.33Å; K466-K469 PolarHBondContact O-N 3.47Å; T467-K469 VanDerWaalsContact C-N 3.33Å; K469-R471 VanDerWaalsContact C-N 3.25Å; K469-R471 PolarHBondContact O-N 3.07Å; K469-F472 CarbonylContact O-C 3.55Å; K469-F472 WeakPolarHBondContact O-CA 3.46Å; K469-F472 WeakPolarHBondContact O-CB 3.34Å; K469-F472 PolarHBondContact O-N 2.94Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 2.8Å; K469-L486 HydrophobicContact CG-CD2 4.34Å
470	E	98.1	Very high	96.1	Very high	102 Å²	102	65.7 Å²	65.7	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-56.7	-41.2	177.4	-72.3	167.1	178.3	0	0	111.7	K466 T467 S474	K466-E470 WeakPolarHBondContact CE-OE1 3.36Å; K466-E470 WeakPolarHBondContact O-CG 3.13Å; K466-E470 PolarHBondContact O-N 2.79Å; T467-E470 PolarHBondContact O-N 2.58Å; E470-S474 WeakPolarHBondContact O-CB 3.34Å; E470-S474 PolarHBondContact O-N 3.09Å; E470-S474 PolarHBondContact O-OG 3.31Å
471	R	97.8	Very high	95.7	Very high	97 Å²	97	65.5 Å²	65.5	37%	0.366	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-41.3	174.5	-72.7	172.5	-177.7	171	5.5	112.4	T467 L468 K469 S474 G475 L476 Y477	T467-R471 WeakPolarHBondContact O-CB 3.35Å; T467-R471 VanDerWaalsContact O-CG 3.27Å; T467-R471 WeakPolarHBondContact O-CG 3.44Å; T467-R471 PolarHBondContact O-N 3.05Å; L468-R471 PolarHBondContact O-N 3.11Å; K469-R471 VanDerWaalsContact C-N 3.25Å; K469-R471 PolarHBondContact O-N 3.07Å; R471-S474 WeakPolarHBondContact CA-OG 3.31Å; R471-S474 PolarHBondContact O-N 3.2Å; R471-S474 PolarHBondContact O-OG 3.39Å; R471-G475 PolarHBondContact O-N 3.11Å; R471-L476 HydrophobicContact CB-CB 4.18Å; R471-L476 HydrophobicContact CB-CD2 3.78Å; R471-L476 HydrophobicContact CG-CD2 3.69Å; R471-L476 VanDerWaalsContact O-CB 3.27Å; R471-L476 WeakPolarHBondContact O-CB 3.28Å; R471-L476 PolarHBondContact O-N 3.43Å; R471-Y477 HydrophobicContact CB-CE2 3.91Å
472	F	96.8	Very high	95.4	Very high	60 Å²	60	68.7 Å²	68.7	26%	0.263	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-49.6	175.9	179.9	-92.8	0	0	0	111.4	L468 K469 S474 G475 Y477 A481 L486	L468-F472 WeakPolarHBondContact O-CB 3.29Å; L468-F472 PolarHBondContact O-N 3.44Å; K469-F472 CarbonylContact O-C 3.55Å; K469-F472 WeakPolarHBondContact O-CA 3.46Å; K469-F472 WeakPolarHBondContact O-CB 3.34Å; K469-F472 PolarHBondContact O-N 2.94Å; F472-S474 PolarHBondContact O-N 3.13Å; F472-G475 PolarHBondContact O-N 2.83Å; F472-Y477 HydrophobicContact CB-CD2 3.95Å; F472-Y477 HydrophobicContact CB-CE2 3.96Å; F472-Y477 HydrophobicContact CD2-CD2 4.01Å; F472-Y477 HydrophobicContact CG-CD2 4.48Å; F472-A481 WeakPolarHBondContact CE2-O 3.35Å; F472-L486 HydrophobicContact CB-CD1 4.19Å; F472-L486 HydrophobicContact CB-CD2 3.8Å; F472-L486 HydrophobicContact CD2-CD1 4.29Å; F472-L486 HydrophobicContact CD2-CD2 4.26Å; F472-L486 HydrophobicContact CG-CD2 4.04Å
473	D	96.2	Very high	95.2	Very high	128 Å²	128	70.7 Å²	70.7	68%	0.684	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-29.4	179.8	-62.7	-24.8	0	0	0	112	K469 G475	K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 2.8Å; D473-G475 VanDerWaalsContact C-N 3.25Å; D473-G475 PolarHBondContact O-N 3.29Å
474	S	96.6	Very high	94.9	Very high	88 Å²	88	73 Å²	73	62%	0.615	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.9	173.7	75.4	0	0	0	0	114.8	E470 R471 F472	E470-S474 WeakPolarHBondContact O-CB 3.34Å; E470-S474 PolarHBondContact O-N 3.09Å; E470-S474 PolarHBondContact O-OG 3.31Å; R471-S474 WeakPolarHBondContact CA-OG 3.31Å; R471-S474 PolarHBondContact O-N 3.2Å; R471-S474 PolarHBondContact O-OG 3.39Å; F472-S474 PolarHBondContact O-N 3.13Å
475	G	95	Very high	94.8	Very high	58 Å²	58	68.3 Å²	68.3	60%	0.598	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	25.7	-177.9	0	0	0	0	0	114.7	R471 F472 D473 Y477	R471-G475 PolarHBondContact O-N 3.11Å; F472-G475 PolarHBondContact O-N 2.83Å; D473-G475 VanDerWaalsContact C-N 3.25Å; D473-G475 PolarHBondContact O-N 3.29Å; G475-Y477 VanDerWaalsContact C-N 3.3Å; G475-Y477 PolarHBondContact O-N 3.22Å
476	L	95.8	Very high	94.8	Very high	98 Å²	98	67.5 Å²	67.5	51%	0.513	36%	0.359	S	S	.	.			trans	-66.8	-30.6	-179.7	-176.9	64.4	0	0	0	113.2	R471	R471-L476 HydrophobicContact CB-CB 4.18Å; R471-L476 HydrophobicContact CB-CD2 3.78Å; R471-L476 HydrophobicContact CG-CD2 3.69Å; R471-L476 VanDerWaalsContact O-CB 3.27Å; R471-L476 WeakPolarHBondContact O-CB 3.28Å; R471-L476 PolarHBondContact O-N 3.43Å
477	Y	95.9	Very high	94.7	Very high	25 Å²	25	62 Å²	62	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-90.9	172.1	-174.6	-57.2	-53.5	0	0	0	112.3	D440 V441 Y460 L468 R471 F472 G475 L486	D440-Y477 WeakPolarHBondContact O-CB 3.1Å; V441-Y477 HydrophobicContact CB-CD1 3.71Å; V441-Y477 HydrophobicContact CB-CE1 3.87Å; V441-Y477 HydrophobicContact CB-CG 4.27Å; V441-Y477 HydrophobicContact CG1-CD1 3.83Å; V441-Y477 HydrophobicContact CG1-CD2 4.3Å; V441-Y477 HydrophobicContact CG1-CE1 4.23Å; V441-Y477 HydrophobicContact CG1-CG 3.85Å; Y460-Y477 HydrophobicContact CE2-CE1 4.38Å; L468-Y477 WeakPolarHBondContact CD2-OH 3.4Å; R471-Y477 HydrophobicContact CB-CE2 3.91Å; F472-Y477 HydrophobicContact CB-CD2 3.95Å; F472-Y477 HydrophobicContact CB-CE2 3.96Å; F472-Y477 HydrophobicContact CD2-CD2 4.01Å; F472-Y477 HydrophobicContact CG-CD2 4.48Å; G475-Y477 VanDerWaalsContact C-N 3.3Å; G475-Y477 PolarHBondContact O-N 3.22Å; Y477-L486 HydrophobicContact CD2-CD1 3.85Å; Y477-L486 HydrophobicContact CE2-CD1 3.32Å
478	A	91.5	Very high	94.7	Very high	12 Å²	12	61.5 Å²	61.5	10%	0.099	33%	0.329	C	S	.	.			trans	-58.6	145	177.3	0	0	0	0	0	111.2	D440 H480 A481	D440-A478 WeakPolarHBondContact O-CB 3.47Å; D440-A478 PolarHBondContact O-N 3.04Å; A478-H480 VanDerWaalsContact CB-CE1 3.49Å; A478-H480 WeakPolarHBondContact CB-CE1 3.36Å; A478-H480 PolarHBondContact O-N 3.48Å; A478-A481 VanDerWaalsContact O-CB 3.25Å; A478-A481 WeakPolarHBondContact O-CB 3.33Å; A478-A481 PolarHBondContact O-N 3.06Å
479	S	86.9	Confident	94.7	Very high	130 Å²	130	61.5 Å²	61.5	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.3	-177.3	54.5	0	0	0	0	115
480	H	82.4	Confident	94.8	Very high	89 Å²	89	57.8 Å²	57.8	41%	0.412	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4	176.8	60.1	-84.9	0	0	0	113.3	D440 A478 D482	D440-H480 IonicContact OD1-CD2 3.57Å; D440-H480 IonicContact OD1-CE1 3.75Å; D440-H480 IonicContact OD1-NE2 3.99Å; D440-H480 PolarHBondContact OD1-NE2 3.44Å; D440-H480 IonicContact OD2-CD2 3.33Å; A478-H480 VanDerWaalsContact CB-CE1 3.49Å; A478-H480 WeakPolarHBondContact CB-CE1 3.36Å; A478-H480 PolarHBondContact O-N 3.48Å; H480-D482 PolarHBondContact O-N 2.79Å
481	A	91.6	Very high	94.8	Very high	9 Å²	9	53 Å²	53	7%	0.074	29%	0.29	C	S	.	.			trans	-70.2	122.6	171.7	0	0	0	0	0	108.4	D440 V441 F472 A478 R485	D440-A481 HydrophobicContact CB-CB 4.04Å; V441-A481 HydrophobicContact CG1-CB 4.44Å; F472-A481 WeakPolarHBondContact CE2-O 3.35Å; A478-A481 VanDerWaalsContact O-CB 3.25Å; A478-A481 WeakPolarHBondContact O-CB 3.33Å; A478-A481 PolarHBondContact O-N 3.06Å; A481-R485 HydrophobicContact CB-CG 4.14Å
482	D	92	Very high	94.9	Very high	67 Å²	67	48.6 Å²	48.6	36%	0.358	27%	0.274	S	S	.	.			trans	-104.7	177.8	175.6	62.8	16.1	0	0	0	111.4	H480 H484 R485 L486	H480-D482 PolarHBondContact O-N 2.79Å; D482-H484 PolarHBondContact O-N 3.08Å; D482-H484 WeakPolarHBondContact OD1-CB 3.34Å; D482-H484 PolarHBondContact OD1-N 2.98Å; D482-R485 WeakPolarHBondContact O-CB 3.25Å; D482-R485 PolarHBondContact O-N 3.03Å; D482-R485 VanDerWaalsContact O-N 3.14Å; D482-R485 PolarHBondContact OD1-N 3.22Å; D482-L486 PolarHBondContact O-N 3.02Å
483	F	93.8	Very high	95	Very high	106 Å²	106	45.7 Å²	45.7	47%	0.465	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-33	177.9	-171.7	-98.7	0	0	0	112.4	W465 L486 K487	W465-F483 HydrophobicContact CH2-CE2 4.18Å; W465-F483 HydrophobicContact CH2-CZ 4.25Å; W465-F483 HydrophobicContact CZ2-CE1 4.46Å; W465-F483 AromaticContact CZ2-CE2 3.68Å; W465-F483 HydrophobicContact CZ2-CE2 3.68Å; W465-F483 AromaticContact CZ2-CZ 3.59Å; W465-F483 HydrophobicContact CZ2-CZ 3.59Å; F483-L486 PolarHBondContact O-N 3.26Å; F483-K487 WeakPolarHBondContact O-CB 3.34Å; F483-K487 PolarHBondContact O-N 3.26Å
484	H	93.7	Very high	95.1	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.347	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-42.8	176.9	-178.7	-72.5	0	0	0	111.2	N331 D482 K487 Y488	N331-H484 PolarHBondContact OD1-CE1 3.3Å; D482-H484 PolarHBondContact O-N 3.08Å; D482-H484 WeakPolarHBondContact OD1-CB 3.34Å; D482-H484 PolarHBondContact OD1-N 2.98Å; H484-K487 PolarHBondContact O-N 3.19Å; H484-Y488 AromaticContact CD2-CD2 3.64Å; H484-Y488 AromaticContact CD2-CE2 3.63Å; H484-Y488 AromaticContact CE1-CD2 3.48Å; H484-Y488 VanDerWaalsContact CE1-CD2 3.48Å; H484-Y488 WeakPolarHBondContact CE1-CD2 3.26Å; H484-Y488 AromaticContact CG-CD2 3.85Å; H484-Y488 AromaticContact ND1-CD2 3.76Å; H484-Y488 AromaticContact NE2-CD2 3.41Å; H484-Y488 WeakPolarHBondContact NE2-CD2 3.5Å; H484-Y488 AromaticContact NE2-CE2 3.53Å; H484-Y488 WeakPolarHBondContact O-CD2 3.44Å; H484-Y488 PolarHBondContact O-N 3.37Å
485	R	96	Very high	95.2	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.045	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-48.8	171.3	171.7	58.7	61.9	-155.1	-13.5	111	E433 Y436 D440 V441 A481 D482 K487 Y488 Q489	E433-R485 VanDerWaalsContact CD-NH2 3.28Å; E433-R485 IonicContact OE1-NH2 3.39Å; E433-R485 PolarHBondContact OE1-NH2 3.05Å; E433-R485 VanDerWaalsContact OE1-NH2 3.1Å; E433-R485 IonicContact OE2-CZ 3.09Å; E433-R485 VanDerWaalsContact OE2-CZ 3.23Å; E433-R485 IonicContact OE2-NH1 3.02Å; E433-R485 PolarHBondContact OE2-NH1 2.82Å; E433-R485 IonicContact OE2-NH2 3.23Å; E433-R485 PolarHBondContact OE2-NH2 3.05Å; Y436-R485 VanDerWaalsContact CB-CZ 3.5Å; D440-R485 HydrophobicContact CB-CG 3.74Å; D440-R485 WeakPolarHBondContact OD2-CD 3.39Å; D440-R485 WeakPolarHBondContact OD2-CG 3.34Å; D440-R485 IonicContact OD2-CZ 2.69Å; D440-R485 IonicContact OD2-NE 2.59Å; D440-R485 PolarHBondContact OD2-NE 2.77Å; D440-R485 IonicContact OD2-NH2 3.68Å; V441-R485 HydrophobicContact CG1-CG 4.07Å; A481-R485 HydrophobicContact CB-CG 4.14Å; D482-R485 WeakPolarHBondContact O-CB 3.25Å; D482-R485 PolarHBondContact O-N 3.03Å; D482-R485 VanDerWaalsContact O-N 3.14Å; D482-R485 PolarHBondContact OD1-N 3.22Å; R485-K487 VanDerWaalsContact C-N 3.32Å; R485-K487 PolarHBondContact O-N 3.49Å; R485-Y488 PolarHBondContact O-N 2.88Å; R485-Q489 VanDerWaalsContact O-CB 3.31Å; R485-Q489 WeakPolarHBondContact O-CB 3.4Å; R485-Q489 PolarHBondContact O-N 3.3Å
486	L	97.4	Very high	95.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-46.1	-179.2	-165.8	76.4	0	0	0	111.7	Y460 W465 L468 K469 F472 Y477 D482 F483	Y460-L486 WeakPolarHBondContact OH-CA 3.34Å; Y460-L486 WeakPolarHBondContact OH-CD1 3.27Å; Y460-L486 PolarHBondContact OH-O 3.33Å; W465-L486 HydrophobicContact CH2-CB 4.27Å; W465-L486 HydrophobicContact CH2-CD2 3.72Å; W465-L486 HydrophobicContact CH2-CG 3.94Å; W465-L486 HydrophobicContact CZ3-CB 4.43Å; W465-L486 HydrophobicContact CZ3-CD2 3.87Å; W465-L486 HydrophobicContact CZ3-CG 3.78Å; L468-L486 HydrophobicContact CB-CD1 4.36Å; K469-L486 HydrophobicContact CG-CD2 4.34Å; F472-L486 HydrophobicContact CB-CD1 4.19Å; F472-L486 HydrophobicContact CB-CD2 3.8Å; F472-L486 HydrophobicContact CD2-CD1 4.29Å; F472-L486 HydrophobicContact CD2-CD2 4.26Å; F472-L486 HydrophobicContact CG-CD2 4.04Å; Y477-L486 HydrophobicContact CD2-CD1 3.85Å; Y477-L486 HydrophobicContact CE2-CD1 3.32Å; D482-L486 PolarHBondContact O-N 3.02Å; F483-L486 PolarHBondContact O-N 3.26Å
487	K	97.7	Very high	95.5	Very high	26 Å²	26	29.1 Å²	29.1	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-50.4	-179.3	-177.5	-179.4	176.8	-170.6	0	112.8	P370 L373 D375 W465 F483 H484 R485	P370-K487 VanDerWaalsContact CD-O 3.27Å; P370-K487 WeakPolarHBondContact CD-O 3.5Å; L373-K487 HydrophobicContact CD2-CG 3.79Å; D375-K487 WeakPolarHBondContact OD1-CE 3.26Å; D375-K487 IonicContact OD1-NZ 3.33Å; D375-K487 PolarHBondContact OD1-NZ 2.84Å; D375-K487 WeakPolarHBondContact OD2-CE 3.32Å; D375-K487 IonicContact OD2-NZ 2.84Å; D375-K487 PolarHBondContact OD2-NZ 2.9Å; W465-K487 HydrophobicContact CH2-CB 4.12Å; F483-K487 WeakPolarHBondContact O-CB 3.34Å; F483-K487 PolarHBondContact O-N 3.26Å; H484-K487 PolarHBondContact O-N 3.19Å; R485-K487 VanDerWaalsContact C-N 3.32Å; R485-K487 PolarHBondContact O-N 3.49Å
488	Y	98.4	Very high	95.6	Very high	29 Å²	29	28 Å²	28	11%	0.114	15%	0.146	C	C	.	.	H	α-helix	trans	-99.5	5.6	-169.2	-64.7	-65.8	0	0	0	114.7	R334 L369 H484 R485 C490 F491 K492	R334-Y488 HydrophobicContact CG-CD1 3.95Å; R334-Y488 HydrophobicContact CG-CE1 3.9Å; L369-Y488 HydrophobicContact CD2-CD1 4.3Å; L369-Y488 HydrophobicContact CD2-CE1 4.35Å; H484-Y488 AromaticContact CD2-CD2 3.64Å; H484-Y488 AromaticContact CD2-CE2 3.63Å; H484-Y488 AromaticContact CE1-CD2 3.48Å; H484-Y488 VanDerWaalsContact CE1-CD2 3.48Å; H484-Y488 WeakPolarHBondContact CE1-CD2 3.26Å; H484-Y488 AromaticContact CG-CD2 3.85Å; H484-Y488 AromaticContact ND1-CD2 3.76Å; H484-Y488 AromaticContact NE2-CD2 3.41Å; H484-Y488 WeakPolarHBondContact NE2-CD2 3.5Å; H484-Y488 AromaticContact NE2-CE2 3.53Å; H484-Y488 WeakPolarHBondContact O-CD2 3.44Å; H484-Y488 PolarHBondContact O-N 3.37Å; R485-Y488 PolarHBondContact O-N 2.88Å; Y488-C490 VanDerWaalsContact C-N 3.25Å; Y488-C490 PolarHBondContact O-N 3.13Å; Y488-F491 PolarHBondContact O-N 3.03Å; Y488-K492 WeakPolarHBondContact O-CB 3.19Å; Y488-K492 WeakPolarHBondContact O-CG 3.31Å; Y488-K492 PolarHBondContact O-N 3.28Å
489	Q	98.5	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-52.9	-42.5	178.4	175.3	68.4	10.7	0	0	112.4	C437 V441 Y460 R485 K492 S493	C437-Q489 PolarHBondContact O-NE2 3.01Å; V441-Q489 HydrophobicContact CG2-CB 4.13Å; V441-Q489 HydrophobicContact CG2-CG 3.4Å; V441-Q489 VanDerWaalsContact CG2-CG 3.4Å; Y460-Q489 HydrophobicContact CD1-CB 4.17Å; Y460-Q489 HydrophobicContact CD1-CG 3.78Å; Y460-Q489 HydrophobicContact CE1-CB 3.51Å; Y460-Q489 HydrophobicContact CE1-CG 3.61Å; Y460-Q489 HydrophobicContact CG-CG 4.35Å; R485-Q489 VanDerWaalsContact O-CB 3.31Å; R485-Q489 WeakPolarHBondContact O-CB 3.4Å; R485-Q489 PolarHBondContact O-N 3.3Å; Q489-K492 PolarHBondContact O-N 3.25Å; Q489-S493 PolarHBondContact NE2-OG 3.42Å; Q489-S493 WeakPolarHBondContact O-CB 3.41Å; Q489-S493 PolarHBondContact O-N 3.05Å; Q489-S493 PolarHBondContact O-OG 2.94Å
490	C	98.7	Very high	96.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-54.9	-177.3	-75.2	0	0	0	0	112.5	C368 C461 Y488 K492 S493 A494	C368-C490 WeakPolarHBondContact O-CB 3.36Å; C461-C490 WeakPolarHBondContact CA-SG 3.33Å; C461-C490 HydrophobicContact CB-CB 4.12Å; C461-C490 WeakPolarHBondContact CB-SG 3.38Å; C461-C490 WeakPolarHBondContact SG-CA 3.37Å; C461-C490 WeakPolarHBondContact SG-CB 3.35Å; C461-C490 CovalentContact SG-SG 2.04Å; C461-C490 PolarHBondContact SG-SG 2.97Å; Y488-C490 VanDerWaalsContact C-N 3.25Å; Y488-C490 PolarHBondContact O-N 3.13Å; C490-K492 PolarHBondContact O-N 2.98Å; C490-S493 PolarHBondContact O-N 3.12Å; C490-A494 WeakPolarHBondContact O-CB 3.3Å; C490-A494 PolarHBondContact O-N 3.2Å
491	F	98.8	Very high	97.1	Very high	1 Å²	1	18 Å²	18	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-53.6	-53.8	173.5	-179.5	-83.7	0	0	0	111.6	A333 R334 Y337 C368 L399 Y488 S493 A494 W495	A333-F491 VanDerWaalsContact C-CZ 3.43Å; A333-F491 HydrophobicContact CB-CE1 3.99Å; A333-F491 HydrophobicContact CB-CZ 4.08Å; A333-F491 WeakPolarHBondContact O-CZ 3.27Å; R334-F491 VanDerWaalsContact CA-CE1 3.45Å; R334-F491 HydrophobicContact CB-CD1 3.78Å; R334-F491 HydrophobicContact CB-CE1 3.62Å; R334-F491 HydrophobicContact CB-CE2 4.45Å; R334-F491 HydrophobicContact CB-CG 4.34Å; R334-F491 HydrophobicContact CB-CZ 4Å; R334-F491 HydrophobicContact CG-CD1 4.37Å; R334-F491 HydrophobicContact CG-CG 4.47Å; R334-F491 VanDerWaalsContact N-CE1 3.29Å; R334-F491 VanDerWaalsContact N-CZ 3.34Å; Y337-F491 HydrophobicContact CD1-CD2 4.08Å; Y337-F491 AromaticContact CD1-CE2 3.76Å; Y337-F491 HydrophobicContact CD1-CE2 3.76Å; Y337-F491 HydrophobicContact CD2-CE2 4.37Å; Y337-F491 HydrophobicContact CG-CD2 4.38Å; Y337-F491 AromaticContact CG-CE2 3.64Å; Y337-F491 HydrophobicContact CG-CE2 3.64Å; C368-F491 HydrophobicContact CB-CB 4.04Å; C368-F491 HydrophobicContact CB-CD2 3.83Å; C368-F491 HydrophobicContact CB-CG 4.44Å; C368-F491 PolarHBondContact O-N 2.92Å; L399-F491 HydrophobicContact CD1-CD2 4.31Å; L399-F491 HydrophobicContact CD1-CE2 4.14Å; L399-F491 HydrophobicContact CD1-CZ 4.4Å; L399-F491 HydrophobicContact CD2-CD2 4.08Å; L399-F491 HydrophobicContact CD2-CE2 3.34Å; L399-F491 HydrophobicContact CD2-CZ 3.84Å; L399-F491 HydrophobicContact CG-CE2 4.37Å; Y488-F491 PolarHBondContact O-N 3.03Å; F491-S493 VanDerWaalsContact C-N 3.29Å; F491-S493 PolarHBondContact O-N 3.04Å; F491-A494 PolarHBondContact O-N 3.3Å; F491-W495 HydrophobicContact CD1-CB 4.48Å; F491-W495 HydrophobicContact CE1-CB 4.14Å; F491-W495 HydrophobicContact CE1-CG 4.4Å; F491-W495 WeakPolarHBondContact O-CB 3.49Å; F491-W495 PolarHBondContact O-N 2.94Å
492	K	98.6	Very high	97.3	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.022	9%	0.09	C	C	.	.	H	α-helix	trans	-65	-35	-175.3	-70.4	-178.8	168.2	-162.5	0	112	N331 E433 Y488 Q489 C490 W495 M496	N331-K492 WeakPolarHBondContact OD1-CE 3.46Å; N331-K492 PolarHBondContact OD1-NZ 3.14Å; E433-K492 IonicContact OE1-NZ 2.65Å; E433-K492 PolarHBondContact OE1-NZ 3.22Å; E433-K492 WeakPolarHBondContact OE2-CD 3.31Å; E433-K492 IonicContact OE2-NZ 3.23Å; Y488-K492 WeakPolarHBondContact O-CB 3.19Å; Y488-K492 WeakPolarHBondContact O-CG 3.31Å; Y488-K492 PolarHBondContact O-N 3.28Å; Q489-K492 PolarHBondContact O-N 3.25Å; C490-K492 PolarHBondContact O-N 2.98Å; K492-W495 PolarHBondContact O-N 3.33Å; K492-M496 VanDerWaalsContact O-CB 3.3Å; K492-M496 WeakPolarHBondContact O-CB 3.41Å; K492-M496 PolarHBondContact O-N 2.78Å
493	S	98.6	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.5	-43.7	177.5	-61.6	0	0	0	0	112.1	Y453 Q489 C490 F491 Y497	Y453-S493 WeakPolarHBondContact OH-CA 3.5Å; Y453-S493 VanDerWaalsContact OH-CB 3.25Å; Y453-S493 WeakPolarHBondContact OH-CB 3.38Å; Y453-S493 PolarHBondContact OH-O 3.08Å; Q489-S493 PolarHBondContact NE2-OG 3.42Å; Q489-S493 WeakPolarHBondContact O-CB 3.41Å; Q489-S493 PolarHBondContact O-N 3.05Å; Q489-S493 PolarHBondContact O-OG 2.94Å; C490-S493 PolarHBondContact O-N 3.12Å; F491-S493 VanDerWaalsContact C-N 3.29Å; F491-S493 PolarHBondContact O-N 3.04Å; S493-Y497 PolarHBondContact O-N 2.86Å; S493-Y497 VanDerWaalsContact O-N 3.09Å
494	A	98.8	Very high	97.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.9	-42.7	176.5	0	0	0	0	0	111	F392 C395 R396 L399 C490 F491 Y497 E498	F392-A494 HydrophobicContact CD2-CB 4.17Å; F392-A494 HydrophobicContact CE2-CB 3.93Å; C395-A494 HydrophobicContact CB-CB 4.28Å; C395-A494 VanDerWaalsContact SG-CB 3.56Å; R396-A494 HydrophobicContact CG-CB 3.64Å; L399-A494 HydrophobicContact CD1-CB 3.86Å; C490-A494 WeakPolarHBondContact O-CB 3.3Å; C490-A494 PolarHBondContact O-N 3.2Å; F491-A494 PolarHBondContact O-N 3.3Å; A494-Y497 WeakPolarHBondContact O-CB 3.42Å; A494-Y497 PolarHBondContact O-N 2.9Å; A494-E498 WeakPolarHBondContact O-CG 3.48Å; A494-E498 PolarHBondContact O-N 2.97Å
495	W	98.8	Very high	97.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-48	175.7	-177.2	-112.5	0	0	0	112.1	F328 A333 L399 F402 L403 F491 K492 Y497 E498 V499	F328-W495 HydrophobicContact CB-CZ2 4.03Å; F328-W495 AromaticContact CD1-CH2 3.85Å; F328-W495 HydrophobicContact CD1-CH2 3.85Å; F328-W495 AromaticContact CD1-CZ2 3.65Å; F328-W495 HydrophobicContact CD1-CZ2 3.65Å; F328-W495 HydrophobicContact CE1-CH2 4.32Å; F328-W495 HydrophobicContact CG-CZ2 4.2Å; F328-W495 PolarHBondContact O-NE1 3.35Å; A333-W495 HydrophobicContact CB-CD2 3.69Å; A333-W495 HydrophobicContact CB-CE3 4.27Å; A333-W495 HydrophobicContact CB-CG 4.08Å; A333-W495 HydrophobicContact CB-CH2 4.25Å; A333-W495 HydrophobicContact CB-CZ2 3.67Å; L399-W495 HydrophobicContact CB-CE3 4.29Å; L399-W495 HydrophobicContact CD1-CB 4.22Å; L399-W495 HydrophobicContact CD1-CE3 4.4Å; F402-W495 HydrophobicContact CB-CH2 4.16Å; F402-W495 HydrophobicContact CB-CZ3 3.82Å; L403-W495 HydrophobicContact CD2-CE3 4.38Å; L403-W495 HydrophobicContact CD2-CH2 3.71Å; L403-W495 HydrophobicContact CD2-CZ2 4.44Å; L403-W495 HydrophobicContact CD2-CZ3 3.66Å; L403-W495 HydrophobicContact CG-CZ3 4.35Å; F491-W495 HydrophobicContact CD1-CB 4.48Å; F491-W495 HydrophobicContact CE1-CB 4.14Å; F491-W495 HydrophobicContact CE1-CG 4.4Å; F491-W495 WeakPolarHBondContact O-CB 3.49Å; F491-W495 PolarHBondContact O-N 2.94Å; K492-W495 PolarHBondContact O-N 3.33Å; W495-Y497 VanDerWaalsContact C-N 3.3Å; W495-Y497 PolarHBondContact O-N 3.25Å; W495-E498 PolarHBondContact O-N 2.94Å; W495-V499 HydrophobicContact CD2-CG2 3.91Å; W495-V499 VanDerWaalsContact CE2-CG2 3.48Å; W495-V499 HydrophobicContact CE3-CG2 4.44Å; W495-V499 HydrophobicContact CG-CG2 4.34Å; W495-V499 HydrophobicContact CH2-CG2 4.28Å; W495-V499 HydrophobicContact CZ2-CG2 3.7Å; W495-V499 WeakPolarHBondContact O-CB 3.36Å; W495-V499 VanDerWaalsContact O-CG2 3.32Å; W495-V499 WeakPolarHBondContact O-CG2 3.36Å; W495-V499 PolarHBondContact O-N 2.92Å
496	M	98.4	Very high	97.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.7	-43.2	175.3	-172.6	-158.5	93.3	0	0	111.6	M272 F434 C437 M438 Y448 Y453 K492 L500	M272-M496 HydrophobicContact SD-CB 4.46Å; F434-M496 HydrophobicContact CB-SD 4.46Å; F434-M496 HydrophobicContact CD1-CG 3.53Å; F434-M496 HydrophobicContact CD1-SD 3.91Å; F434-M496 HydrophobicContact CE1-CG 3.74Å; F434-M496 HydrophobicContact CG-CG 4.29Å; F434-M496 HydrophobicContact CG-SD 4.5Å; C437-M496 HydrophobicContact CB-SD 3.74Å; M438-M496 HydrophobicContact CG-CE 4.44Å; Y448-M496 HydrophobicContact CD2-CE 4.47Å; Y448-M496 HydrophobicContact CE2-CE 3.82Å; Y453-M496 HydrophobicContact CD1-CE 4.16Å; Y453-M496 HydrophobicContact CD2-CE 4.17Å; Y453-M496 HydrophobicContact CE1-CE 3.53Å; Y453-M496 HydrophobicContact CE2-CE 3.54Å; Y453-M496 HydrophobicContact CE2-SD 4.37Å; Y453-M496 HydrophobicContact CG-CE 4.42Å; Y453-M496 WeakPolarHBondContact OH-CE 3.41Å; K492-M496 VanDerWaalsContact O-CB 3.3Å; K492-M496 WeakPolarHBondContact O-CB 3.41Å; K492-M496 PolarHBondContact O-N 2.78Å; M496-L500 VanDerWaalsContact O-CB 3.29Å; M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 PolarHBondContact O-N 3.17Å
497	Y	98.5	Very high	97.7	Very high	24 Å²	24	11.3 Å²	11.3	9%	0.094	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-50.8	177.1	-170.1	-77.3	0	0	0	111.7	R396 A450 Y453 A454 S493 A494 W495 L500 H501	R396-Y497 VanDerWaalsContact NE-CD1 3.27Å; A450-Y497 HydrophobicContact CB-CE2 4.25Å; Y453-Y497 AromaticContact CD1-CD2 3.93Å; Y453-Y497 HydrophobicContact CD1-CD2 3.93Å; Y453-Y497 HydrophobicContact CE1-CD2 4.11Å; A454-Y497 HydrophobicContact CB-CE2 4.17Å; S493-Y497 PolarHBondContact O-N 2.86Å; S493-Y497 VanDerWaalsContact O-N 3.09Å; A494-Y497 WeakPolarHBondContact O-CB 3.42Å; A494-Y497 PolarHBondContact O-N 2.9Å; W495-Y497 VanDerWaalsContact C-N 3.3Å; W495-Y497 PolarHBondContact O-N 3.25Å; Y497-L500 PolarHBondContact O-N 3.01Å; Y497-H501 HydrophobicContact CD1-CB 4.46Å; Y497-H501 AromaticContact CD1-CD2 3.92Å; Y497-H501 AromaticContact CD2-CD2 3.92Å; Y497-H501 HydrophobicContact CE1-CB 4.12Å; Y497-H501 AromaticContact CE1-CD2 3.63Å; Y497-H501 AromaticContact CE2-CD2 3.67Å; Y497-H501 AromaticContact CZ-CD2 3.52Å; Y497-H501 PolarHBondContact O-N 3.12Å
498	E	98.4	Very high	97.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.5	-37.1	-176.6	-68.9	-56.7	131	0	0	111.6	R396 Q400 L403 A494 W495 L500 T502 G503	R396-E498 HydrophobicContact CB-CG 4.03Å; R396-E498 HydrophobicContact CG-CG 4.16Å; R396-E498 IonicContact CZ-OE1 3.48Å; R396-E498 IonicContact NE-OE1 3.36Å; R396-E498 PolarHBondContact NE-OE1 3.22Å; R396-E498 IonicContact NH2-OE1 2.74Å; R396-E498 PolarHBondContact NH2-OE1 3.05Å; Q400-E498 WeakPolarHBondContact CG-OE2 3.47Å; Q400-E498 PolarHBondContact NE2-OE2 3.39Å; Q400-E498 VanDerWaalsContact NE2-OE2 3.08Å; L403-E498 HydrophobicContact CD1-CB 4.24Å; L403-E498 HydrophobicContact CD2-CB 4.49Å; A494-E498 WeakPolarHBondContact O-CG 3.48Å; A494-E498 PolarHBondContact O-N 2.97Å; W495-E498 PolarHBondContact O-N 2.94Å; E498-L500 VanDerWaalsContact C-N 3.35Å; E498-L500 PolarHBondContact O-N 3.41Å; E498-T502 CarbonylContact O-C 3.48Å; E498-T502 VanDerWaalsContact O-CA 3.27Å; E498-T502 WeakPolarHBondContact O-CA 3.45Å; E498-T502 WeakPolarHBondContact O-CB 3.44Å; E498-T502 PolarHBondContact O-N 2.68Å; E498-T502 WeakPolarHBondContact OE2-CB 3.32Å; E498-T502 PolarHBondContact OE2-OG1 3.28Å; E498-G503 PolarHBondContact O-N 3.49Å
499	V	98.2	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-61.1	-43.3	172.3	165.5	0	0	0	0	111.3	M272 T277 L403 L413 W495 G503 F504	M272-V499 HydrophobicContact CE-CB 3.77Å; M272-V499 HydrophobicContact CE-CG1 3.71Å; M272-V499 HydrophobicContact CE-CG2 3.89Å; T277-V499 HydrophobicContact CG2-CG1 4.21Å; L403-V499 HydrophobicContact CD2-CG2 3.82Å; L413-V499 HydrophobicContact CD1-CG1 4.22Å; W495-V499 HydrophobicContact CD2-CG2 3.91Å; W495-V499 VanDerWaalsContact CE2-CG2 3.48Å; W495-V499 HydrophobicContact CE3-CG2 4.44Å; W495-V499 HydrophobicContact CG-CG2 4.34Å; W495-V499 HydrophobicContact CH2-CG2 4.28Å; W495-V499 HydrophobicContact CZ2-CG2 3.7Å; W495-V499 WeakPolarHBondContact O-CB 3.36Å; W495-V499 VanDerWaalsContact O-CG2 3.32Å; W495-V499 WeakPolarHBondContact O-CG2 3.36Å; W495-V499 PolarHBondContact O-N 2.92Å; V499-G503 CarbonylContact O-C 3.56Å; V499-G503 WeakPolarHBondContact O-CA 3.48Å; V499-G503 PolarHBondContact O-N 3.19Å; V499-F504 HydrophobicContact CG1-CD2 4Å; V499-F504 HydrophobicContact CG1-CE2 3.54Å; V499-F504 HydrophobicContact CG1-CZ 4.11Å; V499-F504 PolarHBondContact O-N 2.85Å
500	L	97.8	Very high	97.4	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.111	C	C	.	.	I	π-helix	trans	-68.9	-57	-179.4	-179.3	63	0	0	0	112.3	L270 F434 Y448 M496 Y497 E498 S505 F506 L513	L270-L500 HydrophobicContact CD1-CD1 3.72Å; F434-L500 HydrophobicContact CE1-CB 4.35Å; F434-L500 HydrophobicContact CE1-CD1 4.46Å; Y448-L500 HydrophobicContact CD1-CD2 4.25Å; Y448-L500 HydrophobicContact CE1-CD2 3.73Å; Y448-L500 HydrophobicContact CE2-CD2 4.23Å; M496-L500 VanDerWaalsContact O-CB 3.29Å; M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 PolarHBondContact O-N 3.17Å; Y497-L500 PolarHBondContact O-N 3.01Å; E498-L500 VanDerWaalsContact C-N 3.35Å; E498-L500 PolarHBondContact O-N 3.41Å; L500-S505 PolarHBondContact O-N 3.05Å; L500-F506 HydrophobicContact CD1-CB 3.8Å; L500-F506 HydrophobicContact CD1-CD1 4.04Å; L500-F506 HydrophobicContact CD1-CD2 3.72Å; L500-F506 HydrophobicContact CD1-CE2 4.3Å; L500-F506 HydrophobicContact CD1-CG 3.57Å; L500-F506 HydrophobicContact CG-CB 4.01Å; L500-F506 HydrophobicContact CG-CG 4.34Å; L500-F506 WeakPolarHBondContact O-CB 3.48Å; L500-F506 PolarHBondContact O-N 3.04Å; L500-F506 VanDerWaalsContact O-N 3.09Å; L500-L513 HydrophobicContact CD1-CD2 3.96Å; L500-L513 HydrophobicContact CD2-CD2 3.56Å; L500-L513 HydrophobicContact CG-CD2 4.43Å
501	H	97.2	Very high	97.2	Very high	21 Å²	21	27.5 Å²	27.5	10%	0.097	15%	0.146	C	C	.	.	I	π-helix	trans	-87.4	-38.2	-169.4	-70.9	-56	0	0	0	113.3	Y448 Y497 S505 F506	Y448-H501 AromaticContact CE1-CE1 3.92Å; Y448-H501 AromaticContact CE1-NE2 3.48Å; Y448-H501 WeakPolarHBondContact CE1-NE2 3.34Å; Y448-H501 AromaticContact CZ-NE2 3.62Å; Y448-H501 PolarHBondContact OH-NE2 2.86Å; Y497-H501 HydrophobicContact CD1-CB 4.46Å; Y497-H501 AromaticContact CD1-CD2 3.92Å; Y497-H501 AromaticContact CD2-CD2 3.92Å; Y497-H501 HydrophobicContact CE1-CB 4.12Å; Y497-H501 AromaticContact CE1-CD2 3.63Å; Y497-H501 AromaticContact CE2-CD2 3.67Å; Y497-H501 AromaticContact CZ-CD2 3.52Å; Y497-H501 PolarHBondContact O-N 3.12Å; H501-S505 WeakPolarHBondContact O-CA 3.39Å; H501-F506 PolarHBondContact ND1-O 2.81Å
502	T	95.5	Very high	97	Very high	33 Å²	33	30.7 Å²	30.7	20%	0.202	16%	0.163	C	C	.	.	I	π-helix	trans	-94.2	-39.2	-179.3	-52.2	0	0	0	0	110.6	L403 R405 E498	L403-T502 HydrophobicContact CD1-CG2 3.66Å; R405-T502 WeakPolarHBondContact CD-O 3.28Å; R405-T502 PolarHBondContact NE-O 2.87Å; R405-T502 PolarHBondContact NH1-O 2.97Å; E498-T502 CarbonylContact O-C 3.48Å; E498-T502 VanDerWaalsContact O-CA 3.27Å; E498-T502 WeakPolarHBondContact O-CA 3.45Å; E498-T502 WeakPolarHBondContact O-CB 3.44Å; E498-T502 PolarHBondContact O-N 2.68Å; E498-T502 WeakPolarHBondContact OE2-CB 3.32Å; E498-T502 PolarHBondContact OE2-OG1 3.28Å
503	G	95.4	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-73.1	-67.6	-179.5	0	0	0	0	0	112.8	S412 E498 V499 S505	S412-G503 WeakPolarHBondContact CA-O 3.38Å; E498-G503 PolarHBondContact O-N 3.49Å; V499-G503 CarbonylContact O-C 3.56Å; V499-G503 WeakPolarHBondContact O-CA 3.48Å; V499-G503 PolarHBondContact O-N 3.19Å; G503-S505 VanDerWaalsContact C-N 3.26Å; G503-S505 PolarHBondContact O-N 2.74Å
504	F	95.8	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-82	-3.7	-178.9	-60	-41.2	0	0	0	113.9	L270 T277 I279 F325 L413 Q418 Y423 V499 F506	L270-F504 HydrophobicContact CD2-CD2 3.79Å; L270-F504 HydrophobicContact CD2-CE2 3.86Å; T277-F504 HydrophobicContact CG2-CE2 3.95Å; T277-F504 HydrophobicContact CG2-CZ 3.88Å; I279-F504 HydrophobicContact CB-CE1 4.34Å; I279-F504 HydrophobicContact CB-CE2 4.45Å; I279-F504 HydrophobicContact CB-CZ 4.16Å; I279-F504 HydrophobicContact CD1-CB 4.44Å; I279-F504 HydrophobicContact CD1-CD1 4.11Å; I279-F504 HydrophobicContact CD1-CD2 4.37Å; I279-F504 HydrophobicContact CD1-CE1 4.5Å; I279-F504 HydrophobicContact CD1-CG 4.06Å; I279-F504 HydrophobicContact CG2-CD1 4.47Å; I279-F504 HydrophobicContact CG2-CE1 3.93Å; I279-F504 HydrophobicContact CG2-CZ 4.14Å; F325-F504 HydrophobicContact CD2-CE1 4.08Å; F325-F504 HydrophobicContact CD2-CZ 4.04Å; F325-F504 AromaticContact CE2-CE1 3.4Å; F325-F504 HydrophobicContact CE2-CE1 3.4Å; F325-F504 VanDerWaalsContact CE2-CE1 3.4Å; F325-F504 AromaticContact CE2-CZ 3.77Å; F325-F504 HydrophobicContact CE2-CZ 3.77Å; F325-F504 AromaticContact CZ-CE1 3.91Å; F325-F504 HydrophobicContact CZ-CE1 3.91Å; L413-F504 HydrophobicContact CD1-CE1 3.82Å; L413-F504 HydrophobicContact CD1-CZ 3.83Å; L413-F504 HydrophobicContact CG-CE1 4.1Å; Q418-F504 PolarHBondContact NE2-O 3.1Å; Y423-F504 PolarHBondContact OH-O 3.06Å; V499-F504 HydrophobicContact CG1-CD2 4Å; V499-F504 HydrophobicContact CG1-CE2 3.54Å; V499-F504 HydrophobicContact CG1-CZ 4.11Å; V499-F504 PolarHBondContact O-N 2.85Å; F504-F506 VanDerWaalsContact C-N 3.29Å; F504-F506 HydrophobicContact CB-CD2 3.65Å; F504-F506 HydrophobicContact CB-CE2 3.81Å; F504-F506 PolarHBondContact O-N 3.27Å
505	S	95.3	Very high	96.4	Very high	51 Å²	51	34.3 Å²	34.3	36%	0.357	18%	0.179	S	C	.	.			trans	61.9	31.6	177.1	-54.7	0	0	0	0	113.9	Y423 L500 H501 G503	Y423-S505 VanDerWaalsContact OH-C 3.31Å; Y423-S505 PolarHBondContact OH-O 3.15Å; L500-S505 PolarHBondContact O-N 3.05Å; H501-S505 WeakPolarHBondContact O-CA 3.39Å; G503-S505 VanDerWaalsContact C-N 3.26Å; G503-S505 PolarHBondContact O-N 2.74Å
506	F	96.7	Very high	95.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.181	C	C	.	.			trans	-66.1	131.8	172.1	-84.1	-110	0	0	0	109.8	L270 I279 I421 Y423 F428 L500 H501 F504 Y510	L270-F506 HydrophobicContact CD1-CE2 4.29Å; L270-F506 HydrophobicContact CD1-CZ 4.09Å; L270-F506 HydrophobicContact CD2-CE2 4.48Å; I279-F506 HydrophobicContact CD1-CE2 4.4Å; I421-F506 HydrophobicContact CD1-CE2 4.02Å; I421-F506 HydrophobicContact CD1-CZ 4.17Å; Y423-F506 HydrophobicContact CD1-CD1 4.26Å; Y423-F506 HydrophobicContact CD1-CE1 4.45Å; Y423-F506 HydrophobicContact CE1-CB 4.44Å; Y423-F506 AromaticContact CE1-CD1 3.78Å; Y423-F506 HydrophobicContact CE1-CD1 3.78Å; Y423-F506 HydrophobicContact CE1-CD2 4.15Å; Y423-F506 AromaticContact CE1-CE1 3.99Å; Y423-F506 HydrophobicContact CE1-CE1 3.99Å; Y423-F506 HydrophobicContact CE1-CE2 4.34Å; Y423-F506 AromaticContact CE1-CG 3.87Å; Y423-F506 HydrophobicContact CE1-CG 3.87Å; Y423-F506 HydrophobicContact CE1-CZ 4.27Å; F428-F506 HydrophobicContact CB-CE1 4.33Å; F428-F506 HydrophobicContact CD1-CE1 4.41Å; F428-F506 AromaticContact CD1-CZ 3.85Å; F428-F506 HydrophobicContact CD1-CZ 3.85Å; F428-F506 AromaticContact CD2-CE1 3.7Å; F428-F506 HydrophobicContact CD2-CE1 3.7Å; F428-F506 AromaticContact CD2-CZ 3.79Å; F428-F506 HydrophobicContact CD2-CZ 3.79Å; F428-F506 AromaticContact CE1-CZ 3.88Å; F428-F506 HydrophobicContact CE1-CZ 3.88Å; F428-F506 HydrophobicContact CE2-CE1 4.04Å; F428-F506 AromaticContact CE2-CZ 3.83Å; F428-F506 HydrophobicContact CE2-CZ 3.83Å; F428-F506 AromaticContact CG-CE1 3.9Å; F428-F506 HydrophobicContact CG-CE1 3.9Å; F428-F506 AromaticContact CG-CZ 3.8Å; F428-F506 HydrophobicContact CG-CZ 3.8Å; F428-F506 AromaticContact CZ-CZ 3.87Å; F428-F506 HydrophobicContact CZ-CZ 3.87Å; L500-F506 HydrophobicContact CD1-CB 3.8Å; L500-F506 HydrophobicContact CD1-CD1 4.04Å; L500-F506 HydrophobicContact CD1-CD2 3.72Å; L500-F506 HydrophobicContact CD1-CE2 4.3Å; L500-F506 HydrophobicContact CD1-CG 3.57Å; L500-F506 HydrophobicContact CG-CB 4.01Å; L500-F506 HydrophobicContact CG-CG 4.34Å; L500-F506 WeakPolarHBondContact O-CB 3.48Å; L500-F506 PolarHBondContact O-N 3.04Å; L500-F506 VanDerWaalsContact O-N 3.09Å; H501-F506 PolarHBondContact ND1-O 2.81Å; F504-F506 VanDerWaalsContact C-N 3.29Å; F504-F506 HydrophobicContact CB-CD2 3.65Å; F504-F506 HydrophobicContact CB-CE2 3.81Å; F504-F506 PolarHBondContact O-N 3.27Å; F506-Y510 AromaticContact CD1-CD1 3.74Å; F506-Y510 HydrophobicContact CD1-CD1 3.74Å; F506-Y510 AromaticContact CD1-CE1 3.93Å; F506-Y510 HydrophobicContact CD1-CE1 3.93Å; F506-Y510 HydrophobicContact CD1-CG 4.15Å; F506-Y510 HydrophobicContact CE1-CD1 4.15Å; F506-Y510 AromaticContact CE1-CE1 3.84Å; F506-Y510 HydrophobicContact CE1-CE1 3.84Å
507	P	96.9	Very high	94.7	Very high	41 Å²	41	36.1 Å²	36.1	27%	0.266	19%	0.189	S	C	.	.			trans	-60.9	143.4	175.4	-24.5	34.3	0	0	0	112.1	Y423 N509 Y510	Y423-P507 HydrophobicContact CD1-CG 4.41Å; Y423-P507 HydrophobicContact CD2-CG 3.82Å; Y423-P507 HydrophobicContact CE2-CG 4.19Å; Y423-P507 HydrophobicContact CG-CG 3.93Å; P507-N509 WeakPolarHBondContact CB-OD1 3.48Å; P507-N509 PolarHBondContact O-N 3.4Å; P507-Y510 WeakPolarHBondContact O-CB 3.46Å; P507-Y510 PolarHBondContact O-N 3.15Å
508	T	96.6	Very high	93.5	Very high	85 Å²	85	38.9 Å²	38.9	52%	0.521	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	177.6	52.7	0	0	0	0	113.3	A450	A450-T508 WeakPolarHBondContact CB-O 3.35Å
509	N	96	Very high	92.2	Very high	126 Å²	126	39.2 Å²	39.2	67%	0.674	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7.3	174.2	68.7	-22	0	0	0	113.4	P507 K511	P507-N509 WeakPolarHBondContact CB-OD1 3.48Å; P507-N509 PolarHBondContact O-N 3.4Å; N509-K511 WeakPolarHBondContact O-CG 2.83Å; N509-K511 PolarHBondContact O-N 2.67Å
510	Y	96.8	Very high	90.6	Very high	17 Å²	17	41.9 Å²	41.9	7%	0.067	22%	0.217	C	C	.	.			trans	-63.5	127	176.2	-172.7	-109.1	0	0	0	110.7	Y423 S426 Q427 F428 F506 P507 N512 L513	Y423-Y510 HydrophobicContact CD1-CD2 4.01Å; Y423-Y510 AromaticContact CD1-CE2 4Å; Y423-Y510 HydrophobicContact CD1-CE2 4Å; Y423-Y510 HydrophobicContact CG-CD2 4.49Å; Y423-Y510 WeakPolarHBondContact O-CE2 3.26Å; S426-Y510 VanDerWaalsContact C-OH 3.25Å; S426-Y510 PolarHBondContact O-OH 2.92Å; S426-Y510 PolarHBondContact OG-OH 3.01Å; Q427-Y510 WeakPolarHBondContact CA-OH 3.4Å; Q427-Y510 PolarHBondContact N-OH 3.23Å; F428-Y510 WeakPolarHBondContact CD2-OH 3.32Å; F506-Y510 AromaticContact CD1-CD1 3.74Å; F506-Y510 HydrophobicContact CD1-CD1 3.74Å; F506-Y510 AromaticContact CD1-CE1 3.93Å; F506-Y510 HydrophobicContact CD1-CE1 3.93Å; F506-Y510 HydrophobicContact CD1-CG 4.15Å; F506-Y510 HydrophobicContact CE1-CD1 4.15Å; F506-Y510 AromaticContact CE1-CE1 3.84Å; F506-Y510 HydrophobicContact CE1-CE1 3.84Å; P507-Y510 WeakPolarHBondContact O-CB 3.46Å; P507-Y510 PolarHBondContact O-N 3.15Å; Y510-N512 HydrophobicContact CE1-CB 4.12Å; Y510-N512 HydrophobicContact CE2-CB 4.21Å; Y510-L513 HydrophobicContact CD1-CB 3.77Å; Y510-L513 HydrophobicContact CE1-CB 3.73Å; Y510-L513 VanDerWaalsContact CE1-N 3.34Å
511	K	93.6	Very high	89	Confident	169 Å²	169	45.6 Å²	45.6	74%	0.735	24%	0.237	S	C	*	.			trans	-108.3	-13.1	-173.1	-59.5	-174	-177.9	176.3	0	114.2	N509	N509-K511 WeakPolarHBondContact O-CG 2.83Å; N509-K511 PolarHBondContact O-N 2.67Å
512	N	95.1	Very high	87.4	Confident	68 Å²	68	45.9 Å²	45.9	36%	0.364	24%	0.238	S	C	.	.			trans	-100.6	27.7	-171.5	-58.4	-20.2	0	0	0	112.4	S426 Q427 F428 Y510	S426-N512 VanDerWaalsContact O-CB 3.27Å; S426-N512 WeakPolarHBondContact O-CB 3.34Å; S426-N512 PolarHBondContact O-ND2 3.5Å; Q427-N512 WeakPolarHBondContact CA-O 3.46Å; Q427-N512 HydrophobicContact CB-CB 4.44Å; F428-N512 PolarHBondContact N-O 2.85Å; Y510-N512 HydrophobicContact CE1-CB 4.12Å; Y510-N512 HydrophobicContact CE2-CB 4.21Å
513	L	96.8	Very high	86.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.1	170.2	173.3	62.1	0	0	0	108.7	L270 F428 Y448 L500 Y510	L270-L513 HydrophobicContact CD1-CD1 4.12Å; F428-L513 HydrophobicContact CB-CD1 3.91Å; F428-L513 WeakPolarHBondContact O-CA 3.4Å; Y448-L513 WeakPolarHBondContact CB-O 3.32Å; Y448-L513 HydrophobicContact CD1-CD2 3.93Å; Y448-L513 HydrophobicContact CD2-CD2 4.32Å; Y448-L513 HydrophobicContact CG-CD2 3.76Å; Y448-L513 HydrophobicContact CG-CG 4.27Å; Y448-L513 PolarHBondContact N-O 3.1Å; L500-L513 HydrophobicContact CD1-CD2 3.96Å; L500-L513 HydrophobicContact CD2-CD2 3.56Å; L500-L513 HydrophobicContact CG-CD2 4.43Å; Y510-L513 HydrophobicContact CD1-CB 3.77Å; Y510-L513 HydrophobicContact CE1-CB 3.73Å; Y510-L513 VanDerWaalsContact CE1-N 3.34Å
514	K	94.9	Very high	84.9	Confident	78 Å²	78	45.4 Å²	45.4	34%	0.339	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	175.2	-175	167.8	179.7	174.9	0	110.2	F428 Y429 G430 G446	F428-K514 PolarHBondContact O-N 3.37Å; Y429-K514 CarbonylContact C-O 3.6Å; Y429-K514 VanDerWaalsContact CA-O 3.24Å; Y429-K514 WeakPolarHBondContact CA-O 3.23Å; Y429-K514 HydrophobicContact CD1-CB 4.21Å; Y429-K514 HydrophobicContact CD1-CG 4.44Å; Y429-K514 HydrophobicContact CE1-CB 4.04Å; Y429-K514 HydrophobicContact CE1-CD 3.81Å; Y429-K514 HydrophobicContact CE1-CG 4.07Å; G430-K514 PolarHBondContact N-O 3.21Å; G446-K514 CarbonylContact O-C 3.43Å; G446-K514 WeakPolarHBondContact O-CA 3.37Å
515	T	92.3	Very high	83.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.9	173.4	68.2	0	0	0	0	109.8	G430 F434 M438 G446	G430-T515 VanDerWaalsContact O-CA 3.3Å; G430-T515 WeakPolarHBondContact O-CA 3.46Å; F434-T515 HydrophobicContact CB-CG2 4.09Å; F434-T515 WeakPolarHBondContact O-CG2 3.47Å; M438-T515 HydrophobicContact SD-CG2 3.34Å; M438-T515 WeakPolarHBondContact SD-CG2 3.49Å; M438-T515 PolarHBondContact SD-OG1 2.82Å; G446-T515 VanDerWaalsContact CA-O 3.29Å; G446-T515 WeakPolarHBondContact CA-O 3.4Å; G446-T515 PolarHBondContact N-O 2.97Å; G446-T515 VanDerWaalsContact N-O 3.1Å; G446-T515 PolarHBondContact N-OG1 2.84Å; G446-T515 PolarHBondContact O-N 2.68Å; G446-T515 PolarHBondContact O-OG1 2.89Å
516	A	84.3	Confident	83.6	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.041	22%	0.224	C	C	.	.			trans	-154	140.4	-174	0	0	0	0	0	110.7	Y429 G430 F431 Y435 V519	Y429-A516 HydrophobicContact CD1-CB 4.49Å; G430-A516 PolarHBondContact O-N 3.01Å; F431-A516 WeakPolarHBondContact CD1-O 3.42Å; Y435-A516 VanDerWaalsContact CD2-C 3.47Å; Y435-A516 VanDerWaalsContact CD2-CA 3.48Å; A516-V519 HydrophobicContact CB-CG2 4.03Å
517	L	77.4	Confident	83.4	Confident	33 Å²	33	44.3 Å²	44.3	17%	0.173	22%	0.223	C	C	.	.	S	Bend	trans	-90	-36.3	160.2	-175.1	66.5	0	0	0	110.6	Y435 Y436 V524	Y435-L517 HydrophobicContact CD1-CB 3.71Å; Y435-L517 HydrophobicContact CD2-CB 4.27Å; Y435-L517 VanDerWaalsContact CD2-N 3.28Å; Y435-L517 HydrophobicContact CE1-CB 3.51Å; Y435-L517 HydrophobicContact CE1-CD2 4.14Å; Y435-L517 HydrophobicContact CE1-CG 4.39Å; Y435-L517 HydrophobicContact CE2-CB 4.06Å; Y435-L517 HydrophobicContact CG-CB 4.06Å; Y436-L517 HydrophobicContact CE1-CD1 4.23Å; L517-V524 PolarHBondContact O-N 2.8Å
518	L	72.7	Confident	83.2	Confident	82 Å²	82	42.9 Å²	42.9	43%	0.429	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.8	179	-51.5	178.8	0	0	0	109.8	K522 E523	L518-K522 CarbonylContact C-O 3.56Å; L518-K522 VanDerWaalsContact CA-O 3.22Å; L518-K522 WeakPolarHBondContact CA-O 3.41Å; L518-E523 VanDerWaalsContact CD2-CA 3.45Å; L518-E523 HydrophobicContact CD2-CB 3.73Å; L518-E523 HydrophobicContact CD2-CG 3.98Å
519	V	70.1	Confident	83.1	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.1	166.1	-175.8	0	0	0	0	107.3	I230 V233 L234 Y429 A516 D521 K522 V524	I230-V519 HydrophobicContact CD1-CB 4.36Å; I230-V519 HydrophobicContact CD1-CG1 4.34Å; I230-V519 HydrophobicContact CD1-CG2 3.77Å; V233-V519 HydrophobicContact CG1-CB 3.99Å; V233-V519 HydrophobicContact CG1-CG1 3.98Å; L234-V519 HydrophobicContact CD2-CG1 3.98Å; Y429-V519 HydrophobicContact CD1-CG2 4.08Å; Y429-V519 HydrophobicContact CE1-CG1 4.48Å; Y429-V519 HydrophobicContact CE1-CG2 3.97Å; A516-V519 HydrophobicContact CB-CG2 4.03Å; V519-D521 VanDerWaalsContact C-N 3.33Å; V519-D521 PolarHBondContact O-N 3.02Å; V519-K522 PolarHBondContact N-O 3.38Å; V519-K522 PolarHBondContact O-N 3.3Å; V519-V524 HydrophobicContact CB-CG2 3.44Å; V519-V524 VanDerWaalsContact CB-CG2 3.44Å; V519-V524 HydrophobicContact CG2-CB 4.29Å; V519-V524 HydrophobicContact CG2-CG2 3.5Å; V519-V524 VanDerWaalsContact CG2-CG2 3.5Å
520	Y	66.1	Low	83.1	Confident	55 Å²	55	32.8 Å²	32.8	22%	0.216	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	44.4	-172.7	-49.9	-46.1	0	0	0	113.2	H70 V233 L234 K522	H70-Y520 HydrophobicContact CB-CE1 4.36Å; H70-Y520 AromaticContact CE1-CD1 3.95Å; H70-Y520 AromaticContact ND1-CD1 3.18Å; H70-Y520 WeakPolarHBondContact ND1-CD1 3.41Å; H70-Y520 AromaticContact ND1-CE1 3.44Å; H70-Y520 WeakPolarHBondContact ND1-CE1 3.39Å; V233-Y520 HydrophobicContact CG1-CD2 3.91Å; V233-Y520 WeakPolarHBondContact O-CD2 3.45Å; V233-Y520 WeakPolarHBondContact O-CE2 3.21Å; L234-Y520 HydrophobicContact CD2-CE2 3.94Å; Y520-K522 PolarHBondContact O-N 3.3Å
521	D	63.3	Low	83	Confident	79 Å²	79	32 Å²	32	42%	0.422	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.4	-178	-59.8	-46.8	0	0	0	115.1	L77 R124 V519	L77-D521 HydrophobicContact CD2-CB 4.37Å; R124-D521 PolarHBondContact NH2-O 2.91Å; V519-D521 VanDerWaalsContact C-N 3.33Å; V519-D521 PolarHBondContact O-N 3.02Å
522	K	64.6	Low	83.1	Confident	28 Å²	28	24.2 Å²	24.2	12%	0.122	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.6	171.1	-62.4	-179.6	-178.3	-173.5	0	108.7	L518 V519 Y520 V524	L518-K522 CarbonylContact C-O 3.56Å; L518-K522 VanDerWaalsContact CA-O 3.22Å; L518-K522 WeakPolarHBondContact CA-O 3.41Å; V519-K522 PolarHBondContact N-O 3.38Å; V519-K522 PolarHBondContact O-N 3.3Å; Y520-K522 PolarHBondContact O-N 3.3Å; K522-V524 PolarHBondContact O-N 3.15Å; K522-V524 VanDerWaalsContact O-N 3.07Å
523	E	68.4	Low	83.1	Confident	18 Å²	18	23.3 Å²	23.3	8%	0.084	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	110.4	174	-155	-178.7	166.8	0	0	107.6	K134 L518 Q525	K134-E523 IonicContact NZ-OE1 2.98Å; K134-E523 PolarHBondContact NZ-OE1 2.8Å; K134-E523 IonicContact NZ-OE2 3.47Å; L518-E523 VanDerWaalsContact CD2-CA 3.45Å; L518-E523 HydrophobicContact CD2-CB 3.73Å; L518-E523 HydrophobicContact CD2-CG 3.98Å; E523-Q525 HydrophobicContact CB-CG 4.34Å; E523-Q525 HydrophobicContact CG-CG 3.77Å; E523-Q525 PolarHBondContact O-N 3.41Å; E523-Q525 VanDerWaalsContact O-N 3.11Å; E523-Q525 PolarHBondContact OE1-NE2 3.06Å
524	V	69	Low	83	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.024	12%	0.122	C	C	.	.			trans	-84.5	93.8	178.4	-179.6	0	0	0	0	107.1	I230 V233 F431 L517 V519 K522	I230-V524 HydrophobicContact CB-CG1 4.03Å; I230-V524 HydrophobicContact CD1-CG1 4.1Å; I230-V524 HydrophobicContact CD1-CG2 4.34Å; V233-V524 HydrophobicContact CB-CG2 4.21Å; V233-V524 HydrophobicContact CG1-CG2 4.01Å; V233-V524 HydrophobicContact CG2-CG2 4.14Å; F431-V524 HydrophobicContact CE1-CB 3.72Å; F431-V524 HydrophobicContact CE1-CG1 3.85Å; F431-V524 HydrophobicContact CZ-CB 4.1Å; F431-V524 HydrophobicContact CZ-CG1 3.7Å; L517-V524 PolarHBondContact O-N 2.8Å; V519-V524 HydrophobicContact CB-CG2 3.44Å; V519-V524 VanDerWaalsContact CB-CG2 3.44Å; V519-V524 HydrophobicContact CG2-CB 4.29Å; V519-V524 HydrophobicContact CG2-CG2 3.5Å; V519-V524 VanDerWaalsContact CG2-CG2 3.5Å; K522-V524 PolarHBondContact O-N 3.15Å; K522-V524 VanDerWaalsContact O-N 3.07Å
525	Q	74.3	Confident	82.9	Confident	23 Å²	23	22.7 Å²	22.7	11%	0.107	11%	0.107	C	C	.	.			trans	-108.8	150.6	175.2	-63.2	-64.9	-15.8	0	0	109	F103 E523 T527 L528	F103-Q525 HydrophobicContact CE1-CB 4.37Å; F103-Q525 HydrophobicContact CE1-CG 3.77Å; F103-Q525 HydrophobicContact CZ-CB 4.21Å; F103-Q525 HydrophobicContact CZ-CG 3.66Å; E523-Q525 HydrophobicContact CB-CG 4.34Å; E523-Q525 HydrophobicContact CG-CG 3.77Å; E523-Q525 PolarHBondContact O-N 3.41Å; E523-Q525 VanDerWaalsContact O-N 3.11Å; E523-Q525 PolarHBondContact OE1-NE2 3.06Å; Q525-T527 WeakPolarHBondContact CB-OG1 3.43Å; Q525-T527 PolarHBondContact O-N 2.86Å; Q525-T527 VanDerWaalsContact O-N 3.07Å; Q525-L528 PolarHBondContact O-N 3.25Å
526	W	89.2	Confident	83	Confident	10 Å²	10	25.2 Å²	25.2	4%	0.038	12%	0.116	C	C	.	.	H	α-helix	trans	-56	-24.4	172.1	62.9	-97.7	0	0	0	111.6	D94 L177 T179 I217 E222 Y225 A226 L528 G529 A530	D94-W526 HydrophobicContact CB-CH2 4.37Å; D94-W526 HydrophobicContact CB-CZ2 3.68Å; D94-W526 WeakPolarHBondContact OD1-CZ2 3.27Å; L177-W526 HydrophobicContact CB-CH2 3.54Å; L177-W526 HydrophobicContact CB-CZ3 3.85Å; L177-W526 HydrophobicContact CD1-CH2 4.26Å; L177-W526 HydrophobicContact CD1-CZ3 3.71Å; L177-W526 HydrophobicContact CG-CZ3 4.44Å; T179-W526 HydrophobicContact CG2-CH2 4Å; T179-W526 HydrophobicContact CG2-CZ2 3.44Å; T179-W526 VanDerWaalsContact CG2-CZ2 3.44Å; I217-W526 HydrophobicContact CD1-CE3 4Å; I217-W526 HydrophobicContact CD1-CH2 3.74Å; I217-W526 HydrophobicContact CD1-CZ2 4.38Å; I217-W526 HydrophobicContact CD1-CZ3 3.53Å; E222-W526 HydrophobicContact CG-CD2 4.4Å; E222-W526 HydrophobicContact CG-CG 4.31Å; Y225-W526 WeakPolarHBondContact CB-O 3.26Å; Y225-W526 HydrophobicContact CD2-CE3 4.13Å; Y225-W526 HydrophobicContact CD2-CZ3 4.44Å; A226-W526 HydrophobicContact CB-CB 3.89Å; W526-L528 PolarHBondContact O-N 3.46Å; W526-G529 PolarHBondContact O-N 3.34Å; W526-A530 HydrophobicContact CE3-CB 4.21Å; W526-A530 HydrophobicContact CZ3-CB 4.26Å; W526-A530 PolarHBondContact O-N 3.47Å
527	T	92.6	Very high	83.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-31.7	175.8	60.4	0	0	0	0	113.5	V92 D94 F103 Y105 Q525 A530 I531	V92-T527 HydrophobicContact CB-CG2 4.3Å; V92-T527 HydrophobicContact CG1-CG2 3.61Å; D94-T527 HydrophobicContact CB-CG2 3.84Å; F103-T527 HydrophobicContact CD2-CG2 3.78Å; F103-T527 WeakPolarHBondContact CD2-OG1 3.32Å; F103-T527 HydrophobicContact CE2-CG2 3.9Å; Y105-T527 PolarHBondContact OH-OG1 2.98Å; Q525-T527 WeakPolarHBondContact CB-OG1 3.43Å; Q525-T527 PolarHBondContact O-N 2.86Å; Q525-T527 VanDerWaalsContact O-N 3.07Å; T527-A530 WeakPolarHBondContact O-CB 3.39Å; T527-A530 PolarHBondContact O-N 3.18Å; T527-I531 PolarHBondContact O-N 3.26Å
528	L	92.6	Very high	83.9	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-41.9	174.5	176.8	58.9	0	0	0	111.5	Y105 I120 F232 V233 Q525 W526 A530 I531 L532	Y105-L528 HydrophobicContact CD1-CD1 3.97Å; Y105-L528 HydrophobicContact CE1-CB 4.07Å; Y105-L528 HydrophobicContact CE1-CD1 3.7Å; Y105-L528 HydrophobicContact CE1-CG 4.41Å; Y105-L528 PolarHBondContact OH-N 3.37Å; I120-L528 HydrophobicContact CB-CD1 4.27Å; I120-L528 HydrophobicContact CG2-CD1 3.69Å; F232-L528 HydrophobicContact CD1-CD1 4.39Å; F232-L528 HydrophobicContact CD1-CD2 4.05Å; F232-L528 HydrophobicContact CD1-CG 4.3Å; F232-L528 HydrophobicContact CE1-CD1 4.4Å; V233-L528 HydrophobicContact CG2-CD2 3.37Å; Q525-L528 PolarHBondContact O-N 3.25Å; W526-L528 PolarHBondContact O-N 3.46Å; L528-A530 VanDerWaalsContact C-N 3.32Å; L528-I531 HydrophobicContact CD1-CG2 4.25Å; L528-I531 WeakPolarHBondContact O-CG2 3.47Å; L528-L532 WeakPolarHBondContact O-CB 3.33Å; L528-L532 PolarHBondContact O-N 3.1Å
529	G	94.6	Very high	84.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69	-33.4	174.3	0	0	0	0	0	112.5	Y225 W526 Y533	Y225-G529 WeakPolarHBondContact O-CA 3.43Å; W526-G529 PolarHBondContact O-N 3.34Å; G529-Y533 VanDerWaalsContact O-CB 3.27Å; G529-Y533 WeakPolarHBondContact O-CB 3.43Å; G529-Y533 PolarHBondContact O-N 3.38Å
530	A	95.8	Very high	85.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-51.3	174.8	0	0	0	0	0	111.3	L177 Y225 W526 T527 L528 L532 Y533 R534	L177-A530 HydrophobicContact CD1-CB 3.85Å; Y225-A530 HydrophobicContact CD1-CB 4.24Å; Y225-A530 HydrophobicContact CD2-CB 3.64Å; Y225-A530 HydrophobicContact CE2-CB 3.95Å; Y225-A530 HydrophobicContact CG-CB 3.81Å; W526-A530 HydrophobicContact CE3-CB 4.21Å; W526-A530 HydrophobicContact CZ3-CB 4.26Å; W526-A530 PolarHBondContact O-N 3.47Å; T527-A530 WeakPolarHBondContact O-CB 3.39Å; T527-A530 PolarHBondContact O-N 3.18Å; L528-A530 VanDerWaalsContact C-N 3.32Å; A530-L532 VanDerWaalsContact C-N 3.33Å; A530-L532 PolarHBondContact O-N 2.98Å; A530-Y533 PolarHBondContact O-N 2.84Å; A530-R534 VanDerWaalsContact O-CB 3.28Å; A530-R534 WeakPolarHBondContact O-CB 3.39Å; A530-R534 WeakPolarHBondContact O-CG 3.33Å; A530-R534 PolarHBondContact O-N 3.2Å
531	I	95.8	Very high	86.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-42	178.2	-169.2	66.1	0	0	0	110.9	V92 Y105 W107 I120 Y175 T527 L528 Y533 R534 T535	V92-I531 HydrophobicContact CG2-CB 3.82Å; V92-I531 HydrophobicContact CG2-CD1 4.23Å; V92-I531 HydrophobicContact CG2-CG1 4.46Å; Y105-I531 HydrophobicContact CD2-CB 4.27Å; Y105-I531 HydrophobicContact CD2-CG1 4.47Å; Y105-I531 HydrophobicContact CD2-CG2 3.78Å; Y105-I531 HydrophobicContact CE2-CG2 4.03Å; Y105-I531 HydrophobicContact CG-CG2 4.04Å; W107-I531 HydrophobicContact CH2-CD1 4.39Å; W107-I531 HydrophobicContact CH2-CG1 4.37Å; W107-I531 HydrophobicContact CZ3-CG1 4.09Å; I120-I531 HydrophobicContact CD1-CG1 4.38Å; I120-I531 HydrophobicContact CD1-CG2 4.1Å; I120-I531 HydrophobicContact CG2-CG2 4.07Å; Y175-I531 HydrophobicContact CD2-CD1 3.85Å; Y175-I531 HydrophobicContact CE2-CD1 3.64Å; T527-I531 PolarHBondContact O-N 3.26Å; L528-I531 HydrophobicContact CD1-CG2 4.25Å; L528-I531 WeakPolarHBondContact O-CG2 3.47Å; I531-Y533 PolarHBondContact O-N 3.27Å; I531-R534 PolarHBondContact O-N 3.06Å; I531-T535 HydrophobicContact CD1-CG2 3.72Å; I531-T535 HydrophobicContact CG1-CG2 4.11Å; I531-T535 VanDerWaalsContact O-CB 3.31Å; I531-T535 WeakPolarHBondContact O-CB 3.24Å; I531-T535 WeakPolarHBondContact O-CG2 3.21Å; I531-T535 PolarHBondContact O-N 3.47Å; I531-T535 PolarHBondContact O-OG1 3.2Å
532	L	94.8	Very high	87.4	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-45.6	177.7	-172.5	66.6	0	0	0	111.8	L117 L118 I120 I228 F232 F237 L528 A530 R536	L117-L532 HydrophobicContact CB-CD1 4.42Å; L117-L532 HydrophobicContact CD1-CD2 4.31Å; L118-L532 HydrophobicContact CB-CD1 4.48Å; I120-L532 HydrophobicContact CD1-CB 4.1Å; I120-L532 HydrophobicContact CD1-CD1 3.69Å; I120-L532 HydrophobicContact CG1-CD1 4.18Å; I228-L532 HydrophobicContact CG2-CB 4.38Å; I228-L532 HydrophobicContact CG2-CD2 3.7Å; I228-L532 HydrophobicContact CG2-CG 4.45Å; F232-L532 HydrophobicContact CB-CD2 3.93Å; F232-L532 HydrophobicContact CD2-CD1 4.31Å; F232-L532 HydrophobicContact CD2-CD2 3.43Å; F232-L532 VanDerWaalsContact CD2-CD2 3.43Å; F232-L532 HydrophobicContact CE2-CD1 4.08Å; F232-L532 HydrophobicContact CE2-CD2 4.06Å; F232-L532 HydrophobicContact CG-CD2 3.71Å; F237-L532 HydrophobicContact CE2-CD2 4.43Å; L528-L532 WeakPolarHBondContact O-CB 3.33Å; L528-L532 PolarHBondContact O-N 3.1Å; A530-L532 VanDerWaalsContact C-N 3.33Å; A530-L532 PolarHBondContact O-N 2.98Å; L532-R536 PolarHBondContact O-N 2.69Å; L532-R536 VanDerWaalsContact O-N 3.13Å
533	Y	95.7	Very high	88.1	Confident	49 Å²	49	33.5 Å²	33.5	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-41.8	179.3	-176.1	-101.2	0	0	0	113.2	Y225 I228 F305 L307 G529 A530 I531 T535 R536	Y225-Y533 AromaticContact CE1-CD1 3.68Å; Y225-Y533 HydrophobicContact CE1-CD1 3.68Å; Y225-Y533 AromaticContact CE1-CG 3.87Å; Y225-Y533 HydrophobicContact CE1-CG 3.87Å; I228-Y533 HydrophobicContact CD1-CD2 4.18Å; I228-Y533 HydrophobicContact CD1-CG 4.46Å; F305-Y533 HydrophobicContact CB-CE2 4.08Å; F305-Y533 HydrophobicContact CD2-CE2 4.27Å; F305-Y533 HydrophobicContact CG-CE2 4.39Å; L307-Y533 HydrophobicContact CD2-CD2 3.95Å; G529-Y533 VanDerWaalsContact O-CB 3.27Å; G529-Y533 WeakPolarHBondContact O-CB 3.43Å; G529-Y533 PolarHBondContact O-N 3.38Å; A530-Y533 PolarHBondContact O-N 2.84Å; I531-Y533 PolarHBondContact O-N 3.27Å; Y533-T535 VanDerWaalsContact C-N 3.34Å; Y533-R536 WeakPolarHBondContact O-CG 3.3Å; Y533-R536 PolarHBondContact O-NH1 3.32Å; Y533-R536 VanDerWaalsContact O-NH1 3.09Å
534	R	94.8	Very high	88	Confident	63 Å²	63	38 Å²	38	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-30.2	-179.3	-67.3	-85.3	-178.3	-112.1	5.3	111.9	Y175 E215 Y225 A530 I531	Y175-R534 HydrophobicContact CD1-CG 4.5Å; Y175-R534 HydrophobicContact CE1-CB 4.13Å; Y175-R534 HydrophobicContact CE1-CG 4.19Å; Y175-R534 HydrophobicContact CE2-CB 3.99Å; E215-R534 IonicContact OE1-CZ 2.76Å; E215-R534 IonicContact OE1-NE 3.69Å; E215-R534 IonicContact OE1-NH2 2.77Å; E215-R534 PolarHBondContact OE1-NH2 3.19Å; E215-R534 IonicContact OE2-NH2 3.09Å; Y225-R534 PolarHBondContact OH-NH1 3.36Å; Y225-R534 VanDerWaalsContact OH-NH1 3.13Å; Y225-R534 PolarHBondContact OH-NH2 3.31Å; A530-R534 VanDerWaalsContact O-CB 3.28Å; A530-R534 WeakPolarHBondContact O-CB 3.39Å; A530-R534 WeakPolarHBondContact O-CG 3.33Å; A530-R534 PolarHBondContact O-N 3.2Å; I531-R534 PolarHBondContact O-N 3.06Å
535	T	93.8	Very high	87.4	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.2	179.9	61.3	0	0	0	0	114.3	W107 L118 I531 Y533 F537 L538	W107-T535 HydrophobicContact CH2-CG2 4.17Å; W107-T535 HydrophobicContact CZ2-CG2 4.3Å; L118-T535 WeakPolarHBondContact CD1-O 3.47Å; L118-T535 WeakPolarHBondContact CD1-OG1 3.47Å; I531-T535 HydrophobicContact CD1-CG2 3.72Å; I531-T535 HydrophobicContact CG1-CG2 4.11Å; I531-T535 VanDerWaalsContact O-CB 3.31Å; I531-T535 WeakPolarHBondContact O-CB 3.24Å; I531-T535 WeakPolarHBondContact O-CG2 3.21Å; I531-T535 PolarHBondContact O-N 3.47Å; I531-T535 PolarHBondContact O-OG1 3.2Å; Y533-T535 VanDerWaalsContact C-N 3.34Å; T535-F537 PolarHBondContact O-N 2.9Å; T535-L538 HydrophobicContact CG2-CD1 3.87Å; T535-L538 WeakPolarHBondContact O-CB 3.23Å; T535-L538 WeakPolarHBondContact O-CG 3.37Å; T535-L538 PolarHBondContact O-N 3.42Å
536	R	92.8	Very high	86.6	Confident	55 Å²	55	48.5 Å²	48.5	21%	0.208	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.2	-175.9	77.1	-178.6	-174.2	-78.3	3.3	115.8	N306 C309 L532 Y533 P539	N306-R536 WeakPolarHBondContact O-CD 3.17Å; N306-R536 PolarHBondContact O-NE 3.41Å; C309-R536 WeakPolarHBondContact CA-O 3.46Å; C309-R536 VanDerWaalsContact CB-O 3.28Å; C309-R536 WeakPolarHBondContact CB-O 3.41Å; L532-R536 PolarHBondContact O-N 2.69Å; L532-R536 VanDerWaalsContact O-N 3.13Å; Y533-R536 WeakPolarHBondContact O-CG 3.3Å; Y533-R536 PolarHBondContact O-NH1 3.32Å; Y533-R536 VanDerWaalsContact O-NH1 3.09Å; R536-P539 WeakPolarHBondContact O-CD 3.38Å
537	F	91.6	Very high	84.7	Confident	98 Å²	98	52.7 Å²	52.7	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.8	178.4	-64.3	-57.2	0	0	0	114.3	T535 P539 L540	T535-F537 PolarHBondContact O-N 2.9Å; F537-P539 VanDerWaalsContact C-N 3.33Å; F537-L540 HydrophobicContact CB-CD1 4.31Å; F537-L540 HydrophobicContact CD1-CD1 4.02Å; F537-L540 WeakPolarHBondContact O-CB 3.17Å; F537-L540 PolarHBondContact O-N 3.03Å; F537-L540 VanDerWaalsContact O-N 3.13Å
538	L	90.1	Very high	82.6	Confident	45 Å²	45	58.3 Å²	58.3	24%	0.236	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-57.5	-37.6	177.1	-62.9	-176.5	0	0	0	113.6	W107 L118 T535 L540 R541	W107-L538 HydrophobicContact CZ2-CD1 3.72Å; L118-L538 HydrophobicContact CD1-CB 4.19Å; L118-L538 HydrophobicContact CD1-CD1 4.26Å; T535-L538 HydrophobicContact CG2-CD1 3.87Å; T535-L538 WeakPolarHBondContact O-CB 3.23Å; T535-L538 WeakPolarHBondContact O-CG 3.37Å; T535-L538 PolarHBondContact O-N 3.42Å; L538-L540 PolarHBondContact O-N 3.22Å; L538-R541 WeakPolarHBondContact O-CB 3.35Å; L538-R541 PolarHBondContact O-N 3.01Å
539	P	89.2	Confident	80.4	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.019	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-51.9	-27.9	174.4	-32.3	39.2	0	0	0	115.1	H110 L118 C309 R536 F537 R541 D542 I543	H110-P539 HydrophobicContact CB-CB 4.45Å; L118-P539 HydrophobicContact CD2-CG 3.84Å; L118-P539 HydrophobicContact CG-CG 3.89Å; C309-P539 HydrophobicContact CB-CB 4.05Å; C309-P539 HydrophobicContact CB-CG 4.4Å; R536-P539 WeakPolarHBondContact O-CD 3.38Å; F537-P539 VanDerWaalsContact C-N 3.33Å; P539-R541 PolarHBondContact O-N 3.38Å; P539-R541 VanDerWaalsContact O-N 3.12Å; P539-D542 PolarHBondContact O-N 3.5Å; P539-I543 HydrophobicContact CB-CD1 3.96Å; P539-I543 VanDerWaalsContact O-CG1 3.3Å; P539-I543 WeakPolarHBondContact O-CG1 3.49Å; P539-I543 PolarHBondContact O-N 3.36Å
540	L	87.1	Confident	77.9	Confident	51 Å²	51	68.5 Å²	68.5	27%	0.267	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.3	178.3	-64.4	176.8	0	0	0	113.2	C309 F537 L538 D542 Q545	C309-L540 HydrophobicContact CB-CD2 4.06Å; C309-L540 HydrophobicContact CB-CG 4.11Å; F537-L540 HydrophobicContact CB-CD1 4.31Å; F537-L540 HydrophobicContact CD1-CD1 4.02Å; F537-L540 WeakPolarHBondContact O-CB 3.17Å; F537-L540 PolarHBondContact O-N 3.03Å; F537-L540 VanDerWaalsContact O-N 3.13Å; L538-L540 PolarHBondContact O-N 3.22Å; L540-D542 VanDerWaalsContact C-N 3.32Å; L540-Q545 PolarHBondContact O-OE1 2.98Å
541	R	85.9	Confident	75.4	Confident	194 Å²	194	73.3 Å²	73.3	73%	0.732	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-70.9	-29.1	174.6	-62.9	178.8	177.6	177.5	-0.3	112.7	L538 P539	L538-R541 WeakPolarHBondContact O-CB 3.35Å; L538-R541 PolarHBondContact O-N 3.01Å; P539-R541 PolarHBondContact O-N 3.38Å; P539-R541 VanDerWaalsContact O-N 3.12Å
542	D	82.5	Confident	72.8	Confident	45 Å²	45	81.2 Å²	81.2	24%	0.241	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-24.5	-174.3	-69.6	-48.3	0	0	0	112.9	R109 H110 P539 L540	R109-D542 IonicContact CZ-OD1 2.7Å; R109-D542 VanDerWaalsContact CZ-OD1 3.27Å; R109-D542 IonicContact NE-OD1 3.48Å; R109-D542 PolarHBondContact NE-OD1 3.47Å; R109-D542 IonicContact NH2-OD1 3.87Å; R109-D542 PolarHBondContact NH2-OD1 3.34Å; H110-D542 HydrophobicContact CB-CB 4.13Å; H110-D542 PolarHBondContact N-OD2 3.45Å; P539-D542 PolarHBondContact O-N 3.5Å; L540-D542 VanDerWaalsContact C-N 3.32Å
543	I	80.3	Confident	70.3	Confident	27 Å²	27	85.1 Å²	85.1	14%	0.138	45%	0.447	C	S	.	.	S	Bend	trans	-72.2	127.7	175.1	-64.8	161	0	0	0	108.4	P114 C309 P539 Q545	P114-I543 HydrophobicContact CB-CD1 4.06Å; C309-I543 WeakPolarHBondContact SG-CD1 3.33Å; P539-I543 HydrophobicContact CB-CD1 3.96Å; P539-I543 VanDerWaalsContact O-CG1 3.3Å; P539-I543 WeakPolarHBondContact O-CG1 3.49Å; P539-I543 PolarHBondContact O-N 3.36Å; I543-Q545 PolarHBondContact O-N 2.87Å
544	P	65.2	Low	68	Low	113 Å²	113	89.2 Å²	89.2	73%	0.734	47%	0.468	S	S	*	.			trans	-57.8	99.5	177.6	-22.5	32.2	0	0	0	110.9	E546	P544-E546 PolarHBondContact O-N 3.01Å
545	Q	58.1	Low	65.6	Low	57 Å²	57	95.9 Å²	95.9	27%	0.266	49%	0.493	S	S	.	.			trans	-82.6	96.2	175.5	-91.3	172.2	-31.1	0	0	109.3	L540 I543 S547 L548	L540-Q545 PolarHBondContact O-OE1 2.98Å; I543-Q545 PolarHBondContact O-N 2.87Å; Q545-S547 PolarHBondContact O-N 3.25Å; Q545-L548 HydrophobicContact CB-CB 3.91Å; Q545-L548 VanDerWaalsContact CD-CB 3.48Å; Q545-L548 VanDerWaalsContact CD-CG 3.42Å; Q545-L548 HydrophobicContact CG-CB 4.17Å; Q545-L548 HydrophobicContact CG-CG 4.38Å; Q545-L548 VanDerWaalsContact NE2-CG 3.26Å
546	E	56.9	Low	63.3	Low	189 Å²	189	106.8 Å²	106.8	88%	0.883	53%	0.534	S	S	*	.	S	Bend	trans	-61.5	-17.4	158.2	-65	-149.4	154.3	0	0	111.4	P544	P544-E546 PolarHBondContact O-N 3.01Å
547	S	49.2	Very low	61	Low	98 Å²	98	111.9 Å²	111.9	69%	0.685	56%	0.56	S	S	*	*	S	Bend	trans	-98.8	-19.2	-174.7	62.6	0	0	0	0	117.3	Q545	Q545-S547 PolarHBondContact O-N 3.25Å
548	L	47.7	Very low	58.6	Low	119 Å²	119	110.3 Å²	110.3	62%	0.623	56%	0.561	S	S	*	*			trans	-107.8	14.2	174.3	-76.7	-168.5	0	0	0	113.5	Q545 G550	Q545-L548 HydrophobicContact CB-CB 3.91Å; Q545-L548 VanDerWaalsContact CD-CB 3.48Å; Q545-L548 VanDerWaalsContact CD-CG 3.42Å; Q545-L548 HydrophobicContact CG-CB 4.17Å; Q545-L548 HydrophobicContact CG-CG 4.38Å; Q545-L548 VanDerWaalsContact NE2-CG 3.26Å; L548-G550 PolarHBondContact O-N 2.73Å
549	K	47	Very low	56.3	Low	173 Å²	173	116.3 Å²	116.3	75%	0.752	59%	0.586	S	S	*	*	S	Bend	trans	-58.5	95.4	142.9	-80.2	-179.8	-178.5	170.8	0	104.4	A551	K549-A551 PolarHBondContact O-N 2.59Å; K549-A551 VanDerWaalsContact O-N 3.1Å
550	G	41.4	Very low	54.5	Low	50 Å²	50	120.7 Å²	120.7	52%	0.515	62%	0.616	S	S	.	*			trans	-41.3	129.9	171.8	0	0	0	0	0	105.5	L548 H552	L548-G550 PolarHBondContact O-N 2.73Å; G550-H552 PolarHBondContact O-N 3.1Å
551	A	43.2	Very low	52.6	Low	101 Å²	101	125.7 Å²	125.7	84%	0.835	64%	0.636	S	S	*	*			trans	-56.3	91.1	165.7	0	0	0	0	0	104.3	K549 S553	K549-A551 PolarHBondContact O-N 2.59Å; K549-A551 VanDerWaalsContact O-N 3.1Å; A551-S553 PolarHBondContact O-N 2.81Å
552	H	40.8	Very low	50.8	Low	166 Å²	166	121.4 Å²	121.4	77%	0.769	63%	0.631	S	S	*	*			trans	-57.4	98	157.9	-80.8	-60.2	0	0	0	100.6	G550 H554	G550-H552 PolarHBondContact O-N 3.1Å; H552-H554 VanDerWaalsContact C-N 3.28Å; H552-H554 PolarHBondContact O-N 2.73Å
553	S	44.3	Very low	49.3	Very low	88 Å²	88	125.1 Å²	125.1	62%	0.615	65%	0.651	S	S	*	*			trans	-52.1	112.7	167.7	57.4	0	0	0	0	102.7	A551 W555	A551-S553 PolarHBondContact O-N 2.81Å; S553-W555 PolarHBondContact O-N 2.71Å
554	H	45.4	Very low	48.1	Very low	135 Å²	135	127.8 Å²	127.8	63%	0.625	67%	0.666	S	S	*	*	S	Bend	trans	-66	28	172.5	-99.8	-88.4	0	0	0	110.5	H552 R556 S558	H552-H554 VanDerWaalsContact C-N 3.28Å; H552-H554 PolarHBondContact O-N 2.73Å; H554-R556 PolarHBondContact O-N 3.38Å; H554-S558 PolarHBondContact O-N 3.34Å
555	W	45.5	Very low	47.8	Very low	203 Å²	203	128.8 Å²	128.8	77%	0.769	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	5	-179.8	-104.8	88.2	0	0	0	113.3	S553	S553-W555 PolarHBondContact O-N 2.71Å
556	R	44.9	Very low	48.1	Very low	233 Å²	233	134.5 Å²	134.5	88%	0.879	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	2.6	170.3	-71.6	-167.1	176.4	-173.7	0.1	117	H554	H554-R556 PolarHBondContact O-N 3.38Å
557	H	45.3	Very low	48.8	Very low	161 Å²	161	130.2 Å²	130.2	75%	0.745	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-11.5	171.6	-80.6	-69	0	0	0	115.9
558	S	41	Very low	49.6	Very low	65 Å²	65	133.3 Å²	133.3	46%	0.455	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.6	177.1	-66	0	0	0	0	114.9	H554	H554-S558 PolarHBondContact O-N 3.34Å
559	F	42.2	Very low	50.7	Low	172 Å²	172	130.4 Å²	130.4	75%	0.754	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-0.4	-179.2	-124.1	-85.9	0	0	0	115.3
560	S	50.8	Low	52.2	Low	94 Å²	94	124.4 Å²	124.4	66%	0.657	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-25.7	-177.4	-172.2	0	0	0	0	115.3
561	F	46	Very low	54	Low	157 Å²	157	125.2 Å²	125.2	69%	0.689	63%	0.633	S	S	*	*	S	Bend	trans	-92.7	-41.6	-173.6	-153.2	-98.8	0	0	0	114	N563 N564	F561-N563 PolarHBondContact O-N 3.41Å; F561-N564 PolarHBondContact O-N 3.49Å
562	V	49.8	Very low	55.9	Low	103 Å²	103	127.3 Å²	127.3	62%	0.624	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-27.4	-172.7	-169.5	0	0	0	0	112.4
563	N	51.1	Low	57.9	Low	123 Å²	123	125.9 Å²	125.9	66%	0.658	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-7.3	178.4	-141.1	22.6	0	0	0	113.8	F561	F561-N563 PolarHBondContact O-N 3.41Å
564	N	54.3	Low	60	Low	83 Å²	83	126.9 Å²	126.9	44%	0.444	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.8	-20.9	-178.1	-154.7	11.2	0	0	0	113	F561 Y566 L567 F568	F561-N564 PolarHBondContact O-N 3.49Å; N564-Y566 VanDerWaalsContact C-N 3.32Å; N564-Y566 PolarHBondContact O-N 3.49Å; N564-L567 PolarHBondContact O-N 3.45Å; N564-F568 PolarHBondContact O-N 3.05Å
565	H	59.3	Low	62.1	Low	134 Å²	134	124.5 Å²	124.5	62%	0.62	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-24.1	179.1	-110.9	44.3	0	0	0	114	P569	H565-P569 WeakPolarHBondContact O-CD 3.13Å; H565-P569 WeakPolarHBondContact O-CG 3.1Å
566	Y	64.9	Low	64	Low	178 Å²	178	118.2 Å²	118.2	70%	0.698	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-19.2	175.4	-62.7	-74	0	0	0	113.2	N564 A570	N564-Y566 VanDerWaalsContact C-N 3.32Å; N564-Y566 PolarHBondContact O-N 3.49Å; Y566-A570 WeakPolarHBondContact O-CB 2.94Å; Y566-A570 PolarHBondContact O-N 3.43Å
567	L	70.6	Confident	66.1	Low	99 Å²	99	112 Å²	112	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-69.8	-44.3	178.4	-152.4	94.1	0	0	0	111.5	N564 A570 C571	N564-L567 PolarHBondContact O-N 3.45Å; L567-A570 PolarHBondContact O-N 3.32Å; L567-C571 WeakPolarHBondContact O-CB 3.36Å; L567-C571 PolarHBondContact O-N 3.48Å; L567-C571 PolarHBondContact O-SG 3.25Å
568	F	66.7	Low	68.1	Low	163 Å²	163	107.6 Å²	107.6	72%	0.715	56%	0.559	S	S	*	*	H	α-helix	trans	-63.8	-47.8	179.5	-125.9	-87.6	0	0	0	113.1	N564 F572	N564-F568 PolarHBondContact O-N 3.05Å; F568-F572 WeakPolarHBondContact O-CB 3.22Å; F568-F572 PolarHBondContact O-N 2.95Å
569	P	70.6	Confident	70.4	Confident	57 Å²	57	108.6 Å²	108.6	37%	0.37	56%	0.558	S	S	.	*	H	α-helix	trans	-62.9	-40.9	172.7	-21.7	32.3	0	0	0	112.6	H565 F572 F573	H565-P569 WeakPolarHBondContact O-CD 3.13Å; H565-P569 WeakPolarHBondContact O-CG 3.1Å; P569-F572 WeakPolarHBondContact O-CB 3.39Å; P569-F572 PolarHBondContact O-N 2.87Å; P569-F573 WeakPolarHBondContact O-CD2 3.27Å; P569-F573 PolarHBondContact O-N 3.32Å
570	A	77.7	Confident	72.5	Confident	47 Å²	47	104.2 Å²	104.2	39%	0.388	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-45	178.6	0	0	0	0	0	111.9	Y566 L567 F572 F573 I574	Y566-A570 WeakPolarHBondContact O-CB 2.94Å; Y566-A570 PolarHBondContact O-N 3.43Å; L567-A570 PolarHBondContact O-N 3.32Å; A570-F572 VanDerWaalsContact C-N 3.34Å; A570-F572 PolarHBondContact O-N 2.98Å; A570-F573 PolarHBondContact O-N 2.87Å; A570-I574 VanDerWaalsContact O-CG1 3.29Å; A570-I574 WeakPolarHBondContact O-CG1 3.49Å; A570-I574 PolarHBondContact O-N 2.86Å
571	C	79.8	Confident	74.3	Confident	68 Å²	68	104.6 Å²	104.6	46%	0.459	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-40.7	173.5	-71.3	0	0	0	0	111.7	L567 I574 V575	L567-C571 WeakPolarHBondContact O-CB 3.36Å; L567-C571 PolarHBondContact O-N 3.48Å; L567-C571 PolarHBondContact O-SG 3.25Å; C571-I574 PolarHBondContact O-N 3.45Å; C571-V575 WeakPolarHBondContact O-CG2 3.37Å; C571-V575 PolarHBondContact O-N 2.88Å
572	F	82.3	Confident	76.2	Confident	144 Å²	144	103.8 Å²	103.8	63%	0.632	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-43.7	175.6	-170.7	-92.7	0	0	0	111.9	F568 P569 A570 V575 L576	F568-F572 WeakPolarHBondContact O-CB 3.22Å; F568-F572 PolarHBondContact O-N 2.95Å; P569-F572 WeakPolarHBondContact O-CB 3.39Å; P569-F572 PolarHBondContact O-N 2.87Å; A570-F572 VanDerWaalsContact C-N 3.34Å; A570-F572 PolarHBondContact O-N 2.98Å; F572-V575 PolarHBondContact O-N 3.35Å; F572-L576 VanDerWaalsContact O-CB 3.27Å; F572-L576 WeakPolarHBondContact O-CB 3.27Å; F572-L576 PolarHBondContact O-N 2.99Å
573	F	83.8	Confident	77.8	Confident	136 Å²	136	103.2 Å²	103.2	60%	0.596	52%	0.522	S	S	*	.	H	α-helix	trans	-65.4	-38.7	176.2	-87.8	-70	0	0	0	112.8	P569 A570 L576 L577	P569-F573 WeakPolarHBondContact O-CD2 3.27Å; P569-F573 PolarHBondContact O-N 3.32Å; A570-F573 PolarHBondContact O-N 2.87Å; F573-L576 PolarHBondContact O-N 3.33Å; F573-L577 VanDerWaalsContact O-CB 3.26Å; F573-L577 WeakPolarHBondContact O-CB 3.29Å; F573-L577 PolarHBondContact O-N 2.95Å
574	I	88.3	Confident	79.3	Confident	109 Å²	109	101.5 Å²	101.5	56%	0.559	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-42.2	177	-69.2	167.5	0	0	0	111.1	A570 C571 L577 S578	A570-I574 VanDerWaalsContact O-CG1 3.29Å; A570-I574 WeakPolarHBondContact O-CG1 3.49Å; A570-I574 PolarHBondContact O-N 2.86Å; C571-I574 PolarHBondContact O-N 3.45Å; I574-L577 PolarHBondContact O-N 3.32Å; I574-S578 WeakPolarHBondContact O-CB 3.26Å; I574-S578 PolarHBondContact O-N 3.5Å; I574-S578 PolarHBondContact O-OG 3.46Å
575	V	88.4	Confident	80.6	Confident	85 Å²	85	105.6 Å²	105.6	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-67.3	-43.9	176.8	172.7	0	0	0	0	110.4	C571 F572 L577 S578 I579	C571-V575 WeakPolarHBondContact O-CG2 3.37Å; C571-V575 PolarHBondContact O-N 2.88Å; F572-V575 PolarHBondContact O-N 3.35Å; V575-L577 PolarHBondContact O-N 2.87Å; V575-S578 WeakPolarHBondContact O-CB 3.33Å; V575-S578 PolarHBondContact O-N 3.42Å; V575-I579 HydrophobicContact CG1-CD1 3.84Å; V575-I579 HydrophobicContact CG1-CG1 4.43Å; V575-I579 VanDerWaalsContact O-CG1 3.31Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.49Å
576	L	86.6	Confident	81.4	Confident	72 Å²	72	102 Å²	102	38%	0.377	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-45.1	176.3	-167.7	81.8	0	0	0	111.4	F572 F573 S578 I579 I580	F572-L576 VanDerWaalsContact O-CB 3.27Å; F572-L576 WeakPolarHBondContact O-CB 3.27Å; F572-L576 PolarHBondContact O-N 2.99Å; F573-L576 PolarHBondContact O-N 3.33Å; L576-S578 VanDerWaalsContact C-N 3.32Å; L576-S578 PolarHBondContact O-N 2.76Å; L576-I579 PolarHBondContact O-N 3.26Å; L576-I580 HydrophobicContact CD2-CD1 4.34Å; L576-I580 HydrophobicContact CG-CD1 4.09Å; L576-I580 WeakPolarHBondContact O-CB 3.27Å; L576-I580 VanDerWaalsContact O-CG1 3.27Å; L576-I580 WeakPolarHBondContact O-CG1 3.23Å; L576-I580 PolarHBondContact O-N 3.2Å
577	L	89.4	Confident	81.9	Confident	103 Å²	103	102.3 Å²	102.3	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-41.8	176.6	-168.7	78.1	0	0	0	111	F573 I574 V575 I580 L581	F573-L577 VanDerWaalsContact O-CB 3.26Å; F573-L577 WeakPolarHBondContact O-CB 3.29Å; F573-L577 PolarHBondContact O-N 2.95Å; I574-L577 PolarHBondContact O-N 3.32Å; V575-L577 PolarHBondContact O-N 2.87Å; L577-I580 PolarHBondContact O-N 3.48Å; L577-L581 HydrophobicContact CD2-CD1 4.48Å; L577-L581 HydrophobicContact CG-CD1 4.17Å; L577-L581 WeakPolarHBondContact O-CB 3.36Å; L577-L581 VanDerWaalsContact O-CG 3.25Å; L577-L581 WeakPolarHBondContact O-CG 3.38Å; L577-L581 PolarHBondContact O-N 3.45Å
578	S	87.2	Confident	81.9	Confident	67 Å²	67	106.3 Å²	106.3	47%	0.469	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-41.5	177.1	-59.4	0	0	0	0	112	I574 V575 L576 L581 Y582	I574-S578 WeakPolarHBondContact O-CB 3.26Å; I574-S578 PolarHBondContact O-N 3.5Å; I574-S578 PolarHBondContact O-OG 3.46Å; V575-S578 WeakPolarHBondContact O-CB 3.33Å; V575-S578 PolarHBondContact O-N 3.42Å; L576-S578 VanDerWaalsContact C-N 3.32Å; L576-S578 PolarHBondContact O-N 2.76Å; S578-L581 PolarHBondContact O-N 2.86Å; S578-Y582 VanDerWaalsContact O-CB 3.23Å; S578-Y582 WeakPolarHBondContact O-CB 3.23Å; S578-Y582 PolarHBondContact O-N 2.82Å
579	I	88.1	Confident	82.1	Confident	86 Å²	86	102.3 Å²	102.3	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-45.5	174.4	-68.6	167.1	0	0	0	110.5	V575 L576 L581 Y582 L583	V575-I579 HydrophobicContact CG1-CD1 3.84Å; V575-I579 HydrophobicContact CG1-CG1 4.43Å; V575-I579 VanDerWaalsContact O-CG1 3.31Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.49Å; L576-I579 PolarHBondContact O-N 3.26Å; I579-L581 PolarHBondContact O-N 3.31Å; I579-Y582 PolarHBondContact O-N 2.87Å; I579-L583 HydrophobicContact CG2-CD1 3.87Å; I579-L583 HydrophobicContact CG2-CG 4.27Å; I579-L583 WeakPolarHBondContact O-CB 3.41Å; I579-L583 VanDerWaalsContact O-CG 3.27Å; I579-L583 WeakPolarHBondContact O-CG 3.31Å; I579-L583 PolarHBondContact O-N 3.46Å
580	I	86.6	Confident	81.7	Confident	80 Å²	80	106 Å²	106	41%	0.41	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-46.2	177.6	-70.4	167.7	0	0	0	110.5	L576 L577 Y582 L583 L584	L576-I580 HydrophobicContact CD2-CD1 4.34Å; L576-I580 HydrophobicContact CG-CD1 4.09Å; L576-I580 WeakPolarHBondContact O-CB 3.27Å; L576-I580 VanDerWaalsContact O-CG1 3.27Å; L576-I580 WeakPolarHBondContact O-CG1 3.23Å; L576-I580 PolarHBondContact O-N 3.2Å; L577-I580 PolarHBondContact O-N 3.48Å; I580-Y582 VanDerWaalsContact C-N 3.32Å; I580-Y582 PolarHBondContact O-N 2.84Å; I580-L583 PolarHBondContact O-N 2.89Å; I580-L584 HydrophobicContact CG2-CD1 3.85Å; I580-L584 HydrophobicContact CG2-CG 4.3Å; I580-L584 WeakPolarHBondContact O-CB 3.48Å; I580-L584 VanDerWaalsContact O-CG 3.23Å; I580-L584 WeakPolarHBondContact O-CG 3.48Å; I580-L584 PolarHBondContact O-N 2.82Å
581	L	87.8	Confident	80.9	Confident	102 Å²	102	113 Å²	113	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-38.6	176.8	-71.5	172.6	0	0	0	111.8	L577 S578 I579 L584 R585	L577-L581 HydrophobicContact CD2-CD1 4.48Å; L577-L581 HydrophobicContact CG-CD1 4.17Å; L577-L581 WeakPolarHBondContact O-CB 3.36Å; L577-L581 VanDerWaalsContact O-CG 3.25Å; L577-L581 WeakPolarHBondContact O-CG 3.38Å; L577-L581 PolarHBondContact O-N 3.45Å; S578-L581 PolarHBondContact O-N 2.86Å; I579-L581 PolarHBondContact O-N 3.31Å; L581-L584 PolarHBondContact O-N 2.85Å; L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.25Å; L581-R585 PolarHBondContact O-N 2.8Å
582	Y	86.6	Confident	79.8	Confident	141 Å²	141	118.5 Å²	118.5	55%	0.553	54%	0.54	S	S	*	.	H	α-helix	trans	-65.6	-43.6	174.8	-178.2	-107.7	0	0	0	112	S578 I579 I580 R585 L586	S578-Y582 VanDerWaalsContact O-CB 3.23Å; S578-Y582 WeakPolarHBondContact O-CB 3.23Å; S578-Y582 PolarHBondContact O-N 2.82Å; I579-Y582 PolarHBondContact O-N 2.87Å; I580-Y582 VanDerWaalsContact C-N 3.32Å; I580-Y582 PolarHBondContact O-N 2.84Å; Y582-R585 WeakPolarHBondContact O-CB 3.38Å; Y582-R585 PolarHBondContact O-N 2.8Å; Y582-L586 HydrophobicContact CD1-CD1 3.67Å; Y582-L586 HydrophobicContact CE1-CD1 3.2Å; Y582-L586 HydrophobicContact CE1-CG 4.24Å; Y582-L586 HydrophobicContact CE2-CD1 4.38Å; Y582-L586 HydrophobicContact CG-CD1 4.42Å; Y582-L586 WeakPolarHBondContact O-CB 3.43Å; Y582-L586 PolarHBondContact O-N 3.3Å
583	L	83.6	Confident	78.5	Confident	90 Å²	90	115.8 Å²	115.8	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-36.5	175.4	-70.2	175	0	0	0	112.4	I579 I580 L586 R587	I579-L583 HydrophobicContact CG2-CD1 3.87Å; I579-L583 HydrophobicContact CG2-CG 4.27Å; I579-L583 WeakPolarHBondContact O-CB 3.41Å; I579-L583 VanDerWaalsContact O-CG 3.27Å; I579-L583 WeakPolarHBondContact O-CG 3.31Å; I579-L583 PolarHBondContact O-N 3.46Å; I580-L583 PolarHBondContact O-N 2.89Å; L583-L586 HydrophobicContact CD2-CD1 4.49Å; L583-L586 PolarHBondContact O-N 3.46Å; L583-R587 WeakPolarHBondContact O-CB 3.33Å; L583-R587 PolarHBondContact O-N 3.27Å
584	L	82.1	Confident	77	Confident	88 Å²	88	113 Å²	113	46%	0.461	54%	0.537	S	S	.	.	H	α-helix	trans	-68.4	-37	173	-72.9	173.3	0	0	0	111.6	I580 L581 R587 R588	I580-L584 HydrophobicContact CG2-CD1 3.85Å; I580-L584 HydrophobicContact CG2-CG 4.3Å; I580-L584 WeakPolarHBondContact O-CB 3.48Å; I580-L584 VanDerWaalsContact O-CG 3.23Å; I580-L584 WeakPolarHBondContact O-CG 3.48Å; I580-L584 PolarHBondContact O-N 2.82Å; L581-L584 PolarHBondContact O-N 2.85Å; L584-R587 PolarHBondContact O-N 3.46Å; L584-R588 WeakPolarHBondContact O-CB 3.49Å; L584-R588 PolarHBondContact O-N 3.45Å
585	R	81.7	Confident	75.2	Confident	168 Å²	168	115.9 Å²	115.9	63%	0.634	55%	0.548	S	S	*	.	H	α-helix	trans	-65.8	-44.7	172.3	-172.2	179.5	-179.3	-145.6	0.5	111	L581 Y582 R588 I589	L581-R585 VanDerWaalsContact O-CB 3.27Å; L581-R585 WeakPolarHBondContact O-CB 3.25Å; L581-R585 PolarHBondContact O-N 2.8Å; Y582-R585 WeakPolarHBondContact O-CB 3.38Å; Y582-R585 PolarHBondContact O-N 2.8Å; R585-R588 PolarHBondContact O-N 3.22Å; R585-I589 HydrophobicContact CG-CD1 4.03Å; R585-I589 VanDerWaalsContact O-CG1 3.27Å; R585-I589 WeakPolarHBondContact O-CG1 3.27Å; R585-I589 PolarHBondContact O-N 2.74Å
586	L	76.6	Confident	73.2	Confident	60 Å²	60	122 Å²	122	31%	0.314	56%	0.562	S	S	.	*	H	α-helix	trans	-61.6	-41.9	173.3	-89.5	163.4	0	0	0	111.9	Y582 L583 I589 H590	Y582-L586 HydrophobicContact CD1-CD1 3.67Å; Y582-L586 HydrophobicContact CE1-CD1 3.2Å; Y582-L586 HydrophobicContact CE1-CG 4.24Å; Y582-L586 HydrophobicContact CE2-CD1 4.38Å; Y582-L586 HydrophobicContact CG-CD1 4.42Å; Y582-L586 WeakPolarHBondContact O-CB 3.43Å; Y582-L586 PolarHBondContact O-N 3.3Å; L583-L586 HydrophobicContact CD2-CD1 4.49Å; L583-L586 PolarHBondContact O-N 3.46Å; L586-I589 PolarHBondContact O-N 3.01Å; L586-H590 WeakPolarHBondContact O-CB 3.42Å; L586-H590 PolarHBondContact O-N 3.25Å
587	R	74.6	Confident	71	Confident	184 Å²	184	127.8 Å²	127.8	69%	0.694	58%	0.58	S	S	*	*	H	α-helix	trans	-64.6	-36.7	173.1	-85.6	-178	173.3	177.3	-0.7	112.6	L583 L584 R591	L583-R587 WeakPolarHBondContact O-CB 3.33Å; L583-R587 PolarHBondContact O-N 3.27Å; L584-R587 PolarHBondContact O-N 3.46Å; R587-R591 WeakPolarHBondContact O-CB 3.11Å; R587-R591 WeakPolarHBondContact O-CG 3.27Å; R587-R591 PolarHBondContact O-N 2.86Å
588	R	71.6	Confident	68.4	Low	182 Å²	182	129.3 Å²	129.3	69%	0.687	59%	0.594	S	S	*	*	H	α-helix	trans	-66.8	-39.2	172.2	-85.2	-176.3	-176.3	173.8	2.3	111.9	L584 R585 R592	L584-R588 WeakPolarHBondContact O-CB 3.49Å; L584-R588 PolarHBondContact O-N 3.45Å; R585-R588 PolarHBondContact O-N 3.22Å; R588-R592 WeakPolarHBondContact O-CB 3.36Å; R588-R592 WeakPolarHBondContact O-CG 3.27Å; R588-R592 PolarHBondContact O-N 2.84Å
589	I	70.4	Confident	66.3	Low	79 Å²	79	131.4 Å²	131.4	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-69	-46.3	176.5	-67.4	165.9	0	0	0	110	R585 L586 R591 R592 V593	R585-I589 HydrophobicContact CG-CD1 4.03Å; R585-I589 VanDerWaalsContact O-CG1 3.27Å; R585-I589 WeakPolarHBondContact O-CG1 3.27Å; R585-I589 PolarHBondContact O-N 2.74Å; L586-I589 PolarHBondContact O-N 3.01Å; I589-R591 PolarHBondContact O-N 3.4Å; I589-R592 CarbonylContact O-C 3.47Å; I589-R592 PolarHBondContact O-N 2.77Å; I589-R592 VanDerWaalsContact O-N 3.13Å; I589-V593 HydrophobicContact CG2-CG2 4.29Å; I589-V593 WeakPolarHBondContact O-CB 3.35Å; I589-V593 VanDerWaalsContact O-CG2 3.27Å; I589-V593 WeakPolarHBondContact O-CG2 3.48Å; I589-V593 PolarHBondContact O-N 2.83Å
590	H	63.3	Low	63.6	Low	134 Å²	134	133.1 Å²	133.1	62%	0.62	63%	0.626	S	S	*	*	H	α-helix	trans	-62.5	-36.6	173.8	-95.1	-126.2	0	0	0	112.6	L586 V593 A594	L586-H590 WeakPolarHBondContact O-CB 3.42Å; L586-H590 PolarHBondContact O-N 3.25Å; H590-V593 PolarHBondContact O-N 3.43Å; H590-A594 WeakPolarHBondContact O-CB 3.44Å; H590-A594 PolarHBondContact O-N 3.43Å
591	R	59.7	Low	61.1	Low	196 Å²	196	134.8 Å²	134.8	74%	0.74	65%	0.645	S	S	*	*	H	α-helix	trans	-66	-37.5	171.6	-83.9	-174.9	177.4	-174.3	-0.5	112.5	R587 I589 Q595	R587-R591 WeakPolarHBondContact O-CB 3.11Å; R587-R591 WeakPolarHBondContact O-CG 3.27Å; R587-R591 PolarHBondContact O-N 2.86Å; I589-R591 PolarHBondContact O-N 3.4Å; R591-Q595 WeakPolarHBondContact O-CG 3.48Å; R591-Q595 PolarHBondContact O-N 3.15Å; R591-Q595 VanDerWaalsContact O-N 3.15Å
592	R	57.6	Low	58.6	Low	182 Å²	182	135.7 Å²	135.7	69%	0.687	65%	0.654	S	S	*	*	H	α-helix	trans	-72.6	-28.3	175.3	-74.8	179.5	-176.3	-176.4	0.4	113.1	R588 I589	R588-R592 WeakPolarHBondContact O-CB 3.36Å; R588-R592 WeakPolarHBondContact O-CG 3.27Å; R588-R592 PolarHBondContact O-N 2.84Å; I589-R592 CarbonylContact O-C 3.47Å; I589-R592 PolarHBondContact O-N 2.77Å; I589-R592 VanDerWaalsContact O-N 3.13Å
593	V	55.4	Low	56.6	Low	88 Å²	88	134.3 Å²	134.3	53%	0.533	66%	0.662	S	S	.	*	H	α-helix	trans	-84.1	-35.2	176.4	173.8	0	0	0	0	111.3	I589 H590 Q595 R596	I589-V593 HydrophobicContact CG2-CG2 4.29Å; I589-V593 WeakPolarHBondContact O-CB 3.35Å; I589-V593 VanDerWaalsContact O-CG2 3.27Å; I589-V593 WeakPolarHBondContact O-CG2 3.48Å; I589-V593 PolarHBondContact O-N 2.83Å; H590-V593 PolarHBondContact O-N 3.43Å; V593-Q595 VanDerWaalsContact C-N 3.28Å; V593-Q595 PolarHBondContact O-N 3.1Å; V593-R596 PolarHBondContact O-N 3.13Å; V593-R596 VanDerWaalsContact O-N 3.1Å
594	A	50.5	Low	54.3	Low	77 Å²	77	140.3 Å²	140.3	64%	0.636	68%	0.679	S	S	*	*	H	α-helix	trans	-71.9	-18.2	172.8	0	0	0	0	0	113.5	H590 R596	H590-A594 WeakPolarHBondContact O-CB 3.44Å; H590-A594 PolarHBondContact O-N 3.43Å; A594-R596 VanDerWaalsContact C-N 3.31Å
595	Q	50.7	Low	51.9	Low	169 Å²	169	142.4 Å²	142.4	79%	0.79	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-5.1	168	-84.2	-179.6	-31.6	0	0	113.8	R591 V593	R591-Q595 WeakPolarHBondContact O-CG 3.48Å; R591-Q595 PolarHBondContact O-N 3.15Å; R591-Q595 VanDerWaalsContact O-N 3.15Å; V593-Q595 VanDerWaalsContact C-N 3.28Å; V593-Q595 PolarHBondContact O-N 3.1Å
596	R	47.9	Very low	49.7	Very low	214 Å²	214	141.8 Å²	141.8	81%	0.808	69%	0.694	S	S	*	*	S	Bend	trans	-108.5	5.6	-178	-82	-172.2	-173.3	174	1.3	115.2	V593 A594	V593-R596 PolarHBondContact O-N 3.13Å; V593-R596 VanDerWaalsContact O-N 3.1Å; A594-R596 VanDerWaalsContact C-N 3.31Å
597	Y	39.7	Very low	47.7	Very low	193 Å²	193	147.5 Å²	147.5	76%	0.757	72%	0.719	S	S	*	*	S	Bend	trans	-136.7	130	175.7	-96	-89	0	0	0	112.5
598	T	35.5	Very low	45.7	Very low	135 Å²	135	142 Å²	142	83%	0.828	72%	0.72	S	S	*	*			trans	101.4	147.3	164.9	72.5	0	0	0	0	116.4
599	P	42.8	Very low	43.8	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	73%	0.731	S	S	*	*				-129.6	-173.8	-102.3	24.1	2.3	0	0	0	112.5
600	S	31.9	Very low	42	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	75%	0.749	S	S	*	*			trans	75.3	131.1	173.7	75.4	0	0	0	0	114.7
601	S	33.2	Very low	40.7	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	76%	0.756	S	S	*	*			cis	-158.9	141	33.4	47.7	0	0	0	0	112.1
602	V	36.3	Very low	40.7	Very low	120 Å²	120	137.5 Å²	137.5	73%	0.727	76%	0.757	S	S	*	*			trans	-76.8	142.4	165.9	177	0	0	0	0	107.9
603	P	43.4	Very low	39.6	Very low	112 Å²	112	133.9 Å²	133.9	73%	0.727	76%	0.759	S	S	*	*				-150.6	139.3	85.5	32.8	-9.4	0	0	0	119.1
604	W	36.3	Very low	38.8	Very low	217 Å²	217	136.3 Å²	136.3	82%	0.822	77%	0.768	S	S	*	*			trans	29.4	132.5	135.7	-64.1	87.4	0	0	0	121.8
605	L	31.7	Very low	38.8	Very low	131 Å²	131	138.1 Å²	138.1	69%	0.686	77%	0.773	S	S	*	*				-178.7	141.3	88.5	-144.6	81	0	0	0	111.6
606	E	35.5	Very low	38.4	Very low	155 Å²	155	135.7 Å²	135.7	72%	0.724	77%	0.765	S	S	*	*			trans	39.8	140	146.4	-72.9	166.3	171.7	0	0	120.8
607	E	33.6	Very low	37.7	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	76%	0.763	S	S	*	*			cis	-175.6	141.9	46.6	-146.4	170.6	-165.5	0	0	110.6
608	G	31.9	Very low	37.8	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	79%	0.785	S	S	*	*			trans	69	147.2	153.2	0	0	0	0	0	119.9
609	L	32.4	Very low	37.9	Very low	175 Å²	175	134.3 Å²	134.3	92%	0.916	78%	0.783	S	S	*	*			cis	-170.8	154.3	1.5	-107.3	159	0	0	0	106.6
610	A	31.9	Very low	37.6	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	79%	0.786	S	S	*	*			trans	84.9	100.8	154	0	0	0	0	0	121.5
611	S	37.7	Very low	37.9	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	78%	0.782	S	S	*	*			trans	-39.1	-175	143.2	-31.8	0	0	0	0	116.9
612	P	58.6	Low	38.2	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	78%	0.781	S	S	*	*				-136.6	-173.7	-69.7	39.8	-20.3	0	0	0	112
613	S	35	Very low	38.3	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	79%	0.785	S	S	*	*			trans	136.3	115.4	139.8	64.1	0	0	0	0	114.9
614	L	38.9	Very low	38	Very low	139 Å²	139	140.3 Å²	140.3	73%	0.728	79%	0.788	S	S	*	*				23.8	158.9	124.4	-70.5	159.8	0	0	0	119.7	I616	L614-I616 HydrophobicContact CD2-CB 4.47Å; L614-I616 HydrophobicContact CD2-CD1 3.42Å; L614-I616 VanDerWaalsContact CD2-CD1 3.42Å; L614-I616 HydrophobicContact CD2-CG1 3.67Å
615	P	50.6	Low	38.1	Very low	115 Å²	115	134.9 Å²	134.9	75%	0.747	79%	0.786	S	S	*	*			cis	-128.2	160.7	13.8	24.1	0.9	0	0	0	112.8
616	I	40.8	Very low	38.6	Very low	119 Å²	119	135.2 Å²	135.2	61%	0.61	79%	0.794	S	S	*	*				67.2	121.6	59.7	-64	-174.2	0	0	0	115.4	L614	L614-I616 HydrophobicContact CD2-CB 4.47Å; L614-I616 HydrophobicContact CD2-CD1 3.42Å; L614-I616 VanDerWaalsContact CD2-CD1 3.42Å; L614-I616 HydrophobicContact CD2-CG1 3.67Å
617	N	35.1	Very low	38.9	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	80%	0.799	S	S	*	*			trans	75.7	136.6	156.4	-71.1	-9.9	0	0	0	117.7
618	L	39.9	Very low	39.3	Very low	236 Å²	236	129.2 Å²	129.2	100%	1.236	80%	0.795	S	S	*	*			cis	-143.8	0	22.4	-110.8	137.9	0	0	0	110.9

Retrieved 618 of 618 residues in 292.7 ms (Link to these results)

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