A0A5K4F808_SCHMA Loading...

Centrosomal protein of 76 kDa AlphaSync

Centrosomal protein involved in regulation of centriole duplication. Required to limit centriole duplication to once per cell cycle by preventing centriole reduplication.

AlphaFold DB , UniProt , Accession A0A5K4F808, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	35	Very low	176 Å²	176	120.1 Å²	120.1	87%	0.867	60%	0.595	S	S	*	*				0	-49.3	0	-113.8	-144.7	-76.4	0	0	114.2	S4 K5	M1-S4 WeakPolarHBondContact CA-OG 3.24Å; M1-S4 CarbonylContact O-C 3.53Å; M1-S4 PolarHBondContact O-N 3.24Å; M1-S4 PolarHBondContact O-OG 3.21Å; M1-K5 WeakPolarHBondContact O-CB 3.09Å; M1-K5 PolarHBondContact O-N 2.85Å
2	L	34.8	Very low	34.7	Very low	78 Å²	78	117.8 Å²	117.8	41%	0.408	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-43.7	175.4	-148.7	114.1	0	0	0	111.6	S4 K5 I6 V169	L2-S4 VanDerWaalsContact C-N 3.25Å; L2-S4 PolarHBondContact O-N 2.97Å; L2-K5 PolarHBondContact O-N 2.96Å; L2-I6 HydrophobicContact CD2-CD1 3.95Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.33Å; L2-I6 PolarHBondContact O-N 3.08Å; L2-V169 HydrophobicContact CD1-CG1 3.89Å
3	V	35.6	Very low	34.2	Very low	84 Å²	84	119.5 Å²	119.5	51%	0.509	61%	0.611	S	S	.	*	H	α-helix	trans	-57	-36.7	171.3	-179.5	0	0	0	0	112.2	K7	V3-K7 WeakPolarHBondContact O-CG 3.27Å; V3-K7 PolarHBondContact O-N 3.18Å
4	S	36.3	Very low	33.7	Very low	60 Å²	60	120.7 Å²	120.7	42%	0.42	62%	0.617	S	S	.	*	H	α-helix	trans	-84.1	-30.1	178	61.8	0	0	0	0	113.3	M1 L2 K7 S8	M1-S4 WeakPolarHBondContact CA-OG 3.24Å; M1-S4 CarbonylContact O-C 3.53Å; M1-S4 PolarHBondContact O-N 3.24Å; M1-S4 PolarHBondContact O-OG 3.21Å; L2-S4 VanDerWaalsContact C-N 3.25Å; L2-S4 PolarHBondContact O-N 2.97Å; S4-K7 CarbonylContact O-C 3.56Å; S4-K7 PolarHBondContact O-N 3.22Å; S4-S8 VanDerWaalsContact O-CB 3.27Å; S4-S8 WeakPolarHBondContact O-CB 3.36Å; S4-S8 PolarHBondContact O-N 3.32Å; S4-S8 PolarHBondContact O-OG 3.19Å
5	K	34.6	Very low	33.1	Very low	142 Å²	142	126.4 Å²	126.4	62%	0.617	64%	0.636	S	S	*	*	H	α-helix	trans	-70.3	-31.8	174.1	-115.1	174.5	176	175.2	0	112.1	M1 L2 S8 K9	M1-K5 WeakPolarHBondContact O-CB 3.09Å; M1-K5 PolarHBondContact O-N 2.85Å; L2-K5 PolarHBondContact O-N 2.96Å; K5-S8 WeakPolarHBondContact CA-OG 3.43Å; K5-K9 PolarHBondContact O-N 2.81Å
6	I	38	Very low	32.7	Very low	85 Å²	85	125.9 Å²	125.9	44%	0.436	65%	0.648	S	S	.	*	H	α-helix	trans	-71	-37.4	171.5	-64	165.1	0	0	0	109.9	L2 M33	L2-I6 HydrophobicContact CD2-CD1 3.95Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.33Å; L2-I6 PolarHBondContact O-N 3.08Å; I6-M33 HydrophobicContact CB-CE 3.9Å; I6-M33 HydrophobicContact CD1-CE 3.57Å; I6-M33 HydrophobicContact CG1-CE 4.31Å; I6-M33 HydrophobicContact CG2-CE 3.45Å; I6-M33 VanDerWaalsContact CG2-CE 3.45Å
7	K	37.4	Very low	32	Very low	152 Å²	152	132.6 Å²	132.6	66%	0.661	66%	0.663	S	S	*	*	H	α-helix	trans	-70.1	-33	171	-72.5	-178.9	177.2	-173.1	0	114	V3 S4	V3-K7 WeakPolarHBondContact O-CG 3.27Å; V3-K7 PolarHBondContact O-N 3.18Å; S4-K7 CarbonylContact O-C 3.56Å; S4-K7 PolarHBondContact O-N 3.22Å
8	S	32	Very low	31.4	Very low	62 Å²	62	131.2 Å²	131.2	43%	0.434	67%	0.667	S	S	.	*	H	α-helix	trans	-87.3	-18.5	-172.5	75.8	0	0	0	0	114.2	S4 K5 E10 Q11	S4-S8 VanDerWaalsContact O-CB 3.27Å; S4-S8 WeakPolarHBondContact O-CB 3.36Å; S4-S8 PolarHBondContact O-N 3.32Å; S4-S8 PolarHBondContact O-OG 3.19Å; K5-S8 WeakPolarHBondContact CA-OG 3.43Å; S8-E10 PolarHBondContact O-N 3.17Å; S8-Q11 PolarHBondContact O-N 2.8Å
9	K	32.7	Very low	31	Very low	179 Å²	179	133.4 Å²	133.4	78%	0.778	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-7.6	170.3	-91.4	-171.3	172.9	-174	0	113.5	K5	K5-K9 PolarHBondContact O-N 2.81Å
10	E	39.6	Very low	30.8	Very low	133 Å²	133	134.9 Å²	134.9	62%	0.621	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-19.3	173.4	-72.1	-172.6	151.8	0	0	114.1	S8	S8-E10 PolarHBondContact O-N 3.17Å
11	Q	33.4	Very low	30.4	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-12.7	-175.2	-82.5	-175.9	-16.7	0	0	114.9	S8	S8-Q11 PolarHBondContact O-N 2.8Å
12	S	30.7	Very low	30.1	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-3.8	-174	62.8	0	0	0	0	116.1
13	N	28.6	Very low	29.6	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	71%	0.709	S	S	*	*			trans	-120.4	26.9	-174.5	-81.2	3.5	0	0	0	115.4	F15	N13-F15 VanDerWaalsContact C-N 3.27Å; N13-F15 PolarHBondContact O-N 3.46Å
14	I	27.1	Very low	29.3	Very low	137 Å²	137	142.4 Å²	142.4	70%	0.703	73%	0.725	S	S	*	*			trans	-82	4.4	179.5	-64.3	175.9	0	0	0	113.6
15	F	24.7	Very low	28.8	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.904	74%	0.74	S	S	*	*			trans	-119.7	83.2	174.7	-79.5	-81.1	0	0	0	113.2	N13	N13-F15 VanDerWaalsContact C-N 3.27Å; N13-F15 PolarHBondContact O-N 3.46Å
16	S	26.1	Very low	28.6	Very low	118 Å²	118	148.6 Å²	148.6	83%	0.825	75%	0.751	S	S	*	*			trans	-172.8	124.7	140.4	54.2	0	0	0	0	111.2
17	R	21.1	Very low	28.2	Very low	240 Å²	240	151.1 Å²	151.1	91%	0.906	76%	0.76	S	S	*	*			trans	-70	158.5	178.3	-72.1	171.5	166.4	171.2	-5.5	113
18	C	21.1	Very low	27.9	Very low	107 Å²	107	149 Å²	149	72%	0.723	76%	0.756	S	S	*	*			trans	81.9	124.1	148.7	-74.8	0	0	0	0	120.4
19	H	23.5	Very low	27.8	Very low	174 Å²	174	148.7 Å²	148.7	81%	0.806	75%	0.754	S	S	*	*			trans	54.2	99.8	150.5	-67.3	-73.5	0	0	0	118.9
20	D	27.6	Very low	27.8	Very low	163 Å²	163	147.3 Å²	147.3	87%	0.872	75%	0.748	S	S	*	*				-170	121.4	121.5	-91.8	-23.2	0	0	0	111
21	S	23.2	Very low	27.5	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	75%	0.75	S	S	*	*			trans	-66.2	146	168.1	45.1	0	0	0	0	110.7
22	F	24.1	Very low	27.5	Very low	204 Å²	204	140.3 Å²	140.3	90%	0.895	73%	0.728	S	S	*	*			trans	94.4	56.2	-175.4	-63.8	-80.6	0	0	0	117.3
23	K	25.1	Very low	27.8	Very low	201 Å²	201	140.4 Å²	140.4	87%	0.874	72%	0.719	S	S	*	*			trans	-138.6	109.8	141.8	-75.1	-170.8	178.4	168.1	0	108.9	T25	K23-T25 PolarHBondContact O-N 2.91Å
24	S	28.3	Very low	28.3	Very low	122 Å²	122	137.8 Å²	137.8	85%	0.853	71%	0.712	S	S	*	*			trans	-57.4	131.6	174.4	48.7	0	0	0	0	109.8
25	T	26.8	Very low	29	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	70%	0.695	S	S	*	*			trans	-69	133.4	-167.4	8.4	0	0	0	0	112.1	K23 E27	K23-T25 PolarHBondContact O-N 2.91Å; T25-E27 PolarHBondContact O-N 3.23Å
26	Y	29.8	Very low	29.6	Very low	215 Å²	215	130.1 Å²	130.1	84%	0.843	68%	0.681	S	S	*	*			trans	-64.6	64.9	173	-112.2	-95.6	0	0	0	111.9
27	E	28.5	Very low	30.5	Very low	137 Å²	137	130.7 Å²	130.7	64%	0.64	68%	0.68	S	S	*	*			trans	-95.1	-11.8	178.6	-76.4	-167.5	149.9	0	0	115.1	T25 S29	T25-E27 PolarHBondContact O-N 3.23Å; E27-S29 PolarHBondContact O-N 3.17Å
28	D	32	Very low	31.8	Very low	108 Å²	108	121.3 Å²	121.3	58%	0.578	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-9.7	-176.1	-73	-30.8	0	0	0	115.2	K89	D28-K89 VanDerWaalsContact OD2-CE 3.31Å; D28-K89 WeakPolarHBondContact OD2-CE 3.38Å; D28-K89 IonicContact OD2-NZ 3.55Å; D28-K89 PolarHBondContact OD2-NZ 3.15Å
29	S	30.9	Very low	33.3	Very low	56 Å²	56	116.3 Å²	116.3	39%	0.392	62%	0.617	S	S	.	*	H	α-helix	trans	-86.8	-18.7	-178.3	54.4	0	0	0	0	114.7	E27	E27-S29 PolarHBondContact O-N 3.17Å
30	K	31	Very low	35.5	Very low	150 Å²	150	109.1 Å²	109.1	65%	0.652	59%	0.586	S	S	*	*	H	α-helix	trans	-75.8	-35.6	-175.1	-76.2	-179.3	179.8	172.2	0	113
31	T	33.2	Very low	38	Very low	107 Å²	107	101.6 Å²	101.6	66%	0.656	55%	0.546	S	S	*	.	H	α-helix	trans	-79.3	-27.7	-179.3	14.2	0	0	0	0	113.2	S34	T31-S34 PolarHBondContact O-OG 3Å
32	C	35.1	Very low	41.1	Very low	48 Å²	48	97.2 Å²	97.2	32%	0.324	52%	0.515	S	S	.	.	H	α-helix	trans	-78.8	-20.6	-178.5	-147.6	0	0	0	0	113.2	I35	C32-I35 VanDerWaalsContact O-CD1 3.23Å; C32-I35 WeakPolarHBondContact O-CD1 3.4Å; C32-I35 VanDerWaalsContact O-CG1 3.28Å; C32-I35 WeakPolarHBondContact O-CG1 3.43Å
33	M	36.4	Very low	44.3	Very low	95 Å²	95	87.5 Å²	87.5	47%	0.468	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.8	-179.2	-75.3	-140.5	-110.1	0	0	115.1	I6 I35	I6-M33 HydrophobicContact CB-CE 3.9Å; I6-M33 HydrophobicContact CD1-CE 3.57Å; I6-M33 HydrophobicContact CG1-CE 4.31Å; I6-M33 HydrophobicContact CG2-CE 3.45Å; I6-M33 VanDerWaalsContact CG2-CE 3.45Å; M33-I35 VanDerWaalsContact C-N 3.26Å
34	S	38.3	Very low	47.6	Very low	85 Å²	85	78.7 Å²	78.7	59%	0.594	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	15.3	163.4	64	0	0	0	0	112.6	T31 N36	T31-S34 PolarHBondContact O-OG 3Å; S34-N36 PolarHBondContact O-N 2.98Å
35	I	41.6	Very low	50.8	Low	69 Å²	69	72.9 Å²	72.9	35%	0.354	40%	0.395	S	S	.	.	S	Bend	trans	-53.5	117.1	165.3	-67.2	167.5	0	0	0	106.1	C32 M33 T37 V42 C104	C32-I35 VanDerWaalsContact O-CD1 3.23Å; C32-I35 WeakPolarHBondContact O-CD1 3.4Å; C32-I35 VanDerWaalsContact O-CG1 3.28Å; C32-I35 WeakPolarHBondContact O-CG1 3.43Å; M33-I35 VanDerWaalsContact C-N 3.26Å; I35-T37 PolarHBondContact O-N 3.28Å; I35-V42 HydrophobicContact CG2-CG2 4.35Å; I35-C104 HydrophobicContact CD1-CB 3.59Å
36	N	38.3	Very low	54.2	Low	112 Å²	112	69.2 Å²	69.2	60%	0.599	37%	0.369	S	S	*	.			trans	-39.2	135.8	-170.5	-76	-47.3	0	0	0	111.3	S34 S38 S39	S34-N36 PolarHBondContact O-N 2.98Å; N36-S38 WeakPolarHBondContact CB-OG 3.37Å; N36-S38 PolarHBondContact O-N 2.94Å; N36-S39 PolarHBondContact O-N 3.07Å
37	T	44.2	Very low	57.3	Low	130 Å²	130	59 Å²	59	80%	0.798	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	14.6	163.3	51.5	0	0	0	0	112.8	I35 N206	I35-T37 PolarHBondContact O-N 3.28Å; T37-N206 PolarHBondContact O-ND2 3.35Å
38	S	48.4	Very low	60.5	Low	44 Å²	44	54 Å²	54	31%	0.308	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-23.3	175.6	66	0	0	0	0	113.5	N36 G110	N36-S38 WeakPolarHBondContact CB-OG 3.37Å; N36-S38 PolarHBondContact O-N 2.94Å; S38-G110 WeakPolarHBondContact O-CA 3.25Å
39	S	53.4	Low	63.4	Low	2 Å²	2	52.6 Å²	52.6	1%	0.014	30%	0.297	C	S	.	.			trans	-69.5	137.7	-177.1	-50.7	0	0	0	0	111.9	N36 E106	N36-S39 PolarHBondContact O-N 3.07Å; S39-E106 VanDerWaalsContact CB-OE1 3.24Å; S39-E106 WeakPolarHBondContact CB-OE1 3.46Å; S39-E106 VanDerWaalsContact OG-CD 3.27Å; S39-E106 PolarHBondContact OG-OE1 3.35Å
40	T	68.9	Low	66.4	Low	23 Å²	23	49.9 Å²	49.9	14%	0.141	28%	0.278	C	S	.	.	S	Bend	trans	-87.7	-30.5	-178.6	58.6	0	0	0	0	112.6	I108 C204	T40-I108 PolarHBondContact N-O 2.9Å; T40-I108 WeakPolarHBondContact OG1-CB 3.25Å; T40-I108 WeakPolarHBondContact OG1-CG2 3.37Å; T40-C204 WeakPolarHBondContact O-CA 3.37Å
41	A	80.9	Confident	69.3	Low	4 Å²	4	46.9 Å²	46.9	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.6	175.4	0	0	0	0	0	112.7	L107 I108 I203	A41-L107 HydrophobicContact CB-CB 4.27Å; A41-L107 HydrophobicContact CB-CD1 4.3Å; A41-L107 PolarHBondContact O-N 2.99Å; A41-I108 HydrophobicContact CB-CD1 4.2Å; A41-I203 CarbonylContact C-O 3.5Å; A41-I203 WeakPolarHBondContact CA-O 3.29Å
42	V	87.7	Confident	71.8	Confident	11 Å²	11	44.3 Å²	44.3	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.8	-179.5	-177.9	0	0	0	0	109.8	I35 V44 C104 F105 I203	I35-V42 HydrophobicContact CG2-CG2 4.35Å; V42-V44 HydrophobicContact CG1-CG2 4.14Å; V42-C104 HydrophobicContact CG1-CB 4.22Å; V42-F105 CarbonylContact C-O 3.6Å; V42-F105 WeakPolarHBondContact CA-O 3.39Å; V42-I203 PolarHBondContact N-O 3.36Å; V42-I203 PolarHBondContact O-N 2.87Å
43	L	91.5	Very high	74.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.8	168.4	173.3	68.4	0	0	0	108.9	V45 C104 F105 L107 V132 W156 F160	L43-V45 HydrophobicContact CD2-CG2 4.24Å; L43-V45 HydrophobicContact CG-CG2 4.11Å; L43-C104 CarbonylContact O-C 3.58Å; L43-F105 HydrophobicContact CB-CB 4.34Å; L43-F105 HydrophobicContact CD2-CD2 4.42Å; L43-F105 PolarHBondContact N-O 2.94Å; L43-F105 PolarHBondContact O-N 2.85Å; L43-L107 HydrophobicContact CB-CD1 3.85Å; L43-L107 HydrophobicContact CB-CD2 3.76Å; L43-L107 HydrophobicContact CB-CG 3.93Å; L43-L107 HydrophobicContact CD2-CD2 4.46Å; L43-V132 HydrophobicContact CD2-CG2 4.24Å; L43-W156 HydrophobicContact CD1-CB 4.47Å; L43-W156 HydrophobicContact CD1-CD2 4.32Å; L43-W156 HydrophobicContact CD1-CE3 4.18Å; L43-W156 HydrophobicContact CD1-CG 4.45Å; L43-W156 HydrophobicContact CD2-CB 4.09Å; L43-W156 HydrophobicContact CD2-CD2 3.88Å; L43-W156 HydrophobicContact CD2-CG 3.63Å; L43-F160 HydrophobicContact CD1-CE2 3.8Å; L43-F160 HydrophobicContact CD1-CZ 4.15Å
44	V	94.4	Very high	75.6	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124	175.2	-175.7	0	0	0	0	108.3	V42 I102 F103 L200 S201 I203	V42-V44 HydrophobicContact CG1-CG2 4.14Å; V44-I102 HydrophobicContact CG1-CG2 3.36Å; V44-F103 CarbonylContact C-O 3.53Å; V44-F103 WeakPolarHBondContact CA-O 3.26Å; V44-L200 CarbonylContact O-C 3.47Å; V44-L200 WeakPolarHBondContact O-CA 3.37Å; V44-S201 PolarHBondContact N-O 3.37Å; V44-S201 PolarHBondContact O-N 3.01Å; V44-I203 HydrophobicContact CG2-CD1 3.86Å; V44-I203 HydrophobicContact CG2-CG1 4.45Å
45	V	96.4	Very high	76.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.2	176.3	-176.5	0	0	0	0	107.6	L43 I79 F103 F105 L198 L200	L43-V45 HydrophobicContact CD2-CG2 4.24Å; L43-V45 HydrophobicContact CG-CG2 4.11Å; V45-I79 HydrophobicContact CB-CD1 4.19Å; V45-I79 HydrophobicContact CG1-CD1 3.86Å; V45-I79 HydrophobicContact CG2-CD1 4.42Å; V45-F103 PolarHBondContact N-O 3.48Å; V45-F103 PolarHBondContact O-N 3.04Å; V45-F105 HydrophobicContact CB-CE2 4.27Å; V45-F105 HydrophobicContact CG2-CD2 3.99Å; V45-F105 HydrophobicContact CG2-CE2 3.78Å; V45-L198 HydrophobicContact CG1-CD1 4.24Å; V45-L200 HydrophobicContact CB-CD2 4.27Å; V45-L200 HydrophobicContact CG1-CD2 3.94Å; V45-L200 HydrophobicContact CG2-CD2 3.93Å
46	E	96.6	Very high	77.2	Confident	41 Å²	41	37.3 Å²	37.3	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	171.3	176.9	178.1	-150.1	0	0	108.8	L48 Q101 I102 L198 R199	E46-L48 HydrophobicContact CG-CD2 3.68Å; E46-L48 HydrophobicContact CG-CG 4.39Å; E46-Q101 CarbonylContact C-O 3.51Å; E46-Q101 WeakPolarHBondContact CA-O 3.4Å; E46-I102 HydrophobicContact CB-CG1 4.03Å; E46-I102 HydrophobicContact CG-CG1 3.86Å; E46-L198 CarbonylContact O-C 3.41Å; E46-L198 VanDerWaalsContact O-CA 3.27Å; E46-L198 WeakPolarHBondContact O-CA 3.32Å; E46-R199 HydrophobicContact CB-CB 4.14Å; E46-R199 WeakPolarHBondContact CB-O 3.34Å; E46-R199 PolarHBondContact N-O 3.36Å; E46-R199 PolarHBondContact O-N 3.34Å; E46-R199 IonicContact OE1-NH1 2.94Å; E46-R199 WeakPolarHBondContact OE2-CD 3.13Å; E46-R199 IonicContact OE2-CZ 3.81Å; E46-R199 IonicContact OE2-NE 3.42Å; E46-R199 IonicContact OE2-NH1 3.78Å; E46-R199 PolarHBondContact OE2-NH1 2.98Å
47	V	96.3	Very high	77.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.3	173.3	-172.8	0	0	0	0	108	L77 I99 N100 Q101 F103 L196 L198	V47-L77 HydrophobicContact CG1-CD1 4.02Å; V47-L77 HydrophobicContact CG2-CD1 4.14Å; V47-L77 HydrophobicContact CG2-CD2 4.45Å; V47-I99 HydrophobicContact CB-CG2 4.09Å; V47-I99 HydrophobicContact CG1-CB 3.97Å; V47-I99 HydrophobicContact CG1-CD1 3.64Å; V47-I99 HydrophobicContact CG1-CG1 4.39Å; V47-I99 HydrophobicContact CG1-CG2 3.86Å; V47-N100 CarbonylContact O-C 3.5Å; V47-N100 WeakPolarHBondContact O-CA 2.94Å; V47-N100 PolarHBondContact O-N 3.42Å; V47-Q101 PolarHBondContact N-O 2.94Å; V47-Q101 PolarHBondContact O-N 3.44Å; V47-F103 HydrophobicContact CG2-CD2 4Å; V47-F103 HydrophobicContact CG2-CE2 3.72Å; V47-L196 HydrophobicContact CG1-CD2 4.43Å; V47-L198 HydrophobicContact CB-CD2 4Å; V47-L198 HydrophobicContact CG1-CD2 3.88Å; V47-L198 HydrophobicContact CG2-CD2 3.76Å
48	L	95.1	Very high	77.9	Confident	33 Å²	33	36 Å²	36	17%	0.173	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-66.6	-174.2	-59.8	171.5	0	0	0	110.6	E46 I99 N100 D197 R199	E46-L48 HydrophobicContact CG-CD2 3.68Å; E46-L48 HydrophobicContact CG-CG 4.39Å; L48-I99 PolarHBondContact O-N 2.97Å; L48-N100 PolarHBondContact O-N 3.23Å; L48-N100 PolarHBondContact O-OD1 3.26Å; L48-D197 WeakPolarHBondContact CB-O 3.4Å; L48-D197 PolarHBondContact N-O 2.92Å; L48-R199 HydrophobicContact CD1-CB 4.21Å
49	Q	94	Very high	77.9	Confident	77 Å²	77	37.1 Å²	37.1	36%	0.36	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.9	-174.8	65.1	179.6	18.9	0	0	111.4	P97 D197	Q49-P97 CarbonylContact C-O 3.55Å; Q49-P97 VanDerWaalsContact CA-O 3.26Å; Q49-P97 WeakPolarHBondContact CA-O 3.49Å; Q49-D197 HydrophobicContact CG-CB 3.97Å; Q49-D197 PolarHBondContact NE2-OD2 2.99Å; Q49-D197 PolarHBondContact O-N 3.38Å
50	G	92.6	Very high	77.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	157	166.4	0	0	0	0	0	112.3	F53 E96 P97 I195	G50-F53 VanDerWaalsContact CA-CE2 3.47Å; G50-E96 VanDerWaalsContact O-CA 3.25Å; G50-E96 WeakPolarHBondContact O-CA 3.43Å; G50-P97 PolarHBondContact N-O 3.32Å; G50-I195 CarbonylContact C-O 3.48Å; G50-I195 VanDerWaalsContact CA-O 3.28Å; G50-I195 WeakPolarHBondContact CA-O 3.33Å
51	R	91.5	Very high	76.4	Confident	86 Å²	86	50.7 Å²	50.7	33%	0.325	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151	170.7	-68.9	-174	-73.9	146.8	1.8	110.1	F53 T95 S179 I195 D197	R51-F53 VanDerWaalsContact C-N 3.26Å; R51-F53 PolarHBondContact O-N 2.99Å; R51-T95 CarbonylContact C-O 3.44Å; R51-S179 PolarHBondContact NH2-OG 3.43Å; R51-I195 HydrophobicContact CB-CB 4.39Å; R51-I195 PolarHBondContact N-O 2.97Å; R51-I195 PolarHBondContact O-N 3.32Å; R51-D197 IonicContact CZ-OD1 3.95Å; R51-D197 IonicContact CZ-OD2 3.87Å; R51-D197 IonicContact NE-OD1 3.99Å; R51-D197 PolarHBondContact NE-OD1 3.27Å; R51-D197 IonicContact NE-OD2 3.58Å; R51-D197 PolarHBondContact NE-OD2 3.37Å; R51-D197 IonicContact NH2-OD1 3.44Å; R51-D197 PolarHBondContact NH2-OD1 3.12Å; R51-D197 IonicContact NH2-OD2 3.63Å
52	A	87.2	Confident	74.7	Confident	53 Å²	53	51.8 Å²	51.8	44%	0.438	26%	0.261	S	S	.	.			trans	53	37.9	174.4	0	0	0	0	0	114.5	T54 T95 G194	A52-T54 PolarHBondContact O-N 2.96Å; A52-T95 PolarHBondContact N-O 3.01Å; A52-T95 VanDerWaalsContact N-O 3.07Å; A52-G194 WeakPolarHBondContact O-CA 3.24Å
53	F	81.9	Confident	72.6	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.013	28%	0.281	C	S	.	.			trans	-71.3	94.6	168.4	-80.5	-100.8	0	0	0	108.9	G50 R51 L75 T94 T95 P97 I136 L182 A193 L196	G50-F53 VanDerWaalsContact CA-CE2 3.47Å; R51-F53 VanDerWaalsContact C-N 3.26Å; R51-F53 PolarHBondContact O-N 2.99Å; F53-L75 HydrophobicContact CD1-CD1 4.05Å; F53-L75 HydrophobicContact CE1-CD1 4.19Å; F53-T94 WeakPolarHBondContact CB-O 3.19Å; F53-T95 PolarHBondContact N-O 2.77Å; F53-P97 HydrophobicContact CD2-CG 3.94Å; F53-P97 HydrophobicContact CE2-CG 4.04Å; F53-P97 HydrophobicContact CG-CG 4.43Å; F53-I136 HydrophobicContact CE1-CD1 3.81Å; F53-I136 HydrophobicContact CZ-CD1 3.84Å; F53-L182 HydrophobicContact CE1-CD1 4.04Å; F53-L182 HydrophobicContact CZ-CD1 3.66Å; F53-A193 WeakPolarHBondContact CA-O 3.27Å; F53-L196 HydrophobicContact CE2-CD2 4.24Å; F53-L196 HydrophobicContact CZ-CD2 3.96Å
54	T	67.7	Low	70.1	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.503	32%	0.322	S	S	.	.			trans	-110.5	-36.8	-172.7	51.4	0	0	0	0	113.8	A52	A52-T54 PolarHBondContact O-N 2.96Å
55	S	57.3	Low	67.6	Low	33 Å²	33	68.2 Å²	68.2	23%	0.231	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-79.4	-19	-165.7	40.7	0	0	0	0	115.5	A193	S55-A193 WeakPolarHBondContact OG-CA 3.47Å
56	H	57.2	Low	64.9	Low	33 Å²	33	74.6 Å²	74.6	15%	0.153	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-100.7	7.8	-173.9	-46.6	-60.1	0	0	0	113.5	Q58 I149 A193	H56-Q58 VanDerWaalsContact C-N 3.32Å; H56-I149 HydrophobicContact CB-CD1 3.99Å; H56-I149 HydrophobicContact CB-CG1 4.35Å; H56-I149 VanDerWaalsContact CD2-CG2 3.44Å; H56-I149 WeakPolarHBondContact CD2-CG2 3.23Å; H56-I149 WeakPolarHBondContact CE1-CG2 3.2Å; H56-I149 WeakPolarHBondContact NE2-CG2 3.16Å; H56-A193 WeakPolarHBondContact NE2-CB 3.42Å
57	L	51.4	Low	62.1	Low	76 Å²	76	82 Å²	82	40%	0.398	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-83	-12.4	174.6	-68.5	168.4	0	0	0	112.1	T95	L57-T95 HydrophobicContact CD1-CG2 4.35Å
58	Q	46.8	Very low	59.3	Low	137 Å²	137	85.6 Å²	85.6	64%	0.64	43%	0.429	S	S	*	.			trans	-147.3	82.9	-176.4	-66.7	-177.7	-31.7	0	0	110.7	H56	H56-Q58 VanDerWaalsContact C-N 3.32Å
59	T	47.9	Very low	56.8	Low	69 Å²	69	93.9 Å²	93.9	42%	0.423	46%	0.463	S	S	.	.			trans	-71.2	148.2	159.6	-21.2	0	0	0	0	107.8	E61 D62	T59-E61 PolarHBondContact O-N 2.83Å; T59-E61 VanDerWaalsContact O-N 3.16Å; T59-D62 WeakPolarHBondContact CA-OD2 3.29Å; T59-D62 WeakPolarHBondContact CB-OD2 3.26Å; T59-D62 PolarHBondContact N-OD2 2.72Å; T59-D62 WeakPolarHBondContact O-CA 3Å; T59-D62 VanDerWaalsContact O-CB 3.24Å; T59-D62 WeakPolarHBondContact O-CB 3.18Å; T59-D62 PolarHBondContact O-N 3.23Å; T59-D62 PolarHBondContact OG1-OD2 2.73Å
60	Y	45	Very low	54.5	Low	186 Å²	186	100 Å²	100	73%	0.729	48%	0.483	S	S	*	.	H	α-helix	trans	-58.2	-28.1	174.1	-103.5	-89.9	0	0	0	112.6	D62 I63	Y60-D62 PolarHBondContact O-N 3.37Å; Y60-I63 HydrophobicContact CD1-CD1 3.74Å; Y60-I63 HydrophobicContact CE1-CD1 3.97Å; Y60-I63 HydrophobicContact CG-CD1 4.19Å; Y60-I63 PolarHBondContact O-N 3.27Å
61	E	45.6	Very low	52.7	Low	123 Å²	123	103.6 Å²	103.6	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-25.1	170.6	-64.1	-171.9	156.2	0	0	112.6	T59 K145	T59-E61 PolarHBondContact O-N 2.83Å; T59-E61 VanDerWaalsContact O-N 3.16Å; E61-K145 IonicContact OE1-NZ 3.34Å; E61-K145 IonicContact OE2-NZ 3.46Å; E61-K145 PolarHBondContact OE2-NZ 3.02Å
62	D	45.4	Very low	51.7	Low	28 Å²	28	104.3 Å²	104.3	15%	0.15	52%	0.519	C	S	.	.	H	α-helix	trans	-77.7	-20.5	177.7	-59.7	-45.7	0	0	0	112.4	T59 Y60 E64 I65 E66	T59-D62 WeakPolarHBondContact CA-OD2 3.29Å; T59-D62 WeakPolarHBondContact CB-OD2 3.26Å; T59-D62 PolarHBondContact N-OD2 2.72Å; T59-D62 WeakPolarHBondContact O-CA 3Å; T59-D62 VanDerWaalsContact O-CB 3.24Å; T59-D62 WeakPolarHBondContact O-CB 3.18Å; T59-D62 PolarHBondContact O-N 3.23Å; T59-D62 PolarHBondContact OG1-OD2 2.73Å; Y60-D62 PolarHBondContact O-N 3.37Å; D62-E64 PolarHBondContact O-N 3.4Å; D62-I65 CarbonylContact O-C 3.5Å; D62-I65 WeakPolarHBondContact O-CA 3.41Å; D62-I65 PolarHBondContact O-N 2.9Å; D62-E66 WeakPolarHBondContact O-CG 3.48Å; D62-E66 PolarHBondContact O-N 2.92Å
63	I	43.6	Very low	51.4	Low	96 Å²	96	102.2 Å²	102.2	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-30.4	175.9	-59.5	176.7	0	0	0	110.8	Y60 I65	Y60-I63 HydrophobicContact CD1-CD1 3.74Å; Y60-I63 HydrophobicContact CE1-CD1 3.97Å; Y60-I63 HydrophobicContact CG-CD1 4.19Å; Y60-I63 PolarHBondContact O-N 3.27Å; I63-I65 VanDerWaalsContact C-N 3.31Å
64	E	38.6	Very low	51.7	Low	185 Å²	185	103.5 Å²	103.5	86%	0.864	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.5	171.3	-68	-168.7	168.7	0	0	113	D62	D62-E64 PolarHBondContact O-N 3.4Å
65	I	42.3	Very low	52.9	Low	92 Å²	92	99.6 Å²	99.6	47%	0.472	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.9	-176.3	-59.7	175.1	0	0	0	112.2	D62 I63 E67 S68	D62-I65 CarbonylContact O-C 3.5Å; D62-I65 WeakPolarHBondContact O-CA 3.41Å; D62-I65 PolarHBondContact O-N 2.9Å; I63-I65 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 2.98Å; I65-S68 WeakPolarHBondContact CG2-OG 3.18Å; I65-S68 PolarHBondContact O-N 3.22Å; I65-S68 PolarHBondContact O-OG 2.88Å
66	E	38.2	Very low	54.6	Low	133 Å²	133	99.4 Å²	99.4	62%	0.621	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-7.9	-177.8	-84.3	-166.5	165.2	0	0	115.5	D62 S68	D62-E66 WeakPolarHBondContact O-CG 3.48Å; D62-E66 PolarHBondContact O-N 2.92Å; E66-S68 VanDerWaalsContact C-N 3.31Å
67	E	38.9	Very low	56.4	Low	197 Å²	197	97.9 Å²	97.9	92%	0.921	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.9	167.8	-69.8	-165.1	157.6	0	0	114.3	I65	I65-E67 PolarHBondContact O-N 2.98Å
68	S	37.5	Very low	58.6	Low	75 Å²	75	94.6 Å²	94.6	52%	0.524	46%	0.455	S	S	.	.	S	Bend	trans	-106.4	109.9	178.1	63.5	0	0	0	0	112.5	I65 E66 R70	I65-S68 WeakPolarHBondContact CG2-OG 3.18Å; I65-S68 PolarHBondContact O-N 3.22Å; I65-S68 PolarHBondContact O-OG 2.88Å; E66-S68 VanDerWaalsContact C-N 3.31Å; S68-R70 PolarHBondContact O-N 2.8Å
69	K	42	Very low	61	Low	207 Å²	207	88 Å²	88	90%	0.9	42%	0.424	S	S	*	.	S	Bend	trans	-50	127.3	179.3	-69.8	169.6	176.1	173.4	0	112.5
70	R	45.5	Very low	63.2	Low	205 Å²	205	85.6 Å²	85.6	77%	0.774	41%	0.411	S	S	*	.	S	Bend	trans	72.7	105.4	169.7	-151.9	178.7	-163	172.7	2.7	112.9	S68 D72	S68-R70 PolarHBondContact O-N 2.8Å; R70-D72 PolarHBondContact O-N 3.27Å; R70-D72 VanDerWaalsContact O-N 3.1Å
71	S	55.5	Low	65.5	Low	76 Å²	76	77.1 Å²	77.1	53%	0.531	38%	0.377	S	S	.	.			trans	-66.8	110.8	175.1	57.3	0	0	0	0	109.5	V73	S71-V73 PolarHBondContact O-N 2.86Å
72	D	70.4	Confident	67.6	Low	102 Å²	102	74.2 Å²	74.2	55%	0.545	36%	0.363	S	S	.	.			trans	-72.9	47	175.8	-87.6	-18.6	0	0	0	111.1	R70 F141	R70-D72 PolarHBondContact O-N 3.27Å; R70-D72 VanDerWaalsContact O-N 3.1Å; D72-F141 HydrophobicContact CB-CB 4.27Å; D72-F141 HydrophobicContact CB-CD2 4.08Å; D72-F141 WeakPolarHBondContact O-CD2 3.43Å; D72-F141 PolarHBondContact O-N 2.94Å
73	V	80.6	Confident	69.6	Low	8 Å²	8	77.7 Å²	77.7	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.4	179.9	-160.9	0	0	0	0	109.4	S71 C93 M140	S71-V73 PolarHBondContact O-N 2.86Å; V73-C93 HydrophobicContact CB-CB 4.15Å; V73-C93 HydrophobicContact CG1-CB 4.5Å; V73-C93 WeakPolarHBondContact O-CB 3.25Å; V73-C93 PolarHBondContact O-N 3.46Å; V73-M140 HydrophobicContact CB-CE 4.28Å; V73-M140 HydrophobicContact CB-SD 3.84Å; V73-M140 HydrophobicContact CG1-CE 3.94Å; V73-M140 HydrophobicContact CG1-SD 3.75Å; V73-M140 HydrophobicContact CG2-CE 3.46Å; V73-M140 VanDerWaalsContact CG2-CE 3.46Å; V73-M140 HydrophobicContact CG2-SD 3.28Å; V73-M140 WeakPolarHBondContact CG2-SD 3.27Å
74	N	89.1	Confident	71.8	Confident	30 Å²	30	75 Å²	75	16%	0.16	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	150.7	165.6	-79	-22.9	0	0	0	110.3	L90 F91 S138 N139 F141	N74-L90 HydrophobicContact CB-CB 4.16Å; N74-F91 CarbonylContact C-O 3.43Å; N74-F91 WeakPolarHBondContact CA-O 3.18Å; N74-S138 CarbonylContact O-C 3.58Å; N74-S138 WeakPolarHBondContact O-CA 3.26Å; N74-N139 PolarHBondContact N-O 2.74Å; N74-N139 PolarHBondContact O-N 2.98Å; N74-F141 WeakPolarHBondContact ND2-CE2 3.47Å; N74-F141 WeakPolarHBondContact ND2-CZ 3.4Å
75	L	91.7	Very high	74.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151.4	174.1	-58.2	-174.5	0	0	0	110.1	F53 L90 F91 C93 I136 T137 I149	F53-L75 HydrophobicContact CD1-CD1 4.05Å; F53-L75 HydrophobicContact CE1-CD1 4.19Å; L75-L90 WeakPolarHBondContact O-CA 3.35Å; L75-F91 HydrophobicContact CB-CD2 3.79Å; L75-F91 HydrophobicContact CB-CE1 4.27Å; L75-F91 HydrophobicContact CB-CE2 3.37Å; L75-F91 HydrophobicContact CB-CG 4.42Å; L75-F91 HydrophobicContact CB-CZ 3.63Å; L75-F91 HydrophobicContact CD1-CE2 3.87Å; L75-F91 HydrophobicContact CG-CE2 4.2Å; L75-F91 PolarHBondContact N-O 2.95Å; L75-F91 WeakPolarHBondContact O-CD1 3.19Å; L75-F91 PolarHBondContact O-N 2.91Å; L75-C93 HydrophobicContact CD1-CB 4.36Å; L75-C93 HydrophobicContact CD2-CB 4.39Å; L75-C93 HydrophobicContact CG-CB 4.06Å; L75-I136 HydrophobicContact CB-CG2 4.48Å; L75-T137 CarbonylContact C-O 3.52Å; L75-T137 WeakPolarHBondContact CA-O 3.45Å; L75-I149 HydrophobicContact CD2-CD1 3.28Å
76	Q	93.5	Very high	76.9	Confident	30 Å²	30	66 Å²	66	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.1	172.6	-163.3	171.7	13.1	0	0	109.5	S88 L90 I136 T137 N139	Q76-S88 WeakPolarHBondContact CG-O 3.16Å; Q76-S88 PolarHBondContact NE2-O 3.36Å; Q76-L90 HydrophobicContact CB-CD2 3.8Å; Q76-L90 HydrophobicContact CG-CD2 4.02Å; Q76-I136 WeakPolarHBondContact O-CA 3.29Å; Q76-T137 PolarHBondContact N-O 3.1Å; Q76-T137 PolarHBondContact O-N 3.14Å; Q76-N139 PolarHBondContact OE1-ND2 2.99Å
77	L	95.8	Very high	79.6	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.2	176.1	-179.2	153.2	0	0	0	109	V47 I79 S87 S88 F91 F103 I134 V135 L196	V47-L77 HydrophobicContact CG1-CD1 4.02Å; V47-L77 HydrophobicContact CG2-CD1 4.14Å; V47-L77 HydrophobicContact CG2-CD2 4.45Å; L77-I79 HydrophobicContact CD2-CB 3.96Å; L77-I79 HydrophobicContact CD2-CG2 4.21Å; L77-S87 CarbonylContact O-C 3.6Å; L77-S87 WeakPolarHBondContact O-CA 3.35Å; L77-S88 PolarHBondContact N-OG 3.38Å; L77-S88 PolarHBondContact O-N 3Å; L77-S88 PolarHBondContact O-OG 3.47Å; L77-F91 HydrophobicContact CB-CE1 4.04Å; L77-F91 HydrophobicContact CB-CZ 4.42Å; L77-F103 HydrophobicContact CD2-CE2 3.94Å; L77-F103 HydrophobicContact CD2-CZ 4.21Å; L77-I134 HydrophobicContact CD1-CG2 3.89Å; L77-I134 HydrophobicContact CD2-CG2 4.43Å; L77-I134 HydrophobicContact CG-CG2 3.92Å; L77-V135 CarbonylContact C-O 3.54Å; L77-L196 HydrophobicContact CD1-CD1 3.69Å
78	H	96.3	Very high	82.2	Confident	7 Å²	7	52.8 Å²	52.8	3%	0.032	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	173.5	-53.5	-93.3	0	0	0	108	F86 S87 I134 V135 T137	H78-F86 WeakPolarHBondContact CA-O 3.3Å; H78-S87 WeakPolarHBondContact ND1-CB 3.46Å; H78-S87 PolarHBondContact ND1-OG 3.25Å; H78-I134 CarbonylContact O-C 3.54Å; H78-I134 WeakPolarHBondContact O-CA 3.29Å; H78-V135 HydrophobicContact CB-CB 4.34Å; H78-V135 PolarHBondContact N-O 3.5Å; H78-V135 PolarHBondContact O-N 2.8Å; H78-T137 PolarHBondContact NE2-OG1 2.77Å; H78-T137 VanDerWaalsContact NE2-OG1 3.12Å
79	I	96.9	Very high	84.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.7	-175.7	-170	173.8	0	0	0	110	V45 L77 R85 F86 F103 F105 V132 Q133 I134	V45-I79 HydrophobicContact CB-CD1 4.19Å; V45-I79 HydrophobicContact CG1-CD1 3.86Å; V45-I79 HydrophobicContact CG2-CD1 4.42Å; L77-I79 HydrophobicContact CD2-CB 3.96Å; L77-I79 HydrophobicContact CD2-CG2 4.21Å; I79-R85 WeakPolarHBondContact O-CA 3.18Å; I79-F86 HydrophobicContact CG2-CB 4Å; I79-F86 PolarHBondContact N-O 2.67Å; I79-F86 PolarHBondContact O-N 3.28Å; I79-F103 HydrophobicContact CD1-CD2 4.43Å; I79-F103 HydrophobicContact CG2-CB 4.08Å; I79-F103 HydrophobicContact CG2-CD1 3.82Å; I79-F103 HydrophobicContact CG2-CD2 3.76Å; I79-F103 HydrophobicContact CG2-CE1 4.13Å; I79-F103 HydrophobicContact CG2-CE2 4.09Å; I79-F103 HydrophobicContact CG2-CG 3.59Å; I79-F103 HydrophobicContact CG2-CZ 4.26Å; I79-F105 HydrophobicContact CB-CZ 4.42Å; I79-F105 HydrophobicContact CD1-CE2 3.9Å; I79-F105 HydrophobicContact CD1-CZ 3.92Å; I79-F105 HydrophobicContact CG1-CE2 4.27Å; I79-F105 HydrophobicContact CG1-CZ 3.79Å; I79-F105 HydrophobicContact CG2-CZ 3.99Å; I79-V132 HydrophobicContact CD1-CG1 3.74Å; I79-V132 HydrophobicContact CG1-CG1 3.63Å; I79-Q133 VanDerWaalsContact CA-O 3.32Å; I79-Q133 WeakPolarHBondContact CA-O 3.26Å; I79-I134 HydrophobicContact CD1-CD1 4.41Å; I79-I134 HydrophobicContact CD1-CG1 4.05Å; I79-I134 HydrophobicContact CG1-CG1 3.97Å
80	A	95.5	Very high	87.2	Confident	17 Å²	17	49.1 Å²	49.1	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.6	179.1	0	0	0	0	0	112	C84 R85 V132 Q133 L346	A80-C84 VanDerWaalsContact CA-O 3.29Å; A80-C84 WeakPolarHBondContact CA-O 3.34Å; A80-R85 HydrophobicContact CB-CB 4.34Å; A80-R85 HydrophobicContact CB-CG 4.18Å; A80-V132 WeakPolarHBondContact O-CA 3.28Å; A80-Q133 PolarHBondContact N-O 2.98Å; A80-Q133 PolarHBondContact O-N 2.86Å; A80-L346 HydrophobicContact CB-CD1 4.3Å; A80-L346 HydrophobicContact CB-CD2 3.71Å
81	Y	93.4	Very high	89.4	Confident	8 Å²	8	40.1 Å²	40.1	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	122.3	171.5	175.3	-98.4	0	0	0	108.7	D83 C84 F105 L107 A130 V132 W156	Y81-D83 PolarHBondContact O-N 3.43Å; Y81-C84 PolarHBondContact N-O 3.42Å; Y81-C84 WeakPolarHBondContact O-CB 3.32Å; Y81-C84 PolarHBondContact O-N 2.96Å; Y81-F105 HydrophobicContact CD1-CB 3.89Å; Y81-F105 HydrophobicContact CD1-CD1 4.37Å; Y81-F105 HydrophobicContact CD1-CG 4.27Å; Y81-F105 HydrophobicContact CG-CB 4.44Å; Y81-F105 HydrophobicContact CG-CD1 4.4Å; Y81-F105 HydrophobicContact CG-CG 4.37Å; Y81-L107 HydrophobicContact CD1-CD2 4.48Å; Y81-L107 HydrophobicContact CE1-CD2 3.57Å; Y81-A130 HydrophobicContact CD2-CB 4.39Å; Y81-A130 HydrophobicContact CE2-CB 3.73Å; Y81-A130 WeakPolarHBondContact CE2-O 3.49Å; Y81-V132 HydrophobicContact CD2-CG2 3.72Å; Y81-V132 HydrophobicContact CG-CG2 4.29Å; Y81-W156 AromaticContact CE2-NE1 3.46Å; Y81-W156 AromaticContact CZ-NE1 3.92Å
82	K	88.4	Confident	90.8	Very high	62 Å²	62	41.9 Å²	41.9	27%	0.27	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-124.8	-172.4	-62.6	-175.8	173.1	-175.4	0	110	C84 D126 A130 R492	K82-C84 VanDerWaalsContact C-N 3.3Å; K82-C84 PolarHBondContact O-N 3.15Å; K82-D126 IonicContact NZ-OD2 3.4Å; K82-D126 PolarHBondContact NZ-OD2 3.05Å; K82-A130 HydrophobicContact CD-CB 4.35Å; K82-A130 HydrophobicContact CG-CB 3.71Å; K82-R492 WeakPolarHBondContact O-CB 3.44Å; K82-R492 WeakPolarHBondContact O-CD 3.47Å
83	D	87.3	Confident	91.3	Very high	102 Å²	102	37.7 Å²	37.7	55%	0.545	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	19.2	-177.2	-48.3	-40.3	0	0	0	112.4	Y81 K493	Y81-D83 PolarHBondContact O-N 3.43Å; D83-K493 WeakPolarHBondContact O-CD 3.24Å
84	C	90.8	Very high	91.5	Very high	38 Å²	38	39.6 Å²	39.6	26%	0.257	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.7	176.6	-71.2	0	0	0	0	110.2	A80 Y81 K82 F86 F105	A80-C84 VanDerWaalsContact CA-O 3.29Å; A80-C84 WeakPolarHBondContact CA-O 3.34Å; Y81-C84 PolarHBondContact N-O 3.42Å; Y81-C84 WeakPolarHBondContact O-CB 3.32Å; Y81-C84 PolarHBondContact O-N 2.96Å; K82-C84 VanDerWaalsContact C-N 3.3Å; K82-C84 PolarHBondContact O-N 3.15Å; C84-F86 HydrophobicContact CB-CE2 4.24Å; C84-F105 HydrophobicContact CB-CD1 3.67Å; C84-F105 HydrophobicContact CB-CE1 4.09Å
85	R	93.4	Very high	91.4	Very high	13 Å²	13	41.9 Å²	41.9	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.6	177.1	-172.5	171	60.5	122.4	4.7	110.8	I79 A80 L346 N495 E640	I79-R85 WeakPolarHBondContact O-CA 3.18Å; A80-R85 HydrophobicContact CB-CB 4.34Å; A80-R85 HydrophobicContact CB-CG 4.18Å; R85-L346 HydrophobicContact CG-CD1 4.08Å; R85-N495 PolarHBondContact NH2-ND2 2.99Å; R85-N495 PolarHBondContact NH2-OD1 3.38Å; R85-E640 IonicContact CZ-OE1 2.73Å; R85-E640 IonicContact CZ-OE2 3.92Å; R85-E640 IonicContact NH1-OE1 3.22Å; R85-E640 IonicContact NH1-OE2 3.17Å; R85-E640 PolarHBondContact NH1-OE2 3.13Å; R85-E640 IonicContact NH2-OE1 3.02Å; R85-E640 PolarHBondContact NH2-OE1 3.4Å; R85-E640 IonicContact NH2-OE2 3.2Å; R85-E640 PolarHBondContact NH2-OE2 2.75Å
86	F	94.5	Very high	91.3	Very high	77 Å²	77	48 Å²	48	34%	0.338	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.9	177.2	-55.8	-78.5	0	0	0	110.2	H78 I79 C84 F103 C104 F105	H78-F86 WeakPolarHBondContact CA-O 3.3Å; I79-F86 HydrophobicContact CG2-CB 4Å; I79-F86 PolarHBondContact N-O 2.67Å; I79-F86 PolarHBondContact O-N 3.28Å; C84-F86 HydrophobicContact CB-CE2 4.24Å; F86-F103 HydrophobicContact CB-CD1 3.3Å; F86-F103 HydrophobicContact CB-CE1 3.66Å; F86-F103 HydrophobicContact CB-CG 4.28Å; F86-F103 HydrophobicContact CD2-CB 4.2Å; F86-F103 HydrophobicContact CD2-CD1 4.25Å; F86-F103 AromaticContact CG-CD1 3.87Å; F86-F103 HydrophobicContact CG-CD1 3.87Å; F86-C104 WeakPolarHBondContact CE2-O 3.43Å; F86-C104 WeakPolarHBondContact CZ-O 3.37Å; F86-F105 HydrophobicContact CD2-CD1 4.32Å; F86-F105 AromaticContact CD2-CE1 3.59Å; F86-F105 HydrophobicContact CD2-CE1 3.59Å; F86-F105 AromaticContact CD2-CZ 3.9Å; F86-F105 HydrophobicContact CD2-CZ 3.9Å; F86-F105 AromaticContact CE2-CD1 3.88Å; F86-F105 HydrophobicContact CE2-CD1 3.88Å; F86-F105 AromaticContact CE2-CE1 3.62Å; F86-F105 HydrophobicContact CE2-CE1 3.62Å; F86-F105 HydrophobicContact CE2-CZ 4.24Å
87	S	94	Very high	91.1	Very high	48 Å²	48	46.7 Å²	46.7	34%	0.336	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.6	173.4	-54.3	0	0	0	0	108.7	L77 H78	L77-S87 CarbonylContact O-C 3.6Å; L77-S87 WeakPolarHBondContact O-CA 3.35Å; H78-S87 WeakPolarHBondContact ND1-CB 3.46Å; H78-S87 PolarHBondContact ND1-OG 3.25Å
88	S	94.9	Very high	90.9	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-74.7	162.8	174.9	78.8	0	0	0	0	110.9	Q76 L77 Q101	Q76-S88 WeakPolarHBondContact CG-O 3.16Å; Q76-S88 PolarHBondContact NE2-O 3.36Å; L77-S88 PolarHBondContact N-OG 3.38Å; L77-S88 PolarHBondContact O-N 3Å; L77-S88 PolarHBondContact O-OG 3.47Å; S88-Q101 VanDerWaalsContact CB-OE1 3.27Å
89	K	92.7	Very high	90.7	Very high	128 Å²	128	52.6 Å²	52.6	56%	0.557	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-59.6	156.6	156.2	-61.2	179.5	-176.6	174	0	109.9	D28	D28-K89 VanDerWaalsContact OD2-CE 3.31Å; D28-K89 WeakPolarHBondContact OD2-CE 3.38Å; D28-K89 IonicContact OD2-NZ 3.55Å; D28-K89 PolarHBondContact OD2-NZ 3.15Å
90	L	91.1	Very high	90.6	Very high	78 Å²	78	57.5 Å²	57.5	41%	0.408	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-64.2	137.6	172.9	-58.3	-179.6	0	0	0	110.2	N74 L75 Q76 N139	N74-L90 HydrophobicContact CB-CB 4.16Å; L75-L90 WeakPolarHBondContact O-CA 3.35Å; Q76-L90 HydrophobicContact CB-CD2 3.8Å; Q76-L90 HydrophobicContact CG-CD2 4.02Å; L90-N139 HydrophobicContact CD2-CB 4.41Å; L90-N139 VanDerWaalsContact CD2-ND2 3.31Å; L90-N139 WeakPolarHBondContact CD2-ND2 3.35Å
91	F	91	Very high	90.6	Very high	16 Å²	16	58.5 Å²	58.5	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.7	174.8	55.7	-89.4	0	0	0	110.5	N74 L75 L77 P97 I99	N74-F91 CarbonylContact C-O 3.43Å; N74-F91 WeakPolarHBondContact CA-O 3.18Å; L75-F91 HydrophobicContact CB-CD2 3.79Å; L75-F91 HydrophobicContact CB-CE1 4.27Å; L75-F91 HydrophobicContact CB-CE2 3.37Å; L75-F91 HydrophobicContact CB-CG 4.42Å; L75-F91 HydrophobicContact CB-CZ 3.63Å; L75-F91 HydrophobicContact CD1-CE2 3.87Å; L75-F91 HydrophobicContact CG-CE2 4.2Å; L75-F91 PolarHBondContact N-O 2.95Å; L75-F91 WeakPolarHBondContact O-CD1 3.19Å; L75-F91 PolarHBondContact O-N 2.91Å; L77-F91 HydrophobicContact CB-CE1 4.04Å; L77-F91 HydrophobicContact CB-CZ 4.42Å; F91-P97 HydrophobicContact CD2-CB 3.75Å; F91-P97 HydrophobicContact CD2-CG 4.32Å; F91-P97 HydrophobicContact CE2-CB 4.13Å; F91-P97 HydrophobicContact CE2-CG 4.18Å; F91-I99 HydrophobicContact CD1-CG1 4.15Å; F91-I99 HydrophobicContact CD2-CD1 4.46Å; F91-I99 HydrophobicContact CD2-CG1 4.13Å; F91-I99 HydrophobicContact CE1-CD1 4.04Å; F91-I99 HydrophobicContact CE1-CG1 4.18Å; F91-I99 HydrophobicContact CE2-CD1 3.95Å; F91-I99 HydrophobicContact CE2-CG1 4.13Å; F91-I99 HydrophobicContact CG-CG1 4.13Å; F91-I99 HydrophobicContact CZ-CD1 3.74Å; F91-I99 HydrophobicContact CZ-CG1 4.18Å
92	Q	85.2	Confident	90.7	Very high	112 Å²	112	62.5 Å²	62.5	52%	0.523	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.6	-172.7	-169	-177.7	-18.9	0	0	111.6	T94	Q92-T94 HydrophobicContact CB-CG2 4.35Å; Q92-T94 HydrophobicContact CG-CG2 4.06Å; Q92-T94 PolarHBondContact O-N 2.99Å
93	C	81.6	Confident	91.1	Very high	15 Å²	15	60.1 Å²	60.1	10%	0.101	31%	0.31	C	S	.	.			trans	-66.3	105.3	170.4	-168.7	0	0	0	0	109.8	V73 L75	V73-C93 HydrophobicContact CB-CB 4.15Å; V73-C93 HydrophobicContact CG1-CB 4.5Å; V73-C93 WeakPolarHBondContact O-CB 3.25Å; V73-C93 PolarHBondContact O-N 3.46Å; L75-C93 HydrophobicContact CD1-CB 4.36Å; L75-C93 HydrophobicContact CD2-CB 4.39Å; L75-C93 HydrophobicContact CG-CB 4.06Å
94	T	85.1	Confident	91.4	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.288	29%	0.291	S	S	.	.			trans	-142.3	165.1	177.6	54.9	0	0	0	0	108.1	F53 Q92 E96 P97	F53-T94 WeakPolarHBondContact CB-O 3.19Å; Q92-T94 HydrophobicContact CB-CG2 4.35Å; Q92-T94 HydrophobicContact CG-CG2 4.06Å; Q92-T94 PolarHBondContact O-N 2.99Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 3.08Å; T94-P97 WeakPolarHBondContact O-CD 3.13Å; T94-P97 WeakPolarHBondContact OG1-CA 3.43Å
95	T	86.2	Confident	91.4	Very high	78 Å²	78	54.4 Å²	54.4	48%	0.479	28%	0.279	S	S	.	.	S	Bend	trans	-66	-30	178.8	48.1	0	0	0	0	113	R51 A52 F53 L57	R51-T95 CarbonylContact C-O 3.44Å; A52-T95 PolarHBondContact N-O 3.01Å; A52-T95 VanDerWaalsContact N-O 3.07Å; F53-T95 PolarHBondContact N-O 2.77Å; L57-T95 HydrophobicContact CD1-CG2 4.35Å
96	E	90.2	Very high	91	Very high	130 Å²	130	57.1 Å²	57.1	61%	0.607	29%	0.292	S	S	*	.	S	Bend	trans	-132.7	70.2	-179.6	-62	-171.9	154	0	0	111.5	G50 T94 I98	G50-E96 VanDerWaalsContact O-CA 3.25Å; G50-E96 WeakPolarHBondContact O-CA 3.43Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 3.08Å; E96-I98 PolarHBondContact O-N 3.12Å
97	P	89.6	Confident	90.5	Very high	2 Å²	2	54 Å²	54	1%	0.013	28%	0.278	C	S	.	.			trans	-73.5	130.6	-175.7	28.7	-32.2	0	0	0	111.2	Q49 G50 F53 F91 T94	Q49-P97 CarbonylContact C-O 3.55Å; Q49-P97 VanDerWaalsContact CA-O 3.26Å; Q49-P97 WeakPolarHBondContact CA-O 3.49Å; G50-P97 PolarHBondContact N-O 3.32Å; F53-P97 HydrophobicContact CD2-CG 3.94Å; F53-P97 HydrophobicContact CE2-CG 4.04Å; F53-P97 HydrophobicContact CG-CG 4.43Å; F91-P97 HydrophobicContact CD2-CB 3.75Å; F91-P97 HydrophobicContact CD2-CG 4.32Å; F91-P97 HydrophobicContact CE2-CB 4.13Å; F91-P97 HydrophobicContact CE2-CG 4.18Å; T94-P97 WeakPolarHBondContact O-CD 3.13Å; T94-P97 WeakPolarHBondContact OG1-CA 3.43Å
98	I	91.2	Very high	89.3	Confident	119 Å²	119	53 Å²	53	61%	0.61	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.8	172.9	-58.2	173	0	0	0	108.6	E96 N100	E96-I98 PolarHBondContact O-N 3.12Å; I98-N100 WeakPolarHBondContact CG2-ND2 3.4Å
99	I	92.8	Very high	87.7	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.062	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-50.5	-174	-60	171.8	0	0	0	111	V47 L48 F91 Q101 L196	V47-I99 HydrophobicContact CB-CG2 4.09Å; V47-I99 HydrophobicContact CG1-CB 3.97Å; V47-I99 HydrophobicContact CG1-CD1 3.64Å; V47-I99 HydrophobicContact CG1-CG1 4.39Å; V47-I99 HydrophobicContact CG1-CG2 3.86Å; L48-I99 PolarHBondContact O-N 2.97Å; F91-I99 HydrophobicContact CD1-CG1 4.15Å; F91-I99 HydrophobicContact CD2-CD1 4.46Å; F91-I99 HydrophobicContact CD2-CG1 4.13Å; F91-I99 HydrophobicContact CE1-CD1 4.04Å; F91-I99 HydrophobicContact CE1-CG1 4.18Å; F91-I99 HydrophobicContact CE2-CD1 3.95Å; F91-I99 HydrophobicContact CE2-CG1 4.13Å; F91-I99 HydrophobicContact CG-CG1 4.13Å; F91-I99 HydrophobicContact CZ-CD1 3.74Å; F91-I99 HydrophobicContact CZ-CG1 4.18Å; I99-Q101 HydrophobicContact CG2-CB 4.19Å; I99-Q101 HydrophobicContact CG2-CG 4.37Å; I99-Q101 WeakPolarHBondContact O-CG 3.44Å; I99-Q101 PolarHBondContact O-N 2.99Å; I99-L196 HydrophobicContact CD1-CD2 4.01Å
100	N	93.8	Very high	85.8	Confident	102 Å²	102	49.3 Å²	49.3	55%	0.545	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	42.3	55.4	179.3	-69.8	-29.8	0	0	0	114.6	V47 L48 I98	V47-N100 CarbonylContact O-C 3.5Å; V47-N100 WeakPolarHBondContact O-CA 2.94Å; V47-N100 PolarHBondContact O-N 3.42Å; L48-N100 PolarHBondContact O-N 3.23Å; L48-N100 PolarHBondContact O-OD1 3.26Å; I98-N100 WeakPolarHBondContact CG2-ND2 3.4Å
101	Q	95.6	Very high	83.8	Confident	38 Å²	38	52.4 Å²	52.4	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.6	178	-75	176.9	63.2	0	0	111.6	E46 V47 S88 I99 F103	E46-Q101 CarbonylContact C-O 3.51Å; E46-Q101 WeakPolarHBondContact CA-O 3.4Å; V47-Q101 PolarHBondContact N-O 2.94Å; V47-Q101 PolarHBondContact O-N 3.44Å; S88-Q101 VanDerWaalsContact CB-OE1 3.27Å; I99-Q101 HydrophobicContact CG2-CB 4.19Å; I99-Q101 HydrophobicContact CG2-CG 4.37Å; I99-Q101 WeakPolarHBondContact O-CG 3.44Å; I99-Q101 PolarHBondContact O-N 2.99Å; Q101-F103 HydrophobicContact CB-CE2 4.25Å; Q101-F103 HydrophobicContact CB-CZ 4.16Å
102	I	95.6	Very high	81.7	Confident	93 Å²	93	58.7 Å²	58.7	48%	0.477	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.3	-172.2	-58.6	173	0	0	0	109.3	V44 E46	V44-I102 HydrophobicContact CG1-CG2 3.36Å; E46-I102 HydrophobicContact CB-CG1 4.03Å; E46-I102 HydrophobicContact CG-CG1 3.86Å
103	F	95.9	Very high	79.7	Confident	12 Å²	12	55.1 Å²	55.1	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.1	177.1	-54.6	-73.5	0	0	0	109.7	V44 V45 V47 L77 I79 F86 Q101 F105	V44-F103 CarbonylContact C-O 3.53Å; V44-F103 WeakPolarHBondContact CA-O 3.26Å; V45-F103 PolarHBondContact N-O 3.48Å; V45-F103 PolarHBondContact O-N 3.04Å; V47-F103 HydrophobicContact CG2-CD2 4Å; V47-F103 HydrophobicContact CG2-CE2 3.72Å; L77-F103 HydrophobicContact CD2-CE2 3.94Å; L77-F103 HydrophobicContact CD2-CZ 4.21Å; I79-F103 HydrophobicContact CD1-CD2 4.43Å; I79-F103 HydrophobicContact CG2-CB 4.08Å; I79-F103 HydrophobicContact CG2-CD1 3.82Å; I79-F103 HydrophobicContact CG2-CD2 3.76Å; I79-F103 HydrophobicContact CG2-CE1 4.13Å; I79-F103 HydrophobicContact CG2-CE2 4.09Å; I79-F103 HydrophobicContact CG2-CG 3.59Å; I79-F103 HydrophobicContact CG2-CZ 4.26Å; F86-F103 HydrophobicContact CB-CD1 3.3Å; F86-F103 HydrophobicContact CB-CE1 3.66Å; F86-F103 HydrophobicContact CB-CG 4.28Å; F86-F103 HydrophobicContact CD2-CB 4.2Å; F86-F103 HydrophobicContact CD2-CD1 4.25Å; F86-F103 AromaticContact CG-CD1 3.87Å; F86-F103 HydrophobicContact CG-CD1 3.87Å; Q101-F103 HydrophobicContact CB-CE2 4.25Å; Q101-F103 HydrophobicContact CB-CZ 4.16Å; F103-F105 HydrophobicContact CB-CE2 4Å; F103-F105 HydrophobicContact CB-CZ 4.14Å
104	C	93.4	Very high	78	Confident	20 Å²	20	65 Å²	65	14%	0.135	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.4	-177.5	-63.2	0	0	0	0	110.5	I35 V42 L43 F86	I35-C104 HydrophobicContact CD1-CB 3.59Å; V42-C104 HydrophobicContact CG1-CB 4.22Å; L43-C104 CarbonylContact O-C 3.58Å; F86-C104 WeakPolarHBondContact CE2-O 3.43Å; F86-C104 WeakPolarHBondContact CZ-O 3.37Å
105	F	91.7	Very high	76.1	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	-179.5	-58.7	-74.2	0	0	0	109.8	V42 L43 V45 I79 Y81 C84 F86 F103 L107	V42-F105 CarbonylContact C-O 3.6Å; V42-F105 WeakPolarHBondContact CA-O 3.39Å; L43-F105 HydrophobicContact CB-CB 4.34Å; L43-F105 HydrophobicContact CD2-CD2 4.42Å; L43-F105 PolarHBondContact N-O 2.94Å; L43-F105 PolarHBondContact O-N 2.85Å; V45-F105 HydrophobicContact CB-CE2 4.27Å; V45-F105 HydrophobicContact CG2-CD2 3.99Å; V45-F105 HydrophobicContact CG2-CE2 3.78Å; I79-F105 HydrophobicContact CB-CZ 4.42Å; I79-F105 HydrophobicContact CD1-CE2 3.9Å; I79-F105 HydrophobicContact CD1-CZ 3.92Å; I79-F105 HydrophobicContact CG1-CE2 4.27Å; I79-F105 HydrophobicContact CG1-CZ 3.79Å; I79-F105 HydrophobicContact CG2-CZ 3.99Å; Y81-F105 HydrophobicContact CD1-CB 3.89Å; Y81-F105 HydrophobicContact CD1-CD1 4.37Å; Y81-F105 HydrophobicContact CD1-CG 4.27Å; Y81-F105 HydrophobicContact CG-CB 4.44Å; Y81-F105 HydrophobicContact CG-CD1 4.4Å; Y81-F105 HydrophobicContact CG-CG 4.37Å; C84-F105 HydrophobicContact CB-CD1 3.67Å; C84-F105 HydrophobicContact CB-CE1 4.09Å; F86-F105 HydrophobicContact CD2-CD1 4.32Å; F86-F105 AromaticContact CD2-CE1 3.59Å; F86-F105 HydrophobicContact CD2-CE1 3.59Å; F86-F105 AromaticContact CD2-CZ 3.9Å; F86-F105 HydrophobicContact CD2-CZ 3.9Å; F86-F105 AromaticContact CE2-CD1 3.88Å; F86-F105 HydrophobicContact CE2-CD1 3.88Å; F86-F105 AromaticContact CE2-CE1 3.62Å; F86-F105 HydrophobicContact CE2-CE1 3.62Å; F86-F105 HydrophobicContact CE2-CZ 4.24Å; F103-F105 HydrophobicContact CB-CE2 4Å; F103-F105 HydrophobicContact CB-CZ 4.14Å; F105-L107 PolarHBondContact O-N 2.86Å
106	E	85.9	Confident	74.3	Confident	70 Å²	70	72.6 Å²	72.6	33%	0.327	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.2	171.1	-173.3	173.4	-154.2	0	0	109	S39 S109	S39-E106 VanDerWaalsContact CB-OE1 3.24Å; S39-E106 WeakPolarHBondContact CB-OE1 3.46Å; S39-E106 VanDerWaalsContact OG-CD 3.27Å; S39-E106 PolarHBondContact OG-OE1 3.35Å; E106-S109 VanDerWaalsContact OE1-CA 3.23Å; E106-S109 WeakPolarHBondContact OE1-CA 3.43Å; E106-S109 PolarHBondContact OE1-OG 2.98Å
107	L	82.2	Confident	72.5	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.052	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-39.2	-178.7	-62.4	173.4	0	0	0	110.9	A41 L43 Y81 F105 L123 W156 L202	A41-L107 HydrophobicContact CB-CB 4.27Å; A41-L107 HydrophobicContact CB-CD1 4.3Å; A41-L107 PolarHBondContact O-N 2.99Å; L43-L107 HydrophobicContact CB-CD1 3.85Å; L43-L107 HydrophobicContact CB-CD2 3.76Å; L43-L107 HydrophobicContact CB-CG 3.93Å; L43-L107 HydrophobicContact CD2-CD2 4.46Å; Y81-L107 HydrophobicContact CD1-CD2 4.48Å; Y81-L107 HydrophobicContact CE1-CD2 3.57Å; F105-L107 PolarHBondContact O-N 2.86Å; L107-L123 HydrophobicContact CB-CD1 3.96Å; L107-L123 HydrophobicContact CB-CD2 4.03Å; L107-L123 HydrophobicContact CD1-CD2 3.63Å; L107-L123 HydrophobicContact CG-CD2 4.37Å; L107-W156 HydrophobicContact CD1-CH2 3.89Å; L107-W156 HydrophobicContact CD1-CZ2 4.2Å; L107-W156 HydrophobicContact CD1-CZ3 4.4Å; L107-W156 HydrophobicContact CD2-CH2 4.36Å; L107-W156 HydrophobicContact CD2-CZ2 3.82Å; L107-L202 HydrophobicContact CD1-CD1 3.43Å; L107-L202 VanDerWaalsContact CD1-CD1 3.43Å
108	I	70.6	Confident	70.7	Confident	27 Å²	27	74.3 Å²	74.3	14%	0.138	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.8	-179.4	-60.5	148.8	0	0	0	108.2	T40 A41 V118 L123	T40-I108 PolarHBondContact N-O 2.9Å; T40-I108 WeakPolarHBondContact OG1-CB 3.25Å; T40-I108 WeakPolarHBondContact OG1-CG2 3.37Å; A41-I108 HydrophobicContact CB-CD1 4.2Å; I108-V118 HydrophobicContact CD1-CB 4.31Å; I108-V118 HydrophobicContact CD1-CG1 3.34Å; I108-V118 HydrophobicContact CG1-CG1 4.07Å; I108-V118 HydrophobicContact CG2-CG1 4.35Å; I108-V118 HydrophobicContact CG2-CG2 4.3Å; I108-L123 HydrophobicContact CD1-CB 4.42Å; I108-L123 HydrophobicContact CD1-CD1 4.41Å; I108-L123 HydrophobicContact CD1-CD2 4.43Å; I108-L123 HydrophobicContact CG1-CD1 4.31Å
109	S	61.3	Low	69	Low	40 Å²	40	70.3 Å²	70.3	28%	0.28	38%	0.375	S	S	.	.			trans	-82.2	131.4	174.1	-163.5	0	0	0	0	111.5	E106 N111 L112	E106-S109 VanDerWaalsContact OE1-CA 3.23Å; E106-S109 WeakPolarHBondContact OE1-CA 3.43Å; E106-S109 PolarHBondContact OE1-OG 2.98Å; S109-N111 PolarHBondContact O-N 3.18Å; S109-L112 PolarHBondContact O-N 3.28Å; S109-L112 VanDerWaalsContact O-N 3.12Å
110	G	51.8	Low	67.3	Low	15 Å²	15	71 Å²	71	16%	0.155	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-56.8	-17.2	-177.6	0	0	0	0	0	114.9	S38 L112 S113	S38-G110 WeakPolarHBondContact O-CA 3.25Å; G110-L112 VanDerWaalsContact C-N 3.27Å; G110-L112 PolarHBondContact O-N 3.38Å; G110-S113 PolarHBondContact O-N 2.86Å; G110-S113 PolarHBondContact O-OG 3.26Å
111	N	48.6	Very low	65.8	Low	143 Å²	143	71.3 Å²	71.3	77%	0.765	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22	178.5	-70	-12.3	0	0	0	113.6	S109 S113	S109-N111 PolarHBondContact O-N 3.18Å; N111-S113 VanDerWaalsContact C-N 3.35Å
112	L	48	Very low	64.3	Low	148 Å²	148	73.7 Å²	73.7	78%	0.775	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-81.9	-9.2	178.4	-85.6	138.4	0	0	0	113.8	S109 G110	S109-L112 PolarHBondContact O-N 3.28Å; S109-L112 VanDerWaalsContact O-N 3.12Å; G110-L112 VanDerWaalsContact C-N 3.27Å; G110-L112 PolarHBondContact O-N 3.38Å
113	S	42.8	Very low	62.8	Low	37 Å²	37	69.7 Å²	69.7	26%	0.259	37%	0.37	S	S	.	.			trans	-117.9	36.9	-167.4	71	0	0	0	0	115.1	G110 N111 G115	G110-S113 PolarHBondContact O-N 2.86Å; G110-S113 PolarHBondContact O-OG 3.26Å; N111-S113 VanDerWaalsContact C-N 3.35Å; S113-G115 PolarHBondContact O-N 2.78Å
114	K	46.3	Very low	61.2	Low	221 Å²	221	69.5 Å²	69.5	96%	0.961	37%	0.369	S	S	*	.	S	Bend	trans	-73.1	71.4	156	-73.3	-169.6	-179.2	-179.4	0	109.1
115	G	45.8	Very low	59.8	Low	74 Å²	74	72.8 Å²	72.8	76%	0.763	38%	0.382	S	S	*	.	S	Bend	trans	127.6	-4.1	164.8	0	0	0	0	0	118.4	S113	S113-G115 PolarHBondContact O-N 2.78Å
116	R	47.5	Very low	58.6	Low	211 Å²	211	75.8 Å²	75.8	80%	0.796	40%	0.398	S	S	*	.			trans	-109	120	170.3	-72	-174.2	-178.8	179.3	1.4	109.8	V118	R116-V118 PolarHBondContact O-N 2.8Å
117	D	52.1	Low	57.8	Low	120 Å²	120	78.8 Å²	78.8	64%	0.642	41%	0.406	S	S	*	.			trans	-57.4	102.6	164	-82.5	-9.3	0	0	0	107.5	T119 N210	D117-T119 PolarHBondContact O-N 2.86Å; D117-N210 PolarHBondContact OD2-ND2 3.41Å
118	V	51.9	Low	57.3	Low	48 Å²	48	81.2 Å²	81.2	29%	0.291	42%	0.422	S	S	.	.			trans	-77.6	104.5	173.5	-172.3	0	0	0	0	107.3	I108 R116 N122	I108-V118 HydrophobicContact CD1-CB 4.31Å; I108-V118 HydrophobicContact CD1-CG1 3.34Å; I108-V118 HydrophobicContact CG1-CG1 4.07Å; I108-V118 HydrophobicContact CG2-CG1 4.35Å; I108-V118 HydrophobicContact CG2-CG2 4.3Å; R116-V118 PolarHBondContact O-N 2.8Å; V118-N122 HydrophobicContact CG1-CB 4.43Å
119	T	55.9	Low	57.4	Low	36 Å²	36	81.3 Å²	81.3	22%	0.221	42%	0.424	C	S	.	.			trans	-79.4	151.9	174.8	56.4	0	0	0	0	110.1	D117 E121 N122 L123	D117-T119 PolarHBondContact O-N 2.86Å; T119-E121 PolarHBondContact O-N 2.73Å; T119-N122 WeakPolarHBondContact O-CB 3.25Å; T119-N122 PolarHBondContact O-N 3.22Å; T119-N122 PolarHBondContact OG1-N 3.12Å; T119-N122 PolarHBondContact OG1-ND2 2.84Å; T119-N122 PolarHBondContact OG1-OD1 2.79Å; T119-L123 PolarHBondContact O-N 3.34Å
120	L	56.5	Low	58.4	Low	26 Å²	26	80.4 Å²	80.4	14%	0.136	42%	0.419	C	S	.	.	H	α-helix	trans	-57.8	-33.3	169.3	-177.5	75.1	0	0	0	109.6	N122 L123 L124 L202 W213 L236	L120-N122 VanDerWaalsContact C-N 3.27Å; L120-N122 PolarHBondContact O-N 2.76Å; L120-L123 HydrophobicContact CD1-CD2 4.11Å; L120-L123 WeakPolarHBondContact O-CA 3.39Å; L120-L123 WeakPolarHBondContact O-CB 3.4Å; L120-L123 PolarHBondContact O-N 2.96Å; L120-L124 HydrophobicContact CD1-CG 4.49Å; L120-L124 HydrophobicContact CD2-CD1 4.02Å; L120-L124 HydrophobicContact CG-CD1 3.67Å; L120-L124 HydrophobicContact CG-CG 3.96Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 2.69Å; L120-L202 HydrophobicContact CD1-CD2 3.9Å; L120-W213 HydrophobicContact CB-CH2 3.04Å; L120-W213 HydrophobicContact CB-CZ2 3.93Å; L120-W213 HydrophobicContact CB-CZ3 3.44Å; L120-W213 VanDerWaalsContact CB-CZ3 3.44Å; L120-W213 HydrophobicContact CD2-CH2 4.39Å; L120-W213 HydrophobicContact CD2-CZ3 3.9Å; L120-W213 HydrophobicContact CG-CH2 4.28Å; L120-W213 HydrophobicContact CG-CZ3 4.29Å; L120-W213 VanDerWaalsContact N-CZ2 3.27Å; L120-L236 HydrophobicContact CD2-CD1 4.1Å
121	E	61.7	Low	60.3	Low	109 Å²	109	84.3 Å²	84.3	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-49.8	-45.9	170.1	-65.4	176	176.9	0	0	112.2	T119 L123 L124 F125	T119-E121 PolarHBondContact O-N 2.73Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.2Å; E121-L124 PolarHBondContact O-N 3.02Å; E121-F125 HydrophobicContact CB-CD2 4.04Å; E121-F125 HydrophobicContact CB-CE2 3.9Å; E121-F125 HydrophobicContact CG-CE2 4.29Å; E121-F125 WeakPolarHBondContact O-CB 3.43Å; E121-F125 WeakPolarHBondContact O-CD2 3.37Å; E121-F125 WeakPolarHBondContact O-CG 3.36Å; E121-F125 PolarHBondContact O-N 3.17Å
122	N	64.3	Low	62.5	Low	88 Å²	88	77.5 Å²	77.5	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-35.5	177.4	-66.6	-14.4	0	0	0	112.8	V118 T119 L120 D126	V118-N122 HydrophobicContact CG1-CB 4.43Å; T119-N122 WeakPolarHBondContact O-CB 3.25Å; T119-N122 PolarHBondContact O-N 3.22Å; T119-N122 PolarHBondContact OG1-N 3.12Å; T119-N122 PolarHBondContact OG1-ND2 2.84Å; T119-N122 PolarHBondContact OG1-OD1 2.79Å; L120-N122 VanDerWaalsContact C-N 3.27Å; L120-N122 PolarHBondContact O-N 2.76Å; N122-D126 PolarHBondContact O-N 3.46Å; N122-D126 VanDerWaalsContact O-N 3.09Å
123	L	64.1	Low	64.8	Low	8 Å²	8	71.1 Å²	71.1	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-72	-33.9	176	-178.1	64.7	0	0	0	111.9	L107 I108 T119 L120 E121 W156	L107-L123 HydrophobicContact CB-CD1 3.96Å; L107-L123 HydrophobicContact CB-CD2 4.03Å; L107-L123 HydrophobicContact CD1-CD2 3.63Å; L107-L123 HydrophobicContact CG-CD2 4.37Å; I108-L123 HydrophobicContact CD1-CB 4.42Å; I108-L123 HydrophobicContact CD1-CD1 4.41Å; I108-L123 HydrophobicContact CD1-CD2 4.43Å; I108-L123 HydrophobicContact CG1-CD1 4.31Å; T119-L123 PolarHBondContact O-N 3.34Å; L120-L123 HydrophobicContact CD1-CD2 4.11Å; L120-L123 WeakPolarHBondContact O-CA 3.39Å; L120-L123 WeakPolarHBondContact O-CB 3.4Å; L120-L123 PolarHBondContact O-N 2.96Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.2Å; L123-W156 HydrophobicContact CD2-CH2 3.69Å; L123-W156 HydrophobicContact CD2-CZ2 4.35Å; L123-W156 HydrophobicContact CG-CH2 3.98Å; L123-W156 HydrophobicContact CG-CZ2 4.33Å
124	L	62.8	Low	67.4	Low	8 Å²	8	69.4 Å²	69.4	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-76.5	-36.4	-178.9	-66.6	170.5	0	0	0	111.7	L120 E121 R157 M161	L120-L124 HydrophobicContact CD1-CG 4.49Å; L120-L124 HydrophobicContact CD2-CD1 4.02Å; L120-L124 HydrophobicContact CG-CD1 3.67Å; L120-L124 HydrophobicContact CG-CG 3.96Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 2.69Å; E121-L124 PolarHBondContact O-N 3.02Å; L124-R157 HydrophobicContact CD2-CB 4.03Å; L124-R157 HydrophobicContact CD2-CG 4.06Å; L124-R157 PolarHBondContact O-NH1 3.03Å; L124-M161 HydrophobicContact CB-CE 4.39Å; L124-M161 HydrophobicContact CB-SD 4.01Å; L124-M161 HydrophobicContact CD1-CE 3.53Å; L124-M161 HydrophobicContact CD1-CG 3.86Å; L124-M161 HydrophobicContact CD1-SD 3.43Å; L124-M161 WeakPolarHBondContact CD1-SD 3.28Å; L124-M161 HydrophobicContact CD2-CE 4.42Å; L124-M161 HydrophobicContact CD2-CG 3.71Å; L124-M161 HydrophobicContact CD2-SD 3.18Å; L124-M161 WeakPolarHBondContact CD2-SD 3.44Å; L124-M161 HydrophobicContact CG-CE 4.28Å; L124-M161 HydrophobicContact CG-CG 4.35Å; L124-M161 HydrophobicContact CG-SD 3.64Å
125	F	65.1	Low	69.8	Low	90 Å²	90	58.9 Å²	58.9	40%	0.395	30%	0.304	S	S	.	.	S	Bend	trans	-96	11.9	177.1	-55.4	-56.3	0	0	0	113.4	E121 R127 H247	E121-F125 HydrophobicContact CB-CD2 4.04Å; E121-F125 HydrophobicContact CB-CE2 3.9Å; E121-F125 HydrophobicContact CG-CE2 4.29Å; E121-F125 WeakPolarHBondContact O-CB 3.43Å; E121-F125 WeakPolarHBondContact O-CD2 3.37Å; E121-F125 WeakPolarHBondContact O-CG 3.36Å; E121-F125 PolarHBondContact O-N 3.17Å; F125-R127 PolarHBondContact O-N 2.85Å; F125-H247 AromaticContact CD1-CE1 3.39Å; F125-H247 WeakPolarHBondContact CD1-CE1 3.34Å; F125-H247 AromaticContact CD1-NE2 3.59Å; F125-H247 AromaticContact CE1-CE1 3.37Å; F125-H247 WeakPolarHBondContact CE1-CE1 3.43Å; F125-H247 AromaticContact CE1-ND1 3.73Å; F125-H247 AromaticContact CE1-NE2 3.58Å
126	D	66.6	Low	72.1	Confident	63 Å²	63	55.3 Å²	55.3	34%	0.337	27%	0.268	S	S	.	.			trans	-56.5	131.8	175.4	-164.2	17.9	0	0	0	109.1	K82 N122	K82-D126 IonicContact NZ-OD2 3.4Å; K82-D126 PolarHBondContact NZ-OD2 3.05Å; N122-D126 PolarHBondContact O-N 3.46Å; N122-D126 VanDerWaalsContact O-N 3.09Å
127	R	68	Low	74.3	Confident	133 Å²	133	45.3 Å²	45.3	50%	0.502	23%	0.23	S	C	.	.	S	Bend	trans	-132	125.9	179.4	-65.6	-167.3	-168.9	166.9	18.4	109.1	F125 R254	F125-R127 PolarHBondContact O-N 2.85Å; R127-R254 VanDerWaalsContact CZ-NH1 3.31Å
128	P	71.9	Confident	76.1	Confident	60 Å²	60	40 Å²	40	39%	0.39	20%	0.202	S	C	.	.	S	Bend	cis	-73.6	152.6	4.2	31.3	-36.4	0	0	0	113.8	A130 N485 Y486	P128-A130 PolarHBondContact O-N 2.87Å; P128-N485 VanDerWaalsContact CB-O 3.31Å; P128-N485 WeakPolarHBondContact CB-O 3.29Å; P128-N485 WeakPolarHBondContact CG-O 3.33Å; P128-Y486 HydrophobicContact CB-CD1 3.64Å; P128-Y486 HydrophobicContact CB-CE1 3.8Å; P128-Y486 HydrophobicContact CB-CG 4.25Å
129	V	73.1	Confident	77.8	Confident	30 Å²	30	38.7 Å²	38.7	18%	0.182	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-70.6	126.4	175.9	175.9	0	0	0	0	109.5	F131 R157	V129-F131 HydrophobicContact CB-CE2 4.45Å; V129-F131 HydrophobicContact CG1-CE1 4.22Å; V129-F131 HydrophobicContact CG1-CE2 4.13Å; V129-F131 HydrophobicContact CG1-CZ 3.96Å; V129-R157 VanDerWaalsContact CG1-CZ 3.48Å
130	A	81.9	Confident	78.8	Confident	21 Å²	21	38.8 Å²	38.8	17%	0.174	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-94.5	119.5	172.6	0	0	0	0	0	110.6	Y81 K82 P128	Y81-A130 HydrophobicContact CD2-CB 4.39Å; Y81-A130 HydrophobicContact CE2-CB 3.73Å; Y81-A130 WeakPolarHBondContact CE2-O 3.49Å; K82-A130 HydrophobicContact CD-CB 4.35Å; K82-A130 HydrophobicContact CG-CB 3.71Å; P128-A130 PolarHBondContact O-N 2.87Å
131	F	91.8	Very high	79.2	Confident	96 Å²	96	43.2 Å²	43.2	42%	0.421	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-87	155.5	172.1	-60.8	-83.7	0	0	0	110.8	V129 D155	V129-F131 HydrophobicContact CB-CE2 4.45Å; V129-F131 HydrophobicContact CG1-CE1 4.22Å; V129-F131 HydrophobicContact CG1-CE2 4.13Å; V129-F131 HydrophobicContact CG1-CZ 3.96Å; F131-D155 HydrophobicContact CD1-CB 3.89Å; F131-D155 HydrophobicContact CE1-CB 3.81Å
132	V	94.9	Very high	79	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.7	166.4	178.6	0	0	0	0	107.5	L43 I79 A80 Y81 I134 Y153 F154	L43-V132 HydrophobicContact CD2-CG2 4.24Å; I79-V132 HydrophobicContact CD1-CG1 3.74Å; I79-V132 HydrophobicContact CG1-CG1 3.63Å; A80-V132 WeakPolarHBondContact O-CA 3.28Å; Y81-V132 HydrophobicContact CD2-CG2 3.72Å; Y81-V132 HydrophobicContact CG-CG2 4.29Å; V132-I134 HydrophobicContact CG1-CG1 4.46Å; V132-Y153 CarbonylContact O-C 3.54Å; V132-Y153 WeakPolarHBondContact O-CA 3.22Å; V132-F154 HydrophobicContact CB-CD1 3.92Å; V132-F154 HydrophobicContact CB-CE1 3.45Å; V132-F154 VanDerWaalsContact CB-CE1 3.45Å; V132-F154 HydrophobicContact CB-CE2 4.28Å; V132-F154 HydrophobicContact CB-CZ 3.66Å; V132-F154 HydrophobicContact CG1-CD1 4.18Å; V132-F154 HydrophobicContact CG1-CE1 3.37Å; V132-F154 HydrophobicContact CG1-CZ 3.74Å; V132-F154 HydrophobicContact CG2-CE1 4.33Å; V132-F154 HydrophobicContact CG2-CE2 4.43Å; V132-F154 HydrophobicContact CG2-CZ 4.04Å; V132-F154 PolarHBondContact N-O 3.35Å; V132-F154 PolarHBondContact O-N 3.18Å
133	Q	96.5	Very high	78.7	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.065	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.6	173	-169.2	-175.7	4	0	0	109.3	I79 A80 V135 S151 T152 Y153 S344 L346	I79-Q133 VanDerWaalsContact CA-O 3.32Å; I79-Q133 WeakPolarHBondContact CA-O 3.26Å; A80-Q133 PolarHBondContact N-O 2.98Å; A80-Q133 PolarHBondContact O-N 2.86Å; Q133-V135 HydrophobicContact CG-CG2 4.25Å; Q133-S151 PolarHBondContact NE2-OG 3.3Å; Q133-T152 CarbonylContact C-O 3.55Å; Q133-T152 WeakPolarHBondContact CA-O 3.38Å; Q133-Y153 HydrophobicContact CB-CD1 3.8Å; Q133-Y153 HydrophobicContact CB-CE1 3.78Å; Q133-Y153 VanDerWaalsContact CD-CE1 3.42Å; Q133-Y153 VanDerWaalsContact CD-CZ 3.42Å; Q133-Y153 HydrophobicContact CG-CD1 3.81Å; Q133-Y153 HydrophobicContact CG-CE1 3.51Å; Q133-Y153 HydrophobicContact CG-CE2 4.25Å; Q133-Y153 HydrophobicContact CG-CG 4.32Å; Q133-Y153 PolarHBondContact NE2-OH 3.22Å; Q133-S344 PolarHBondContact NE2-OG 3.45Å; Q133-L346 HydrophobicContact CB-CD2 3.9Å; Q133-L346 HydrophobicContact CG-CD2 3.77Å; Q133-L346 VanDerWaalsContact OE1-CB 3.23Å
134	I	97	Very high	78.9	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	171.2	-64.9	176.4	0	0	0	107.7	L77 H78 I79 V132 T152 F154 L182 L196 L198	L77-I134 HydrophobicContact CD1-CG2 3.89Å; L77-I134 HydrophobicContact CD2-CG2 4.43Å; L77-I134 HydrophobicContact CG-CG2 3.92Å; H78-I134 CarbonylContact O-C 3.54Å; H78-I134 WeakPolarHBondContact O-CA 3.29Å; I79-I134 HydrophobicContact CD1-CD1 4.41Å; I79-I134 HydrophobicContact CD1-CG1 4.05Å; I79-I134 HydrophobicContact CG1-CG1 3.97Å; V132-I134 HydrophobicContact CG1-CG1 4.46Å; I134-T152 PolarHBondContact N-O 3.46Å; I134-T152 PolarHBondContact O-N 3.42Å; I134-F154 HydrophobicContact CD1-CD1 4.15Å; I134-F154 HydrophobicContact CD1-CE1 3.6Å; I134-F154 HydrophobicContact CG1-CD1 4.49Å; I134-F154 HydrophobicContact CG1-CE1 4.03Å; I134-L182 HydrophobicContact CG2-CD2 4.46Å; I134-L196 HydrophobicContact CD1-CD1 4.23Å; I134-L196 HydrophobicContact CG2-CD1 3.92Å; I134-L198 HydrophobicContact CD1-CD1 4.06Å
135	V	96.5	Very high	79.7	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.4	174.3	168	0	0	0	0	108.8	L77 H78 Q133 T137 L148 S150 L346 A347	L77-V135 CarbonylContact C-O 3.54Å; H78-V135 HydrophobicContact CB-CB 4.34Å; H78-V135 PolarHBondContact N-O 3.5Å; H78-V135 PolarHBondContact O-N 2.8Å; Q133-V135 HydrophobicContact CG-CG2 4.25Å; V135-T137 HydrophobicContact CG1-CG2 4.03Å; V135-L148 HydrophobicContact CG1-CD1 3.51Å; V135-S150 CarbonylContact C-O 3.53Å; V135-S150 VanDerWaalsContact CA-O 3.27Å; V135-S150 WeakPolarHBondContact CA-O 3.36Å; V135-L346 HydrophobicContact CB-CD2 4.36Å; V135-L346 HydrophobicContact CB-CG 4.39Å; V135-L346 HydrophobicContact CG2-CB 4.47Å; V135-L346 HydrophobicContact CG2-CD2 3.81Å; V135-L346 HydrophobicContact CG2-CG 3.87Å; V135-A347 HydrophobicContact CG2-CB 4.32Å
136	I	95	Very high	80.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.4	171.7	-59.5	-165.6	0	0	0	108.9	F53 L75 Q76 I149 S150 L182 L196	F53-I136 HydrophobicContact CE1-CD1 3.81Å; F53-I136 HydrophobicContact CZ-CD1 3.84Å; L75-I136 HydrophobicContact CB-CG2 4.48Å; Q76-I136 WeakPolarHBondContact O-CA 3.29Å; I136-I149 HydrophobicContact CB-CB 4.31Å; I136-I149 HydrophobicContact CB-CG2 3.99Å; I136-I149 HydrophobicContact CG2-CB 4.09Å; I136-I149 HydrophobicContact CG2-CD1 4.26Å; I136-I149 HydrophobicContact CG2-CG2 3.8Å; I136-I149 WeakPolarHBondContact O-CB 3.4Å; I136-I149 PolarHBondContact O-N 3.07Å; I136-S150 PolarHBondContact N-O 3.41Å; I136-S150 PolarHBondContact O-N 3.29Å; I136-L182 HydrophobicContact CD1-CD1 3.35Å; I136-L182 HydrophobicContact CG1-CD1 4.32Å; I136-L196 HydrophobicContact CD1-CD1 4.4Å
137	T	93.3	Very high	81.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.7	175.7	61.2	0	0	0	0	110.7	L75 Q76 H78 V135 S147	L75-T137 CarbonylContact C-O 3.52Å; L75-T137 WeakPolarHBondContact CA-O 3.45Å; Q76-T137 PolarHBondContact N-O 3.1Å; Q76-T137 PolarHBondContact O-N 3.14Å; H78-T137 PolarHBondContact NE2-OG1 2.77Å; H78-T137 VanDerWaalsContact NE2-OG1 3.12Å; V135-T137 HydrophobicContact CG1-CG2 4.03Å; T137-S147 CarbonylContact C-O 3.58Å; T137-S147 WeakPolarHBondContact CA-O 3.39Å; T137-S147 WeakPolarHBondContact CB-O 3.49Å
138	S	90.2	Very high	82.9	Confident	9 Å²	9	36.2 Å²	36.2	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.9	165.4	23.7	0	0	0	0	110.1	N74 R146 S147 I149	N74-S138 CarbonylContact O-C 3.58Å; N74-S138 WeakPolarHBondContact O-CA 3.26Å; S138-R146 CarbonylContact O-C 3.59Å; S138-R146 WeakPolarHBondContact O-CA 3.42Å; S138-S147 PolarHBondContact N-O 2.81Å; S138-S147 PolarHBondContact O-N 3.22Å; S138-S147 PolarHBondContact OG-O 2.83Å; S138-S147 PolarHBondContact OG-OG 2.82Å; S138-I149 WeakPolarHBondContact OG-CD1 3.45Å
139	N	86.1	Confident	83.8	Confident	21 Å²	21	33.6 Å²	33.6	11%	0.112	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	106.7	174.6	-66.8	15.9	0	0	0	107.3	N74 Q76 L90 R146	N74-N139 PolarHBondContact N-O 2.74Å; N74-N139 PolarHBondContact O-N 2.98Å; Q76-N139 PolarHBondContact OE1-ND2 2.99Å; L90-N139 HydrophobicContact CD2-CB 4.41Å; L90-N139 VanDerWaalsContact CD2-ND2 3.31Å; L90-N139 WeakPolarHBondContact CD2-ND2 3.35Å; N139-R146 WeakPolarHBondContact OD1-CG 3.42Å
140	M	78	Confident	84.7	Confident	37 Å²	37	32.2 Å²	32.2	18%	0.182	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.5	174.5	-63.9	-68.5	-167.8	0	0	109.4	V73 S142 G144 K145	V73-M140 HydrophobicContact CB-CE 4.28Å; V73-M140 HydrophobicContact CB-SD 3.84Å; V73-M140 HydrophobicContact CG1-CE 3.94Å; V73-M140 HydrophobicContact CG1-SD 3.75Å; V73-M140 HydrophobicContact CG2-CE 3.46Å; V73-M140 VanDerWaalsContact CG2-CE 3.46Å; V73-M140 HydrophobicContact CG2-SD 3.28Å; V73-M140 WeakPolarHBondContact CG2-SD 3.27Å; M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.49Å; M140-G144 CarbonylContact O-C 3.56Å; M140-G144 WeakPolarHBondContact O-CA 3.48Å; M140-G144 PolarHBondContact O-N 2.84Å; M140-K145 PolarHBondContact N-O 3.22Å
141	F	65	Low	85.3	Confident	120 Å²	120	31.2 Å²	31.2	53%	0.526	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.9	177.4	-77.4	-74.4	0	0	0	113.2	D72 N74 G144	D72-F141 HydrophobicContact CB-CB 4.27Å; D72-F141 HydrophobicContact CB-CD2 4.08Å; D72-F141 WeakPolarHBondContact O-CD2 3.43Å; D72-F141 PolarHBondContact O-N 2.94Å; N74-F141 WeakPolarHBondContact ND2-CE2 3.47Å; N74-F141 WeakPolarHBondContact ND2-CZ 3.4Å; F141-G144 PolarHBondContact O-N 3.29Å
142	S	57.2	Low	85.5	Confident	75 Å²	75	27 Å²	27	52%	0.524	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	106.9	172.9	173.6	0	0	0	0	107.3	M140	M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.49Å
143	P	57.7	Low	85.5	Confident	56 Å²	56	29.6 Å²	29.6	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	cis	-99.8	20.1	28.1	35.8	-36	0	0	0	117.6	K145 R605	P143-K145 VanDerWaalsContact C-N 3.28Å; P143-K145 HydrophobicContact CG-CB 4.06Å; P143-R605 PolarHBondContact O-NH1 3.46Å
144	G	68.9	Low	85.3	Confident	45 Å²	45	29.5 Å²	29.5	46%	0.464	16%	0.164	S	C	.	.			trans	78.2	14	-175.9	0	0	0	0	0	113.5	M140 F141	M140-G144 CarbonylContact O-C 3.56Å; M140-G144 WeakPolarHBondContact O-CA 3.48Å; M140-G144 PolarHBondContact O-N 2.84Å; F141-G144 PolarHBondContact O-N 3.29Å
145	K	78.4	Confident	85.1	Confident	52 Å²	52	30.7 Å²	30.7	23%	0.226	17%	0.17	C	C	.	.			trans	-78.7	137.1	-177.7	-175	178.9	180	-178.3	0	109.2	E61 M140 P143 E329	E61-K145 IonicContact OE1-NZ 3.34Å; E61-K145 IonicContact OE2-NZ 3.46Å; E61-K145 PolarHBondContact OE2-NZ 3.02Å; M140-K145 PolarHBondContact N-O 3.22Å; P143-K145 VanDerWaalsContact C-N 3.28Å; P143-K145 HydrophobicContact CG-CB 4.06Å; K145-E329 VanDerWaalsContact CE-CD 3.45Å; K145-E329 WeakPolarHBondContact CE-OE1 3.28Å; K145-E329 VanDerWaalsContact CE-OE2 3.25Å; K145-E329 WeakPolarHBondContact CE-OE2 3.45Å; K145-E329 IonicContact NZ-OE1 3.64Å; K145-E329 PolarHBondContact NZ-OE1 3.18Å; K145-E329 IonicContact NZ-OE2 2.75Å
146	R	87.1	Confident	84.8	Confident	58 Å²	58	30.8 Å²	30.8	22%	0.219	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.3	167.3	-67.5	-169.4	-167.4	156.6	7.1	108.8	S138 N139 S351 C353	S138-R146 CarbonylContact O-C 3.59Å; S138-R146 WeakPolarHBondContact O-CA 3.42Å; N139-R146 WeakPolarHBondContact OD1-CG 3.42Å; R146-S351 WeakPolarHBondContact CB-O 3.4Å; R146-C353 PolarHBondContact O-SG 3.15Å
147	S	88.3	Confident	84.5	Confident	39 Å²	39	31.2 Å²	31.2	27%	0.273	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.2	174.8	49.5	0	0	0	0	110.6	T137 S138	T137-S147 CarbonylContact C-O 3.58Å; T137-S147 WeakPolarHBondContact CA-O 3.39Å; T137-S147 WeakPolarHBondContact CB-O 3.49Å; S138-S147 PolarHBondContact N-O 2.81Å; S138-S147 PolarHBondContact O-N 3.22Å; S138-S147 PolarHBondContact OG-O 2.83Å; S138-S147 PolarHBondContact OG-OG 2.82Å
148	L	91.6	Very high	84.1	Confident	26 Å²	26	33.2 Å²	33.2	14%	0.136	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.4	177.8	-175.8	65.9	0	0	0	109.7	V135 A185 E293 A347	V135-L148 HydrophobicContact CG1-CD1 3.51Å; L148-A185 HydrophobicContact CB-CB 4.41Å; L148-A185 HydrophobicContact CD2-CB 3.62Å; L148-A185 HydrophobicContact CG-CB 3.6Å; L148-E293 HydrophobicContact CD2-CB 3.93Å; L148-E293 HydrophobicContact CD2-CG 4.13Å; L148-A347 HydrophobicContact CD1-CB 4.01Å; L148-A347 HydrophobicContact CD2-CB 3.91Å
149	I	90.7	Very high	83.9	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-48	178.6	-81.9	173.2	0	0	0	110.7	H56 L75 I136 S138 A185 A193	H56-I149 HydrophobicContact CB-CD1 3.99Å; H56-I149 HydrophobicContact CB-CG1 4.35Å; H56-I149 VanDerWaalsContact CD2-CG2 3.44Å; H56-I149 WeakPolarHBondContact CD2-CG2 3.23Å; H56-I149 WeakPolarHBondContact CE1-CG2 3.2Å; H56-I149 WeakPolarHBondContact NE2-CG2 3.16Å; L75-I149 HydrophobicContact CD2-CD1 3.28Å; I136-I149 HydrophobicContact CB-CB 4.31Å; I136-I149 HydrophobicContact CB-CG2 3.99Å; I136-I149 HydrophobicContact CG2-CB 4.09Å; I136-I149 HydrophobicContact CG2-CD1 4.26Å; I136-I149 HydrophobicContact CG2-CG2 3.8Å; I136-I149 WeakPolarHBondContact O-CB 3.4Å; I136-I149 PolarHBondContact O-N 3.07Å; S138-I149 WeakPolarHBondContact OG-CD1 3.45Å; I149-A185 PolarHBondContact O-N 3Å; I149-A193 HydrophobicContact CG2-CB 4.19Å
150	S	93.3	Very high	83.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	147.5	-173.7	177.2	0	0	0	0	111	V135 I136 T152 L182 Q183	V135-S150 CarbonylContact C-O 3.53Å; V135-S150 VanDerWaalsContact CA-O 3.27Å; V135-S150 WeakPolarHBondContact CA-O 3.36Å; I136-S150 PolarHBondContact N-O 3.41Å; I136-S150 PolarHBondContact O-N 3.29Å; S150-T152 PolarHBondContact OG-OG1 3.37Å; S150-L182 WeakPolarHBondContact OG-CB 3.49Å; S150-Q183 WeakPolarHBondContact CA-O 3.31Å; S150-Q183 WeakPolarHBondContact CB-O 3.42Å; S150-Q183 PolarHBondContact OG-O 2.91Å
151	S	94.8	Very high	83.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	109.7	170.6	-177.3	0	0	0	0	108.8	Q133 E293 N294	Q133-S151 PolarHBondContact NE2-OG 3.3Å; S151-E293 VanDerWaalsContact CB-OE1 3.29Å; S151-E293 WeakPolarHBondContact CB-OE1 3.41Å; S151-E293 PolarHBondContact OG-OE1 2.83Å; S151-N294 VanDerWaalsContact O-CG 3.31Å; S151-N294 PolarHBondContact O-ND2 3.35Å; S151-N294 PolarHBondContact O-OD1 2.71Å
152	T	95.2	Very high	83.6	Confident	8 Å²	8	30.1 Å²	30.1	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136	-175.2	-58.2	0	0	0	0	110.9	Q133 I134 S150 I180 L182 Q183	Q133-T152 CarbonylContact C-O 3.55Å; Q133-T152 WeakPolarHBondContact CA-O 3.38Å; I134-T152 PolarHBondContact N-O 3.46Å; I134-T152 PolarHBondContact O-N 3.42Å; S150-T152 PolarHBondContact OG-OG1 3.37Å; T152-I180 HydrophobicContact CG2-CG2 4.04Å; T152-L182 WeakPolarHBondContact OG1-CA 3.26Å; T152-Q183 PolarHBondContact OG1-N 3.09Å
153	Y	94.9	Very high	83.9	Confident	54 Å²	54	28.4 Å²	28.4	21%	0.212	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137	174.7	-59.3	-99.2	0	0	0	109.3	V132 Q133 S344	V132-Y153 CarbonylContact O-C 3.54Å; V132-Y153 WeakPolarHBondContact O-CA 3.22Å; Q133-Y153 HydrophobicContact CB-CD1 3.8Å; Q133-Y153 HydrophobicContact CB-CE1 3.78Å; Q133-Y153 VanDerWaalsContact CD-CE1 3.42Å; Q133-Y153 VanDerWaalsContact CD-CZ 3.42Å; Q133-Y153 HydrophobicContact CG-CD1 3.81Å; Q133-Y153 HydrophobicContact CG-CE1 3.51Å; Q133-Y153 HydrophobicContact CG-CE2 4.25Å; Q133-Y153 HydrophobicContact CG-CG 4.32Å; Q133-Y153 PolarHBondContact NE2-OH 3.22Å; Y153-S344 VanDerWaalsContact OH-CB 3.24Å; Y153-S344 WeakPolarHBondContact OH-CB 3.37Å; Y153-S344 PolarHBondContact OH-OG 3.26Å
154	F	93.3	Very high	84.2	Confident	12 Å²	12	31.2 Å²	31.2	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.4	173.6	77.4	-87.9	0	0	0	112.9	V132 I134 W156 Y159 I180 L198 L200	V132-F154 HydrophobicContact CB-CD1 3.92Å; V132-F154 HydrophobicContact CB-CE1 3.45Å; V132-F154 VanDerWaalsContact CB-CE1 3.45Å; V132-F154 HydrophobicContact CB-CE2 4.28Å; V132-F154 HydrophobicContact CB-CZ 3.66Å; V132-F154 HydrophobicContact CG1-CD1 4.18Å; V132-F154 HydrophobicContact CG1-CE1 3.37Å; V132-F154 HydrophobicContact CG1-CZ 3.74Å; V132-F154 HydrophobicContact CG2-CE1 4.33Å; V132-F154 HydrophobicContact CG2-CE2 4.43Å; V132-F154 HydrophobicContact CG2-CZ 4.04Å; V132-F154 PolarHBondContact N-O 3.35Å; V132-F154 PolarHBondContact O-N 3.18Å; I134-F154 HydrophobicContact CD1-CD1 4.15Å; I134-F154 HydrophobicContact CD1-CE1 3.6Å; I134-F154 HydrophobicContact CG1-CD1 4.49Å; I134-F154 HydrophobicContact CG1-CE1 4.03Å; F154-W156 HydrophobicContact CD2-CB 4.49Å; F154-W156 HydrophobicContact CE2-CB 3.97Å; F154-Y159 HydrophobicContact CD2-CE2 4.12Å; F154-I180 HydrophobicContact CB-CD1 3.84Å; F154-I180 HydrophobicContact CD1-CD1 3.46Å; F154-I180 VanDerWaalsContact CD1-CD1 3.46Å; F154-I180 HydrophobicContact CD2-CD1 3.57Å; F154-I180 HydrophobicContact CE1-CD1 3.77Å; F154-I180 HydrophobicContact CE2-CD1 3.88Å; F154-I180 HydrophobicContact CG-CD1 3.34Å; F154-I180 HydrophobicContact CZ-CD1 3.97Å; F154-L198 HydrophobicContact CE1-CD1 4.33Å; F154-L198 HydrophobicContact CZ-CD1 4.16Å; F154-L200 HydrophobicContact CE2-CD1 4.23Å; F154-L200 HydrophobicContact CE2-CD2 4.4Å; F154-L200 HydrophobicContact CZ-CD2 4.42Å
155	D	91.4	Very high	84.4	Confident	26 Å²	26	36.3 Å²	36.3	14%	0.139	19%	0.19	C	C	.	.			trans	-90.7	121.8	172.5	-167	-12.7	0	0	0	109.5	F131 R157 P158 Y159	F131-D155 HydrophobicContact CD1-CB 3.89Å; F131-D155 HydrophobicContact CE1-CB 3.81Å; D155-R157 WeakPolarHBondContact OD1-CB 3.36Å; D155-R157 WeakPolarHBondContact OD1-CG 3.39Å; D155-R157 IonicContact OD1-CZ 3.28Å; D155-R157 PolarHBondContact OD1-N 2.75Å; D155-R157 IonicContact OD1-NE 3.93Å; D155-R157 PolarHBondContact OD1-NE 3.28Å; D155-R157 IonicContact OD1-NH2 3.74Å; D155-R157 IonicContact OD2-CZ 2.75Å; D155-R157 IonicContact OD2-NE 3.35Å; D155-R157 PolarHBondContact OD2-NE 2.76Å; D155-R157 IonicContact OD2-NH2 2.78Å; D155-R157 PolarHBondContact OD2-NH2 3.22Å; D155-P158 HydrophobicContact CB-CG 4.32Å; D155-P158 VanDerWaalsContact CG-CD 3.48Å; D155-Y159 WeakPolarHBondContact O-CD2 3.41Å; D155-Y159 WeakPolarHBondContact O-CE2 3.05Å
156	W	90.1	Very high	84.5	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.011	19%	0.188	C	C	.	.	S	Bend	trans	-83.1	-21.2	-179.9	61	-90.1	0	0	0	112.6	L43 Y81 L107 L123 F154 Y159 F160 L200	L43-W156 HydrophobicContact CD1-CB 4.47Å; L43-W156 HydrophobicContact CD1-CD2 4.32Å; L43-W156 HydrophobicContact CD1-CE3 4.18Å; L43-W156 HydrophobicContact CD1-CG 4.45Å; L43-W156 HydrophobicContact CD2-CB 4.09Å; L43-W156 HydrophobicContact CD2-CD2 3.88Å; L43-W156 HydrophobicContact CD2-CG 3.63Å; Y81-W156 AromaticContact CE2-NE1 3.46Å; Y81-W156 AromaticContact CZ-NE1 3.92Å; L107-W156 HydrophobicContact CD1-CH2 3.89Å; L107-W156 HydrophobicContact CD1-CZ2 4.2Å; L107-W156 HydrophobicContact CD1-CZ3 4.4Å; L107-W156 HydrophobicContact CD2-CH2 4.36Å; L107-W156 HydrophobicContact CD2-CZ2 3.82Å; L123-W156 HydrophobicContact CD2-CH2 3.69Å; L123-W156 HydrophobicContact CD2-CZ2 4.35Å; L123-W156 HydrophobicContact CG-CH2 3.98Å; L123-W156 HydrophobicContact CG-CZ2 4.33Å; F154-W156 HydrophobicContact CD2-CB 4.49Å; F154-W156 HydrophobicContact CE2-CB 3.97Å; W156-Y159 PolarHBondContact O-N 3.28Å; W156-F160 AromaticContact CE3-CD2 3.74Å; W156-F160 HydrophobicContact CE3-CD2 3.74Å; W156-F160 AromaticContact CE3-CE2 3.88Å; W156-F160 HydrophobicContact CE3-CE2 3.88Å; W156-F160 HydrophobicContact CZ3-CD2 4.11Å; W156-F160 HydrophobicContact CZ3-CE2 4.47Å; W156-L200 HydrophobicContact CB-CD1 4.43Å
157	R	88.2	Confident	84.2	Confident	8 Å²	8	38.1 Å²	38.1	3%	0.03	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-44.4	-173.1	-59.2	172	-65.4	157.6	7.1	113.4	L124 V129 D155 Y159 F160 M161 F248 E251	L124-R157 HydrophobicContact CD2-CB 4.03Å; L124-R157 HydrophobicContact CD2-CG 4.06Å; L124-R157 PolarHBondContact O-NH1 3.03Å; V129-R157 VanDerWaalsContact CG1-CZ 3.48Å; D155-R157 WeakPolarHBondContact OD1-CB 3.36Å; D155-R157 WeakPolarHBondContact OD1-CG 3.39Å; D155-R157 IonicContact OD1-CZ 3.28Å; D155-R157 PolarHBondContact OD1-N 2.75Å; D155-R157 IonicContact OD1-NE 3.93Å; D155-R157 PolarHBondContact OD1-NE 3.28Å; D155-R157 IonicContact OD1-NH2 3.74Å; D155-R157 IonicContact OD2-CZ 2.75Å; D155-R157 IonicContact OD2-NE 3.35Å; D155-R157 PolarHBondContact OD2-NE 2.76Å; D155-R157 IonicContact OD2-NH2 2.78Å; D155-R157 PolarHBondContact OD2-NH2 3.22Å; R157-Y159 PolarHBondContact O-N 2.95Å; R157-Y159 VanDerWaalsContact O-N 3.12Å; R157-F160 PolarHBondContact O-N 3.3Å; R157-F160 VanDerWaalsContact O-N 3.14Å; R157-M161 PolarHBondContact O-N 3.17Å; R157-M161 VanDerWaalsContact O-N 3.1Å; R157-F248 HydrophobicContact CB-CE1 4.06Å; R157-F248 HydrophobicContact CB-CZ 3.85Å; R157-E251 IonicContact CZ-OE2 3.59Å; R157-E251 IonicContact NH1-OE1 3.91Å; R157-E251 PolarHBondContact NH1-OE1 3.16Å; R157-E251 IonicContact NH1-OE2 2.64Å; R157-E251 PolarHBondContact NH1-OE2 3.14Å; R157-E251 VanDerWaalsContact NH1-OE2 3.17Å; R157-E251 IonicContact NH2-OE2 3.81Å; R157-E251 PolarHBondContact NH2-OE2 2.92Å
158	P	85.3	Confident	83.7	Confident	42 Å²	42	40 Å²	40	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-23.2	179.5	-21.7	31.6	0	0	0	114	D155 F160 F248	D155-P158 HydrophobicContact CB-CG 4.32Å; D155-P158 VanDerWaalsContact CG-CD 3.48Å; P158-F160 VanDerWaalsContact C-N 3.32Å; P158-F160 PolarHBondContact O-N 2.84Å; P158-F248 HydrophobicContact CB-CD2 4.29Å; P158-F248 HydrophobicContact CB-CE2 3.86Å; P158-F248 HydrophobicContact CB-CZ 4.08Å; P158-F248 HydrophobicContact CG-CD1 4.07Å; P158-F248 HydrophobicContact CG-CD2 4.13Å; P158-F248 HydrophobicContact CG-CE1 3.73Å; P158-F248 HydrophobicContact CG-CE2 3.77Å; P158-F248 HydrophobicContact CG-CG 4.28Å; P158-F248 HydrophobicContact CG-CZ 3.58Å
159	Y	86.3	Confident	82.9	Confident	64 Å²	64	42 Å²	42	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-76.5	-19.6	-179.5	-58.3	-66.6	0	0	0	113.3	F154 D155 W156 R157 N176 V178 L200	F154-Y159 HydrophobicContact CD2-CE2 4.12Å; D155-Y159 WeakPolarHBondContact O-CD2 3.41Å; D155-Y159 WeakPolarHBondContact O-CE2 3.05Å; W156-Y159 PolarHBondContact O-N 3.28Å; R157-Y159 PolarHBondContact O-N 2.95Å; R157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-N176 PolarHBondContact O-ND2 3.41Å; Y159-V178 HydrophobicContact CD1-CB 4.29Å; Y159-V178 HydrophobicContact CD1-CG1 3.9Å; Y159-V178 HydrophobicContact CD1-CG2 3.35Å; Y159-V178 HydrophobicContact CD2-CG1 4.44Å; Y159-V178 HydrophobicContact CD2-CG2 4.19Å; Y159-V178 HydrophobicContact CE1-CB 4.21Å; Y159-V178 HydrophobicContact CE1-CG1 3.35Å; Y159-V178 HydrophobicContact CE1-CG2 3.76Å; Y159-V178 HydrophobicContact CE2-CG1 3.96Å; Y159-V178 HydrophobicContact CG-CG1 4.41Å; Y159-V178 HydrophobicContact CG-CG2 3.6Å; Y159-L200 HydrophobicContact CD2-CD1 3.56Å; Y159-L200 HydrophobicContact CE2-CD1 4.31Å; Y159-L200 HydrophobicContact CG-CD1 3.98Å
160	F	82.6	Confident	82	Confident	18 Å²	18	44.5 Å²	44.5	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-102.3	-30.4	174.1	-62	-75.6	0	0	0	112.4	L43 W156 R157 P158 W174 L200 L202	L43-F160 HydrophobicContact CD1-CE2 3.8Å; L43-F160 HydrophobicContact CD1-CZ 4.15Å; W156-F160 AromaticContact CE3-CD2 3.74Å; W156-F160 HydrophobicContact CE3-CD2 3.74Å; W156-F160 AromaticContact CE3-CE2 3.88Å; W156-F160 HydrophobicContact CE3-CE2 3.88Å; W156-F160 HydrophobicContact CZ3-CD2 4.11Å; W156-F160 HydrophobicContact CZ3-CE2 4.47Å; R157-F160 PolarHBondContact O-N 3.3Å; R157-F160 VanDerWaalsContact O-N 3.14Å; P158-F160 VanDerWaalsContact C-N 3.32Å; P158-F160 PolarHBondContact O-N 2.84Å; F160-W174 HydrophobicContact CD1-CB 3.99Å; F160-W174 HydrophobicContact CE1-CB 4.3Å; F160-L200 HydrophobicContact CE1-CB 4.5Å; F160-L200 HydrophobicContact CE2-CB 4.03Å; F160-L200 HydrophobicContact CZ-CB 3.6Å; F160-L202 HydrophobicContact CD1-CB 3.93Å; F160-L202 HydrophobicContact CD2-CB 4.47Å; F160-L202 HydrophobicContact CE1-CB 3.66Å; F160-L202 HydrophobicContact CE2-CB 4.22Å; F160-L202 HydrophobicContact CG-CB 4.32Å; F160-L202 HydrophobicContact CG-CD2 4.44Å; F160-L202 HydrophobicContact CZ-CB 3.8Å
161	M	74.9	Confident	80.8	Confident	16 Å²	16	47.1 Å²	47.1	8%	0.079	25%	0.247	C	C	.	.	S	Bend	trans	-86.8	119.5	-179	-64.1	-177.9	72.4	0	0	112	L124 R157 N163 L239 I244 F248	L124-M161 HydrophobicContact CB-CE 4.39Å; L124-M161 HydrophobicContact CB-SD 4.01Å; L124-M161 HydrophobicContact CD1-CE 3.53Å; L124-M161 HydrophobicContact CD1-CG 3.86Å; L124-M161 HydrophobicContact CD1-SD 3.43Å; L124-M161 WeakPolarHBondContact CD1-SD 3.28Å; L124-M161 HydrophobicContact CD2-CE 4.42Å; L124-M161 HydrophobicContact CD2-CG 3.71Å; L124-M161 HydrophobicContact CD2-SD 3.18Å; L124-M161 WeakPolarHBondContact CD2-SD 3.44Å; L124-M161 HydrophobicContact CG-CE 4.28Å; L124-M161 HydrophobicContact CG-CG 4.35Å; L124-M161 HydrophobicContact CG-SD 3.64Å; R157-M161 PolarHBondContact O-N 3.17Å; R157-M161 VanDerWaalsContact O-N 3.1Å; M161-N163 PolarHBondContact O-N 2.91Å; M161-L239 HydrophobicContact CE-CD1 4.3Å; M161-I244 HydrophobicContact CB-CD1 3.93Å; M161-I244 HydrophobicContact CB-CG1 4.47Å; M161-I244 HydrophobicContact CB-CG2 3.79Å; M161-I244 HydrophobicContact CE-CD1 4.48Å; M161-I244 HydrophobicContact CE-CG1 4.12Å; M161-I244 HydrophobicContact CE-CG2 4.34Å; M161-F248 HydrophobicContact CB-CE2 4.44Å; M161-F248 HydrophobicContact SD-CE2 4.21Å; M161-F248 HydrophobicContact SD-CZ 3.81Å
162	G	64.5	Low	79.8	Confident	24 Å²	24	49.1 Å²	49.1	25%	0.247	26%	0.258	C	S	.	.	S	Bend	trans	70	4.9	165.3	0	0	0	0	0	114.9
163	N	65.1	Low	79.2	Confident	40 Å²	40	49.4 Å²	49.4	21%	0.214	26%	0.259	C	S	.	.			trans	-86.9	117.4	177.6	-168	-16.8	0	0	0	109.8	M161 K165 C166 N176	M161-N163 PolarHBondContact O-N 2.91Å; N163-K165 PolarHBondContact O-N 2.77Å; N163-K165 WeakPolarHBondContact OD1-CB 3.47Å; N163-K165 PolarHBondContact OD1-N 2.84Å; N163-C166 WeakPolarHBondContact O-CB 3.36Å; N163-C166 PolarHBondContact O-N 3.41Å; N163-C166 VanDerWaalsContact O-N 3.15Å; N163-N176 PolarHBondContact ND2-ND2 2.97Å
164	S	63.5	Low	78.8	Confident	115 Å²	115	48 Å²	48	80%	0.804	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.1	176.7	57.7	0	0	0	0	113.6
165	K	72.9	Confident	78.7	Confident	151 Å²	151	48.1 Å²	48.1	66%	0.657	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.4	177.2	-61.3	-176.2	179	-179.7	0	114	N163 K167	N163-K165 PolarHBondContact O-N 2.77Å; N163-K165 WeakPolarHBondContact OD1-CB 3.47Å; N163-K165 PolarHBondContact OD1-N 2.84Å; K165-K167 PolarHBondContact O-N 3.09Å
166	C	79.7	Confident	78.8	Confident	27 Å²	27	47.1 Å²	47.1	18%	0.182	25%	0.249	C	C	.	.			trans	-66.1	121.9	179.3	-173.5	0	0	0	0	110.2	N163	N163-C166 WeakPolarHBondContact O-CB 3.36Å; N163-C166 PolarHBondContact O-N 3.41Å; N163-C166 VanDerWaalsContact O-N 3.15Å
167	K	82.5	Confident	78.9	Confident	122 Å²	122	50.4 Å²	50.4	53%	0.53	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.5	-179.9	-62.5	169.1	-171.2	158.3	0	109.2	K165 V169 T175 D177	K165-K167 PolarHBondContact O-N 3.09Å; K167-V169 PolarHBondContact O-N 3.27Å; K167-T175 PolarHBondContact N-O 2.91Å; K167-T175 PolarHBondContact O-N 2.78Å; K167-T175 PolarHBondContact O-OG1 3.01Å; K167-D177 IonicContact NZ-OD2 3.23Å; K167-D177 PolarHBondContact NZ-OD2 3.39Å
168	E	77.2	Confident	79.2	Confident	79 Å²	79	50.5 Å²	50.5	37%	0.369	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.5	168.9	-171.9	179.2	152.7	0	0	109
169	V	74.2	Confident	79.6	Confident	67 Å²	67	51.6 Å²	51.6	41%	0.406	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-37.1	179.8	178.4	0	0	0	0	110.4	L2 K167 H173 T175	L2-V169 HydrophobicContact CD1-CG1 3.89Å; K167-V169 PolarHBondContact O-N 3.27Å; V169-H173 HydrophobicContact CB-CB 4.37Å; V169-H173 VanDerWaalsContact CB-ND1 3.29Å; V169-H173 WeakPolarHBondContact CB-ND1 3.44Å; V169-H173 VanDerWaalsContact CG1-ND1 3.35Å; V169-H173 WeakPolarHBondContact CG1-ND1 3.45Å; V169-H173 PolarHBondContact N-O 2.98Å; V169-T175 HydrophobicContact CG2-CG2 3.57Å; V169-T175 WeakPolarHBondContact CG2-OG1 3.24Å
170	N	72.7	Confident	80	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	177.1	167	62.7	59.3	0	0	0	109.7	N172 H173	N170-N172 PolarHBondContact O-N 2.95Å; N170-N172 PolarHBondContact OD1-N 2.78Å; N170-H173 VanDerWaalsContact CG-CB 3.5Å; N170-H173 PolarHBondContact N-O 2.94Å; N170-H173 WeakPolarHBondContact ND2-CB 3.2Å; N170-H173 PolarHBondContact O-N 3.04Å; N170-H173 VanDerWaalsContact O-O 3.08Å; N170-H173 WeakPolarHBondContact OD1-CB 3.28Å; N170-H173 PolarHBondContact OD1-N 2.81Å; N170-H173 VanDerWaalsContact OD1-N 3.12Å
171	L	66.9	Low	80.6	Confident	54 Å²	54	54 Å²	54	28%	0.283	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-25.4	-176.8	-55.6	168.1	0	0	0	114.8	W174 I209 F234	L171-W174 WeakPolarHBondContact O-CH2 3.22Å; L171-W174 VanDerWaalsContact O-CZ2 3.26Å; L171-W174 WeakPolarHBondContact O-CZ2 3.46Å; L171-I209 HydrophobicContact CB-CD1 4.38Å; L171-F234 HydrophobicContact CD2-CB 3.68Å; L171-F234 WeakPolarHBondContact CD2-O 3.43Å
172	N	74.8	Confident	81.5	Confident	43 Å²	43	53.3 Å²	53.3	23%	0.23	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	15.3	-173.8	-65.7	9.2	0	0	0	111.8	N170 I203 C204	N170-N172 PolarHBondContact O-N 2.95Å; N170-N172 PolarHBondContact OD1-N 2.78Å; N172-I203 WeakPolarHBondContact O-CA 3.45Å; N172-C204 VanDerWaalsContact CB-O 3.3Å; N172-C204 WeakPolarHBondContact CB-O 3.31Å; N172-C204 PolarHBondContact ND2-O 3.49Å; N172-C204 VanDerWaalsContact ND2-O 3.08Å; N172-C204 PolarHBondContact O-N 2.93Å
173	H	83.2	Confident	82.7	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.065	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	113	-172.5	-178.1	-148.2	0	0	0	111.6	V169 N170 T175 L202	V169-H173 HydrophobicContact CB-CB 4.37Å; V169-H173 VanDerWaalsContact CB-ND1 3.29Å; V169-H173 WeakPolarHBondContact CB-ND1 3.44Å; V169-H173 VanDerWaalsContact CG1-ND1 3.35Å; V169-H173 WeakPolarHBondContact CG1-ND1 3.45Å; V169-H173 PolarHBondContact N-O 2.98Å; N170-H173 VanDerWaalsContact CG-CB 3.5Å; N170-H173 PolarHBondContact N-O 2.94Å; N170-H173 WeakPolarHBondContact ND2-CB 3.2Å; N170-H173 PolarHBondContact O-N 3.04Å; N170-H173 VanDerWaalsContact O-O 3.08Å; N170-H173 WeakPolarHBondContact OD1-CB 3.28Å; N170-H173 PolarHBondContact OD1-N 2.81Å; N170-H173 VanDerWaalsContact OD1-N 3.12Å; H173-T175 WeakPolarHBondContact NE2-CG2 3.36Å; H173-L202 WeakPolarHBondContact CA-O 3.12Å
174	W	86	Confident	83.8	Confident	24 Å²	24	54.3 Å²	54.3	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.2	175.1	-60.5	-86.3	0	0	0	110.2	F160 L171 S201 L202 L236	F160-W174 HydrophobicContact CD1-CB 3.99Å; F160-W174 HydrophobicContact CE1-CB 4.3Å; L171-W174 WeakPolarHBondContact O-CH2 3.22Å; L171-W174 VanDerWaalsContact O-CZ2 3.26Å; L171-W174 WeakPolarHBondContact O-CZ2 3.46Å; W174-S201 CarbonylContact O-C 3.5Å; W174-S201 WeakPolarHBondContact O-CA 3.41Å; W174-L202 HydrophobicContact CE3-CB 4.45Å; W174-L202 HydrophobicContact CE3-CD2 4.34Å; W174-L202 HydrophobicContact CE3-CG 4.39Å; W174-L202 PolarHBondContact N-O 3.23Å; W174-L202 PolarHBondContact O-N 3.12Å; W174-L236 HydrophobicContact CD2-CD1 3.92Å; W174-L236 VanDerWaalsContact CE2-CD1 3.41Å; W174-L236 HydrophobicContact CE3-CD1 4.33Å; W174-L236 HydrophobicContact CH2-CD1 3.86Å; W174-L236 HydrophobicContact CZ2-CB 3.99Å; W174-L236 HydrophobicContact CZ2-CD1 3.4Å; W174-L236 VanDerWaalsContact CZ2-CD1 3.4Å; W174-L236 HydrophobicContact CZ2-CG 4.3Å; W174-L236 HydrophobicContact CZ3-CD1 4.3Å
175	T	91.1	Very high	85	Confident	15 Å²	15	49 Å²	49	9%	0.092	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.9	-178.9	59.2	0	0	0	0	111.1	K167 V169 H173 L200	K167-T175 PolarHBondContact N-O 2.91Å; K167-T175 PolarHBondContact O-N 2.78Å; K167-T175 PolarHBondContact O-OG1 3.01Å; V169-T175 HydrophobicContact CG2-CG2 3.57Å; V169-T175 WeakPolarHBondContact CG2-OG1 3.24Å; H173-T175 WeakPolarHBondContact NE2-CG2 3.36Å; T175-L200 CarbonylContact C-O 3.53Å; T175-L200 VanDerWaalsContact CA-O 3.25Å; T175-L200 WeakPolarHBondContact CA-O 3.32Å
176	N	92.4	Very high	85.4	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.5	172.3	-157.7	-9.7	0	0	0	110.8	Y159 N163 L200	Y159-N176 PolarHBondContact O-ND2 3.41Å; N163-N176 PolarHBondContact ND2-ND2 2.97Å; N176-L200 PolarHBondContact N-O 2.93Å; N176-L200 PolarHBondContact O-N 3.39Å
177	D	93.2	Very high	85.1	Confident	71 Å²	71	45.6 Å²	45.6	38%	0.38	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.2	175.9	-56.6	-55.8	0	0	0	108.2	K167 L198 R199	K167-D177 IonicContact NZ-OD2 3.23Å; K167-D177 PolarHBondContact NZ-OD2 3.39Å; D177-L198 CarbonylContact C-O 3.56Å; D177-L198 WeakPolarHBondContact CA-O 3.06Å; D177-R199 WeakPolarHBondContact OD1-CG 3.14Å; D177-R199 IonicContact OD1-CZ 2.58Å; D177-R199 IonicContact OD1-NE 3.77Å; D177-R199 PolarHBondContact OD1-NE 3.4Å; D177-R199 IonicContact OD1-NH2 2.68Å
178	V	93.3	Very high	84.9	Confident	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	-170.1	177.7	0	0	0	0	109.7	Y159 I180 L198 L200	Y159-V178 HydrophobicContact CD1-CB 4.29Å; Y159-V178 HydrophobicContact CD1-CG1 3.9Å; Y159-V178 HydrophobicContact CD1-CG2 3.35Å; Y159-V178 HydrophobicContact CD2-CG1 4.44Å; Y159-V178 HydrophobicContact CD2-CG2 4.19Å; Y159-V178 HydrophobicContact CE1-CB 4.21Å; Y159-V178 HydrophobicContact CE1-CG1 3.35Å; Y159-V178 HydrophobicContact CE1-CG2 3.76Å; Y159-V178 HydrophobicContact CE2-CG1 3.96Å; Y159-V178 HydrophobicContact CG-CG1 4.41Å; Y159-V178 HydrophobicContact CG-CG2 3.6Å; V178-I180 HydrophobicContact CG1-CD1 4.44Å; V178-I180 HydrophobicContact CG1-CG1 3.88Å; V178-L198 PolarHBondContact N-O 3.25Å; V178-L198 PolarHBondContact O-N 2.85Å; V178-L200 HydrophobicContact CG2-CD1 4Å; V178-L200 HydrophobicContact CG2-CG 4.3Å
179	S	95	Very high	84.9	Confident	65 Å²	65	40.3 Å²	40.3	46%	0.455	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.2	170.7	-57.1	0	0	0	0	109.5	R51 L196 D197	R51-S179 PolarHBondContact NH2-OG 3.43Å; S179-L196 CarbonylContact C-O 3.58Å; S179-L196 VanDerWaalsContact CA-O 3.29Å; S179-L196 WeakPolarHBondContact CA-O 3.41Å; S179-D197 WeakPolarHBondContact CB-OD1 3.36Å; S179-D197 PolarHBondContact OG-OD1 3.47Å
180	I	94.6	Very high	85.1	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.062	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.4	-178.6	-56.2	-170.7	0	0	0	109.2	T152 F154 V178 I195 L196 L198	T152-I180 HydrophobicContact CG2-CG2 4.04Å; F154-I180 HydrophobicContact CB-CD1 3.84Å; F154-I180 HydrophobicContact CD1-CD1 3.46Å; F154-I180 VanDerWaalsContact CD1-CD1 3.46Å; F154-I180 HydrophobicContact CD2-CD1 3.57Å; F154-I180 HydrophobicContact CE1-CD1 3.77Å; F154-I180 HydrophobicContact CE2-CD1 3.88Å; F154-I180 HydrophobicContact CG-CD1 3.34Å; F154-I180 HydrophobicContact CZ-CD1 3.97Å; V178-I180 HydrophobicContact CG1-CD1 4.44Å; V178-I180 HydrophobicContact CG1-CG1 3.88Å; I180-I195 CarbonylContact O-C 3.58Å; I180-I195 WeakPolarHBondContact O-CA 3.46Å; I180-L196 PolarHBondContact N-O 2.94Å; I180-L196 PolarHBondContact O-N 3.24Å; I180-L198 HydrophobicContact CD1-CD1 3.5Å; I180-L198 HydrophobicContact CG1-CD1 4.08Å
181	E	94.4	Very high	85.6	Confident	122 Å²	122	45.9 Å²	45.9	57%	0.57	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.9	173.4	-173.6	177.5	178.2	0	0	110.4	P192	E181-P192 HydrophobicContact CG-CB 3.53Å; E181-P192 HydrophobicContact CG-CG 4.17Å; E181-P192 VanDerWaalsContact OE1-CB 3.26Å; E181-P192 WeakPolarHBondContact OE1-CB 3.44Å; E181-P192 VanDerWaalsContact OE1-CG 3.22Å; E181-P192 WeakPolarHBondContact OE1-CG 3.43Å
182	L	93.2	Very high	86.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123	-177.6	-65.9	177.5	0	0	0	110.9	F53 I134 I136 S150 T152 P192 A193 G194 L196	F53-L182 HydrophobicContact CE1-CD1 4.04Å; F53-L182 HydrophobicContact CZ-CD1 3.66Å; I134-L182 HydrophobicContact CG2-CD2 4.46Å; I136-L182 HydrophobicContact CD1-CD1 3.35Å; I136-L182 HydrophobicContact CG1-CD1 4.32Å; S150-L182 WeakPolarHBondContact OG-CB 3.49Å; T152-L182 WeakPolarHBondContact OG1-CA 3.26Å; L182-P192 CarbonylContact O-C 3.44Å; L182-P192 VanDerWaalsContact O-CA 3.31Å; L182-P192 WeakPolarHBondContact O-CA 3.34Å; L182-P192 WeakPolarHBondContact O-CB 3.36Å; L182-A193 HydrophobicContact CB-CB 3.94Å; L182-A193 PolarHBondContact O-N 3.48Å; L182-G194 VanDerWaalsContact CB-O 3.28Å; L182-G194 WeakPolarHBondContact CB-O 3.32Å; L182-G194 PolarHBondContact N-O 3.45Å; L182-L196 HydrophobicContact CD1-CD1 4.23Å; L182-L196 HydrophobicContact CD1-CD2 4.41Å; L182-L196 HydrophobicContact CD1-CG 3.87Å; L182-L196 HydrophobicContact CD2-CD1 3.83Å; L182-L196 HydrophobicContact CD2-CG 4.1Å; L182-L196 HydrophobicContact CG-CD1 4.38Å; L182-L196 HydrophobicContact CG-CG 4.12Å
183	Q	91.1	Very high	87.3	Confident	69 Å²	69	43.1 Å²	43.1	32%	0.322	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-73.3	129.2	175.5	-68	178.4	-1.9	0	0	110.1	S150 T152	S150-Q183 WeakPolarHBondContact CA-O 3.31Å; S150-Q183 WeakPolarHBondContact CB-O 3.42Å; S150-Q183 PolarHBondContact OG-O 2.91Å; T152-Q183 PolarHBondContact OG1-N 3.09Å
184	S	88.5	Confident	87.7	Confident	16 Å²	16	42.5 Å²	42.5	11%	0.112	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-64.3	135	173	176.2	0	0	0	0	109.9	D186 V191	S184-D186 PolarHBondContact OG-N 3.1Å; S184-D186 VanDerWaalsContact OG-N 3.12Å; S184-D186 PolarHBondContact OG-O 3.32Å; S184-V191 WeakPolarHBondContact CB-O 3.4Å
185	A	87.3	Confident	88.1	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.033	25%	0.245	C	C	.	.	S	Bend	trans	-81.7	-5.8	171.9	0	0	0	0	0	113.1	L148 I149 P187 E293	L148-A185 HydrophobicContact CB-CB 4.41Å; L148-A185 HydrophobicContact CD2-CB 3.62Å; L148-A185 HydrophobicContact CG-CB 3.6Å; I149-A185 PolarHBondContact O-N 3Å; A185-P187 WeakPolarHBondContact O-CD 3.32Å; A185-E293 WeakPolarHBondContact CA-O 3.44Å
186	D	81.7	Confident	88.3	Confident	64 Å²	64	43 Å²	43	34%	0.342	24%	0.24	S	C	.	.			trans	-85.4	113.3	172.6	-179.3	-2.8	0	0	0	109.5	S184 D188 C189	S184-D186 PolarHBondContact OG-N 3.1Å; S184-D186 VanDerWaalsContact OG-N 3.12Å; S184-D186 PolarHBondContact OG-O 3.32Å; D186-D188 PolarHBondContact O-N 2.86Å; D186-D188 PolarHBondContact OD1-N 2.59Å; D186-C189 HydrophobicContact CB-CB 3.91Å; D186-C189 PolarHBondContact O-N 2.74Å; D186-C189 VanDerWaalsContact O-N 3.12Å
187	P	74.6	Confident	88.5	Confident	42 Å²	42	43.7 Å²	43.7	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.2	-179.9	33.6	-39.5	0	0	0	113.9	A185 F331 K339	A185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-F331 HydrophobicContact CG-CD1 4.35Å; P187-F331 HydrophobicContact CG-CE1 3.43Å; P187-F331 VanDerWaalsContact CG-CE1 3.43Å; P187-F331 HydrophobicContact CG-CZ 3.8Å; P187-K339 HydrophobicContact CG-CD 3.93Å
188	D	77.4	Confident	88.7	Confident	60 Å²	60	40.4 Å²	40.4	32%	0.321	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-9.2	174.6	-55.1	-45.7	0	0	0	111.9	D186 G333 V334 K339	D186-D188 PolarHBondContact O-N 2.86Å; D186-D188 PolarHBondContact OD1-N 2.59Å; D188-G333 WeakPolarHBondContact OD2-CA 3.35Å; D188-V334 HydrophobicContact CB-CB 4.15Å; D188-V334 HydrophobicContact CB-CG2 3.56Å; D188-V334 PolarHBondContact OD2-N 3.41Å; D188-K339 IonicContact OD1-NZ 2.83Å; D188-K339 PolarHBondContact OD1-NZ 3.42Å
189	C	77.4	Confident	88.8	Confident	31 Å²	31	44 Å²	44	21%	0.209	24%	0.239	C	C	.	.			trans	-103.7	104.4	174.9	-172.9	0	0	0	0	111	D186 V191	D186-C189 HydrophobicContact CB-CB 3.91Å; D186-C189 PolarHBondContact O-N 2.74Å; D186-C189 VanDerWaalsContact O-N 3.12Å; C189-V191 PolarHBondContact O-N 2.84Å
190	N	77.5	Confident	88.8	Confident	163 Å²	163	41 Å²	41	87%	0.872	22%	0.217	S	C	*	.			trans	-80.1	0.8	175.5	-73.1	-24.3	0	0	0	114
191	V	85	Confident	88.7	Confident	79 Å²	79	41 Å²	41	48%	0.479	22%	0.218	S	C	.	.	S	Bend	trans	-92.6	139.9	-179	-176.2	0	0	0	0	108.7	S184 C189	S184-V191 WeakPolarHBondContact CB-O 3.4Å; C189-V191 PolarHBondContact O-N 2.84Å
192	P	88.4	Confident	88.4	Confident	40 Å²	40	35.2 Å²	35.2	26%	0.26	19%	0.191	S	C	.	.			trans	-57.5	146.5	172.8	26.2	-37.7	0	0	0	111.6	E181 L182 G194	E181-P192 HydrophobicContact CG-CB 3.53Å; E181-P192 HydrophobicContact CG-CG 4.17Å; E181-P192 VanDerWaalsContact OE1-CB 3.26Å; E181-P192 WeakPolarHBondContact OE1-CB 3.44Å; E181-P192 VanDerWaalsContact OE1-CG 3.22Å; E181-P192 WeakPolarHBondContact OE1-CG 3.43Å; L182-P192 CarbonylContact O-C 3.44Å; L182-P192 VanDerWaalsContact O-CA 3.31Å; L182-P192 WeakPolarHBondContact O-CA 3.34Å; L182-P192 WeakPolarHBondContact O-CB 3.36Å; P192-G194 PolarHBondContact O-N 2.88Å
193	A	88.8	Confident	88.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-63.8	-29.7	177	0	0	0	0	0	112.7	F53 S55 H56 I149 L182	F53-A193 WeakPolarHBondContact CA-O 3.27Å; S55-A193 WeakPolarHBondContact OG-CA 3.47Å; H56-A193 WeakPolarHBondContact NE2-CB 3.42Å; I149-A193 HydrophobicContact CG2-CB 4.19Å; L182-A193 HydrophobicContact CB-CB 3.94Å; L182-A193 PolarHBondContact O-N 3.48Å
194	G	91.4	Very high	87.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161	-173.3	-178.8	0	0	0	0	0	111	A52 L182 P192	A52-G194 WeakPolarHBondContact O-CA 3.24Å; L182-G194 VanDerWaalsContact CB-O 3.28Å; L182-G194 WeakPolarHBondContact CB-O 3.32Å; L182-G194 PolarHBondContact N-O 3.45Å; P192-G194 PolarHBondContact O-N 2.88Å
195	I	94.2	Very high	86.5	Confident	50 Å²	50	37.8 Å²	37.8	26%	0.256	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.4	177	-59.9	171.2	0	0	0	108.3	G50 R51 I180	G50-I195 CarbonylContact C-O 3.48Å; G50-I195 VanDerWaalsContact CA-O 3.28Å; G50-I195 WeakPolarHBondContact CA-O 3.33Å; R51-I195 HydrophobicContact CB-CB 4.39Å; R51-I195 PolarHBondContact N-O 2.97Å; R51-I195 PolarHBondContact O-N 3.32Å; I180-I195 CarbonylContact O-C 3.58Å; I180-I195 WeakPolarHBondContact O-CA 3.46Å
196	L	95.6	Very high	85	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.4	171.2	-69.1	179.2	0	0	0	110.9	V47 F53 L77 I99 I134 I136 S179 I180 L182 L198	V47-L196 HydrophobicContact CG1-CD2 4.43Å; F53-L196 HydrophobicContact CE2-CD2 4.24Å; F53-L196 HydrophobicContact CZ-CD2 3.96Å; L77-L196 HydrophobicContact CD1-CD1 3.69Å; I99-L196 HydrophobicContact CD1-CD2 4.01Å; I134-L196 HydrophobicContact CD1-CD1 4.23Å; I134-L196 HydrophobicContact CG2-CD1 3.92Å; I136-L196 HydrophobicContact CD1-CD1 4.4Å; S179-L196 CarbonylContact C-O 3.58Å; S179-L196 VanDerWaalsContact CA-O 3.29Å; S179-L196 WeakPolarHBondContact CA-O 3.41Å; I180-L196 PolarHBondContact N-O 2.94Å; I180-L196 PolarHBondContact O-N 3.24Å; L182-L196 HydrophobicContact CD1-CD1 4.23Å; L182-L196 HydrophobicContact CD1-CD2 4.41Å; L182-L196 HydrophobicContact CD1-CG 3.87Å; L182-L196 HydrophobicContact CD2-CD1 3.83Å; L182-L196 HydrophobicContact CD2-CG 4.1Å; L182-L196 HydrophobicContact CG-CD1 4.38Å; L182-L196 HydrophobicContact CG-CG 4.12Å; L196-L198 HydrophobicContact CB-CD2 4.1Å; L196-L198 HydrophobicContact CB-CG 4.42Å
197	D	96.5	Very high	83.7	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.102	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.1	167.8	-63.9	-34	0	0	0	109.3	L48 Q49 R51 S179	L48-D197 WeakPolarHBondContact CB-O 3.4Å; L48-D197 PolarHBondContact N-O 2.92Å; Q49-D197 HydrophobicContact CG-CB 3.97Å; Q49-D197 PolarHBondContact NE2-OD2 2.99Å; Q49-D197 PolarHBondContact O-N 3.38Å; R51-D197 IonicContact CZ-OD1 3.95Å; R51-D197 IonicContact CZ-OD2 3.87Å; R51-D197 IonicContact NE-OD1 3.99Å; R51-D197 PolarHBondContact NE-OD1 3.27Å; R51-D197 IonicContact NE-OD2 3.58Å; R51-D197 PolarHBondContact NE-OD2 3.37Å; R51-D197 IonicContact NH2-OD1 3.44Å; R51-D197 PolarHBondContact NH2-OD1 3.12Å; R51-D197 IonicContact NH2-OD2 3.63Å; S179-D197 WeakPolarHBondContact CB-OD1 3.36Å; S179-D197 PolarHBondContact OG-OD1 3.47Å
198	L	96.4	Very high	82.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.7	-177.3	-53.9	-174.8	0	0	0	110.4	V45 E46 V47 I134 F154 D177 V178 I180 L196 L200	V45-L198 HydrophobicContact CG1-CD1 4.24Å; E46-L198 CarbonylContact O-C 3.41Å; E46-L198 VanDerWaalsContact O-CA 3.27Å; E46-L198 WeakPolarHBondContact O-CA 3.32Å; V47-L198 HydrophobicContact CB-CD2 4Å; V47-L198 HydrophobicContact CG1-CD2 3.88Å; V47-L198 HydrophobicContact CG2-CD2 3.76Å; I134-L198 HydrophobicContact CD1-CD1 4.06Å; F154-L198 HydrophobicContact CE1-CD1 4.33Å; F154-L198 HydrophobicContact CZ-CD1 4.16Å; D177-L198 CarbonylContact C-O 3.56Å; D177-L198 WeakPolarHBondContact CA-O 3.06Å; V178-L198 PolarHBondContact N-O 3.25Å; V178-L198 PolarHBondContact O-N 2.85Å; I180-L198 HydrophobicContact CD1-CD1 3.5Å; I180-L198 HydrophobicContact CG1-CD1 4.08Å; L196-L198 HydrophobicContact CB-CD2 4.1Å; L196-L198 HydrophobicContact CB-CG 4.42Å; L198-L200 HydrophobicContact CB-CD2 4.34Å; L198-L200 HydrophobicContact CD1-CD2 4.48Å
199	R	95.4	Very high	80.6	Confident	87 Å²	87	43.7 Å²	43.7	33%	0.328	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.5	161.7	-178.1	178.5	-56.4	132.6	1.2	109.3	E46 L48 D177	E46-R199 HydrophobicContact CB-CB 4.14Å; E46-R199 WeakPolarHBondContact CB-O 3.34Å; E46-R199 PolarHBondContact N-O 3.36Å; E46-R199 PolarHBondContact O-N 3.34Å; E46-R199 IonicContact OE1-NH1 2.94Å; E46-R199 WeakPolarHBondContact OE2-CD 3.13Å; E46-R199 IonicContact OE2-CZ 3.81Å; E46-R199 IonicContact OE2-NE 3.42Å; E46-R199 IonicContact OE2-NH1 3.78Å; E46-R199 PolarHBondContact OE2-NH1 2.98Å; L48-R199 HydrophobicContact CD1-CB 4.21Å; D177-R199 WeakPolarHBondContact OD1-CG 3.14Å; D177-R199 IonicContact OD1-CZ 2.58Å; D177-R199 IonicContact OD1-NE 3.77Å; D177-R199 PolarHBondContact OD1-NE 3.4Å; D177-R199 IonicContact OD1-NH2 2.68Å
200	L	95	Very high	78.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.5	176.5	-53.9	-177.5	0	0	0	108.7	V44 V45 F154 W156 Y159 F160 T175 N176 V178 L198	V44-L200 CarbonylContact O-C 3.47Å; V44-L200 WeakPolarHBondContact O-CA 3.37Å; V45-L200 HydrophobicContact CB-CD2 4.27Å; V45-L200 HydrophobicContact CG1-CD2 3.94Å; V45-L200 HydrophobicContact CG2-CD2 3.93Å; F154-L200 HydrophobicContact CE2-CD1 4.23Å; F154-L200 HydrophobicContact CE2-CD2 4.4Å; F154-L200 HydrophobicContact CZ-CD2 4.42Å; W156-L200 HydrophobicContact CB-CD1 4.43Å; Y159-L200 HydrophobicContact CD2-CD1 3.56Å; Y159-L200 HydrophobicContact CE2-CD1 4.31Å; Y159-L200 HydrophobicContact CG-CD1 3.98Å; F160-L200 HydrophobicContact CE1-CB 4.5Å; F160-L200 HydrophobicContact CE2-CB 4.03Å; F160-L200 HydrophobicContact CZ-CB 3.6Å; T175-L200 CarbonylContact C-O 3.53Å; T175-L200 VanDerWaalsContact CA-O 3.25Å; T175-L200 WeakPolarHBondContact CA-O 3.32Å; N176-L200 PolarHBondContact N-O 2.93Å; N176-L200 PolarHBondContact O-N 3.39Å; V178-L200 HydrophobicContact CG2-CD1 4Å; V178-L200 HydrophobicContact CG2-CG 4.3Å; L198-L200 HydrophobicContact CB-CD2 4.34Å; L198-L200 HydrophobicContact CD1-CD2 4.48Å
201	S	92.5	Very high	76.7	Confident	12 Å²	12	43.1 Å²	43.1	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	172.8	-43.1	0	0	0	0	111.1	V44 W174	V44-S201 PolarHBondContact N-O 3.37Å; V44-S201 PolarHBondContact O-N 3.01Å; W174-S201 CarbonylContact O-C 3.5Å; W174-S201 WeakPolarHBondContact O-CA 3.41Å
202	L	88.6	Confident	74.5	Confident	2 Å²	2	47 Å²	47	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.4	174.7	-179.4	65.1	0	0	0	108.7	L107 L120 F160 H173 W174	L107-L202 HydrophobicContact CD1-CD1 3.43Å; L107-L202 VanDerWaalsContact CD1-CD1 3.43Å; L120-L202 HydrophobicContact CD1-CD2 3.9Å; F160-L202 HydrophobicContact CD1-CB 3.93Å; F160-L202 HydrophobicContact CD2-CB 4.47Å; F160-L202 HydrophobicContact CE1-CB 3.66Å; F160-L202 HydrophobicContact CE2-CB 4.22Å; F160-L202 HydrophobicContact CG-CB 4.32Å; F160-L202 HydrophobicContact CG-CD2 4.44Å; F160-L202 HydrophobicContact CZ-CB 3.8Å; H173-L202 WeakPolarHBondContact CA-O 3.12Å; W174-L202 HydrophobicContact CE3-CB 4.45Å; W174-L202 HydrophobicContact CE3-CD2 4.34Å; W174-L202 HydrophobicContact CE3-CG 4.39Å; W174-L202 PolarHBondContact N-O 3.23Å; W174-L202 PolarHBondContact O-N 3.12Å
203	I	86	Confident	72.7	Confident	60 Å²	60	48.2 Å²	48.2	31%	0.308	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.8	-175.7	-54.6	176.5	0	0	0	109.9	A41 V42 V44 N172 P205	A41-I203 CarbonylContact C-O 3.5Å; A41-I203 WeakPolarHBondContact CA-O 3.29Å; V42-I203 PolarHBondContact N-O 3.36Å; V42-I203 PolarHBondContact O-N 2.87Å; V44-I203 HydrophobicContact CG2-CD1 3.86Å; V44-I203 HydrophobicContact CG2-CG1 4.45Å; N172-I203 WeakPolarHBondContact O-CA 3.45Å; I203-P205 HydrophobicContact CG2-CG 4.4Å
204	C	78.9	Confident	70.3	Confident	14 Å²	14	48.8 Å²	48.8	10%	0.095	26%	0.261	C	S	.	.			trans	-120.9	90.5	178.9	-66.8	0	0	0	0	111.6	T40 N172 V207	T40-C204 WeakPolarHBondContact O-CA 3.37Å; N172-C204 VanDerWaalsContact CB-O 3.3Å; N172-C204 WeakPolarHBondContact CB-O 3.31Å; N172-C204 PolarHBondContact ND2-O 3.49Å; N172-C204 VanDerWaalsContact ND2-O 3.08Å; N172-C204 PolarHBondContact O-N 2.93Å; C204-V207 HydrophobicContact CB-CG2 4.24Å
205	P	67.4	Low	67.8	Low	64 Å²	64	54.7 Å²	54.7	42%	0.416	29%	0.293	S	S	.	.	S	Bend	trans	-68.2	-38.5	-170.9	-20.7	32.3	0	0	0	115	I203	I203-P205 HydrophobicContact CG2-CG 4.4Å
206	N	57.3	Low	65.2	Low	83 Å²	83	57 Å²	57	44%	0.444	31%	0.311	S	S	.	.	S	Bend	trans	-109.7	7.9	-161.8	-79.4	-5.5	0	0	0	116.1	T37 S208	T37-N206 PolarHBondContact O-ND2 3.35Å; N206-S208 PolarHBondContact O-N 2.75Å; N206-S208 VanDerWaalsContact O-N 3.09Å
207	V	53.2	Low	62.6	Low	55 Å²	55	60.6 Å²	60.6	33%	0.333	33%	0.332	S	S	.	.			trans	-77	106.2	-179.7	-174.7	0	0	0	0	109.2	C204 I209	C204-V207 HydrophobicContact CB-CG2 4.24Å; V207-I209 VanDerWaalsContact C-N 3.3Å; V207-I209 PolarHBondContact O-N 2.95Å
208	S	44.8	Very low	59.8	Low	115 Å²	115	68.9 Å²	68.9	80%	0.804	37%	0.368	S	S	*	.			trans	-59.4	101.1	151.2	-62.4	0	0	0	0	105.5	N206 N210	N206-S208 PolarHBondContact O-N 2.75Å; N206-S208 VanDerWaalsContact O-N 3.09Å; S208-N210 PolarHBondContact O-N 3.29Å
209	I	41.6	Very low	56.9	Low	42 Å²	42	75.2 Å²	75.2	22%	0.215	40%	0.397	C	S	.	.			trans	-58.1	98.6	-173.2	-63	167.2	0	0	0	108.3	L171 V207 T211 F234	L171-I209 HydrophobicContact CB-CD1 4.38Å; V207-I209 VanDerWaalsContact C-N 3.3Å; V207-I209 PolarHBondContact O-N 2.95Å; I209-T211 PolarHBondContact O-N 3Å; I209-F234 HydrophobicContact CB-CD2 4.24Å; I209-F234 HydrophobicContact CB-CE2 4.26Å; I209-F234 HydrophobicContact CD1-CB 4.24Å; I209-F234 HydrophobicContact CD1-CD2 3.54Å; I209-F234 HydrophobicContact CD1-CE2 4.24Å; I209-F234 HydrophobicContact CD1-CG 4.22Å; I209-F234 HydrophobicContact CG1-CD2 4.49Å; I209-F234 HydrophobicContact CG2-CD1 4.45Å; I209-F234 HydrophobicContact CG2-CD2 3.95Å; I209-F234 HydrophobicContact CG2-CE2 4.13Å; I209-F234 HydrophobicContact CG2-CG 4.11Å; I209-F234 HydrophobicContact CG2-CZ 4.43Å
210	N	36.2	Very low	54	Low	85 Å²	85	78.5 Å²	78.5	46%	0.455	42%	0.42	S	S	.	.			trans	-63.1	120.3	165.2	-156.8	-17.3	0	0	0	105.2	D117 S208 K212	D117-N210 PolarHBondContact OD2-ND2 3.41Å; S208-N210 PolarHBondContact O-N 3.29Å; N210-K212 PolarHBondContact O-N 2.9Å
211	T	37.4	Very low	51.3	Low	97 Å²	97	88 Å²	88	60%	0.595	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	12.7	-164.7	46.8	0	0	0	0	115.4	I209 W213 F234	I209-T211 PolarHBondContact O-N 3Å; T211-W213 VanDerWaalsContact C-N 3.31Å; T211-F234 HydrophobicContact CG2-CE1 4.32Å; T211-F234 HydrophobicContact CG2-CZ 4.2Å
212	K	39.2	Very low	48.6	Very low	159 Å²	159	94.7 Å²	94.7	69%	0.691	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.4	172.8	-73.7	-173	177.6	179.4	0	114.3	N210 K237	N210-K212 PolarHBondContact O-N 2.9Å; K212-K237 WeakPolarHBondContact O-CD 3.38Å; K212-K237 WeakPolarHBondContact O-CE 3.44Å; K212-K237 PolarHBondContact O-NZ 3.35Å
213	W	50.4	Low	46.1	Very low	67 Å²	67	99.5 Å²	99.5	25%	0.254	53%	0.53	S	S	.	.	S	Bend	trans	-96.5	-10.5	-171.5	-75.7	65.1	0	0	0	115.3	L120 T211 K237	L120-W213 HydrophobicContact CB-CH2 3.04Å; L120-W213 HydrophobicContact CB-CZ2 3.93Å; L120-W213 HydrophobicContact CB-CZ3 3.44Å; L120-W213 VanDerWaalsContact CB-CZ3 3.44Å; L120-W213 HydrophobicContact CD2-CH2 4.39Å; L120-W213 HydrophobicContact CD2-CZ3 3.9Å; L120-W213 HydrophobicContact CG-CH2 4.28Å; L120-W213 HydrophobicContact CG-CZ3 4.29Å; L120-W213 VanDerWaalsContact N-CZ2 3.27Å; T211-W213 VanDerWaalsContact C-N 3.31Å; W213-K237 WeakPolarHBondContact O-CB 3.18Å; W213-K237 WeakPolarHBondContact O-CG 3.44Å; W213-K237 PolarHBondContact O-N 3.42Å
214	C	38	Very low	43.9	Very low	12 Å²	12	104 Å²	104	8%	0.081	55%	0.554	C	S	.	*			trans	-149	129.5	-158.8	-54.8	0	0	0	0	111.1	F234 K235	C214-F234 HydrophobicContact CB-CB 3.66Å; C214-F234 HydrophobicContact CB-CD1 3.23Å; C214-F234 HydrophobicContact CB-CE1 4.21Å; C214-F234 HydrophobicContact CB-CG 3.8Å; C214-F234 VanDerWaalsContact SG-C 3.56Å; C214-F234 WeakPolarHBondContact SG-CB 3.38Å; C214-K235 VanDerWaalsContact CA-O 3.27Å; C214-K235 WeakPolarHBondContact CA-O 3.4Å; C214-K235 PolarHBondContact SG-O 2.85Å; C214-K235 VanDerWaalsContact SG-O 3.37Å
215	D	40.2	Very low	42.1	Very low	125 Å²	125	108.2 Å²	108.2	67%	0.668	58%	0.582	S	S	*	*			trans	-70.3	131.1	163.4	-71.4	-31.6	0	0	0	108.1	V217	D215-V217 PolarHBondContact O-N 2.77Å; D215-V217 VanDerWaalsContact O-N 3.08Å
216	P	38.3	Very low	40.7	Very low	99 Å²	99	110.7 Å²	110.7	64%	0.643	60%	0.6	S	S	*	*	B	Isolated β-bridge	trans	-58.9	119.3	170.2	23.1	-30	0	0	0	107.9	K218	P216-K218 PolarHBondContact O-N 3.17Å
217	V	41.6	Very low	39.7	Very low	74 Å²	74	110.6 Å²	110.6	45%	0.448	62%	0.619	S	S	.	*			trans	-61.9	108.4	165.2	-179.6	0	0	0	0	105.7	D215 Q219	D215-V217 PolarHBondContact O-N 2.77Å; D215-V217 VanDerWaalsContact O-N 3.08Å; V217-Q219 VanDerWaalsContact C-N 3.29Å; V217-Q219 PolarHBondContact O-N 3.33Å
218	K	38.4	Very low	38.8	Very low	194 Å²	194	113.9 Å²	113.9	84%	0.843	64%	0.639	S	S	*	*			trans	-62.2	95.3	169.8	-69.4	-178.4	179.3	179.5	0	107	P216 I220	P216-K218 PolarHBondContact O-N 3.17Å; K218-I220 PolarHBondContact O-N 3.46Å
219	Q	35.4	Very low	38.3	Very low	133 Å²	133	115.1 Å²	115.1	62%	0.621	64%	0.635	S	S	*	*			trans	-63.6	119.5	166.4	-77.7	-175.5	-4.7	0	0	107	V217 F221	V217-Q219 VanDerWaalsContact C-N 3.29Å; V217-Q219 PolarHBondContact O-N 3.33Å; Q219-F221 PolarHBondContact O-N 2.8Å
220	I	33.1	Very low	37.8	Very low	157 Å²	157	119.6 Å²	119.6	81%	0.805	66%	0.66	S	S	*	*			trans	-61.4	118.6	171.2	-62.7	167.8	0	0	0	105.5	K218 D222	K218-I220 PolarHBondContact O-N 3.46Å; I220-D222 PolarHBondContact O-N 2.8Å
221	F	38.2	Very low	37.7	Very low	199 Å²	199	122.8 Å²	122.8	87%	0.873	67%	0.672	S	S	*	*			trans	-63.5	98.6	179.7	-71.9	-92.9	0	0	0	109.4	Q219	Q219-F221 PolarHBondContact O-N 2.8Å
222	D	35.8	Very low	37.6	Very low	153 Å²	153	124.5 Å²	124.5	82%	0.818	67%	0.673	S	S	*	*			trans	-95.5	108	149.9	-79	-18.3	0	0	0	107.3	I220 N224	I220-D222 PolarHBondContact O-N 2.8Å; D222-N224 PolarHBondContact O-N 2.93Å
223	S	37.6	Very low	37.3	Very low	102 Å²	102	119.9 Å²	119.9	71%	0.713	66%	0.658	S	S	*	*			trans	-48.1	115.9	174.6	50.3	0	0	0	0	111.5
224	N	39.8	Very low	36.7	Very low	154 Å²	154	118.2 Å²	118.2	82%	0.824	65%	0.653	S	S	*	*			trans	-170.6	156.2	136.2	-95.2	-18.8	0	0	0	113	D222	D222-N224 PolarHBondContact O-N 2.93Å
225	P	41	Very low	36.8	Very low	103 Å²	103	124.2 Å²	124.2	67%	0.669	68%	0.677	S	S	*	*			trans	-104.6	164.4	-137.6	37.6	-33.6	0	0	0	114.7
226	S	37	Very low	37.3	Very low	116 Å²	116	120 Å²	120	81%	0.811	66%	0.655	S	S	*	*	S	Bend	trans	67.4	104.3	154.3	34.2	0	0	0	0	117.9
227	G	37.1	Very low	38	Very low	81 Å²	81	120.9 Å²	120.9	84%	0.835	65%	0.648	S	S	*	*			trans	116.7	-1	146.7	0	0	0	0	0	117.7
228	V	34.7	Very low	38.5	Very low	125 Å²	125	124.5 Å²	124.5	76%	0.758	66%	0.66	S	S	*	*			trans	-92.2	117.5	177.6	-171.9	0	0	0	0	109.4	N230	V228-N230 PolarHBondContact O-N 2.96Å
229	I	33.3	Very low	39.5	Very low	140 Å²	140	118.9 Å²	118.9	72%	0.718	64%	0.639	S	S	*	*			trans	-54.3	109.9	168.8	-62	170	0	0	0	107.1	H231	I229-H231 VanDerWaalsContact C-N 3.33Å; I229-H231 PolarHBondContact O-N 3.49Å
230	N	31.7	Very low	41.2	Very low	137 Å²	137	114.7 Å²	114.7	73%	0.733	62%	0.624	S	S	*	*			trans	-62.1	91.8	177.6	-74.7	-21.7	0	0	0	109.5	V228 Q232	V228-N230 PolarHBondContact O-N 2.96Å; N230-Q232 VanDerWaalsContact C-N 3.28Å; N230-Q232 PolarHBondContact O-N 2.98Å
231	H	33.5	Very low	43.1	Very low	152 Å²	152	111.3 Å²	111.3	70%	0.704	61%	0.613	S	S	*	*			trans	-70.2	91.6	162.4	-81.9	-62.4	0	0	0	107.8	I229 T233	I229-H231 VanDerWaalsContact C-N 3.33Å; I229-H231 PolarHBondContact O-N 3.49Å; H231-T233 PolarHBondContact O-N 3.1Å; H231-T233 VanDerWaalsContact O-N 3.17Å
232	Q	35.7	Very low	45	Very low	132 Å²	132	105.5 Å²	105.5	62%	0.617	60%	0.597	S	S	*	*			trans	-55.9	118	167.9	-72.9	176.8	-18.5	0	0	108.6	N230 F234	N230-Q232 VanDerWaalsContact C-N 3.28Å; N230-Q232 PolarHBondContact O-N 2.98Å; Q232-F234 HydrophobicContact CB-CE2 4.19Å; Q232-F234 HydrophobicContact CB-CZ 4.09Å; Q232-F234 WeakPolarHBondContact O-CD2 3.39Å
233	T	32.8	Very low	47.1	Very low	62 Å²	62	103.5 Å²	103.5	38%	0.38	59%	0.585	S	S	.	*			trans	-81.3	136.4	176.7	49.1	0	0	0	0	110.1	H231	H231-T233 PolarHBondContact O-N 3.1Å; H231-T233 VanDerWaalsContact O-N 3.17Å
234	F	38.6	Very low	49	Very low	32 Å²	32	99.1 Å²	99.1	14%	0.14	55%	0.554	C	S	.	*	B	Isolated β-bridge	trans	-133.2	103.9	-161.7	-84.4	-43.3	0	0	0	108.2	L171 I209 T211 C214 Q232	L171-F234 HydrophobicContact CD2-CB 3.68Å; L171-F234 WeakPolarHBondContact CD2-O 3.43Å; I209-F234 HydrophobicContact CB-CD2 4.24Å; I209-F234 HydrophobicContact CB-CE2 4.26Å; I209-F234 HydrophobicContact CD1-CB 4.24Å; I209-F234 HydrophobicContact CD1-CD2 3.54Å; I209-F234 HydrophobicContact CD1-CE2 4.24Å; I209-F234 HydrophobicContact CD1-CG 4.22Å; I209-F234 HydrophobicContact CG1-CD2 4.49Å; I209-F234 HydrophobicContact CG2-CD1 4.45Å; I209-F234 HydrophobicContact CG2-CD2 3.95Å; I209-F234 HydrophobicContact CG2-CE2 4.13Å; I209-F234 HydrophobicContact CG2-CG 4.11Å; I209-F234 HydrophobicContact CG2-CZ 4.43Å; T211-F234 HydrophobicContact CG2-CE1 4.32Å; T211-F234 HydrophobicContact CG2-CZ 4.2Å; C214-F234 HydrophobicContact CB-CB 3.66Å; C214-F234 HydrophobicContact CB-CD1 3.23Å; C214-F234 HydrophobicContact CB-CE1 4.21Å; C214-F234 HydrophobicContact CB-CG 3.8Å; C214-F234 VanDerWaalsContact SG-C 3.56Å; C214-F234 WeakPolarHBondContact SG-CB 3.38Å; Q232-F234 HydrophobicContact CB-CE2 4.19Å; Q232-F234 HydrophobicContact CB-CZ 4.09Å; Q232-F234 WeakPolarHBondContact O-CD2 3.39Å
235	K	39.9	Very low	51.1	Low	138 Å²	138	97.5 Å²	97.5	60%	0.6	54%	0.542	S	S	*	.			trans	-82.4	138.2	176.2	-80.1	-174.9	174.3	-177.4	0	110.8	C214 K237	C214-K235 VanDerWaalsContact CA-O 3.27Å; C214-K235 WeakPolarHBondContact CA-O 3.4Å; C214-K235 PolarHBondContact SG-O 2.85Å; C214-K235 VanDerWaalsContact SG-O 3.37Å; K235-K237 PolarHBondContact O-N 2.83Å
236	L	50	Low	53.2	Low	37 Å²	37	94.5 Å²	94.5	19%	0.194	53%	0.526	C	S	.	.			trans	-55.6	122.1	171.3	-165.7	130	0	0	0	109.6	L120 W174 Q238	L120-L236 HydrophobicContact CD2-CD1 4.1Å; W174-L236 HydrophobicContact CD2-CD1 3.92Å; W174-L236 VanDerWaalsContact CE2-CD1 3.41Å; W174-L236 HydrophobicContact CE3-CD1 4.33Å; W174-L236 HydrophobicContact CH2-CD1 3.86Å; W174-L236 HydrophobicContact CZ2-CB 3.99Å; W174-L236 HydrophobicContact CZ2-CD1 3.4Å; W174-L236 VanDerWaalsContact CZ2-CD1 3.4Å; W174-L236 HydrophobicContact CZ2-CG 4.3Å; W174-L236 HydrophobicContact CZ3-CD1 4.3Å; L236-Q238 PolarHBondContact O-N 3.46Å
237	K	52.4	Low	55.5	Low	118 Å²	118	90.4 Å²	90.4	51%	0.513	49%	0.493	S	S	.	.			trans	-52.3	101.4	173.1	-99.1	-177.7	-175.9	175.9	0	108.8	K212 W213 K235 L239	K212-K237 WeakPolarHBondContact O-CD 3.38Å; K212-K237 WeakPolarHBondContact O-CE 3.44Å; K212-K237 PolarHBondContact O-NZ 3.35Å; W213-K237 WeakPolarHBondContact O-CB 3.18Å; W213-K237 WeakPolarHBondContact O-CG 3.44Å; W213-K237 PolarHBondContact O-N 3.42Å; K235-K237 PolarHBondContact O-N 2.83Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 3.05Å
238	Q	52.3	Low	57.8	Low	150 Å²	150	88.2 Å²	88.2	70%	0.701	46%	0.461	S	S	*	.			trans	-68.2	96.2	169.5	-72.3	-175.2	-19.8	0	0	106.5	L236 S240	L236-Q238 PolarHBondContact O-N 3.46Å; Q238-S240 PolarHBondContact O-N 2.75Å
239	L	60.7	Low	60.4	Low	76 Å²	76	87.1 Å²	87.1	40%	0.398	45%	0.447	S	S	.	.			trans	-50.5	139.4	159.7	-72.5	157.3	0	0	0	107.1	M161 K237 I244	M161-L239 HydrophobicContact CE-CD1 4.3Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 3.05Å; L239-I244 HydrophobicContact CB-CD1 3.75Å; L239-I244 HydrophobicContact CB-CG1 3.88Å; L239-I244 WeakPolarHBondContact O-CD1 3.48Å
240	S	70.1	Confident	63.1	Low	44 Å²	44	84.9 Å²	84.9	31%	0.308	44%	0.436	S	S	.	.			trans	-52.6	135.3	-176.3	65.7	0	0	0	0	110	Q238 S242 L243 I244	Q238-S240 PolarHBondContact O-N 2.75Å; S240-S242 PolarHBondContact O-N 2.92Å; S240-S242 PolarHBondContact OG-OG 2.93Å; S240-L243 PolarHBondContact O-N 2.82Å; S240-L243 WeakPolarHBondContact OG-CB 3.5Å; S240-L243 VanDerWaalsContact OG-CD1 3.24Å; S240-L243 WeakPolarHBondContact OG-CD1 3.49Å; S240-L243 WeakPolarHBondContact OG-CG 3.4Å; S240-L243 PolarHBondContact OG-N 3.06Å; S240-I244 PolarHBondContact O-N 3.35Å
241	P	73.3	Confident	65.9	Low	86 Å²	86	79.7 Å²	79.7	56%	0.558	41%	0.408	S	S	*	.	H	α-helix	trans	-52.5	-34.4	-179.3	-28.8	35	0	0	0	113	I244 Q245	P241-I244 PolarHBondContact O-N 3.23Å; P241-Q245 WeakPolarHBondContact O-CB 3.24Å; P241-Q245 PolarHBondContact O-N 2.64Å
242	S	78.8	Confident	68.6	Low	78 Å²	78	76.1 Å²	76.1	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.4	49.3	0	0	0	0	113.6	S240 I244 A246	S240-S242 PolarHBondContact O-N 2.92Å; S240-S242 PolarHBondContact OG-OG 2.93Å; S242-I244 VanDerWaalsContact C-N 3.32Å; S242-A246 VanDerWaalsContact O-CB 3.25Å; S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 3.19Å
243	L	79.7	Confident	71.3	Confident	110 Å²	110	74.3 Å²	74.3	58%	0.576	40%	0.395	S	S	*	.	H	α-helix	trans	-65.7	-38.5	177.3	-76	171.5	0	0	0	111.4	S240 H247	S240-L243 PolarHBondContact O-N 2.82Å; S240-L243 WeakPolarHBondContact OG-CB 3.5Å; S240-L243 VanDerWaalsContact OG-CD1 3.24Å; S240-L243 WeakPolarHBondContact OG-CD1 3.49Å; S240-L243 WeakPolarHBondContact OG-CG 3.4Å; S240-L243 PolarHBondContact OG-N 3.06Å; L243-H247 WeakPolarHBondContact O-CB 3.2Å; L243-H247 PolarHBondContact O-N 3.46Å
244	I	77.5	Confident	74.2	Confident	11 Å²	11	76.3 Å²	76.3	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-70.4	-46.3	180	-65	170.3	0	0	0	110.6	M161 L239 S240 P241 S242 A246 H247 F248	M161-I244 HydrophobicContact CB-CD1 3.93Å; M161-I244 HydrophobicContact CB-CG1 4.47Å; M161-I244 HydrophobicContact CB-CG2 3.79Å; M161-I244 HydrophobicContact CE-CD1 4.48Å; M161-I244 HydrophobicContact CE-CG1 4.12Å; M161-I244 HydrophobicContact CE-CG2 4.34Å; L239-I244 HydrophobicContact CB-CD1 3.75Å; L239-I244 HydrophobicContact CB-CG1 3.88Å; L239-I244 WeakPolarHBondContact O-CD1 3.48Å; S240-I244 PolarHBondContact O-N 3.35Å; P241-I244 PolarHBondContact O-N 3.23Å; S242-I244 VanDerWaalsContact C-N 3.32Å; I244-A246 VanDerWaalsContact C-N 3.31Å; I244-A246 PolarHBondContact O-N 3.2Å; I244-H247 WeakPolarHBondContact O-CB 3.47Å; I244-H247 PolarHBondContact O-N 3.3Å; I244-H247 VanDerWaalsContact O-N 3.13Å; I244-F248 HydrophobicContact CG2-CD2 3.7Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.26Å; I244-F248 WeakPolarHBondContact O-CD2 3.03Å; I244-F248 PolarHBondContact O-N 2.9Å
245	Q	82.7	Confident	76.7	Confident	120 Å²	120	77.4 Å²	77.4	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-58.5	-45.3	174.8	-175.6	178.2	4.6	0	0	111	P241 H247 F248 Q249	P241-Q245 WeakPolarHBondContact O-CB 3.24Å; P241-Q245 PolarHBondContact O-N 2.64Å; Q245-H247 VanDerWaalsContact C-N 3.29Å; Q245-H247 PolarHBondContact O-N 2.95Å; Q245-F248 PolarHBondContact O-N 2.85Å; Q245-Q249 WeakPolarHBondContact O-CB 3.12Å; Q245-Q249 VanDerWaalsContact O-CG 3.26Å; Q245-Q249 WeakPolarHBondContact O-CG 3.23Å; Q245-Q249 PolarHBondContact O-N 3.12Å
246	A	85.5	Confident	79.3	Confident	40 Å²	40	76 Å²	76	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-60.8	-38.8	175.6	0	0	0	0	0	111.9	S242 I244 Q249 L250	S242-A246 VanDerWaalsContact O-CB 3.25Å; S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 3.19Å; I244-A246 VanDerWaalsContact C-N 3.31Å; I244-A246 PolarHBondContact O-N 3.2Å; A246-Q249 PolarHBondContact O-N 3.37Å; A246-L250 WeakPolarHBondContact O-CB 3.35Å; A246-L250 VanDerWaalsContact O-CG 3.25Å; A246-L250 WeakPolarHBondContact O-CG 3.43Å; A246-L250 PolarHBondContact O-N 3.3Å
247	H	84.6	Confident	81.5	Confident	29 Å²	29	80.1 Å²	80.1	13%	0.134	42%	0.424	C	S	.	.	H	α-helix	trans	-61.9	-52.3	177.3	177.8	62.5	0	0	0	112.4	F125 L243 I244 Q245 Q249 L250 E251	F125-H247 AromaticContact CD1-CE1 3.39Å; F125-H247 WeakPolarHBondContact CD1-CE1 3.34Å; F125-H247 AromaticContact CD1-NE2 3.59Å; F125-H247 AromaticContact CE1-CE1 3.37Å; F125-H247 WeakPolarHBondContact CE1-CE1 3.43Å; F125-H247 AromaticContact CE1-ND1 3.73Å; F125-H247 AromaticContact CE1-NE2 3.58Å; L243-H247 WeakPolarHBondContact O-CB 3.2Å; L243-H247 PolarHBondContact O-N 3.46Å; I244-H247 WeakPolarHBondContact O-CB 3.47Å; I244-H247 PolarHBondContact O-N 3.3Å; I244-H247 VanDerWaalsContact O-N 3.13Å; Q245-H247 VanDerWaalsContact C-N 3.29Å; Q245-H247 PolarHBondContact O-N 2.95Å; H247-Q249 VanDerWaalsContact C-N 3.31Å; H247-Q249 PolarHBondContact O-N 2.91Å; H247-L250 WeakPolarHBondContact O-CB 3.26Å; H247-L250 PolarHBondContact O-N 2.67Å; H247-L250 VanDerWaalsContact O-N 3.15Å; H247-E251 IonicContact CE1-OE1 2.89Å; H247-E251 PolarHBondContact CE1-OE1 2.82Å; H247-E251 IonicContact NE2-OE1 3.8Å; H247-E251 PolarHBondContact NE2-OE1 3.32Å; H247-E251 PolarHBondContact O-N 2.94Å
248	F	86.7	Confident	83.5	Confident	35 Å²	35	76.9 Å²	76.9	15%	0.154	41%	0.408	C	S	.	.	H	α-helix	trans	-66.1	-33.5	178.9	-69.8	-63.6	0	0	0	112.6	R157 P158 M161 I244 Q245 E251 S252	R157-F248 HydrophobicContact CB-CE1 4.06Å; R157-F248 HydrophobicContact CB-CZ 3.85Å; P158-F248 HydrophobicContact CB-CD2 4.29Å; P158-F248 HydrophobicContact CB-CE2 3.86Å; P158-F248 HydrophobicContact CB-CZ 4.08Å; P158-F248 HydrophobicContact CG-CD1 4.07Å; P158-F248 HydrophobicContact CG-CD2 4.13Å; P158-F248 HydrophobicContact CG-CE1 3.73Å; P158-F248 HydrophobicContact CG-CE2 3.77Å; P158-F248 HydrophobicContact CG-CG 4.28Å; P158-F248 HydrophobicContact CG-CZ 3.58Å; M161-F248 HydrophobicContact CB-CE2 4.44Å; M161-F248 HydrophobicContact SD-CE2 4.21Å; M161-F248 HydrophobicContact SD-CZ 3.81Å; I244-F248 HydrophobicContact CG2-CD2 3.7Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.26Å; I244-F248 WeakPolarHBondContact O-CD2 3.03Å; I244-F248 PolarHBondContact O-N 2.9Å; Q245-F248 PolarHBondContact O-N 2.85Å; F248-E251 PolarHBondContact O-N 3.42Å; F248-S252 WeakPolarHBondContact O-CB 3.48Å; F248-S252 PolarHBondContact O-N 3.07Å
249	Q	89	Confident	85.5	Confident	102 Å²	102	72.9 Å²	72.9	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-43.5	171	-76	175.3	-13.5	0	0	111.8	Q245 A246 H247 S252 N253	Q245-Q249 WeakPolarHBondContact O-CB 3.12Å; Q245-Q249 VanDerWaalsContact O-CG 3.26Å; Q245-Q249 WeakPolarHBondContact O-CG 3.23Å; Q245-Q249 PolarHBondContact O-N 3.12Å; A246-Q249 PolarHBondContact O-N 3.37Å; H247-Q249 VanDerWaalsContact C-N 3.31Å; H247-Q249 PolarHBondContact O-N 2.91Å; Q249-S252 PolarHBondContact O-N 3.19Å; Q249-N253 WeakPolarHBondContact O-CB 3.18Å; Q249-N253 PolarHBondContact O-N 3.09Å; Q249-N253 PolarHBondContact O-ND2 2.95Å
250	L	90.3	Very high	87.2	Confident	93 Å²	93	73 Å²	73	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.6	-73.2	171.2	0	0	0	112.3	A246 H247 N253 R254	A246-L250 WeakPolarHBondContact O-CB 3.35Å; A246-L250 VanDerWaalsContact O-CG 3.25Å; A246-L250 WeakPolarHBondContact O-CG 3.43Å; A246-L250 PolarHBondContact O-N 3.3Å; H247-L250 WeakPolarHBondContact O-CB 3.26Å; H247-L250 PolarHBondContact O-N 2.67Å; H247-L250 VanDerWaalsContact O-N 3.15Å; L250-N253 PolarHBondContact O-N 2.94Å; L250-R254 VanDerWaalsContact O-CG 3.32Å; L250-R254 WeakPolarHBondContact O-CG 3.28Å; L250-R254 PolarHBondContact O-N 2.88Å
251	E	89	Confident	88.5	Confident	28 Å²	28	75 Å²	75	13%	0.131	40%	0.401	C	S	.	.	H	α-helix	trans	-63.9	-45.3	174.3	-70.1	-164.5	153.1	0	0	112	R157 H247 F248 N253 R254 S255	R157-E251 IonicContact CZ-OE2 3.59Å; R157-E251 IonicContact NH1-OE1 3.91Å; R157-E251 PolarHBondContact NH1-OE1 3.16Å; R157-E251 IonicContact NH1-OE2 2.64Å; R157-E251 PolarHBondContact NH1-OE2 3.14Å; R157-E251 VanDerWaalsContact NH1-OE2 3.17Å; R157-E251 IonicContact NH2-OE2 3.81Å; R157-E251 PolarHBondContact NH2-OE2 2.92Å; H247-E251 IonicContact CE1-OE1 2.89Å; H247-E251 PolarHBondContact CE1-OE1 2.82Å; H247-E251 IonicContact NE2-OE1 3.8Å; H247-E251 PolarHBondContact NE2-OE1 3.32Å; H247-E251 PolarHBondContact O-N 2.94Å; F248-E251 PolarHBondContact O-N 3.42Å; E251-N253 VanDerWaalsContact C-N 3.34Å; E251-N253 PolarHBondContact O-N 2.77Å; E251-R254 PolarHBondContact O-N 3.39Å; E251-S255 PolarHBondContact O-N 2.88Å
252	S	90.7	Very high	89.7	Confident	77 Å²	77	71 Å²	71	54%	0.538	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-44.6	175	-174.5	0	0	0	0	111.7	F248 Q249 R254 S255 L256	F248-S252 WeakPolarHBondContact O-CB 3.48Å; F248-S252 PolarHBondContact O-N 3.07Å; Q249-S252 PolarHBondContact O-N 3.19Å; S252-R254 PolarHBondContact O-N 2.98Å; S252-S255 WeakPolarHBondContact O-CB 3.36Å; S252-S255 PolarHBondContact O-N 2.64Å; S252-L256 PolarHBondContact O-N 2.86Å
253	N	93.8	Very high	90.5	Very high	95 Å²	95	68.8 Å²	68.8	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.3	-71.7	-12.7	0	0	0	112	Q249 L250 E251 S255 L256 E257	Q249-N253 WeakPolarHBondContact O-CB 3.18Å; Q249-N253 PolarHBondContact O-N 3.09Å; Q249-N253 PolarHBondContact O-ND2 2.95Å; L250-N253 PolarHBondContact O-N 2.94Å; E251-N253 VanDerWaalsContact C-N 3.34Å; E251-N253 PolarHBondContact O-N 2.77Å; N253-S255 VanDerWaalsContact C-N 3.31Å; N253-S255 PolarHBondContact O-N 3.16Å; N253-L256 PolarHBondContact O-N 3.45Å; N253-E257 WeakPolarHBondContact O-CB 3.23Å; N253-E257 PolarHBondContact O-N 2.94Å
254	R	92.1	Very high	91.4	Very high	103 Å²	103	68 Å²	68	39%	0.389	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-36.5	174.8	-74.7	176.4	-173.4	153.4	2.4	112.4	R127 L250 E251 S252 R258	R127-R254 VanDerWaalsContact CZ-NH1 3.31Å; L250-R254 VanDerWaalsContact O-CG 3.32Å; L250-R254 WeakPolarHBondContact O-CG 3.28Å; L250-R254 PolarHBondContact O-N 2.88Å; E251-R254 PolarHBondContact O-N 3.39Å; S252-R254 PolarHBondContact O-N 2.98Å; R254-R258 VanDerWaalsContact O-CB 3.29Å; R254-R258 WeakPolarHBondContact O-CB 3.31Å; R254-R258 PolarHBondContact O-N 2.8Å
255	S	91.6	Very high	92.4	Very high	56 Å²	56	70 Å²	70	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-46.5	174.4	-162.7	0	0	0	0	110.8	E251 S252 N253 R258 E259	E251-S255 PolarHBondContact O-N 2.88Å; S252-S255 WeakPolarHBondContact O-CB 3.36Å; S252-S255 PolarHBondContact O-N 2.64Å; N253-S255 VanDerWaalsContact C-N 3.31Å; N253-S255 PolarHBondContact O-N 3.16Å; S255-R258 PolarHBondContact O-N 2.68Å; S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.84Å; S255-E259 VanDerWaalsContact O-N 3.1Å
256	L	93.9	Very high	93.1	Very high	107 Å²	107	64.6 Å²	64.6	56%	0.56	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-44.7	177.3	-168.3	90.5	0	0	0	112.1	S252 N253 R258 E259 N260	S252-L256 PolarHBondContact O-N 2.86Å; N253-L256 PolarHBondContact O-N 3.45Å; L256-R258 VanDerWaalsContact C-N 3.32Å; L256-R258 PolarHBondContact O-N 3.42Å; L256-E259 PolarHBondContact O-N 3.11Å; L256-N260 WeakPolarHBondContact O-CB 3.45Å; L256-N260 VanDerWaalsContact O-CG 3.26Å; L256-N260 PolarHBondContact O-N 3.07Å; L256-N260 PolarHBondContact O-ND2 3.12Å
257	E	96.3	Very high	93.7	Very high	125 Å²	125	70.1 Å²	70.1	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-60.6	-42.4	178.8	-176.9	179.7	-169.4	0	0	111.4	N253 N260 T261	N253-E257 WeakPolarHBondContact O-CB 3.23Å; N253-E257 PolarHBondContact O-N 2.94Å; E257-N260 PolarHBondContact O-N 3.34Å; E257-T261 VanDerWaalsContact O-CB 3.29Å; E257-T261 WeakPolarHBondContact O-CB 3.38Å; E257-T261 PolarHBondContact O-N 3.28Å; E257-T261 PolarHBondContact O-OG1 2.71Å
258	R	94.6	Very high	94.3	Very high	49 Å²	49	74.2 Å²	74.2	19%	0.185	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-51.7	175	175.5	-164.5	-66.1	144.9	8	111.6	R254 S255 L256 N260 T261 F262 T482 V483 Y486	R254-R258 VanDerWaalsContact O-CB 3.29Å; R254-R258 WeakPolarHBondContact O-CB 3.31Å; R254-R258 PolarHBondContact O-N 2.8Å; S255-R258 PolarHBondContact O-N 2.68Å; L256-R258 VanDerWaalsContact C-N 3.32Å; L256-R258 PolarHBondContact O-N 3.42Å; R258-N260 VanDerWaalsContact C-N 3.31Å; R258-N260 PolarHBondContact O-N 3.25Å; R258-T261 PolarHBondContact O-N 2.88Å; R258-F262 WeakPolarHBondContact O-CB 3.29Å; R258-F262 PolarHBondContact O-N 2.67Å; R258-T482 WeakPolarHBondContact CD-O 3.39Å; R258-T482 PolarHBondContact NE-O 2.76Å; R258-V483 HydrophobicContact CG-CG1 4Å; R258-Y486 VanDerWaalsContact CZ-CG 3.42Å; R258-Y486 VanDerWaalsContact NH1-CD2 3.34Å; R258-Y486 VanDerWaalsContact NH2-CE2 3.28Å; R258-Y486 PolarHBondContact NH2-OH 3.38Å
259	E	94.7	Very high	94.8	Very high	66 Å²	66	72.7 Å²	72.7	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-41.3	178.6	-69.4	-57.6	149.4	0	0	111.8	S255 L256 F262 T263	S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.84Å; S255-E259 VanDerWaalsContact O-N 3.1Å; L256-E259 PolarHBondContact O-N 3.11Å; E259-F262 PolarHBondContact O-N 3.36Å; E259-T263 VanDerWaalsContact O-CB 3.28Å; E259-T263 WeakPolarHBondContact O-CB 3.2Å; E259-T263 PolarHBondContact O-N 3.36Å; E259-T263 PolarHBondContact O-OG1 3Å
260	N	96.4	Very high	95.1	Very high	80 Å²	80	72.2 Å²	72.2	43%	0.428	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-42.9	176.2	-75.3	-25.9	0	0	0	112.2	L256 E257 R258 T263 N264	L256-N260 WeakPolarHBondContact O-CB 3.45Å; L256-N260 VanDerWaalsContact O-CG 3.26Å; L256-N260 PolarHBondContact O-N 3.07Å; L256-N260 PolarHBondContact O-ND2 3.12Å; E257-N260 PolarHBondContact O-N 3.34Å; R258-N260 VanDerWaalsContact C-N 3.31Å; R258-N260 PolarHBondContact O-N 3.25Å; N260-T263 PolarHBondContact O-N 2.56Å; N260-N264 WeakPolarHBondContact O-CB 3.38Å; N260-N264 VanDerWaalsContact O-CG 3.23Å; N260-N264 PolarHBondContact O-N 2.95Å; N260-N264 PolarHBondContact O-ND2 3.38Å
261	T	97.8	Very high	95.3	Very high	85 Å²	85	75.9 Å²	75.9	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-46.8	177.7	-59.9	0	0	0	0	110.6	E257 R258 N264 Y265	E257-T261 VanDerWaalsContact O-CB 3.29Å; E257-T261 WeakPolarHBondContact O-CB 3.38Å; E257-T261 PolarHBondContact O-N 3.28Å; E257-T261 PolarHBondContact O-OG1 2.71Å; R258-T261 PolarHBondContact O-N 2.88Å; T261-N264 PolarHBondContact O-N 3.36Å; T261-Y265 PolarHBondContact O-N 3.41Å
262	F	97.8	Very high	95.6	Very high	1 Å²	1	77.7 Å²	77.7	0%	0.004	37%	0.371	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176.4	-178.3	-101.9	0	0	0	111.8	R258 E259 N264 Y265 V266 F289 F299 V479 V483	R258-F262 WeakPolarHBondContact O-CB 3.29Å; R258-F262 PolarHBondContact O-N 2.67Å; E259-F262 PolarHBondContact O-N 3.36Å; F262-N264 VanDerWaalsContact C-N 3.3Å; F262-N264 PolarHBondContact O-N 2.98Å; F262-Y265 WeakPolarHBondContact O-CB 3.45Å; F262-Y265 PolarHBondContact O-N 2.9Å; F262-Y265 VanDerWaalsContact O-N 3.16Å; F262-V266 HydrophobicContact CD1-CG2 4.11Å; F262-V266 HydrophobicContact CE1-CG2 3.62Å; F262-V266 HydrophobicContact CE2-CG2 4.19Å; F262-V266 HydrophobicContact CZ-CG2 3.66Å; F262-V266 WeakPolarHBondContact O-CG2 3.3Å; F262-V266 PolarHBondContact O-N 2.91Å; F262-F289 HydrophobicContact CD1-CE1 4.32Å; F262-F289 HydrophobicContact CD1-CZ 4.41Å; F262-F289 AromaticContact CE1-CE1 3.85Å; F262-F289 HydrophobicContact CE1-CE1 3.85Å; F262-F289 HydrophobicContact CE1-CZ 4.04Å; F262-F299 HydrophobicContact CE1-CB 3.89Å; F262-F299 HydrophobicContact CE1-CD1 4.12Å; F262-F299 AromaticContact CE1-CD2 3.93Å; F262-F299 HydrophobicContact CE1-CD2 3.93Å; F262-F299 AromaticContact CE1-CG 3.72Å; F262-F299 HydrophobicContact CE1-CG 3.72Å; F262-F299 HydrophobicContact CE2-CD1 4.41Å; F262-F299 HydrophobicContact CE2-CE1 4.33Å; F262-F299 HydrophobicContact CZ-CB 4.26Å; F262-F299 AromaticContact CZ-CD1 3.62Å; F262-F299 HydrophobicContact CZ-CD1 3.62Å; F262-F299 AromaticContact CZ-CD2 3.71Å; F262-F299 HydrophobicContact CZ-CD2 3.71Å; F262-F299 AromaticContact CZ-CE1 3.75Å; F262-F299 HydrophobicContact CZ-CE1 3.75Å; F262-F299 AromaticContact CZ-CE2 3.92Å; F262-F299 HydrophobicContact CZ-CE2 3.92Å; F262-F299 AromaticContact CZ-CG 3.6Å; F262-F299 HydrophobicContact CZ-CG 3.6Å; F262-F299 AromaticContact CZ-CZ 3.92Å; F262-F299 HydrophobicContact CZ-CZ 3.92Å; F262-V479 HydrophobicContact CD2-CG1 3.77Å; F262-V479 HydrophobicContact CE2-CG1 4.07Å; F262-V483 HydrophobicContact CB-CG1 3.56Å; F262-V483 HydrophobicContact CD1-CG1 4.02Å; F262-V483 HydrophobicContact CD1-CG2 4.23Å; F262-V483 HydrophobicContact CD2-CG1 3.96Å; F262-V483 HydrophobicContact CD2-CG2 3.74Å; F262-V483 HydrophobicContact CE1-CG2 4.2Å; F262-V483 HydrophobicContact CE2-CG2 3.72Å; F262-V483 HydrophobicContact CG-CB 4.45Å; F262-V483 HydrophobicContact CG-CG1 3.56Å; F262-V483 HydrophobicContact CG-CG2 4.01Å; F262-V483 HydrophobicContact CZ-CG2 3.96Å
263	T	96.9	Very high	95.7	Very high	33 Å²	33	74 Å²	74	20%	0.202	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-41.6	177.1	-60.7	0	0	0	0	111.7	E259 N260 V266 R267	E259-T263 VanDerWaalsContact O-CB 3.28Å; E259-T263 WeakPolarHBondContact O-CB 3.2Å; E259-T263 PolarHBondContact O-N 3.36Å; E259-T263 PolarHBondContact O-OG1 3Å; N260-T263 PolarHBondContact O-N 2.56Å; T263-V266 PolarHBondContact O-N 2.94Å; T263-R267 WeakPolarHBondContact O-CG 3.4Å; T263-R267 PolarHBondContact O-N 3.46Å
264	N	97.9	Very high	95.7	Very high	93 Å²	93	71.8 Å²	71.8	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-41.5	176.4	-71.6	-23.5	0	0	0	111.9	N260 T261 F262 R267 Q268	N260-N264 WeakPolarHBondContact O-CB 3.38Å; N260-N264 VanDerWaalsContact O-CG 3.23Å; N260-N264 PolarHBondContact O-N 2.95Å; N260-N264 PolarHBondContact O-ND2 3.38Å; T261-N264 PolarHBondContact O-N 3.36Å; F262-N264 VanDerWaalsContact C-N 3.3Å; F262-N264 PolarHBondContact O-N 2.98Å; N264-R267 PolarHBondContact O-N 3.24Å; N264-R267 PolarHBondContact OD1-NH1 2.95Å; N264-Q268 PolarHBondContact O-N 3.32Å
265	Y	98.4	Very high	95.7	Very high	54 Å²	54	73.5 Å²	73.5	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-49.7	172.2	168.2	-95.9	0	0	0	111.7	T261 F262 R267 Q268 W269 M475 S476 V479	T261-Y265 PolarHBondContact O-N 3.41Å; F262-Y265 WeakPolarHBondContact O-CB 3.45Å; F262-Y265 PolarHBondContact O-N 2.9Å; F262-Y265 VanDerWaalsContact O-N 3.16Å; Y265-R267 VanDerWaalsContact C-N 3.32Å; Y265-R267 PolarHBondContact O-N 2.79Å; Y265-Q268 WeakPolarHBondContact O-CB 2.98Å; Y265-Q268 PolarHBondContact O-N 3.46Å; Y265-Q268 VanDerWaalsContact O-N 3.14Å; Y265-W269 HydrophobicContact CE1-CB 4.42Å; Y265-W269 WeakPolarHBondContact O-CB 3.34Å; Y265-W269 PolarHBondContact O-N 3.34Å; Y265-M475 HydrophobicContact CE1-CB 4.24Å; Y265-M475 HydrophobicContact CE1-CG 4.18Å; Y265-M475 HydrophobicContact CE1-SD 4.36Å; Y265-M475 WeakPolarHBondContact OH-CA 3.48Å; Y265-S476 PolarHBondContact OH-N 3.22Å; Y265-V479 HydrophobicContact CD1-CB 4.32Å; Y265-V479 HydrophobicContact CD1-CG1 3.4Å; Y265-V479 HydrophobicContact CD2-CG1 4.09Å; Y265-V479 HydrophobicContact CD2-CG2 4.14Å; Y265-V479 HydrophobicContact CE1-CB 4.19Å; Y265-V479 HydrophobicContact CE1-CG1 3.72Å; Y265-V479 HydrophobicContact CE2-CB 4.46Å; Y265-V479 HydrophobicContact CE2-CG1 4.36Å; Y265-V479 HydrophobicContact CE2-CG2 4.05Å; Y265-V479 HydrophobicContact CG-CG1 3.6Å; Y265-V479 HydrophobicContact CG-CG2 4.49Å
266	V	97.8	Very high	95.7	Very high	6 Å²	6	75.5 Å²	75.5	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-61.1	-42.1	-179.9	170.5	0	0	0	0	111.2	F262 T263 Q268 W269 W270 I288 F289 M475	F262-V266 HydrophobicContact CD1-CG2 4.11Å; F262-V266 HydrophobicContact CE1-CG2 3.62Å; F262-V266 HydrophobicContact CE2-CG2 4.19Å; F262-V266 HydrophobicContact CZ-CG2 3.66Å; F262-V266 WeakPolarHBondContact O-CG2 3.3Å; F262-V266 PolarHBondContact O-N 2.91Å; T263-V266 PolarHBondContact O-N 2.94Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.74Å; V266-W269 PolarHBondContact O-N 3.32Å; V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.86Å; V266-I288 HydrophobicContact CG1-CB 4.5Å; V266-I288 HydrophobicContact CG1-CD1 3.76Å; V266-I288 HydrophobicContact CG1-CG2 3.79Å; V266-I288 HydrophobicContact CG2-CG2 4.27Å; V266-F289 HydrophobicContact CB-CE2 4.2Å; V266-F289 HydrophobicContact CB-CZ 4.1Å; V266-F289 HydrophobicContact CG1-CE2 3.58Å; V266-F289 HydrophobicContact CG1-CZ 3.96Å; V266-F289 HydrophobicContact CG2-CE2 4.46Å; V266-F289 HydrophobicContact CG2-CZ 3.99Å; V266-M475 HydrophobicContact CG2-CE 4.39Å
267	R	97.1	Very high	95.3	Very high	155 Å²	155	76 Å²	76	59%	0.585	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-43.2	175.4	-74.9	172.9	179.5	145.9	0.2	111.7	T263 N264 Y265 R271	T263-R267 WeakPolarHBondContact O-CG 3.4Å; T263-R267 PolarHBondContact O-N 3.46Å; N264-R267 PolarHBondContact O-N 3.24Å; N264-R267 PolarHBondContact OD1-NH1 2.95Å; Y265-R267 VanDerWaalsContact C-N 3.32Å; Y265-R267 PolarHBondContact O-N 2.79Å; R267-R271 VanDerWaalsContact O-CG 3.26Å; R267-R271 WeakPolarHBondContact O-CG 3.1Å; R267-R271 PolarHBondContact O-N 3.33Å
268	Q	97.6	Very high	94.8	Very high	115 Å²	115	79.1 Å²	79.1	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-49	175.8	179.7	179.6	-16.6	0	0	111.1	N264 Y265 V266 W270 R271 E272	N264-Q268 PolarHBondContact O-N 3.32Å; Y265-Q268 WeakPolarHBondContact O-CB 2.98Å; Y265-Q268 PolarHBondContact O-N 3.46Å; Y265-Q268 VanDerWaalsContact O-N 3.14Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.74Å; Q268-W270 VanDerWaalsContact C-N 3.29Å; Q268-W270 PolarHBondContact O-N 2.77Å; Q268-R271 WeakPolarHBondContact O-CB 3.37Å; Q268-R271 PolarHBondContact O-N 2.92Å; Q268-R271 VanDerWaalsContact O-N 3.11Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.31Å; Q268-E272 PolarHBondContact NE2-OE1 2.97Å; Q268-E272 WeakPolarHBondContact O-CG 3.31Å; Q268-E272 PolarHBondContact O-N 2.86Å
269	W	97.1	Very high	94.2	Very high	4 Å²	4	79.7 Å²	79.7	2%	0.015	38%	0.384	C	S	.	.	H	α-helix	trans	-57.8	-41.7	179	-179.6	94.3	0	0	0	112	Y265 V266 E272 L273 I288 F449 A451 R473 P474 M475	Y265-W269 HydrophobicContact CE1-CB 4.42Å; Y265-W269 WeakPolarHBondContact O-CB 3.34Å; Y265-W269 PolarHBondContact O-N 3.34Å; V266-W269 PolarHBondContact O-N 3.32Å; W269-E272 PolarHBondContact O-N 2.85Å; W269-L273 HydrophobicContact CH2-CD2 4.09Å; W269-L273 HydrophobicContact CZ3-CD2 4.01Å; W269-L273 WeakPolarHBondContact O-CB 3.28Å; W269-L273 PolarHBondContact O-N 3.47Å; W269-I288 HydrophobicContact CE3-CD1 4.02Å; W269-I288 HydrophobicContact CZ3-CD1 3.69Å; W269-I288 HydrophobicContact CZ3-CG1 4.44Å; W269-F449 HydrophobicContact CH2-CD1 4.25Å; W269-F449 AromaticContact CH2-CE1 3.86Å; W269-F449 HydrophobicContact CH2-CE1 3.86Å; W269-F449 HydrophobicContact CZ2-CD1 4.48Å; W269-F449 HydrophobicContact CZ3-CE1 4.38Å; W269-A451 HydrophobicContact CH2-CB 3.63Å; W269-A451 HydrophobicContact CZ2-CB 4.15Å; W269-R473 HydrophobicContact CZ2-CB 4.33Å; W269-R473 HydrophobicContact CZ2-CG 3.77Å; W269-P474 PolarHBondContact NE1-O 3.07Å; W269-M475 HydrophobicContact CD2-CE 3.78Å; W269-M475 HydrophobicContact CD2-CG 4.03Å; W269-M475 HydrophobicContact CE3-CE 3.53Å; W269-M475 HydrophobicContact CG-CE 4.46Å; W269-M475 HydrophobicContact CG-CG 4.24Å; W269-M475 HydrophobicContact CH2-CE 4.04Å; W269-M475 HydrophobicContact CZ2-CE 4.26Å; W269-M475 HydrophobicContact CZ2-CG 4.07Å; W269-M475 HydrophobicContact CZ3-CE 3.69Å
270	W	95.9	Very high	93.9	Very high	91 Å²	91	79.2 Å²	79.2	35%	0.345	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-42.1	175.6	-176.2	-104.4	0	0	0	112.2	V266 Q268 L273 T274 I286 I288	V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.86Å; Q268-W270 VanDerWaalsContact C-N 3.29Å; Q268-W270 PolarHBondContact O-N 2.77Å; W270-L273 HydrophobicContact CE3-CD2 3.81Å; W270-L273 HydrophobicContact CZ3-CD2 3.72Å; W270-L273 WeakPolarHBondContact O-CB 3.44Å; W270-L273 PolarHBondContact O-N 2.99Å; W270-T274 HydrophobicContact CD2-CG2 4.47Å; W270-T274 HydrophobicContact CZ2-CG2 4.32Å; W270-T274 WeakPolarHBondContact O-CG2 3.42Å; W270-T274 PolarHBondContact O-N 2.9Å; W270-T274 PolarHBondContact O-OG1 3.48Å; W270-I286 HydrophobicContact CH2-CB 4.24Å; W270-I286 HydrophobicContact CZ3-CB 3.89Å; W270-I286 HydrophobicContact CZ3-CD1 4.27Å; W270-I286 HydrophobicContact CZ3-CG2 3.76Å; W270-I288 HydrophobicContact CE3-CD1 3.99Å
271	R	94.8	Very high	93.5	Very high	171 Å²	171	75.8 Å²	75.8	65%	0.645	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-48.4	175	-74	175.1	69.8	175	3.3	111.1	R267 Q268 L273 T274 Q275	R267-R271 VanDerWaalsContact O-CG 3.26Å; R267-R271 WeakPolarHBondContact O-CG 3.1Å; R267-R271 PolarHBondContact O-N 3.33Å; Q268-R271 WeakPolarHBondContact O-CB 3.37Å; Q268-R271 PolarHBondContact O-N 2.92Å; Q268-R271 VanDerWaalsContact O-N 3.11Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.48Å; R271-T274 PolarHBondContact O-N 2.62Å; R271-T274 PolarHBondContact O-OG1 2.73Å; R271-Q275 WeakPolarHBondContact O-CG 3.12Å; R271-Q275 PolarHBondContact O-N 2.94Å
272	E	94.6	Very high	92.9	Very high	65 Å²	65	76.5 Å²	76.5	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-42	176.2	-69.9	173.7	-166.5	0	0	111.9	Q268 W269 Q275 L276 R473	Q268-E272 WeakPolarHBondContact CG-OE1 3.31Å; Q268-E272 PolarHBondContact NE2-OE1 2.97Å; Q268-E272 WeakPolarHBondContact O-CG 3.31Å; Q268-E272 PolarHBondContact O-N 2.86Å; W269-E272 PolarHBondContact O-N 2.85Å; E272-Q275 PolarHBondContact O-N 3.12Å; E272-L276 PolarHBondContact O-N 2.63Å; E272-R473 IonicContact OE2-NH2 2.69Å; E272-R473 PolarHBondContact OE2-NH2 3.03Å
273	L	93.1	Very high	92.3	Very high	0 Å²	0	84.9 Å²	84.9	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-59.8	-50.5	176.5	-173.2	77.9	0	0	0	111.3	W269 W270 R271 Q275 L276 F281 I286 A451 I453 R473	W269-L273 HydrophobicContact CH2-CD2 4.09Å; W269-L273 HydrophobicContact CZ3-CD2 4.01Å; W269-L273 WeakPolarHBondContact O-CB 3.28Å; W269-L273 PolarHBondContact O-N 3.47Å; W270-L273 HydrophobicContact CE3-CD2 3.81Å; W270-L273 HydrophobicContact CZ3-CD2 3.72Å; W270-L273 WeakPolarHBondContact O-CB 3.44Å; W270-L273 PolarHBondContact O-N 2.99Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.48Å; L273-Q275 VanDerWaalsContact C-N 3.27Å; L273-Q275 PolarHBondContact O-N 3.04Å; L273-L276 HydrophobicContact CD1-CD1 4.28Å; L273-L276 VanDerWaalsContact O-CB 3.32Å; L273-L276 WeakPolarHBondContact O-CB 3.31Å; L273-L276 WeakPolarHBondContact O-CG 3.45Å; L273-L276 PolarHBondContact O-N 3.21Å; L273-L276 VanDerWaalsContact O-N 3.13Å; L273-F281 HydrophobicContact CD1-CE1 4.14Å; L273-F281 HydrophobicContact CD1-CZ 4.18Å; L273-F281 HydrophobicContact CD2-CD1 4.17Å; L273-F281 HydrophobicContact CD2-CE1 4.45Å; L273-F281 HydrophobicContact CD2-CG 4.49Å; L273-F281 HydrophobicContact CG-CD1 4.21Å; L273-F281 HydrophobicContact CG-CD2 4.48Å; L273-F281 HydrophobicContact CG-CE1 4.13Å; L273-F281 HydrophobicContact CG-CE2 4.35Å; L273-F281 HydrophobicContact CG-CG 4.41Å; L273-F281 HydrophobicContact CG-CZ 4.18Å; L273-F281 WeakPolarHBondContact O-CE2 3.39Å; L273-I286 HydrophobicContact CD2-CD1 3.83Å; L273-A451 HydrophobicContact CD1-CB 4.23Å; L273-A451 HydrophobicContact CD2-CB 4.2Å; L273-I453 HydrophobicContact CD1-CG2 3.59Å; L273-R473 HydrophobicContact CD1-CB 3.9Å; L273-R473 HydrophobicContact CD1-CG 3.86Å
274	T	93.1	Very high	92.1	Very high	49 Å²	49	84.4 Å²	84.4	30%	0.301	41%	0.405	S	S	.	.	H	α-helix	trans	-66.2	-27	-179.2	56.5	0	0	0	0	113.6	W270 R271 L276 R277	W270-T274 HydrophobicContact CD2-CG2 4.47Å; W270-T274 HydrophobicContact CZ2-CG2 4.32Å; W270-T274 WeakPolarHBondContact O-CG2 3.42Å; W270-T274 PolarHBondContact O-N 2.9Å; W270-T274 PolarHBondContact O-OG1 3.48Å; R271-T274 PolarHBondContact O-N 2.62Å; R271-T274 PolarHBondContact O-OG1 2.73Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 3.07Å; T274-R277 CarbonylContact O-C 3.57Å
275	Q	93	Very high	91.8	Very high	139 Å²	139	82.5 Å²	82.5	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-71.8	-18.7	174.8	-75.8	175.4	-9.2	0	0	113.4	R271 E272 L273 R277	R271-Q275 WeakPolarHBondContact O-CG 3.12Å; R271-Q275 PolarHBondContact O-N 2.94Å; E272-Q275 PolarHBondContact O-N 3.12Å; L273-Q275 VanDerWaalsContact C-N 3.27Å; L273-Q275 PolarHBondContact O-N 3.04Å; Q275-R277 VanDerWaalsContact C-N 3.3Å; Q275-R277 PolarHBondContact O-N 2.77Å
276	L	90.1	Very high	91.7	Very high	97 Å²	97	80.9 Å²	80.9	51%	0.508	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-41.3	176.2	-64.9	175	0	0	0	111.3	E272 L273 T274 F281 I453	E272-L276 PolarHBondContact O-N 2.63Å; L273-L276 HydrophobicContact CD1-CD1 4.28Å; L273-L276 VanDerWaalsContact O-CB 3.32Å; L273-L276 WeakPolarHBondContact O-CB 3.31Å; L273-L276 WeakPolarHBondContact O-CG 3.45Å; L273-L276 PolarHBondContact O-N 3.21Å; L273-L276 VanDerWaalsContact O-N 3.13Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 3.07Å; L276-F281 HydrophobicContact CB-CE2 4.22Å; L276-I453 HydrophobicContact CD1-CD1 4.49Å
277	R	87.4	Confident	91.6	Very high	119 Å²	119	83.3 Å²	83.3	45%	0.449	40%	0.399	S	S	.	.	S	Bend	trans	-156	110.4	179.6	-62.8	-175.5	-172.2	166.2	3.4	109.9	T274 Q275 F280 F281	T274-R277 CarbonylContact O-C 3.57Å; Q275-R277 VanDerWaalsContact C-N 3.3Å; Q275-R277 PolarHBondContact O-N 2.77Å; R277-F280 HydrophobicContact CB-CB 3.43Å; R277-F280 VanDerWaalsContact CB-CB 3.43Å; R277-F280 HydrophobicContact CB-CD1 4.17Å; R277-F280 HydrophobicContact CB-CG 3.89Å; R277-F280 WeakPolarHBondContact O-CB 3.29Å; R277-F280 PolarHBondContact O-N 3.44Å; R277-F281 HydrophobicContact CB-CE2 4.35Å
278	E	84	Confident	91.6	Very high	189 Å²	189	76.5 Å²	76.5	88%	0.883	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	137.3	178.1	-65.3	-175.1	169.1	0	0	111.5	F280	E278-F280 PolarHBondContact O-N 3.27Å
279	G	83.5	Confident	91.5	Very high	62 Å²	62	74 Å²	74	64%	0.639	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-14.9	-179.1	0	0	0	0	0	115.8	F281 S282	G279-F281 VanDerWaalsContact C-N 3.27Å; G279-F281 PolarHBondContact O-N 2.98Å; G279-S282 PolarHBondContact O-N 3.23Å; G279-S282 PolarHBondContact O-OG 3.02Å
280	F	87.6	Confident	91.5	Very high	56 Å²	56	73.9 Å²	73.9	25%	0.246	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.7	-174.3	-173.4	-109.2	0	0	0	114.3	R277 E278 R284 Q454	R277-F280 HydrophobicContact CB-CB 3.43Å; R277-F280 VanDerWaalsContact CB-CB 3.43Å; R277-F280 HydrophobicContact CB-CD1 4.17Å; R277-F280 HydrophobicContact CB-CG 3.89Å; R277-F280 WeakPolarHBondContact O-CB 3.29Å; R277-F280 PolarHBondContact O-N 3.44Å; E278-F280 PolarHBondContact O-N 3.27Å; F280-R284 VanDerWaalsContact CZ-CZ 3.47Å; F280-R284 PolarHBondContact O-NE 3.28Å; F280-Q454 WeakPolarHBondContact CZ-O 3.34Å
281	F	88.6	Confident	91.4	Very high	8 Å²	8	72 Å²	72	4%	0.035	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-6.1	-175.4	-62.1	-77.4	0	0	0	113.7	L273 L276 R277 G279 E283 R284 I286 I453	L273-F281 HydrophobicContact CD1-CE1 4.14Å; L273-F281 HydrophobicContact CD1-CZ 4.18Å; L273-F281 HydrophobicContact CD2-CD1 4.17Å; L273-F281 HydrophobicContact CD2-CE1 4.45Å; L273-F281 HydrophobicContact CD2-CG 4.49Å; L273-F281 HydrophobicContact CG-CD1 4.21Å; L273-F281 HydrophobicContact CG-CD2 4.48Å; L273-F281 HydrophobicContact CG-CE1 4.13Å; L273-F281 HydrophobicContact CG-CE2 4.35Å; L273-F281 HydrophobicContact CG-CG 4.41Å; L273-F281 HydrophobicContact CG-CZ 4.18Å; L273-F281 WeakPolarHBondContact O-CE2 3.39Å; L276-F281 HydrophobicContact CB-CE2 4.22Å; R277-F281 HydrophobicContact CB-CE2 4.35Å; G279-F281 VanDerWaalsContact C-N 3.27Å; G279-F281 PolarHBondContact O-N 2.98Å; F281-E283 VanDerWaalsContact C-N 3.3Å; F281-E283 PolarHBondContact O-N 3.36Å; F281-R284 PolarHBondContact O-N 2.97Å; F281-I286 HydrophobicContact CD1-CD1 3.85Å; F281-I453 HydrophobicContact CE1-CB 4.31Å; F281-I453 HydrophobicContact CE1-CG2 3.79Å; F281-I453 HydrophobicContact CZ-CB 4.33Å; F281-I453 HydrophobicContact CZ-CG2 3.96Å
282	S	84.5	Confident	91.4	Very high	100 Å²	100	64 Å²	64	70%	0.699	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-30.7	-175.8	52.7	0	0	0	0	113.3	G279	G279-S282 PolarHBondContact O-N 3.23Å; G279-S282 PolarHBondContact O-OG 3.02Å
283	E	86.1	Confident	91.2	Very high	177 Å²	177	61.1 Å²	61.1	83%	0.827	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.2	177.7	-62.4	-178	172.7	0	0	112.8	F281	F281-E283 VanDerWaalsContact C-N 3.3Å; F281-E283 PolarHBondContact O-N 3.36Å
284	R	91.3	Very high	91.2	Very high	23 Å²	23	62.4 Å²	62.4	9%	0.087	32%	0.324	C	S	.	.	S	Bend	trans	-81.7	134.5	-178.5	-70	-172.8	-177.8	-129	-21.6	111.2	F280 F281 I286 N452 Q454 P455	F280-R284 VanDerWaalsContact CZ-CZ 3.47Å; F280-R284 PolarHBondContact O-NE 3.28Å; F281-R284 PolarHBondContact O-N 2.97Å; R284-I286 HydrophobicContact CB-CD1 4.08Å; R284-I286 HydrophobicContact CB-CG1 4.12Å; R284-I286 PolarHBondContact O-N 3.2Å; R284-N452 PolarHBondContact NH1-O 3.03Å; R284-Q454 VanDerWaalsContact CZ-O 3.23Å; R284-Q454 PolarHBondContact NH1-O 3.25Å; R284-Q454 PolarHBondContact NH2-O 3.31Å; R284-P455 PolarHBondContact NH2-O 2.89Å
285	L	92.4	Very high	91	Very high	53 Å²	53	62.1 Å²	62.1	28%	0.277	33%	0.331	S	S	.	.			trans	-78.1	67.3	-179.7	-61.2	176.3	0	0	0	112.6	G379 T380 L396 G441	L285-G379 VanDerWaalsContact CD1-C 3.49Å; L285-G379 WeakPolarHBondContact CD1-O 3.42Å; L285-T380 HydrophobicContact CD1-CG2 3.42Å; L285-T380 VanDerWaalsContact CD1-CG2 3.42Å; L285-L396 HydrophobicContact CD1-CD2 3.47Å; L285-L396 VanDerWaalsContact CD1-CD2 3.47Å; L285-L396 HydrophobicContact CD2-CD2 3.45Å; L285-L396 VanDerWaalsContact CD2-CD2 3.45Å; L285-L396 HydrophobicContact CG-CD2 4.1Å; L285-G441 CarbonylContact O-C 3.6Å; L285-G441 VanDerWaalsContact O-CA 3.3Å; L285-G441 WeakPolarHBondContact O-CA 3.36Å
286	I	95.7	Very high	91	Very high	19 Å²	19	61.4 Å²	61.4	10%	0.097	32%	0.322	C	S	.	.			trans	-101	98.4	177.7	-56.6	168.5	0	0	0	108.6	W270 L273 F281 R284 I288 G441 C442 F449 A451	W270-I286 HydrophobicContact CH2-CB 4.24Å; W270-I286 HydrophobicContact CZ3-CB 3.89Å; W270-I286 HydrophobicContact CZ3-CD1 4.27Å; W270-I286 HydrophobicContact CZ3-CG2 3.76Å; L273-I286 HydrophobicContact CD2-CD1 3.83Å; F281-I286 HydrophobicContact CD1-CD1 3.85Å; R284-I286 HydrophobicContact CB-CD1 4.08Å; R284-I286 HydrophobicContact CB-CG1 4.12Å; R284-I286 PolarHBondContact O-N 3.2Å; I286-I288 HydrophobicContact CG2-CG1 4.4Å; I286-G441 WeakPolarHBondContact CG1-O 3.27Å; I286-C442 HydrophobicContact CG2-CB 4.3Å; I286-F449 HydrophobicContact CG2-CE1 4.25Å; I286-F449 HydrophobicContact CG2-CZ 4.15Å; I286-A451 HydrophobicContact CD1-CB 3.83Å; I286-A451 HydrophobicContact CG1-CB 4.25Å; I286-A451 HydrophobicContact CG2-CB 4.05Å
287	K	95.3	Very high	91.2	Very high	57 Å²	57	61.3 Å²	61.3	25%	0.248	33%	0.326	C	S	.	.			trans	-107.8	108.8	-177	-172.5	-175.5	-175.7	73	0	110.5	F289 E340 W342 L378 C442 F449	K287-F289 VanDerWaalsContact CE-O 3.29Å; K287-F289 WeakPolarHBondContact CE-O 3.42Å; K287-F289 WeakPolarHBondContact CG-O 3.42Å; K287-F289 PolarHBondContact NZ-O 2.85Å; K287-E340 WeakPolarHBondContact CE-OE1 3.44Å; K287-E340 IonicContact NZ-OE1 3.54Å; K287-E340 PolarHBondContact NZ-OE1 3.42Å; K287-E340 IonicContact NZ-OE2 2.73Å; K287-E340 PolarHBondContact NZ-OE2 2.89Å; K287-W342 HydrophobicContact CD-CZ2 4.14Å; K287-L378 HydrophobicContact CB-CD1 3.67Å; K287-L378 HydrophobicContact CD-CD1 4.04Å; K287-L378 HydrophobicContact CG-CD1 4.32Å; K287-C442 PolarHBondContact N-SG 3Å; K287-F449 WeakPolarHBondContact O-CE2 3.48Å
288	I	97.1	Very high	91.7	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.067	31%	0.311	C	S	.	.			trans	-91.4	-38.4	-179.2	-55.5	170.3	0	0	0	110.8	V266 W269 W270 I286 F299 V300 F449 M475	V266-I288 HydrophobicContact CG1-CB 4.5Å; V266-I288 HydrophobicContact CG1-CD1 3.76Å; V266-I288 HydrophobicContact CG1-CG2 3.79Å; V266-I288 HydrophobicContact CG2-CG2 4.27Å; W269-I288 HydrophobicContact CE3-CD1 4.02Å; W269-I288 HydrophobicContact CZ3-CD1 3.69Å; W269-I288 HydrophobicContact CZ3-CG1 4.44Å; W270-I288 HydrophobicContact CE3-CD1 3.99Å; I286-I288 HydrophobicContact CG2-CG1 4.4Å; I288-F299 HydrophobicContact CG2-CD2 3.86Å; I288-F299 HydrophobicContact CG2-CE2 3.81Å; I288-F299 WeakPolarHBondContact O-CD2 3.21Å; I288-V300 WeakPolarHBondContact O-CG1 3.22Å; I288-V300 PolarHBondContact O-N 2.9Å; I288-F449 HydrophobicContact CB-CZ 4.4Å; I288-F449 HydrophobicContact CG1-CE1 4.07Å; I288-F449 HydrophobicContact CG1-CE2 4.43Å; I288-F449 HydrophobicContact CG1-CZ 3.73Å; I288-M475 HydrophobicContact CD1-CE 3.81Å; I288-M475 HydrophobicContact CG1-CE 3.99Å; I288-M475 HydrophobicContact CG2-CE 3.78Å
289	F	97.1	Very high	92.3	Very high	62 Å²	62	48.3 Å²	48.3	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.8	-178.7	-61.5	-73.6	0	0	0	111.4	F262 V266 K287 T297 Q298 F299	F262-F289 HydrophobicContact CD1-CE1 4.32Å; F262-F289 HydrophobicContact CD1-CZ 4.41Å; F262-F289 AromaticContact CE1-CE1 3.85Å; F262-F289 HydrophobicContact CE1-CE1 3.85Å; F262-F289 HydrophobicContact CE1-CZ 4.04Å; V266-F289 HydrophobicContact CB-CE2 4.2Å; V266-F289 HydrophobicContact CB-CZ 4.1Å; V266-F289 HydrophobicContact CG1-CE2 3.58Å; V266-F289 HydrophobicContact CG1-CZ 3.96Å; V266-F289 HydrophobicContact CG2-CE2 4.46Å; V266-F289 HydrophobicContact CG2-CZ 3.99Å; K287-F289 VanDerWaalsContact CE-O 3.29Å; K287-F289 WeakPolarHBondContact CE-O 3.42Å; K287-F289 WeakPolarHBondContact CG-O 3.42Å; K287-F289 PolarHBondContact NZ-O 2.85Å; F289-T297 HydrophobicContact CB-CG2 3.63Å; F289-T297 HydrophobicContact CD1-CG2 4.06Å; F289-T297 HydrophobicContact CG-CG2 3.95Å; F289-Q298 CarbonylContact C-O 3.55Å; F289-Q298 VanDerWaalsContact CA-O 3.26Å; F289-Q298 WeakPolarHBondContact CA-O 3.49Å; F289-F299 HydrophobicContact CD1-CB 4.33Å; F289-F299 HydrophobicContact CE1-CB 4.26Å
290	A	95.4	Very high	93	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.8	173.7	0	0	0	0	0	109.9	Q298 V300 W342	A290-Q298 PolarHBondContact N-O 2.94Å; A290-Q298 PolarHBondContact O-N 3.26Å; A290-V300 HydrophobicContact CB-CG1 4.13Å; A290-W342 HydrophobicContact CB-CD2 3.49Å; A290-W342 VanDerWaalsContact CB-CD2 3.49Å; A290-W342 HydrophobicContact CB-CE3 3.93Å; A290-W342 HydrophobicContact CB-CG 3.75Å; A290-W342 HydrophobicContact CB-CH2 4.42Å; A290-W342 HydrophobicContact CB-CZ2 4.02Å; A290-W342 HydrophobicContact CB-CZ3 4.36Å
291	T	94.2	Very high	93.5	Very high	51 Å²	51	42.7 Å²	42.7	31%	0.313	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.4	175.1	-54.7	0	0	0	0	109.2	R296 W342	T291-R296 CarbonylContact C-O 3.51Å; T291-R296 WeakPolarHBondContact CA-O 3.44Å; T291-W342 PolarHBondContact O-N 3.18Å
292	D	94.3	Very high	94	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-76	178.5	177.3	69.7	16	0	0	0	113.2	N294 G295 R296 Q298 F303 W342	D292-N294 PolarHBondContact O-N 3.05Å; D292-N294 VanDerWaalsContact O-N 3.09Å; D292-N294 WeakPolarHBondContact OD1-CA 3.43Å; D292-N294 PolarHBondContact OD1-N 2.66Å; D292-G295 PolarHBondContact O-N 3.01Å; D292-G295 VanDerWaalsContact O-N 3.07Å; D292-G295 PolarHBondContact OD1-N 2.94Å; D292-R296 PolarHBondContact N-O 2.79Å; D292-R296 WeakPolarHBondContact OD1-CB 3.19Å; D292-R296 PolarHBondContact OD1-N 2.88Å; D292-Q298 HydrophobicContact CB-CG 3.77Å; D292-Q298 WeakPolarHBondContact OD2-CG 3.49Å; D292-Q298 PolarHBondContact OD2-NE2 3.22Å; D292-F303 HydrophobicContact CB-CE1 4.45Å; D292-F303 HydrophobicContact CB-CZ 4.12Å; D292-W342 CarbonylContact C-O 3.5Å; D292-W342 VanDerWaalsContact C-O 3.29Å; D292-W342 WeakPolarHBondContact CA-O 3.17Å
293	E	92.2	Very high	94.6	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.014	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.8	179.3	71.9	-89.3	-158.2	0	0	114.2	L148 S151 A185 R341 W342 C343 S344 A347	L148-E293 HydrophobicContact CD2-CB 3.93Å; L148-E293 HydrophobicContact CD2-CG 4.13Å; S151-E293 VanDerWaalsContact CB-OE1 3.29Å; S151-E293 WeakPolarHBondContact CB-OE1 3.41Å; S151-E293 PolarHBondContact OG-OE1 2.83Å; A185-E293 WeakPolarHBondContact CA-O 3.44Å; E293-R341 HydrophobicContact CB-CG 4.46Å; E293-W342 PolarHBondContact N-O 2.72Å; E293-C343 WeakPolarHBondContact OE2-CA 3.35Å; E293-S344 VanDerWaalsContact OE1-CB 3.28Å; E293-S344 WeakPolarHBondContact OE1-CB 3.3Å; E293-S344 PolarHBondContact OE1-OG 2.94Å; E293-S344 PolarHBondContact OE2-N 3.36Å; E293-A347 HydrophobicContact CG-CB 4.44Å
294	N	91.9	Very high	95.2	Very high	27 Å²	27	29.7 Å²	29.7	14%	0.144	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	12.6	179.4	-67.5	-37.8	0	0	0	112.3	S151 D292 R296	S151-N294 VanDerWaalsContact O-CG 3.31Å; S151-N294 PolarHBondContact O-ND2 3.35Å; S151-N294 PolarHBondContact O-OD1 2.71Å; D292-N294 PolarHBondContact O-N 3.05Å; D292-N294 VanDerWaalsContact O-N 3.09Å; D292-N294 WeakPolarHBondContact OD1-CA 3.43Å; D292-N294 PolarHBondContact OD1-N 2.66Å; N294-R296 VanDerWaalsContact C-N 3.28Å; N294-R296 HydrophobicContact CB-CG 4.47Å; N294-R296 PolarHBondContact O-N 3.48Å
295	G	90.3	Very high	95.5	Very high	44 Å²	44	30.4 Å²	30.4	45%	0.454	16%	0.162	S	C	.	.	S	Bend	trans	75.5	11.8	178.5	0	0	0	0	0	114.4	D292	D292-G295 PolarHBondContact O-N 3.01Å; D292-G295 VanDerWaalsContact O-N 3.07Å; D292-G295 PolarHBondContact OD1-N 2.94Å
296	R	92.4	Very high	95.8	Very high	123 Å²	123	30.3 Å²	30.3	46%	0.464	16%	0.164	S	C	.	.			trans	-93.4	141.5	-178.6	-56.6	174.5	178.3	-174.6	-4.4	110.5	T291 D292 N294 Q298	T291-R296 CarbonylContact C-O 3.51Å; T291-R296 WeakPolarHBondContact CA-O 3.44Å; D292-R296 PolarHBondContact N-O 2.79Å; D292-R296 WeakPolarHBondContact OD1-CB 3.19Å; D292-R296 PolarHBondContact OD1-N 2.88Å; N294-R296 VanDerWaalsContact C-N 3.28Å; N294-R296 HydrophobicContact CB-CG 4.47Å; N294-R296 PolarHBondContact O-N 3.48Å; R296-Q298 PolarHBondContact O-N 3.32Å
297	T	94.8	Very high	95.8	Very high	96 Å²	96	29.6 Å²	29.6	59%	0.589	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75	120.6	174.1	-53.6	0	0	0	0	110.1	F289	F289-T297 HydrophobicContact CB-CG2 3.63Å; F289-T297 HydrophobicContact CD1-CG2 4.06Å; F289-T297 HydrophobicContact CG-CG2 3.95Å
298	Q	96.1	Very high	95.7	Very high	31 Å²	31	31 Å²	31	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.3	-177.4	-61.5	-64.4	-10.2	0	0	110.9	F289 A290 D292 R296 F303 L489	F289-Q298 CarbonylContact C-O 3.55Å; F289-Q298 VanDerWaalsContact CA-O 3.26Å; F289-Q298 WeakPolarHBondContact CA-O 3.49Å; A290-Q298 PolarHBondContact N-O 2.94Å; A290-Q298 PolarHBondContact O-N 3.26Å; D292-Q298 HydrophobicContact CB-CG 3.77Å; D292-Q298 WeakPolarHBondContact OD2-CG 3.49Å; D292-Q298 PolarHBondContact OD2-NE2 3.22Å; R296-Q298 PolarHBondContact O-N 3.32Å; Q298-F303 HydrophobicContact CB-CE2 3.66Å; Q298-F303 HydrophobicContact CB-CZ 3.88Å; Q298-F303 HydrophobicContact CG-CE2 4.47Å; Q298-F303 HydrophobicContact CG-CZ 4.22Å; Q298-L489 HydrophobicContact CB-CD1 3.73Å; Q298-L489 HydrophobicContact CG-CD1 3.53Å
299	F	98	Very high	95.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.2	170.8	178.9	-134.2	0	0	0	110.3	F262 I288 F289 C301 N302 F449 M475 I480 V483	F262-F299 HydrophobicContact CE1-CB 3.89Å; F262-F299 HydrophobicContact CE1-CD1 4.12Å; F262-F299 AromaticContact CE1-CD2 3.93Å; F262-F299 HydrophobicContact CE1-CD2 3.93Å; F262-F299 AromaticContact CE1-CG 3.72Å; F262-F299 HydrophobicContact CE1-CG 3.72Å; F262-F299 HydrophobicContact CE2-CD1 4.41Å; F262-F299 HydrophobicContact CE2-CE1 4.33Å; F262-F299 HydrophobicContact CZ-CB 4.26Å; F262-F299 AromaticContact CZ-CD1 3.62Å; F262-F299 HydrophobicContact CZ-CD1 3.62Å; F262-F299 AromaticContact CZ-CD2 3.71Å; F262-F299 HydrophobicContact CZ-CD2 3.71Å; F262-F299 AromaticContact CZ-CE1 3.75Å; F262-F299 HydrophobicContact CZ-CE1 3.75Å; F262-F299 AromaticContact CZ-CE2 3.92Å; F262-F299 HydrophobicContact CZ-CE2 3.92Å; F262-F299 AromaticContact CZ-CG 3.6Å; F262-F299 HydrophobicContact CZ-CG 3.6Å; F262-F299 AromaticContact CZ-CZ 3.92Å; F262-F299 HydrophobicContact CZ-CZ 3.92Å; I288-F299 HydrophobicContact CG2-CD2 3.86Å; I288-F299 HydrophobicContact CG2-CE2 3.81Å; I288-F299 WeakPolarHBondContact O-CD2 3.21Å; F289-F299 HydrophobicContact CD1-CB 4.33Å; F289-F299 HydrophobicContact CE1-CB 4.26Å; F299-C301 VanDerWaalsContact C-N 3.27Å; F299-C301 HydrophobicContact CD1-CB 3.7Å; F299-C301 HydrophobicContact CE1-CB 3.31Å; F299-C301 WeakPolarHBondContact CE1-SG 3.25Å; F299-C301 HydrophobicContact CZ-CB 3.83Å; F299-C301 WeakPolarHBondContact CZ-SG 3.41Å; F299-C301 PolarHBondContact O-N 3.17Å; F299-N302 WeakPolarHBondContact O-CB 3.42Å; F299-N302 PolarHBondContact O-N 3.4Å; F299-F449 HydrophobicContact CE2-CD2 4.1Å; F299-F449 HydrophobicContact CZ-CB 4.23Å; F299-F449 HydrophobicContact CZ-CD2 4.36Å; F299-M475 HydrophobicContact CE2-SD 4.22Å; F299-M475 HydrophobicContact CZ-SD 4.18Å; F299-I480 HydrophobicContact CE1-CB 4.47Å; F299-I480 HydrophobicContact CE1-CG1 4.05Å; F299-I480 HydrophobicContact CE1-CG2 4.11Å; F299-I480 HydrophobicContact CZ-CG1 4.14Å; F299-V483 HydrophobicContact CD1-CG2 3.96Å
300	V	98.2	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60	-32.3	-171.6	-66	0	0	0	0	114	I288 A290 N302 F303 W342 Y444 F449	I288-V300 WeakPolarHBondContact O-CG1 3.22Å; I288-V300 PolarHBondContact O-N 2.9Å; A290-V300 HydrophobicContact CB-CG1 4.13Å; V300-N302 PolarHBondContact O-N 3.2Å; V300-F303 PolarHBondContact O-N 3.46Å; V300-W342 HydrophobicContact CB-CH2 4.24Å; V300-W342 HydrophobicContact CB-CZ3 4.1Å; V300-W342 HydrophobicContact CG1-CH2 3.77Å; V300-W342 HydrophobicContact CG1-CZ2 4.46Å; V300-W342 HydrophobicContact CG1-CZ3 3.94Å; V300-Y444 HydrophobicContact CB-CD1 4.34Å; V300-Y444 HydrophobicContact CB-CD2 4.22Å; V300-Y444 HydrophobicContact CB-CE1 4.09Å; V300-Y444 HydrophobicContact CB-CE2 3.97Å; V300-Y444 HydrophobicContact CB-CG 4.41Å; V300-Y444 HydrophobicContact CG2-CD1 3.78Å; V300-Y444 HydrophobicContact CG2-CD2 3.93Å; V300-Y444 HydrophobicContact CG2-CE1 4.03Å; V300-Y444 HydrophobicContact CG2-CE2 4.19Å; V300-Y444 HydrophobicContact CG2-CG 3.73Å; V300-Y444 WeakPolarHBondContact O-CE2 3.35Å; V300-F449 HydrophobicContact CG2-CD2 3.9Å; V300-F449 HydrophobicContact CG2-CE2 3.72Å
301	C	98.4	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.1	176.3	-61.4	0	0	0	0	112.9	F299 F303 V304 N445 H484	F299-C301 VanDerWaalsContact C-N 3.27Å; F299-C301 HydrophobicContact CD1-CB 3.7Å; F299-C301 HydrophobicContact CE1-CB 3.31Å; F299-C301 WeakPolarHBondContact CE1-SG 3.25Å; F299-C301 HydrophobicContact CZ-CB 3.83Å; F299-C301 WeakPolarHBondContact CZ-SG 3.41Å; F299-C301 PolarHBondContact O-N 3.17Å; C301-F303 PolarHBondContact O-N 3.1Å; C301-V304 PolarHBondContact O-N 2.77Å; C301-V304 VanDerWaalsContact O-N 3.13Å; C301-N445 WeakPolarHBondContact CB-O 3.49Å; C301-N445 PolarHBondContact SG-O 3.36Å; C301-H484 PolarHBondContact O-CD2 3.04Å; C301-H484 VanDerWaalsContact O-CD2 3.27Å
302	N	97.7	Very high	94.1	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17.5	-178.3	-71.9	-6.4	0	0	0	112.9	F299 V300 H484 S487 L489 Y490	F299-N302 WeakPolarHBondContact O-CB 3.42Å; F299-N302 PolarHBondContact O-N 3.4Å; V300-N302 PolarHBondContact O-N 3.2Å; N302-H484 WeakPolarHBondContact OD1-CA 3.46Å; N302-S487 WeakPolarHBondContact CB-OG 3.31Å; N302-S487 PolarHBondContact O-OG 3.16Å; N302-L489 HydrophobicContact CB-CD1 3.83Å; N302-Y490 WeakPolarHBondContact O-CD1 3.46Å; N302-Y490 PolarHBondContact O-N 2.86Å
303	F	98.3	Very high	94	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.035	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-85.2	-10.9	177.2	-65.3	-90.6	0	0	0	113.6	D292 Q298 V300 C301 W342 N361 L489	D292-F303 HydrophobicContact CB-CE1 4.45Å; D292-F303 HydrophobicContact CB-CZ 4.12Å; Q298-F303 HydrophobicContact CB-CE2 3.66Å; Q298-F303 HydrophobicContact CB-CZ 3.88Å; Q298-F303 HydrophobicContact CG-CE2 4.47Å; Q298-F303 HydrophobicContact CG-CZ 4.22Å; V300-F303 PolarHBondContact O-N 3.46Å; C301-F303 PolarHBondContact O-N 3.1Å; F303-W342 HydrophobicContact CD1-CB 4.46Å; F303-W342 HydrophobicContact CD1-CE3 4.43Å; F303-W342 AromaticContact CD2-CE3 3.75Å; F303-W342 HydrophobicContact CD2-CE3 3.75Å; F303-W342 HydrophobicContact CD2-CZ3 4.19Å; F303-W342 HydrophobicContact CE1-CB 3.74Å; F303-W342 HydrophobicContact CE2-CB 4.41Å; F303-W342 AromaticContact CE2-CE3 3.87Å; F303-W342 HydrophobicContact CE2-CE3 3.87Å; F303-W342 HydrophobicContact CG-CE3 4.04Å; F303-W342 HydrophobicContact CZ-CB 3.71Å; F303-W342 HydrophobicContact CZ-CE3 4.27Å; F303-N361 HydrophobicContact CB-CB 4.25Å; F303-L489 HydrophobicContact CD1-CB 4.12Å; F303-L489 HydrophobicContact CD1-CD1 4.3Å; F303-L489 HydrophobicContact CD2-CD1 4.26Å; F303-L489 HydrophobicContact CE1-CB 4.33Å; F303-L489 HydrophobicContact CE1-CD1 3.96Å; F303-L489 HydrophobicContact CE2-CD1 3.94Å; F303-L489 HydrophobicContact CG-CD1 4.44Å; F303-L489 HydrophobicContact CZ-CD1 3.78Å
304	V	98.4	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.			trans	-114.7	134.3	-175.5	-179.9	0	0	0	0	110	C301 N361 C364 L368 V376 Y444 N445 N446 H484	C301-V304 PolarHBondContact O-N 2.77Å; C301-V304 VanDerWaalsContact O-N 3.13Å; V304-N361 HydrophobicContact CG2-CB 4.07Å; V304-N361 WeakPolarHBondContact CG2-OD1 3.38Å; V304-C364 HydrophobicContact CG1-CB 4.33Å; V304-L368 HydrophobicContact CG1-CD1 3.58Å; V304-V376 HydrophobicContact CG2-CG2 4.14Å; V304-Y444 HydrophobicContact CG2-CD2 4.39Å; V304-Y444 HydrophobicContact CG2-CE2 3.83Å; V304-N445 HydrophobicContact CG1-CB 4.39Å; V304-N446 HydrophobicContact CG1-CB 4.45Å; V304-N446 WeakPolarHBondContact O-CB 3.28Å; V304-H484 PolarHBondContact O-NE2 3.44Å
305	N	97.5	Very high	94.1	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	26%	0.255	C	S	.	.			trans	-155.8	144.4	170	-170.7	69.2	0	0	0	109.6	L307 S365 H484 Y490	N305-L307 PolarHBondContact O-N 2.92Å; N305-L307 VanDerWaalsContact O-N 3.17Å; N305-S365 PolarHBondContact N-OG 2.91Å; N305-S365 WeakPolarHBondContact O-CA 3.5Å; N305-S365 WeakPolarHBondContact O-CB 3.26Å; N305-S365 PolarHBondContact O-OG 3.06Å; N305-H484 PolarHBondContact OD1-CE1 2.89Å; N305-Y490 HydrophobicContact CB-CD1 3.76Å; N305-Y490 HydrophobicContact CB-CD2 3.41Å; N305-Y490 VanDerWaalsContact CB-CD2 3.41Å; N305-Y490 HydrophobicContact CB-CE1 4.19Å; N305-Y490 HydrophobicContact CB-CE2 3.87Å; N305-Y490 HydrophobicContact CB-CG 3.35Å
306	P	97.7	Very high	94.3	Very high	51 Å²	51	45.1 Å²	45.1	33%	0.331	24%	0.243	S	C	.	.			trans	-52.1	124.6	175.4	-24.9	32.4	0	0	0	111.8	L368	P306-L368 HydrophobicContact CB-CB 4.04Å; P306-L368 HydrophobicContact CG-CB 4.01Å
307	L	96.3	Very high	94.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.241	C	C	.	.			trans	-120.8	95.2	-177.7	178.2	60.1	0	0	0	110	N305 V309 L362 S365 L366 L491 R492	N305-L307 PolarHBondContact O-N 2.92Å; N305-L307 VanDerWaalsContact O-N 3.17Å; L307-V309 HydrophobicContact CD1-CG1 4.09Å; L307-V309 HydrophobicContact CD2-CG1 4.45Å; L307-V309 HydrophobicContact CG-CG1 3.86Å; L307-V309 PolarHBondContact O-N 2.95Å; L307-L362 HydrophobicContact CD2-CD1 4.14Å; L307-S365 PolarHBondContact N-O 3.39Å; L307-L366 HydrophobicContact CB-CD2 4.48Å; L307-L366 HydrophobicContact CD2-CD2 3.78Å; L307-L366 HydrophobicContact CD2-CG 4.41Å; L307-L366 HydrophobicContact CG-CD2 4.12Å; L307-L491 HydrophobicContact CD2-CB 4.37Å; L307-L491 HydrophobicContact CD2-CD2 3.87Å; L307-L491 HydrophobicContact CD2-CG 4.26Å; L307-R492 WeakPolarHBondContact CD1-O 3.27Å
308	S	94	Very high	94.3	Very high	85 Å²	85	41.6 Å²	41.6	59%	0.594	22%	0.222	S	C	*	.			trans	-79.5	107.4	-177.1	-60.1	0	0	0	0	112.1	G369	S308-G369 PolarHBondContact OG-O 2.95Å
309	V	89.5	Confident	94.3	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	22%	0.215	C	C	.	.			trans	-132.5	27	-175.7	-65	0	0	0	0	113.3	L307 H311 I312 L313 L366 L494	L307-V309 HydrophobicContact CD1-CG1 4.09Å; L307-V309 HydrophobicContact CD2-CG1 4.45Å; L307-V309 HydrophobicContact CG-CG1 3.86Å; L307-V309 PolarHBondContact O-N 2.95Å; V309-H311 PolarHBondContact O-N 2.89Å; V309-I312 PolarHBondContact O-N 3.39Å; V309-L313 HydrophobicContact CG2-CB 4.28Å; V309-L313 HydrophobicContact CG2-CD1 3.94Å; V309-L313 HydrophobicContact CG2-CG 4.36Å; V309-L313 PolarHBondContact O-N 2.85Å; V309-L366 HydrophobicContact CG1-CD2 4.49Å; V309-L366 HydrophobicContact CG2-CD2 3.31Å; V309-L494 HydrophobicContact CB-CD2 4.41Å; V309-L494 HydrophobicContact CG1-CB 3.63Å; V309-L494 HydrophobicContact CG1-CD2 4.17Å; V309-L494 HydrophobicContact CG2-CD2 4.38Å
310	S	82.6	Confident	94.2	Very high	78 Å²	78	40 Å²	40	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.3	-176.9	53.1	0	0	0	0	114.9	L313	S310-L313 WeakPolarHBondContact CA-O 3.21Å
311	H	87.9	Confident	94.1	Very high	150 Å²	150	40.2 Å²	40.2	69%	0.694	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.8	176.6	64.6	-75.4	0	0	0	114	V309	V309-H311 PolarHBondContact O-N 2.89Å
312	I	89.3	Confident	93.9	Very high	32 Å²	32	40.2 Å²	40.2	16%	0.164	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-44	178.1	-57.7	170.9	0	0	0	109.9	V309 L494 P496 A639	V309-I312 PolarHBondContact O-N 3.39Å; I312-L494 WeakPolarHBondContact CD1-O 3.49Å; I312-P496 HydrophobicContact CD1-CB 4.34Å; I312-P496 HydrophobicContact CG1-CB 4.32Å; I312-P496 HydrophobicContact CG2-CB 4.48Å; I312-A639 HydrophobicContact CG2-CB 3.85Å
313	L	92.7	Very high	93.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-117	106.1	-179.7	-57.3	173.4	0	0	0	106.5	V309 S310 T315 I318 A319 F322 L366 Y370 L494 A639	V309-L313 HydrophobicContact CG2-CB 4.28Å; V309-L313 HydrophobicContact CG2-CD1 3.94Å; V309-L313 HydrophobicContact CG2-CG 4.36Å; V309-L313 PolarHBondContact O-N 2.85Å; S310-L313 WeakPolarHBondContact CA-O 3.21Å; L313-T315 PolarHBondContact O-N 2.65Å; L313-I318 HydrophobicContact CB-CG2 4.29Å; L313-I318 HydrophobicContact CD2-CG2 3.87Å; L313-A319 HydrophobicContact CB-CB 4.46Å; L313-A319 HydrophobicContact CD1-CB 4.2Å; L313-F322 HydrophobicContact CD1-CB 4.22Å; L313-F322 HydrophobicContact CD1-CD1 3.58Å; L313-F322 HydrophobicContact CD1-CE1 4.29Å; L313-F322 HydrophobicContact CD1-CG 4.08Å; L313-F322 HydrophobicContact CD2-CB 3.94Å; L313-F322 HydrophobicContact CD2-CG 4.27Å; L313-L366 HydrophobicContact CD1-CD2 4.26Å; L313-Y370 VanDerWaalsContact C-OH 3.32Å; L313-Y370 WeakPolarHBondContact CB-OH 2.76Å; L313-Y370 PolarHBondContact O-OH 3.29Å; L313-L494 HydrophobicContact CD1-CD2 3.69Å; L313-L494 HydrophobicContact CG-CD2 4.41Å; L313-A639 HydrophobicContact CD2-CB 4.39Å
314	E	92	Very high	93.7	Very high	153 Å²	153	39.8 Å²	39.8	72%	0.715	21%	0.214	S	C	*	.			trans	-70.5	-32.4	-168.6	-62.6	174.4	-174.4	0	0	113	I318	E314-I318 HydrophobicContact CB-CD1 4.07Å
315	T	93.9	Very high	93.5	Very high	52 Å²	52	39.9 Å²	39.9	32%	0.319	22%	0.215	S	C	.	.	S	Bend	trans	-134.3	156.2	-174.4	71.8	0	0	0	0	112.5	L313 Y317 I318 A319 Y370	L313-T315 PolarHBondContact O-N 2.65Å; T315-Y317 PolarHBondContact O-N 3.08Å; T315-I318 HydrophobicContact CG2-CD1 4.3Å; T315-I318 WeakPolarHBondContact O-CB 3.34Å; T315-I318 PolarHBondContact O-N 2.66Å; T315-I318 WeakPolarHBondContact OG1-CG1 3.44Å; T315-I318 PolarHBondContact OG1-N 3.41Å; T315-A319 PolarHBondContact O-N 3.38Å; T315-Y370 PolarHBondContact O-OH 2.95Å
316	P	94.5	Very high	93.3	Very high	31 Å²	31	38.2 Å²	38.2	20%	0.201	21%	0.206	C	C	.	.	H	α-helix	trans	-52.9	-36.2	172.1	-30.1	37.1	0	0	0	114.1	A319 A320 L367 Y370 I372 W413	P316-A319 WeakPolarHBondContact O-CB 3.42Å; P316-A319 PolarHBondContact O-N 3.25Å; P316-A320 PolarHBondContact O-N 3.37Å; P316-L367 HydrophobicContact CB-CD2 3.67Å; P316-Y370 HydrophobicContact CG-CD1 4.49Å; P316-Y370 HydrophobicContact CG-CD2 4.21Å; P316-Y370 HydrophobicContact CG-CG 4.18Å; P316-I372 HydrophobicContact CB-CD1 4.02Å; P316-I372 HydrophobicContact CG-CD1 3.53Å; P316-W413 HydrophobicContact CB-CH2 4.11Å
317	Y	94.1	Very high	93.1	Very high	107 Å²	107	37.5 Å²	37.5	42%	0.42	20%	0.201	S	C	.	.	H	α-helix	trans	-68.2	-39.2	176.6	-64.9	-79.2	0	0	0	112.2	T315 A319 A320 R321 W413 K554	T315-Y317 PolarHBondContact O-N 3.08Å; Y317-A319 VanDerWaalsContact C-N 3.3Å; Y317-A320 PolarHBondContact O-N 2.98Å; Y317-R321 WeakPolarHBondContact O-CB 3.44Å; Y317-R321 PolarHBondContact O-N 2.9Å; Y317-W413 AromaticContact CD1-CH2 3.68Å; Y317-W413 HydrophobicContact CD1-CH2 3.68Å; Y317-W413 HydrophobicContact CD1-CZ3 4.03Å; Y317-W413 AromaticContact CE1-CH2 3.65Å; Y317-W413 HydrophobicContact CE1-CH2 3.65Å; Y317-W413 HydrophobicContact CE1-CZ2 4.24Å; Y317-W413 HydrophobicContact CE1-CZ3 4.34Å; Y317-W413 HydrophobicContact CG-CH2 4.15Å; Y317-K554 WeakPolarHBondContact CD1-O 3.29Å
318	I	93.9	Very high	92.8	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.195	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-37.3	172.9	-68	166.8	0	0	0	110.1	L313 E314 T315 R321 F322 Y638	L313-I318 HydrophobicContact CB-CG2 4.29Å; L313-I318 HydrophobicContact CD2-CG2 3.87Å; E314-I318 HydrophobicContact CB-CD1 4.07Å; T315-I318 HydrophobicContact CG2-CD1 4.3Å; T315-I318 WeakPolarHBondContact O-CB 3.34Å; T315-I318 PolarHBondContact O-N 2.66Å; T315-I318 WeakPolarHBondContact OG1-CG1 3.44Å; T315-I318 PolarHBondContact OG1-N 3.41Å; I318-R321 PolarHBondContact O-N 3.34Å; I318-F322 WeakPolarHBondContact O-CB 3.49Å; I318-F322 PolarHBondContact O-N 3.15Å; I318-Y638 HydrophobicContact CG2-CE1 4.35Å
319	A	95.7	Very high	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-46.2	175.4	0	0	0	0	0	112.6	L313 T315 P316 Y317 R321 F322 V323 L366 Y370	L313-A319 HydrophobicContact CB-CB 4.46Å; L313-A319 HydrophobicContact CD1-CB 4.2Å; T315-A319 PolarHBondContact O-N 3.38Å; P316-A319 WeakPolarHBondContact O-CB 3.42Å; P316-A319 PolarHBondContact O-N 3.25Å; Y317-A319 VanDerWaalsContact C-N 3.3Å; A319-R321 VanDerWaalsContact C-N 3.32Å; A319-R321 PolarHBondContact O-N 3.43Å; A319-F322 WeakPolarHBondContact O-CB 3.45Å; A319-F322 PolarHBondContact O-N 3.44Å; A319-V323 WeakPolarHBondContact O-CG2 3.33Å; A319-V323 PolarHBondContact O-N 2.86Å; A319-L366 HydrophobicContact CB-CB 4.28Å; A319-L366 HydrophobicContact CB-CD1 4.23Å; A319-Y370 HydrophobicContact CB-CE2 3.89Å
320	A	95.9	Very high	92.3	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-40.4	173.9	0	0	0	0	0	112.4	P316 Y317 F322 V323 S324 L363 W413	P316-A320 PolarHBondContact O-N 3.37Å; Y317-A320 PolarHBondContact O-N 2.98Å; A320-F322 VanDerWaalsContact C-N 3.34Å; A320-V323 PolarHBondContact O-N 3.23Å; A320-S324 PolarHBondContact O-N 3.45Å; A320-S324 PolarHBondContact O-OG 2.95Å; A320-L363 HydrophobicContact CB-CD1 3.96Å; A320-L363 HydrophobicContact CB-CD2 4.39Å; A320-W413 HydrophobicContact CB-CE3 3.55Å; A320-W413 HydrophobicContact CB-CZ3 3.54Å
321	R	95	Very high	92.3	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-35.3	175.6	-175	57.1	174.2	167.4	1.1	113	Y317 I318 A319 S324 S325 E550 K554 Y638 I644	Y317-R321 WeakPolarHBondContact O-CB 3.44Å; Y317-R321 PolarHBondContact O-N 2.9Å; I318-R321 PolarHBondContact O-N 3.34Å; A319-R321 VanDerWaalsContact C-N 3.32Å; A319-R321 PolarHBondContact O-N 3.43Å; R321-S324 WeakPolarHBondContact CA-OG 3.44Å; R321-S324 PolarHBondContact O-OG 3.03Å; R321-S325 PolarHBondContact O-N 3.45Å; R321-E550 IonicContact CZ-OE1 2.62Å; R321-E550 IonicContact CZ-OE2 3.37Å; R321-E550 IonicContact NE-OE1 3.91Å; R321-E550 PolarHBondContact NE-OE1 3.38Å; R321-E550 IonicContact NE-OE2 3.39Å; R321-E550 IonicContact NH2-OE1 3.57Å; R321-E550 IonicContact NH2-OE2 3.22Å; R321-E550 PolarHBondContact NH2-OE2 3.46Å; R321-K554 HydrophobicContact CB-CG 4.33Å; R321-K554 HydrophobicContact CG-CG 4.29Å; R321-Y638 HydrophobicContact CG-CE1 4.19Å; R321-Y638 VanDerWaalsContact CG-OH 3.31Å; R321-Y638 WeakPolarHBondContact CG-OH 3.38Å; R321-I644 VanDerWaalsContact NH2-CD1 3.34Å
322	F	95.4	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-49.7	171.7	155.6	-114.9	0	0	0	110.8	L313 I318 A319 A320 S324 S325 I326 L362 L366 L494 Y638 A639 E640 A642	L313-F322 HydrophobicContact CD1-CB 4.22Å; L313-F322 HydrophobicContact CD1-CD1 3.58Å; L313-F322 HydrophobicContact CD1-CE1 4.29Å; L313-F322 HydrophobicContact CD1-CG 4.08Å; L313-F322 HydrophobicContact CD2-CB 3.94Å; L313-F322 HydrophobicContact CD2-CG 4.27Å; I318-F322 WeakPolarHBondContact O-CB 3.49Å; I318-F322 PolarHBondContact O-N 3.15Å; A319-F322 WeakPolarHBondContact O-CB 3.45Å; A319-F322 PolarHBondContact O-N 3.44Å; A320-F322 VanDerWaalsContact C-N 3.34Å; F322-S324 VanDerWaalsContact C-N 3.31Å; F322-S324 PolarHBondContact O-N 2.95Å; F322-S325 VanDerWaalsContact O-CB 3.31Å; F322-S325 WeakPolarHBondContact O-CB 3.13Å; F322-S325 PolarHBondContact O-N 3.34Å; F322-S325 PolarHBondContact O-OG 3.4Å; F322-I326 HydrophobicContact CE2-CD1 4.23Å; F322-I326 HydrophobicContact CE2-CG1 4.46Å; F322-I326 HydrophobicContact CZ-CD1 4.06Å; F322-L362 HydrophobicContact CE1-CD2 4.08Å; F322-L362 HydrophobicContact CZ-CD2 4.42Å; F322-L366 HydrophobicContact CD1-CD1 4.05Å; F322-L366 HydrophobicContact CE1-CD1 4.19Å; F322-L494 HydrophobicContact CD1-CD2 4.4Å; F322-L494 HydrophobicContact CE1-CD1 3.93Å; F322-L494 HydrophobicContact CE1-CD2 3.85Å; F322-L494 HydrophobicContact CZ-CD1 3.85Å; F322-L494 HydrophobicContact CZ-CD2 4.24Å; F322-Y638 HydrophobicContact CB-CD1 3.93Å; F322-Y638 HydrophobicContact CB-CG 4.15Å; F322-Y638 HydrophobicContact CD2-CG 4.43Å; F322-A639 HydrophobicContact CD2-CB 4.1Å; F322-A639 HydrophobicContact CE1-CB 4.42Å; F322-A639 HydrophobicContact CE2-CB 3.86Å; F322-A639 WeakPolarHBondContact CE2-O 3.4Å; F322-A639 HydrophobicContact CG-CB 4.48Å; F322-A639 HydrophobicContact CZ-CB 4.04Å; F322-E640 HydrophobicContact CE2-CB 4.34Å; F322-E640 HydrophobicContact CE2-CG 4.19Å; F322-E640 HydrophobicContact CZ-CG 3.88Å; F322-A642 HydrophobicContact CD2-CB 4.14Å; F322-A642 HydrophobicContact CE2-CB 3.94Å
323	V	97	Very high	90.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-42	-179.4	178.5	0	0	0	0	111	A319 A320 S325 I326 H359 L362 L363 L366	A319-V323 WeakPolarHBondContact O-CG2 3.33Å; A319-V323 PolarHBondContact O-N 2.86Å; A320-V323 PolarHBondContact O-N 3.23Å; V323-S325 PolarHBondContact O-N 3.21Å; V323-I326 WeakPolarHBondContact O-CB 3.43Å; V323-I326 PolarHBondContact O-N 3.06Å; V323-I326 VanDerWaalsContact O-N 3.07Å; V323-H359 HydrophobicContact CG1-CB 3.96Å; V323-L362 HydrophobicContact CG2-CD2 4.06Å; V323-L362 HydrophobicContact CG2-CG 4.06Å; V323-L363 HydrophobicContact CB-CB 4.5Å; V323-L363 HydrophobicContact CG1-CB 4.32Å; V323-L363 HydrophobicContact CG2-CB 4.17Å; V323-L363 HydrophobicContact CG2-CD1 4.34Å; V323-L366 HydrophobicContact CG2-CD1 3.56Å
324	S	95.1	Very high	89.9	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.1	176.1	67.5	0	0	0	0	114.8	A320 R321 F322 I326 S415 I416 G418 F599	A320-S324 PolarHBondContact O-N 3.45Å; A320-S324 PolarHBondContact O-OG 2.95Å; R321-S324 WeakPolarHBondContact CA-OG 3.44Å; R321-S324 PolarHBondContact O-OG 3.03Å; F322-S324 VanDerWaalsContact C-N 3.31Å; F322-S324 PolarHBondContact O-N 2.95Å; S324-I326 VanDerWaalsContact C-N 3.32Å; S324-S415 WeakPolarHBondContact CA-O 2.93Å; S324-S415 PolarHBondContact N-O 3.28Å; S324-I416 WeakPolarHBondContact CB-O 3.4Å; S324-G418 VanDerWaalsContact CB-N 3.32Å; S324-F599 VanDerWaalsContact O-CE1 3.29Å; S324-F599 WeakPolarHBondContact O-CE1 3.29Å
325	S	93.4	Very high	88.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.007	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.5	170.5	79.7	0	0	0	0	112.8	R321 F322 V323 P327 F599 A642	R321-S325 PolarHBondContact O-N 3.45Å; F322-S325 VanDerWaalsContact O-CB 3.31Å; F322-S325 WeakPolarHBondContact O-CB 3.13Å; F322-S325 PolarHBondContact O-N 3.34Å; F322-S325 PolarHBondContact O-OG 3.4Å; V323-S325 PolarHBondContact O-N 3.21Å; S325-P327 WeakPolarHBondContact O-CD 3Å; S325-F599 WeakPolarHBondContact O-CD1 3.38Å; S325-A642 WeakPolarHBondContact OG-CB 3.47Å
326	I	94.5	Very high	87.4	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.015	24%	0.236	C	C	.	.	S	Bend	trans	-76.9	126.9	173.2	-57	175	0	0	0	107.7	F322 V323 S324 Y328 F348 H359 L362 A642	F322-I326 HydrophobicContact CE2-CD1 4.23Å; F322-I326 HydrophobicContact CE2-CG1 4.46Å; F322-I326 HydrophobicContact CZ-CD1 4.06Å; V323-I326 WeakPolarHBondContact O-CB 3.43Å; V323-I326 PolarHBondContact O-N 3.06Å; V323-I326 VanDerWaalsContact O-N 3.07Å; S324-I326 VanDerWaalsContact C-N 3.32Å; I326-Y328 PolarHBondContact O-N 2.58Å; I326-F348 HydrophobicContact CB-CZ 4.32Å; I326-F348 HydrophobicContact CD1-CE1 4.04Å; I326-F348 HydrophobicContact CD1-CZ 3.96Å; I326-F348 HydrophobicContact CG2-CE2 3.76Å; I326-F348 HydrophobicContact CG2-CZ 3.81Å; I326-H359 PolarHBondContact O-NE2 2.91Å; I326-H359 VanDerWaalsContact O-NE2 3.1Å; I326-L362 HydrophobicContact CD1-CD2 4.03Å; I326-A642 HydrophobicContact CG1-CB 4.39Å
327	P	91.9	Very high	86.1	Confident	36 Å²	36	42.2 Å²	42.2	23%	0.234	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.6	129	177.1	-27.3	33.3	0	0	0	113.8	S325 E329 N352 C353 G354 F599	S325-P327 WeakPolarHBondContact O-CD 3Å; P327-E329 PolarHBondContact O-N 2.73Å; P327-N352 WeakPolarHBondContact CD-O 3.31Å; P327-C353 VanDerWaalsContact O-CA 3.32Å; P327-C353 WeakPolarHBondContact O-CA 3.39Å; P327-G354 PolarHBondContact O-N 3.5Å; P327-F599 HydrophobicContact CG-CB 3.98Å
328	Y	91.3	Very high	84.8	Confident	59 Å²	59	41.6 Å²	41.6	23%	0.231	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-69.4	122.8	163.8	170.7	-112.2	0	0	0	110.5	I326 P330 D355 V356 M385 I416	I326-Y328 PolarHBondContact O-N 2.58Å; Y328-P330 HydrophobicContact CE1-CG 4.16Å; Y328-P330 HydrophobicContact CE2-CB 4.38Å; Y328-P330 HydrophobicContact CE2-CG 4.46Å; Y328-D355 WeakPolarHBondContact CE2-OD1 3.3Å; Y328-V356 HydrophobicContact CD2-CG2 4.09Å; Y328-V356 HydrophobicContact CE2-CG2 3.42Å; Y328-V356 VanDerWaalsContact CE2-CG2 3.42Å; Y328-M385 HydrophobicContact CD1-CB 4.23Å; Y328-M385 HydrophobicContact CD1-CE 4.49Å; Y328-M385 HydrophobicContact CE1-CB 3.66Å; Y328-M385 HydrophobicContact CE1-CG 4.35Å; Y328-I416 HydrophobicContact CD2-CD1 4.03Å; Y328-I416 HydrophobicContact CD2-CG1 4.48Å; Y328-I416 HydrophobicContact CG-CD1 4.42Å; Y328-I416 HydrophobicContact CG-CG2 4.29Å
329	E	88	Confident	84	Confident	64 Å²	64	43.6 Å²	43.6	30%	0.299	26%	0.258	S	S	.	.			trans	-148	101.2	176.4	-170.7	171.9	175.4	0	0	110	K145 P327 C353 G354	K145-E329 VanDerWaalsContact CE-CD 3.45Å; K145-E329 WeakPolarHBondContact CE-OE1 3.28Å; K145-E329 VanDerWaalsContact CE-OE2 3.25Å; K145-E329 WeakPolarHBondContact CE-OE2 3.45Å; K145-E329 IonicContact NZ-OE1 3.64Å; K145-E329 PolarHBondContact NZ-OE1 3.18Å; K145-E329 IonicContact NZ-OE2 2.75Å; P327-E329 PolarHBondContact O-N 2.73Å; E329-C353 HydrophobicContact CB-CB 4.11Å; E329-G354 PolarHBondContact N-O 2.78Å; E329-G354 CarbonylContact O-C 3.46Å
330	P	85.4	Confident	83.3	Confident	14 Å²	14	47.3 Å²	47.3	9%	0.091	28%	0.275	C	S	.	.			trans	-71.2	146.9	178.8	28.5	-31.3	0	0	0	110.6	Y328 H332 I338	Y328-P330 HydrophobicContact CE1-CG 4.16Å; Y328-P330 HydrophobicContact CE2-CB 4.38Å; Y328-P330 HydrophobicContact CE2-CG 4.46Å; P330-H332 PolarHBondContact O-CE1 3.42Å; P330-H332 PolarHBondContact O-ND1 2.68Å; P330-I338 HydrophobicContact CB-CD1 4.14Å; P330-I338 HydrophobicContact CB-CG1 4.25Å; P330-I338 HydrophobicContact CB-CG2 4.04Å; P330-I338 HydrophobicContact CG-CD1 4.28Å
331	F	82	Confident	83.1	Confident	38 Å²	38	48.4 Å²	48.4	17%	0.167	28%	0.279	C	S	.	.			trans	-78.6	128.8	-179.9	-178	-98.7	0	0	0	111.4	P187 I338 K339 R341	P187-F331 HydrophobicContact CG-CD1 4.35Å; P187-F331 HydrophobicContact CG-CE1 3.43Å; P187-F331 VanDerWaalsContact CG-CE1 3.43Å; P187-F331 HydrophobicContact CG-CZ 3.8Å; F331-I338 WeakPolarHBondContact O-CA 3.04Å; F331-K339 HydrophobicContact CD1-CB 4.02Å; F331-K339 HydrophobicContact CE1-CB 4.28Å; F331-K339 HydrophobicContact CE1-CD 4.36Å; F331-K339 PolarHBondContact O-N 3.4Å; F331-R341 HydrophobicContact CB-CB 4.12Å; F331-R341 HydrophobicContact CD1-CB 4.2Å; F331-R341 VanDerWaalsContact CD2-NE 3.27Å; F331-R341 HydrophobicContact CG-CB 4.23Å; F331-R341 VanDerWaalsContact CG-NE 3.31Å
332	H	77.5	Confident	83	Confident	122 Å²	122	48.6 Å²	48.6	57%	0.565	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-110.4	113.4	175.7	-62.3	80.6	0	0	0	108	P330	P330-H332 PolarHBondContact O-CE1 3.42Å; P330-H332 PolarHBondContact O-ND1 2.68Å
333	G	70.9	Confident	83.1	Confident	16 Å²	16	48.9 Å²	48.9	17%	0.165	28%	0.281	C	S	.	.			trans	-79	-179.9	172.1	0	0	0	0	0	112.1	D188 G335	D188-G333 WeakPolarHBondContact OD2-CA 3.35Å; G333-G335 PolarHBondContact O-N 3.43Å; G333-G335 VanDerWaalsContact O-N 3.15Å
334	V	69.9	Low	83.1	Confident	108 Å²	108	48.9 Å²	48.9	66%	0.655	28%	0.281	S	S	*	.	S	Bend	trans	-63	111.2	171.8	179.1	0	0	0	0	109.2	D188	D188-V334 HydrophobicContact CB-CB 4.15Å; D188-V334 HydrophobicContact CB-CG2 3.56Å; D188-V334 PolarHBondContact OD2-N 3.41Å
335	G	69.7	Low	83.1	Confident	66 Å²	66	49.3 Å²	49.3	68%	0.68	29%	0.286	S	S	*	.	S	Bend	trans	130.3	-163.6	-179.4	0	0	0	0	0	112.7	G333	G333-G335 PolarHBondContact O-N 3.43Å; G333-G335 VanDerWaalsContact O-N 3.15Å
336	V	65.3	Low	83.3	Confident	161 Å²	161	49.4 Å²	49.4	98%	0.976	29%	0.287	S	S	*	.	S	Bend	trans	-98.7	115.2	176.7	-178.4	0	0	0	0	109
337	G	65.9	Low	83.4	Confident	43 Å²	43	49.3 Å²	49.3	44%	0.443	29%	0.286	S	S	.	.	S	Bend	trans	127.8	163.6	167.6	0	0	0	0	0	114.4
338	I	67.9	Low	83.6	Confident	95 Å²	95	47.8 Å²	47.8	49%	0.487	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-71.6	126.9	173.8	-63.2	167.1	0	0	0	107.9	P330 F331	P330-I338 HydrophobicContact CB-CD1 4.14Å; P330-I338 HydrophobicContact CB-CG1 4.25Å; P330-I338 HydrophobicContact CB-CG2 4.04Å; P330-I338 HydrophobicContact CG-CD1 4.28Å; F331-I338 WeakPolarHBondContact O-CA 3.04Å
339	K	77.3	Confident	83.8	Confident	79 Å²	79	45 Å²	45	34%	0.343	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-101.1	129.2	173.1	-178	171.5	176.6	-179.5	0	108.2	P187 D188 F331 R341	P187-K339 HydrophobicContact CG-CD 3.93Å; D188-K339 IonicContact OD1-NZ 2.83Å; D188-K339 PolarHBondContact OD1-NZ 3.42Å; F331-K339 HydrophobicContact CD1-CB 4.02Å; F331-K339 HydrophobicContact CE1-CB 4.28Å; F331-K339 HydrophobicContact CE1-CD 4.36Å; F331-K339 PolarHBondContact O-N 3.4Å; K339-R341 PolarHBondContact O-N 3.21Å
340	E	80.7	Confident	84.1	Confident	79 Å²	79	42 Å²	42	37%	0.369	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-67.1	122.4	-177.7	-168.3	-164.4	147.4	0	0	111.1	K287 W342	K287-E340 WeakPolarHBondContact CE-OE1 3.44Å; K287-E340 IonicContact NZ-OE1 3.54Å; K287-E340 PolarHBondContact NZ-OE1 3.42Å; K287-E340 IonicContact NZ-OE2 2.73Å; K287-E340 PolarHBondContact NZ-OE2 2.89Å; E340-W342 PolarHBondContact OE1-NE1 3.16Å; E340-W342 VanDerWaalsContact OE1-NE1 3.08Å
341	R	90.2	Very high	84.4	Confident	25 Å²	25	41.4 Å²	41.4	9%	0.094	25%	0.247	C	C	.	.			trans	-147.5	115.5	177.9	-176.1	-176.9	65.5	86.3	9.9	109.4	E293 F331 K339 C343	E293-R341 HydrophobicContact CB-CG 4.46Å; F331-R341 HydrophobicContact CB-CB 4.12Å; F331-R341 HydrophobicContact CD1-CB 4.2Å; F331-R341 VanDerWaalsContact CD2-NE 3.27Å; F331-R341 HydrophobicContact CG-CB 4.23Å; F331-R341 VanDerWaalsContact CG-NE 3.31Å; K339-R341 PolarHBondContact O-N 3.21Å; R341-C343 PolarHBondContact NH1-SG 3.13Å
342	W	94.8	Very high	84.9	Confident	9 Å²	9	40.8 Å²	40.8	3%	0.034	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-98.3	128.7	178.5	-70	39.8	0	0	0	109.1	K287 A290 T291 D292 E293 V300 F303 E340 A357 N361 L378 Y444	K287-W342 HydrophobicContact CD-CZ2 4.14Å; A290-W342 HydrophobicContact CB-CD2 3.49Å; A290-W342 VanDerWaalsContact CB-CD2 3.49Å; A290-W342 HydrophobicContact CB-CE3 3.93Å; A290-W342 HydrophobicContact CB-CG 3.75Å; A290-W342 HydrophobicContact CB-CH2 4.42Å; A290-W342 HydrophobicContact CB-CZ2 4.02Å; A290-W342 HydrophobicContact CB-CZ3 4.36Å; T291-W342 PolarHBondContact O-N 3.18Å; D292-W342 CarbonylContact C-O 3.5Å; D292-W342 VanDerWaalsContact C-O 3.29Å; D292-W342 WeakPolarHBondContact CA-O 3.17Å; E293-W342 PolarHBondContact N-O 2.72Å; V300-W342 HydrophobicContact CB-CH2 4.24Å; V300-W342 HydrophobicContact CB-CZ3 4.1Å; V300-W342 HydrophobicContact CG1-CH2 3.77Å; V300-W342 HydrophobicContact CG1-CZ2 4.46Å; V300-W342 HydrophobicContact CG1-CZ3 3.94Å; F303-W342 HydrophobicContact CD1-CB 4.46Å; F303-W342 HydrophobicContact CD1-CE3 4.43Å; F303-W342 AromaticContact CD2-CE3 3.75Å; F303-W342 HydrophobicContact CD2-CE3 3.75Å; F303-W342 HydrophobicContact CD2-CZ3 4.19Å; F303-W342 HydrophobicContact CE1-CB 3.74Å; F303-W342 HydrophobicContact CE2-CB 4.41Å; F303-W342 AromaticContact CE2-CE3 3.87Å; F303-W342 HydrophobicContact CE2-CE3 3.87Å; F303-W342 HydrophobicContact CG-CE3 4.04Å; F303-W342 HydrophobicContact CZ-CB 3.71Å; F303-W342 HydrophobicContact CZ-CE3 4.27Å; E340-W342 PolarHBondContact OE1-NE1 3.16Å; E340-W342 VanDerWaalsContact OE1-NE1 3.08Å; W342-A357 HydrophobicContact CD2-CB 3.66Å; W342-A357 HydrophobicContact CE3-CB 4.05Å; W342-A357 HydrophobicContact CG-CB 4.25Å; W342-A357 HydrophobicContact CH2-CB 3.91Å; W342-A357 HydrophobicContact CZ2-CB 3.51Å; W342-A357 HydrophobicContact CZ3-CB 4.18Å; W342-N361 VanDerWaalsContact CE3-ND2 3.3Å; W342-N361 VanDerWaalsContact CZ3-ND2 3.3Å; W342-N361 WeakPolarHBondContact CZ3-ND2 3.35Å; W342-L378 HydrophobicContact CH2-CD1 4.37Å; W342-L378 HydrophobicContact CH2-CD2 4.44Å; W342-Y444 HydrophobicContact CH2-CE1 4.44Å; W342-Y444 WeakPolarHBondContact CH2-OH 3.34Å; W342-Y444 WeakPolarHBondContact CZ3-OH 3.48Å
343	C	95.7	Very high	85.6	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.034	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-88	138	179	-60.5	0	0	0	0	110.4	E293 R341 A347 F348 D358	E293-C343 WeakPolarHBondContact OE2-CA 3.35Å; R341-C343 PolarHBondContact NH1-SG 3.13Å; C343-A347 HydrophobicContact CB-CB 4.19Å; C343-F348 HydrophobicContact CB-CB 3.86Å; C343-D358 PolarHBondContact N-OD1 3.26Å; C343-D358 PolarHBondContact SG-OD2 2.9Å
344	S	96.8	Very high	86.6	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-55.2	152.2	158.9	65.9	0	0	0	0	110.5	Q133 Y153 E293 L346 A347 F348 L489	Q133-S344 PolarHBondContact NE2-OG 3.45Å; Y153-S344 VanDerWaalsContact OH-CB 3.24Å; Y153-S344 WeakPolarHBondContact OH-CB 3.37Å; Y153-S344 PolarHBondContact OH-OG 3.26Å; E293-S344 VanDerWaalsContact OE1-CB 3.28Å; E293-S344 WeakPolarHBondContact OE1-CB 3.3Å; E293-S344 PolarHBondContact OE1-OG 2.94Å; E293-S344 PolarHBondContact OE2-N 3.36Å; S344-L346 VanDerWaalsContact C-N 3.26Å; S344-L346 PolarHBondContact O-N 3.38Å; S344-A347 WeakPolarHBondContact O-CA 3.26Å; S344-A347 WeakPolarHBondContact O-CB 3.13Å; S344-A347 PolarHBondContact O-N 3.15Å; S344-A347 VanDerWaalsContact OG-CB 3.31Å; S344-A347 WeakPolarHBondContact OG-CB 3.32Å; S344-A347 PolarHBondContact OG-N 3.46Å; S344-F348 PolarHBondContact O-N 2.86Å; S344-L489 CarbonylContact C-O 3.59Å; S344-L489 VanDerWaalsContact CA-O 3.31Å; S344-L489 WeakPolarHBondContact CA-O 3.32Å; S344-L489 WeakPolarHBondContact CB-O 3.32Å
345	G	96.8	Very high	87.7	Confident	12 Å²	12	31 Å²	31	12%	0.124	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-38.8	-175.6	0	0	0	0	0	112.9	V349 L489	G345-V349 VanDerWaalsContact O-CG2 3.29Å; G345-V349 WeakPolarHBondContact O-CG2 3.5Å; G345-V349 PolarHBondContact O-N 2.88Å; G345-V349 VanDerWaalsContact O-N 3.16Å; G345-L489 PolarHBondContact N-O 3.11Å
346	L	96.5	Very high	88.8	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-66.6	-45	173.7	-179.1	63.7	0	0	0	111.7	A80 R85 Q133 V135 S344 F348 S350	A80-L346 HydrophobicContact CB-CD1 4.3Å; A80-L346 HydrophobicContact CB-CD2 3.71Å; R85-L346 HydrophobicContact CG-CD1 4.08Å; Q133-L346 HydrophobicContact CB-CD2 3.9Å; Q133-L346 HydrophobicContact CG-CD2 3.77Å; Q133-L346 VanDerWaalsContact OE1-CB 3.23Å; V135-L346 HydrophobicContact CB-CD2 4.36Å; V135-L346 HydrophobicContact CB-CG 4.39Å; V135-L346 HydrophobicContact CG2-CB 4.47Å; V135-L346 HydrophobicContact CG2-CD2 3.81Å; V135-L346 HydrophobicContact CG2-CG 3.87Å; S344-L346 VanDerWaalsContact C-N 3.26Å; S344-L346 PolarHBondContact O-N 3.38Å; L346-F348 VanDerWaalsContact C-N 3.33Å; L346-F348 PolarHBondContact O-N 2.99Å; L346-S350 WeakPolarHBondContact O-CB 3.18Å; L346-S350 PolarHBondContact O-N 3.03Å; L346-S350 PolarHBondContact O-OG 2.64Å
347	A	96.2	Very high	90.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-46.8	179.7	0	0	0	0	0	110.7	V135 L148 E293 C343 S344 S350 S351	V135-A347 HydrophobicContact CG2-CB 4.32Å; L148-A347 HydrophobicContact CD1-CB 4.01Å; L148-A347 HydrophobicContact CD2-CB 3.91Å; E293-A347 HydrophobicContact CG-CB 4.44Å; C343-A347 HydrophobicContact CB-CB 4.19Å; S344-A347 WeakPolarHBondContact O-CA 3.26Å; S344-A347 WeakPolarHBondContact O-CB 3.13Å; S344-A347 PolarHBondContact O-N 3.15Å; S344-A347 VanDerWaalsContact OG-CB 3.31Å; S344-A347 WeakPolarHBondContact OG-CB 3.32Å; S344-A347 PolarHBondContact OG-N 3.46Å; A347-S350 PolarHBondContact O-N 2.97Å; A347-S351 WeakPolarHBondContact O-CB 3.2Å; A347-S351 PolarHBondContact O-N 3.03Å; A347-S351 PolarHBondContact O-OG 2.96Å
348	F	96.7	Very high	91.8	Very high	4 Å²	4	19 Å²	19	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-60.9	-52.5	179.5	177	-133.7	0	0	0	113.4	I326 C343 S344 L346 S350 S351 N352 C353 D358 H359 L362	I326-F348 HydrophobicContact CB-CZ 4.32Å; I326-F348 HydrophobicContact CD1-CE1 4.04Å; I326-F348 HydrophobicContact CD1-CZ 3.96Å; I326-F348 HydrophobicContact CG2-CE2 3.76Å; I326-F348 HydrophobicContact CG2-CZ 3.81Å; C343-F348 HydrophobicContact CB-CB 3.86Å; S344-F348 PolarHBondContact O-N 2.86Å; L346-F348 VanDerWaalsContact C-N 3.33Å; L346-F348 PolarHBondContact O-N 2.99Å; F348-S350 VanDerWaalsContact C-N 3.29Å; F348-S350 PolarHBondContact O-N 2.94Å; F348-S351 PolarHBondContact O-N 2.93Å; F348-S351 PolarHBondContact O-OG 3.45Å; F348-N352 PolarHBondContact O-N 2.97Å; F348-C353 WeakPolarHBondContact CD2-O 3.25Å; F348-D358 HydrophobicContact CB-CB 4.43Å; F348-D358 HydrophobicContact CD1-CB 4.06Å; F348-D358 HydrophobicContact CD2-CB 3.68Å; F348-D358 HydrophobicContact CE1-CB 4.22Å; F348-D358 HydrophobicContact CE2-CB 3.88Å; F348-D358 HydrophobicContact CG-CB 3.8Å; F348-D358 HydrophobicContact CZ-CB 4.15Å; F348-H359 AromaticContact CE2-CE1 3.62Å; F348-H359 AromaticContact CE2-ND1 3.79Å; F348-H359 HydrophobicContact CZ-CB 4.42Å; F348-H359 AromaticContact CZ-CD2 3.77Å; F348-H359 AromaticContact CZ-CE1 3.61Å; F348-H359 AromaticContact CZ-CG 3.66Å; F348-H359 AromaticContact CZ-ND1 3.57Å; F348-H359 AromaticContact CZ-NE2 3.73Å; F348-L362 HydrophobicContact CD1-CB 4.25Å; F348-L362 HydrophobicContact CD1-CD2 3.98Å; F348-L362 HydrophobicContact CE1-CB 3.96Å; F348-L362 HydrophobicContact CE1-CD2 3.59Å; F348-L362 HydrophobicContact CE1-CG 4.42Å
349	V	95.4	Very high	93.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-70.3	-29.1	-178.9	-61	0	0	0	0	112.5	G345 L362 L491 E640	G345-V349 VanDerWaalsContact O-CG2 3.29Å; G345-V349 WeakPolarHBondContact O-CG2 3.5Å; G345-V349 PolarHBondContact O-N 2.88Å; G345-V349 VanDerWaalsContact O-N 3.16Å; V349-L362 HydrophobicContact CG1-CD2 4.09Å; V349-L491 HydrophobicContact CG1-CD2 3.79Å; V349-L491 HydrophobicContact CG2-CD1 4.05Å; V349-L491 HydrophobicContact CG2-CD2 4.33Å; V349-E640 HydrophobicContact CB-CG 3.95Å; V349-E640 HydrophobicContact CG1-CG 4.25Å
350	S	94.5	Very high	94.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	6%	0.058	C	C	.	.	H	α-helix	trans	-74.1	-41.6	177.5	-56.7	0	0	0	0	111.4	L346 A347 F348 N352	L346-S350 WeakPolarHBondContact O-CB 3.18Å; L346-S350 PolarHBondContact O-N 3.03Å; L346-S350 PolarHBondContact O-OG 2.64Å; A347-S350 PolarHBondContact O-N 2.97Å; F348-S350 VanDerWaalsContact C-N 3.29Å; F348-S350 PolarHBondContact O-N 2.94Å; S350-N352 PolarHBondContact O-N 2.81Å
351	S	92.5	Very high	95.1	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.007	4%	0.042	C	C	.	.	H	α-helix	trans	-69.4	-21.8	174.8	60	0	0	0	0	112.4	R146 A347 F348 C353	R146-S351 WeakPolarHBondContact CB-O 3.4Å; A347-S351 WeakPolarHBondContact O-CB 3.2Å; A347-S351 PolarHBondContact O-N 3.03Å; A347-S351 PolarHBondContact O-OG 2.96Å; F348-S351 PolarHBondContact O-N 2.93Å; F348-S351 PolarHBondContact O-OG 3.45Å; S351-C353 PolarHBondContact O-N 3.06Å; S351-C353 VanDerWaalsContact O-N 3.15Å; S351-C353 PolarHBondContact OG-O 3.35Å
352	N	92.2	Very high	95.5	Very high	26 Å²	26	6.5 Å²	6.5	14%	0.139	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.3	-177.9	-169.6	65.5	0	0	0	112	P327 F348 S350	P327-N352 WeakPolarHBondContact CD-O 3.31Å; F348-N352 PolarHBondContact O-N 2.97Å; S350-N352 PolarHBondContact O-N 2.81Å
353	C	91.3	Very high	95.6	Very high	15 Å²	15	6 Å²	6	10%	0.101	4%	0.038	C	C	.	.			trans	-165.9	152.3	172.3	64.2	0	0	0	0	108.7	R146 P327 E329 F348 S351	R146-C353 PolarHBondContact O-SG 3.15Å; P327-C353 VanDerWaalsContact O-CA 3.32Å; P327-C353 WeakPolarHBondContact O-CA 3.39Å; E329-C353 HydrophobicContact CB-CB 4.11Å; F348-C353 WeakPolarHBondContact CD2-O 3.25Å; S351-C353 PolarHBondContact O-N 3.06Å; S351-C353 VanDerWaalsContact O-N 3.15Å; S351-C353 PolarHBondContact OG-O 3.35Å
354	G	92.1	Very high	95.8	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.01	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-178.6	-177.5	178.7	0	0	0	0	0	113.5	P327 E329 H359	P327-G354 PolarHBondContact O-N 3.5Å; E329-G354 PolarHBondContact N-O 2.78Å; E329-G354 CarbonylContact O-C 3.46Å; G354-H359 PolarHBondContact O-CE1 3.13Å; G354-H359 VanDerWaalsContact O-CE1 3.26Å
355	D	92.4	Very high	95.9	Very high	23 Å²	23	6 Å²	6	12%	0.123	4%	0.038	C	C	.	.			trans	-90	175.3	-176.5	-159.4	0.4	0	0	0	111.6	Y328 A357 D358 H359	Y328-D355 WeakPolarHBondContact CE2-OD1 3.3Å; D355-A357 VanDerWaalsContact C-N 3.27Å; D355-A357 PolarHBondContact O-N 2.96Å; D355-D358 PolarHBondContact N-OD2 2.99Å; D355-D358 WeakPolarHBondContact O-CB 3.21Å; D355-D358 PolarHBondContact O-N 3.44Å; D355-D358 VanDerWaalsContact O-N 3.15Å; D355-H359 PolarHBondContact O-N 3.48Å; D355-H359 PolarHBondContact O-ND1 3.25Å
356	V	94.5	Very high	95.9	Very high	10 Å²	10	5.4 Å²	5.4	6%	0.061	3%	0.032	C	C	.	.	H	α-helix	trans	-57.3	-39.9	-178.2	-169.8	0	0	0	0	112	Y328 D358 H359 A360 Y397 A398 I416	Y328-V356 HydrophobicContact CD2-CG2 4.09Å; Y328-V356 HydrophobicContact CE2-CG2 3.42Å; Y328-V356 VanDerWaalsContact CE2-CG2 3.42Å; V356-D358 PolarHBondContact O-N 2.64Å; V356-H359 PolarHBondContact O-N 2.85Å; V356-A360 WeakPolarHBondContact O-CB 3.49Å; V356-A360 PolarHBondContact O-N 3.47Å; V356-Y397 HydrophobicContact CB-CE2 4.44Å; V356-Y397 HydrophobicContact CG1-CD1 4.2Å; V356-Y397 HydrophobicContact CG1-CD2 3.83Å; V356-Y397 HydrophobicContact CG1-CE1 4.01Å; V356-Y397 HydrophobicContact CG1-CE2 3.63Å; V356-Y397 HydrophobicContact CG1-CG 4.11Å; V356-Y397 HydrophobicContact CG2-CD2 4.13Å; V356-Y397 HydrophobicContact CG2-CE2 3.86Å; V356-A398 HydrophobicContact CG1-CB 4Å; V356-A398 WeakPolarHBondContact CG1-O 3.43Å; V356-I416 HydrophobicContact CG1-CG1 4.36Å
357	A	96.1	Very high	96	Very high	7 Å²	7	5.2 Å²	5.2	6%	0.058	3%	0.031	C	C	.	.	H	α-helix	trans	-64.3	-40.2	178.6	0	0	0	0	0	112.4	W342 D355 H359 A360 N361	W342-A357 HydrophobicContact CD2-CB 3.66Å; W342-A357 HydrophobicContact CE3-CB 4.05Å; W342-A357 HydrophobicContact CG-CB 4.25Å; W342-A357 HydrophobicContact CH2-CB 3.91Å; W342-A357 HydrophobicContact CZ2-CB 3.51Å; W342-A357 HydrophobicContact CZ3-CB 4.18Å; D355-A357 VanDerWaalsContact C-N 3.27Å; D355-A357 PolarHBondContact O-N 2.96Å; A357-H359 PolarHBondContact O-N 3.38Å; A357-A360 PolarHBondContact O-N 3.26Å; A357-N361 WeakPolarHBondContact O-CB 3.32Å; A357-N361 PolarHBondContact O-N 3.48Å; A357-N361 PolarHBondContact O-ND2 3.25Å
358	D	97.4	Very high	96.1	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-62.7	-45.1	-179.6	-57.4	-30.9	0	0	0	110.9	C343 F348 D355 V356 L362	C343-D358 PolarHBondContact N-OD1 3.26Å; C343-D358 PolarHBondContact SG-OD2 2.9Å; F348-D358 HydrophobicContact CB-CB 4.43Å; F348-D358 HydrophobicContact CD1-CB 4.06Å; F348-D358 HydrophobicContact CD2-CB 3.68Å; F348-D358 HydrophobicContact CE1-CB 4.22Å; F348-D358 HydrophobicContact CE2-CB 3.88Å; F348-D358 HydrophobicContact CG-CB 3.8Å; F348-D358 HydrophobicContact CZ-CB 4.15Å; D355-D358 PolarHBondContact N-OD2 2.99Å; D355-D358 WeakPolarHBondContact O-CB 3.21Å; D355-D358 PolarHBondContact O-N 3.44Å; D355-D358 VanDerWaalsContact O-N 3.15Å; V356-D358 PolarHBondContact O-N 2.64Å; D358-L362 PolarHBondContact O-N 3.45Å
359	H	98	Very high	96.1	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.8	-45.4	176.5	-68.8	78	0	0	0	111.6	V323 I326 F348 G354 D355 V356 A357 L362 L363 S415 I416	V323-H359 HydrophobicContact CG1-CB 3.96Å; I326-H359 PolarHBondContact O-NE2 2.91Å; I326-H359 VanDerWaalsContact O-NE2 3.1Å; F348-H359 AromaticContact CE2-CE1 3.62Å; F348-H359 AromaticContact CE2-ND1 3.79Å; F348-H359 HydrophobicContact CZ-CB 4.42Å; F348-H359 AromaticContact CZ-CD2 3.77Å; F348-H359 AromaticContact CZ-CE1 3.61Å; F348-H359 AromaticContact CZ-CG 3.66Å; F348-H359 AromaticContact CZ-ND1 3.57Å; F348-H359 AromaticContact CZ-NE2 3.73Å; G354-H359 PolarHBondContact O-CE1 3.13Å; G354-H359 VanDerWaalsContact O-CE1 3.26Å; D355-H359 PolarHBondContact O-N 3.48Å; D355-H359 PolarHBondContact O-ND1 3.25Å; V356-H359 PolarHBondContact O-N 2.85Å; A357-H359 PolarHBondContact O-N 3.38Å; H359-L362 PolarHBondContact O-N 3.05Å; H359-L363 WeakPolarHBondContact O-CB 2.85Å; H359-L363 PolarHBondContact O-N 3.01Å; H359-S415 WeakPolarHBondContact CB-OG 3.38Å; H359-I416 HydrophobicContact CB-CD1 3.56Å; H359-I416 WeakPolarHBondContact ND1-CD1 3.3Å
360	A	98.3	Very high	96.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.4	-41.4	180	0	0	0	0	0	111.9	V356 A357 L363 C364 V376 A398 V400 S415	V356-A360 WeakPolarHBondContact O-CB 3.49Å; V356-A360 PolarHBondContact O-N 3.47Å; A357-A360 PolarHBondContact O-N 3.26Å; A360-L363 PolarHBondContact O-N 2.87Å; A360-C364 WeakPolarHBondContact O-CB 3.07Å; A360-C364 PolarHBondContact O-N 3.31Å; A360-V376 HydrophobicContact CB-CG1 3.89Å; A360-V376 HydrophobicContact CB-CG2 4.44Å; A360-A398 HydrophobicContact CB-CB 3.9Å; A360-V400 HydrophobicContact CB-CG2 4.34Å; A360-V400 WeakPolarHBondContact O-CG2 3.48Å; A360-S415 PolarHBondContact N-OG 2.94Å
361	N	98.6	Very high	96.2	Very high	6 Å²	6	13 Å²	13	3%	0.032	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-44.7	176.5	-72.8	-33.8	0	0	0	111.8	F303 V304 W342 A357 S365 Y444	F303-N361 HydrophobicContact CB-CB 4.25Å; V304-N361 HydrophobicContact CG2-CB 4.07Å; V304-N361 WeakPolarHBondContact CG2-OD1 3.38Å; W342-N361 VanDerWaalsContact CE3-ND2 3.3Å; W342-N361 VanDerWaalsContact CZ3-ND2 3.3Å; W342-N361 WeakPolarHBondContact CZ3-ND2 3.35Å; A357-N361 WeakPolarHBondContact O-CB 3.32Å; A357-N361 PolarHBondContact O-N 3.48Å; A357-N361 PolarHBondContact O-ND2 3.25Å; N361-S365 VanDerWaalsContact O-CB 3.31Å; N361-S365 WeakPolarHBondContact O-CB 3.49Å; N361-S365 PolarHBondContact O-N 3.03Å; N361-S365 PolarHBondContact O-OG 3.21Å; N361-Y444 WeakPolarHBondContact OD1-CE2 3.17Å; N361-Y444 PolarHBondContact OD1-OH 3.41Å
362	L	98.3	Very high	96.4	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-47	177.1	-179.7	60.4	0	0	0	111.4	L307 F322 V323 I326 F348 V349 D358 H359 C364 S365 L366 L491	L307-L362 HydrophobicContact CD2-CD1 4.14Å; F322-L362 HydrophobicContact CE1-CD2 4.08Å; F322-L362 HydrophobicContact CZ-CD2 4.42Å; V323-L362 HydrophobicContact CG2-CD2 4.06Å; V323-L362 HydrophobicContact CG2-CG 4.06Å; I326-L362 HydrophobicContact CD1-CD2 4.03Å; F348-L362 HydrophobicContact CD1-CB 4.25Å; F348-L362 HydrophobicContact CD1-CD2 3.98Å; F348-L362 HydrophobicContact CE1-CB 3.96Å; F348-L362 HydrophobicContact CE1-CD2 3.59Å; F348-L362 HydrophobicContact CE1-CG 4.42Å; V349-L362 HydrophobicContact CG1-CD2 4.09Å; D358-L362 PolarHBondContact O-N 3.45Å; H359-L362 PolarHBondContact O-N 3.05Å; L362-C364 PolarHBondContact O-N 2.76Å; L362-S365 WeakPolarHBondContact O-CB 3.44Å; L362-S365 PolarHBondContact O-N 3.17Å; L362-L366 HydrophobicContact CD1-CD1 4.36Å; L362-L366 HydrophobicContact CD1-CG 4.4Å; L362-L366 HydrophobicContact CG-CD1 4.1Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.36Å; L362-L366 PolarHBondContact O-N 3.38Å; L362-L491 HydrophobicContact CD1-CD2 4Å
363	L	98.4	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-44.7	179	-179.7	56	0	0	0	111.8	A320 V323 H359 A360 S365 L366 L367 V400 W413	A320-L363 HydrophobicContact CB-CD1 3.96Å; A320-L363 HydrophobicContact CB-CD2 4.39Å; V323-L363 HydrophobicContact CB-CB 4.5Å; V323-L363 HydrophobicContact CG1-CB 4.32Å; V323-L363 HydrophobicContact CG2-CB 4.17Å; V323-L363 HydrophobicContact CG2-CD1 4.34Å; H359-L363 WeakPolarHBondContact O-CB 2.85Å; H359-L363 PolarHBondContact O-N 3.01Å; A360-L363 PolarHBondContact O-N 2.87Å; L363-S365 VanDerWaalsContact C-N 3.32Å; L363-S365 PolarHBondContact O-N 3.25Å; L363-L366 PolarHBondContact O-N 2.75Å; L363-L367 HydrophobicContact CD1-CD1 4.26Å; L363-L367 HydrophobicContact CD1-CG 4.12Å; L363-L367 HydrophobicContact CG-CD1 4.15Å; L363-L367 HydrophobicContact CG-CG 4.43Å; L363-L367 WeakPolarHBondContact O-CG 3.41Å; L363-L367 PolarHBondContact O-N 3.26Å; L363-V400 HydrophobicContact CB-CG2 4.04Å; L363-V400 HydrophobicContact CD2-CB 4.47Å; L363-V400 HydrophobicContact CD2-CG2 4.11Å; L363-V400 HydrophobicContact CG-CG2 4.06Å; L363-W413 HydrophobicContact CD2-CB 3.99Å
364	C	98.7	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-45.7	176.1	-174	0	0	0	0	111.1	V304 A360 L362 L366 L367 L368 V376 V400	V304-C364 HydrophobicContact CG1-CB 4.33Å; A360-C364 WeakPolarHBondContact O-CB 3.07Å; A360-C364 PolarHBondContact O-N 3.31Å; L362-C364 PolarHBondContact O-N 2.76Å; C364-L366 VanDerWaalsContact C-N 3.32Å; C364-L366 PolarHBondContact O-N 3.27Å; C364-L367 PolarHBondContact O-N 3.49Å; C364-L368 WeakPolarHBondContact O-CB 3.29Å; C364-L368 WeakPolarHBondContact O-CD1 3.44Å; C364-L368 VanDerWaalsContact O-CG 3.22Å; C364-L368 WeakPolarHBondContact O-CG 3.22Å; C364-L368 PolarHBondContact O-N 3.46Å; C364-V376 HydrophobicContact CB-CG2 3.51Å; C364-V400 HydrophobicContact CB-CG1 4.15Å; C364-V400 HydrophobicContact CB-CG2 4.01Å
365	S	98.5	Very high	97.2	Very high	4 Å²	4	16 Å²	16	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-44	175.4	-63.6	0	0	0	0	112.5	N305 L307 N361 L362 L363 G369	N305-S365 PolarHBondContact N-OG 2.91Å; N305-S365 WeakPolarHBondContact O-CA 3.5Å; N305-S365 WeakPolarHBondContact O-CB 3.26Å; N305-S365 PolarHBondContact O-OG 3.06Å; L307-S365 PolarHBondContact N-O 3.39Å; N361-S365 VanDerWaalsContact O-CB 3.31Å; N361-S365 WeakPolarHBondContact O-CB 3.49Å; N361-S365 PolarHBondContact O-N 3.03Å; N361-S365 PolarHBondContact O-OG 3.21Å; L362-S365 WeakPolarHBondContact O-CB 3.44Å; L362-S365 PolarHBondContact O-N 3.17Å; L363-S365 VanDerWaalsContact C-N 3.32Å; L363-S365 PolarHBondContact O-N 3.25Å; S365-G369 PolarHBondContact O-N 2.96Å
366	L	98.2	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-48.1	176.9	-69	167.1	0	0	0	111.8	L307 V309 L313 A319 F322 V323 L362 L363 C364 L368 G369 Y370	L307-L366 HydrophobicContact CB-CD2 4.48Å; L307-L366 HydrophobicContact CD2-CD2 3.78Å; L307-L366 HydrophobicContact CD2-CG 4.41Å; L307-L366 HydrophobicContact CG-CD2 4.12Å; V309-L366 HydrophobicContact CG1-CD2 4.49Å; V309-L366 HydrophobicContact CG2-CD2 3.31Å; L313-L366 HydrophobicContact CD1-CD2 4.26Å; A319-L366 HydrophobicContact CB-CB 4.28Å; A319-L366 HydrophobicContact CB-CD1 4.23Å; F322-L366 HydrophobicContact CD1-CD1 4.05Å; F322-L366 HydrophobicContact CE1-CD1 4.19Å; V323-L366 HydrophobicContact CG2-CD1 3.56Å; L362-L366 HydrophobicContact CD1-CD1 4.36Å; L362-L366 HydrophobicContact CD1-CG 4.4Å; L362-L366 HydrophobicContact CG-CD1 4.1Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.36Å; L362-L366 PolarHBondContact O-N 3.38Å; L363-L366 PolarHBondContact O-N 2.75Å; C364-L366 VanDerWaalsContact C-N 3.32Å; C364-L366 PolarHBondContact O-N 3.27Å; L366-L368 PolarHBondContact O-N 3.44Å; L366-G369 CarbonylContact O-C 3.57Å; L366-G369 VanDerWaalsContact O-CA 3.32Å; L366-G369 WeakPolarHBondContact O-CA 3.04Å; L366-G369 PolarHBondContact O-N 2.99Å; L366-Y370 WeakPolarHBondContact O-CD2 3.33Å; L366-Y370 PolarHBondContact O-N 3.48Å
367	L	98	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-43.5	179.5	-67.6	177.7	0	0	0	112.1	P316 L363 C364 G369 Y370 G371 I372 A374 V400 V402 W413	P316-L367 HydrophobicContact CB-CD2 3.67Å; L363-L367 HydrophobicContact CD1-CD1 4.26Å; L363-L367 HydrophobicContact CD1-CG 4.12Å; L363-L367 HydrophobicContact CG-CD1 4.15Å; L363-L367 HydrophobicContact CG-CG 4.43Å; L363-L367 WeakPolarHBondContact O-CG 3.41Å; L363-L367 PolarHBondContact O-N 3.26Å; C364-L367 PolarHBondContact O-N 3.49Å; L367-G369 PolarHBondContact O-N 2.93Å; L367-Y370 WeakPolarHBondContact O-CB 3.39Å; L367-Y370 PolarHBondContact O-N 3.41Å; L367-G371 PolarHBondContact O-N 2.89Å; L367-I372 HydrophobicContact CB-CB 4.41Å; L367-I372 HydrophobicContact CD2-CD1 4.04Å; L367-I372 WeakPolarHBondContact O-CB 3.31Å; L367-I372 PolarHBondContact O-N 3.05Å; L367-I372 VanDerWaalsContact O-N 3.12Å; L367-A374 HydrophobicContact CB-CB 3.74Å; L367-A374 HydrophobicContact CD1-CB 4.23Å; L367-V400 HydrophobicContact CD1-CG1 3.83Å; L367-V402 HydrophobicContact CD1-CG2 3.78Å; L367-W413 HydrophobicContact CD1-CD2 4.46Å
368	L	98.1	Very high	97.8	Very high	25 Å²	25	14.7 Å²	14.7	13%	0.131	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-35.4	171.6	-69	166.3	0	0	0	111.7	V304 P306 C364 L366 Y370 G371 A374 N445	V304-L368 HydrophobicContact CG1-CD1 3.58Å; P306-L368 HydrophobicContact CB-CB 4.04Å; P306-L368 HydrophobicContact CG-CB 4.01Å; C364-L368 WeakPolarHBondContact O-CB 3.29Å; C364-L368 WeakPolarHBondContact O-CD1 3.44Å; C364-L368 VanDerWaalsContact O-CG 3.22Å; C364-L368 WeakPolarHBondContact O-CG 3.22Å; C364-L368 PolarHBondContact O-N 3.46Å; L366-L368 PolarHBondContact O-N 3.44Å; L368-Y370 PolarHBondContact O-N 2.88Å; L368-G371 WeakPolarHBondContact O-CA 3.5Å; L368-G371 PolarHBondContact O-N 2.77Å; L368-A374 HydrophobicContact CD2-CB 4.42Å; L368-A374 HydrophobicContact CG-CB 4.32Å; L368-N445 HydrophobicContact CD1-CB 4.09Å
369	G	96.8	Very high	97.7	Very high	17 Å²	17	14.7 Å²	14.7	18%	0.175	9%	0.093	C	C	.	.	H	α-helix	trans	-64	-23.1	174.2	0	0	0	0	0	114.8	S308 S365 L366 L367 G371	S308-G369 PolarHBondContact OG-O 2.95Å; S365-G369 PolarHBondContact O-N 2.96Å; L366-G369 CarbonylContact O-C 3.57Å; L366-G369 VanDerWaalsContact O-CA 3.32Å; L366-G369 WeakPolarHBondContact O-CA 3.04Å; L366-G369 PolarHBondContact O-N 2.99Å; L367-G369 PolarHBondContact O-N 2.93Å; G369-G371 VanDerWaalsContact C-N 3.33Å
370	Y	96.3	Very high	97.6	Very high	57 Å²	57	15.3 Å²	15.3	22%	0.224	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.4	168.8	-65.4	-81.3	0	0	0	113.2	L313 T315 P316 A319 L366 L367 L368	L313-Y370 VanDerWaalsContact C-OH 3.32Å; L313-Y370 WeakPolarHBondContact CB-OH 2.76Å; L313-Y370 PolarHBondContact O-OH 3.29Å; T315-Y370 PolarHBondContact O-OH 2.95Å; P316-Y370 HydrophobicContact CG-CD1 4.49Å; P316-Y370 HydrophobicContact CG-CD2 4.21Å; P316-Y370 HydrophobicContact CG-CG 4.18Å; A319-Y370 HydrophobicContact CB-CE2 3.89Å; L366-Y370 WeakPolarHBondContact O-CD2 3.33Å; L366-Y370 PolarHBondContact O-N 3.48Å; L367-Y370 WeakPolarHBondContact O-CB 3.39Å; L367-Y370 PolarHBondContact O-N 3.41Å; L368-Y370 PolarHBondContact O-N 2.88Å
371	G	95.7	Very high	97.3	Very high	70 Å²	70	15.3 Å²	15.3	72%	0.722	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	19	-175.6	0	0	0	0	0	114.1	L367 L368 G369	L367-G371 PolarHBondContact O-N 2.89Å; L368-G371 WeakPolarHBondContact O-CA 3.5Å; L368-G371 PolarHBondContact O-N 2.77Å; G369-G371 VanDerWaalsContact C-N 3.33Å
372	I	95.9	Very high	96.8	Very high	46 Å²	46	17.8 Å²	17.8	24%	0.236	11%	0.109	C	C	.	.			trans	-87.2	134.5	177.8	-61.3	169.8	0	0	0	109.3	P316 L367 A374 V402	P316-I372 HydrophobicContact CB-CD1 4.02Å; P316-I372 HydrophobicContact CG-CD1 3.53Å; L367-I372 HydrophobicContact CB-CB 4.41Å; L367-I372 HydrophobicContact CD2-CD1 4.04Å; L367-I372 WeakPolarHBondContact O-CB 3.31Å; L367-I372 PolarHBondContact O-N 3.05Å; L367-I372 VanDerWaalsContact O-N 3.12Å; I372-A374 PolarHBondContact O-N 2.88Å; I372-V402 HydrophobicContact CG2-CB 4.27Å; I372-V402 HydrophobicContact CG2-CG1 3.35Å; I372-V402 HydrophobicContact CG2-CG2 3.95Å
373	E	96.3	Very high	95.9	Very high	49 Å²	49	18.3 Å²	18.3	23%	0.229	11%	0.111	C	C	.	.			trans	-70.9	89.9	174.3	-163.5	-173.5	161.9	0	0	110.3	Y375 V402 C403 Y407	E373-Y375 HydrophobicContact CG-CE2 3.62Å; E373-Y375 WeakPolarHBondContact OE1-CE2 3.16Å; E373-Y375 PolarHBondContact OE1-OH 3.1Å; E373-V402 WeakPolarHBondContact O-CA 3.49Å; E373-C403 PolarHBondContact O-N 2.95Å; E373-Y407 PolarHBondContact OE1-OH 3.26Å
374	A	98.2	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.8	-177.2	0	0	0	0	0	112.2	L367 L368 I372 V400 V401 V402 N445	L367-A374 HydrophobicContact CB-CB 3.74Å; L367-A374 HydrophobicContact CD1-CB 4.23Å; L368-A374 HydrophobicContact CD2-CB 4.42Å; L368-A374 HydrophobicContact CG-CB 4.32Å; I372-A374 PolarHBondContact O-N 2.88Å; A374-V400 HydrophobicContact CB-CG1 3.96Å; A374-V401 CarbonylContact C-O 3.57Å; A374-V401 WeakPolarHBondContact CA-O 3.48Å; A374-V402 HydrophobicContact CB-CG2 4.06Å; A374-N445 WeakPolarHBondContact O-CB 3.29Å; A374-N445 PolarHBondContact O-ND2 2.93Å
375	Y	98.7	Very high	93	Very high	10 Å²	10	20.4 Å²	20.4	4%	0.039	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.7	178.4	-59.9	-85.8	0	0	0	110.3	E373 V400 V401 Y444 N445 Y450 L466	E373-Y375 HydrophobicContact CG-CE2 3.62Å; E373-Y375 WeakPolarHBondContact OE1-CE2 3.16Å; E373-Y375 PolarHBondContact OE1-OH 3.1Å; Y375-V400 CarbonylContact O-C 3.57Å; Y375-V400 WeakPolarHBondContact O-CA 3.33Å; Y375-V400 WeakPolarHBondContact O-CG1 3.32Å; Y375-V401 PolarHBondContact N-O 2.69Å; Y375-V401 PolarHBondContact O-N 3.38Å; Y375-Y444 CarbonylContact C-O 3.59Å; Y375-Y444 WeakPolarHBondContact CA-O 3.39Å; Y375-N445 HydrophobicContact CD1-CB 4.05Å; Y375-N445 WeakPolarHBondContact CD1-ND2 3.49Å; Y375-N445 HydrophobicContact CE1-CB 4.49Å; Y375-N445 WeakPolarHBondContact CE1-ND2 3.33Å; Y375-Y450 HydrophobicContact CD1-CE2 4.46Å; Y375-Y450 HydrophobicContact CE1-CD2 4.34Å; Y375-Y450 AromaticContact CE1-CE2 3.77Å; Y375-Y450 HydrophobicContact CE1-CE2 3.77Å; Y375-L466 HydrophobicContact CD1-CD1 4.45Å; Y375-L466 HydrophobicContact CD2-CD1 3.78Å; Y375-L466 HydrophobicContact CE1-CD1 4.07Å; Y375-L466 HydrophobicContact CE2-CD1 3.32Å; Y375-L466 HydrophobicContact CG-CD1 4.32Å; Y375-L466 VanDerWaalsContact CZ-CD1 3.5Å
376	V	98.7	Very high	91.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.9	165	-177.6	0	0	0	0	108.4	V304 A360 C364 L378 A398 W399 L443 Y444	V304-V376 HydrophobicContact CG2-CG2 4.14Å; A360-V376 HydrophobicContact CB-CG1 3.89Å; A360-V376 HydrophobicContact CB-CG2 4.44Å; C364-V376 HydrophobicContact CB-CG2 3.51Å; V376-L378 HydrophobicContact CG1-CD2 4.18Å; V376-A398 HydrophobicContact CG1-CB 4.33Å; V376-W399 CarbonylContact C-O 3.57Å; V376-W399 WeakPolarHBondContact CA-O 3.45Å; V376-L443 CarbonylContact O-C 3.56Å; V376-L443 VanDerWaalsContact O-CA 3.3Å; V376-L443 WeakPolarHBondContact O-CA 3.23Å; V376-Y444 HydrophobicContact CB-CD1 4.15Å; V376-Y444 HydrophobicContact CB-CD2 4.38Å; V376-Y444 HydrophobicContact CB-CE1 3.63Å; V376-Y444 HydrophobicContact CB-CE2 3.89Å; V376-Y444 HydrophobicContact CB-CG 4.49Å; V376-Y444 VanDerWaalsContact CB-CZ 3.48Å; V376-Y444 HydrophobicContact CG1-CE1 3.63Å; V376-Y444 HydrophobicContact CG1-CE2 4.45Å; V376-Y444 VanDerWaalsContact CG1-OH 3.31Å; V376-Y444 WeakPolarHBondContact CG1-OH 3.31Å; V376-Y444 HydrophobicContact CG2-CE2 4.07Å; V376-Y444 PolarHBondContact N-O 3.47Å; V376-Y444 PolarHBondContact O-N 3.17Å
377	A	98.4	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.4	171.3	0	0	0	0	0	110.3	A398 W399 V401 I440 C442 L443	A377-A398 VanDerWaalsContact O-CA 3.26Å; A377-A398 WeakPolarHBondContact O-CA 3.35Å; A377-W399 HydrophobicContact CB-CD2 3.7Å; A377-W399 VanDerWaalsContact CB-CE2 3.41Å; A377-W399 HydrophobicContact CB-CE3 4.09Å; A377-W399 HydrophobicContact CB-CG 4.24Å; A377-W399 HydrophobicContact CB-CH2 3.98Å; A377-W399 HydrophobicContact CB-CZ2 3.58Å; A377-W399 HydrophobicContact CB-CZ3 4.23Å; A377-W399 PolarHBondContact N-O 2.81Å; A377-W399 PolarHBondContact O-N 3.28Å; A377-W399 VanDerWaalsContact O-N 3.12Å; A377-V401 HydrophobicContact CB-CG2 3.68Å; A377-I440 HydrophobicContact CB-CD1 3.68Å; A377-I440 HydrophobicContact CB-CG1 4.23Å; A377-C442 WeakPolarHBondContact CA-O 3.4Å; A377-L443 HydrophobicContact CB-CD2 3.62Å
378	L	97.8	Very high	87.3	Confident	14 Å²	14	41.1 Å²	41.1	7%	0.073	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.3	171	-57.2	-179.7	0	0	0	109.6	K287 W342 V376 A398 G441 C442 Y444	K287-L378 HydrophobicContact CB-CD1 3.67Å; K287-L378 HydrophobicContact CD-CD1 4.04Å; K287-L378 HydrophobicContact CG-CD1 4.32Å; W342-L378 HydrophobicContact CH2-CD1 4.37Å; W342-L378 HydrophobicContact CH2-CD2 4.44Å; V376-L378 HydrophobicContact CG1-CD2 4.18Å; L378-A398 HydrophobicContact CD2-CB 3.59Å; L378-G441 PolarHBondContact O-N 3.29Å; L378-C442 PolarHBondContact N-O 3.27Å; L378-C442 PolarHBondContact O-N 3.09Å; L378-Y444 HydrophobicContact CD1-CD1 4.35Å; L378-Y444 HydrophobicContact CD1-CE1 3.76Å; L378-Y444 HydrophobicContact CD2-CE1 4.18Å; L378-Y444 HydrophobicContact CG-CD1 4.44Å; L378-Y444 HydrophobicContact CG-CE1 3.82Å
379	G	95.8	Very high	85.7	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-145.3	-170.2	0	0	0	0	0	112.5	L285 L396 Y397 N439	L285-G379 VanDerWaalsContact CD1-C 3.49Å; L285-G379 WeakPolarHBondContact CD1-O 3.42Å; G379-L396 WeakPolarHBondContact O-CA 3.4Å; G379-Y397 PolarHBondContact N-O 2.9Å; G379-Y397 PolarHBondContact O-N 3.32Å; G379-N439 CarbonylContact C-O 3.5Å; G379-N439 WeakPolarHBondContact CA-O 3.21Å
380	T	94.9	Very high	84	Confident	13 Å²	13	50.4 Å²	50.4	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.7	177	66.8	0	0	0	0	113	L285 Y395 Y438 N439	L285-T380 HydrophobicContact CD1-CG2 3.42Å; L285-T380 VanDerWaalsContact CD1-CG2 3.42Å; T380-Y395 CarbonylContact C-O 3.29Å; T380-Y395 WeakPolarHBondContact CA-O 3.3Å; T380-Y395 WeakPolarHBondContact CB-O 3.18Å; T380-Y438 PolarHBondContact O-N 3.49Å; T380-N439 HydrophobicContact CG2-CB 4.33Å; T380-N439 PolarHBondContact N-O 3.49Å; T380-N439 WeakPolarHBondContact OG1-CB 3.39Å; T380-N439 PolarHBondContact OG1-N 3.29Å; T380-N439 PolarHBondContact OG1-OD1 3.33Å
381	S	92.5	Very high	82.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.4	172.8	-173.8	0	0	0	0	111.5	L383 S394 Y395 P436	S381-L383 VanDerWaalsContact C-N 3.3Å; S381-L383 PolarHBondContact OG-N 3.18Å; S381-L383 VanDerWaalsContact OG-N 3.13Å; S381-S394 WeakPolarHBondContact O-CA 3.47Å; S381-Y395 PolarHBondContact N-O 2.98Å; S381-Y395 PolarHBondContact O-N 3.02Å; S381-P436 WeakPolarHBondContact CA-O 3.32Å; S381-P436 PolarHBondContact OG-O 2.85Å
382	Q	88.6	Confident	81.4	Confident	58 Å²	58	52.5 Å²	52.5	27%	0.271	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-3.8	170.6	-71.1	-177.6	-38.6	0	0	112.9	N384 M390 T391 P436	Q382-N384 PolarHBondContact O-N 3.12Å; Q382-M390 HydrophobicContact CB-CG 4.39Å; Q382-M390 HydrophobicContact CB-SD 3.7Å; Q382-T391 WeakPolarHBondContact CB-O 3.45Å; Q382-T391 PolarHBondContact O-N 3.47Å; Q382-T391 PolarHBondContact O-OG1 2.74Å; Q382-P436 PolarHBondContact N-O 3.25Å
383	L	79.2	Confident	80.5	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.099	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.8	170.7	-72.5	167.6	0	0	0	109.5	S381 M385 M390 P436	S381-L383 VanDerWaalsContact C-N 3.3Å; S381-L383 PolarHBondContact OG-N 3.18Å; S381-L383 VanDerWaalsContact OG-N 3.13Å; L383-M385 HydrophobicContact CB-SD 4.26Å; L383-M385 PolarHBondContact O-N 2.77Å; L383-M390 HydrophobicContact CD2-CE 3.58Å; L383-M390 HydrophobicContact CD2-SD 4.07Å; L383-M390 HydrophobicContact CG-CE 4.23Å; L383-M390 HydrophobicContact CG-SD 4.3Å; L383-P436 HydrophobicContact CD1-CB 3.42Å; L383-P436 VanDerWaalsContact CD1-CB 3.42Å; L383-P436 HydrophobicContact CD1-CG 3.58Å; L383-P436 HydrophobicContact CD2-CB 4.19Å; L383-P436 HydrophobicContact CG-CB 3.41Å; L383-P436 VanDerWaalsContact CG-CB 3.41Å; L383-P436 HydrophobicContact CG-CG 4.15Å
384	N	69.5	Low	79.6	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.7	166.2	-176.4	-45.3	0	0	0	108.3	Q382 D386 K387 Q388 Q389 T391 Y395	Q382-N384 PolarHBondContact O-N 3.12Å; N384-D386 WeakPolarHBondContact OD1-CB 3.22Å; N384-D386 PolarHBondContact OD1-N 2.92Å; N384-K387 HydrophobicContact CB-CB 4.44Å; N384-K387 PolarHBondContact OD1-N 2.9Å; N384-Q388 WeakPolarHBondContact O-CA 3.26Å; N384-Q388 PolarHBondContact O-N 2.9Å; N384-Q389 WeakPolarHBondContact CB-O 3.46Å; N384-Q389 PolarHBondContact N-O 3.07Å; N384-Q389 PolarHBondContact O-N 3.04Å; N384-T391 HydrophobicContact CB-CG2 3.5Å; N384-Y395 HydrophobicContact CB-CE2 4.25Å
385	M	66.8	Low	79	Confident	31 Å²	31	58 Å²	58	15%	0.153	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-32.8	-177.9	-61.8	-52.2	-68.9	0	0	113.1	Y328 L383 K387 Y397 I416	Y328-M385 HydrophobicContact CD1-CB 4.23Å; Y328-M385 HydrophobicContact CD1-CE 4.49Å; Y328-M385 HydrophobicContact CE1-CB 3.66Å; Y328-M385 HydrophobicContact CE1-CG 4.35Å; L383-M385 HydrophobicContact CB-SD 4.26Å; L383-M385 PolarHBondContact O-N 2.77Å; M385-K387 VanDerWaalsContact C-N 3.33Å; M385-K387 PolarHBondContact O-N 3.02Å; M385-Y397 HydrophobicContact CG-CE2 3.88Å; M385-Y397 HydrophobicContact SD-CE2 3.92Å; M385-I416 HydrophobicContact CE-CB 3.63Å; M385-I416 HydrophobicContact CE-CG1 4.04Å; M385-I416 HydrophobicContact CE-CG2 3.19Å
386	D	63.4	Low	78.7	Confident	132 Å²	132	63.8 Å²	63.8	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.7	178.9	-60	-27.4	0	0	0	111.9	N384	N384-D386 WeakPolarHBondContact OD1-CB 3.22Å; N384-D386 PolarHBondContact OD1-N 2.92Å
387	K	55.8	Low	78.4	Confident	141 Å²	141	64.4 Å²	64.4	61%	0.613	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-7.3	179.9	-64.7	-176.3	179.8	177.7	0	113.6	N384 M385 Q389	N384-K387 HydrophobicContact CB-CB 4.44Å; N384-K387 PolarHBondContact OD1-N 2.9Å; M385-K387 VanDerWaalsContact C-N 3.33Å; M385-K387 PolarHBondContact O-N 3.02Å; K387-Q389 HydrophobicContact CB-CB 4.27Å; K387-Q389 WeakPolarHBondContact O-CG 3.44Å; K387-Q389 PolarHBondContact O-N 3.07Å; K387-Q389 VanDerWaalsContact O-N 3.14Å
388	Q	56.8	Low	78.4	Confident	167 Å²	167	64.6 Å²	64.6	78%	0.78	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	39.3	-170.5	-61	-177.1	-4.4	0	0	112.7	N384	N384-Q388 WeakPolarHBondContact O-CA 3.26Å; N384-Q388 PolarHBondContact O-N 2.9Å
389	Q	62.4	Low	78.4	Confident	125 Å²	125	63.9 Å²	63.9	58%	0.584	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.6	-175.1	-79.1	174.3	25.4	0	0	110	N384 K387 T391	N384-Q389 WeakPolarHBondContact CB-O 3.46Å; N384-Q389 PolarHBondContact N-O 3.07Å; N384-Q389 PolarHBondContact O-N 3.04Å; K387-Q389 HydrophobicContact CB-CB 4.27Å; K387-Q389 WeakPolarHBondContact O-CG 3.44Å; K387-Q389 PolarHBondContact O-N 3.07Å; K387-Q389 VanDerWaalsContact O-N 3.14Å; Q389-T391 PolarHBondContact O-N 3.06Å
390	M	61.5	Low	78.5	Confident	111 Å²	111	63.8 Å²	63.8	55%	0.547	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.1	172	-155.4	65.7	63.5	0	0	108.9	Q382 L383 P436	Q382-M390 HydrophobicContact CB-CG 4.39Å; Q382-M390 HydrophobicContact CB-SD 3.7Å; L383-M390 HydrophobicContact CD2-CE 3.58Å; L383-M390 HydrophobicContact CD2-SD 4.07Å; L383-M390 HydrophobicContact CG-CE 4.23Å; L383-M390 HydrophobicContact CG-SD 4.3Å; M390-P436 HydrophobicContact CE-CB 4.09Å; M390-P436 HydrophobicContact SD-CB 4.3Å
391	T	69.3	Low	78.6	Confident	34 Å²	34	63.1 Å²	63.1	21%	0.209	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.4	178.3	65	0	0	0	0	110.9	Q382 N384 Q389 S393	Q382-T391 WeakPolarHBondContact CB-O 3.45Å; Q382-T391 PolarHBondContact O-N 3.47Å; Q382-T391 PolarHBondContact O-OG1 2.74Å; N384-T391 HydrophobicContact CB-CG2 3.5Å; Q389-T391 PolarHBondContact O-N 3.06Å; T391-S393 PolarHBondContact O-N 2.9Å; T391-S393 PolarHBondContact OG1-O 2.87Å
392	T	67.9	Low	78.9	Confident	137 Å²	137	64 Å²	64	84%	0.84	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	-18.9	175.3	50.9	0	0	0	0	112.7
393	S	77.2	Confident	79.2	Confident	62 Å²	62	61.5 Å²	61.5	43%	0.434	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138	175.7	-57.2	0	0	0	0	110.9	T391 Y395	T391-S393 PolarHBondContact O-N 2.9Å; T391-S393 PolarHBondContact OG1-O 2.87Å; S393-Y395 WeakPolarHBondContact O-CE2 3.15Å
394	S	78.4	Confident	79.8	Confident	48 Å²	48	62.1 Å²	62.1	34%	0.336	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.3	176.7	-58.2	0	0	0	0	110.3	S381	S381-S394 WeakPolarHBondContact O-CA 3.47Å
395	Y	86	Confident	80.6	Confident	100 Å²	100	68.2 Å²	68.2	39%	0.392	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.7	179.5	-56.4	-87	0	0	0	110.4	T380 S381 N384 S393 Y397	T380-Y395 CarbonylContact C-O 3.29Å; T380-Y395 WeakPolarHBondContact CA-O 3.3Å; T380-Y395 WeakPolarHBondContact CB-O 3.18Å; S381-Y395 PolarHBondContact N-O 2.98Å; S381-Y395 PolarHBondContact O-N 3.02Å; N384-Y395 HydrophobicContact CB-CE2 4.25Å; S393-Y395 WeakPolarHBondContact O-CE2 3.15Å; Y395-Y397 PolarHBondContact O-N 3.38Å
396	L	90.8	Very high	81.7	Confident	132 Å²	132	70.1 Å²	70.1	69%	0.691	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.2	172.2	-63.9	178.6	0	0	0	109.6	L285 G379	L285-L396 HydrophobicContact CD1-CD2 3.47Å; L285-L396 VanDerWaalsContact CD1-CD2 3.47Å; L285-L396 HydrophobicContact CD2-CD2 3.45Å; L285-L396 VanDerWaalsContact CD2-CD2 3.45Å; L285-L396 HydrophobicContact CG-CD2 4.1Å; G379-L396 WeakPolarHBondContact O-CA 3.4Å
397	Y	94.3	Very high	82.9	Confident	14 Å²	14	64.9 Å²	64.9	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.7	-174.2	-152.4	-105.7	0	0	0	111.8	V356 G379 M385 Y395 W399 D414 I416 F437	V356-Y397 HydrophobicContact CB-CE2 4.44Å; V356-Y397 HydrophobicContact CG1-CD1 4.2Å; V356-Y397 HydrophobicContact CG1-CD2 3.83Å; V356-Y397 HydrophobicContact CG1-CE1 4.01Å; V356-Y397 HydrophobicContact CG1-CE2 3.63Å; V356-Y397 HydrophobicContact CG1-CG 4.11Å; V356-Y397 HydrophobicContact CG2-CD2 4.13Å; V356-Y397 HydrophobicContact CG2-CE2 3.86Å; G379-Y397 PolarHBondContact N-O 2.9Å; G379-Y397 PolarHBondContact O-N 3.32Å; M385-Y397 HydrophobicContact CG-CE2 3.88Å; M385-Y397 HydrophobicContact SD-CE2 3.92Å; Y395-Y397 PolarHBondContact O-N 3.38Å; Y397-W399 HydrophobicContact CD1-CB 4.47Å; Y397-W399 HydrophobicContact CD1-CE3 4.25Å; Y397-W399 HydrophobicContact CE1-CB 4.46Å; Y397-D414 PolarHBondContact OH-OD1 3.12Å; Y397-I416 WeakPolarHBondContact OH-CG1 3.49Å; Y397-F437 HydrophobicContact CD1-CD1 4.18Å; Y397-F437 AromaticContact CD1-CE1 3.74Å; Y397-F437 HydrophobicContact CD1-CE1 3.74Å; Y397-F437 AromaticContact CE1-CE1 3.77Å; Y397-F437 HydrophobicContact CE1-CE1 3.77Å
398	A	96.5	Very high	84.5	Confident	3 Å²	3	61.1 Å²	61.1	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.5	172	0	0	0	0	0	110.2	V356 A360 V376 A377 L378	V356-A398 HydrophobicContact CG1-CB 4Å; V356-A398 WeakPolarHBondContact CG1-O 3.43Å; A360-A398 HydrophobicContact CB-CB 3.9Å; V376-A398 HydrophobicContact CG1-CB 4.33Å; A377-A398 VanDerWaalsContact O-CA 3.26Å; A377-A398 WeakPolarHBondContact O-CA 3.35Å; L378-A398 HydrophobicContact CD2-CB 3.59Å
399	W	97.8	Very high	86.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	173.2	175.7	70.6	98.5	0	0	0	109.9	V376 A377 Y397 F412 F437 N439 I440 V459	V376-W399 CarbonylContact C-O 3.57Å; V376-W399 WeakPolarHBondContact CA-O 3.45Å; A377-W399 HydrophobicContact CB-CD2 3.7Å; A377-W399 VanDerWaalsContact CB-CE2 3.41Å; A377-W399 HydrophobicContact CB-CE3 4.09Å; A377-W399 HydrophobicContact CB-CG 4.24Å; A377-W399 HydrophobicContact CB-CH2 3.98Å; A377-W399 HydrophobicContact CB-CZ2 3.58Å; A377-W399 HydrophobicContact CB-CZ3 4.23Å; A377-W399 PolarHBondContact N-O 2.81Å; A377-W399 PolarHBondContact O-N 3.28Å; A377-W399 VanDerWaalsContact O-N 3.12Å; Y397-W399 HydrophobicContact CD1-CB 4.47Å; Y397-W399 HydrophobicContact CD1-CE3 4.25Å; Y397-W399 HydrophobicContact CE1-CB 4.46Å; W399-F412 AromaticContact NE1-CD1 3.76Å; W399-F412 AromaticContact NE1-CG 3.86Å; W399-F437 HydrophobicContact CB-CD1 4.21Å; W399-F437 HydrophobicContact CB-CE1 3.47Å; W399-F437 VanDerWaalsContact CB-CE1 3.47Å; W399-F437 HydrophobicContact CB-CE2 4.4Å; W399-F437 HydrophobicContact CB-CZ 3.57Å; W399-F437 AromaticContact CD1-CE2 3.88Å; W399-F437 AromaticContact CD1-CZ 3.91Å; W399-F437 HydrophobicContact CD2-CB 4.41Å; W399-F437 AromaticContact CD2-CD1 3.43Å; W399-F437 HydrophobicContact CD2-CD1 3.43Å; W399-F437 VanDerWaalsContact CD2-CD1 3.43Å; W399-F437 HydrophobicContact CD2-CD2 4.35Å; W399-F437 AromaticContact CD2-CE1 3.68Å; W399-F437 HydrophobicContact CD2-CE1 3.68Å; W399-F437 AromaticContact CD2-CG 3.8Å; W399-F437 HydrophobicContact CD2-CG 3.8Å; W399-F437 HydrophobicContact CD2-CZ 4.23Å; W399-F437 AromaticContact CE2-CD1 3.89Å; W399-F437 AromaticContact CE2-CG 3.74Å; W399-F437 AromaticContact CE3-CD1 3.55Å; W399-F437 HydrophobicContact CE3-CD1 3.55Å; W399-F437 AromaticContact CE3-CE1 3.97Å; W399-F437 HydrophobicContact CE3-CE1 3.97Å; W399-F437 HydrophobicContact CE3-CG 4.21Å; W399-F437 AromaticContact CG-CD1 3.75Å; W399-F437 HydrophobicContact CG-CD1 3.75Å; W399-F437 HydrophobicContact CG-CD2 4.28Å; W399-F437 AromaticContact CG-CE1 3.49Å; W399-F437 HydrophobicContact CG-CE1 3.49Å; W399-F437 VanDerWaalsContact CG-CE1 3.49Å; W399-F437 HydrophobicContact CG-CE2 4.04Å; W399-F437 HydrophobicContact CG-CG 4.14Å; W399-F437 AromaticContact CG-CZ 3.62Å; W399-F437 HydrophobicContact CG-CZ 3.62Å; W399-F437 HydrophobicContact CH2-CB 4.12Å; W399-F437 HydrophobicContact CH2-CD1 4.5Å; W399-F437 HydrophobicContact CZ2-CB 3.87Å; W399-F437 HydrophobicContact CZ2-CD1 4.4Å; W399-F437 HydrophobicContact CZ2-CG 4.11Å; W399-F437 HydrophobicContact CZ3-CB 4.48Å; W399-F437 HydrophobicContact CZ3-CD1 4.1Å; W399-F437 AromaticContact NE1-CD2 3.97Å; W399-N439 WeakPolarHBondContact CH2-O 3.43Å; W399-I440 HydrophobicContact CH2-CB 3.98Å; W399-I440 HydrophobicContact CH2-CD1 4.41Å; W399-I440 HydrophobicContact CH2-CG1 4.16Å; W399-I440 HydrophobicContact CZ2-CB 4.18Å; W399-I440 HydrophobicContact CZ2-CD1 3.97Å; W399-I440 HydrophobicContact CZ2-CG1 4.21Å; W399-V459 HydrophobicContact CH2-CG2 4.35Å; W399-V459 HydrophobicContact CZ2-CG2 4.18Å
400	V	98.6	Very high	87.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.6	179.6	-174.5	0	0	0	0	110.2	A360 L363 C364 L367 A374 Y375 F412 W413	A360-V400 HydrophobicContact CB-CG2 4.34Å; A360-V400 WeakPolarHBondContact O-CG2 3.48Å; L363-V400 HydrophobicContact CB-CG2 4.04Å; L363-V400 HydrophobicContact CD2-CB 4.47Å; L363-V400 HydrophobicContact CD2-CG2 4.11Å; L363-V400 HydrophobicContact CG-CG2 4.06Å; C364-V400 HydrophobicContact CB-CG1 4.15Å; C364-V400 HydrophobicContact CB-CG2 4.01Å; L367-V400 HydrophobicContact CD1-CG1 3.83Å; A374-V400 HydrophobicContact CB-CG1 3.96Å; Y375-V400 CarbonylContact O-C 3.57Å; Y375-V400 WeakPolarHBondContact O-CA 3.33Å; Y375-V400 WeakPolarHBondContact O-CG1 3.32Å; V400-F412 CarbonylContact O-C 3.53Å; V400-F412 WeakPolarHBondContact O-CA 3.36Å; V400-W413 HydrophobicContact CB-CB 4.18Å; V400-W413 PolarHBondContact N-O 3.15Å; V400-W413 PolarHBondContact O-N 3.02Å
401	V	98.2	Very high	89.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.8	173.5	178.7	0	0	0	0	107.9	A374 Y375 A377 I410 F412 L443 F464	A374-V401 CarbonylContact C-O 3.57Å; A374-V401 WeakPolarHBondContact CA-O 3.48Å; Y375-V401 PolarHBondContact N-O 2.69Å; Y375-V401 PolarHBondContact O-N 3.38Å; A377-V401 HydrophobicContact CB-CG2 3.68Å; V401-I410 HydrophobicContact CG1-CG2 3.84Å; V401-F412 HydrophobicContact CB-CD1 4.34Å; V401-F412 HydrophobicContact CG1-CD1 4.18Å; V401-F412 HydrophobicContact CG1-CE1 4.04Å; V401-F412 HydrophobicContact CG2-CD1 3.74Å; V401-F412 HydrophobicContact CG2-CE1 3.84Å; V401-L443 HydrophobicContact CB-CD2 3.97Å; V401-L443 HydrophobicContact CG2-CD2 3.83Å; V401-F464 HydrophobicContact CG1-CD1 4.01Å; V401-F464 HydrophobicContact CG1-CE1 4.04Å; V401-F464 HydrophobicContact CG2-CE1 4.34Å
402	V	97.5	Very high	90.5	Very high	18 Å²	18	48.4 Å²	48.4	11%	0.109	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.7	173.9	168.8	0	0	0	0	108.7	L367 I372 E373 A374 T411	L367-V402 HydrophobicContact CD1-CG2 3.78Å; I372-V402 HydrophobicContact CG2-CB 4.27Å; I372-V402 HydrophobicContact CG2-CG1 3.35Å; I372-V402 HydrophobicContact CG2-CG2 3.95Å; E373-V402 WeakPolarHBondContact O-CA 3.49Å; A374-V402 HydrophobicContact CB-CG2 4.06Å; V402-T411 WeakPolarHBondContact CB-OG1 3.18Å; V402-T411 PolarHBondContact N-O 2.91Å; V402-T411 PolarHBondContact O-N 3.44Å
403	C	94.7	Very high	91.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139	177.8	-61.4	0	0	0	0	110	E373 Y407 I410	E373-C403 PolarHBondContact O-N 2.95Å; C403-Y407 HydrophobicContact CB-CD1 3.66Å; C403-Y407 HydrophobicContact CB-CE1 3.64Å; C403-I410 HydrophobicContact CB-CD1 4.15Å
404	S	91.6	Very high	92.8	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	20%	0.195	C	C	.	.			trans	-71.4	159	160.1	58.7	0	0	0	0	110.7	D406 Y407 Q408 R409	S404-D406 WeakPolarHBondContact CB-OD1 3.49Å; S404-D406 PolarHBondContact O-N 3.35Å; S404-D406 PolarHBondContact OG-OD1 2.92Å; S404-Y407 PolarHBondContact O-N 3.28Å; S404-Q408 PolarHBondContact OG-N 3Å; S404-R409 PolarHBondContact N-O 2.93Å; S404-R409 PolarHBondContact OG-N 3.48Å; S404-R409 PolarHBondContact OG-O 3.21Å
405	D	87.8	Confident	93.6	Very high	140 Å²	140	37.3 Å²	37.3	75%	0.749	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.7	-178.3	-58.6	-29.2	0	0	0	113.9
406	D	88.6	Confident	94	Very high	71 Å²	71	33.4 Å²	33.4	38%	0.38	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	0.6	179.8	65.5	-4.5	0	0	0	114.1	S404 Q408	S404-D406 WeakPolarHBondContact CB-OD1 3.49Å; S404-D406 PolarHBondContact O-N 3.35Å; S404-D406 PolarHBondContact OG-OD1 2.92Å; D406-Q408 HydrophobicContact CB-CG 4.05Å; D406-Q408 PolarHBondContact O-N 2.9Å; D406-Q408 VanDerWaalsContact O-N 3.11Å; D406-Q408 WeakPolarHBondContact OD1-CB 3.48Å; D406-Q408 PolarHBondContact OD1-N 2.89Å; D406-Q408 WeakPolarHBondContact OD2-CB 3.41Å; D406-Q408 WeakPolarHBondContact OD2-CG 3.15Å
407	Y	89.9	Confident	94	Very high	23 Å²	23	29 Å²	29	9%	0.09	14%	0.144	C	C	.	.	S	Bend	trans	54.7	17.8	-172.9	-58.1	-82.7	0	0	0	114.9	E373 C403 S404 I410 F464 L466 K467	E373-Y407 PolarHBondContact OE1-OH 3.26Å; C403-Y407 HydrophobicContact CB-CD1 3.66Å; C403-Y407 HydrophobicContact CB-CE1 3.64Å; S404-Y407 PolarHBondContact O-N 3.28Å; Y407-I410 HydrophobicContact CD1-CD1 4.49Å; Y407-F464 WeakPolarHBondContact CD1-O 3.46Å; Y407-L466 HydrophobicContact CE1-CB 4.06Å; Y407-L466 HydrophobicContact CE1-CD1 4.25Å; Y407-L466 HydrophobicContact CE1-CG 3.86Å; Y407-K467 HydrophobicContact CE2-CD 3.81Å; Y407-K467 HydrophobicContact CE2-CG 3.88Å
408	Q	88.5	Confident	93.9	Very high	61 Å²	61	28.8 Å²	28.8	29%	0.285	15%	0.146	S	C	.	.	S	Bend	trans	-83.1	-20.4	177.9	-62	-59.5	-34.3	0	0	113.1	S404 D406 G426	S404-Q408 PolarHBondContact OG-N 3Å; D406-Q408 HydrophobicContact CB-CG 4.05Å; D406-Q408 PolarHBondContact O-N 2.9Å; D406-Q408 VanDerWaalsContact O-N 3.11Å; D406-Q408 WeakPolarHBondContact OD1-CB 3.48Å; D406-Q408 PolarHBondContact OD1-N 2.89Å; D406-Q408 WeakPolarHBondContact OD2-CB 3.41Å; D406-Q408 WeakPolarHBondContact OD2-CG 3.15Å; Q408-G426 PolarHBondContact O-N 3.3Å; Q408-G426 VanDerWaalsContact O-N 3.16Å; Q408-G426 PolarHBondContact OE1-O 2.84Å; Q408-G426 VanDerWaalsContact OE1-O 3.06Å
409	R	90.9	Very high	93.7	Very high	152 Å²	152	33.8 Å²	33.8	57%	0.574	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.1	174.2	-175.1	-174.2	-59.3	-161.1	0.3	109.1	S404 T411 T424	S404-R409 PolarHBondContact N-O 2.93Å; S404-R409 PolarHBondContact OG-N 3.48Å; S404-R409 PolarHBondContact OG-O 3.21Å; R409-T411 HydrophobicContact CG-CG2 4.35Å; R409-T424 WeakPolarHBondContact CA-O 3.42Å
410	I	94.6	Very high	93.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130	175.7	-52.1	-64.3	0	0	0	107.8	V401 C403 Y407 F412 H423 T424 F464	V401-I410 HydrophobicContact CG1-CG2 3.84Å; C403-I410 HydrophobicContact CB-CD1 4.15Å; Y407-I410 HydrophobicContact CD1-CD1 4.49Å; I410-F412 HydrophobicContact CG2-CD1 4.16Å; I410-F412 HydrophobicContact CG2-CE1 3.58Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; I410-H423 HydrophobicContact CB-CB 4.3Å; I410-H423 HydrophobicContact CG2-CB 4.28Å; I410-H423 PolarHBondContact O-N 3.1Å; I410-T424 HydrophobicContact CB-CG2 3.56Å; I410-T424 HydrophobicContact CG1-CG2 3.46Å; I410-T424 VanDerWaalsContact CG1-CG2 3.46Å; I410-T424 PolarHBondContact N-O 2.99Å; I410-T424 PolarHBondContact O-N 3.22Å; I410-F464 HydrophobicContact CD1-CB 3.54Å; I410-F464 HydrophobicContact CD1-CG 4.29Å; I410-F464 HydrophobicContact CG1-CB 3.74Å; I410-F464 HydrophobicContact CG1-CD2 4.35Å; I410-F464 HydrophobicContact CG1-CG 4.16Å; I410-F464 HydrophobicContact CG2-CB 4.43Å; I410-F464 HydrophobicContact CG2-CD1 4.27Å; I410-F464 HydrophobicContact CG2-CD2 4.2Å; I410-F464 HydrophobicContact CG2-CG 4.04Å
411	T	95	Very high	93.1	Very high	17 Å²	17	34.6 Å²	34.6	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.7	175.4	60.6	0	0	0	0	110.4	V402 R409 W413 Y421 I422	V402-T411 WeakPolarHBondContact CB-OG1 3.18Å; V402-T411 PolarHBondContact N-O 2.91Å; V402-T411 PolarHBondContact O-N 3.44Å; R409-T411 HydrophobicContact CG-CG2 4.35Å; T411-W413 PolarHBondContact OG1-NE1 3.32Å; T411-W413 VanDerWaalsContact OG1-NE1 3.11Å; T411-Y421 CarbonylContact C-O 3.49Å; T411-Y421 VanDerWaalsContact CA-O 3.27Å; T411-Y421 WeakPolarHBondContact CA-O 3.41Å; T411-I422 HydrophobicContact CG2-CG1 4.2Å
412	F	96.4	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.1	176.5	-55.2	-32	0	0	0	109.6	W399 V400 V401 I410 C420 Y421 H423 F437 V459 F464	W399-F412 AromaticContact NE1-CD1 3.76Å; W399-F412 AromaticContact NE1-CG 3.86Å; V400-F412 CarbonylContact O-C 3.53Å; V400-F412 WeakPolarHBondContact O-CA 3.36Å; V401-F412 HydrophobicContact CB-CD1 4.34Å; V401-F412 HydrophobicContact CG1-CD1 4.18Å; V401-F412 HydrophobicContact CG1-CE1 4.04Å; V401-F412 HydrophobicContact CG2-CD1 3.74Å; V401-F412 HydrophobicContact CG2-CE1 3.84Å; I410-F412 HydrophobicContact CG2-CD1 4.16Å; I410-F412 HydrophobicContact CG2-CE1 3.58Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; F412-C420 CarbonylContact O-C 3.59Å; F412-C420 WeakPolarHBondContact O-CA 3.06Å; F412-Y421 PolarHBondContact N-O 3.45Å; F412-Y421 PolarHBondContact O-N 3.34Å; F412-H423 HydrophobicContact CD1-CB 4.41Å; F412-H423 HydrophobicContact CD2-CB 3.86Å; F412-H423 HydrophobicContact CE1-CB 4.02Å; F412-H423 HydrophobicContact CE2-CB 3.42Å; F412-H423 VanDerWaalsContact CE2-CB 3.42Å; F412-H423 AromaticContact CE2-CD2 3.98Å; F412-H423 AromaticContact CE2-CG 3.32Å; F412-H423 AromaticContact CE2-ND1 3.48Å; F412-H423 WeakPolarHBondContact CE2-ND1 3.32Å; F412-H423 HydrophobicContact CG-CB 4.35Å; F412-H423 HydrophobicContact CZ-CB 3.51Å; F412-H423 AromaticContact CZ-CD2 3.47Å; F412-H423 VanDerWaalsContact CZ-CD2 3.47Å; F412-H423 WeakPolarHBondContact CZ-CD2 3.46Å; F412-H423 AromaticContact CZ-CG 3.28Å; F412-H423 AromaticContact CZ-ND1 3.79Å; F412-F437 HydrophobicContact CB-CD2 3.88Å; F412-F437 HydrophobicContact CB-CE2 3.55Å; F412-F437 AromaticContact CD2-CD2 3.64Å; F412-F437 HydrophobicContact CD2-CD2 3.64Å; F412-F437 HydrophobicContact CD2-CE2 4.19Å; F412-F437 HydrophobicContact CE2-CD2 4.45Å; F412-F437 HydrophobicContact CG-CD2 4.04Å; F412-F437 HydrophobicContact CG-CE2 4.22Å; F412-V459 HydrophobicContact CE2-CG1 3.46Å; F412-V459 VanDerWaalsContact CE2-CG1 3.46Å; F412-V459 HydrophobicContact CZ-CG1 3.64Å; F412-F464 AromaticContact CE1-CE1 4Å; F412-F464 HydrophobicContact CE1-CE1 4Å; F412-F464 HydrophobicContact CE1-CE2 4.19Å; F412-F464 AromaticContact CE1-CZ 3.67Å; F412-F464 HydrophobicContact CE1-CZ 3.67Å; F412-F464 HydrophobicContact CZ-CE1 4.32Å; F412-F464 AromaticContact CZ-CE2 3.82Å; F412-F464 HydrophobicContact CZ-CE2 3.82Å; F412-F464 AromaticContact CZ-CZ 3.53Å; F412-F464 HydrophobicContact CZ-CZ 3.53Å
413	W	97	Very high	92.5	Very high	14 Å²	14	35.4 Å²	35.4	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.5	-177.3	-66.8	67.8	0	0	0	108.1	P316 Y317 A320 L363 L367 V400 T411 S415 C420	P316-W413 HydrophobicContact CB-CH2 4.11Å; Y317-W413 AromaticContact CD1-CH2 3.68Å; Y317-W413 HydrophobicContact CD1-CH2 3.68Å; Y317-W413 HydrophobicContact CD1-CZ3 4.03Å; Y317-W413 AromaticContact CE1-CH2 3.65Å; Y317-W413 HydrophobicContact CE1-CH2 3.65Å; Y317-W413 HydrophobicContact CE1-CZ2 4.24Å; Y317-W413 HydrophobicContact CE1-CZ3 4.34Å; Y317-W413 HydrophobicContact CG-CH2 4.15Å; A320-W413 HydrophobicContact CB-CE3 3.55Å; A320-W413 HydrophobicContact CB-CZ3 3.54Å; L363-W413 HydrophobicContact CD2-CB 3.99Å; L367-W413 HydrophobicContact CD1-CD2 4.46Å; V400-W413 HydrophobicContact CB-CB 4.18Å; V400-W413 PolarHBondContact N-O 3.15Å; V400-W413 PolarHBondContact O-N 3.02Å; T411-W413 PolarHBondContact OG1-NE1 3.32Å; T411-W413 VanDerWaalsContact OG1-NE1 3.11Å; W413-S415 PolarHBondContact O-N 3.01Å; W413-C420 HydrophobicContact CD2-CB 4.16Å; W413-C420 HydrophobicContact CE3-CB 4.31Å; W413-C420 HydrophobicContact CZ2-CB 4.45Å
414	D	95.3	Very high	92.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.			trans	-82.9	111.3	173.2	-179.3	16.1	0	0	0	109.5	Y397 I416 T417 G418 R419 Y421 F437	Y397-D414 PolarHBondContact OH-OD1 3.12Å; D414-I416 PolarHBondContact O-N 2.58Å; D414-I416 PolarHBondContact OD1-N 2.99Å; D414-T417 WeakPolarHBondContact CB-OG1 3.46Å; D414-T417 VanDerWaalsContact CG-OG1 3.29Å; D414-T417 VanDerWaalsContact OD2-CB 3.28Å; D414-T417 WeakPolarHBondContact OD2-CB 3.4Å; D414-T417 WeakPolarHBondContact OD2-CG2 3.41Å; D414-T417 PolarHBondContact OD2-N 3.33Å; D414-T417 PolarHBondContact OD2-OG1 3.44Å; D414-G418 WeakPolarHBondContact O-CA 3.18Å; D414-G418 PolarHBondContact O-N 3.23Å; D414-R419 PolarHBondContact N-O 2.92Å; D414-Y421 HydrophobicContact CB-CE2 4.32Å; D414-F437 HydrophobicContact CB-CZ 4.13Å
415	S	95.9	Very high	91.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.8	-177.7	64.2	0	0	0	0	113.8	S324 H359 A360 W413	S324-S415 WeakPolarHBondContact CA-O 2.93Å; S324-S415 PolarHBondContact N-O 3.28Å; H359-S415 WeakPolarHBondContact CB-OG 3.38Å; A360-S415 PolarHBondContact N-OG 2.94Å; W413-S415 PolarHBondContact O-N 3.01Å
416	I	94.5	Very high	90.2	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.097	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-46.9	179.9	-52.9	-55.3	0	0	0	112	S324 Y328 V356 H359 M385 Y397 D414	S324-I416 WeakPolarHBondContact CB-O 3.4Å; Y328-I416 HydrophobicContact CD2-CD1 4.03Å; Y328-I416 HydrophobicContact CD2-CG1 4.48Å; Y328-I416 HydrophobicContact CG-CD1 4.42Å; Y328-I416 HydrophobicContact CG-CG2 4.29Å; V356-I416 HydrophobicContact CG1-CG1 4.36Å; H359-I416 HydrophobicContact CB-CD1 3.56Å; H359-I416 WeakPolarHBondContact ND1-CD1 3.3Å; M385-I416 HydrophobicContact CE-CB 3.63Å; M385-I416 HydrophobicContact CE-CG1 4.04Å; M385-I416 HydrophobicContact CE-CG2 3.19Å; Y397-I416 WeakPolarHBondContact OH-CG1 3.49Å; D414-I416 PolarHBondContact O-N 2.58Å; D414-I416 PolarHBondContact OD1-N 2.99Å
417	T	91.4	Very high	88.6	Confident	40 Å²	40	35.2 Å²	35.2	25%	0.245	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.4	179.2	64.2	0	0	0	0	112.9	D414 R419	D414-T417 WeakPolarHBondContact CB-OG1 3.46Å; D414-T417 VanDerWaalsContact CG-OG1 3.29Å; D414-T417 VanDerWaalsContact OD2-CB 3.28Å; D414-T417 WeakPolarHBondContact OD2-CB 3.4Å; D414-T417 WeakPolarHBondContact OD2-CG2 3.41Å; D414-T417 PolarHBondContact OD2-N 3.33Å; D414-T417 PolarHBondContact OD2-OG1 3.44Å; T417-R419 PolarHBondContact O-N 2.94Å; T417-R419 WeakPolarHBondContact OG1-CB 3.2Å; T417-R419 PolarHBondContact OG1-N 3.27Å
418	G	92.1	Very high	86.7	Confident	9 Å²	9	40.1 Å²	40.1	9%	0.093	20%	0.203	C	C	.	.			trans	76.4	4.4	-173	0	0	0	0	0	113.6	S324 D414	S324-G418 VanDerWaalsContact CB-N 3.32Å; D414-G418 WeakPolarHBondContact O-CA 3.18Å; D414-G418 PolarHBondContact O-N 3.23Å
419	R	91.5	Very high	85.2	Confident	107 Å²	107	45.3 Å²	45.3	40%	0.404	23%	0.227	S	C	.	.			trans	-77.6	138.8	-177.2	-70.8	177.8	173.7	172.5	-2.1	111.5	D414 T417 Y421	D414-R419 PolarHBondContact N-O 2.92Å; T417-R419 PolarHBondContact O-N 2.94Å; T417-R419 WeakPolarHBondContact OG1-CB 3.2Å; T417-R419 PolarHBondContact OG1-N 3.27Å; R419-Y421 HydrophobicContact CB-CE2 3.69Å; R419-Y421 VanDerWaalsContact CD-OH 3.28Å; R419-Y421 WeakPolarHBondContact CD-OH 3.44Å
420	C	92.4	Very high	83.8	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	171.1	178.8	0	0	0	0	109.8	F412 W413 L556 S557	F412-C420 CarbonylContact O-C 3.59Å; F412-C420 WeakPolarHBondContact O-CA 3.06Å; W413-C420 HydrophobicContact CD2-CB 4.16Å; W413-C420 HydrophobicContact CE3-CB 4.31Å; W413-C420 HydrophobicContact CZ2-CB 4.45Å; C420-L556 HydrophobicContact CB-CD1 3.95Å; C420-L556 VanDerWaalsContact O-CD1 3.29Å; C420-L556 WeakPolarHBondContact O-CD1 3.26Å; C420-L556 VanDerWaalsContact SG-CD1 3.52Å; C420-S557 PolarHBondContact O-N 2.9Å
421	Y	91.9	Very high	82.8	Confident	14 Å²	14	48.6 Å²	48.6	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.3	178.5	-58.4	-87.9	0	0	0	108.8	T411 F412 D414 R419 H423 P436 F437 S557 N558	T411-Y421 CarbonylContact C-O 3.49Å; T411-Y421 VanDerWaalsContact CA-O 3.27Å; T411-Y421 WeakPolarHBondContact CA-O 3.41Å; F412-Y421 PolarHBondContact N-O 3.45Å; F412-Y421 PolarHBondContact O-N 3.34Å; D414-Y421 HydrophobicContact CB-CE2 4.32Å; R419-Y421 HydrophobicContact CB-CE2 3.69Å; R419-Y421 VanDerWaalsContact CD-OH 3.28Å; R419-Y421 WeakPolarHBondContact CD-OH 3.44Å; Y421-H423 PolarHBondContact O-N 3.05Å; Y421-P436 HydrophobicContact CE2-CG 4.02Å; Y421-F437 HydrophobicContact CD2-CE2 4.12Å; Y421-S557 WeakPolarHBondContact CE1-OG 3.21Å; Y421-N558 WeakPolarHBondContact CA-OD1 3.43Å; Y421-N558 HydrophobicContact CD1-CB 4.14Å
422	I	90.9	Very high	82.1	Confident	30 Å²	30	52 Å²	52	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.8	162.6	-72	174.7	0	0	0	106.9	T411 T425 Y433 L556 N558	T411-I422 HydrophobicContact CG2-CG1 4.2Å; I422-T425 HydrophobicContact CD1-CG2 4.46Å; I422-T425 HydrophobicContact CG2-CG2 3.44Å; I422-T425 VanDerWaalsContact CG2-CG2 3.44Å; I422-Y433 HydrophobicContact CG2-CD2 3.74Å; I422-Y433 HydrophobicContact CG2-CE2 4.01Å; I422-Y433 HydrophobicContact CG2-CG 4.34Å; I422-Y433 WeakPolarHBondContact O-CB 3.44Å; I422-L556 HydrophobicContact CB-CD2 4.35Å; I422-L556 HydrophobicContact CD1-CD1 4.44Å; I422-L556 HydrophobicContact CD1-CD2 3.31Å; I422-L556 HydrophobicContact CG1-CD1 3.93Å; I422-L556 HydrophobicContact CG1-CD2 3.58Å; I422-L556 HydrophobicContact CG1-CG 4.38Å; I422-N558 PolarHBondContact N-ND2 2.81Å; I422-N558 PolarHBondContact N-OD1 2.63Å; I422-N558 PolarHBondContact O-ND2 3.24Å
423	H	90.8	Very high	81.5	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.023	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-49.5	174.2	176.1	52.4	0	0	0	111.1	I410 F412 Y421 I432 Y433 V459 F464	I410-H423 HydrophobicContact CB-CB 4.3Å; I410-H423 HydrophobicContact CG2-CB 4.28Å; I410-H423 PolarHBondContact O-N 3.1Å; F412-H423 HydrophobicContact CD1-CB 4.41Å; F412-H423 HydrophobicContact CD2-CB 3.86Å; F412-H423 HydrophobicContact CE1-CB 4.02Å; F412-H423 HydrophobicContact CE2-CB 3.42Å; F412-H423 VanDerWaalsContact CE2-CB 3.42Å; F412-H423 AromaticContact CE2-CD2 3.98Å; F412-H423 AromaticContact CE2-CG 3.32Å; F412-H423 AromaticContact CE2-ND1 3.48Å; F412-H423 WeakPolarHBondContact CE2-ND1 3.32Å; F412-H423 HydrophobicContact CG-CB 4.35Å; F412-H423 HydrophobicContact CZ-CB 3.51Å; F412-H423 AromaticContact CZ-CD2 3.47Å; F412-H423 VanDerWaalsContact CZ-CD2 3.47Å; F412-H423 WeakPolarHBondContact CZ-CD2 3.46Å; F412-H423 AromaticContact CZ-CG 3.28Å; F412-H423 AromaticContact CZ-ND1 3.79Å; Y421-H423 PolarHBondContact O-N 3.05Å; H423-I432 WeakPolarHBondContact O-CA 3.35Å; H423-Y433 PolarHBondContact O-N 3.07Å; H423-V459 PolarHBondContact CE1-O 3.23Å; H423-V459 PolarHBondContact NE2-O 3.06Å; H423-F464 AromaticContact CD2-CD2 3.89Å; H423-F464 AromaticContact CD2-CE2 3.55Å; H423-F464 AromaticContact NE2-CE2 3.55Å
424	T	88.5	Confident	80.9	Confident	13 Å²	13	58.5 Å²	58.5	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.8	177.6	161.6	0	0	0	0	110	R409 I410 K431	R409-T424 WeakPolarHBondContact CA-O 3.42Å; I410-T424 HydrophobicContact CB-CG2 3.56Å; I410-T424 HydrophobicContact CG1-CG2 3.46Å; I410-T424 VanDerWaalsContact CG1-CG2 3.46Å; I410-T424 PolarHBondContact N-O 2.99Å; I410-T424 PolarHBondContact O-N 3.22Å; T424-K431 WeakPolarHBondContact CA-O 3.39Å
425	T	77.8	Confident	80.7	Confident	36 Å²	36	59.8 Å²	59.8	22%	0.221	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.6	167.5	57.3	0	0	0	0	108.6	I422 Y433	I422-T425 HydrophobicContact CD1-CG2 4.46Å; I422-T425 HydrophobicContact CG2-CG2 3.44Å; I422-T425 VanDerWaalsContact CG2-CG2 3.44Å; T425-Y433 HydrophobicContact CG2-CE2 4.47Å
426	G	61.2	Low	80.4	Confident	22 Å²	22	59.9 Å²	59.9	23%	0.227	31%	0.312	C	S	.	.			trans	139.5	140	144.2	0	0	0	0	0	117.8	Q408 C428	Q408-G426 PolarHBondContact O-N 3.3Å; Q408-G426 VanDerWaalsContact O-N 3.16Å; Q408-G426 PolarHBondContact OE1-O 2.84Å; Q408-G426 VanDerWaalsContact OE1-O 3.06Å; G426-C428 VanDerWaalsContact C-N 3.28Å; G426-C428 PolarHBondContact O-N 3Å
427	F	54.9	Low	80.4	Confident	173 Å²	173	59.2 Å²	59.2	76%	0.759	31%	0.308	S	S	*	.	S	Bend	trans	-68.2	-11.9	173.9	-63.5	-92	0	0	0	114.9
428	C	49.3	Very low	80.6	Confident	126 Å²	126	61.1 Å²	61.1	85%	0.851	31%	0.311	S	S	*	.	S	Bend	trans	-137	-45.9	-172.7	-59.6	0	0	0	0	114.6	G426	G426-C428 VanDerWaalsContact C-N 3.28Å; G426-C428 PolarHBondContact O-N 3Å
429	E	56.7	Low	80.7	Confident	169 Å²	169	61.9 Å²	61.9	79%	0.79	31%	0.314	S	S	*	.			trans	-131.8	118.4	175.2	-68.5	-175.9	177.3	0	0	109.6	K431	E429-K431 PolarHBondContact O-N 3.18Å
430	Q	62.5	Low	81	Confident	116 Å²	116	56.8 Å²	56.8	54%	0.542	29%	0.294	S	S	.	.			trans	-74.1	88.6	179.3	-70	-179	-12.3	0	0	109.8	I432	Q430-I432 PolarHBondContact O-N 2.99Å
431	K	73.3	Confident	81.2	Confident	106 Å²	106	56.7 Å²	56.7	46%	0.461	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118	170.1	-171.2	172.4	173.3	-174.1	0	108.5	T424 E429 Y433 D560	T424-K431 WeakPolarHBondContact CA-O 3.39Å; E429-K431 PolarHBondContact O-N 3.18Å; K431-Y433 HydrophobicContact CB-CE2 4.07Å; K431-Y433 HydrophobicContact CD-CE1 4.37Å; K431-Y433 HydrophobicContact CD-CE2 4.16Å; K431-Y433 HydrophobicContact CG-CD2 4.48Å; K431-Y433 HydrophobicContact CG-CE2 3.91Å; K431-Y433 WeakPolarHBondContact O-CD2 3.39Å; K431-D560 IonicContact NZ-OD2 2.73Å; K431-D560 PolarHBondContact NZ-OD2 3.38Å
432	I	79.5	Confident	81.5	Confident	89 Å²	89	56 Å²	56	46%	0.456	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	176.8	-60.3	167.4	0	0	0	108.6	H423 Q430 V460	H423-I432 WeakPolarHBondContact O-CA 3.35Å; Q430-I432 PolarHBondContact O-N 2.99Å; I432-V460 WeakPolarHBondContact CD1-O 3.43Å
433	Y	84	Confident	81.8	Confident	45 Å²	45	54.6 Å²	54.6	18%	0.176	28%	0.284	C	S	.	.			trans	-105.1	145.5	179.6	-68.8	-97.1	0	0	0	110.8	I422 H423 T425 K431	I422-Y433 HydrophobicContact CG2-CD2 3.74Å; I422-Y433 HydrophobicContact CG2-CE2 4.01Å; I422-Y433 HydrophobicContact CG2-CG 4.34Å; I422-Y433 WeakPolarHBondContact O-CB 3.44Å; H423-Y433 PolarHBondContact O-N 3.07Å; T425-Y433 HydrophobicContact CG2-CE2 4.47Å; K431-Y433 HydrophobicContact CB-CE2 4.07Å; K431-Y433 HydrophobicContact CD-CE1 4.37Å; K431-Y433 HydrophobicContact CD-CE2 4.16Å; K431-Y433 HydrophobicContact CG-CD2 4.48Å; K431-Y433 HydrophobicContact CG-CE2 3.91Å; K431-Y433 WeakPolarHBondContact O-CD2 3.39Å
434	P	85	Confident	82.2	Confident	105 Å²	105	54.3 Å²	54.3	68%	0.682	28%	0.283	S	S	*	.			trans	-66.2	144	179.6	28.1	-34.1	0	0	0	110.8	N558	P434-N558 PolarHBondContact O-ND2 3.49Å
435	S	90.1	Very high	82.7	Confident	27 Å²	27	54.1 Å²	54.1	19%	0.189	28%	0.281	C	S	.	.			trans	-146.8	160.4	176.1	84.5	0	0	0	0	109	F437	S435-F437 PolarHBondContact O-N 3.18Å; S435-F437 PolarHBondContact OG-N 2.77Å
436	P	91.1	Very high	83.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.019	28%	0.276	C	S	.	.	S	Bend	trans	-71.4	-9.8	178.4	27.7	-35.3	0	0	0	114.8	S381 Q382 L383 M390 Y421	S381-P436 WeakPolarHBondContact CA-O 3.32Å; S381-P436 PolarHBondContact OG-O 2.85Å; Q382-P436 PolarHBondContact N-O 3.25Å; L383-P436 HydrophobicContact CD1-CB 3.42Å; L383-P436 VanDerWaalsContact CD1-CB 3.42Å; L383-P436 HydrophobicContact CD1-CG 3.58Å; L383-P436 HydrophobicContact CD2-CB 4.19Å; L383-P436 HydrophobicContact CG-CB 3.41Å; L383-P436 VanDerWaalsContact CG-CB 3.41Å; L383-P436 HydrophobicContact CG-CG 4.15Å; M390-P436 HydrophobicContact CE-CB 4.09Å; M390-P436 HydrophobicContact SD-CB 4.3Å; Y421-P436 HydrophobicContact CE2-CG 4.02Å
437	F	94.6	Very high	85.4	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.4	-173.3	-49.3	-67	0	0	0	110.7	Y397 W399 F412 D414 Y421 S435 V459	Y397-F437 HydrophobicContact CD1-CD1 4.18Å; Y397-F437 AromaticContact CD1-CE1 3.74Å; Y397-F437 HydrophobicContact CD1-CE1 3.74Å; Y397-F437 AromaticContact CE1-CE1 3.77Å; Y397-F437 HydrophobicContact CE1-CE1 3.77Å; W399-F437 HydrophobicContact CB-CD1 4.21Å; W399-F437 HydrophobicContact CB-CE1 3.47Å; W399-F437 VanDerWaalsContact CB-CE1 3.47Å; W399-F437 HydrophobicContact CB-CE2 4.4Å; W399-F437 HydrophobicContact CB-CZ 3.57Å; W399-F437 AromaticContact CD1-CE2 3.88Å; W399-F437 AromaticContact CD1-CZ 3.91Å; W399-F437 HydrophobicContact CD2-CB 4.41Å; W399-F437 AromaticContact CD2-CD1 3.43Å; W399-F437 HydrophobicContact CD2-CD1 3.43Å; W399-F437 VanDerWaalsContact CD2-CD1 3.43Å; W399-F437 HydrophobicContact CD2-CD2 4.35Å; W399-F437 AromaticContact CD2-CE1 3.68Å; W399-F437 HydrophobicContact CD2-CE1 3.68Å; W399-F437 AromaticContact CD2-CG 3.8Å; W399-F437 HydrophobicContact CD2-CG 3.8Å; W399-F437 HydrophobicContact CD2-CZ 4.23Å; W399-F437 AromaticContact CE2-CD1 3.89Å; W399-F437 AromaticContact CE2-CG 3.74Å; W399-F437 AromaticContact CE3-CD1 3.55Å; W399-F437 HydrophobicContact CE3-CD1 3.55Å; W399-F437 AromaticContact CE3-CE1 3.97Å; W399-F437 HydrophobicContact CE3-CE1 3.97Å; W399-F437 HydrophobicContact CE3-CG 4.21Å; W399-F437 AromaticContact CG-CD1 3.75Å; W399-F437 HydrophobicContact CG-CD1 3.75Å; W399-F437 HydrophobicContact CG-CD2 4.28Å; W399-F437 AromaticContact CG-CE1 3.49Å; W399-F437 HydrophobicContact CG-CE1 3.49Å; W399-F437 VanDerWaalsContact CG-CE1 3.49Å; W399-F437 HydrophobicContact CG-CE2 4.04Å; W399-F437 HydrophobicContact CG-CG 4.14Å; W399-F437 AromaticContact CG-CZ 3.62Å; W399-F437 HydrophobicContact CG-CZ 3.62Å; W399-F437 HydrophobicContact CH2-CB 4.12Å; W399-F437 HydrophobicContact CH2-CD1 4.5Å; W399-F437 HydrophobicContact CZ2-CB 3.87Å; W399-F437 HydrophobicContact CZ2-CD1 4.4Å; W399-F437 HydrophobicContact CZ2-CG 4.11Å; W399-F437 HydrophobicContact CZ3-CB 4.48Å; W399-F437 HydrophobicContact CZ3-CD1 4.1Å; W399-F437 AromaticContact NE1-CD2 3.97Å; F412-F437 HydrophobicContact CB-CD2 3.88Å; F412-F437 HydrophobicContact CB-CE2 3.55Å; F412-F437 AromaticContact CD2-CD2 3.64Å; F412-F437 HydrophobicContact CD2-CD2 3.64Å; F412-F437 HydrophobicContact CD2-CE2 4.19Å; F412-F437 HydrophobicContact CE2-CD2 4.45Å; F412-F437 HydrophobicContact CG-CD2 4.04Å; F412-F437 HydrophobicContact CG-CE2 4.22Å; D414-F437 HydrophobicContact CB-CZ 4.13Å; Y421-F437 HydrophobicContact CD2-CE2 4.12Å; S435-F437 PolarHBondContact O-N 3.18Å; S435-F437 PolarHBondContact OG-N 2.77Å; F437-V459 HydrophobicContact CB-CG2 4.17Å
438	Y	93.6	Very high	87.4	Confident	80 Å²	80	46.8 Å²	46.8	31%	0.314	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-59.2	-167.6	-170.7	-107.6	0	0	0	113.3	T380 K458 V459	T380-Y438 PolarHBondContact O-N 3.49Å; Y438-K458 CarbonylContact O-C 3.48Å; Y438-K458 WeakPolarHBondContact O-CA 3.27Å; Y438-V459 WeakPolarHBondContact O-CG2 3.11Å; Y438-V459 PolarHBondContact O-N 2.93Å
439	N	95.2	Very high	89.8	Confident	26 Å²	26	40.8 Å²	40.8	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.1	172.1	-56.4	101	0	0	0	111.2	G379 T380 W399 D457	G379-N439 CarbonylContact C-O 3.5Å; G379-N439 WeakPolarHBondContact CA-O 3.21Å; T380-N439 HydrophobicContact CG2-CB 4.33Å; T380-N439 PolarHBondContact N-O 3.49Å; T380-N439 WeakPolarHBondContact OG1-CB 3.39Å; T380-N439 PolarHBondContact OG1-N 3.29Å; T380-N439 PolarHBondContact OG1-OD1 3.33Å; W399-N439 WeakPolarHBondContact CH2-O 3.43Å; N439-D457 CarbonylContact C-O 3.6Å; N439-D457 VanDerWaalsContact CA-O 3.25Å; N439-D457 WeakPolarHBondContact CA-O 3.39Å; N439-D457 WeakPolarHBondContact CB-OD2 3.26Å; N439-D457 VanDerWaalsContact ND2-CG 3.26Å; N439-D457 PolarHBondContact ND2-OD1 3.45Å; N439-D457 PolarHBondContact ND2-OD2 2.92Å; N439-D457 VanDerWaalsContact ND2-OD2 3.15Å
440	I	96.9	Very high	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.4	172.5	-174.3	170.8	0	0	0	110.5	A377 W399 L443 N452 D457 V459 C462 F464 W472	A377-I440 HydrophobicContact CB-CD1 3.68Å; A377-I440 HydrophobicContact CB-CG1 4.23Å; W399-I440 HydrophobicContact CH2-CB 3.98Å; W399-I440 HydrophobicContact CH2-CD1 4.41Å; W399-I440 HydrophobicContact CH2-CG1 4.16Å; W399-I440 HydrophobicContact CZ2-CB 4.18Å; W399-I440 HydrophobicContact CZ2-CD1 3.97Å; W399-I440 HydrophobicContact CZ2-CG1 4.21Å; I440-L443 HydrophobicContact CD1-CD1 4.39Å; I440-L443 HydrophobicContact CD1-CD2 3.88Å; I440-L443 HydrophobicContact CD1-CG 3.98Å; I440-N452 PolarHBondContact O-ND2 2.93Å; I440-D457 PolarHBondContact N-O 3Å; I440-V459 HydrophobicContact CB-CG2 3.98Å; I440-V459 HydrophobicContact CG2-CG2 3.97Å; I440-C462 HydrophobicContact CG2-CB 4.21Å; I440-F464 HydrophobicContact CD1-CE1 3.9Å; I440-F464 HydrophobicContact CD1-CZ 4.3Å; I440-W472 HydrophobicContact CD1-CH2 4.09Å; I440-W472 HydrophobicContact CG1-CH2 4.4Å
441	G	96.9	Very high	93.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-39.5	-178.3	0	0	0	0	0	113.7	L285 I286 L378 N452	L285-G441 CarbonylContact O-C 3.6Å; L285-G441 VanDerWaalsContact O-CA 3.3Å; L285-G441 WeakPolarHBondContact O-CA 3.36Å; I286-G441 WeakPolarHBondContact CG1-O 3.27Å; L378-G441 PolarHBondContact O-N 3.29Å; G441-N452 VanDerWaalsContact O-CB 3.32Å; G441-N452 WeakPolarHBondContact O-CB 3.15Å; G441-N452 PolarHBondContact O-N 2.82Å
442	C	98	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.3	178.2	58.6	0	0	0	0	113.2	I286 K287 A377 L378 F449 Y450	I286-C442 HydrophobicContact CG2-CB 4.3Å; K287-C442 PolarHBondContact N-SG 3Å; A377-C442 WeakPolarHBondContact CA-O 3.4Å; L378-C442 PolarHBondContact N-O 3.27Å; L378-C442 PolarHBondContact O-N 3.09Å; C442-F449 HydrophobicContact CB-CE1 4.4Å; C442-F449 HydrophobicContact CB-CZ 3.94Å; C442-Y450 CarbonylContact C-O 3.56Å; C442-Y450 WeakPolarHBondContact CA-O 3.18Å; C442-Y450 WeakPolarHBondContact CB-O 3.39Å
443	L	98.5	Very high	95.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.2	175.1	-73.9	167.1	0	0	0	109.1	V376 A377 V401 I440 F449 Y450 F464 L466 W472	V376-L443 CarbonylContact O-C 3.56Å; V376-L443 VanDerWaalsContact O-CA 3.3Å; V376-L443 WeakPolarHBondContact O-CA 3.23Å; A377-L443 HydrophobicContact CB-CD2 3.62Å; V401-L443 HydrophobicContact CB-CD2 3.97Å; V401-L443 HydrophobicContact CG2-CD2 3.83Å; I440-L443 HydrophobicContact CD1-CD1 4.39Å; I440-L443 HydrophobicContact CD1-CD2 3.88Å; I440-L443 HydrophobicContact CD1-CG 3.98Å; L443-F449 CarbonylContact O-C 3.59Å; L443-Y450 HydrophobicContact CB-CD2 4.45Å; L443-Y450 PolarHBondContact N-O 3.34Å; L443-Y450 PolarHBondContact O-N 2.95Å; L443-F464 HydrophobicContact CD1-CD1 4.36Å; L443-F464 HydrophobicContact CD1-CE1 4.5Å; L443-L466 HydrophobicContact CD1-CD1 4.28Å; L443-L466 HydrophobicContact CD1-CD2 3.53Å; L443-W472 HydrophobicContact CB-CZ3 4.38Å; L443-W472 HydrophobicContact CD1-CE3 4.25Å; L443-W472 HydrophobicContact CD1-CH2 3.42Å; L443-W472 VanDerWaalsContact CD1-CH2 3.42Å; L443-W472 HydrophobicContact CD1-CZ2 3.79Å; L443-W472 HydrophobicContact CD1-CZ3 3.68Å; L443-W472 HydrophobicContact CG-CH2 3.93Å; L443-W472 HydrophobicContact CG-CZ3 3.93Å
444	Y	98.7	Very high	95.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.6	175	70.9	-89.2	0	0	0	113.3	V300 V304 W342 N361 Y375 V376 L378 S448 F449	V300-Y444 HydrophobicContact CB-CD1 4.34Å; V300-Y444 HydrophobicContact CB-CD2 4.22Å; V300-Y444 HydrophobicContact CB-CE1 4.09Å; V300-Y444 HydrophobicContact CB-CE2 3.97Å; V300-Y444 HydrophobicContact CB-CG 4.41Å; V300-Y444 HydrophobicContact CG2-CD1 3.78Å; V300-Y444 HydrophobicContact CG2-CD2 3.93Å; V300-Y444 HydrophobicContact CG2-CE1 4.03Å; V300-Y444 HydrophobicContact CG2-CE2 4.19Å; V300-Y444 HydrophobicContact CG2-CG 3.73Å; V300-Y444 WeakPolarHBondContact O-CE2 3.35Å; V304-Y444 HydrophobicContact CG2-CD2 4.39Å; V304-Y444 HydrophobicContact CG2-CE2 3.83Å; W342-Y444 HydrophobicContact CH2-CE1 4.44Å; W342-Y444 WeakPolarHBondContact CH2-OH 3.34Å; W342-Y444 WeakPolarHBondContact CZ3-OH 3.48Å; N361-Y444 WeakPolarHBondContact OD1-CE2 3.17Å; N361-Y444 PolarHBondContact OD1-OH 3.41Å; Y375-Y444 CarbonylContact C-O 3.59Å; Y375-Y444 WeakPolarHBondContact CA-O 3.39Å; V376-Y444 HydrophobicContact CB-CD1 4.15Å; V376-Y444 HydrophobicContact CB-CD2 4.38Å; V376-Y444 HydrophobicContact CB-CE1 3.63Å; V376-Y444 HydrophobicContact CB-CE2 3.89Å; V376-Y444 HydrophobicContact CB-CG 4.49Å; V376-Y444 VanDerWaalsContact CB-CZ 3.48Å; V376-Y444 HydrophobicContact CG1-CE1 3.63Å; V376-Y444 HydrophobicContact CG1-CE2 4.45Å; V376-Y444 VanDerWaalsContact CG1-OH 3.31Å; V376-Y444 WeakPolarHBondContact CG1-OH 3.31Å; V376-Y444 HydrophobicContact CG2-CE2 4.07Å; V376-Y444 PolarHBondContact N-O 3.47Å; V376-Y444 PolarHBondContact O-N 3.17Å; L378-Y444 HydrophobicContact CD1-CD1 4.35Å; L378-Y444 HydrophobicContact CD1-CE1 3.76Å; L378-Y444 HydrophobicContact CD2-CE1 4.18Å; L378-Y444 HydrophobicContact CG-CD1 4.44Å; L378-Y444 HydrophobicContact CG-CE1 3.82Å; Y444-S448 CarbonylContact C-O 3.6Å; Y444-S448 VanDerWaalsContact CA-O 3.26Å; Y444-S448 WeakPolarHBondContact CA-O 3.31Å; Y444-F449 HydrophobicContact CG-CD2 4.48Å
445	N	98.4	Very high	96.3	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.048	10%	0.104	C	C	.	.			trans	-144	-158.5	165	66.3	15.7	0	0	0	109.3	C301 V304 L368 A374 Y375 S447 S448	C301-N445 WeakPolarHBondContact CB-O 3.49Å; C301-N445 PolarHBondContact SG-O 3.36Å; V304-N445 HydrophobicContact CG1-CB 4.39Å; L368-N445 HydrophobicContact CD1-CB 4.09Å; A374-N445 WeakPolarHBondContact O-CB 3.29Å; A374-N445 PolarHBondContact O-ND2 2.93Å; Y375-N445 HydrophobicContact CD1-CB 4.05Å; Y375-N445 WeakPolarHBondContact CD1-ND2 3.49Å; Y375-N445 HydrophobicContact CE1-CB 4.49Å; Y375-N445 WeakPolarHBondContact CE1-ND2 3.33Å; N445-S447 VanDerWaalsContact C-N 3.26Å; N445-S447 PolarHBondContact O-N 3.17Å; N445-S447 PolarHBondContact OD1-N 3.34Å; N445-S448 PolarHBondContact N-O 3.43Å; N445-S448 PolarHBondContact OD1-N 2.67Å
446	N	97.8	Very high	96.4	Very high	20 Å²	20	19.3 Å²	19.3	11%	0.107	11%	0.107	C	C	.	.	S	Bend	trans	-68.7	-21	-179.3	71.1	-67.6	0	0	0	114.3	V304 Q481 H484	V304-N446 HydrophobicContact CG1-CB 4.45Å; V304-N446 WeakPolarHBondContact O-CB 3.28Å; N446-Q481 PolarHBondContact O-NE2 2.85Å; N446-H484 WeakPolarHBondContact CB-NE2 3.4Å; N446-H484 PolarHBondContact O-CD2 2.86Å
447	S	97.8	Very high	96.5	Very high	31 Å²	31	20.7 Å²	20.7	22%	0.217	12%	0.115	C	C	.	.	S	Bend	trans	-117.3	-23.6	-171	-66.7	0	0	0	0	113.7	N445 F477 I480	N445-S447 VanDerWaalsContact C-N 3.26Å; N445-S447 PolarHBondContact O-N 3.17Å; N445-S447 PolarHBondContact OD1-N 3.34Å; S447-F477 WeakPolarHBondContact O-CD2 3.39Å; S447-I480 WeakPolarHBondContact O-CD1 3.44Å
448	S	97.9	Very high	96.5	Very high	26 Å²	26	24.1 Å²	24.1	18%	0.182	13%	0.129	C	C	.	.			trans	-137.7	146.4	-170.5	-57.5	0	0	0	0	111.5	Y444 N445	Y444-S448 CarbonylContact C-O 3.6Å; Y444-S448 VanDerWaalsContact CA-O 3.26Å; Y444-S448 WeakPolarHBondContact CA-O 3.31Å; N445-S448 PolarHBondContact N-O 3.43Å; N445-S448 PolarHBondContact OD1-N 2.67Å
449	F	98.6	Very high	96.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.8	169.8	-177.1	-80.3	0	0	0	108.6	W269 I286 K287 I288 F299 V300 C442 L443 Y444 P474 M475 I480	W269-F449 HydrophobicContact CH2-CD1 4.25Å; W269-F449 AromaticContact CH2-CE1 3.86Å; W269-F449 HydrophobicContact CH2-CE1 3.86Å; W269-F449 HydrophobicContact CZ2-CD1 4.48Å; W269-F449 HydrophobicContact CZ3-CE1 4.38Å; I286-F449 HydrophobicContact CG2-CE1 4.25Å; I286-F449 HydrophobicContact CG2-CZ 4.15Å; K287-F449 WeakPolarHBondContact O-CE2 3.48Å; I288-F449 HydrophobicContact CB-CZ 4.4Å; I288-F449 HydrophobicContact CG1-CE1 4.07Å; I288-F449 HydrophobicContact CG1-CE2 4.43Å; I288-F449 HydrophobicContact CG1-CZ 3.73Å; F299-F449 HydrophobicContact CE2-CD2 4.1Å; F299-F449 HydrophobicContact CZ-CB 4.23Å; F299-F449 HydrophobicContact CZ-CD2 4.36Å; V300-F449 HydrophobicContact CG2-CD2 3.9Å; V300-F449 HydrophobicContact CG2-CE2 3.72Å; C442-F449 HydrophobicContact CB-CE1 4.4Å; C442-F449 HydrophobicContact CB-CZ 3.94Å; L443-F449 CarbonylContact O-C 3.59Å; Y444-F449 HydrophobicContact CG-CD2 4.48Å; F449-P474 CarbonylContact O-C 3.53Å; F449-P474 VanDerWaalsContact O-CA 3.3Å; F449-P474 WeakPolarHBondContact O-CA 3.45Å; F449-M475 HydrophobicContact CB-CB 4.33Å; F449-M475 HydrophobicContact CB-CG 4.27Å; F449-M475 HydrophobicContact CB-SD 4.02Å; F449-M475 HydrophobicContact CD1-CE 3.71Å; F449-M475 HydrophobicContact CD1-CG 4.07Å; F449-M475 HydrophobicContact CD1-SD 3.89Å; F449-M475 HydrophobicContact CE1-CE 3.94Å; F449-M475 HydrophobicContact CG-CE 4.29Å; F449-M475 HydrophobicContact CG-CG 4.5Å; F449-M475 HydrophobicContact CG-SD 4.02Å; F449-M475 PolarHBondContact O-N 2.93Å; F449-I480 HydrophobicContact CB-CD1 4.15Å
450	Y	98.2	Very high	96.4	Very high	31 Å²	31	22.2 Å²	22.2	12%	0.122	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.1	-178.3	-58.8	-83.8	0	0	0	111.1	Y375 C442 L443 L466 W472 R473 P474	Y375-Y450 HydrophobicContact CD1-CE2 4.46Å; Y375-Y450 HydrophobicContact CE1-CD2 4.34Å; Y375-Y450 AromaticContact CE1-CE2 3.77Å; Y375-Y450 HydrophobicContact CE1-CE2 3.77Å; C442-Y450 CarbonylContact C-O 3.56Å; C442-Y450 WeakPolarHBondContact CA-O 3.18Å; C442-Y450 WeakPolarHBondContact CB-O 3.39Å; L443-Y450 HydrophobicContact CB-CD2 4.45Å; L443-Y450 PolarHBondContact N-O 3.34Å; L443-Y450 PolarHBondContact O-N 2.95Å; Y450-L466 HydrophobicContact CD2-CD1 4.21Å; Y450-L466 HydrophobicContact CE1-CB 4.31Å; Y450-L466 HydrophobicContact CE2-CB 4.36Å; Y450-L466 HydrophobicContact CE2-CD1 4Å; Y450-W472 HydrophobicContact CD1-CB 4.02Å; Y450-W472 HydrophobicContact CG-CB 4.47Å; Y450-R473 WeakPolarHBondContact CA-O 3.37Å; Y450-P474 HydrophobicContact CD1-CB 3.85Å; Y450-P474 HydrophobicContact CE1-CB 3.75Å
451	A	97.6	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.3	164.3	0	0	0	0	0	110.9	W269 L273 I286 I453 W472 R473	W269-A451 HydrophobicContact CH2-CB 3.63Å; W269-A451 HydrophobicContact CZ2-CB 4.15Å; L273-A451 HydrophobicContact CD1-CB 4.23Å; L273-A451 HydrophobicContact CD2-CB 4.2Å; I286-A451 HydrophobicContact CD1-CB 3.83Å; I286-A451 HydrophobicContact CG1-CB 4.25Å; I286-A451 HydrophobicContact CG2-CB 4.05Å; A451-I453 PolarHBondContact O-N 3.36Å; A451-W472 WeakPolarHBondContact O-CA 3.42Å; A451-R473 HydrophobicContact CB-CB 4.46Å; A451-R473 PolarHBondContact N-O 2.95Å; A451-R473 PolarHBondContact O-N 2.68Å
452	N	97.2	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116	171.8	-174.7	-0.7	0	0	0	109.3	R284 I440 G441 Q454 W472	R284-N452 PolarHBondContact NH1-O 3.03Å; I440-N452 PolarHBondContact O-ND2 2.93Å; G441-N452 VanDerWaalsContact O-CB 3.32Å; G441-N452 WeakPolarHBondContact O-CB 3.15Å; G441-N452 PolarHBondContact O-N 2.82Å; N452-Q454 VanDerWaalsContact OD1-CB 3.26Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.42Å; N452-Q454 VanDerWaalsContact OD1-CG 3.27Å; N452-Q454 WeakPolarHBondContact OD1-CG 3.43Å; N452-Q454 PolarHBondContact OD1-N 2.6Å; N452-Q454 PolarHBondContact OD1-NE2 3.18Å; N452-W472 HydrophobicContact CB-CE3 4.09Å; N452-W472 HydrophobicContact CB-CH2 3.9Å; N452-W472 HydrophobicContact CB-CZ3 3.57Å
453	I	96	Very high	95.8	Very high	19 Å²	19	31.8 Å²	31.8	10%	0.097	17%	0.174	C	C	.	.			trans	-113	8.9	178.3	63.8	166.2	0	0	0	112.8	L273 L276 F281 A451 Q471 R473	L273-I453 HydrophobicContact CD1-CG2 3.59Å; L276-I453 HydrophobicContact CD1-CD1 4.49Å; F281-I453 HydrophobicContact CE1-CB 4.31Å; F281-I453 HydrophobicContact CE1-CG2 3.79Å; F281-I453 HydrophobicContact CZ-CB 4.33Å; F281-I453 HydrophobicContact CZ-CG2 3.96Å; A451-I453 PolarHBondContact O-N 3.36Å; I453-Q471 VanDerWaalsContact CG1-C 3.43Å; I453-Q471 WeakPolarHBondContact CG1-O 3.41Å; I453-Q471 PolarHBondContact N-O 3.42Å; I453-R473 HydrophobicContact CD1-CB 4.36Å; I453-R473 HydrophobicContact CG2-CB 3.79Å
454	Q	95.1	Very high	95.6	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.047	18%	0.175	C	C	.	.	S	Bend	trans	-64.2	158.5	179	-61.8	179.4	64	0	0	111.7	F280 R284 N452 T456 C462 L463 Q471	F280-Q454 WeakPolarHBondContact CZ-O 3.34Å; R284-Q454 VanDerWaalsContact CZ-O 3.23Å; R284-Q454 PolarHBondContact NH1-O 3.25Å; R284-Q454 PolarHBondContact NH2-O 3.31Å; N452-Q454 VanDerWaalsContact OD1-CB 3.26Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.42Å; N452-Q454 VanDerWaalsContact OD1-CG 3.27Å; N452-Q454 WeakPolarHBondContact OD1-CG 3.43Å; N452-Q454 PolarHBondContact OD1-N 2.6Å; N452-Q454 PolarHBondContact OD1-NE2 3.18Å; Q454-T456 PolarHBondContact O-N 2.93Å; Q454-T456 VanDerWaalsContact O-N 3.12Å; Q454-C462 PolarHBondContact NE2-SG 2.91Å; Q454-L463 PolarHBondContact NE2-O 2.92Å; Q454-Q471 HydrophobicContact CG-CB 3.79Å; Q454-Q471 HydrophobicContact CG-CG 4.16Å; Q454-Q471 WeakPolarHBondContact CG-O 3.42Å
455	P	93.1	Very high	95.3	Very high	105 Å²	105	35.3 Å²	35.3	68%	0.682	19%	0.192	S	C	*	.	S	Bend	trans	-52.1	-36.8	-178.8	-29	36.4	0	0	0	114.8	R284	R284-P455 PolarHBondContact NH2-O 2.89Å
456	T	93.2	Very high	95.1	Very high	41 Å²	41	35.1 Å²	35.1	25%	0.252	19%	0.191	S	C	.	.			trans	-122.5	147.3	174.6	-179.9	0	0	0	0	109.8	Q454 K458 H461	Q454-T456 PolarHBondContact O-N 2.93Å; Q454-T456 VanDerWaalsContact O-N 3.12Å; T456-K458 WeakPolarHBondContact OG1-CB 3.47Å; T456-K458 WeakPolarHBondContact OG1-CG 3.43Å; T456-K458 PolarHBondContact OG1-N 3.39Å; T456-H461 HydrophobicContact CG2-CB 3.49Å; T456-H461 VanDerWaalsContact CG2-CB 3.49Å
457	D	94.2	Very high	94.9	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.171	22%	0.219	C	C	.	.			trans	-92.9	2.8	172.6	69.3	-23.4	0	0	0	112.4	N439 I440 V459	N439-D457 CarbonylContact C-O 3.6Å; N439-D457 VanDerWaalsContact CA-O 3.25Å; N439-D457 WeakPolarHBondContact CA-O 3.39Å; N439-D457 WeakPolarHBondContact CB-OD2 3.26Å; N439-D457 VanDerWaalsContact ND2-CG 3.26Å; N439-D457 PolarHBondContact ND2-OD1 3.45Å; N439-D457 PolarHBondContact ND2-OD2 2.92Å; N439-D457 VanDerWaalsContact ND2-OD2 3.15Å; I440-D457 PolarHBondContact N-O 3Å; D457-V459 PolarHBondContact O-N 3.12Å
458	K	94.1	Very high	94.7	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-67.4	127.1	177.8	-70.2	179.1	178.6	179.3	0	110.7	Y438 T456 V460 H461 C462	Y438-K458 CarbonylContact O-C 3.48Å; Y438-K458 WeakPolarHBondContact O-CA 3.27Å; T456-K458 WeakPolarHBondContact OG1-CB 3.47Å; T456-K458 WeakPolarHBondContact OG1-CG 3.43Å; T456-K458 PolarHBondContact OG1-N 3.39Å; K458-V460 VanDerWaalsContact C-N 3.28Å; K458-V460 HydrophobicContact CB-CG2 4.2Å; K458-V460 PolarHBondContact O-N 2.92Å; K458-H461 PolarHBondContact O-N 3.03Å; K458-C462 PolarHBondContact O-N 3.46Å; K458-C462 VanDerWaalsContact O-N 3.13Å
459	V	94.4	Very high	94.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-56.4	-42.1	-178.7	173.2	0	0	0	0	111.5	W399 F412 H423 F437 Y438 I440 D457 H461 C462	W399-V459 HydrophobicContact CH2-CG2 4.35Å; W399-V459 HydrophobicContact CZ2-CG2 4.18Å; F412-V459 HydrophobicContact CE2-CG1 3.46Å; F412-V459 VanDerWaalsContact CE2-CG1 3.46Å; F412-V459 HydrophobicContact CZ-CG1 3.64Å; H423-V459 PolarHBondContact CE1-O 3.23Å; H423-V459 PolarHBondContact NE2-O 3.06Å; F437-V459 HydrophobicContact CB-CG2 4.17Å; Y438-V459 WeakPolarHBondContact O-CG2 3.11Å; Y438-V459 PolarHBondContact O-N 2.93Å; I440-V459 HydrophobicContact CB-CG2 3.98Å; I440-V459 HydrophobicContact CG2-CG2 3.97Å; D457-V459 PolarHBondContact O-N 3.12Å; V459-H461 PolarHBondContact O-N 3.43Å; V459-H461 VanDerWaalsContact O-N 3.09Å; V459-C462 WeakPolarHBondContact O-CB 3.42Å; V459-C462 PolarHBondContact O-N 3.47Å
460	V	91.8	Very high	94.2	Very high	66 Å²	66	49.3 Å²	49.3	40%	0.4	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.5	-16.2	179	-63.4	0	0	0	0	114.8	I432 K458	I432-V460 WeakPolarHBondContact CD1-O 3.43Å; K458-V460 VanDerWaalsContact C-N 3.28Å; K458-V460 HydrophobicContact CB-CG2 4.2Å; K458-V460 PolarHBondContact O-N 2.92Å
461	H	91.6	Very high	94	Very high	117 Å²	117	49.3 Å²	49.3	54%	0.542	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-116.5	3.7	177.4	-61.3	-43.8	0	0	0	112.1	T456 K458 V459	T456-H461 HydrophobicContact CG2-CB 3.49Å; T456-H461 VanDerWaalsContact CG2-CB 3.49Å; K458-H461 PolarHBondContact O-N 3.03Å; V459-H461 PolarHBondContact O-N 3.43Å; V459-H461 VanDerWaalsContact O-N 3.09Å
462	C	93.7	Very high	94	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.054	27%	0.27	C	S	.	.			trans	-81.4	127.1	-173.8	-172.2	0	0	0	0	110.2	I440 Q454 K458 V459 F464 W472	I440-C462 HydrophobicContact CG2-CB 4.21Å; Q454-C462 PolarHBondContact NE2-SG 2.91Å; K458-C462 PolarHBondContact O-N 3.46Å; K458-C462 VanDerWaalsContact O-N 3.13Å; V459-C462 WeakPolarHBondContact O-CB 3.42Å; V459-C462 PolarHBondContact O-N 3.47Å; C462-F464 HydrophobicContact CB-CD2 4.45Å; C462-F464 HydrophobicContact CB-CE2 3.8Å; C462-F464 HydrophobicContact CB-CZ 4.14Å; C462-F464 WeakPolarHBondContact O-CD2 3.34Å; C462-W472 VanDerWaalsContact SG-CZ2 3.57Å
463	L	93.7	Very high	94	Very high	76 Å²	76	53.3 Å²	53.3	40%	0.398	29%	0.285	S	S	.	.			trans	-91.1	122.8	171.7	-59	175.6	0	0	0	109	Q454 Q471 W472	Q454-L463 PolarHBondContact NE2-O 2.92Å; L463-Q471 VanDerWaalsContact CD1-NE2 3.29Å; L463-W472 PolarHBondContact O-NE1 3.01Å
464	F	94.2	Very high	94.1	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.035	30%	0.296	C	S	.	.			trans	-96	15.8	-171.8	-75.6	-89.9	0	0	0	114.3	V401 Y407 I410 F412 H423 I440 L443 C462 L466 W472	V401-F464 HydrophobicContact CG1-CD1 4.01Å; V401-F464 HydrophobicContact CG1-CE1 4.04Å; V401-F464 HydrophobicContact CG2-CE1 4.34Å; Y407-F464 WeakPolarHBondContact CD1-O 3.46Å; I410-F464 HydrophobicContact CD1-CB 3.54Å; I410-F464 HydrophobicContact CD1-CG 4.29Å; I410-F464 HydrophobicContact CG1-CB 3.74Å; I410-F464 HydrophobicContact CG1-CD2 4.35Å; I410-F464 HydrophobicContact CG1-CG 4.16Å; I410-F464 HydrophobicContact CG2-CB 4.43Å; I410-F464 HydrophobicContact CG2-CD1 4.27Å; I410-F464 HydrophobicContact CG2-CD2 4.2Å; I410-F464 HydrophobicContact CG2-CG 4.04Å; F412-F464 AromaticContact CE1-CE1 4Å; F412-F464 HydrophobicContact CE1-CE1 4Å; F412-F464 HydrophobicContact CE1-CE2 4.19Å; F412-F464 AromaticContact CE1-CZ 3.67Å; F412-F464 HydrophobicContact CE1-CZ 3.67Å; F412-F464 HydrophobicContact CZ-CE1 4.32Å; F412-F464 AromaticContact CZ-CE2 3.82Å; F412-F464 HydrophobicContact CZ-CE2 3.82Å; F412-F464 AromaticContact CZ-CZ 3.53Å; F412-F464 HydrophobicContact CZ-CZ 3.53Å; H423-F464 AromaticContact CD2-CD2 3.89Å; H423-F464 AromaticContact CD2-CE2 3.55Å; H423-F464 AromaticContact NE2-CE2 3.55Å; I440-F464 HydrophobicContact CD1-CE1 3.9Å; I440-F464 HydrophobicContact CD1-CZ 4.3Å; L443-F464 HydrophobicContact CD1-CD1 4.36Å; L443-F464 HydrophobicContact CD1-CE1 4.5Å; C462-F464 HydrophobicContact CB-CD2 4.45Å; C462-F464 HydrophobicContact CB-CE2 3.8Å; C462-F464 HydrophobicContact CB-CZ 4.14Å; C462-F464 WeakPolarHBondContact O-CD2 3.34Å; F464-L466 PolarHBondContact O-N 3.02Å; F464-W472 HydrophobicContact CD1-CZ2 4.32Å; F464-W472 HydrophobicContact CE1-CZ2 4.5Å
465	N	93.2	Very high	94.2	Very high	67 Å²	67	54.9 Å²	54.9	36%	0.358	30%	0.296	S	S	.	.			trans	-73.6	90.8	173.1	-176.8	-3.2	0	0	0	110.1	K467 N468	N465-K467 PolarHBondContact O-N 2.88Å; N465-K467 WeakPolarHBondContact OD1-CB 3.38Å; N465-K467 PolarHBondContact OD1-N 2.8Å; N465-N468 WeakPolarHBondContact O-CB 3.37Å; N465-N468 PolarHBondContact O-N 2.88Å
466	L	94.8	Very high	94.4	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.8	-175.2	-52.9	-174.9	0	0	0	113.3	Y375 Y407 L443 Y450 F464 N468 W472	Y375-L466 HydrophobicContact CD1-CD1 4.45Å; Y375-L466 HydrophobicContact CD2-CD1 3.78Å; Y375-L466 HydrophobicContact CE1-CD1 4.07Å; Y375-L466 HydrophobicContact CE2-CD1 3.32Å; Y375-L466 HydrophobicContact CG-CD1 4.32Å; Y375-L466 VanDerWaalsContact CZ-CD1 3.5Å; Y407-L466 HydrophobicContact CE1-CB 4.06Å; Y407-L466 HydrophobicContact CE1-CD1 4.25Å; Y407-L466 HydrophobicContact CE1-CG 3.86Å; L443-L466 HydrophobicContact CD1-CD1 4.28Å; L443-L466 HydrophobicContact CD1-CD2 3.53Å; Y450-L466 HydrophobicContact CD2-CD1 4.21Å; Y450-L466 HydrophobicContact CE1-CB 4.31Å; Y450-L466 HydrophobicContact CE2-CB 4.36Å; Y450-L466 HydrophobicContact CE2-CD1 4Å; F464-L466 PolarHBondContact O-N 3.02Å; L466-N468 PolarHBondContact O-N 2.84Å; L466-W472 HydrophobicContact CD2-CD2 3.7Å; L466-W472 HydrophobicContact CD2-CE3 4.39Å; L466-W472 HydrophobicContact CD2-CG 3.78Å; L466-W472 HydrophobicContact CD2-CZ2 4.16Å
467	K	92.8	Very high	94.6	Very high	156 Å²	156	55 Å²	55	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.5	173.7	-64.7	174.1	-179.5	159.7	0	112.3	Y407 N465 S469	Y407-K467 HydrophobicContact CE2-CD 3.81Å; Y407-K467 HydrophobicContact CE2-CG 3.88Å; N465-K467 PolarHBondContact O-N 2.88Å; N465-K467 WeakPolarHBondContact OD1-CB 3.38Å; N465-K467 PolarHBondContact OD1-N 2.8Å; K467-S469 PolarHBondContact O-N 3.43Å
468	N	94	Very high	94.8	Very high	51 Å²	51	60.3 Å²	60.3	27%	0.273	31%	0.311	S	S	.	.			trans	-84.5	99.8	179.4	-170.9	-9.9	0	0	0	111.6	N465 L466 S470 Q471 W472	N465-N468 WeakPolarHBondContact O-CB 3.37Å; N465-N468 PolarHBondContact O-N 2.88Å; L466-N468 PolarHBondContact O-N 2.84Å; N468-S470 VanDerWaalsContact CG-OG 3.29Å; N468-S470 PolarHBondContact ND2-OG 3.12Å; N468-S470 PolarHBondContact O-N 2.99Å; N468-S470 WeakPolarHBondContact OD1-CB 3.25Å; N468-S470 PolarHBondContact OD1-N 3.28Å; N468-S470 PolarHBondContact OD1-OG 2.94Å; N468-Q471 HydrophobicContact CB-CB 4.35Å; N468-Q471 HydrophobicContact CB-CG 4.27Å; N468-Q471 PolarHBondContact ND2-NE2 3.17Å; N468-Q471 VanDerWaalsContact ND2-NE2 3.18Å; N468-Q471 PolarHBondContact O-N 3.18Å; N468-W472 PolarHBondContact O-N 3.29Å
469	S	93.5	Very high	94.9	Very high	88 Å²	88	58.3 Å²	58.3	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.6	179.9	64.7	0	0	0	0	115	K467 W472	K467-S469 PolarHBondContact O-N 3.43Å; S469-W472 WeakPolarHBondContact CA-O 3.34Å
470	S	92.8	Very high	95.1	Very high	80 Å²	80	58.3 Å²	58.3	56%	0.559	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.3	171.7	71.2	0	0	0	0	113.2	N468	N468-S470 VanDerWaalsContact CG-OG 3.29Å; N468-S470 PolarHBondContact ND2-OG 3.12Å; N468-S470 PolarHBondContact O-N 2.99Å; N468-S470 WeakPolarHBondContact OD1-CB 3.25Å; N468-S470 PolarHBondContact OD1-N 3.28Å; N468-S470 PolarHBondContact OD1-OG 2.94Å
471	Q	94.2	Very high	95.4	Very high	31 Å²	31	56.6 Å²	56.6	15%	0.145	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-38.5	-179.4	-65.2	173.5	-8.5	0	0	111.8	I453 Q454 L463 N468	I453-Q471 VanDerWaalsContact CG1-C 3.43Å; I453-Q471 WeakPolarHBondContact CG1-O 3.41Å; I453-Q471 PolarHBondContact N-O 3.42Å; Q454-Q471 HydrophobicContact CG-CB 3.79Å; Q454-Q471 HydrophobicContact CG-CG 4.16Å; Q454-Q471 WeakPolarHBondContact CG-O 3.42Å; L463-Q471 VanDerWaalsContact CD1-NE2 3.29Å; N468-Q471 HydrophobicContact CB-CB 4.35Å; N468-Q471 HydrophobicContact CB-CG 4.27Å; N468-Q471 PolarHBondContact ND2-NE2 3.17Å; N468-Q471 VanDerWaalsContact ND2-NE2 3.18Å; N468-Q471 PolarHBondContact O-N 3.18Å
472	W	97	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.6	-177.8	-66.8	96.2	0	0	0	109.7	I440 L443 Y450 A451 N452 C462 L463 F464 L466 N468 S469 P474	I440-W472 HydrophobicContact CD1-CH2 4.09Å; I440-W472 HydrophobicContact CG1-CH2 4.4Å; L443-W472 HydrophobicContact CB-CZ3 4.38Å; L443-W472 HydrophobicContact CD1-CE3 4.25Å; L443-W472 HydrophobicContact CD1-CH2 3.42Å; L443-W472 VanDerWaalsContact CD1-CH2 3.42Å; L443-W472 HydrophobicContact CD1-CZ2 3.79Å; L443-W472 HydrophobicContact CD1-CZ3 3.68Å; L443-W472 HydrophobicContact CG-CH2 3.93Å; L443-W472 HydrophobicContact CG-CZ3 3.93Å; Y450-W472 HydrophobicContact CD1-CB 4.02Å; Y450-W472 HydrophobicContact CG-CB 4.47Å; A451-W472 WeakPolarHBondContact O-CA 3.42Å; N452-W472 HydrophobicContact CB-CE3 4.09Å; N452-W472 HydrophobicContact CB-CH2 3.9Å; N452-W472 HydrophobicContact CB-CZ3 3.57Å; C462-W472 VanDerWaalsContact SG-CZ2 3.57Å; L463-W472 PolarHBondContact O-NE1 3.01Å; F464-W472 HydrophobicContact CD1-CZ2 4.32Å; F464-W472 HydrophobicContact CE1-CZ2 4.5Å; L466-W472 HydrophobicContact CD2-CD2 3.7Å; L466-W472 HydrophobicContact CD2-CE3 4.39Å; L466-W472 HydrophobicContact CD2-CG 3.78Å; L466-W472 HydrophobicContact CD2-CZ2 4.16Å; N468-W472 PolarHBondContact O-N 3.29Å; S469-W472 WeakPolarHBondContact CA-O 3.34Å; W472-P474 WeakPolarHBondContact O-CD 3.48Å
473	R	96.6	Very high	95.6	Very high	84 Å²	84	53.7 Å²	53.7	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111	175.5	179.5	65.2	172.4	178.7	-1.3	109	W269 E272 L273 Y450 A451 I453	W269-R473 HydrophobicContact CZ2-CB 4.33Å; W269-R473 HydrophobicContact CZ2-CG 3.77Å; E272-R473 IonicContact OE2-NH2 2.69Å; E272-R473 PolarHBondContact OE2-NH2 3.03Å; L273-R473 HydrophobicContact CD1-CB 3.9Å; L273-R473 HydrophobicContact CD1-CG 3.86Å; Y450-R473 WeakPolarHBondContact CA-O 3.37Å; A451-R473 HydrophobicContact CB-CB 4.46Å; A451-R473 PolarHBondContact N-O 2.95Å; A451-R473 PolarHBondContact O-N 2.68Å; I453-R473 HydrophobicContact CD1-CB 4.36Å; I453-R473 HydrophobicContact CG2-CB 3.79Å
474	P	97.5	Very high	95.8	Very high	52 Å²	52	50.2 Å²	50.2	34%	0.338	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	157.1	177.3	32.6	-35.6	0	0	0	112.3	W269 F449 Y450 W472	W269-P474 PolarHBondContact NE1-O 3.07Å; F449-P474 CarbonylContact O-C 3.53Å; F449-P474 VanDerWaalsContact O-CA 3.3Å; F449-P474 WeakPolarHBondContact O-CA 3.45Å; Y450-P474 HydrophobicContact CD1-CB 3.85Å; Y450-P474 HydrophobicContact CE1-CB 3.75Å; W472-P474 WeakPolarHBondContact O-CD 3.48Å
475	M	97.6	Very high	95.7	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.049	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-87	159.5	153.7	-70.3	-177.7	-178.2	0	0	110.6	Y265 V266 W269 I288 F299 F449 F477 I480	Y265-M475 HydrophobicContact CE1-CB 4.24Å; Y265-M475 HydrophobicContact CE1-CG 4.18Å; Y265-M475 HydrophobicContact CE1-SD 4.36Å; Y265-M475 WeakPolarHBondContact OH-CA 3.48Å; V266-M475 HydrophobicContact CG2-CE 4.39Å; W269-M475 HydrophobicContact CD2-CE 3.78Å; W269-M475 HydrophobicContact CD2-CG 4.03Å; W269-M475 HydrophobicContact CE3-CE 3.53Å; W269-M475 HydrophobicContact CG-CE 4.46Å; W269-M475 HydrophobicContact CG-CG 4.24Å; W269-M475 HydrophobicContact CH2-CE 4.04Å; W269-M475 HydrophobicContact CZ2-CE 4.26Å; W269-M475 HydrophobicContact CZ2-CG 4.07Å; W269-M475 HydrophobicContact CZ3-CE 3.69Å; I288-M475 HydrophobicContact CD1-CE 3.81Å; I288-M475 HydrophobicContact CG1-CE 3.99Å; I288-M475 HydrophobicContact CG2-CE 3.78Å; F299-M475 HydrophobicContact CE2-SD 4.22Å; F299-M475 HydrophobicContact CZ-SD 4.18Å; F449-M475 HydrophobicContact CB-CB 4.33Å; F449-M475 HydrophobicContact CB-CG 4.27Å; F449-M475 HydrophobicContact CB-SD 4.02Å; F449-M475 HydrophobicContact CD1-CE 3.71Å; F449-M475 HydrophobicContact CD1-CG 4.07Å; F449-M475 HydrophobicContact CD1-SD 3.89Å; F449-M475 HydrophobicContact CE1-CE 3.94Å; F449-M475 HydrophobicContact CG-CE 4.29Å; F449-M475 HydrophobicContact CG-CG 4.5Å; F449-M475 HydrophobicContact CG-SD 4.02Å; F449-M475 PolarHBondContact O-N 2.93Å; M475-F477 PolarHBondContact O-N 3.46Å; M475-I480 HydrophobicContact CB-CD1 3.99Å; M475-I480 HydrophobicContact CB-CG1 4.26Å
476	S	97.2	Very high	95.7	Very high	34 Å²	34	54.5 Å²	54.5	24%	0.238	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.9	175.3	156.4	0	0	0	0	110.1	Y265 E478 V479 I480	Y265-S476 PolarHBondContact OH-N 3.22Å; S476-E478 PolarHBondContact OG-N 2.55Å; S476-E478 PolarHBondContact OG-OE2 2.89Å; S476-V479 PolarHBondContact O-N 3.48Å; S476-V479 PolarHBondContact OG-N 3.25Å; S476-I480 WeakPolarHBondContact O-CG1 3.14Å; S476-I480 PolarHBondContact O-N 2.87Å
477	F	97.8	Very high	95.6	Very high	114 Å²	114	54.6 Å²	54.6	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-47.8	172.6	171	-99.5	0	0	0	111.4	S447 M475 V479 I480 Q481	S447-F477 WeakPolarHBondContact O-CD2 3.39Å; M475-F477 PolarHBondContact O-N 3.46Å; F477-V479 PolarHBondContact O-N 3.43Å; F477-I480 PolarHBondContact O-N 3.46Å; F477-Q481 HydrophobicContact CD1-CG 4.24Å; F477-Q481 HydrophobicContact CD2-CG 4.11Å; F477-Q481 HydrophobicContact CE1-CG 3.8Å; F477-Q481 HydrophobicContact CE2-CG 3.64Å; F477-Q481 HydrophobicContact CG-CG 4.38Å; F477-Q481 HydrophobicContact CZ-CG 3.48Å; F477-Q481 VanDerWaalsContact CZ-CG 3.48Å; F477-Q481 VanDerWaalsContact O-CG 3.3Å; F477-Q481 WeakPolarHBondContact O-CG 3.4Å; F477-Q481 PolarHBondContact O-N 3.46Å
478	E	98	Very high	95.6	Very high	144 Å²	144	48.7 Å²	48.7	67%	0.673	27%	0.266	S	S	*	.	H	α-helix	trans	-60.5	-39.7	-178.3	-56	110.3	174.2	0	0	111.2	S476 Q481 T482	S476-E478 PolarHBondContact OG-N 2.55Å; S476-E478 PolarHBondContact OG-OE2 2.89Å; E478-Q481 PolarHBondContact O-N 3Å; E478-T482 WeakPolarHBondContact O-CG2 3.34Å; E478-T482 PolarHBondContact O-N 2.84Å
479	V	97.4	Very high	95.7	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-44.2	179	-179.9	0	0	0	0	111.6	F262 Y265 S476 F477 Q481 T482	F262-V479 HydrophobicContact CD2-CG1 3.77Å; F262-V479 HydrophobicContact CE2-CG1 4.07Å; Y265-V479 HydrophobicContact CD1-CB 4.32Å; Y265-V479 HydrophobicContact CD1-CG1 3.4Å; Y265-V479 HydrophobicContact CD2-CG1 4.09Å; Y265-V479 HydrophobicContact CD2-CG2 4.14Å; Y265-V479 HydrophobicContact CE1-CB 4.19Å; Y265-V479 HydrophobicContact CE1-CG1 3.72Å; Y265-V479 HydrophobicContact CE2-CB 4.46Å; Y265-V479 HydrophobicContact CE2-CG1 4.36Å; Y265-V479 HydrophobicContact CE2-CG2 4.05Å; Y265-V479 HydrophobicContact CG-CG1 3.6Å; Y265-V479 HydrophobicContact CG-CG2 4.49Å; S476-V479 PolarHBondContact O-N 3.48Å; S476-V479 PolarHBondContact OG-N 3.25Å; F477-V479 PolarHBondContact O-N 3.43Å; V479-Q481 VanDerWaalsContact C-N 3.27Å; V479-Q481 PolarHBondContact O-N 2.98Å; V479-T482 WeakPolarHBondContact O-CB 3.49Å; V479-T482 PolarHBondContact O-N 3.38Å; V479-T482 VanDerWaalsContact O-N 3.12Å; V479-T482 PolarHBondContact O-OG1 3.48Å
480	I	97.9	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.2	-46.7	173.3	-72.4	169	0	0	0	110.5	F299 S447 F449 M475 S476 F477 T482 V483 H484	F299-I480 HydrophobicContact CE1-CB 4.47Å; F299-I480 HydrophobicContact CE1-CG1 4.05Å; F299-I480 HydrophobicContact CE1-CG2 4.11Å; F299-I480 HydrophobicContact CZ-CG1 4.14Å; S447-I480 WeakPolarHBondContact O-CD1 3.44Å; F449-I480 HydrophobicContact CB-CD1 4.15Å; M475-I480 HydrophobicContact CB-CD1 3.99Å; M475-I480 HydrophobicContact CB-CG1 4.26Å; S476-I480 WeakPolarHBondContact O-CG1 3.14Å; S476-I480 PolarHBondContact O-N 2.87Å; F477-I480 PolarHBondContact O-N 3.46Å; I480-T482 PolarHBondContact O-N 2.94Å; I480-V483 VanDerWaalsContact O-CG2 3.27Å; I480-V483 WeakPolarHBondContact O-CG2 3.27Å; I480-V483 PolarHBondContact O-N 2.89Å; I480-H484 HydrophobicContact CG2-CB 4.31Å; I480-H484 WeakPolarHBondContact O-CB 3.16Å; I480-H484 PolarHBondContact O-N 3.27Å
481	Q	97	Very high	95.9	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-21.4	-178.6	-69.9	-53.8	-51.3	0	0	113.5	N446 F477 E478 V479 V483 N485	N446-Q481 PolarHBondContact O-NE2 2.85Å; F477-Q481 HydrophobicContact CD1-CG 4.24Å; F477-Q481 HydrophobicContact CD2-CG 4.11Å; F477-Q481 HydrophobicContact CE1-CG 3.8Å; F477-Q481 HydrophobicContact CE2-CG 3.64Å; F477-Q481 HydrophobicContact CG-CG 4.38Å; F477-Q481 HydrophobicContact CZ-CG 3.48Å; F477-Q481 VanDerWaalsContact CZ-CG 3.48Å; F477-Q481 VanDerWaalsContact O-CG 3.3Å; F477-Q481 WeakPolarHBondContact O-CG 3.4Å; F477-Q481 PolarHBondContact O-N 3.46Å; E478-Q481 PolarHBondContact O-N 3Å; V479-Q481 VanDerWaalsContact C-N 3.27Å; V479-Q481 PolarHBondContact O-N 2.98Å; Q481-V483 VanDerWaalsContact C-N 3.3Å; Q481-V483 PolarHBondContact O-N 3.47Å; Q481-N485 WeakPolarHBondContact O-CB 3.15Å; Q481-N485 PolarHBondContact O-N 2.81Å; Q481-N485 PolarHBondContact O-ND2 2.87Å; Q481-N485 PolarHBondContact OE1-ND2 2.89Å; Q481-N485 VanDerWaalsContact OE1-ND2 3.07Å; Q481-N485 PolarHBondContact OE1-OD1 3.42Å
482	T	95.7	Very high	95.9	Very high	62 Å²	62	43 Å²	43	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-36.5	176.1	67.1	0	0	0	0	112.7	R258 E478 V479 I480 Y486	R258-T482 WeakPolarHBondContact CD-O 3.39Å; R258-T482 PolarHBondContact NE-O 2.76Å; E478-T482 WeakPolarHBondContact O-CG2 3.34Å; E478-T482 PolarHBondContact O-N 2.84Å; V479-T482 WeakPolarHBondContact O-CB 3.49Å; V479-T482 PolarHBondContact O-N 3.38Å; V479-T482 VanDerWaalsContact O-N 3.12Å; V479-T482 PolarHBondContact O-OG1 3.48Å; I480-T482 PolarHBondContact O-N 2.94Å; T482-Y486 WeakPolarHBondContact O-CD2 3.45Å
483	V	95.9	Very high	95.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-96.6	-42.1	178.9	-70.2	0	0	0	0	112.3	R258 F262 F299 I480 Q481 N485 Y486 S487	R258-V483 HydrophobicContact CG-CG1 4Å; F262-V483 HydrophobicContact CB-CG1 3.56Å; F262-V483 HydrophobicContact CD1-CG1 4.02Å; F262-V483 HydrophobicContact CD1-CG2 4.23Å; F262-V483 HydrophobicContact CD2-CG1 3.96Å; F262-V483 HydrophobicContact CD2-CG2 3.74Å; F262-V483 HydrophobicContact CE1-CG2 4.2Å; F262-V483 HydrophobicContact CE2-CG2 3.72Å; F262-V483 HydrophobicContact CG-CB 4.45Å; F262-V483 HydrophobicContact CG-CG1 3.56Å; F262-V483 HydrophobicContact CG-CG2 4.01Å; F262-V483 HydrophobicContact CZ-CG2 3.96Å; F299-V483 HydrophobicContact CD1-CG2 3.96Å; I480-V483 VanDerWaalsContact O-CG2 3.27Å; I480-V483 WeakPolarHBondContact O-CG2 3.27Å; I480-V483 PolarHBondContact O-N 2.89Å; Q481-V483 VanDerWaalsContact C-N 3.3Å; Q481-V483 PolarHBondContact O-N 3.47Å; V483-N485 PolarHBondContact O-N 3.29Å; V483-Y486 PolarHBondContact O-N 3.07Å; V483-Y486 VanDerWaalsContact O-N 3.1Å; V483-S487 PolarHBondContact O-N 2.88Å
484	H	96.3	Very high	95.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-42	-173.9	179.3	-84.8	0	0	0	113.2	C301 N302 V304 N305 N446 I480 Y486 S487	C301-H484 PolarHBondContact O-CD2 3.04Å; C301-H484 VanDerWaalsContact O-CD2 3.27Å; N302-H484 WeakPolarHBondContact OD1-CA 3.46Å; V304-H484 PolarHBondContact O-NE2 3.44Å; N305-H484 PolarHBondContact OD1-CE1 2.89Å; N446-H484 WeakPolarHBondContact CB-NE2 3.4Å; N446-H484 PolarHBondContact O-CD2 2.86Å; I480-H484 HydrophobicContact CG2-CB 4.31Å; I480-H484 WeakPolarHBondContact O-CB 3.16Å; I480-H484 PolarHBondContact O-N 3.27Å; H484-Y486 PolarHBondContact O-N 3.46Å; H484-S487 VanDerWaalsContact O-CB 3.29Å; H484-S487 WeakPolarHBondContact O-CB 3.44Å; H484-S487 PolarHBondContact O-N 2.76Å
485	N	93.5	Very high	95.2	Very high	72 Å²	72	42.2 Å²	42.2	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	-179.8	-78.1	-48.3	0	0	0	114	P128 Q481 V483	P128-N485 VanDerWaalsContact CB-O 3.31Å; P128-N485 WeakPolarHBondContact CB-O 3.29Å; P128-N485 WeakPolarHBondContact CG-O 3.33Å; Q481-N485 WeakPolarHBondContact O-CB 3.15Å; Q481-N485 PolarHBondContact O-N 2.81Å; Q481-N485 PolarHBondContact O-ND2 2.87Å; Q481-N485 PolarHBondContact OE1-ND2 2.89Å; Q481-N485 VanDerWaalsContact OE1-ND2 3.07Å; Q481-N485 PolarHBondContact OE1-OD1 3.42Å; V483-N485 PolarHBondContact O-N 3.29Å
486	Y	92.5	Very high	94.9	Very high	93 Å²	93	44.9 Å²	44.9	37%	0.365	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	3.5	179	-62.5	-94.3	0	0	0	112.8	P128 R258 T482 V483 H484 G488	P128-Y486 HydrophobicContact CB-CD1 3.64Å; P128-Y486 HydrophobicContact CB-CE1 3.8Å; P128-Y486 HydrophobicContact CB-CG 4.25Å; R258-Y486 VanDerWaalsContact CZ-CG 3.42Å; R258-Y486 VanDerWaalsContact NH1-CD2 3.34Å; R258-Y486 VanDerWaalsContact NH2-CE2 3.28Å; R258-Y486 PolarHBondContact NH2-OH 3.38Å; T482-Y486 WeakPolarHBondContact O-CD2 3.45Å; V483-Y486 PolarHBondContact O-N 3.07Å; V483-Y486 VanDerWaalsContact O-N 3.1Å; H484-Y486 PolarHBondContact O-N 3.46Å; Y486-G488 PolarHBondContact O-N 3.09Å
487	S	93.3	Very high	94.3	Very high	8 Å²	8	45.9 Å²	45.9	6%	0.056	23%	0.234	C	C	.	.			trans	-66.5	132.7	176.6	176.8	0	0	0	0	111.4	N302 V483 H484 L489 Y490 R492	N302-S487 WeakPolarHBondContact CB-OG 3.31Å; N302-S487 PolarHBondContact O-OG 3.16Å; V483-S487 PolarHBondContact O-N 2.88Å; H484-S487 VanDerWaalsContact O-CB 3.29Å; H484-S487 WeakPolarHBondContact O-CB 3.44Å; H484-S487 PolarHBondContact O-N 2.76Å; S487-L489 PolarHBondContact OG-N 3.26Å; S487-Y490 WeakPolarHBondContact O-CE1 3.41Å; S487-R492 PolarHBondContact O-NH2 2.98Å
488	G	92	Very high	93.4	Very high	31 Å²	31	47 Å²	47	32%	0.32	24%	0.243	S	C	.	.			trans	-97.8	2.1	166.6	0	0	0	0	0	113.8	Y486	Y486-G488 PolarHBondContact O-N 3.09Å
489	L	96	Very high	92.1	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	23%	0.23	C	C	.	.			trans	-84.5	-29.6	-167.8	-57.4	172.8	0	0	0	113.8	Q298 N302 F303 S344 G345 S487	Q298-L489 HydrophobicContact CB-CD1 3.73Å; Q298-L489 HydrophobicContact CG-CD1 3.53Å; N302-L489 HydrophobicContact CB-CD1 3.83Å; F303-L489 HydrophobicContact CD1-CB 4.12Å; F303-L489 HydrophobicContact CD1-CD1 4.3Å; F303-L489 HydrophobicContact CD2-CD1 4.26Å; F303-L489 HydrophobicContact CE1-CB 4.33Å; F303-L489 HydrophobicContact CE1-CD1 3.96Å; F303-L489 HydrophobicContact CE2-CD1 3.94Å; F303-L489 HydrophobicContact CG-CD1 4.44Å; F303-L489 HydrophobicContact CZ-CD1 3.78Å; S344-L489 CarbonylContact C-O 3.59Å; S344-L489 VanDerWaalsContact CA-O 3.31Å; S344-L489 WeakPolarHBondContact CA-O 3.32Å; S344-L489 WeakPolarHBondContact CB-O 3.32Å; G345-L489 PolarHBondContact N-O 3.11Å; S487-L489 PolarHBondContact OG-N 3.26Å
490	Y	95.9	Very high	91.3	Very high	20 Å²	20	45.5 Å²	45.5	8%	0.078	24%	0.241	C	C	.	.	S	Bend	trans	-77	150.2	-179.3	55.9	-105.2	0	0	0	112	N302 N305 S487 R492	N302-Y490 WeakPolarHBondContact O-CD1 3.46Å; N302-Y490 PolarHBondContact O-N 2.86Å; N305-Y490 HydrophobicContact CB-CD1 3.76Å; N305-Y490 HydrophobicContact CB-CD2 3.41Å; N305-Y490 VanDerWaalsContact CB-CD2 3.41Å; N305-Y490 HydrophobicContact CB-CE1 4.19Å; N305-Y490 HydrophobicContact CB-CE2 3.87Å; N305-Y490 HydrophobicContact CB-CG 3.35Å; S487-Y490 WeakPolarHBondContact O-CE1 3.41Å; Y490-R492 HydrophobicContact CD2-CG 4.13Å; Y490-R492 HydrophobicContact CE2-CG 3.91Å; Y490-R492 VanDerWaalsContact CE2-CZ 3.46Å; Y490-R492 VanDerWaalsContact CZ-NH2 3.31Å; Y490-R492 PolarHBondContact OH-NH1 2.98Å; Y490-R492 PolarHBondContact OH-NH2 2.76Å
491	L	95.5	Very high	90.7	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.058	25%	0.251	C	S	.	.			trans	-73.8	130.4	176.4	-171.9	65.5	0	0	0	110.7	L307 V349 L362 L494	L307-L491 HydrophobicContact CD2-CB 4.37Å; L307-L491 HydrophobicContact CD2-CD2 3.87Å; L307-L491 HydrophobicContact CD2-CG 4.26Å; V349-L491 HydrophobicContact CG1-CD2 3.79Å; V349-L491 HydrophobicContact CG2-CD1 4.05Å; V349-L491 HydrophobicContact CG2-CD2 4.33Å; L362-L491 HydrophobicContact CD1-CD2 4Å; L491-L494 HydrophobicContact CD2-CD1 3.76Å
492	R	92.9	Very high	90.3	Very high	93 Å²	93	51.8 Å²	51.8	35%	0.351	28%	0.277	S	S	.	.			trans	-96.5	-30.1	179.5	-65.3	179.5	-177.5	-79.5	-7.2	114.1	K82 L307 S487 Y490	K82-R492 WeakPolarHBondContact O-CB 3.44Å; K82-R492 WeakPolarHBondContact O-CD 3.47Å; L307-R492 WeakPolarHBondContact CD1-O 3.27Å; S487-R492 PolarHBondContact O-NH2 2.98Å; Y490-R492 HydrophobicContact CD2-CG 4.13Å; Y490-R492 HydrophobicContact CE2-CG 3.91Å; Y490-R492 VanDerWaalsContact CE2-CZ 3.46Å; Y490-R492 VanDerWaalsContact CZ-NH2 3.31Å; Y490-R492 PolarHBondContact OH-NH1 2.98Å; Y490-R492 PolarHBondContact OH-NH2 2.76Å
493	K	92.8	Very high	90	Very high	89 Å²	89	55 Å²	55	39%	0.387	29%	0.287	S	S	.	.			trans	-145.2	134	-178.3	176	169.4	175.4	176.8	0	111.7	D83	D83-K493 WeakPolarHBondContact O-CD 3.24Å
494	L	93.1	Very high	89.6	Confident	3 Å²	3	57 Å²	57	2%	0.016	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-97.8	138.8	169.5	-156.5	74.1	0	0	0	109.5	V309 I312 L313 F322 L491 A639 E640	V309-L494 HydrophobicContact CB-CD2 4.41Å; V309-L494 HydrophobicContact CG1-CB 3.63Å; V309-L494 HydrophobicContact CG1-CD2 4.17Å; V309-L494 HydrophobicContact CG2-CD2 4.38Å; I312-L494 WeakPolarHBondContact CD1-O 3.49Å; L313-L494 HydrophobicContact CD1-CD2 3.69Å; L313-L494 HydrophobicContact CG-CD2 4.41Å; F322-L494 HydrophobicContact CD1-CD2 4.4Å; F322-L494 HydrophobicContact CE1-CD1 3.93Å; F322-L494 HydrophobicContact CE1-CD2 3.85Å; F322-L494 HydrophobicContact CZ-CD1 3.85Å; F322-L494 HydrophobicContact CZ-CD2 4.24Å; L491-L494 HydrophobicContact CD2-CD1 3.76Å; L494-A639 HydrophobicContact CD1-CB 4.44Å; L494-A639 HydrophobicContact CD2-CB 3.32Å; L494-A639 HydrophobicContact CG-CB 3.7Å; L494-E640 WeakPolarHBondContact CA-OE1 3.3Å; L494-E640 HydrophobicContact CD1-CG 3.69Å; L494-E640 WeakPolarHBondContact CD1-OE1 3.25Å; L494-E640 HydrophobicContact CG-CG 4.31Å; L494-E640 WeakPolarHBondContact CG-OE1 3.12Å
495	N	92.1	Very high	89.5	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.144	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-93.7	142.2	176.4	-73.2	-12	0	0	0	110	R85 A639 E640	R85-N495 PolarHBondContact NH2-ND2 2.99Å; R85-N495 PolarHBondContact NH2-OD1 3.38Å; N495-A639 WeakPolarHBondContact O-CA 3.18Å; N495-A639 WeakPolarHBondContact O-CB 3.21Å; N495-E640 PolarHBondContact N-OE1 3.23Å; N495-E640 PolarHBondContact O-N 2.9Å
496	P	90.5	Very high	89.4	Confident	65 Å²	65	57.1 Å²	57.1	42%	0.422	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-66.2	162.6	173.3	30.3	-35.8	0	0	0	111.3	I312 I498	I312-P496 HydrophobicContact CD1-CB 4.34Å; I312-P496 HydrophobicContact CG1-CB 4.32Å; I312-P496 HydrophobicContact CG2-CB 4.48Å; P496-I498 PolarHBondContact O-N 2.92Å
497	P	85.2	Confident	89.4	Confident	56 Å²	56	58.8 Å²	58.8	36%	0.364	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-59	135.4	166.4	23.6	-30.6	0	0	0	110.3	Y638	P497-Y638 WeakPolarHBondContact CB-O 3.49Å
498	I	77.4	Confident	89.4	Confident	137 Å²	137	58.7 Å²	58.7	70%	0.703	31%	0.311	S	S	*	.			trans	-105.3	-26.5	-179.5	-55.7	168.5	0	0	0	110.8	P496 N641	P496-I498 PolarHBondContact O-N 2.92Å; I498-N641 PolarHBondContact N-OD1 3.32Å
499	Q	72.1	Confident	89.5	Confident	84 Å²	84	60.1 Å²	60.1	39%	0.393	31%	0.307	S	S	.	.	S	Bend	trans	-80	138.4	-169.8	-66.3	-176.6	-18.8	0	0	113.5	V501 I504	Q499-V501 PolarHBondContact O-N 3.39Å; Q499-I504 HydrophobicContact CB-CD1 3.99Å; Q499-I504 HydrophobicContact CG-CD1 4.45Å
500	S	80.4	Confident	89.4	Confident	63 Å²	63	64 Å²	64	44%	0.441	33%	0.325	S	S	.	.			trans	-68.9	113.1	166.2	178.9	0	0	0	0	109.6	I504	S500-I504 WeakPolarHBondContact O-CD1 3.46Å; S500-I504 WeakPolarHBondContact O-CG1 3.44Å
501	V	85.3	Confident	89.4	Confident	33 Å²	33	65 Å²	65	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-73.6	-33.6	-174.7	-173	0	0	0	0	112	Q499 T505 I635 T637	Q499-V501 PolarHBondContact O-N 3.39Å; V501-T505 VanDerWaalsContact O-CB 3.27Å; V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.03Å; V501-T505 PolarHBondContact O-OG1 3.42Å; V501-I635 HydrophobicContact CG1-CB 3.98Å; V501-I635 HydrophobicContact CG1-CG2 4.2Å; V501-I635 WeakPolarHBondContact CG1-O 3.09Å; V501-T637 HydrophobicContact CG2-CG2 3.63Å; V501-T637 WeakPolarHBondContact CG2-OG1 3.42Å
502	D	88.4	Confident	89.4	Confident	128 Å²	128	64.4 Å²	64.4	68%	0.684	33%	0.332	S	S	*	.	H	α-helix	trans	-68.7	-46	-171.5	-67.6	-34.9	0	0	0	112.1	T505 V506	D502-T505 WeakPolarHBondContact O-CB 3.44Å; D502-T505 PolarHBondContact O-N 3.47Å; D502-V506 WeakPolarHBondContact O-CG2 3.41Å; D502-V506 PolarHBondContact O-N 3.38Å
503	E	88.7	Confident	89.5	Confident	130 Å²	130	62.4 Å²	62.4	61%	0.607	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-46	179.1	-67.3	-179.6	-179	0	0	111.4	T505 V506 Q507	E503-T505 VanDerWaalsContact C-N 3.3Å; E503-T505 PolarHBondContact O-N 3.43Å; E503-V506 PolarHBondContact O-N 2.84Å; E503-Q507 WeakPolarHBondContact O-CG 3.41Å; E503-Q507 PolarHBondContact O-N 2.57Å
504	I	88.5	Confident	89.6	Confident	44 Å²	44	65.4 Å²	65.4	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-40.5	178.3	-61.1	173.4	0	0	0	110.2	Q499 S500 Q507 C508 I635	Q499-I504 HydrophobicContact CB-CD1 3.99Å; Q499-I504 HydrophobicContact CG-CD1 4.45Å; S500-I504 WeakPolarHBondContact O-CD1 3.46Å; S500-I504 WeakPolarHBondContact O-CG1 3.44Å; I504-Q507 PolarHBondContact O-N 3.33Å; I504-C508 WeakPolarHBondContact O-CB 3.35Å; I504-C508 PolarHBondContact O-N 2.77Å; I504-I635 HydrophobicContact CG2-CD1 3.84Å
505	T	92.6	Very high	89.7	Confident	12 Å²	12	67.3 Å²	67.3	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-45.6	177.4	-62.4	0	0	0	0	111.3	V501 D502 E503 R509 L633 I635	V501-T505 VanDerWaalsContact O-CB 3.27Å; V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.03Å; V501-T505 PolarHBondContact O-OG1 3.42Å; D502-T505 WeakPolarHBondContact O-CB 3.44Å; D502-T505 PolarHBondContact O-N 3.47Å; E503-T505 VanDerWaalsContact C-N 3.3Å; E503-T505 PolarHBondContact O-N 3.43Å; T505-R509 VanDerWaalsContact O-CB 3.28Å; T505-R509 WeakPolarHBondContact O-CB 3.22Å; T505-R509 PolarHBondContact O-N 2.92Å; T505-L633 HydrophobicContact CG2-CD2 3.69Å; T505-I635 WeakPolarHBondContact OG1-CB 3.28Å
506	V	92.4	Very high	89.8	Confident	64 Å²	64	66.1 Å²	66.1	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-49.2	178.4	173.2	0	0	0	0	110.9	D502 E503 C508 R509 E510	D502-V506 WeakPolarHBondContact O-CG2 3.41Å; D502-V506 PolarHBondContact O-N 3.38Å; E503-V506 PolarHBondContact O-N 2.84Å; V506-C508 PolarHBondContact O-N 2.78Å; V506-R509 PolarHBondContact O-N 3.45Å; V506-E510 PolarHBondContact O-N 3.42Å
507	Q	92.2	Very high	89.9	Confident	129 Å²	129	65 Å²	65	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-44.8	179.3	-70.5	177.3	2.6	0	0	112.2	E503 I504 R509 E510 S511	E503-Q507 WeakPolarHBondContact O-CG 3.41Å; E503-Q507 PolarHBondContact O-N 2.57Å; I504-Q507 PolarHBondContact O-N 3.33Å; Q507-R509 VanDerWaalsContact C-N 3.34Å; Q507-R509 PolarHBondContact O-N 3.36Å; Q507-E510 PolarHBondContact O-N 2.9Å; Q507-S511 WeakPolarHBondContact O-CB 3.42Å; Q507-S511 PolarHBondContact O-N 2.77Å
508	C	92.7	Very high	90.3	Very high	6 Å²	6	66 Å²	66	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-44.4	177	-178.5	0	0	0	0	111.2	I504 V506 S511 L512 C601 I635	I504-C508 WeakPolarHBondContact O-CB 3.35Å; I504-C508 PolarHBondContact O-N 2.77Å; V506-C508 PolarHBondContact O-N 2.78Å; C508-S511 PolarHBondContact O-N 2.88Å; C508-L512 VanDerWaalsContact O-CB 3.24Å; C508-L512 WeakPolarHBondContact O-CB 3.41Å; C508-L512 PolarHBondContact O-N 3.44Å; C508-C601 PolarHBondContact SG-O 3.4Å; C508-I635 HydrophobicContact CB-CD1 4.16Å
509	R	94.5	Very high	91	Very high	61 Å²	61	61.7 Å²	61.7	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-49.5	178.4	-172.3	-171.2	-56.8	131.1	1	112	T505 V506 Q507 L512 R513 L631	T505-R509 VanDerWaalsContact O-CB 3.28Å; T505-R509 WeakPolarHBondContact O-CB 3.22Å; T505-R509 PolarHBondContact O-N 2.92Å; V506-R509 PolarHBondContact O-N 3.45Å; Q507-R509 VanDerWaalsContact C-N 3.34Å; Q507-R509 PolarHBondContact O-N 3.36Å; R509-L512 PolarHBondContact O-N 3.43Å; R509-R513 PolarHBondContact O-N 3.22Å; R509-L631 HydrophobicContact CG-CD2 3.88Å; R509-L631 HydrophobicContact CG-CG 4.49Å
510	E	94.9	Very high	92	Very high	89 Å²	89	57.9 Å²	57.9	42%	0.416	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-45.5	178.6	-72.9	-173.1	-175.2	0	0	112.2	V506 Q507 L512 R513 R514	V506-E510 PolarHBondContact O-N 3.42Å; Q507-E510 PolarHBondContact O-N 2.9Å; E510-L512 VanDerWaalsContact C-N 3.3Å; E510-L512 PolarHBondContact O-N 2.92Å; E510-R513 PolarHBondContact O-N 3.1Å; E510-R514 WeakPolarHBondContact O-CG 3.13Å; E510-R514 PolarHBondContact O-N 3.39Å; E510-R514 VanDerWaalsContact O-N 3.09Å; E510-R514 IonicContact OE2-CZ 3.74Å; E510-R514 IonicContact OE2-NH1 3.17Å; E510-R514 IonicContact OE2-NH2 2.85Å; E510-R514 PolarHBondContact OE2-NH2 3.05Å
511	S	95.2	Very high	92.4	Very high	40 Å²	40	57 Å²	57	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-40.3	177.6	-174.2	0	0	0	0	111.4	Q507 C508 R514 L515	Q507-S511 WeakPolarHBondContact O-CB 3.42Å; Q507-S511 PolarHBondContact O-N 2.77Å; C508-S511 PolarHBondContact O-N 2.88Å; S511-R514 PolarHBondContact O-N 3.27Å; S511-L515 VanDerWaalsContact O-CG 3.27Å; S511-L515 WeakPolarHBondContact O-CG 3.38Å; S511-L515 PolarHBondContact O-N 3.43Å
512	L	95.4	Very high	92.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.2	-38.6	179.8	-173.2	59.4	0	0	0	112	C508 R509 E510 L515 A516 P603 I606 L607 L631 L633 V647 F649	C508-L512 VanDerWaalsContact O-CB 3.24Å; C508-L512 WeakPolarHBondContact O-CB 3.41Å; C508-L512 PolarHBondContact O-N 3.44Å; R509-L512 PolarHBondContact O-N 3.43Å; E510-L512 VanDerWaalsContact C-N 3.3Å; E510-L512 PolarHBondContact O-N 2.92Å; L512-L515 PolarHBondContact O-N 3.13Å; L512-A516 WeakPolarHBondContact O-CB 3.34Å; L512-A516 PolarHBondContact O-N 3.14Å; L512-P603 HydrophobicContact CB-CB 4.39Å; L512-P603 WeakPolarHBondContact CD1-O 3.28Å; L512-I606 HydrophobicContact CD1-CB 4.28Å; L512-I606 HydrophobicContact CD1-CG2 3.95Å; L512-I606 HydrophobicContact CD2-CG2 3.69Å; L512-L607 HydrophobicContact CD1-CB 3.82Å; L512-L631 HydrophobicContact CB-CD2 4.07Å; L512-L631 HydrophobicContact CD2-CD1 3.84Å; L512-L631 HydrophobicContact CD2-CD2 3.94Å; L512-L631 HydrophobicContact CG-CD2 4.08Å; L512-L633 HydrophobicContact CD2-CD1 3.92Å; L512-V647 HydrophobicContact CD2-CG1 4.04Å; L512-F649 HydrophobicContact CD1-CZ 4.04Å; L512-F649 HydrophobicContact CD2-CE2 4.36Å; L512-F649 HydrophobicContact CD2-CZ 3.91Å; L512-F649 HydrophobicContact CG-CZ 3.86Å
513	R	95.3	Very high	92.7	Very high	51 Å²	51	62.9 Å²	62.9	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-49.2	172	-75.7	-175.9	176.8	177.2	-9.6	111.8	R509 E510 L515 A516 D517 W534 N536 E539 L631	R509-R513 PolarHBondContact O-N 3.22Å; E510-R513 PolarHBondContact O-N 3.1Å; R513-L515 VanDerWaalsContact C-N 3.29Å; R513-L515 PolarHBondContact O-N 2.69Å; R513-A516 PolarHBondContact O-N 3.27Å; R513-A516 VanDerWaalsContact O-N 3.16Å; R513-D517 PolarHBondContact O-N 2.79Å; R513-W534 HydrophobicContact CB-CZ2 4.18Å; R513-W534 HydrophobicContact CG-CD2 4.19Å; R513-W534 HydrophobicContact CG-CE3 4.33Å; R513-W534 HydrophobicContact CG-CH2 4.21Å; R513-W534 HydrophobicContact CG-CZ2 4.04Å; R513-W534 HydrophobicContact CG-CZ3 4.35Å; R513-N536 PolarHBondContact NH2-OD1 3.17Å; R513-E539 IonicContact CZ-OE1 2.65Å; R513-E539 IonicContact CZ-OE2 2.86Å; R513-E539 IonicContact NE-OE1 2.66Å; R513-E539 PolarHBondContact NE-OE1 3.21Å; R513-E539 IonicContact NE-OE2 2.88Å; R513-E539 IonicContact NH2-OE1 2.67Å; R513-E539 PolarHBondContact NH2-OE1 3.44Å; R513-E539 IonicContact NH2-OE2 2.95Å; R513-E539 PolarHBondContact NH2-OE2 3.44Å; R513-L631 HydrophobicContact CG-CD2 3.84Å
514	R	94.7	Very high	92.6	Very high	151 Å²	151	57.8 Å²	57.8	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-57.6	-41.7	178.1	-68.9	177.5	-166.3	120.6	10.4	112	E510 S511 S518	E510-R514 WeakPolarHBondContact O-CG 3.13Å; E510-R514 PolarHBondContact O-N 3.39Å; E510-R514 VanDerWaalsContact O-N 3.09Å; E510-R514 IonicContact OE2-CZ 3.74Å; E510-R514 IonicContact OE2-NH1 3.17Å; E510-R514 IonicContact OE2-NH2 2.85Å; E510-R514 PolarHBondContact OE2-NH2 3.05Å; S511-R514 PolarHBondContact O-N 3.27Å; R514-S518 WeakPolarHBondContact O-CB 3.47Å; R514-S518 PolarHBondContact O-N 3.09Å; R514-S518 PolarHBondContact O-OG 3.13Å
515	L	95.3	Very high	92.5	Very high	43 Å²	43	64.6 Å²	64.6	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-41.3	177.3	-69.2	169.2	0	0	0	112.1	S511 L512 R513 S518 W519 P603 Q604 L607	S511-L515 VanDerWaalsContact O-CG 3.27Å; S511-L515 WeakPolarHBondContact O-CG 3.38Å; S511-L515 PolarHBondContact O-N 3.43Å; L512-L515 PolarHBondContact O-N 3.13Å; R513-L515 VanDerWaalsContact C-N 3.29Å; R513-L515 PolarHBondContact O-N 2.69Å; L515-S518 PolarHBondContact O-N 3.38Å; L515-W519 WeakPolarHBondContact O-CB 3.49Å; L515-W519 PolarHBondContact O-N 3.14Å; L515-P603 HydrophobicContact CD1-CB 3.8Å; L515-Q604 HydrophobicContact CD1-CB 4.33Å; L515-Q604 HydrophobicContact CD1-CG 3.71Å; L515-Q604 HydrophobicContact CD2-CG 4.25Å; L515-L607 HydrophobicContact CB-CD2 3.61Å
516	A	94.4	Very high	91.7	Very high	2 Å²	2	65.8 Å²	65.8	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-42.2	176.2	0	0	0	0	0	111.8	L512 R513 W519 R520 W534 L607 L620 F649	L512-A516 WeakPolarHBondContact O-CB 3.34Å; L512-A516 PolarHBondContact O-N 3.14Å; R513-A516 PolarHBondContact O-N 3.27Å; R513-A516 VanDerWaalsContact O-N 3.16Å; A516-W519 PolarHBondContact O-N 3.29Å; A516-R520 VanDerWaalsContact O-CB 3.26Å; A516-R520 WeakPolarHBondContact O-CB 3.48Å; A516-R520 PolarHBondContact O-N 3.27Å; A516-W534 HydrophobicContact CB-CH2 4.29Å; A516-W534 HydrophobicContact CB-CZ2 4.18Å; A516-L607 HydrophobicContact CB-CD1 4.5Å; A516-L620 HydrophobicContact CB-CD2 4.24Å; A516-F649 HydrophobicContact CB-CE1 4.22Å
517	D	93.4	Very high	90.5	Very high	43 Å²	43	70 Å²	70	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-45.4	174.3	-73.4	-34	0	0	0	110.9	R513 R520 M521 W532 W534	R513-D517 PolarHBondContact O-N 2.79Å; D517-R520 PolarHBondContact O-N 2.8Å; D517-M521 WeakPolarHBondContact O-CB 3.35Å; D517-M521 VanDerWaalsContact O-CG 3.25Å; D517-M521 WeakPolarHBondContact O-CG 3.35Å; D517-M521 PolarHBondContact O-N 2.88Å; D517-W532 PolarHBondContact OD1-NE1 3.4Å; D517-W534 PolarHBondContact OD1-NE1 2.94Å; D517-W534 PolarHBondContact OD2-NE1 3.42Å; D517-W534 VanDerWaalsContact OD2-NE1 3.13Å
518	S	92.7	Very high	89.2	Confident	75 Å²	75	70.7 Å²	70.7	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-48.5	177.7	-58.1	0	0	0	0	111.7	R514 L515 R520 M521 E522	R514-S518 WeakPolarHBondContact O-CB 3.47Å; R514-S518 PolarHBondContact O-N 3.09Å; R514-S518 PolarHBondContact O-OG 3.13Å; L515-S518 PolarHBondContact O-N 3.38Å; S518-R520 VanDerWaalsContact C-N 3.32Å; S518-R520 PolarHBondContact O-N 3.32Å; S518-M521 PolarHBondContact O-N 2.9Å; S518-E522 PolarHBondContact O-N 2.98Å; S518-E522 VanDerWaalsContact O-N 3.1Å
519	W	93.1	Very high	87.9	Confident	48 Å²	48	78 Å²	78	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-42	176.5	178.5	85.6	0	0	0	111.9	L515 A516 E522 K523 L607 L611 R617 L620	L515-W519 WeakPolarHBondContact O-CB 3.49Å; L515-W519 PolarHBondContact O-N 3.14Å; A516-W519 PolarHBondContact O-N 3.29Å; W519-E522 PolarHBondContact O-N 3.49Å; W519-K523 HydrophobicContact CE3-CB 4.46Å; W519-K523 HydrophobicContact CH2-CB 4.31Å; W519-K523 HydrophobicContact CH2-CG 3.96Å; W519-K523 HydrophobicContact CZ2-CB 4.38Å; W519-K523 HydrophobicContact CZ2-CD 4.33Å; W519-K523 HydrophobicContact CZ2-CG 4.15Å; W519-K523 HydrophobicContact CZ3-CB 4.32Å; W519-K523 HydrophobicContact CZ3-CG 4.36Å; W519-K523 VanDerWaalsContact O-CB 3.29Å; W519-K523 WeakPolarHBondContact O-CB 3.45Å; W519-K523 PolarHBondContact O-N 3Å; W519-L607 HydrophobicContact CB-CD2 4.34Å; W519-L611 HydrophobicContact CD2-CD1 4.19Å; W519-L611 HydrophobicContact CD2-CD2 3.9Å; W519-L611 HydrophobicContact CE3-CD2 4.29Å; W519-L611 HydrophobicContact CG-CD1 3.95Å; W519-L611 HydrophobicContact CH2-CD2 3.99Å; W519-L611 HydrophobicContact CZ2-CD2 3.57Å; W519-L611 HydrophobicContact CZ3-CD2 4.35Å; W519-R617 HydrophobicContact CH2-CB 4.49Å; W519-R617 HydrophobicContact CZ2-CG 4.46Å; W519-L620 HydrophobicContact CE3-CB 3.98Å; W519-L620 HydrophobicContact CH2-CB 4.29Å; W519-L620 HydrophobicContact CZ3-CB 3.48Å; W519-L620 VanDerWaalsContact CZ3-CB 3.48Å
520	R	91.1	Very high	86.7	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.015	39%	0.393	C	S	.	.	H	α-helix	trans	-67.3	-42.5	179.9	-177.9	174.5	167.4	86.3	0.2	111.6	A516 D517 S518 E522 K523 L524 W532 L620 C622	A516-R520 VanDerWaalsContact O-CB 3.26Å; A516-R520 WeakPolarHBondContact O-CB 3.48Å; A516-R520 PolarHBondContact O-N 3.27Å; D517-R520 PolarHBondContact O-N 2.8Å; S518-R520 VanDerWaalsContact C-N 3.32Å; S518-R520 PolarHBondContact O-N 3.32Å; R520-E522 VanDerWaalsContact C-N 3.33Å; R520-E522 PolarHBondContact O-N 3.2Å; R520-K523 PolarHBondContact O-N 3.04Å; R520-L524 HydrophobicContact CG-CD1 3.67Å; R520-L524 HydrophobicContact CG-CG 4.14Å; R520-L524 VanDerWaalsContact CZ-CD1 3.48Å; R520-L524 VanDerWaalsContact O-CB 3.31Å; R520-L524 WeakPolarHBondContact O-CB 3.39Å; R520-L524 WeakPolarHBondContact O-CG 3.42Å; R520-L524 PolarHBondContact O-N 2.89Å; R520-W532 HydrophobicContact CB-CH2 4.21Å; R520-W532 HydrophobicContact CB-CZ2 4.12Å; R520-W532 HydrophobicContact CG-CH2 3.71Å; R520-W532 HydrophobicContact CG-CZ2 3.9Å; R520-W532 HydrophobicContact CG-CZ3 4.08Å; R520-L620 WeakPolarHBondContact CD-O 3.17Å; R520-L620 PolarHBondContact NH1-O 3.39Å; R520-C622 VanDerWaalsContact CZ-O 3.28Å; R520-C622 PolarHBondContact NH1-O 3.02Å; R520-C622 PolarHBondContact NH2-O 3.49Å
521	M	89.9	Confident	85.9	Confident	43 Å²	43	80.7 Å²	80.7	21%	0.212	40%	0.399	C	S	.	.	H	α-helix	trans	-58	-46.1	175.6	-74.2	-67.8	-77.6	0	0	111.4	D517 S518 K525 C526 W532	D517-M521 WeakPolarHBondContact O-CB 3.35Å; D517-M521 VanDerWaalsContact O-CG 3.25Å; D517-M521 WeakPolarHBondContact O-CG 3.35Å; D517-M521 PolarHBondContact O-N 2.88Å; S518-M521 PolarHBondContact O-N 2.9Å; M521-K525 WeakPolarHBondContact O-CA 3.33Å; M521-K525 PolarHBondContact O-N 3.03Å; M521-C526 HydrophobicContact CE-CB 4.08Å; M521-C526 WeakPolarHBondContact CE-O 3.47Å; M521-C526 PolarHBondContact O-N 2.97Å; M521-C526 HydrophobicContact SD-CB 3.72Å; M521-W532 HydrophobicContact CG-CH2 3.88Å; M521-W532 HydrophobicContact CG-CZ2 4.31Å; M521-W532 HydrophobicContact SD-CH2 3.51Å; M521-W532 VanDerWaalsContact SD-CH2 3.51Å; M521-W532 HydrophobicContact SD-CZ2 4.33Å; M521-W532 HydrophobicContact SD-CZ3 4.25Å
522	E	90.7	Very high	85.5	Confident	154 Å²	154	79.1 Å²	79.1	72%	0.72	39%	0.387	S	S	*	.	H	α-helix	trans	-62	-49.5	175.3	-173.5	-174.6	173.3	0	0	111.4	S518 W519 R520 L524 K525	S518-E522 PolarHBondContact O-N 2.98Å; S518-E522 VanDerWaalsContact O-N 3.1Å; W519-E522 PolarHBondContact O-N 3.49Å; R520-E522 VanDerWaalsContact C-N 3.33Å; R520-E522 PolarHBondContact O-N 3.2Å; E522-L524 VanDerWaalsContact C-N 3.32Å; E522-L524 PolarHBondContact O-N 2.83Å; E522-K525 PolarHBondContact O-N 2.56Å
523	K	89	Confident	85.3	Confident	132 Å²	132	86.9 Å²	86.9	57%	0.574	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-36	-177.7	-173.2	63.6	178.8	-177.7	0	113	W519 R520	W519-K523 HydrophobicContact CE3-CB 4.46Å; W519-K523 HydrophobicContact CH2-CB 4.31Å; W519-K523 HydrophobicContact CH2-CG 3.96Å; W519-K523 HydrophobicContact CZ2-CB 4.38Å; W519-K523 HydrophobicContact CZ2-CD 4.33Å; W519-K523 HydrophobicContact CZ2-CG 4.15Å; W519-K523 HydrophobicContact CZ3-CB 4.32Å; W519-K523 HydrophobicContact CZ3-CG 4.36Å; W519-K523 VanDerWaalsContact O-CB 3.29Å; W519-K523 WeakPolarHBondContact O-CB 3.45Å; W519-K523 PolarHBondContact O-N 3Å; R520-K523 PolarHBondContact O-N 3.04Å
524	L	87.2	Confident	85.2	Confident	23 Å²	23	86.7 Å²	86.7	12%	0.12	42%	0.42	C	S	.	.	H	α-helix	trans	-89.2	-8.2	-179.9	-63.5	-177.7	0	0	0	113.6	R520 E522 C526 W532 R623	R520-L524 HydrophobicContact CG-CD1 3.67Å; R520-L524 HydrophobicContact CG-CG 4.14Å; R520-L524 VanDerWaalsContact CZ-CD1 3.48Å; R520-L524 VanDerWaalsContact O-CB 3.31Å; R520-L524 WeakPolarHBondContact O-CB 3.39Å; R520-L524 WeakPolarHBondContact O-CG 3.42Å; R520-L524 PolarHBondContact O-N 2.89Å; E522-L524 VanDerWaalsContact C-N 3.32Å; E522-L524 PolarHBondContact O-N 2.83Å; L524-C526 VanDerWaalsContact CB-SG 3.57Å; L524-C526 PolarHBondContact O-N 2.94Å; L524-W532 HydrophobicContact CD1-CZ3 4.12Å; L524-R623 HydrophobicContact CD2-CG 3.78Å
525	K	85	Confident	85.3	Confident	187 Å²	187	80.4 Å²	80.4	81%	0.813	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	38.6	-174.2	-55.1	-176.3	178.3	-175.4	0	112.2	M521 E522	M521-K525 WeakPolarHBondContact O-CA 3.33Å; M521-K525 PolarHBondContact O-N 3.03Å; E522-K525 PolarHBondContact O-N 2.56Å
526	C	76	Confident	85.2	Confident	36 Å²	36	82.8 Å²	82.8	24%	0.243	41%	0.411	C	S	.	.			trans	-86.2	127.5	178	-67.7	0	0	0	0	109.4	M521 L524	M521-C526 HydrophobicContact CE-CB 4.08Å; M521-C526 WeakPolarHBondContact CE-O 3.47Å; M521-C526 PolarHBondContact O-N 2.97Å; M521-C526 HydrophobicContact SD-CB 3.72Å; L524-C526 VanDerWaalsContact CB-SG 3.57Å; L524-C526 PolarHBondContact O-N 2.94Å
527	N	67.2	Low	85.3	Confident	152 Å²	152	87.9 Å²	87.9	81%	0.813	43%	0.433	S	S	*	.	S	Bend	trans	-89.8	-14.3	-175.8	-82.3	-1.5	0	0	0	115.3
528	N	65.6	Low	85.3	Confident	144 Å²	144	85.8 Å²	85.8	77%	0.77	42%	0.422	S	S	*	.	S	Bend	trans	179.3	-8.5	171.7	-90.3	-26.1	0	0	0	115.2	I530	N528-I530 PolarHBondContact O-N 2.79Å
529	H	65.5	Low	85.4	Confident	160 Å²	160	83 Å²	83	74%	0.741	40%	0.401	S	S	*	.			trans	-87.5	98	178.4	-65.8	-60.4	0	0	0	111.1	T531	H529-T531 PolarHBondContact O-N 2.73Å; H529-T531 VanDerWaalsContact O-N 3.12Å
530	I	68.4	Low	85.5	Confident	117 Å²	117	86.3 Å²	86.3	60%	0.6	42%	0.418	S	S	*	.			trans	-68.3	105.7	170.4	-58.4	172	0	0	0	107.8	N528 W532	N528-I530 PolarHBondContact O-N 2.79Å; I530-W532 HydrophobicContact CG2-CD2 3.88Å; I530-W532 HydrophobicContact CG2-CE3 4.26Å; I530-W532 HydrophobicContact CG2-CG 4.23Å; I530-W532 HydrophobicContact CG2-CZ2 4.38Å; I530-W532 VanDerWaalsContact CG2-O 3.27Å; I530-W532 WeakPolarHBondContact CG2-O 3.34Å
531	T	78.6	Confident	85.7	Confident	89 Å²	89	87.6 Å²	87.6	55%	0.546	43%	0.425	S	S	.	.			trans	-88.8	-6.2	179.6	52.5	0	0	0	0	113.7	H529	H529-T531 PolarHBondContact O-N 2.73Å; H529-T531 VanDerWaalsContact O-N 3.12Å
532	W	87.4	Confident	86	Confident	7 Å²	7	85.5 Å²	85.5	3%	0.027	42%	0.415	C	S	.	.			trans	-112.7	164.7	-179.1	62.7	96.7	0	0	0	112	D517 R520 M521 L524 I530 V627 L629	D517-W532 PolarHBondContact OD1-NE1 3.4Å; R520-W532 HydrophobicContact CB-CH2 4.21Å; R520-W532 HydrophobicContact CB-CZ2 4.12Å; R520-W532 HydrophobicContact CG-CH2 3.71Å; R520-W532 HydrophobicContact CG-CZ2 3.9Å; R520-W532 HydrophobicContact CG-CZ3 4.08Å; M521-W532 HydrophobicContact CG-CH2 3.88Å; M521-W532 HydrophobicContact CG-CZ2 4.31Å; M521-W532 HydrophobicContact SD-CH2 3.51Å; M521-W532 VanDerWaalsContact SD-CH2 3.51Å; M521-W532 HydrophobicContact SD-CZ2 4.33Å; M521-W532 HydrophobicContact SD-CZ3 4.25Å; L524-W532 HydrophobicContact CD1-CZ3 4.12Å; I530-W532 HydrophobicContact CG2-CD2 3.88Å; I530-W532 HydrophobicContact CG2-CE3 4.26Å; I530-W532 HydrophobicContact CG2-CG 4.23Å; I530-W532 HydrophobicContact CG2-CZ2 4.38Å; I530-W532 VanDerWaalsContact CG2-O 3.27Å; I530-W532 WeakPolarHBondContact CG2-O 3.34Å; W532-V627 WeakPolarHBondContact CA-O 3.44Å; W532-V627 HydrophobicContact CB-CB 4.21Å; W532-V627 HydrophobicContact CB-CG1 4.19Å; W532-V627 WeakPolarHBondContact CB-O 3.33Å; W532-L629 HydrophobicContact CG-CD1 4.15Å
533	K	91.2	Very high	86.2	Confident	164 Å²	164	81.3 Å²	81.3	71%	0.713	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.9	172.9	-67	-176	178.7	-180	0	110.6	V627 Q628 L629	K533-V627 PolarHBondContact N-O 3.32Å; K533-V627 VanDerWaalsContact N-O 3.16Å; K533-Q628 CarbonylContact O-C 3.53Å; K533-Q628 VanDerWaalsContact O-CA 3.27Å; K533-Q628 WeakPolarHBondContact O-CA 3.46Å; K533-L629 PolarHBondContact O-N 3.03Å
534	W	94	Very high	86.5	Confident	46 Å²	46	78 Å²	78	17%	0.174	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.9	168.5	-72.3	100.2	0	0	0	109.7	R513 A516 D517 N536 L629 L631	R513-W534 HydrophobicContact CB-CZ2 4.18Å; R513-W534 HydrophobicContact CG-CD2 4.19Å; R513-W534 HydrophobicContact CG-CE3 4.33Å; R513-W534 HydrophobicContact CG-CH2 4.21Å; R513-W534 HydrophobicContact CG-CZ2 4.04Å; R513-W534 HydrophobicContact CG-CZ3 4.35Å; A516-W534 HydrophobicContact CB-CH2 4.29Å; A516-W534 HydrophobicContact CB-CZ2 4.18Å; D517-W534 PolarHBondContact OD1-NE1 2.94Å; D517-W534 PolarHBondContact OD2-NE1 3.42Å; D517-W534 VanDerWaalsContact OD2-NE1 3.13Å; W534-N536 PolarHBondContact O-N 3.25Å; W534-L629 CarbonylContact C-O 3.59Å; W534-L629 VanDerWaalsContact CA-O 3.28Å; W534-L629 WeakPolarHBondContact CA-O 3.28Å; W534-L629 HydrophobicContact CD2-CB 4.14Å; W534-L629 HydrophobicContact CE3-CB 3.74Å; W534-L629 HydrophobicContact CH2-CB 4.12Å; W534-L629 HydrophobicContact CH2-CD1 4.38Å; W534-L629 HydrophobicContact CZ2-CB 4.49Å; W534-L629 HydrophobicContact CZ2-CD1 4.28Å; W534-L629 HydrophobicContact CZ3-CB 3.73Å; W534-L631 HydrophobicContact CE3-CB 4.39Å; W534-L631 HydrophobicContact CH2-CB 4.43Å; W534-L631 HydrophobicContact CZ3-CB 3.74Å
535	D	95.1	Very high	86.9	Confident	20 Å²	20	77.4 Å²	77.4	11%	0.107	39%	0.386	C	S	.	.			trans	-90.2	92.1	178.5	-173.9	-13.9	0	0	0	110.6	K537 L538 E539 H584 Q628 L629	D535-K537 PolarHBondContact O-N 3.11Å; D535-K537 WeakPolarHBondContact OD1-CA 3.48Å; D535-K537 WeakPolarHBondContact OD1-CB 3.45Å; D535-K537 PolarHBondContact OD1-N 3.06Å; D535-L538 HydrophobicContact CB-CB 3.93Å; D535-L538 VanDerWaalsContact CG-CB 3.47Å; D535-L538 PolarHBondContact O-N 3.2Å; D535-L538 PolarHBondContact OD1-N 3.23Å; D535-L538 WeakPolarHBondContact OD2-CB 3.37Å; D535-E539 WeakPolarHBondContact O-CG 3.21Å; D535-E539 PolarHBondContact O-N 2.84Å; D535-E539 VanDerWaalsContact O-N 3.07Å; D535-H584 IonicContact OD1-NE2 3.48Å; D535-H584 PolarHBondContact OD1-NE2 2.94Å; D535-H584 IonicContact OD2-CD2 3.62Å; D535-H584 IonicContact OD2-CE1 3.77Å; D535-H584 IonicContact OD2-NE2 2.74Å; D535-H584 PolarHBondContact OD2-NE2 3.16Å; D535-Q628 HydrophobicContact CB-CB 4.26Å; D535-L629 PolarHBondContact N-O 2.97Å
536	N	94.4	Very high	87.3	Confident	93 Å²	93	68.5 Å²	68.5	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-26.4	178	-63.4	-36.7	0	0	0	113.1	R513 W534 Q540	R513-N536 PolarHBondContact NH2-OD1 3.17Å; W534-N536 PolarHBondContact O-N 3.25Å; N536-Q540 WeakPolarHBondContact O-CG 3.39Å; N536-Q540 PolarHBondContact O-N 2.9Å
537	K	95.1	Very high	88.2	Confident	108 Å²	108	68.5 Å²	68.5	47%	0.47	35%	0.349	S	S	.	.	H	α-helix	trans	-77	-45.5	-179.6	-177.4	61.4	179	178.1	0	110.1	D535 E539 Q540 L541 H584	D535-K537 PolarHBondContact O-N 3.11Å; D535-K537 WeakPolarHBondContact OD1-CA 3.48Å; D535-K537 WeakPolarHBondContact OD1-CB 3.45Å; D535-K537 PolarHBondContact OD1-N 3.06Å; K537-E539 PolarHBondContact O-N 3.13Å; K537-Q540 WeakPolarHBondContact O-CB 3.48Å; K537-Q540 PolarHBondContact O-N 2.8Å; K537-Q540 VanDerWaalsContact O-N 3.15Å; K537-L541 WeakPolarHBondContact O-CG 3.35Å; K537-L541 PolarHBondContact O-N 2.88Å; K537-L541 VanDerWaalsContact O-N 3.11Å; K537-H584 VanDerWaalsContact CG-CE1 3.41Å; K537-H584 WeakPolarHBondContact CG-CE1 3.45Å
538	L	95.1	Very high	89.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-39.2	173.3	-178.5	57	0	0	0	111.1	D535 Q540 L541 L542 I581 F591 A630	D535-L538 HydrophobicContact CB-CB 3.93Å; D535-L538 VanDerWaalsContact CG-CB 3.47Å; D535-L538 PolarHBondContact O-N 3.2Å; D535-L538 PolarHBondContact OD1-N 3.23Å; D535-L538 WeakPolarHBondContact OD2-CB 3.37Å; L538-Q540 PolarHBondContact O-N 2.89Å; L538-L541 CarbonylContact O-C 3.53Å; L538-L541 WeakPolarHBondContact O-CB 3.27Å; L538-L541 PolarHBondContact O-N 3.49Å; L538-L541 VanDerWaalsContact O-N 3.09Å; L538-L542 WeakPolarHBondContact O-CG 3.44Å; L538-L542 PolarHBondContact O-N 3.44Å; L538-I581 HydrophobicContact CD1-CG2 4.13Å; L538-F591 HydrophobicContact CD1-CE2 4.23Å; L538-F591 HydrophobicContact CD2-CD2 4.49Å; L538-F591 HydrophobicContact CD2-CE2 4.11Å; L538-A630 HydrophobicContact CB-CB 3.93Å; L538-A630 HydrophobicContact CD2-CB 3.66Å; L538-A630 HydrophobicContact CG-CB 3.66Å
539	E	94.6	Very high	90.6	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-43.8	174.1	-73.3	-172.7	-173.8	0	0	114.1	R513 D535 K537 L541 L542 A630 L631	R513-E539 IonicContact CZ-OE1 2.65Å; R513-E539 IonicContact CZ-OE2 2.86Å; R513-E539 IonicContact NE-OE1 2.66Å; R513-E539 PolarHBondContact NE-OE1 3.21Å; R513-E539 IonicContact NE-OE2 2.88Å; R513-E539 IonicContact NH2-OE1 2.67Å; R513-E539 PolarHBondContact NH2-OE1 3.44Å; R513-E539 IonicContact NH2-OE2 2.95Å; R513-E539 PolarHBondContact NH2-OE2 3.44Å; D535-E539 WeakPolarHBondContact O-CG 3.21Å; D535-E539 PolarHBondContact O-N 2.84Å; D535-E539 VanDerWaalsContact O-N 3.07Å; K537-E539 PolarHBondContact O-N 3.13Å; E539-L541 VanDerWaalsContact C-N 3.26Å; E539-L541 PolarHBondContact O-N 3.48Å; E539-L542 PolarHBondContact O-N 3.16Å; E539-A630 HydrophobicContact CG-CB 3.73Å; E539-L631 VanDerWaalsContact CG-O 3.29Å; E539-L631 WeakPolarHBondContact CG-O 3.41Å; E539-L631 PolarHBondContact OE1-N 3.38Å
540	Q	94.8	Very high	92	Very high	117 Å²	117	51 Å²	51	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.2	-70.8	176.7	-9.8	0	0	111.5	N536 K537 L538 L542 L543 P544	N536-Q540 WeakPolarHBondContact O-CG 3.39Å; N536-Q540 PolarHBondContact O-N 2.9Å; K537-Q540 WeakPolarHBondContact O-CB 3.48Å; K537-Q540 PolarHBondContact O-N 2.8Å; K537-Q540 VanDerWaalsContact O-N 3.15Å; L538-Q540 PolarHBondContact O-N 2.89Å; Q540-L542 VanDerWaalsContact C-N 3.28Å; Q540-L542 PolarHBondContact O-N 2.75Å; Q540-L543 PolarHBondContact O-N 2.85Å; Q540-P544 WeakPolarHBondContact O-CD 3.38Å
541	L	95.8	Very high	93	Very high	31 Å²	31	47.5 Å²	47.5	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-21.1	177.3	-62.7	174	0	0	0	113.1	K537 L538 E539 P544 P580 I581 H584	K537-L541 WeakPolarHBondContact O-CG 3.35Å; K537-L541 PolarHBondContact O-N 2.88Å; K537-L541 VanDerWaalsContact O-N 3.11Å; L538-L541 CarbonylContact O-C 3.53Å; L538-L541 WeakPolarHBondContact O-CB 3.27Å; L538-L541 PolarHBondContact O-N 3.49Å; L538-L541 VanDerWaalsContact O-N 3.09Å; E539-L541 VanDerWaalsContact C-N 3.26Å; E539-L541 PolarHBondContact O-N 3.48Å; L541-P544 WeakPolarHBondContact O-CD 3.37Å; L541-P580 HydrophobicContact CD2-CB 3.87Å; L541-I581 HydrophobicContact CB-CG1 3.92Å; L541-H584 HydrophobicContact CD1-CB 3.5Å; L541-H584 VanDerWaalsContact CD1-CB 3.5Å
542	L	95.8	Very high	93.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-79.1	-19.9	174.4	-67.4	173.4	0	0	0	113.2	L538 E539 Q540 L545 I546 I581 F591 A630 I648 A650	L538-L542 WeakPolarHBondContact O-CG 3.44Å; L538-L542 PolarHBondContact O-N 3.44Å; E539-L542 PolarHBondContact O-N 3.16Å; Q540-L542 VanDerWaalsContact C-N 3.28Å; Q540-L542 PolarHBondContact O-N 2.75Å; L542-L545 HydrophobicContact CD2-CD2 4.36Å; L542-L545 WeakPolarHBondContact O-CB 3.41Å; L542-L545 PolarHBondContact O-N 3.06Å; L542-I546 PolarHBondContact O-N 2.9Å; L542-I581 HydrophobicContact CD2-CD1 4.26Å; L542-F591 HydrophobicContact CD2-CZ 4.32Å; L542-A630 HydrophobicContact CD1-CB 4.09Å; L542-I648 HydrophobicContact CD1-CB 4.4Å; L542-I648 HydrophobicContact CD1-CG2 4.15Å; L542-I648 HydrophobicContact CD2-CG2 4.2Å; L542-A650 HydrophobicContact CD1-CB 4.04Å
543	L	95.4	Very high	93.4	Very high	65 Å²	65	48 Å²	48	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-41.4	-177.6	-60.9	178.8	0	0	0	113.8	Q540 L545 I546 A547	Q540-L543 PolarHBondContact O-N 2.85Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.87Å; L543-I546 HydrophobicContact CD2-CD1 4.39Å; L543-I546 PolarHBondContact O-N 3.28Å; L543-A547 PolarHBondContact O-N 2.9Å
544	P	95.2	Very high	93.1	Very high	62 Å²	62	43.6 Å²	43.6	40%	0.403	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-38.4	170.9	-25.9	35.4	0	0	0	113	Q540 L541 I546 A547 K548 I577	Q540-P544 WeakPolarHBondContact O-CD 3.38Å; L541-P544 WeakPolarHBondContact O-CD 3.37Å; P544-I546 PolarHBondContact O-N 3.44Å; P544-A547 WeakPolarHBondContact O-CB 3.49Å; P544-A547 PolarHBondContact O-N 3.19Å; P544-A547 VanDerWaalsContact O-N 3.16Å; P544-K548 PolarHBondContact O-N 3.24Å; P544-I577 HydrophobicContact CB-CG1 4.27Å; P544-I577 HydrophobicContact CB-CG2 4.43Å
545	L	94.3	Very high	92.5	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-41.5	176.5	-178.5	62	0	0	0	111.8	L542 L543 A547 K548 Y549 I577 I648	L542-L545 HydrophobicContact CD2-CD2 4.36Å; L542-L545 WeakPolarHBondContact O-CB 3.41Å; L542-L545 PolarHBondContact O-N 3.06Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.87Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-K548 PolarHBondContact O-N 3.36Å; L545-Y549 HydrophobicContact CD1-CE1 4.26Å; L545-Y549 HydrophobicContact CD1-CE2 4.09Å; L545-Y549 HydrophobicContact CD2-CE2 4.16Å; L545-Y549 HydrophobicContact CG-CD2 4.33Å; L545-Y549 HydrophobicContact CG-CE2 3.7Å; L545-Y549 WeakPolarHBondContact O-CD2 3.28Å; L545-Y549 PolarHBondContact O-N 2.9Å; L545-I577 HydrophobicContact CB-CG2 3.8Å; L545-I577 HydrophobicContact CD1-CG2 4.06Å; L545-I648 HydrophobicContact CD2-CD1 3.96Å; L545-I648 HydrophobicContact CG-CD1 4.16Å
546	I	94.9	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-42.5	172.3	-67.3	172.8	0	0	0	111.3	L542 L543 P544 K548 Y549 E550 R634 W646 I648	L542-I546 PolarHBondContact O-N 2.9Å; L543-I546 HydrophobicContact CD2-CD1 4.39Å; L543-I546 PolarHBondContact O-N 3.28Å; P544-I546 PolarHBondContact O-N 3.44Å; I546-K548 VanDerWaalsContact C-N 3.26Å; I546-K548 PolarHBondContact O-N 2.87Å; I546-Y549 PolarHBondContact O-N 3.47Å; I546-E550 PolarHBondContact O-N 3.46Å; I546-R634 HydrophobicContact CD1-CB 4.47Å; I546-R634 HydrophobicContact CG2-CB 3.73Å; I546-W646 HydrophobicContact CB-CB 4.49Å; I546-W646 HydrophobicContact CD1-CB 4.49Å; I546-W646 HydrophobicContact CG1-CB 4.41Å; I546-W646 HydrophobicContact CG2-CB 3.35Å; I546-W646 HydrophobicContact CG2-CG 3.74Å; I546-I648 HydrophobicContact CD1-CD1 4.18Å; I546-I648 HydrophobicContact CD1-CG1 4.09Å; I546-I648 HydrophobicContact CG1-CD1 3.46Å; I546-I648 VanDerWaalsContact CG1-CD1 3.46Å; I546-I648 HydrophobicContact CG1-CG1 3.78Å
547	A	93.5	Very high	90.9	Very high	36 Å²	36	44.1 Å²	44.1	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-40.4	178.2	0	0	0	0	0	111.4	L543 P544 L545 E550 A551	L543-A547 PolarHBondContact O-N 2.9Å; P544-A547 WeakPolarHBondContact O-CB 3.49Å; P544-A547 PolarHBondContact O-N 3.19Å; P544-A547 VanDerWaalsContact O-N 3.16Å; L545-A547 VanDerWaalsContact C-N 3.34Å; A547-E550 PolarHBondContact O-N 3.36Å; A547-A551 PolarHBondContact O-N 2.98Å
548	K	92.3	Very high	89.9	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.065	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-50.5	173.1	174.3	162.9	-177.4	54.9	0	112.1	P544 L545 I546 E550 A551 D552 E573 N574 I577	P544-K548 PolarHBondContact O-N 3.24Å; L545-K548 PolarHBondContact O-N 3.36Å; I546-K548 VanDerWaalsContact C-N 3.26Å; I546-K548 PolarHBondContact O-N 2.87Å; K548-E550 PolarHBondContact O-N 3.4Å; K548-A551 WeakPolarHBondContact O-CA 3.4Å; K548-A551 WeakPolarHBondContact O-CB 3.48Å; K548-A551 PolarHBondContact O-N 3.2Å; K548-D552 IonicContact NZ-OD1 3.51Å; K548-D552 PolarHBondContact NZ-OD1 2.85Å; K548-D552 IonicContact NZ-OD2 3.79Å; K548-D552 PolarHBondContact NZ-OD2 2.76Å; K548-D552 VanDerWaalsContact O-CG 3.25Å; K548-D552 PolarHBondContact O-N 3.07Å; K548-E573 HydrophobicContact CD-CG 4.44Å; K548-E573 IonicContact NZ-OE2 3.13Å; K548-E573 PolarHBondContact NZ-OE2 3.29Å; K548-N574 WeakPolarHBondContact CE-OD1 3.19Å; K548-I577 HydrophobicContact CB-CD1 3.73Å; K548-I577 HydrophobicContact CD-CD1 3.75Å; K548-I577 HydrophobicContact CG-CD1 4.32Å
549	Y	92.4	Very high	88.3	Confident	67 Å²	67	45.2 Å²	45.2	26%	0.263	24%	0.241	S	C	.	.	H	α-helix	trans	-55.7	-38.4	178.5	-69.8	-38.6	0	0	0	112.7	L545 I546 Q553 P595 W646 I648	L545-Y549 HydrophobicContact CD1-CE1 4.26Å; L545-Y549 HydrophobicContact CD1-CE2 4.09Å; L545-Y549 HydrophobicContact CD2-CE2 4.16Å; L545-Y549 HydrophobicContact CG-CD2 4.33Å; L545-Y549 HydrophobicContact CG-CE2 3.7Å; L545-Y549 WeakPolarHBondContact O-CD2 3.28Å; L545-Y549 PolarHBondContact O-N 2.9Å; I546-Y549 PolarHBondContact O-N 3.47Å; Y549-Q553 WeakPolarHBondContact O-CG 3.05Å; Y549-Q553 PolarHBondContact O-N 2.75Å; Y549-P595 HydrophobicContact CD2-CB 4.28Å; Y549-P595 HydrophobicContact CE2-CB 3.68Å; Y549-P595 HydrophobicContact CE2-CG 4.14Å; Y549-W646 HydrophobicContact CD2-CZ3 4.44Å; Y549-W646 HydrophobicContact CG-CZ3 4.43Å; Y549-I648 HydrophobicContact CD2-CD1 4.3Å; Y549-I648 HydrophobicContact CE2-CD1 3.88Å
550	E	93.3	Very high	86.6	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-39.9	174.2	179.3	60.7	-151.1	0	0	113.1	R321 I546 A547 K548 D552 Q553 K554 I636 Y638 W646	R321-E550 IonicContact CZ-OE1 2.62Å; R321-E550 IonicContact CZ-OE2 3.37Å; R321-E550 IonicContact NE-OE1 3.91Å; R321-E550 PolarHBondContact NE-OE1 3.38Å; R321-E550 IonicContact NE-OE2 3.39Å; R321-E550 IonicContact NH2-OE1 3.57Å; R321-E550 IonicContact NH2-OE2 3.22Å; R321-E550 PolarHBondContact NH2-OE2 3.46Å; I546-E550 PolarHBondContact O-N 3.46Å; A547-E550 PolarHBondContact O-N 3.36Å; K548-E550 PolarHBondContact O-N 3.4Å; E550-D552 VanDerWaalsContact C-N 3.33Å; E550-Q553 PolarHBondContact O-N 2.62Å; E550-K554 WeakPolarHBondContact OE1-CE 3.46Å; E550-K554 IonicContact OE1-NZ 2.68Å; E550-I636 HydrophobicContact CB-CD1 4.1Å; E550-I636 HydrophobicContact CG-CD1 3.51Å; E550-Y638 PolarHBondContact OE1-OH 3.17Å; E550-W646 PolarHBondContact OE2-NE1 2.96Å
551	A	89.7	Confident	84.7	Confident	43 Å²	43	47.2 Å²	47.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-42.2	176.2	0	0	0	0	0	111.2	A547 K548 Q553 K554	A547-A551 PolarHBondContact O-N 2.98Å; K548-A551 WeakPolarHBondContact O-CA 3.4Å; K548-A551 WeakPolarHBondContact O-CB 3.48Å; K548-A551 PolarHBondContact O-N 3.2Å; A551-Q553 PolarHBondContact O-N 3.45Å; A551-K554 WeakPolarHBondContact O-CB 3.25Å; A551-K554 PolarHBondContact O-N 3.29Å
552	D	87.9	Confident	82.9	Confident	58 Å²	58	51.6 Å²	51.6	31%	0.31	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-22.8	177.9	-62.9	-16.6	0	0	0	112.4	K548 E550 K554 T555	K548-D552 IonicContact NZ-OD1 3.51Å; K548-D552 PolarHBondContact NZ-OD1 2.85Å; K548-D552 IonicContact NZ-OD2 3.79Å; K548-D552 PolarHBondContact NZ-OD2 2.76Å; K548-D552 VanDerWaalsContact O-CG 3.25Å; K548-D552 PolarHBondContact O-N 3.07Å; E550-D552 VanDerWaalsContact C-N 3.33Å; D552-K554 PolarHBondContact O-N 2.97Å; D552-T555 PolarHBondContact O-OG1 3.44Å
553	Q	87.7	Confident	81.3	Confident	48 Å²	48	54.5 Å²	54.5	22%	0.224	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.7	173.4	-62.3	-54.8	-54.9	0	0	113.5	Y549 E550 A551 W646	Y549-Q553 WeakPolarHBondContact O-CG 3.05Å; Y549-Q553 PolarHBondContact O-N 2.75Å; E550-Q553 PolarHBondContact O-N 2.62Å; A551-Q553 PolarHBondContact O-N 3.45Å; Q553-W646 HydrophobicContact CG-CZ2 4.06Å
554	K	84.5	Confident	80.1	Confident	71 Å²	71	59.4 Å²	59.4	31%	0.309	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.7	-178.1	-60	169.9	-172.3	170.1	0	112.2	Y317 R321 E550 A551 D552	Y317-K554 WeakPolarHBondContact CD1-O 3.29Å; R321-K554 HydrophobicContact CB-CG 4.33Å; R321-K554 HydrophobicContact CG-CG 4.29Å; E550-K554 WeakPolarHBondContact OE1-CE 3.46Å; E550-K554 IonicContact OE1-NZ 2.68Å; A551-K554 WeakPolarHBondContact O-CB 3.25Å; A551-K554 PolarHBondContact O-N 3.29Å; D552-K554 PolarHBondContact O-N 2.97Å
555	T	81.5	Confident	78.9	Confident	83 Å²	83	62.9 Å²	62.9	51%	0.509	32%	0.323	S	S	.	.	S	Bend	trans	-86.2	166.8	-180	62.8	0	0	0	0	111.6	D552	D552-T555 PolarHBondContact O-OG1 3.44Å
556	L	76.2	Confident	77.7	Confident	37 Å²	37	64.5 Å²	64.5	19%	0.194	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-72	130.6	178.8	-170.4	80.8	0	0	0	110.8	C420 I422 Y559	C420-L556 HydrophobicContact CB-CD1 3.95Å; C420-L556 VanDerWaalsContact O-CD1 3.29Å; C420-L556 WeakPolarHBondContact O-CD1 3.26Å; C420-L556 VanDerWaalsContact SG-CD1 3.52Å; I422-L556 HydrophobicContact CB-CD2 4.35Å; I422-L556 HydrophobicContact CD1-CD1 4.44Å; I422-L556 HydrophobicContact CD1-CD2 3.31Å; I422-L556 HydrophobicContact CG1-CD1 3.93Å; I422-L556 HydrophobicContact CG1-CD2 3.58Å; I422-L556 HydrophobicContact CG1-CG 4.38Å; L556-Y559 HydrophobicContact CD2-CD2 3.87Å; L556-Y559 HydrophobicContact CD2-CG 4.42Å
557	S	78.7	Confident	76.6	Confident	51 Å²	51	68.3 Å²	68.3	36%	0.357	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.2	-170.7	-174.3	0	0	0	0	115	C420 Y421	C420-S557 PolarHBondContact O-N 2.9Å; Y421-S557 WeakPolarHBondContact CE1-OG 3.21Å
558	N	75.1	Confident	75.9	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.123	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	27.2	-177.9	66.9	-10.5	0	0	0	113	Y421 I422 P434	Y421-N558 WeakPolarHBondContact CA-OD1 3.43Å; Y421-N558 HydrophobicContact CD1-CB 4.14Å; I422-N558 PolarHBondContact N-ND2 2.81Å; I422-N558 PolarHBondContact N-OD1 2.63Å; I422-N558 PolarHBondContact O-ND2 3.24Å; P434-N558 PolarHBondContact O-ND2 3.49Å
559	Y	61.6	Low	75.3	Confident	108 Å²	108	76.5 Å²	76.5	42%	0.424	39%	0.39	S	S	.	.			trans	-62.2	137.4	171.2	-160.3	-101.5	0	0	0	109.9	L556 H561 D563 V566	L556-Y559 HydrophobicContact CD2-CD2 3.87Å; L556-Y559 HydrophobicContact CD2-CG 4.42Å; Y559-H561 PolarHBondContact O-N 3Å; Y559-H561 VanDerWaalsContact O-N 3.08Å; Y559-D563 HydrophobicContact CE1-CB 4.09Å; Y559-D563 PolarHBondContact OH-OD2 3.16Å; Y559-V566 HydrophobicContact CE1-CG2 4.08Å
560	D	58.2	Low	74.8	Confident	64 Å²	64	76.3 Å²	76.3	34%	0.342	39%	0.392	S	S	.	.			trans	-72	102.4	176.2	-160.2	-17.6	0	0	0	107.6	K431 N562 D563	K431-D560 IonicContact NZ-OD2 2.73Å; K431-D560 PolarHBondContact NZ-OD2 3.38Å; D560-N562 PolarHBondContact O-N 2.8Å; D560-N562 WeakPolarHBondContact OD1-CB 3.36Å; D560-N562 VanDerWaalsContact OD1-CG 3.28Å; D560-N562 PolarHBondContact OD1-N 2.88Å; D560-N562 PolarHBondContact OD1-ND2 3.06Å; D560-D563 PolarHBondContact O-N 3.06Å
561	H	55.8	Low	74.3	Confident	110 Å²	110	79.9 Å²	79.9	51%	0.509	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-6.4	178.3	-81.5	-77.2	0	0	0	112.8	Y559 D563 Q567 E570	Y559-H561 PolarHBondContact O-N 3Å; Y559-H561 VanDerWaalsContact O-N 3.08Å; H561-D563 PolarHBondContact O-N 3.22Å; H561-D563 VanDerWaalsContact O-N 3.11Å; H561-Q567 VanDerWaalsContact O-CD 3.31Å; H561-Q567 WeakPolarHBondContact O-CG 3.38Å; H561-Q567 PolarHBondContact O-NE2 2.98Å; H561-E570 IonicContact CE1-OE1 3.4Å; H561-E570 IonicContact CE1-OE2 3.51Å; H561-E570 IonicContact ND1-OE1 3.58Å; H561-E570 IonicContact ND1-OE2 3.39Å; H561-E570 PolarHBondContact ND1-OE2 2.72Å
562	N	56.1	Low	74.2	Confident	123 Å²	123	82.4 Å²	82.4	66%	0.658	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.9	177.9	-71	-39.5	0	0	0	115.2	D560 K564	D560-N562 PolarHBondContact O-N 2.8Å; D560-N562 WeakPolarHBondContact OD1-CB 3.36Å; D560-N562 VanDerWaalsContact OD1-CG 3.28Å; D560-N562 PolarHBondContact OD1-N 2.88Å; D560-N562 PolarHBondContact OD1-ND2 3.06Å; N562-K564 PolarHBondContact O-N 3.18Å
563	D	63.6	Low	74.1	Confident	62 Å²	62	82.5 Å²	82.5	33%	0.332	42%	0.419	S	S	.	.			trans	-71.6	106.9	172.6	-166.9	-11.7	0	0	0	111.3	Y559 D560 H561 I565 V566 Q567	Y559-D563 HydrophobicContact CE1-CB 4.09Å; Y559-D563 PolarHBondContact OH-OD2 3.16Å; D560-D563 PolarHBondContact O-N 3.06Å; H561-D563 PolarHBondContact O-N 3.22Å; H561-D563 VanDerWaalsContact O-N 3.11Å; D563-I565 PolarHBondContact O-N 3.26Å; D563-I565 VanDerWaalsContact O-N 3.1Å; D563-I565 PolarHBondContact OD1-N 3Å; D563-V566 HydrophobicContact CB-CB 4.44Å; D563-V566 HydrophobicContact CB-CG2 4.19Å; D563-V566 PolarHBondContact O-N 3.22Å; D563-V566 VanDerWaalsContact O-N 3.16Å; D563-Q567 PolarHBondContact O-N 2.86Å
564	K	69.4	Low	74.2	Confident	167 Å²	167	83.3 Å²	83.3	73%	0.726	43%	0.425	S	S	*	.	H	α-helix	trans	-54.2	-32.8	-175.4	-69.2	-176.9	179	179.4	0	113.2	N562 V568	N562-K564 PolarHBondContact O-N 3.18Å; K564-V568 VanDerWaalsContact O-CG2 3.27Å; K564-V568 WeakPolarHBondContact O-CG2 3.46Å; K564-V568 PolarHBondContact O-N 2.96Å
565	I	69.9	Low	74.5	Confident	135 Å²	135	84.5 Å²	84.5	69%	0.692	44%	0.435	S	S	*	.	H	α-helix	trans	-72.2	-42.8	-176.6	-62.6	176.4	0	0	0	110.6	D563 V568 H569	D563-I565 PolarHBondContact O-N 3.26Å; D563-I565 VanDerWaalsContact O-N 3.1Å; D563-I565 PolarHBondContact OD1-N 3Å; I565-V568 PolarHBondContact O-N 2.9Å; I565-H569 PolarHBondContact O-N 3.3Å; I565-H569 VanDerWaalsContact O-N 3.15Å
566	V	68.5	Low	75	Confident	46 Å²	46	86.3 Å²	86.3	28%	0.279	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-43.2	178.2	179.6	0	0	0	0	110.3	Y559 D563 V568 H569 E570	Y559-V566 HydrophobicContact CE1-CG2 4.08Å; D563-V566 HydrophobicContact CB-CB 4.44Å; D563-V566 HydrophobicContact CB-CG2 4.19Å; D563-V566 PolarHBondContact O-N 3.22Å; D563-V566 VanDerWaalsContact O-N 3.16Å; V566-V568 VanDerWaalsContact C-N 3.3Å; V566-V568 PolarHBondContact O-N 3.27Å; V566-H569 PolarHBondContact O-N 3.39Å; V566-H569 VanDerWaalsContact O-N 3.16Å; V566-E570 HydrophobicContact CG1-CG 4.34Å; V566-E570 WeakPolarHBondContact O-CG 3.29Å; V566-E570 PolarHBondContact O-N 3.15Å
567	Q	72.1	Confident	75.7	Confident	79 Å²	79	85.5 Å²	85.5	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-56.1	-44.4	175.3	-68	-177	3.9	0	0	112	H561 D563 H569 E570 V571	H561-Q567 VanDerWaalsContact O-CD 3.31Å; H561-Q567 WeakPolarHBondContact O-CG 3.38Å; H561-Q567 PolarHBondContact O-NE2 2.98Å; D563-Q567 PolarHBondContact O-N 2.86Å; Q567-H569 VanDerWaalsContact C-N 3.35Å; Q567-H569 PolarHBondContact O-N 2.89Å; Q567-E570 PolarHBondContact O-N 3.39Å; Q567-V571 WeakPolarHBondContact O-CB 3.32Å; Q567-V571 WeakPolarHBondContact O-CG2 3.49Å; Q567-V571 PolarHBondContact O-N 2.77Å
568	V	78.6	Confident	76.4	Confident	99 Å²	99	87.1 Å²	87.1	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-63.8	-41.5	179.3	171.2	0	0	0	0	111.3	K564 I565 V566 L572	K564-V568 VanDerWaalsContact O-CG2 3.27Å; K564-V568 WeakPolarHBondContact O-CG2 3.46Å; K564-V568 PolarHBondContact O-N 2.96Å; I565-V568 PolarHBondContact O-N 2.9Å; V566-V568 VanDerWaalsContact C-N 3.3Å; V566-V568 PolarHBondContact O-N 3.27Å; V568-L572 WeakPolarHBondContact O-CB 3.31Å; V568-L572 PolarHBondContact O-N 2.91Å
569	H	79.6	Confident	77.2	Confident	125 Å²	125	89 Å²	89	58%	0.579	46%	0.455	S	S	*	.	H	α-helix	trans	-65.5	-45.6	177.8	-172.1	71.4	0	0	0	112	I565 V566 Q567 V571 L572 E573	I565-H569 PolarHBondContact O-N 3.3Å; I565-H569 VanDerWaalsContact O-N 3.15Å; V566-H569 PolarHBondContact O-N 3.39Å; V566-H569 VanDerWaalsContact O-N 3.16Å; Q567-H569 VanDerWaalsContact C-N 3.35Å; Q567-H569 PolarHBondContact O-N 2.89Å; H569-V571 PolarHBondContact O-N 3Å; H569-L572 PolarHBondContact O-N 2.86Å; H569-E573 WeakPolarHBondContact O-CB 3.44Å; H569-E573 PolarHBondContact O-N 2.8Å
570	E	81.9	Confident	78.7	Confident	63 Å²	63	86.4 Å²	86.4	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.9	-73.2	178.8	168.5	0	0	111.9	H561 V566 Q567 N574	H561-E570 IonicContact CE1-OE1 3.4Å; H561-E570 IonicContact CE1-OE2 3.51Å; H561-E570 IonicContact ND1-OE1 3.58Å; H561-E570 IonicContact ND1-OE2 3.39Å; H561-E570 PolarHBondContact ND1-OE2 2.72Å; V566-E570 HydrophobicContact CG1-CG 4.34Å; V566-E570 WeakPolarHBondContact O-CG 3.29Å; V566-E570 PolarHBondContact O-N 3.15Å; Q567-E570 PolarHBondContact O-N 3.39Å; E570-N574 VanDerWaalsContact O-CB 3.29Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 2.99Å; E570-N574 PolarHBondContact O-ND2 3.12Å
571	V	83.9	Confident	80.4	Confident	82 Å²	82	83.5 Å²	83.5	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-47.3	176.5	171	0	0	0	0	110.7	Q567 H569 E573 N574 D575	Q567-V571 WeakPolarHBondContact O-CB 3.32Å; Q567-V571 WeakPolarHBondContact O-CG2 3.49Å; Q567-V571 PolarHBondContact O-N 2.77Å; H569-V571 PolarHBondContact O-N 3Å; V571-E573 PolarHBondContact O-N 3.36Å; V571-N574 PolarHBondContact O-N 3.35Å; V571-D575 WeakPolarHBondContact O-CB 3.47Å; V571-D575 PolarHBondContact O-N 2.78Å
572	L	87.5	Confident	82.1	Confident	96 Å²	96	85.2 Å²	85.2	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-62	-44.7	179.2	-178.4	67.7	0	0	0	112	V568 H569 D575 L576	V568-L572 WeakPolarHBondContact O-CB 3.31Å; V568-L572 PolarHBondContact O-N 2.91Å; H569-L572 PolarHBondContact O-N 2.86Å; L572-D575 PolarHBondContact O-N 3.26Å; L572-L576 HydrophobicContact CD1-CD1 4.5Å; L572-L576 HydrophobicContact CG-CD1 4.14Å; L572-L576 WeakPolarHBondContact O-CB 3.29Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 3.02Å
573	E	86.5	Confident	83.9	Confident	61 Å²	61	84.1 Å²	84.1	29%	0.285	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-44.6	177.3	-170.5	-172.6	-152.8	0	0	111.1	K548 H569 V571 D575 L576 I577	K548-E573 HydrophobicContact CD-CG 4.44Å; K548-E573 IonicContact NZ-OE2 3.13Å; K548-E573 PolarHBondContact NZ-OE2 3.29Å; H569-E573 WeakPolarHBondContact O-CB 3.44Å; H569-E573 PolarHBondContact O-N 2.8Å; V571-E573 PolarHBondContact O-N 3.36Å; E573-D575 VanDerWaalsContact C-N 3.34Å; E573-D575 PolarHBondContact O-N 3.44Å; E573-L576 PolarHBondContact O-N 3.35Å; E573-I577 HydrophobicContact CG-CD1 3.99Å; E573-I577 WeakPolarHBondContact O-CG1 3.29Å; E573-I577 PolarHBondContact O-N 3.36Å; E573-I577 VanDerWaalsContact O-N 3.07Å
574	N	88.6	Confident	85.3	Confident	65 Å²	65	84.1 Å²	84.1	35%	0.348	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-43.5	175.7	-77.3	-36.6	0	0	0	111.9	K548 E570 V571 I577 M578	K548-N574 WeakPolarHBondContact CE-OD1 3.19Å; E570-N574 VanDerWaalsContact O-CB 3.29Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 2.99Å; E570-N574 PolarHBondContact O-ND2 3.12Å; V571-N574 PolarHBondContact O-N 3.35Å; N574-I577 PolarHBondContact O-N 3.36Å; N574-M578 VanDerWaalsContact O-CB 3.23Å; N574-M578 WeakPolarHBondContact O-CB 3.38Å; N574-M578 WeakPolarHBondContact O-CG 3.43Å; N574-M578 PolarHBondContact O-N 3.11Å
575	D	90.5	Very high	86.4	Confident	96 Å²	96	77.2 Å²	77.2	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-43.5	177.6	-74.9	-17.5	0	0	0	111.5	V571 L572 E573 I577 M578 S579	V571-D575 WeakPolarHBondContact O-CB 3.47Å; V571-D575 PolarHBondContact O-N 2.78Å; L572-D575 PolarHBondContact O-N 3.26Å; E573-D575 VanDerWaalsContact C-N 3.34Å; E573-D575 PolarHBondContact O-N 3.44Å; D575-I577 PolarHBondContact O-N 2.93Å; D575-M578 PolarHBondContact O-N 3.31Å; D575-S579 WeakPolarHBondContact O-CA 3.27Å; D575-S579 WeakPolarHBondContact O-CB 3.29Å; D575-S579 PolarHBondContact O-N 3.19Å
576	L	92	Very high	87.3	Confident	121 Å²	121	73.4 Å²	73.4	63%	0.634	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-29.4	178	-72.4	171.9	0	0	0	113	L572 E573 P580	L572-L576 HydrophobicContact CD1-CD1 4.5Å; L572-L576 HydrophobicContact CG-CD1 4.14Å; L572-L576 WeakPolarHBondContact O-CB 3.29Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 3.02Å; E573-L576 PolarHBondContact O-N 3.35Å; L576-P580 WeakPolarHBondContact O-CD 3.48Å; L576-P580 VanDerWaalsContact O-CG 3.3Å; L576-P580 WeakPolarHBondContact O-CG 3.42Å
577	I	92.1	Very high	88.1	Confident	19 Å²	19	80.5 Å²	80.5	10%	0.097	42%	0.424	C	S	.	.	H	α-helix	trans	-87.2	-44	178.2	-66.1	170.3	0	0	0	111.5	P544 L545 K548 E573 N574 D575	P544-I577 HydrophobicContact CB-CG1 4.27Å; P544-I577 HydrophobicContact CB-CG2 4.43Å; L545-I577 HydrophobicContact CB-CG2 3.8Å; L545-I577 HydrophobicContact CD1-CG2 4.06Å; K548-I577 HydrophobicContact CB-CD1 3.73Å; K548-I577 HydrophobicContact CD-CD1 3.75Å; K548-I577 HydrophobicContact CG-CD1 4.32Å; E573-I577 HydrophobicContact CG-CD1 3.99Å; E573-I577 WeakPolarHBondContact O-CG1 3.29Å; E573-I577 PolarHBondContact O-N 3.36Å; E573-I577 VanDerWaalsContact O-N 3.07Å; N574-I577 PolarHBondContact O-N 3.36Å; D575-I577 PolarHBondContact O-N 2.93Å
578	M	92.1	Very high	88.8	Confident	86 Å²	86	83.2 Å²	83.2	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-81.6	-32.4	-174.2	-69.7	-61	-66.1	0	0	113.1	N574 D575 I581 H582	N574-M578 VanDerWaalsContact O-CB 3.23Å; N574-M578 WeakPolarHBondContact O-CB 3.38Å; N574-M578 WeakPolarHBondContact O-CG 3.43Å; N574-M578 PolarHBondContact O-N 3.11Å; D575-M578 PolarHBondContact O-N 3.31Å; M578-I581 PolarHBondContact O-N 3.38Å; M578-I581 HydrophobicContact SD-CD1 4.27Å; M578-H582 PolarHBondContact O-N 3.15Å
579	S	92.8	Very high	89.4	Confident	63 Å²	63	80.7 Å²	80.7	44%	0.441	42%	0.422	S	S	.	.	H	α-helix	trans	-59.3	-47.5	179.7	177.5	0	0	0	0	112.4	D575 I581 H582 C583	D575-S579 WeakPolarHBondContact O-CA 3.27Å; D575-S579 WeakPolarHBondContact O-CB 3.29Å; D575-S579 PolarHBondContact O-N 3.19Å; S579-I581 VanDerWaalsContact C-N 3.32Å; S579-I581 PolarHBondContact O-N 3.29Å; S579-H582 PolarHBondContact O-N 3.42Å; S579-C583 WeakPolarHBondContact O-CB 3.42Å; S579-C583 PolarHBondContact O-N 3.23Å; S579-C583 PolarHBondContact O-SG 2.77Å; S579-C583 VanDerWaalsContact O-SG 3.33Å
580	P	93.9	Very high	89.9	Confident	53 Å²	53	77.2 Å²	77.2	34%	0.344	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-38.6	174.8	-27.2	36.4	0	0	0	114	L541 L576 H584	L541-P580 HydrophobicContact CD2-CB 3.87Å; L576-P580 WeakPolarHBondContact O-CD 3.48Å; L576-P580 VanDerWaalsContact O-CG 3.3Å; L576-P580 WeakPolarHBondContact O-CG 3.42Å; P580-H584 VanDerWaalsContact O-CB 3.28Å; P580-H584 WeakPolarHBondContact O-CB 3.43Å; P580-H584 PolarHBondContact O-N 3.33Å
581	I	93.3	Very high	90.4	Very high	2 Å²	2	76.8 Å²	76.8	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-48.9	175.7	-66.7	166.5	0	0	0	109.2	L538 L541 L542 M578 S579 C583 H584 I585 F591	L538-I581 HydrophobicContact CD1-CG2 4.13Å; L541-I581 HydrophobicContact CB-CG1 3.92Å; L542-I581 HydrophobicContact CD2-CD1 4.26Å; M578-I581 PolarHBondContact O-N 3.38Å; M578-I581 HydrophobicContact SD-CD1 4.27Å; S579-I581 VanDerWaalsContact C-N 3.32Å; S579-I581 PolarHBondContact O-N 3.29Å; I581-C583 PolarHBondContact O-N 2.92Å; I581-H584 PolarHBondContact O-N 3.42Å; I581-I585 HydrophobicContact CG2-CD1 3.81Å; I581-I585 VanDerWaalsContact O-CD1 3.3Å; I581-I585 WeakPolarHBondContact O-CD1 3.29Å; I581-I585 WeakPolarHBondContact O-CG1 3.36Å; I581-I585 PolarHBondContact O-N 3.11Å; I581-F591 HydrophobicContact CG2-CD1 4.47Å; I581-F591 HydrophobicContact CG2-CE1 4Å; I581-F591 HydrophobicContact CG2-CE2 4.39Å; I581-F591 HydrophobicContact CG2-CZ 3.94Å
582	H	92.1	Very high	90.9	Very high	146 Å²	146	77.2 Å²	77.2	68%	0.676	40%	0.402	S	S	*	.	H	α-helix	trans	-62.2	-42.9	179.3	-173.4	62.5	0	0	0	112.8	M578 S579 H584 I585	M578-H582 PolarHBondContact O-N 3.15Å; S579-H582 PolarHBondContact O-N 3.42Å; H582-H584 VanDerWaalsContact C-N 3.31Å; H582-H584 PolarHBondContact O-N 3.09Å; H582-I585 PolarHBondContact O-N 3.44Å
583	C	92.8	Very high	91.2	Very high	100 Å²	100	74.3 Å²	74.3	68%	0.676	39%	0.39	S	S	*	.	H	α-helix	trans	-67.6	-29.8	177.5	-70.2	0	0	0	0	113.3	S579 I581	S579-C583 WeakPolarHBondContact O-CB 3.42Å; S579-C583 PolarHBondContact O-N 3.23Å; S579-C583 PolarHBondContact O-SG 2.77Å; S579-C583 VanDerWaalsContact O-SG 3.33Å; I581-C583 PolarHBondContact O-N 2.92Å
584	H	93.7	Very high	91.6	Very high	62 Å²	62	74 Å²	74	29%	0.287	39%	0.386	S	S	.	.	H	α-helix	trans	-74.2	-31.1	177.6	-177.8	75.1	0	0	0	112.3	D535 K537 L541 P580 I581 H582	D535-H584 IonicContact OD1-NE2 3.48Å; D535-H584 PolarHBondContact OD1-NE2 2.94Å; D535-H584 IonicContact OD2-CD2 3.62Å; D535-H584 IonicContact OD2-CE1 3.77Å; D535-H584 IonicContact OD2-NE2 2.74Å; D535-H584 PolarHBondContact OD2-NE2 3.16Å; K537-H584 VanDerWaalsContact CG-CE1 3.41Å; K537-H584 WeakPolarHBondContact CG-CE1 3.45Å; L541-H584 HydrophobicContact CD1-CB 3.5Å; L541-H584 VanDerWaalsContact CD1-CB 3.5Å; P580-H584 VanDerWaalsContact O-CB 3.28Å; P580-H584 WeakPolarHBondContact O-CB 3.43Å; P580-H584 PolarHBondContact O-N 3.33Å; I581-H584 PolarHBondContact O-N 3.42Å; H582-H584 VanDerWaalsContact C-N 3.31Å; H582-H584 PolarHBondContact O-N 3.09Å
585	I	92.1	Very high	91.9	Very high	22 Å²	22	73.1 Å²	73.1	11%	0.113	38%	0.384	C	S	.	.	S	Bend	trans	-75.1	127.9	179.9	-66.2	154	0	0	0	109.5	I581 H582 F589 F591	I581-I585 HydrophobicContact CG2-CD1 3.81Å; I581-I585 VanDerWaalsContact O-CD1 3.3Å; I581-I585 WeakPolarHBondContact O-CD1 3.29Å; I581-I585 WeakPolarHBondContact O-CG1 3.36Å; I581-I585 PolarHBondContact O-N 3.11Å; H582-I585 PolarHBondContact O-N 3.44Å; I585-F589 HydrophobicContact CG2-CB 3.81Å; I585-F591 HydrophobicContact CD1-CB 3.4Å; I585-F591 VanDerWaalsContact CD1-CB 3.4Å; I585-F591 HydrophobicContact CD1-CD1 4.04Å; I585-F591 HydrophobicContact CD1-CD2 3.63Å; I585-F591 HydrophobicContact CD1-CE2 4.35Å; I585-F591 HydrophobicContact CD1-CG 3.43Å; I585-F591 VanDerWaalsContact CD1-CG 3.43Å; I585-F591 HydrophobicContact CG1-CB 4.36Å; I585-F591 HydrophobicContact CG1-CD2 4.43Å
586	P	89.5	Confident	92.1	Very high	56 Å²	56	69.5 Å²	69.5	36%	0.364	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-61.2	152.9	179.8	-20	30.2	0	0	0	112.7	F589	P586-F589 HydrophobicContact CB-CD2 3.63Å; P586-F589 HydrophobicContact CB-CE2 3.87Å; P586-F589 HydrophobicContact CB-CG 4.1Å; P586-F589 HydrophobicContact CG-CD1 4.41Å; P586-F589 HydrophobicContact CG-CD2 4.13Å; P586-F589 HydrophobicContact CG-CE2 4.24Å; P586-F589 HydrophobicContact CG-CG 4.22Å; P586-F589 HydrophobicContact CG-CZ 4.44Å; P586-F589 WeakPolarHBondContact O-CB 3.29Å; P586-F589 PolarHBondContact O-N 3.18Å
587	K	85.8	Confident	92.1	Very high	194 Å²	194	66.2 Å²	66.2	84%	0.843	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	141.1	171.8	-64.3	-176.8	178.7	-178.1	0	109.9	F589	K587-F589 VanDerWaalsContact C-N 3.27Å; K587-F589 PolarHBondContact O-N 2.93Å
588	D	86.7	Confident	92.2	Very high	137 Å²	137	66.2 Å²	66.2	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	6.8	-176.3	-45	-39.9	0	0	0	116.3
589	F	90.7	Very high	92.1	Very high	46 Å²	46	65.5 Å²	65.5	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	146.3	172.7	-78.3	-123.7	0	0	0	110.9	I585 P586 K587 Y653 K654	I585-F589 HydrophobicContact CG2-CB 3.81Å; P586-F589 HydrophobicContact CB-CD2 3.63Å; P586-F589 HydrophobicContact CB-CE2 3.87Å; P586-F589 HydrophobicContact CB-CG 4.1Å; P586-F589 HydrophobicContact CG-CD1 4.41Å; P586-F589 HydrophobicContact CG-CD2 4.13Å; P586-F589 HydrophobicContact CG-CE2 4.24Å; P586-F589 HydrophobicContact CG-CG 4.22Å; P586-F589 HydrophobicContact CG-CZ 4.44Å; P586-F589 WeakPolarHBondContact O-CB 3.29Å; P586-F589 PolarHBondContact O-N 3.18Å; K587-F589 VanDerWaalsContact C-N 3.27Å; K587-F589 PolarHBondContact O-N 2.93Å; F589-Y653 WeakPolarHBondContact CA-O 3.27Å; F589-Y653 VanDerWaalsContact CD1-C 3.43Å; F589-K654 HydrophobicContact CD1-CB 4.44Å; F589-K654 HydrophobicContact CD2-CB 4.28Å; F589-K654 HydrophobicContact CE1-CB 4.14Å; F589-K654 HydrophobicContact CE2-CB 3.98Å; F589-K654 HydrophobicContact CE2-CD 4.3Å; F589-K654 HydrophobicContact CE2-CG 4.28Å; F589-K654 HydrophobicContact CZ-CB 3.91Å
590	T	89.7	Confident	91.9	Very high	51 Å²	51	63.7 Å²	63.7	31%	0.313	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134	171.2	-59.4	0	0	0	0	109.5	K592 S652 Y653	T590-K592 HydrophobicContact CG2-CG 4.34Å; T590-S652 WeakPolarHBondContact O-CA 3.17Å; T590-Y653 HydrophobicContact CG2-CE1 4.03Å; T590-Y653 PolarHBondContact N-O 2.84Å; T590-Y653 PolarHBondContact O-N 3.19Å; T590-Y653 VanDerWaalsContact O-N 3.12Å
591	F	92.4	Very high	91.6	Very high	54 Å²	54	62.9 Å²	62.9	24%	0.237	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	172.9	173.3	-109.7	0	0	0	111.1	L538 L542 I581 I585 A650 C651	L538-F591 HydrophobicContact CD1-CE2 4.23Å; L538-F591 HydrophobicContact CD2-CD2 4.49Å; L538-F591 HydrophobicContact CD2-CE2 4.11Å; L542-F591 HydrophobicContact CD2-CZ 4.32Å; I581-F591 HydrophobicContact CG2-CD1 4.47Å; I581-F591 HydrophobicContact CG2-CE1 4Å; I581-F591 HydrophobicContact CG2-CE2 4.39Å; I581-F591 HydrophobicContact CG2-CZ 3.94Å; I585-F591 HydrophobicContact CD1-CB 3.4Å; I585-F591 VanDerWaalsContact CD1-CB 3.4Å; I585-F591 HydrophobicContact CD1-CD1 4.04Å; I585-F591 HydrophobicContact CD1-CD2 3.63Å; I585-F591 HydrophobicContact CD1-CE2 4.35Å; I585-F591 HydrophobicContact CD1-CG 3.43Å; I585-F591 VanDerWaalsContact CD1-CG 3.43Å; I585-F591 HydrophobicContact CG1-CB 4.36Å; I585-F591 HydrophobicContact CG1-CD2 4.43Å; F591-A650 HydrophobicContact CE2-CB 3.71Å; F591-A650 HydrophobicContact CZ-CB 4.18Å; F591-C651 WeakPolarHBondContact CA-O 3.38Å
592	K	93.9	Very high	91.5	Very high	91 Å²	91	64.6 Å²	64.6	40%	0.396	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.9	173.1	-65.8	178.7	178.1	171.5	0	108.8	T590 I619 A650 C651 Y653	T590-K592 HydrophobicContact CG2-CG 4.34Å; K592-I619 HydrophobicContact CB-CD1 4.12Å; K592-I619 HydrophobicContact CB-CG1 3.87Å; K592-A650 CarbonylContact O-C 3.56Å; K592-A650 WeakPolarHBondContact O-CA 3.5Å; K592-C651 PolarHBondContact N-O 3.21Å; K592-C651 PolarHBondContact O-N 3.39Å; K592-Y653 HydrophobicContact CD-CE1 4.3Å; K592-Y653 WeakPolarHBondContact CE-OH 3.4Å; K592-Y653 PolarHBondContact NZ-OH 3.38Å
593	S	93.9	Very high	91.5	Very high	36 Å²	36	58.8 Å²	58.8	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.3	175	65	0	0	0	0	111.5	I619 F649	S593-I619 VanDerWaalsContact C-CD1 3.49Å; S593-F649 CarbonylContact C-O 3.53Å; S593-F649 VanDerWaalsContact CA-O 3.29Å; S593-F649 WeakPolarHBondContact CA-O 3.48Å
594	Y	95.5	Very high	91.4	Very high	53 Å²	53	58.6 Å²	58.6	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	102.1	177.3	-179.4	-113.4	0	0	0	109.6	V596 S613 L615 C616 I648 F649	Y594-V596 HydrophobicContact CE1-CB 4.13Å; Y594-S613 WeakPolarHBondContact CE2-OG 3.45Å; Y594-S613 VanDerWaalsContact CZ-CB 3.49Å; Y594-S613 WeakPolarHBondContact OH-CB 3.33Å; Y594-L615 HydrophobicContact CD2-CD2 3.84Å; Y594-L615 HydrophobicContact CG-CD2 4.07Å; Y594-C616 HydrophobicContact CD1-CB 3.53Å; Y594-C616 HydrophobicContact CE1-CB 3.89Å; Y594-C616 HydrophobicContact CG-CB 4.02Å; Y594-I648 WeakPolarHBondContact O-CA 2.97Å; Y594-F649 PolarHBondContact N-O 3.31Å; Y594-F649 PolarHBondContact O-N 3.15Å; Y594-F649 VanDerWaalsContact O-N 3.15Å
595	P	95	Very high	91.2	Very high	47 Å²	47	60.2 Å²	60.2	31%	0.305	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.9	172.5	32.1	-32.9	0	0	0	111.1	Y549 V647 I648	Y549-P595 HydrophobicContact CD2-CB 4.28Å; Y549-P595 HydrophobicContact CE2-CB 3.68Å; Y549-P595 HydrophobicContact CE2-CG 4.14Å; P595-V647 CarbonylContact C-O 3.55Å; P595-V647 WeakPolarHBondContact CA-O 3.44Å; P595-I648 HydrophobicContact CB-CD1 4.46Å; P595-I648 HydrophobicContact CB-CG1 4.08Å
596	V	94.3	Very high	91.3	Very high	21 Å²	21	59.1 Å²	59.1	13%	0.127	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.1	171.8	67.4	0	0	0	0	110.2	Y594 L598 V647	Y594-V596 HydrophobicContact CE1-CB 4.13Å; V596-L598 HydrophobicContact CG1-CD1 4.35Å; V596-L598 HydrophobicContact CG2-CD2 4.19Å; V596-L598 HydrophobicContact CG2-CG 4.15Å; V596-V647 HydrophobicContact CG1-CB 3.72Å; V596-V647 HydrophobicContact CG1-CG1 4.47Å; V596-V647 PolarHBondContact N-O 3.48Å; V596-V647 PolarHBondContact O-N 2.92Å
597	Q	93	Very high	91.5	Very high	52 Å²	52	57.1 Å²	57.1	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.9	171.9	-170.9	-169.2	-3.4	0	0	109.2	I644 W646	Q597-I644 HydrophobicContact CG-CG2 3.82Å; Q597-W646 HydrophobicContact CB-CD2 4.3Å; Q597-W646 HydrophobicContact CB-CE3 3.95Å; Q597-W646 HydrophobicContact CB-CH2 3.81Å; Q597-W646 HydrophobicContact CB-CZ2 4.16Å; Q597-W646 HydrophobicContact CB-CZ3 3.71Å; Q597-W646 HydrophobicContact CG-CD2 4.26Å; Q597-W646 HydrophobicContact CG-CE3 4.41Å; Q597-W646 HydrophobicContact CG-CH2 4.07Å; Q597-W646 HydrophobicContact CG-CZ2 3.89Å; Q597-W646 HydrophobicContact CG-CZ3 4.33Å
598	L	92.5	Very high	91.8	Very high	18 Å²	18	55.9 Å²	55.9	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.5	179.9	-62.8	167.4	0	0	0	110.4	V596 H600 I606 T645	V596-L598 HydrophobicContact CG1-CD1 4.35Å; V596-L598 HydrophobicContact CG2-CD2 4.19Å; V596-L598 HydrophobicContact CG2-CG 4.15Å; L598-H600 VanDerWaalsContact C-N 3.35Å; L598-I606 HydrophobicContact CD1-CB 3.91Å; L598-I606 HydrophobicContact CD1-CG1 3.55Å; L598-I606 HydrophobicContact CD1-CG2 3.83Å; L598-T645 PolarHBondContact N-O 3.48Å; L598-T645 PolarHBondContact O-N 2.89Å
599	F	90.7	Very high	92.1	Very high	72 Å²	72	50.8 Å²	50.8	32%	0.316	25%	0.245	S	C	.	.	S	Bend	trans	-100.3	28.4	179.5	-54.8	-74.2	0	0	0	112.7	S324 S325 P327 I643 I644	S324-F599 VanDerWaalsContact O-CE1 3.29Å; S324-F599 WeakPolarHBondContact O-CE1 3.29Å; S325-F599 WeakPolarHBondContact O-CD1 3.38Å; P327-F599 HydrophobicContact CG-CB 3.98Å; F599-I643 CarbonylContact C-O 3.53Å; F599-I643 WeakPolarHBondContact CA-O 3.3Å; F599-I644 HydrophobicContact CD1-CG1 4.36Å; F599-I644 HydrophobicContact CE1-CG1 4.48Å
600	H	88.4	Confident	92.2	Very high	24 Å²	24	48.6 Å²	48.6	11%	0.111	24%	0.235	C	C	.	.			trans	-154.7	156.2	177.4	64.3	73.1	0	0	0	110	L598 R605 T645	L598-H600 VanDerWaalsContact C-N 3.35Å; H600-R605 VanDerWaalsContact CD2-CZ 3.43Å; H600-R605 PolarHBondContact CD2-NE 3.16Å; H600-R605 VanDerWaalsContact CE1-CG 3.45Å; H600-R605 WeakPolarHBondContact CE1-CG 3.42Å; H600-R605 VanDerWaalsContact NE2-CD 3.31Å; H600-R605 WeakPolarHBondContact NE2-CD 3.03Å; H600-R605 WeakPolarHBondContact NE2-CG 3.43Å; H600-R605 PolarHBondContact NE2-NE 2.84Å; H600-R605 VanDerWaalsContact NE2-NE 3.17Å; H600-T645 WeakPolarHBondContact O-CB 3.48Å; H600-T645 PolarHBondContact O-OG1 3.33Å; H600-T645 VanDerWaalsContact O-OG1 3.1Å
601	C	88.6	Confident	92.4	Very high	37 Å²	37	47.6 Å²	47.6	25%	0.25	23%	0.227	C	C	.	.			trans	-106.9	11	179	59.5	0	0	0	0	114.2	C508 P603 I635	C508-C601 PolarHBondContact SG-O 3.4Å; C601-P603 VanDerWaalsContact O-CD 3.23Å; C601-P603 WeakPolarHBondContact O-CD 3.39Å; C601-I635 HydrophobicContact CB-CD1 3.76Å
602	N	89.7	Confident	92.4	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	25%	0.252	C	S	.	.			trans	-67.8	116	179.1	-178.3	-55.8	0	0	0	111.9	Q604 R605 I606	N602-Q604 PolarHBondContact O-N 3.07Å; N602-Q604 PolarHBondContact OD1-N 3.34Å; N602-R605 HydrophobicContact CB-CB 4.1Å; N602-R605 PolarHBondContact O-N 3.23Å; N602-R605 PolarHBondContact OD1-N 3.39Å; N602-R605 VanDerWaalsContact OD1-N 3.09Å; N602-I606 WeakPolarHBondContact O-CG1 3.44Å; N602-I606 PolarHBondContact O-N 3.48Å
603	P	91.8	Very high	92.4	Very high	24 Å²	24	51.4 Å²	51.4	16%	0.156	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-38.6	-174.6	-25.5	35.6	0	0	0	114.9	L512 L515 C601 I606 L607	L512-P603 HydrophobicContact CB-CB 4.39Å; L512-P603 WeakPolarHBondContact CD1-O 3.28Å; L515-P603 HydrophobicContact CD1-CB 3.8Å; C601-P603 VanDerWaalsContact O-CD 3.23Å; C601-P603 WeakPolarHBondContact O-CD 3.39Å; P603-I606 PolarHBondContact O-N 2.77Å; P603-L607 PolarHBondContact O-N 2.87Å
604	Q	91.7	Very high	92.4	Very high	96 Å²	96	54.4 Å²	54.4	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-43.3	179.9	-66.2	-179.8	-9.7	0	0	111.2	L515 N602 L607 R608	L515-Q604 HydrophobicContact CD1-CB 4.33Å; L515-Q604 HydrophobicContact CD1-CG 3.71Å; L515-Q604 HydrophobicContact CD2-CG 4.25Å; N602-Q604 PolarHBondContact O-N 3.07Å; N602-Q604 PolarHBondContact OD1-N 3.34Å; Q604-L607 PolarHBondContact O-N 3.08Å; Q604-R608 WeakPolarHBondContact O-CG 3.22Å; Q604-R608 PolarHBondContact O-N 3.02Å
605	R	89.4	Confident	92.3	Very high	96 Å²	96	55.9 Å²	55.9	36%	0.362	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-39.9	177.5	-169.2	178.5	166	-177.4	-5.1	111.2	P143 H600 N602 R608 S609	P143-R605 PolarHBondContact O-NH1 3.46Å; H600-R605 VanDerWaalsContact CD2-CZ 3.43Å; H600-R605 PolarHBondContact CD2-NE 3.16Å; H600-R605 VanDerWaalsContact CE1-CG 3.45Å; H600-R605 WeakPolarHBondContact CE1-CG 3.42Å; H600-R605 VanDerWaalsContact NE2-CD 3.31Å; H600-R605 WeakPolarHBondContact NE2-CD 3.03Å; H600-R605 WeakPolarHBondContact NE2-CG 3.43Å; H600-R605 PolarHBondContact NE2-NE 2.84Å; H600-R605 VanDerWaalsContact NE2-NE 3.17Å; N602-R605 HydrophobicContact CB-CB 4.1Å; N602-R605 PolarHBondContact O-N 3.23Å; N602-R605 PolarHBondContact OD1-N 3.39Å; N602-R605 VanDerWaalsContact OD1-N 3.09Å; R605-R608 PolarHBondContact O-N 2.86Å; R605-S609 WeakPolarHBondContact O-CB 3.37Å; R605-S609 PolarHBondContact O-N 2.88Å; R605-S609 PolarHBondContact O-OG 3.23Å; R605-S609 VanDerWaalsContact O-OG 3.12Å
606	I	93.5	Very high	92.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.8	-55.6	173.3	-68.7	164.4	0	0	0	109.6	L512 L598 N602 P603 R608 S609 C610 T645 V647	L512-I606 HydrophobicContact CD1-CB 4.28Å; L512-I606 HydrophobicContact CD1-CG2 3.95Å; L512-I606 HydrophobicContact CD2-CG2 3.69Å; L598-I606 HydrophobicContact CD1-CB 3.91Å; L598-I606 HydrophobicContact CD1-CG1 3.55Å; L598-I606 HydrophobicContact CD1-CG2 3.83Å; N602-I606 WeakPolarHBondContact O-CG1 3.44Å; N602-I606 PolarHBondContact O-N 3.48Å; P603-I606 PolarHBondContact O-N 2.77Å; I606-R608 PolarHBondContact O-N 3.4Å; I606-S609 PolarHBondContact O-N 3.36Å; I606-C610 PolarHBondContact O-N 3.48Å; I606-C610 PolarHBondContact O-SG 2.87Å; I606-T645 HydrophobicContact CD1-CG2 4.03Å; I606-V647 HydrophobicContact CG2-CG1 4.42Å; I606-V647 HydrophobicContact CG2-CG2 3.89Å
607	L	94.5	Very high	92.3	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-45.2	-178.4	-175.9	62.5	0	0	0	111.9	L512 L515 A516 W519 P603 Q604 S609 C610 L611 L620 F649	L512-L607 HydrophobicContact CD1-CB 3.82Å; L515-L607 HydrophobicContact CB-CD2 3.61Å; A516-L607 HydrophobicContact CB-CD1 4.5Å; W519-L607 HydrophobicContact CB-CD2 4.34Å; P603-L607 PolarHBondContact O-N 2.87Å; Q604-L607 PolarHBondContact O-N 3.08Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 2.95Å; L607-C610 PolarHBondContact O-N 2.85Å; L607-L611 HydrophobicContact CD1-CD1 4.06Å; L607-L611 HydrophobicContact CD1-CG 4.04Å; L607-L611 HydrophobicContact CD2-CD1 4.36Å; L607-L611 HydrophobicContact CG-CD1 3.77Å; L607-L611 HydrophobicContact CG-CG 4.19Å; L607-L611 WeakPolarHBondContact O-CB 3.43Å; L607-L611 WeakPolarHBondContact O-CG 3.21Å; L607-L611 PolarHBondContact O-N 2.93Å; L607-L620 HydrophobicContact CD1-CD1 3.92Å; L607-F649 HydrophobicContact CD1-CZ 4.23Å
608	R	92.1	Very high	92.3	Very high	168 Å²	168	57.9 Å²	57.9	63%	0.634	27%	0.266	S	S	*	.	H	α-helix	trans	-58.5	-44.7	177.1	-74.1	176.7	-176.6	173	2.8	112.1	Q604 R605 I606 L611 R612	Q604-R608 WeakPolarHBondContact O-CG 3.22Å; Q604-R608 PolarHBondContact O-N 3.02Å; R605-R608 PolarHBondContact O-N 2.86Å; I606-R608 PolarHBondContact O-N 3.4Å; R608-L611 PolarHBondContact O-N 2.98Å; R608-R612 PolarHBondContact O-N 3.31Å
609	S	92.1	Very high	92.4	Very high	30 Å²	30	57 Å²	57	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-46.1	176.5	-67.5	0	0	0	0	111.5	R605 I606 L607 L611 R612	R605-S609 WeakPolarHBondContact O-CB 3.37Å; R605-S609 PolarHBondContact O-N 2.88Å; R605-S609 PolarHBondContact O-OG 3.23Å; R605-S609 VanDerWaalsContact O-OG 3.12Å; I606-S609 PolarHBondContact O-N 3.36Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 2.95Å; S609-L611 VanDerWaalsContact C-N 3.34Å; S609-L611 PolarHBondContact O-N 3.49Å; S609-R612 WeakPolarHBondContact O-CB 3.45Å; S609-R612 PolarHBondContact O-N 2.74Å
610	C	93.9	Very high	92.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-45.5	176.5	-66.4	0	0	0	0	111.9	I606 L607 R612 S613 C616 F649	I606-C610 PolarHBondContact O-N 3.48Å; I606-C610 PolarHBondContact O-SG 2.87Å; L607-C610 PolarHBondContact O-N 2.85Å; C610-R612 PolarHBondContact O-N 3.07Å; C610-R612 VanDerWaalsContact O-N 3.14Å; C610-S613 WeakPolarHBondContact O-CB 3.43Å; C610-S613 PolarHBondContact O-N 3.3Å; C610-C616 WeakPolarHBondContact O-CB 3.34Å; C610-F649 HydrophobicContact CB-CD2 4.23Å; C610-F649 HydrophobicContact CB-CE2 4.01Å
611	L	94	Very high	92.6	Very high	29 Å²	29	53.5 Å²	53.5	15%	0.152	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.1	-178.7	-70.8	174.2	0	0	0	114.3	W519 L607 R608 S609 S613 R617 L620	W519-L611 HydrophobicContact CD2-CD1 4.19Å; W519-L611 HydrophobicContact CD2-CD2 3.9Å; W519-L611 HydrophobicContact CE3-CD2 4.29Å; W519-L611 HydrophobicContact CG-CD1 3.95Å; W519-L611 HydrophobicContact CH2-CD2 3.99Å; W519-L611 HydrophobicContact CZ2-CD2 3.57Å; W519-L611 HydrophobicContact CZ3-CD2 4.35Å; L607-L611 HydrophobicContact CD1-CD1 4.06Å; L607-L611 HydrophobicContact CD1-CG 4.04Å; L607-L611 HydrophobicContact CD2-CD1 4.36Å; L607-L611 HydrophobicContact CG-CD1 3.77Å; L607-L611 HydrophobicContact CG-CG 4.19Å; L607-L611 WeakPolarHBondContact O-CB 3.43Å; L607-L611 WeakPolarHBondContact O-CG 3.21Å; L607-L611 PolarHBondContact O-N 2.93Å; R608-L611 PolarHBondContact O-N 2.98Å; S609-L611 VanDerWaalsContact C-N 3.34Å; S609-L611 PolarHBondContact O-N 3.49Å; L611-S613 VanDerWaalsContact C-N 3.3Å; L611-R617 HydrophobicContact CD2-CG 4.08Å; L611-R617 WeakPolarHBondContact O-CD 3.27Å; L611-R617 WeakPolarHBondContact O-CG 3.23Å; L611-R617 PolarHBondContact O-NH1 2.81Å; L611-L620 HydrophobicContact CD2-CD1 3.91Å
612	R	92.7	Very high	92.6	Very high	198 Å²	198	52.4 Å²	52.4	75%	0.747	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.5	169.3	-68.8	176.8	176.4	176.3	-3.4	111.6	R608 S609 C610 R617	R608-R612 PolarHBondContact O-N 3.31Å; S609-R612 WeakPolarHBondContact O-CB 3.45Å; S609-R612 PolarHBondContact O-N 2.74Å; C610-R612 PolarHBondContact O-N 3.07Å; C610-R612 VanDerWaalsContact O-N 3.14Å; R612-R617 VanDerWaalsContact C-NH1 3.28Å; R612-R617 PolarHBondContact O-NH1 3.31Å
613	S	93.4	Very high	92.3	Very high	27 Å²	27	59.4 Å²	59.4	19%	0.189	27%	0.267	C	S	.	.	S	Bend	trans	-76.6	130.3	175.5	176.4	0	0	0	0	111.6	Y594 C610 L611 L615 C616 R617	Y594-S613 WeakPolarHBondContact CE2-OG 3.45Å; Y594-S613 VanDerWaalsContact CZ-CB 3.49Å; Y594-S613 WeakPolarHBondContact OH-CB 3.33Å; C610-S613 WeakPolarHBondContact O-CB 3.43Å; C610-S613 PolarHBondContact O-N 3.3Å; L611-S613 VanDerWaalsContact C-N 3.3Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 3.45Å; S613-L615 PolarHBondContact OG-N 2.96Å; S613-C616 PolarHBondContact O-N 2.96Å; S613-R617 PolarHBondContact O-N 3.3Å
614	Q	94.2	Very high	91.6	Very high	99 Å²	99	59.8 Å²	59.8	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-42	174.3	-178.8	58.3	34.6	0	0	111.5	C616 R617 D618	Q614-C616 VanDerWaalsContact C-N 3.29Å; Q614-C616 PolarHBondContact O-N 2.91Å; Q614-R617 WeakPolarHBondContact O-CB 3.41Å; Q614-R617 PolarHBondContact O-N 3.34Å; Q614-R617 VanDerWaalsContact O-N 3.11Å; Q614-R617 VanDerWaalsContact OE1-CZ 3.29Å; Q614-R617 VanDerWaalsContact OE1-NE 3.1Å; Q614-D618 VanDerWaalsContact NE2-CG 3.3Å; Q614-D618 PolarHBondContact NE2-OD1 3.16Å; Q614-D618 PolarHBondContact NE2-OD2 3.33Å; Q614-D618 VanDerWaalsContact O-CG 3.3Å; Q614-D618 PolarHBondContact O-N 3.49Å
615	L	94	Very high	91	Very high	84 Å²	84	59.4 Å²	59.4	44%	0.44	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-39.7	-178.5	-168.6	151.6	0	0	0	111.5	Y594 S613 D618 I619	Y594-L615 HydrophobicContact CD2-CD2 3.84Å; Y594-L615 HydrophobicContact CG-CD2 4.07Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 3.45Å; S613-L615 PolarHBondContact OG-N 2.96Å; L615-D618 PolarHBondContact O-N 2.93Å; L615-I619 HydrophobicContact CD2-CD1 3.5Å; L615-I619 HydrophobicContact CD2-CG1 4.25Å; L615-I619 WeakPolarHBondContact O-CG1 3.41Å; L615-I619 PolarHBondContact O-N 3.18Å
616	C	94.5	Very high	90.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-41	175.8	-171.2	0	0	0	0	112.5	Y594 C610 S613 Q614 D618 I619 L620	Y594-C616 HydrophobicContact CD1-CB 3.53Å; Y594-C616 HydrophobicContact CE1-CB 3.89Å; Y594-C616 HydrophobicContact CG-CB 4.02Å; C610-C616 WeakPolarHBondContact O-CB 3.34Å; S613-C616 PolarHBondContact O-N 2.96Å; Q614-C616 VanDerWaalsContact C-N 3.29Å; Q614-C616 PolarHBondContact O-N 2.91Å; C616-D618 PolarHBondContact O-N 3.43Å; C616-I619 PolarHBondContact O-N 3.16Å; C616-L620 PolarHBondContact O-N 2.85Å
617	R	94.8	Very high	90.6	Very high	83 Å²	83	63.3 Å²	63.3	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-37.8	173.8	-69.6	-171.1	-66.2	-96.5	5.5	111.6	W519 L611 R612 S613 Q614 G621	W519-R617 HydrophobicContact CH2-CB 4.49Å; W519-R617 HydrophobicContact CZ2-CG 4.46Å; L611-R617 HydrophobicContact CD2-CG 4.08Å; L611-R617 WeakPolarHBondContact O-CD 3.27Å; L611-R617 WeakPolarHBondContact O-CG 3.23Å; L611-R617 PolarHBondContact O-NH1 2.81Å; R612-R617 VanDerWaalsContact C-NH1 3.28Å; R612-R617 PolarHBondContact O-NH1 3.31Å; S613-R617 PolarHBondContact O-N 3.3Å; Q614-R617 WeakPolarHBondContact O-CB 3.41Å; Q614-R617 PolarHBondContact O-N 3.34Å; Q614-R617 VanDerWaalsContact O-N 3.11Å; Q614-R617 VanDerWaalsContact OE1-CZ 3.29Å; Q614-R617 VanDerWaalsContact OE1-NE 3.1Å; R617-G621 VanDerWaalsContact O-CA 3.29Å; R617-G621 WeakPolarHBondContact O-CA 3.38Å; R617-G621 PolarHBondContact O-N 3.47Å
618	D	92.9	Very high	90.5	Very high	79 Å²	79	65.3 Å²	65.3	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-71.5	-38.2	178.4	-65.6	-26.9	0	0	0	112.3	Q614 L615 C616 C622	Q614-D618 VanDerWaalsContact NE2-CG 3.3Å; Q614-D618 PolarHBondContact NE2-OD1 3.16Å; Q614-D618 PolarHBondContact NE2-OD2 3.33Å; Q614-D618 VanDerWaalsContact O-CG 3.3Å; Q614-D618 PolarHBondContact O-N 3.49Å; L615-D618 PolarHBondContact O-N 2.93Å; C616-D618 PolarHBondContact O-N 3.43Å; D618-C622 WeakPolarHBondContact O-CA 3.44Å; D618-C622 WeakPolarHBondContact O-CB 3.48Å; D618-C622 PolarHBondContact O-N 2.68Å
619	I	93.4	Very high	90.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-54.9	173.2	-71.9	173.7	0	0	0	110.4	K592 S593 L615 C616 G621 C622 F649 C651	K592-I619 HydrophobicContact CB-CD1 4.12Å; K592-I619 HydrophobicContact CB-CG1 3.87Å; S593-I619 VanDerWaalsContact C-CD1 3.49Å; L615-I619 HydrophobicContact CD2-CD1 3.5Å; L615-I619 HydrophobicContact CD2-CG1 4.25Å; L615-I619 WeakPolarHBondContact O-CG1 3.41Å; L615-I619 PolarHBondContact O-N 3.18Å; C616-I619 PolarHBondContact O-N 3.16Å; I619-G621 VanDerWaalsContact C-N 3.32Å; I619-G621 PolarHBondContact O-N 3.1Å; I619-C622 VanDerWaalsContact O-CB 3.29Å; I619-C622 WeakPolarHBondContact O-CB 3.39Å; I619-C622 PolarHBondContact O-N 3.26Å; I619-F649 HydrophobicContact CG2-CB 4.34Å; I619-C651 HydrophobicContact CG2-CB 3.91Å
620	L	92.7	Very high	90.8	Very high	2 Å²	2	56 Å²	56	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-30.2	-178.1	-71.9	177.6	0	0	0	112.6	A516 W519 R520 L607 L611 C616 F649	A516-L620 HydrophobicContact CB-CD2 4.24Å; W519-L620 HydrophobicContact CE3-CB 3.98Å; W519-L620 HydrophobicContact CH2-CB 4.29Å; W519-L620 HydrophobicContact CZ3-CB 3.48Å; W519-L620 VanDerWaalsContact CZ3-CB 3.48Å; R520-L620 WeakPolarHBondContact CD-O 3.17Å; R520-L620 PolarHBondContact NH1-O 3.39Å; L607-L620 HydrophobicContact CD1-CD1 3.92Å; L611-L620 HydrophobicContact CD2-CD1 3.91Å; C616-L620 PolarHBondContact O-N 2.85Å; L620-F649 HydrophobicContact CD1-CD1 4.49Å; L620-F649 HydrophobicContact CD1-CE1 4.43Å; L620-F649 HydrophobicContact CD2-CD1 3.65Å; L620-F649 HydrophobicContact CD2-CE1 3.89Å; L620-F649 HydrophobicContact CD2-CG 4.35Å; L620-F649 HydrophobicContact CG-CD1 4.32Å
621	G	90.9	Very high	90.9	Very high	20 Å²	20	56.1 Å²	56.1	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.3	179.5	0	0	0	0	0	114.2	R617 I619 R623	R617-G621 VanDerWaalsContact O-CA 3.29Å; R617-G621 WeakPolarHBondContact O-CA 3.38Å; R617-G621 PolarHBondContact O-N 3.47Å; I619-G621 VanDerWaalsContact C-N 3.32Å; I619-G621 PolarHBondContact O-N 3.1Å; G621-R623 PolarHBondContact O-N 2.89Å
622	C	88.4	Confident	91	Very high	13 Å²	13	54.8 Å²	54.8	9%	0.088	26%	0.256	C	S	.	.			trans	-53.6	129.6	-174.8	-178.1	0	0	0	0	111.9	R520 D618 I619 Y653	R520-C622 VanDerWaalsContact CZ-O 3.28Å; R520-C622 PolarHBondContact NH1-O 3.02Å; R520-C622 PolarHBondContact NH2-O 3.49Å; D618-C622 WeakPolarHBondContact O-CA 3.44Å; D618-C622 WeakPolarHBondContact O-CB 3.48Å; D618-C622 PolarHBondContact O-N 2.68Å; I619-C622 VanDerWaalsContact O-CB 3.29Å; I619-C622 WeakPolarHBondContact O-CB 3.39Å; I619-C622 PolarHBondContact O-N 3.26Å; C622-Y653 WeakPolarHBondContact SG-CD1 3.42Å
623	R	83.7	Confident	91.2	Very high	185 Å²	185	45.4 Å²	45.4	70%	0.698	22%	0.221	S	C	*	.			trans	-111	136.5	174.1	-63.6	-178.4	178.5	-169.6	-4.5	108.5	L524 G621	L524-R623 HydrophobicContact CD2-CG 3.78Å; G621-R623 PolarHBondContact O-N 2.89Å
624	G	77.3	Confident	91.2	Very high	32 Å²	32	49.3 Å²	49.3	33%	0.33	23%	0.232	S	C	.	.	S	Bend	trans	171.8	177.2	177.6	0	0	0	0	0	111.3	V627	G624-V627 WeakPolarHBondContact O-CG2 3.42Å
625	D	78.5	Confident	91.2	Very high	88 Å²	88	45 Å²	45	47%	0.471	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.2	169	-68.3	-22.3	0	0	0	109.7	V627 K654	D625-V627 VanDerWaalsContact C-N 3.33Å; D625-V627 PolarHBondContact O-N 3.47Å; D625-K654 PolarHBondContact O-N 3.11Å
626	Y	84.6	Confident	91.1	Very high	175 Å²	175	42.3 Å²	42.3	69%	0.686	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	55.4	40.6	176.2	-55.7	-83.1	0	0	0	114.5	Q628	Y626-Q628 PolarHBondContact O-N 3.44Å
627	V	89.6	Confident	91	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.7	175.9	179.9	0	0	0	0	110.2	W532 K533 G624 D625 L629	W532-V627 WeakPolarHBondContact CA-O 3.44Å; W532-V627 HydrophobicContact CB-CB 4.21Å; W532-V627 HydrophobicContact CB-CG1 4.19Å; W532-V627 WeakPolarHBondContact CB-O 3.33Å; K533-V627 PolarHBondContact N-O 3.32Å; K533-V627 VanDerWaalsContact N-O 3.16Å; G624-V627 WeakPolarHBondContact O-CG2 3.42Å; D625-V627 VanDerWaalsContact C-N 3.33Å; D625-V627 PolarHBondContact O-N 3.47Å; V627-L629 HydrophobicContact CG1-CD2 4.2Å; V627-L629 HydrophobicContact CG1-CG 4.47Å
628	Q	93.1	Very high	90.8	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.262	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	169.7	-52.9	173.1	-39.2	0	0	109.4	K533 D535 Y626 C651 S652	K533-Q628 CarbonylContact O-C 3.53Å; K533-Q628 VanDerWaalsContact O-CA 3.27Å; K533-Q628 WeakPolarHBondContact O-CA 3.46Å; D535-Q628 HydrophobicContact CB-CB 4.26Å; Y626-Q628 PolarHBondContact O-N 3.44Å; Q628-C651 CarbonylContact O-C 3.55Å; Q628-C651 VanDerWaalsContact O-CA 3.23Å; Q628-C651 WeakPolarHBondContact O-CA 3.23Å; Q628-S652 WeakPolarHBondContact CB-OG 3.33Å; Q628-S652 PolarHBondContact N-O 3.12Å; Q628-S652 PolarHBondContact O-N 3.04Å; Q628-S652 PolarHBondContact OE1-OG 2.74Å; Q628-S652 VanDerWaalsContact OE1-OG 3.1Å
629	L	94.8	Very high	90.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.3	176.4	-62.2	179.5	0	0	0	109.5	W532 K533 W534 D535 V627 A650 C651	W532-L629 HydrophobicContact CG-CD1 4.15Å; K533-L629 PolarHBondContact O-N 3.03Å; W534-L629 CarbonylContact C-O 3.59Å; W534-L629 VanDerWaalsContact CA-O 3.28Å; W534-L629 WeakPolarHBondContact CA-O 3.28Å; W534-L629 HydrophobicContact CD2-CB 4.14Å; W534-L629 HydrophobicContact CE3-CB 3.74Å; W534-L629 HydrophobicContact CH2-CB 4.12Å; W534-L629 HydrophobicContact CH2-CD1 4.38Å; W534-L629 HydrophobicContact CZ2-CB 4.49Å; W534-L629 HydrophobicContact CZ2-CD1 4.28Å; W534-L629 HydrophobicContact CZ3-CB 3.73Å; D535-L629 PolarHBondContact N-O 2.97Å; V627-L629 HydrophobicContact CG1-CD2 4.2Å; V627-L629 HydrophobicContact CG1-CG 4.47Å; L629-A650 WeakPolarHBondContact CA-O 3.29Å; L629-C651 HydrophobicContact CD2-CB 3.7Å
630	A	95.9	Very high	90.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139	172.7	0	0	0	0	0	110.2	L538 E539 L542 A650	L538-A630 HydrophobicContact CB-CB 3.93Å; L538-A630 HydrophobicContact CD2-CB 3.66Å; L538-A630 HydrophobicContact CG-CB 3.66Å; E539-A630 HydrophobicContact CG-CB 3.73Å; L542-A630 HydrophobicContact CD1-CB 4.09Å; A630-A650 HydrophobicContact CB-CB 4.34Å; A630-A650 PolarHBondContact N-O 3.1Å; A630-A650 PolarHBondContact O-N 3.2Å
631	L	96.6	Very high	90.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	103.3	173.6	177.5	64.1	0	0	0	110.9	R509 L512 R513 W534 E539 L633 V647 I648 F649	R509-L631 HydrophobicContact CG-CD2 3.88Å; R509-L631 HydrophobicContact CG-CG 4.49Å; L512-L631 HydrophobicContact CB-CD2 4.07Å; L512-L631 HydrophobicContact CD2-CD1 3.84Å; L512-L631 HydrophobicContact CD2-CD2 3.94Å; L512-L631 HydrophobicContact CG-CD2 4.08Å; R513-L631 HydrophobicContact CG-CD2 3.84Å; W534-L631 HydrophobicContact CE3-CB 4.39Å; W534-L631 HydrophobicContact CH2-CB 4.43Å; W534-L631 HydrophobicContact CZ3-CB 3.74Å; E539-L631 VanDerWaalsContact CG-O 3.29Å; E539-L631 WeakPolarHBondContact CG-O 3.41Å; E539-L631 PolarHBondContact OE1-N 3.38Å; L631-L633 HydrophobicContact CG-CB 4.49Å; L631-V647 HydrophobicContact CD1-CG1 3.61Å; L631-I648 WeakPolarHBondContact CA-O 3.49Å; L631-F649 HydrophobicContact CD1-CD1 3.98Å; L631-F649 HydrophobicContact CD1-CE1 3.73Å; L631-F649 HydrophobicContact CD1-CE2 4.41Å; L631-F649 HydrophobicContact CD1-CG 4.44Å; L631-F649 HydrophobicContact CD1-CZ 3.97Å
632	G	95.7	Very high	90.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.3	164.3	0	0	0	0	0	109.5	V647 I648	G632-V647 CarbonylContact O-C 3.48Å; G632-V647 WeakPolarHBondContact O-CA 3.14Å; G632-I648 PolarHBondContact N-O 3.2Å; G632-I648 PolarHBondContact O-N 3.26Å
633	L	95.8	Very high	90.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.5	176.4	-170.6	152.4	0	0	0	110.7	T505 L512 L631 I635 W646 V647	T505-L633 HydrophobicContact CG2-CD2 3.69Å; L512-L633 HydrophobicContact CD2-CD1 3.92Å; L631-L633 HydrophobicContact CG-CB 4.49Å; L633-I635 HydrophobicContact CD2-CD1 4.24Å; L633-I635 HydrophobicContact CD2-CG1 3.82Å; L633-W646 WeakPolarHBondContact CA-O 3.34Å; L633-V647 HydrophobicContact CD1-CG2 4.13Å; L633-V647 HydrophobicContact CG-CG2 4.27Å
634	R	94.3	Very high	90.8	Very high	110 Å²	110	29.2 Å²	29.2	42%	0.415	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.8	173.3	-169.7	176	-178.4	165.1	-0.4	109.8	I546 I636 W646	I546-R634 HydrophobicContact CD1-CB 4.47Å; I546-R634 HydrophobicContact CG2-CB 3.73Å; R634-I636 HydrophobicContact CG-CG1 4.32Å; R634-W646 PolarHBondContact N-O 3.03Å; R634-W646 PolarHBondContact O-N 3.46Å
635	I	93.8	Very high	91.6	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.5	171	-55.6	-179.7	0	0	0	107.3	V501 I504 T505 C508 C601 L633 I643 I644 T645	V501-I635 HydrophobicContact CG1-CB 3.98Å; V501-I635 HydrophobicContact CG1-CG2 4.2Å; V501-I635 WeakPolarHBondContact CG1-O 3.09Å; I504-I635 HydrophobicContact CG2-CD1 3.84Å; T505-I635 WeakPolarHBondContact OG1-CB 3.28Å; C508-I635 HydrophobicContact CB-CD1 4.16Å; C601-I635 HydrophobicContact CB-CD1 3.76Å; L633-I635 HydrophobicContact CD2-CD1 4.24Å; L633-I635 HydrophobicContact CD2-CG1 3.82Å; I635-I643 HydrophobicContact CG2-CG2 3.62Å; I635-I644 CarbonylContact C-O 3.5Å; I635-I644 WeakPolarHBondContact CA-O 3.35Å; I635-T645 HydrophobicContact CG1-CG2 4.19Å
636	I	92.2	Very high	92.5	Very high	28 Å²	28	24.2 Å²	24.2	14%	0.144	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	176.3	-56.1	170.6	0	0	0	106.6	E550 R634 Y638 I643 I644	E550-I636 HydrophobicContact CB-CD1 4.1Å; E550-I636 HydrophobicContact CG-CD1 3.51Å; R634-I636 HydrophobicContact CG-CG1 4.32Å; I636-Y638 HydrophobicContact CB-CE2 4.36Å; I636-Y638 HydrophobicContact CG2-CD2 4.32Å; I636-Y638 HydrophobicContact CG2-CE2 3.6Å; I636-I643 WeakPolarHBondContact O-CA 3.28Å; I636-I644 PolarHBondContact N-O 3.34Å; I636-I644 PolarHBondContact O-N 3.49Å
637	T	91.6	Very high	93	Very high	27 Å²	27	15.9 Å²	15.9	17%	0.166	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.9	175.7	53.2	0	0	0	0	110.4	V501 A642 I643	V501-T637 HydrophobicContact CG2-CG2 3.63Å; V501-T637 WeakPolarHBondContact CG2-OG1 3.42Å; T637-A642 CarbonylContact C-O 3.53Å; T637-A642 WeakPolarHBondContact CA-O 3.32Å; T637-I643 HydrophobicContact CG2-CG1 3.97Å
638	Y	91.6	Very high	93.4	Very high	15 Å²	15	15.7 Å²	15.7	6%	0.059	7%	0.072	C	C	.	.			trans	-110.6	-171.5	170.6	-66.9	-88.4	0	0	0	110.1	I318 R321 F322 P497 E550 I636 N641 A642 I644	I318-Y638 HydrophobicContact CG2-CE1 4.35Å; R321-Y638 HydrophobicContact CG-CE1 4.19Å; R321-Y638 VanDerWaalsContact CG-OH 3.31Å; R321-Y638 WeakPolarHBondContact CG-OH 3.38Å; F322-Y638 HydrophobicContact CB-CD1 3.93Å; F322-Y638 HydrophobicContact CB-CG 4.15Å; F322-Y638 HydrophobicContact CD2-CG 4.43Å; P497-Y638 WeakPolarHBondContact CB-O 3.49Å; E550-Y638 PolarHBondContact OE1-OH 3.17Å; I636-Y638 HydrophobicContact CB-CE2 4.36Å; I636-Y638 HydrophobicContact CG2-CD2 4.32Å; I636-Y638 HydrophobicContact CG2-CE2 3.6Å; Y638-N641 PolarHBondContact O-N 3.33Å; Y638-A642 PolarHBondContact N-O 2.83Å; Y638-I644 HydrophobicContact CD2-CD1 4.43Å; Y638-I644 HydrophobicContact CD2-CG1 4.38Å; Y638-I644 HydrophobicContact CE2-CD1 3.65Å; Y638-I644 HydrophobicContact CE2-CG1 3.92Å
639	A	92	Very high	93.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-50.4	157.7	169.1	0	0	0	0	0	111.9	I312 L313 F322 L494 N495 N641 A642	I312-A639 HydrophobicContact CG2-CB 3.85Å; L313-A639 HydrophobicContact CD2-CB 4.39Å; F322-A639 HydrophobicContact CD2-CB 4.1Å; F322-A639 HydrophobicContact CE1-CB 4.42Å; F322-A639 HydrophobicContact CE2-CB 3.86Å; F322-A639 WeakPolarHBondContact CE2-O 3.4Å; F322-A639 HydrophobicContact CG-CB 4.48Å; F322-A639 HydrophobicContact CZ-CB 4.04Å; L494-A639 HydrophobicContact CD1-CB 4.44Å; L494-A639 HydrophobicContact CD2-CB 3.32Å; L494-A639 HydrophobicContact CG-CB 3.7Å; N495-A639 WeakPolarHBondContact O-CA 3.18Å; N495-A639 WeakPolarHBondContact O-CB 3.21Å; A639-N641 PolarHBondContact O-N 2.85Å; A639-A642 WeakPolarHBondContact O-CB 3.32Å; A639-A642 PolarHBondContact O-N 2.96Å
640	E	89.8	Confident	93.6	Very high	12 Å²	12	13 Å²	13	6%	0.056	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	62.5	10	-178.2	-51	-57.1	138.7	0	0	115.6	R85 F322 V349 L494 N495 A642	R85-E640 IonicContact CZ-OE1 2.73Å; R85-E640 IonicContact CZ-OE2 3.92Å; R85-E640 IonicContact NH1-OE1 3.22Å; R85-E640 IonicContact NH1-OE2 3.17Å; R85-E640 PolarHBondContact NH1-OE2 3.13Å; R85-E640 IonicContact NH2-OE1 3.02Å; R85-E640 PolarHBondContact NH2-OE1 3.4Å; R85-E640 IonicContact NH2-OE2 3.2Å; R85-E640 PolarHBondContact NH2-OE2 2.75Å; F322-E640 HydrophobicContact CE2-CB 4.34Å; F322-E640 HydrophobicContact CE2-CG 4.19Å; F322-E640 HydrophobicContact CZ-CG 3.88Å; V349-E640 HydrophobicContact CB-CG 3.95Å; V349-E640 HydrophobicContact CG1-CG 4.25Å; L494-E640 WeakPolarHBondContact CA-OE1 3.3Å; L494-E640 HydrophobicContact CD1-CG 3.69Å; L494-E640 WeakPolarHBondContact CD1-OE1 3.25Å; L494-E640 HydrophobicContact CG-CG 4.31Å; L494-E640 WeakPolarHBondContact CG-OE1 3.12Å; N495-E640 PolarHBondContact N-OE1 3.23Å; N495-E640 PolarHBondContact O-N 2.9Å; E640-A642 PolarHBondContact O-N 3.34Å
641	N	87.1	Confident	93.5	Very high	31 Å²	31	13 Å²	13	17%	0.166	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	56.3	31.8	-166.1	-48.3	-67	0	0	0	112.4	I498 Y638 A639	I498-N641 PolarHBondContact N-OD1 3.32Å; Y638-N641 PolarHBondContact O-N 3.33Å; A639-N641 PolarHBondContact O-N 2.85Å
642	A	90.1	Very high	93.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.			trans	-66.2	135.3	167.5	0	0	0	0	0	108.9	F322 S325 I326 T637 Y638 A639 E640	F322-A642 HydrophobicContact CD2-CB 4.14Å; F322-A642 HydrophobicContact CE2-CB 3.94Å; S325-A642 WeakPolarHBondContact OG-CB 3.47Å; I326-A642 HydrophobicContact CG1-CB 4.39Å; T637-A642 CarbonylContact C-O 3.53Å; T637-A642 WeakPolarHBondContact CA-O 3.32Å; Y638-A642 PolarHBondContact N-O 2.83Å; A639-A642 WeakPolarHBondContact O-CB 3.32Å; A639-A642 PolarHBondContact O-N 2.96Å; E640-A642 PolarHBondContact O-N 3.34Å
643	I	89.8	Confident	93.1	Very high	23 Å²	23	14.4 Å²	14.4	12%	0.118	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.5	-167.8	-72.2	163.8	0	0	0	110.4	F599 I635 I636 T637	F599-I643 CarbonylContact C-O 3.53Å; F599-I643 WeakPolarHBondContact CA-O 3.3Å; I635-I643 HydrophobicContact CG2-CG2 3.62Å; I636-I643 WeakPolarHBondContact O-CA 3.28Å; T637-I643 HydrophobicContact CG2-CG1 3.97Å
644	I	92.7	Very high	92.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.2	163.3	-53.9	-174.1	0	0	0	108.4	R321 Q597 F599 I635 I636 Y638	R321-I644 VanDerWaalsContact NH2-CD1 3.34Å; Q597-I644 HydrophobicContact CG-CG2 3.82Å; F599-I644 HydrophobicContact CD1-CG1 4.36Å; F599-I644 HydrophobicContact CE1-CG1 4.48Å; I635-I644 CarbonylContact C-O 3.5Å; I635-I644 WeakPolarHBondContact CA-O 3.35Å; I636-I644 PolarHBondContact N-O 3.34Å; I636-I644 PolarHBondContact O-N 3.49Å; Y638-I644 HydrophobicContact CD2-CD1 4.43Å; Y638-I644 HydrophobicContact CD2-CG1 4.38Å; Y638-I644 HydrophobicContact CE2-CD1 3.65Å; Y638-I644 HydrophobicContact CE2-CG1 3.92Å
645	T	94.2	Very high	92	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.3	175.4	-58.7	0	0	0	0	109	L598 H600 I606 I635 V647	L598-T645 PolarHBondContact N-O 3.48Å; L598-T645 PolarHBondContact O-N 2.89Å; H600-T645 WeakPolarHBondContact O-CB 3.48Å; H600-T645 PolarHBondContact O-OG1 3.33Å; H600-T645 VanDerWaalsContact O-OG1 3.1Å; I606-T645 HydrophobicContact CD1-CG2 4.03Å; I635-T645 HydrophobicContact CG1-CG2 4.19Å; T645-V647 HydrophobicContact CG2-CG2 3.85Å
646	W	96.4	Very high	90.8	Very high	14 Å²	14	21.8 Å²	21.8	5%	0.053	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.7	171.1	-76.5	102.1	0	0	0	109.6	I546 Y549 E550 Q553 Q597 L633 R634	I546-W646 HydrophobicContact CB-CB 4.49Å; I546-W646 HydrophobicContact CD1-CB 4.49Å; I546-W646 HydrophobicContact CG1-CB 4.41Å; I546-W646 HydrophobicContact CG2-CB 3.35Å; I546-W646 HydrophobicContact CG2-CG 3.74Å; Y549-W646 HydrophobicContact CD2-CZ3 4.44Å; Y549-W646 HydrophobicContact CG-CZ3 4.43Å; E550-W646 PolarHBondContact OE2-NE1 2.96Å; Q553-W646 HydrophobicContact CG-CZ2 4.06Å; Q597-W646 HydrophobicContact CB-CD2 4.3Å; Q597-W646 HydrophobicContact CB-CE3 3.95Å; Q597-W646 HydrophobicContact CB-CH2 3.81Å; Q597-W646 HydrophobicContact CB-CZ2 4.16Å; Q597-W646 HydrophobicContact CB-CZ3 3.71Å; Q597-W646 HydrophobicContact CG-CD2 4.26Å; Q597-W646 HydrophobicContact CG-CE3 4.41Å; Q597-W646 HydrophobicContact CG-CH2 4.07Å; Q597-W646 HydrophobicContact CG-CZ2 3.89Å; Q597-W646 HydrophobicContact CG-CZ3 4.33Å; L633-W646 WeakPolarHBondContact CA-O 3.34Å; R634-W646 PolarHBondContact N-O 3.03Å; R634-W646 PolarHBondContact O-N 3.46Å
647	V	96.6	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.4	178.5	-175.7	0	0	0	0	109.4	L512 P595 V596 I606 L631 G632 L633 T645 F649	L512-V647 HydrophobicContact CD2-CG1 4.04Å; P595-V647 CarbonylContact C-O 3.55Å; P595-V647 WeakPolarHBondContact CA-O 3.44Å; V596-V647 HydrophobicContact CG1-CB 3.72Å; V596-V647 HydrophobicContact CG1-CG1 4.47Å; V596-V647 PolarHBondContact N-O 3.48Å; V596-V647 PolarHBondContact O-N 2.92Å; I606-V647 HydrophobicContact CG2-CG1 4.42Å; I606-V647 HydrophobicContact CG2-CG2 3.89Å; L631-V647 HydrophobicContact CD1-CG1 3.61Å; G632-V647 CarbonylContact O-C 3.48Å; G632-V647 WeakPolarHBondContact O-CA 3.14Å; L633-V647 HydrophobicContact CD1-CG2 4.13Å; L633-V647 HydrophobicContact CG-CG2 4.27Å; T645-V647 HydrophobicContact CG2-CG2 3.85Å; V647-F649 HydrophobicContact CG1-CD2 4.03Å; V647-F649 HydrophobicContact CG1-CE2 3.89Å
648	I	96.9	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.8	170.5	-55	-175.3	0	0	0	107.8	L542 L545 I546 Y549 Y594 P595 L631 G632	L542-I648 HydrophobicContact CD1-CB 4.4Å; L542-I648 HydrophobicContact CD1-CG2 4.15Å; L542-I648 HydrophobicContact CD2-CG2 4.2Å; L545-I648 HydrophobicContact CD2-CD1 3.96Å; L545-I648 HydrophobicContact CG-CD1 4.16Å; I546-I648 HydrophobicContact CD1-CD1 4.18Å; I546-I648 HydrophobicContact CD1-CG1 4.09Å; I546-I648 HydrophobicContact CG1-CD1 3.46Å; I546-I648 VanDerWaalsContact CG1-CD1 3.46Å; I546-I648 HydrophobicContact CG1-CG1 3.78Å; Y549-I648 HydrophobicContact CD2-CD1 4.3Å; Y549-I648 HydrophobicContact CE2-CD1 3.88Å; Y594-I648 WeakPolarHBondContact O-CA 2.97Å; P595-I648 HydrophobicContact CB-CD1 4.46Å; P595-I648 HydrophobicContact CB-CG1 4.08Å; L631-I648 WeakPolarHBondContact CA-O 3.49Å; G632-I648 PolarHBondContact N-O 3.2Å; G632-I648 PolarHBondContact O-N 3.26Å
649	F	96.9	Very high	89	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.1	164.3	-79.1	-73.9	0	0	0	108.9	L512 A516 S593 Y594 L607 C610 I619 L620 L631 V647	L512-F649 HydrophobicContact CD1-CZ 4.04Å; L512-F649 HydrophobicContact CD2-CE2 4.36Å; L512-F649 HydrophobicContact CD2-CZ 3.91Å; L512-F649 HydrophobicContact CG-CZ 3.86Å; A516-F649 HydrophobicContact CB-CE1 4.22Å; S593-F649 CarbonylContact C-O 3.53Å; S593-F649 VanDerWaalsContact CA-O 3.29Å; S593-F649 WeakPolarHBondContact CA-O 3.48Å; Y594-F649 PolarHBondContact N-O 3.31Å; Y594-F649 PolarHBondContact O-N 3.15Å; Y594-F649 VanDerWaalsContact O-N 3.15Å; L607-F649 HydrophobicContact CD1-CZ 4.23Å; C610-F649 HydrophobicContact CB-CD2 4.23Å; C610-F649 HydrophobicContact CB-CE2 4.01Å; I619-F649 HydrophobicContact CG2-CB 4.34Å; L620-F649 HydrophobicContact CD1-CD1 4.49Å; L620-F649 HydrophobicContact CD1-CE1 4.43Å; L620-F649 HydrophobicContact CD2-CD1 3.65Å; L620-F649 HydrophobicContact CD2-CE1 3.89Å; L620-F649 HydrophobicContact CD2-CG 4.35Å; L620-F649 HydrophobicContact CG-CD1 4.32Å; L631-F649 HydrophobicContact CD1-CD1 3.98Å; L631-F649 HydrophobicContact CD1-CE1 3.73Å; L631-F649 HydrophobicContact CD1-CE2 4.41Å; L631-F649 HydrophobicContact CD1-CG 4.44Å; L631-F649 HydrophobicContact CD1-CZ 3.97Å; V647-F649 HydrophobicContact CG1-CD2 4.03Å; V647-F649 HydrophobicContact CG1-CE2 3.89Å
650	A	96.2	Very high	88.8	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.1	176.8	0	0	0	0	0	111.9	L542 F591 K592 L629 A630	L542-A650 HydrophobicContact CD1-CB 4.04Å; F591-A650 HydrophobicContact CE2-CB 3.71Å; F591-A650 HydrophobicContact CZ-CB 4.18Å; K592-A650 CarbonylContact O-C 3.56Å; K592-A650 WeakPolarHBondContact O-CA 3.5Å; L629-A650 WeakPolarHBondContact CA-O 3.29Å; A630-A650 HydrophobicContact CB-CB 4.34Å; A630-A650 PolarHBondContact N-O 3.1Å; A630-A650 PolarHBondContact O-N 3.2Å
651	C	94.2	Very high	88.8	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.7	170.3	67.8	0	0	0	0	110.8	F591 K592 I619 Q628 L629	F591-C651 WeakPolarHBondContact CA-O 3.38Å; K592-C651 PolarHBondContact N-O 3.21Å; K592-C651 PolarHBondContact O-N 3.39Å; I619-C651 HydrophobicContact CG2-CB 3.91Å; Q628-C651 CarbonylContact O-C 3.55Å; Q628-C651 VanDerWaalsContact O-CA 3.23Å; Q628-C651 WeakPolarHBondContact O-CA 3.23Å; L629-C651 HydrophobicContact CD2-CB 3.7Å
652	S	93.1	Very high	88.9	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.4	161.6	64	0	0	0	0	109.2	T590 Q628	T590-S652 WeakPolarHBondContact O-CA 3.17Å; Q628-S652 WeakPolarHBondContact CB-OG 3.33Å; Q628-S652 PolarHBondContact N-O 3.12Å; Q628-S652 PolarHBondContact O-N 3.04Å; Q628-S652 PolarHBondContact OE1-OG 2.74Å; Q628-S652 VanDerWaalsContact OE1-OG 3.1Å
653	Y	90.5	Very high	88.8	Confident	30 Å²	30	37.7 Å²	37.7	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.6	179.7	64.9	-83.9	0	0	0	110.8	F589 T590 K592 C622	F589-Y653 WeakPolarHBondContact CA-O 3.27Å; F589-Y653 VanDerWaalsContact CD1-C 3.43Å; T590-Y653 HydrophobicContact CG2-CE1 4.03Å; T590-Y653 PolarHBondContact N-O 2.84Å; T590-Y653 PolarHBondContact O-N 3.19Å; T590-Y653 VanDerWaalsContact O-N 3.12Å; K592-Y653 HydrophobicContact CD-CE1 4.3Å; K592-Y653 WeakPolarHBondContact CE-OH 3.4Å; K592-Y653 PolarHBondContact NZ-OH 3.38Å; C622-Y653 WeakPolarHBondContact SG-CD1 3.42Å
654	K	87.6	Confident	88.7	Confident	94 Å²	94	38.8 Å²	38.8	41%	0.409	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122	171.7	-168.3	175.2	-177.7	179	0	109	F589 D625 I656	F589-K654 HydrophobicContact CD1-CB 4.44Å; F589-K654 HydrophobicContact CD2-CB 4.28Å; F589-K654 HydrophobicContact CE1-CB 4.14Å; F589-K654 HydrophobicContact CE2-CB 3.98Å; F589-K654 HydrophobicContact CE2-CD 4.3Å; F589-K654 HydrophobicContact CE2-CG 4.28Å; F589-K654 HydrophobicContact CZ-CB 3.91Å; D625-K654 PolarHBondContact O-N 3.11Å; K654-I656 PolarHBondContact O-N 3.43Å
655	S	78.2	Confident	88.4	Confident	62 Å²	62	41.8 Å²	41.8	43%	0.434	21%	0.214	S	C	.	.			trans	-72.6	125.5	175.3	-164.2	0	0	0	0	109.2
656	I	69.6	Low	87.9	Confident	116 Å²	116	45.3 Å²	45.3	60%	0.595	23%	0.231	S	C	*	.			trans	-91.6	111.3	164.7	-53.1	168.6	0	0	0	104.4	K654	K654-I656 PolarHBondContact O-N 3.43Å
657	I	59	Low	87.2	Confident	223 Å²	223	48.1 Å²	48.1	100%	1.144	25%	0.248	S	C	*	.			trans	-74.4	0	169.6	-61.6	176.9	0	0	0	108.1

Retrieved 657 of 657 residues in 2173.9 ms (Link to these results)

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