A0A096MZF0_PAPAN Loading...

Histone acetyltransferase KAT5

AlphaFold DB , UniProt , Accession A0A096MZF0, Species PAPAN (Papio anubis, Olive baboon), Gene KAT5, Length 546 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	33.8	Very low	241 Å²	241	130.5 Å²	130.5	100%	1.187	84%	0.836	S	S	*	*				0	75.4	0	-67.4	175	172.1	0	0	105.6
2	A	29.2	Very low	33.5	Very low	93 Å²	93	126.6 Å²	126.6	77%	0.769	84%	0.839	S	S	*	*				56.2	126.9	77.3	0	0	0	0	0	110.9
3	E	28.4	Very low	33.3	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	84%	0.838	S	S	*	*			cis	-163.7	137.1	2.8	-108.7	175.8	126.1	0	0	105
4	V	28.8	Very low	32.9	Very low	125 Å²	125	139.3 Å²	139.3	76%	0.758	84%	0.835	S	S	*	*				62.5	130.4	91.2	-168.2	0	0	0	0	114.3
5	V	32.8	Very low	32.8	Very low	123 Å²	123	142.5 Å²	142.5	75%	0.745	84%	0.838	S	S	*	*				160.5	112.2	119	171.5	0	0	0	0	110.3
6	S	31.6	Very low	33.5	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	84%	0.835	S	S	*	*			trans	-85	166.2	151	-56.1	0	0	0	0	109.3
7	P	44	Very low	33.3	Very low	124 Å²	124	137 Å²	137	81%	0.805	83%	0.828	S	S	*	*				-152.1	162.7	99.5	33.7	-13.5	0	0	0	116.5
8	V	35.5	Very low	33.2	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	83%	0.831	S	S	*	*			trans	-91.8	159.7	163.1	-159.4	0	0	0	0	107.9
9	P	42.3	Very low	33.1	Very low	130 Å²	130	139.2 Å²	139.2	84%	0.844	83%	0.828	S	S	*	*				-157.8	173.5	85.4	37.1	-14.9	0	0	0	116.2
10	G	29.8	Very low	33	Very low	81 Å²	81	135.4 Å²	135.4	84%	0.835	82%	0.819	S	S	*	*			trans	137.6	115	143.8	0	0	0	0	0	118.6
11	A	31.9	Very low	32.9	Very low	113 Å²	113	141 Å²	141	93%	0.934	83%	0.825	S	S	*	*			trans	-94.4	158.9	174	0	0	0	0	0	112.9
12	G	30.3	Very low	32.6	Very low	84 Å²	84	134.4 Å²	134.4	87%	0.866	81%	0.809	S	S	*	*			trans	-168.7	144.5	171.6	0	0	0	0	0	114.4
13	R	30	Very low	32.9	Very low	219 Å²	219	142.2 Å²	142.2	83%	0.826	82%	0.819	S	S	*	*			trans	-97	157.5	-159.3	-79.3	175.4	170.4	-166.7	-1	116.5
14	R	28.7	Very low	33.1	Very low	212 Å²	212	137.3 Å²	137.3	80%	0.8	81%	0.813	S	S	*	*			trans	50.2	120.5	135.6	-64.6	-177	-174.4	-166	-0	123
15	E	31.5	Very low	33.8	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	82%	0.817	S	S	*	*			trans	22.4	165	130.6	-66	-145.3	158.4	0	0	122.8
16	P	44	Very low	34	Very low	123 Å²	123	137.1 Å²	137.1	80%	0.799	82%	0.817	S	S	*	*			cis	-142.1	-177.8	16.6	38.2	-16.4	0	0	0	116.7
17	G	28.8	Very low	34.1	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	82%	0.821	S	S	*	*			trans	150.6	90.2	151.8	0	0	0	0	0	120.1
18	E	31.4	Very low	33.7	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	82%	0.82	S	S	*	*			trans	69.8	118.7	131.3	-70.9	-166.2	121.9	0	0	125.8
19	V	32.6	Very low	33.6	Very low	126 Å²	126	138 Å²	138	76%	0.764	82%	0.82	S	S	*	*				75.8	101.6	123.4	-170.6	0	0	0	0	120.1
20	G	30.7	Very low	33.6	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	82%	0.821	S	S	*	*				75.9	114.5	101.8	0	0	0	0	0	121.2
21	R	31	Very low	33.8	Very low	252 Å²	252	137 Å²	137	95%	0.951	81%	0.809	S	S	*	*			trans	100.9	127.3	137.4	-74.6	-172.1	175.4	-165	0.1	121.2
22	A	31.2	Very low	33.8	Very low	103 Å²	103	136.5 Å²	136.5	85%	0.851	81%	0.805	S	S	*	*			trans	97.3	123	132.8	0	0	0	0	0	119.3
23	R	36.4	Very low	34	Very low	258 Å²	258	136.9 Å²	136.9	97%	0.974	80%	0.8	S	S	*	*			trans	-69.9	145.1	177.5	-70.5	173.4	167.4	-166.5	-5	112.2
24	G	31.2	Very low	34.2	Very low	63 Å²	63	134 Å²	134	65%	0.649	80%	0.8	S	S	*	*			trans	-138.6	143.4	149.5	0	0	0	0	0	108.6
25	P	44.6	Very low	34.5	Very low	130 Å²	130	128.5 Å²	128.5	84%	0.844	79%	0.794	S	S	*	*			trans	-82.6	153	-171.7	34.8	-32.2	0	0	0	110.7
26	P	37.3	Very low	35.1	Very low	114 Å²	114	125.7 Å²	125.7	74%	0.74	79%	0.792	S	S	*	*			trans	-141.4	138	130.8	18.8	3.4	0	0	0	115.1
27	V	33.8	Very low	35.3	Very low	138 Å²	138	127.4 Å²	127.4	84%	0.836	79%	0.789	S	S	*	*			trans	74.4	117.3	131.9	-172.9	0	0	0	0	117.9
28	A	35	Very low	36.7	Very low	95 Å²	95	126.1 Å²	126.1	79%	0.785	78%	0.776	S	S	*	*			trans	-64	129.1	173.9	0	0	0	0	0	111.8
29	D	32.3	Very low	39	Very low	147 Å²	147	123.4 Å²	123.4	79%	0.786	76%	0.764	S	S	*	*			trans	-89.8	120.9	167.6	-157.3	3.3	0	0	0	108.4	G31	D29-G31 PolarHBondContact O-N 3.19Å
30	P	42.4	Very low	41.5	Very low	134 Å²	134	118.2 Å²	118.2	87%	0.87	73%	0.732	S	S	*	*	S	Bend	trans	-82.3	75.1	177.4	33.6	-30	0	0	0	108.6
31	G	35.3	Very low	44.2	Very low	57 Å²	57	119.1 Å²	119.1	59%	0.588	72%	0.72	S	S	*	*			trans	-152.2	32	-177.1	0	0	0	0	0	112.6	D29 A33	D29-G31 PolarHBondContact O-N 3.19Å; G31-A33 PolarHBondContact O-N 3.41Å
32	A	31.7	Very low	46.9	Very low	103 Å²	103	111.1 Å²	111.1	85%	0.851	69%	0.694	S	S	*	*			trans	-71.1	84.1	168.2	0	0	0	0	0	108.7	L34	A32-L34 PolarHBondContact O-N 2.76Å
33	A	34.8	Very low	49.6	Very low	91 Å²	91	107.3 Å²	107.3	75%	0.752	66%	0.664	S	S	*	*			trans	-48	132.5	161.4	0	0	0	0	0	109	G31 S35	G31-A33 PolarHBondContact O-N 3.41Å; A33-S35 PolarHBondContact O-N 3.37Å
34	L	33.7	Very low	52.2	Low	160 Å²	160	95 Å²	95	84%	0.838	62%	0.618	S	S	*	*			trans	-41.1	134.3	170.8	-73.4	137.4	0	0	0	110.7	A32	A32-L34 PolarHBondContact O-N 2.76Å
35	S	35.6	Very low	55.2	Low	96 Å²	96	97.2 Å²	97.2	67%	0.671	61%	0.607	S	S	*	*			trans	-47.8	145.4	170.8	38.1	0	0	0	0	111.5	A33 Q37	A33-S35 PolarHBondContact O-N 3.37Å; S35-Q37 PolarHBondContact O-N 3.37Å
36	P	43.4	Very low	57.6	Low	127 Å²	127	91 Å²	91	83%	0.825	57%	0.566	S	S	*	*			trans	-67	105.7	178.3	28.1	-30.6	0	0	0	107.6	G38	P36-G38 PolarHBondContact O-N 2.57Å
37	Q	46.8	Very low	60.3	Low	159 Å²	159	86.2 Å²	86.2	74%	0.743	54%	0.535	S	S	*	.			trans	-56.2	111.5	159.4	-67.7	170.6	2.7	0	0	105.2	S35 E39	S35-Q37 PolarHBondContact O-N 3.37Å; Q37-E39 PolarHBondContact O-N 3.32Å
38	G	59.5	Low	63.2	Low	43 Å²	43	79.7 Å²	79.7	44%	0.443	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-49.4	129.8	-171.2	0	0	0	0	0	110.7	P36 I40	P36-G38 PolarHBondContact O-N 2.57Å; G38-I40 PolarHBondContact O-N 3.13Å
39	E	79.6	Confident	66	Low	132 Å²	132	76.9 Å²	76.9	62%	0.617	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-53.5	131.1	177.8	-174	166.6	-152.4	0	0	109.5	Q37 I41 K74	Q37-E39 PolarHBondContact O-N 3.32Å; E39-I41 PolarHBondContact O-N 3.5Å; E39-K74 IonicContact OE1-NZ 2.92Å; E39-K74 PolarHBondContact OE1-NZ 3.12Å
40	I	84.5	Confident	68.7	Low	17 Å²	17	71.2 Å²	71.2	9%	0.087	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-66.2	117.8	179.1	-56.1	170.7	0	0	0	107.4	G38 C44 I64 F76 L96 L98 I101	G38-I40 PolarHBondContact O-N 3.13Å; I40-C44 HydrophobicContact CG2-CB 4.44Å; I40-I64 HydrophobicContact CG2-CG1 3.93Å; I40-F76 HydrophobicContact CB-CD1 4.46Å; I40-F76 HydrophobicContact CB-CE1 3.73Å; I40-F76 HydrophobicContact CB-CZ 4.37Å; I40-F76 HydrophobicContact CD1-CE1 3.93Å; I40-F76 HydrophobicContact CD1-CZ 3.82Å; I40-F76 HydrophobicContact CG1-CE1 4.44Å; I40-F76 HydrophobicContact CG2-CD1 3.88Å; I40-F76 HydrophobicContact CG2-CE1 3.66Å; I40-L96 HydrophobicContact CD1-CD1 3.59Å; I40-L98 HydrophobicContact CD1-CD2 3.4Å; I40-L98 VanDerWaalsContact CD1-CD2 3.4Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; I40-I101 HydrophobicContact CG1-CD1 4.21Å
41	I	87.4	Confident	70.8	Confident	83 Å²	83	73 Å²	73	43%	0.426	42%	0.424	S	S	.	.			trans	-110.4	164.3	180	58.8	170.6	0	0	0	111	E39 C44 F103 P104	E39-I41 PolarHBondContact O-N 3.5Å; I41-C44 VanDerWaalsContact CG1-SG 3.51Å; I41-C44 VanDerWaalsContact O-CB 3.27Å; I41-C44 WeakPolarHBondContact O-CB 3.41Å; I41-C44 PolarHBondContact O-N 3.24Å; I41-C44 PolarHBondContact O-SG 2.95Å; I41-F103 HydrophobicContact CD1-CD1 4.34Å; I41-F103 HydrophobicContact CG1-CD1 4.19Å; I41-P104 HydrophobicContact CD1-CG 4.39Å
42	E	89.1	Confident	73	Confident	84 Å²	84	71.9 Å²	71.9	39%	0.393	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	141.5	171	-60.6	-178.5	164.6	0	0	110.7	C44 S66 V67	E42-C44 VanDerWaalsContact C-N 3.3Å; E42-C44 PolarHBondContact O-N 3.36Å; E42-S66 WeakPolarHBondContact OE1-CA 3.36Å; E42-S66 PolarHBondContact OE1-OG 3.25Å; E42-V67 HydrophobicContact CG-CG2 4.35Å
43	G	86.1	Confident	75.1	Confident	22 Å²	22	75.6 Å²	75.6	23%	0.227	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-4.9	-173.4	0	0	0	0	0	115.1	I64	G43-I64 PolarHBondContact N-O 3.35Å
44	C	91.8	Very high	77.4	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.4	C	S	.	.			trans	-60.3	138.1	171.1	-79.1	0	0	0	0	110.7	I40 I41 E42 E63 I64 I101 Q102 F103	I40-C44 HydrophobicContact CG2-CB 4.44Å; I41-C44 VanDerWaalsContact CG1-SG 3.51Å; I41-C44 VanDerWaalsContact O-CB 3.27Å; I41-C44 WeakPolarHBondContact O-CB 3.41Å; I41-C44 PolarHBondContact O-N 3.24Å; I41-C44 PolarHBondContact O-SG 2.95Å; E42-C44 VanDerWaalsContact C-N 3.3Å; E42-C44 PolarHBondContact O-N 3.36Å; C44-E63 CarbonylContact O-C 3.58Å; C44-E63 WeakPolarHBondContact O-CA 3.39Å; C44-I64 HydrophobicContact CB-CB 4.41Å; C44-I64 HydrophobicContact CB-CG1 4.05Å; C44-I64 PolarHBondContact O-N 3.09Å; C44-I101 HydrophobicContact CB-CD1 4.13Å; C44-I101 HydrophobicContact CB-CG1 4.2Å; C44-Q102 CarbonylContact C-O 3.56Å; C44-Q102 WeakPolarHBondContact CA-O 3.17Å; C44-F103 WeakPolarHBondContact SG-CD1 3.35Å
45	R	93.8	Very high	79.7	Confident	110 Å²	110	75.7 Å²	75.7	42%	0.415	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	174.1	-64.9	178	176.5	174.5	2.2	110.7	L61 A62 E63 I81 Q102	R45-L61 HydrophobicContact CB-CD1 4.44Å; R45-A62 CarbonylContact C-O 3.52Å; R45-A62 WeakPolarHBondContact CA-O 3.35Å; R45-E63 HydrophobicContact CG-CB 4.11Å; R45-E63 HydrophobicContact CG-CG 4.09Å; R45-E63 IonicContact CZ-OE2 2.84Å; R45-E63 IonicContact NE-OE2 2.65Å; R45-E63 PolarHBondContact NE-OE2 3.33Å; R45-E63 IonicContact NH2-OE2 2.96Å; R45-E63 PolarHBondContact NH2-OE2 3Å; R45-I81 HydrophobicContact CG-CD1 4.16Å; R45-Q102 HydrophobicContact CB-CB 4.23Å; R45-Q102 PolarHBondContact N-O 3.45Å; R45-Q102 WeakPolarHBondContact O-CB 3.37Å; R45-Q102 PolarHBondContact O-N 3.08Å
46	L	95.1	Very high	82.2	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	155.3	-178	66	176	0	0	0	110.8	V48 A62 I64 L96 L98 I101	L46-V48 HydrophobicContact CD2-CG2 4.48Å; L46-V48 HydrophobicContact CG-CG2 4.29Å; L46-V48 PolarHBondContact O-N 3.15Å; L46-A62 PolarHBondContact N-O 2.91Å; L46-A62 PolarHBondContact O-N 2.89Å; L46-I64 HydrophobicContact CD2-CD1 3.65Å; L46-I64 HydrophobicContact CD2-CG1 3.65Å; L46-L96 HydrophobicContact CD1-CB 3.84Å; L46-L96 HydrophobicContact CD1-CD1 4.44Å; L46-L96 HydrophobicContact CD1-CD2 4.33Å; L46-L96 HydrophobicContact CD1-CG 4.43Å; L46-L98 HydrophobicContact CD1-CD2 3.83Å; L46-I101 HydrophobicContact CB-CB 4.37Å; L46-I101 HydrophobicContact CB-CG1 4.42Å; L46-I101 HydrophobicContact CD1-CD1 4.42Å; L46-I101 HydrophobicContact CD1-CG1 4.46Å
47	P	95.4	Very high	84.4	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.084	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.2	171.2	-19.8	32.8	0	0	0	110.8	W59 P60 D97 K100	P47-W59 HydrophobicContact CB-CB 4.12Å; P47-W59 HydrophobicContact CB-CE3 4.33Å; P47-P60 WeakPolarHBondContact CA-O 3.47Å; P47-D97 HydrophobicContact CB-CB 4.02Å; P47-D97 HydrophobicContact CG-CB 4.3Å; P47-D97 PolarHBondContact O-N 3.08Å; P47-K100 HydrophobicContact CG-CB 3.98Å; P47-K100 HydrophobicContact CG-CD 3.93Å
48	V	94.8	Very high	86.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-124.9	125.7	-180	178.3	0	0	0	0	109.6	L46 R50 P60 A62 V78 Y80 V91 R95 L96	L46-V48 HydrophobicContact CD2-CG2 4.48Å; L46-V48 HydrophobicContact CG-CG2 4.29Å; L46-V48 PolarHBondContact O-N 3.15Å; V48-R50 PolarHBondContact O-N 3.34Å; V48-P60 PolarHBondContact N-O 2.83Å; V48-P60 WeakPolarHBondContact O-CD 3.49Å; V48-A62 HydrophobicContact CB-CB 4.01Å; V48-A62 HydrophobicContact CG2-CB 3.63Å; V48-V78 HydrophobicContact CG1-CG2 4.31Å; V48-V78 HydrophobicContact CG2-CG1 4.29Å; V48-Y80 HydrophobicContact CB-CE1 3.98Å; V48-Y80 HydrophobicContact CG1-CE1 4.11Å; V48-V91 HydrophobicContact CG1-CB 4.45Å; V48-V91 HydrophobicContact CG1-CG1 4.08Å; V48-V91 HydrophobicContact CG1-CG2 4.04Å; V48-R95 CarbonylContact C-O 3.42Å; V48-R95 VanDerWaalsContact CA-O 3.31Å; V48-R95 WeakPolarHBondContact CA-O 3.39Å; V48-R95 HydrophobicContact CG1-CB 4.45Å; V48-L96 HydrophobicContact CB-CD2 4.35Å; V48-L96 HydrophobicContact CG1-CD2 4.06Å; V48-L96 HydrophobicContact CG2-CD2 3.52Å
49	L	92.9	Very high	88.2	Confident	37 Å²	37	75.1 Å²	75.1	19%	0.194	36%	0.355	C	S	.	.			trans	-58.3	124.4	177.7	-179.7	61.6	0	0	0	110	D57 E58 W59 R95	L49-D57 HydrophobicContact CD1-CB 3.71Å; L49-E58 WeakPolarHBondContact CA-O 3.29Å; L49-W59 HydrophobicContact CB-CD2 4.12Å; L49-W59 HydrophobicContact CB-CE3 3.99Å; L49-W59 HydrophobicContact CB-CH2 3.66Å; L49-W59 HydrophobicContact CB-CZ2 3.76Å; L49-W59 HydrophobicContact CB-CZ3 3.76Å; L49-W59 HydrophobicContact CD1-CD2 4.28Å; L49-W59 HydrophobicContact CD1-CZ2 3.83Å; L49-W59 HydrophobicContact CD2-CH2 4.45Å; L49-W59 HydrophobicContact CD2-CZ2 4.15Å; L49-W59 HydrophobicContact CG-CH2 4.44Å; L49-W59 HydrophobicContact CG-CZ2 4.12Å; L49-W59 VanDerWaalsContact N-CE3 3.35Å; L49-R95 HydrophobicContact CB-CB 4.06Å; L49-R95 HydrophobicContact CB-CG 4.29Å; L49-R95 HydrophobicContact CD2-CG 4.46Å; L49-R95 PolarHBondContact N-O 2.89Å; L49-R95 VanDerWaalsContact O-CZ 3.25Å; L49-R95 PolarHBondContact O-NE 3.24Å; L49-R95 PolarHBondContact O-NH2 3.24Å
50	R	90	Very high	88.9	Confident	27 Å²	27	69.3 Å²	69.3	10%	0.102	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.3	173.3	-162.3	-170.8	92	-150.9	-5.7	108.5	V48 E58 P60 Y80	V48-R50 PolarHBondContact O-N 3.34Å; R50-E58 IonicContact CZ-OE2 3.82Å; R50-E58 PolarHBondContact N-O 3Å; R50-E58 IonicContact NH2-OE2 3.6Å; R50-E58 PolarHBondContact NH2-OE2 3.18Å; R50-E58 PolarHBondContact O-N 2.87Å; R50-E58 VanDerWaalsContact O-O 3.13Å; R50-P60 HydrophobicContact CB-CG 4.3Å; R50-Y80 HydrophobicContact CB-CE1 3.99Å; R50-Y80 HydrophobicContact CG-CE1 4.33Å; R50-Y80 HydrophobicContact CG-CE2 4.2Å
51	R	85.4	Confident	89.4	Confident	171 Å²	171	71.4 Å²	71.4	65%	0.645	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	134	165.4	-72.9	-176.6	-179.9	169.5	1.7	110.3	E56 D57	R51-E56 WeakPolarHBondContact CA-O 3.41Å; R51-D57 WeakPolarHBondContact CG-OD1 3.33Å; R51-D57 IonicContact NE-OD1 2.89Å
52	N	81.3	Confident	89.7	Confident	35 Å²	35	67.5 Å²	67.5	19%	0.187	32%	0.32	C	S	.	.			trans	-80	-175	174.3	75.1	7.4	0	0	0	111.2	D54 N55 E56	N52-D54 PolarHBondContact O-N 3.47Å; N52-D54 WeakPolarHBondContact OD1-CA 3.5Å; N52-D54 PolarHBondContact OD1-N 2.94Å; N52-N55 PolarHBondContact O-N 3.39Å; N52-N55 PolarHBondContact OD1-N 3.2Å; N52-N55 VanDerWaalsContact OD1-N 3.13Å; N52-E56 PolarHBondContact N-O 3.23Å; N52-E56 PolarHBondContact ND2-OE2 3Å; N52-E56 PolarHBondContact OD1-N 2.95Å; N52-E56 PolarHBondContact OD1-O 3.31Å
53	Q	76.1	Confident	89.9	Confident	180 Å²	180	65 Å²	65	84%	0.841	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.4	-179.9	-77.5	171.3	76.4	0	0	113.1	N55	Q53-N55 VanDerWaalsContact C-N 3.33Å
54	D	83.1	Confident	90.2	Very high	125 Å²	125	64 Å²	64	67%	0.668	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	11	-179.7	-54.7	-55.5	0	0	0	112.1	N52 E56	N52-D54 PolarHBondContact O-N 3.47Å; N52-D54 WeakPolarHBondContact OD1-CA 3.5Å; N52-D54 PolarHBondContact OD1-N 2.94Å; D54-E56 HydrophobicContact CB-CG 4.27Å; D54-E56 PolarHBondContact O-N 3.13Å
55	N	82.2	Confident	90.1	Very high	128 Å²	128	64.7 Å²	64.7	68%	0.684	30%	0.302	S	S	*	.	S	Bend	trans	61.1	21.3	-174.9	-69	-36.3	0	0	0	115.1	N52 Q53	N52-N55 PolarHBondContact O-N 3.39Å; N52-N55 PolarHBondContact OD1-N 3.2Å; N52-N55 VanDerWaalsContact OD1-N 3.13Å; Q53-N55 VanDerWaalsContact C-N 3.33Å
56	E	87.9	Confident	89.9	Confident	125 Å²	125	60.4 Å²	60.4	58%	0.584	29%	0.288	S	S	*	.			trans	-87.2	146.3	172.6	-50.7	176.7	149.7	0	0	110.4	R51 N52 D54	R51-E56 WeakPolarHBondContact CA-O 3.41Å; N52-E56 PolarHBondContact N-O 3.23Å; N52-E56 PolarHBondContact ND2-OE2 3Å; N52-E56 PolarHBondContact OD1-N 2.95Å; N52-E56 PolarHBondContact OD1-O 3.31Å; D54-E56 HydrophobicContact CB-CG 4.27Å; D54-E56 PolarHBondContact O-N 3.13Å
57	D	90.6	Very high	89.7	Confident	98 Å²	98	62.5 Å²	62.5	52%	0.524	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123	179.6	-74.8	-20.3	0	0	0	110.5	L49 R51	L49-D57 HydrophobicContact CD1-CB 3.71Å; R51-D57 WeakPolarHBondContact CG-OD1 3.33Å; R51-D57 IonicContact NE-OD1 2.89Å
58	E	91.9	Very high	89.4	Confident	68 Å²	68	65.3 Å²	65.3	32%	0.318	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.9	178.4	-161.7	-168.9	168.1	0	0	109.5	L49 R50 P60	L49-E58 WeakPolarHBondContact CA-O 3.29Å; R50-E58 IonicContact CZ-OE2 3.82Å; R50-E58 PolarHBondContact N-O 3Å; R50-E58 IonicContact NH2-OE2 3.6Å; R50-E58 PolarHBondContact NH2-OE2 3.18Å; R50-E58 PolarHBondContact O-N 2.87Å; R50-E58 VanDerWaalsContact O-O 3.13Å; E58-P60 VanDerWaalsContact O-CD 3.29Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å
59	W	93.8	Very high	89.1	Confident	122 Å²	122	69.9 Å²	69.9	46%	0.462	34%	0.336	S	S	.	.			trans	-120.4	61.7	178	-68	83.7	0	0	0	111.6	P47 L49 R95 D97	P47-W59 HydrophobicContact CB-CB 4.12Å; P47-W59 HydrophobicContact CB-CE3 4.33Å; L49-W59 HydrophobicContact CB-CD2 4.12Å; L49-W59 HydrophobicContact CB-CE3 3.99Å; L49-W59 HydrophobicContact CB-CH2 3.66Å; L49-W59 HydrophobicContact CB-CZ2 3.76Å; L49-W59 HydrophobicContact CB-CZ3 3.76Å; L49-W59 HydrophobicContact CD1-CD2 4.28Å; L49-W59 HydrophobicContact CD1-CZ2 3.83Å; L49-W59 HydrophobicContact CD2-CH2 4.45Å; L49-W59 HydrophobicContact CD2-CZ2 4.15Å; L49-W59 HydrophobicContact CG-CH2 4.44Å; L49-W59 HydrophobicContact CG-CZ2 4.12Å; L49-W59 VanDerWaalsContact N-CE3 3.35Å; W59-R95 WeakPolarHBondContact CZ3-O 3.47Å; W59-D97 HydrophobicContact CE3-CB 3.99Å; W59-D97 HydrophobicContact CZ3-CB 3.85Å
60	P	93.9	Very high	88.8	Confident	10 Å²	10	72.1 Å²	72.1	7%	0.065	35%	0.348	C	S	.	.			trans	-62.2	149.8	176	28.7	-37.1	0	0	0	111.3	P47 V48 R50 E58 A62 Y80 F83	P47-P60 WeakPolarHBondContact CA-O 3.47Å; V48-P60 PolarHBondContact N-O 2.83Å; V48-P60 WeakPolarHBondContact O-CD 3.49Å; R50-P60 HydrophobicContact CB-CG 4.3Å; E58-P60 VanDerWaalsContact O-CD 3.29Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-A62 PolarHBondContact O-N 3.47Å; P60-Y80 HydrophobicContact CB-CD1 4.15Å; P60-Y80 HydrophobicContact CG-CD1 3.44Å; P60-Y80 VanDerWaalsContact CG-CD1 3.44Å; P60-Y80 HydrophobicContact CG-CE1 3.71Å; P60-Y80 HydrophobicContact CG-CG 4.42Å; P60-F83 HydrophobicContact CB-CD2 4.21Å; P60-F83 HydrophobicContact CB-CE2 3.49Å; P60-F83 VanDerWaalsContact CB-CE2 3.49Å; P60-F83 HydrophobicContact CB-CZ 4.06Å; P60-F83 HydrophobicContact CG-CE2 4.38Å
61	L	94.3	Very high	88.7	Confident	62 Å²	62	76.8 Å²	76.8	33%	0.325	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.9	172.5	-171.1	67.2	0	0	0	109.2	R45 I81	R45-L61 HydrophobicContact CB-CD1 4.44Å; L61-I81 HydrophobicContact CD2-CD1 3.85Å; L61-I81 HydrophobicContact CG-CD1 3.9Å; L61-I81 WeakPolarHBondContact O-CB 3.27Å; L61-I81 PolarHBondContact O-N 3.39Å
62	A	94.7	Very high	88.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.8	178	0	0	0	0	0	111.4	R45 L46 V48 P60 V78 H79 Y80	R45-A62 CarbonylContact C-O 3.52Å; R45-A62 WeakPolarHBondContact CA-O 3.35Å; L46-A62 PolarHBondContact N-O 2.91Å; L46-A62 PolarHBondContact O-N 2.89Å; V48-A62 HydrophobicContact CB-CB 4.01Å; V48-A62 HydrophobicContact CG2-CB 3.63Å; P60-A62 PolarHBondContact O-N 3.47Å; A62-V78 HydrophobicContact CB-CB 4.13Å; A62-H79 CarbonylContact C-O 3.6Å; A62-H79 WeakPolarHBondContact CA-O 3.49Å; A62-H79 WeakPolarHBondContact CB-O 3.49Å; A62-Y80 HydrophobicContact CB-CD1 3.85Å; A62-Y80 HydrophobicContact CB-CE1 4.27Å
63	E	93.4	Very high	88.8	Confident	33 Å²	33	79.5 Å²	79.5	15%	0.154	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.4	172.4	-171.2	171.6	137	0	0	110	C44 R45 L65 V78 H79	C44-E63 CarbonylContact O-C 3.58Å; C44-E63 WeakPolarHBondContact O-CA 3.39Å; R45-E63 HydrophobicContact CG-CB 4.11Å; R45-E63 HydrophobicContact CG-CG 4.09Å; R45-E63 IonicContact CZ-OE2 2.84Å; R45-E63 IonicContact NE-OE2 2.65Å; R45-E63 PolarHBondContact NE-OE2 3.33Å; R45-E63 IonicContact NH2-OE2 2.96Å; R45-E63 PolarHBondContact NH2-OE2 3Å; E63-L65 HydrophobicContact CG-CD2 4.23Å; E63-L65 PolarHBondContact O-N 3.11Å; E63-V78 WeakPolarHBondContact O-CA 3.39Å; E63-H79 PolarHBondContact N-O 3.27Å; E63-H79 PolarHBondContact O-N 3.12Å
64	I	92.6	Very high	89.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.8	172.3	-56.9	-50.9	0	0	0	108.3	I40 G43 C44 L46 V67 F76 V78 L96	I40-I64 HydrophobicContact CG2-CG1 3.93Å; G43-I64 PolarHBondContact N-O 3.35Å; C44-I64 HydrophobicContact CB-CB 4.41Å; C44-I64 HydrophobicContact CB-CG1 4.05Å; C44-I64 PolarHBondContact O-N 3.09Å; L46-I64 HydrophobicContact CD2-CD1 3.65Å; L46-I64 HydrophobicContact CD2-CG1 3.65Å; I64-V67 HydrophobicContact CG2-CG2 3.75Å; I64-F76 HydrophobicContact CD1-CB 4.06Å; I64-F76 HydrophobicContact CG2-CD1 4.29Å; I64-V78 HydrophobicContact CD1-CG1 3.62Å; I64-L96 HydrophobicContact CD1-CD2 4.4Å
65	L	89.8	Confident	89.9	Confident	15 Å²	15	70.5 Å²	70.5	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-31.2	178.1	-59.9	-173.8	0	0	0	112.8	E63 Y77 H79 R261 M262	E63-L65 HydrophobicContact CG-CD2 4.23Å; E63-L65 PolarHBondContact O-N 3.11Å; L65-Y77 HydrophobicContact CB-CD1 4.13Å; L65-Y77 HydrophobicContact CD1-CD1 4.08Å; L65-Y77 HydrophobicContact CD1-CE1 4.17Å; L65-Y77 PolarHBondContact N-O 3.36Å; L65-H79 HydrophobicContact CD1-CB 3.69Å; L65-H79 HydrophobicContact CD2-CB 4.3Å; L65-H79 HydrophobicContact CG-CB 3.94Å; L65-R261 HydrophobicContact CD1-CB 4.37Å; L65-M262 HydrophobicContact CB-CG 4.22Å; L65-M262 HydrophobicContact CB-SD 4.31Å; L65-M262 HydrophobicContact CD1-CG 4.34Å
66	S	89.3	Confident	90.4	Very high	20 Å²	20	64.5 Å²	64.5	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.4	176.3	-171.2	0	0	0	0	112.9	E42 F76 Y77 M262	E42-S66 WeakPolarHBondContact OE1-CA 3.36Å; E42-S66 PolarHBondContact OE1-OG 3.25Å; S66-F76 CarbonylContact O-C 3.48Å; S66-F76 WeakPolarHBondContact O-CA 3.06Å; S66-Y77 PolarHBondContact O-N 3.25Å; S66-M262 VanDerWaalsContact CB-CE 3.48Å; S66-M262 WeakPolarHBondContact CB-SD 3.33Å
67	V	90.1	Very high	90.6	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.9	176.5	-171.1	0	0	0	0	109.1	E42 I64 L75 F76	E42-V67 HydrophobicContact CG-CG2 4.35Å; I64-V67 HydrophobicContact CG2-CG2 3.75Å; V67-L75 WeakPolarHBondContact CA-O 3.41Å; V67-F76 HydrophobicContact CB-CD1 4.39Å; V67-F76 HydrophobicContact CB-CE1 4.5Å; V67-F76 HydrophobicContact CG1-CD1 3.94Å; V67-F76 HydrophobicContact CG1-CE1 3.67Å; V67-F76 HydrophobicContact CG1-CZ 4.45Å; V67-F76 HydrophobicContact CG2-CD1 3.79Å; V67-F76 HydrophobicContact CG2-CE1 4.05Å
68	K	89.7	Confident	90.7	Very high	71 Å²	71	54 Å²	54	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	173.1	71.4	-176.1	176.8	-173.2	0	111.1	I70 K74 L75 W90	K68-I70 HydrophobicContact CD-CD1 3.97Å; K68-I70 HydrophobicContact CD-CG1 4.29Å; K68-I70 HydrophobicContact CG-CD1 4.44Å; K68-I70 HydrophobicContact CG-CG1 4.29Å; K68-K74 WeakPolarHBondContact O-CA 3.33Å; K68-L75 HydrophobicContact CG-CB 3.9Å; K68-L75 PolarHBondContact N-O 3.12Å; K68-L75 PolarHBondContact O-N 2.89Å; K68-W90 HydrophobicContact CB-CH2 4.25Å; K68-W90 HydrophobicContact CB-CZ3 4.21Å; K68-W90 HydrophobicContact CD-CD2 4.28Å; K68-W90 HydrophobicContact CD-CE3 4Å; K68-W90 HydrophobicContact CD-CH2 3.55Å; K68-W90 HydrophobicContact CD-CZ2 3.83Å; K68-W90 HydrophobicContact CD-CZ3 3.63Å; K68-W90 VanDerWaalsContact CE-CD2 3.49Å; K68-W90 HydrophobicContact CG-CE3 4.07Å; K68-W90 HydrophobicContact CG-CH2 3.85Å; K68-W90 HydrophobicContact CG-CZ3 3.54Å; K68-W90 VanDerWaalsContact NZ-CE2 3.29Å
69	D	88.6	Confident	90.7	Very high	96 Å²	96	52.2 Å²	52.2	51%	0.513	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.7	171.3	-163.7	-42	0	0	0	109.3	G72 R73	D69-G72 WeakPolarHBondContact OD1-CA 3.4Å; D69-G72 PolarHBondContact OD1-N 2.88Å; D69-R73 PolarHBondContact OD1-N 3.05Å
70	I	86.9	Confident	90.7	Very high	84 Å²	84	46.4 Å²	46.4	43%	0.431	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.4	173.1	-56.8	-174.4	0	0	0	108.1	K68 G72 R73 L75	K68-I70 HydrophobicContact CD-CD1 3.97Å; K68-I70 HydrophobicContact CD-CG1 4.29Å; K68-I70 HydrophobicContact CG-CD1 4.44Å; K68-I70 HydrophobicContact CG-CG1 4.29Å; I70-G72 VanDerWaalsContact C-N 3.27Å; I70-G72 PolarHBondContact O-N 2.9Å; I70-R73 PolarHBondContact N-O 2.82Å; I70-R73 WeakPolarHBondContact O-CB 3.28Å; I70-R73 PolarHBondContact O-N 3.32Å; I70-L75 HydrophobicContact CD1-CD1 3.88Å; I70-L75 HydrophobicContact CG1-CD1 4.36Å
71	S	86.6	Confident	90.4	Very high	126 Å²	126	47.2 Å²	47.2	88%	0.881	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.8	176.6	-52.1	0	0	0	0	113.7	R73	S71-R73 VanDerWaalsContact C-N 3.3Å; S71-R73 PolarHBondContact O-N 3.02Å
72	G	83.9	Confident	90.1	Very high	64 Å²	64	48.6 Å²	48.6	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	5.3	-179.3	0	0	0	0	0	114.1	D69 I70	D69-G72 WeakPolarHBondContact OD1-CA 3.4Å; D69-G72 PolarHBondContact OD1-N 2.88Å; I70-G72 VanDerWaalsContact C-N 3.27Å; I70-G72 PolarHBondContact O-N 2.9Å
73	R	85.9	Confident	89.7	Confident	198 Å²	198	51.8 Å²	51.8	75%	0.747	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	115	173	-63.4	-176	-178.6	-174.2	-0.4	109.4	D69 I70 S71	D69-R73 PolarHBondContact OD1-N 3.05Å; I70-R73 PolarHBondContact N-O 2.82Å; I70-R73 WeakPolarHBondContact O-CB 3.28Å; I70-R73 PolarHBondContact O-N 3.32Å; S71-R73 VanDerWaalsContact C-N 3.3Å; S71-R73 PolarHBondContact O-N 3.02Å
74	K	89.5	Confident	89.2	Confident	82 Å²	82	53.5 Å²	53.5	36%	0.357	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.8	171.8	-68.6	-173.2	173.8	-173.7	0	110.6	E39 K68 F76	E39-K74 IonicContact OE1-NZ 2.92Å; E39-K74 PolarHBondContact OE1-NZ 3.12Å; K68-K74 WeakPolarHBondContact O-CA 3.33Å; K74-F76 HydrophobicContact CB-CE2 3.93Å; K74-F76 HydrophobicContact CB-CZ 3.79Å; K74-F76 HydrophobicContact CD-CZ 4.39Å
75	L	91.8	Very high	88.9	Confident	35 Å²	35	54.3 Å²	54.3	18%	0.183	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.6	172.6	-68.3	172.7	0	0	0	109.4	V67 K68 I70 W90 V91 T92	V67-L75 WeakPolarHBondContact CA-O 3.41Å; K68-L75 HydrophobicContact CG-CB 3.9Å; K68-L75 PolarHBondContact N-O 3.12Å; K68-L75 PolarHBondContact O-N 2.89Å; I70-L75 HydrophobicContact CD1-CD1 3.88Å; I70-L75 HydrophobicContact CG1-CD1 4.36Å; L75-W90 HydrophobicContact CB-CE3 3.89Å; L75-W90 HydrophobicContact CB-CZ3 4.47Å; L75-V91 WeakPolarHBondContact CA-O 3.48Å; L75-T92 HydrophobicContact CD2-CG2 3.78Å
76	F	92.8	Very high	88.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.1	-174.3	-55.1	-89.2	0	0	0	109	I40 I64 S66 V67 K74 V78 W90 V91 H93 L96	I40-F76 HydrophobicContact CB-CD1 4.46Å; I40-F76 HydrophobicContact CB-CE1 3.73Å; I40-F76 HydrophobicContact CB-CZ 4.37Å; I40-F76 HydrophobicContact CD1-CE1 3.93Å; I40-F76 HydrophobicContact CD1-CZ 3.82Å; I40-F76 HydrophobicContact CG1-CE1 4.44Å; I40-F76 HydrophobicContact CG2-CD1 3.88Å; I40-F76 HydrophobicContact CG2-CE1 3.66Å; I64-F76 HydrophobicContact CD1-CB 4.06Å; I64-F76 HydrophobicContact CG2-CD1 4.29Å; S66-F76 CarbonylContact O-C 3.48Å; S66-F76 WeakPolarHBondContact O-CA 3.06Å; V67-F76 HydrophobicContact CB-CD1 4.39Å; V67-F76 HydrophobicContact CB-CE1 4.5Å; V67-F76 HydrophobicContact CG1-CD1 3.94Å; V67-F76 HydrophobicContact CG1-CE1 3.67Å; V67-F76 HydrophobicContact CG1-CZ 4.45Å; V67-F76 HydrophobicContact CG2-CD1 3.79Å; V67-F76 HydrophobicContact CG2-CE1 4.05Å; K74-F76 HydrophobicContact CB-CE2 3.93Å; K74-F76 HydrophobicContact CB-CZ 3.79Å; K74-F76 HydrophobicContact CD-CZ 4.39Å; F76-V78 HydrophobicContact CB-CG1 4.36Å; F76-W90 CarbonylContact O-C 3.54Å; F76-W90 WeakPolarHBondContact O-CA 3.47Å; F76-V91 HydrophobicContact CB-CG2 4.08Å; F76-V91 PolarHBondContact N-O 2.75Å; F76-V91 PolarHBondContact O-N 3.17Å; F76-H93 HydrophobicContact CE2-CB 4.17Å; F76-L96 HydrophobicContact CB-CD1 4.46Å; F76-L96 HydrophobicContact CD1-CD1 4.23Å; F76-L96 HydrophobicContact CD2-CD1 3.55Å; F76-L96 HydrophobicContact CE1-CD1 4.44Å; F76-L96 HydrophobicContact CE2-CD1 3.76Å; F76-L96 HydrophobicContact CG-CD1 3.81Å; F76-L96 HydrophobicContact CZ-CD1 4.21Å
77	Y	92.6	Very high	88.5	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.3	171.8	-166.3	-93.9	0	0	0	108.5	L65 S66 D88 E89 W90 M262 K263	L65-Y77 HydrophobicContact CB-CD1 4.13Å; L65-Y77 HydrophobicContact CD1-CD1 4.08Å; L65-Y77 HydrophobicContact CD1-CE1 4.17Å; L65-Y77 PolarHBondContact N-O 3.36Å; S66-Y77 PolarHBondContact O-N 3.25Å; Y77-D88 HydrophobicContact CE1-CB 3.78Å; Y77-D88 WeakPolarHBondContact OH-CB 3.46Å; Y77-E89 WeakPolarHBondContact CA-O 3.46Å; Y77-W90 AromaticContact CD2-CD1 3.76Å; Y77-W90 AromaticContact CD2-CD2 3.8Å; Y77-W90 HydrophobicContact CD2-CD2 3.8Å; Y77-W90 AromaticContact CD2-CE2 3.54Å; Y77-W90 HydrophobicContact CD2-CE3 4.49Å; Y77-W90 AromaticContact CD2-CG 3.94Å; Y77-W90 HydrophobicContact CD2-CG 3.94Å; Y77-W90 HydrophobicContact CD2-CZ2 4.05Å; Y77-W90 AromaticContact CD2-NE1 3.51Å; Y77-W90 HydrophobicContact CG-CD2 4.36Å; Y77-W90 HydrophobicContact CG-CZ2 4.32Å; Y77-W90 VanDerWaalsContact N-CE3 3.29Å; Y77-M262 HydrophobicContact CD1-CB 4.24Å; Y77-M262 HydrophobicContact CD1-CG 3.55Å; Y77-M262 HydrophobicContact CD1-SD 3.68Å; Y77-M262 HydrophobicContact CE1-CB 4Å; Y77-M262 HydrophobicContact CE1-CG 3.71Å; Y77-M262 HydrophobicContact CE1-SD 4.37Å; Y77-M262 HydrophobicContact CG-CG 4.23Å; Y77-M262 HydrophobicContact CG-SD 3.81Å; Y77-K263 HydrophobicContact CE2-CG 4.45Å; Y77-K263 WeakPolarHBondContact OH-CG 3.4Å
78	V	92.5	Very high	88.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	-171.4	-56.8	0	0	0	0	111.2	V48 A62 E63 I64 F76 Y80 D88 E89 V91	V48-V78 HydrophobicContact CG1-CG2 4.31Å; V48-V78 HydrophobicContact CG2-CG1 4.29Å; A62-V78 HydrophobicContact CB-CB 4.13Å; E63-V78 WeakPolarHBondContact O-CA 3.39Å; I64-V78 HydrophobicContact CD1-CG1 3.62Å; F76-V78 HydrophobicContact CB-CG1 4.36Å; V78-Y80 HydrophobicContact CG2-CE1 4.38Å; V78-Y80 HydrophobicContact CG2-CE2 3.97Å; V78-D88 WeakPolarHBondContact O-CA 3.4Å; V78-D88 VanDerWaalsContact O-CB 3.31Å; V78-D88 WeakPolarHBondContact O-CB 3.21Å; V78-E89 HydrophobicContact CG2-CG 4.34Å; V78-E89 PolarHBondContact N-O 3.38Å; V78-E89 PolarHBondContact O-N 2.95Å; V78-V91 HydrophobicContact CG1-CG2 3.65Å; V78-V91 HydrophobicContact CG2-CG1 3.85Å; V78-V91 HydrophobicContact CG2-CG2 4.44Å
79	H	93.1	Very high	88.7	Confident	31 Å²	31	58 Å²	58	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.5	164.8	173.5	54.7	0	0	0	109.8	A62 E63 L65 I81 D88	A62-H79 CarbonylContact C-O 3.6Å; A62-H79 WeakPolarHBondContact CA-O 3.49Å; A62-H79 WeakPolarHBondContact CB-O 3.49Å; E63-H79 PolarHBondContact N-O 3.27Å; E63-H79 PolarHBondContact O-N 3.12Å; L65-H79 HydrophobicContact CD1-CB 3.69Å; L65-H79 HydrophobicContact CD2-CB 4.3Å; L65-H79 HydrophobicContact CG-CB 3.94Å; H79-I81 PolarHBondContact O-N 3.15Å; H79-D88 WeakPolarHBondContact CA-OD1 3.4Å; H79-D88 IonicContact CE1-OD1 3.18Å; H79-D88 IonicContact CG-OD1 3.84Å; H79-D88 IonicContact CG-OD2 3.34Å; H79-D88 IonicContact ND1-OD1 3.29Å; H79-D88 PolarHBondContact ND1-OD1 3.04Å; H79-D88 IonicContact ND1-OD2 2.73Å; H79-D88 PolarHBondContact ND1-OD2 2.92Å
80	Y	92.3	Very high	88.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.4	177.3	-65.3	-73.9	0	0	0	109.9	V48 R50 P60 A62 V78 D82 F83 L87 E89 R95	V48-Y80 HydrophobicContact CB-CE1 3.98Å; V48-Y80 HydrophobicContact CG1-CE1 4.11Å; R50-Y80 HydrophobicContact CB-CE1 3.99Å; R50-Y80 HydrophobicContact CG-CE1 4.33Å; R50-Y80 HydrophobicContact CG-CE2 4.2Å; P60-Y80 HydrophobicContact CB-CD1 4.15Å; P60-Y80 HydrophobicContact CG-CD1 3.44Å; P60-Y80 VanDerWaalsContact CG-CD1 3.44Å; P60-Y80 HydrophobicContact CG-CE1 3.71Å; P60-Y80 HydrophobicContact CG-CG 4.42Å; A62-Y80 HydrophobicContact CB-CD1 3.85Å; A62-Y80 HydrophobicContact CB-CE1 4.27Å; V78-Y80 HydrophobicContact CG2-CE1 4.38Å; V78-Y80 HydrophobicContact CG2-CE2 3.97Å; Y80-D82 PolarHBondContact O-N 3.12Å; Y80-F83 WeakPolarHBondContact O-CB 3.44Å; Y80-F83 PolarHBondContact O-N 2.69Å; Y80-L87 HydrophobicContact CD2-CB 4.24Å; Y80-L87 WeakPolarHBondContact CE2-O 3.45Å; Y80-E89 HydrophobicContact CE2-CG 4.25Å; Y80-E89 PolarHBondContact OH-OE1 2.7Å; Y80-R95 PolarHBondContact OH-NH2 3.32Å
81	I	88.1	Confident	89.1	Confident	28 Å²	28	53.6 Å²	53.6	14%	0.144	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	134.9	-177	-58.8	-177.1	0	0	0	109.2	R45 L61 H79 F83	R45-I81 HydrophobicContact CG-CD1 4.16Å; L61-I81 HydrophobicContact CD2-CD1 3.85Å; L61-I81 HydrophobicContact CG-CD1 3.9Å; L61-I81 WeakPolarHBondContact O-CB 3.27Å; L61-I81 PolarHBondContact O-N 3.39Å; H79-I81 PolarHBondContact O-N 3.15Å; I81-F83 WeakPolarHBondContact O-CD2 3.49Å; I81-F83 PolarHBondContact O-N 3.12Å
82	D	87.9	Confident	89.4	Confident	91 Å²	91	50.4 Å²	50.4	49%	0.487	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	8.8	-174.5	-52.3	-44.6	0	0	0	115.1	Y80	Y80-D82 PolarHBondContact O-N 3.12Å
83	F	85.8	Confident	89.7	Confident	67 Å²	67	52 Å²	52	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-109.7	160.1	173.1	-69.1	-92.4	0	0	0	112.1	P60 Y80 I81 K85 L87	P60-F83 HydrophobicContact CB-CD2 4.21Å; P60-F83 HydrophobicContact CB-CE2 3.49Å; P60-F83 VanDerWaalsContact CB-CE2 3.49Å; P60-F83 HydrophobicContact CB-CZ 4.06Å; P60-F83 HydrophobicContact CG-CE2 4.38Å; Y80-F83 WeakPolarHBondContact O-CB 3.44Å; Y80-F83 PolarHBondContact O-N 2.69Å; I81-F83 WeakPolarHBondContact O-CD2 3.49Å; I81-F83 PolarHBondContact O-N 3.12Å; F83-K85 PolarHBondContact O-N 2.79Å; F83-L87 HydrophobicContact CB-CD1 4.24Å; F83-L87 HydrophobicContact CD1-CD1 4.1Å
84	N	84	Confident	90	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	24%	0.239	S	C	.	.			trans	-69.1	129.8	178.7	-172	-62.3	0	0	0	111.1	R86 L87	N84-R86 HydrophobicContact CB-CG 4.13Å; N84-R86 PolarHBondContact O-N 3.3Å; N84-R86 VanDerWaalsContact OD1-CB 3.29Å; N84-R86 WeakPolarHBondContact OD1-CB 3.37Å; N84-R86 WeakPolarHBondContact OD1-CD 3.27Å; N84-R86 WeakPolarHBondContact OD1-CG 3.5Å; N84-R86 PolarHBondContact OD1-N 3.23Å; N84-L87 WeakPolarHBondContact O-CB 3.4Å; N84-L87 PolarHBondContact O-N 2.99Å
85	K	85.6	Confident	90.1	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.078	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-52.8	-19.8	179.7	-67.7	-168.1	-174	163.6	0	115.3	F83 L87 D88 Y279 D358	F83-K85 PolarHBondContact O-N 2.79Å; K85-L87 PolarHBondContact O-N 2.93Å; K85-L87 VanDerWaalsContact O-N 3.11Å; K85-D88 WeakPolarHBondContact CA-OD1 3.44Å; K85-D88 VanDerWaalsContact O-CB 3.23Å; K85-D88 WeakPolarHBondContact O-CB 3.32Å; K85-D88 PolarHBondContact O-N 2.76Å; K85-Y279 HydrophobicContact CB-CD1 4.49Å; K85-Y279 HydrophobicContact CB-CE1 3.96Å; K85-Y279 HydrophobicContact CD-CD1 4.21Å; K85-Y279 HydrophobicContact CD-CE1 3.92Å; K85-Y279 HydrophobicContact CG-CE1 4.41Å; K85-D358 IonicContact NZ-OD1 2.77Å; K85-D358 IonicContact NZ-OD2 2.79Å; K85-D358 PolarHBondContact NZ-OD2 3.42Å
86	R	83.9	Confident	90.2	Very high	108 Å²	108	48.4 Å²	48.4	41%	0.408	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.3	-21	171.7	77.1	-169.3	-179.1	172.1	-0.4	113.6	N84 W278	N84-R86 HydrophobicContact CB-CG 4.13Å; N84-R86 PolarHBondContact O-N 3.3Å; N84-R86 VanDerWaalsContact OD1-CB 3.29Å; N84-R86 WeakPolarHBondContact OD1-CB 3.37Å; N84-R86 WeakPolarHBondContact OD1-CD 3.27Å; N84-R86 WeakPolarHBondContact OD1-CG 3.5Å; N84-R86 PolarHBondContact OD1-N 3.23Å; R86-W278 HydrophobicContact CB-CB 4.23Å; R86-W278 HydrophobicContact CB-CD2 4.21Å; R86-W278 HydrophobicContact CB-CG 3.78Å
87	L	87.8	Confident	90.1	Very high	58 Å²	58	50 Å²	50	30%	0.304	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-86.5	-9.9	178.1	-60.8	-179.2	0	0	0	112.6	Y80 F83 N84 K85 E89	Y80-L87 HydrophobicContact CD2-CB 4.24Å; Y80-L87 WeakPolarHBondContact CE2-O 3.45Å; F83-L87 HydrophobicContact CB-CD1 4.24Å; F83-L87 HydrophobicContact CD1-CD1 4.1Å; N84-L87 WeakPolarHBondContact O-CB 3.4Å; N84-L87 PolarHBondContact O-N 2.99Å; K85-L87 PolarHBondContact O-N 2.93Å; K85-L87 VanDerWaalsContact O-N 3.11Å; L87-E89 PolarHBondContact O-N 3.24Å
88	D	91.2	Very high	89.9	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.247	C	C	.	.			trans	-61.7	137.5	179.4	-62.4	-0.4	0	0	0	110.1	Y77 V78 H79 K85 K263	Y77-D88 HydrophobicContact CE1-CB 3.78Å; Y77-D88 WeakPolarHBondContact OH-CB 3.46Å; V78-D88 WeakPolarHBondContact O-CA 3.4Å; V78-D88 VanDerWaalsContact O-CB 3.31Å; V78-D88 WeakPolarHBondContact O-CB 3.21Å; H79-D88 WeakPolarHBondContact CA-OD1 3.4Å; H79-D88 IonicContact CE1-OD1 3.18Å; H79-D88 IonicContact CG-OD1 3.84Å; H79-D88 IonicContact CG-OD2 3.34Å; H79-D88 IonicContact ND1-OD1 3.29Å; H79-D88 PolarHBondContact ND1-OD1 3.04Å; H79-D88 IonicContact ND1-OD2 2.73Å; H79-D88 PolarHBondContact ND1-OD2 2.92Å; K85-D88 WeakPolarHBondContact CA-OD1 3.44Å; K85-D88 VanDerWaalsContact O-CB 3.23Å; K85-D88 WeakPolarHBondContact O-CB 3.32Å; K85-D88 PolarHBondContact O-N 2.76Å; D88-K263 PolarHBondContact O-NZ 3.16Å
89	E	91.8	Very high	89.7	Confident	58 Å²	58	61.6 Å²	61.6	27%	0.271	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165.7	-171.7	62.4	172	132.6	0	0	112.5	Y77 V78 Y80 L87 V91 R95	Y77-E89 WeakPolarHBondContact CA-O 3.46Å; V78-E89 HydrophobicContact CG2-CG 4.34Å; V78-E89 PolarHBondContact N-O 3.38Å; V78-E89 PolarHBondContact O-N 2.95Å; Y80-E89 HydrophobicContact CE2-CG 4.25Å; Y80-E89 PolarHBondContact OH-OE1 2.7Å; L87-E89 PolarHBondContact O-N 3.24Å; E89-V91 HydrophobicContact CG-CG1 3.8Å; E89-R95 VanDerWaalsContact CD-NH2 3.34Å; E89-R95 IonicContact OE1-CZ 3.93Å; E89-R95 IonicContact OE1-NH1 3.41Å; E89-R95 IonicContact OE1-NH2 3.78Å; E89-R95 PolarHBondContact OE1-NH2 2.48Å; E89-R95 IonicContact OE2-CZ 2.91Å; E89-R95 IonicContact OE2-NH1 2.84Å; E89-R95 PolarHBondContact OE2-NH1 2.91Å; E89-R95 IonicContact OE2-NH2 3.77Å
90	W	91.6	Very high	89.4	Confident	85 Å²	85	66.3 Å²	66.3	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.4	167.8	-70.9	100.4	0	0	0	109.4	K68 L75 F76 Y77	K68-W90 HydrophobicContact CB-CH2 4.25Å; K68-W90 HydrophobicContact CB-CZ3 4.21Å; K68-W90 HydrophobicContact CD-CD2 4.28Å; K68-W90 HydrophobicContact CD-CE3 4Å; K68-W90 HydrophobicContact CD-CH2 3.55Å; K68-W90 HydrophobicContact CD-CZ2 3.83Å; K68-W90 HydrophobicContact CD-CZ3 3.63Å; K68-W90 VanDerWaalsContact CE-CD2 3.49Å; K68-W90 HydrophobicContact CG-CE3 4.07Å; K68-W90 HydrophobicContact CG-CH2 3.85Å; K68-W90 HydrophobicContact CG-CZ3 3.54Å; K68-W90 VanDerWaalsContact NZ-CE2 3.29Å; L75-W90 HydrophobicContact CB-CE3 3.89Å; L75-W90 HydrophobicContact CB-CZ3 4.47Å; F76-W90 CarbonylContact O-C 3.54Å; F76-W90 WeakPolarHBondContact O-CA 3.47Å; Y77-W90 AromaticContact CD2-CD1 3.76Å; Y77-W90 AromaticContact CD2-CD2 3.8Å; Y77-W90 HydrophobicContact CD2-CD2 3.8Å; Y77-W90 AromaticContact CD2-CE2 3.54Å; Y77-W90 HydrophobicContact CD2-CE3 4.49Å; Y77-W90 AromaticContact CD2-CG 3.94Å; Y77-W90 HydrophobicContact CD2-CG 3.94Å; Y77-W90 HydrophobicContact CD2-CZ2 4.05Å; Y77-W90 AromaticContact CD2-NE1 3.51Å; Y77-W90 HydrophobicContact CG-CD2 4.36Å; Y77-W90 HydrophobicContact CG-CZ2 4.32Å; Y77-W90 VanDerWaalsContact N-CE3 3.29Å
91	V	93.1	Very high	89.3	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.3	177.3	-52.6	0	0	0	0	111.5	V48 L75 F76 V78 E89 R95 L96	V48-V91 HydrophobicContact CG1-CB 4.45Å; V48-V91 HydrophobicContact CG1-CG1 4.08Å; V48-V91 HydrophobicContact CG1-CG2 4.04Å; L75-V91 WeakPolarHBondContact CA-O 3.48Å; F76-V91 HydrophobicContact CB-CG2 4.08Å; F76-V91 PolarHBondContact N-O 2.75Å; F76-V91 PolarHBondContact O-N 3.17Å; V78-V91 HydrophobicContact CG1-CG2 3.65Å; V78-V91 HydrophobicContact CG2-CG1 3.85Å; V78-V91 HydrophobicContact CG2-CG2 4.44Å; E89-V91 HydrophobicContact CG-CG1 3.8Å; V91-R95 HydrophobicContact CB-CB 4.15Å; V91-L96 HydrophobicContact CG2-CD2 3.73Å; V91-L96 HydrophobicContact CG2-CG 4.49Å
92	T	92.4	Very high	89.4	Confident	59 Å²	59	72.1 Å²	72.1	36%	0.362	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	162.8	173	53.6	0	0	0	0	110.8	L75 E94 R95	L75-T92 HydrophobicContact CD2-CG2 3.78Å; T92-E94 PolarHBondContact O-N 2.8Å; T92-E94 VanDerWaalsContact O-N 3.13Å; T92-R95 PolarHBondContact O-N 3.01Å
93	H	90.8	Very high	89.4	Confident	99 Å²	99	72.3 Å²	72.3	46%	0.458	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-52.4	-33.4	176.5	-173.9	-81.7	0	0	0	113.7	F76 R95 L96	F76-H93 HydrophobicContact CE2-CB 4.17Å; H93-R95 PolarHBondContact O-N 3.07Å; H93-L96 WeakPolarHBondContact O-CB 3.49Å; H93-L96 PolarHBondContact O-N 3.33Å
94	E	90.9	Very high	89.3	Confident	170 Å²	170	72 Å²	72	79%	0.794	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64.5	-21.6	-179.8	-64.5	166.6	-156.7	0	0	113.7	T92 L96	T92-E94 PolarHBondContact O-N 2.8Å; T92-E94 VanDerWaalsContact O-N 3.13Å; E94-L96 VanDerWaalsContact C-N 3.33Å
95	R	92.9	Very high	89	Confident	56 Å²	56	78 Å²	78	21%	0.211	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-88.9	3.5	179.5	-67.8	179.2	62.3	-174.2	-2.8	112.9	V48 L49 W59 Y80 E89 V91 T92 H93	V48-R95 CarbonylContact C-O 3.42Å; V48-R95 VanDerWaalsContact CA-O 3.31Å; V48-R95 WeakPolarHBondContact CA-O 3.39Å; V48-R95 HydrophobicContact CG1-CB 4.45Å; L49-R95 HydrophobicContact CB-CB 4.06Å; L49-R95 HydrophobicContact CB-CG 4.29Å; L49-R95 HydrophobicContact CD2-CG 4.46Å; L49-R95 PolarHBondContact N-O 2.89Å; L49-R95 VanDerWaalsContact O-CZ 3.25Å; L49-R95 PolarHBondContact O-NE 3.24Å; L49-R95 PolarHBondContact O-NH2 3.24Å; W59-R95 WeakPolarHBondContact CZ3-O 3.47Å; Y80-R95 PolarHBondContact OH-NH2 3.32Å; E89-R95 VanDerWaalsContact CD-NH2 3.34Å; E89-R95 IonicContact OE1-CZ 3.93Å; E89-R95 IonicContact OE1-NH1 3.41Å; E89-R95 IonicContact OE1-NH2 3.78Å; E89-R95 PolarHBondContact OE1-NH2 2.48Å; E89-R95 IonicContact OE2-CZ 2.91Å; E89-R95 IonicContact OE2-NH1 2.84Å; E89-R95 PolarHBondContact OE2-NH1 2.91Å; E89-R95 IonicContact OE2-NH2 3.77Å; V91-R95 HydrophobicContact CB-CB 4.15Å; T92-R95 PolarHBondContact O-N 3.01Å; H93-R95 PolarHBondContact O-N 3.07Å
96	L	93	Very high	87.5	Confident	13 Å²	13	87 Å²	87	7%	0.068	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-106.5	124.4	-173.9	-57.7	-175.3	0	0	0	111.5	I40 L46 V48 I64 F76 V91 H93 E94 L98	I40-L96 HydrophobicContact CD1-CD1 3.59Å; L46-L96 HydrophobicContact CD1-CB 3.84Å; L46-L96 HydrophobicContact CD1-CD1 4.44Å; L46-L96 HydrophobicContact CD1-CD2 4.33Å; L46-L96 HydrophobicContact CD1-CG 4.43Å; V48-L96 HydrophobicContact CB-CD2 4.35Å; V48-L96 HydrophobicContact CG1-CD2 4.06Å; V48-L96 HydrophobicContact CG2-CD2 3.52Å; I64-L96 HydrophobicContact CD1-CD2 4.4Å; F76-L96 HydrophobicContact CB-CD1 4.46Å; F76-L96 HydrophobicContact CD1-CD1 4.23Å; F76-L96 HydrophobicContact CD2-CD1 3.55Å; F76-L96 HydrophobicContact CE1-CD1 4.44Å; F76-L96 HydrophobicContact CE2-CD1 3.76Å; F76-L96 HydrophobicContact CG-CD1 3.81Å; F76-L96 HydrophobicContact CZ-CD1 4.21Å; V91-L96 HydrophobicContact CG2-CD2 3.73Å; V91-L96 HydrophobicContact CG2-CG 4.49Å; H93-L96 WeakPolarHBondContact O-CB 3.49Å; H93-L96 PolarHBondContact O-N 3.33Å; E94-L96 VanDerWaalsContact C-N 3.33Å; L96-L98 HydrophobicContact CB-CD2 3.87Å; L96-L98 PolarHBondContact O-N 3.23Å
97	D	91.1	Very high	85.5	Confident	35 Å²	35	90.5 Å²	90.5	19%	0.187	42%	0.419	C	S	.	.			trans	-84.8	87.4	171.7	-175.1	6.4	0	0	0	110.5	P47 W59 K99 K100	P47-D97 HydrophobicContact CB-CB 4.02Å; P47-D97 HydrophobicContact CG-CB 4.3Å; P47-D97 PolarHBondContact O-N 3.08Å; W59-D97 HydrophobicContact CE3-CB 3.99Å; W59-D97 HydrophobicContact CZ3-CB 3.85Å; D97-K99 PolarHBondContact O-N 3.22Å; D97-K99 WeakPolarHBondContact OD1-CB 3.44Å; D97-K99 PolarHBondContact OD1-N 3.09Å; D97-K100 PolarHBondContact O-N 2.71Å
98	L	89.4	Confident	83.1	Confident	49 Å²	49	91.7 Å²	91.7	26%	0.257	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-66.5	-15.2	-178.3	-53.7	-175.1	0	0	0	113.8	I40 L46 L96 K100 I101	I40-L98 HydrophobicContact CD1-CD2 3.4Å; I40-L98 VanDerWaalsContact CD1-CD2 3.4Å; I40-L98 HydrophobicContact CG1-CD2 4.04Å; L46-L98 HydrophobicContact CD1-CD2 3.83Å; L96-L98 HydrophobicContact CB-CD2 3.87Å; L96-L98 PolarHBondContact O-N 3.23Å; L98-K100 PolarHBondContact O-N 2.94Å; L98-I101 WeakPolarHBondContact O-CG2 3.38Å
99	K	87.3	Confident	80.6	Confident	195 Å²	195	101.7 Å²	101.7	85%	0.848	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-68.1	-23.6	179.4	-62.2	175.4	179.8	175.3	0	112	D97	D97-K99 PolarHBondContact O-N 3.22Å; D97-K99 WeakPolarHBondContact OD1-CB 3.44Å; D97-K99 PolarHBondContact OD1-N 3.09Å
100	K	86.5	Confident	77.6	Confident	131 Å²	131	105 Å²	105	57%	0.57	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-116	24	-175.3	-66.5	176	-179.4	168.5	0	112.5	P47 D97 L98 Q102	P47-K100 HydrophobicContact CG-CB 3.98Å; P47-K100 HydrophobicContact CG-CD 3.93Å; D97-K100 PolarHBondContact O-N 2.71Å; L98-K100 PolarHBondContact O-N 2.94Å; K100-Q102 PolarHBondContact O-N 3.47Å
101	I	91.1	Very high	74.7	Confident	42 Å²	42	106.4 Å²	106.4	22%	0.215	53%	0.525	C	S	.	.			trans	-66.5	130.5	179.6	-166.5	167.3	0	0	0	111.6	I40 C44 L46 L98 F103	I40-I101 HydrophobicContact CG1-CD1 4.21Å; C44-I101 HydrophobicContact CB-CD1 4.13Å; C44-I101 HydrophobicContact CB-CG1 4.2Å; L46-I101 HydrophobicContact CB-CB 4.37Å; L46-I101 HydrophobicContact CB-CG1 4.42Å; L46-I101 HydrophobicContact CD1-CD1 4.42Å; L46-I101 HydrophobicContact CD1-CG1 4.46Å; L98-I101 WeakPolarHBondContact O-CG2 3.38Å; I101-F103 HydrophobicContact CD1-CE1 4.07Å; I101-F103 HydrophobicContact CD1-CE2 4.34Å; I101-F103 HydrophobicContact CD1-CZ 3.82Å; I101-F103 HydrophobicContact CG1-CE2 4.28Å; I101-F103 HydrophobicContact CG1-CZ 4.24Å; I101-F103 HydrophobicContact CG2-CD2 4.48Å; I101-F103 HydrophobicContact CG2-CE2 3.71Å; I101-F103 HydrophobicContact CG2-CZ 4.11Å
102	Q	90.3	Very high	72	Confident	108 Å²	108	113.1 Å²	113.1	51%	0.505	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-113	116.4	174.3	-56.9	175.2	26.1	0	0	107.4	C44 R45 K100	C44-Q102 CarbonylContact C-O 3.56Å; C44-Q102 WeakPolarHBondContact CA-O 3.17Å; R45-Q102 HydrophobicContact CB-CB 4.23Å; R45-Q102 PolarHBondContact N-O 3.45Å; R45-Q102 WeakPolarHBondContact O-CB 3.37Å; R45-Q102 PolarHBondContact O-N 3.08Å; K100-Q102 PolarHBondContact O-N 3.47Å
103	F	87.4	Confident	69	Low	95 Å²	95	119.9 Å²	119.9	42%	0.417	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-79.9	149.3	177.3	-68.8	-85.7	0	0	0	110.8	I41 C44 I101 K105	I41-F103 HydrophobicContact CD1-CD1 4.34Å; I41-F103 HydrophobicContact CG1-CD1 4.19Å; C44-F103 WeakPolarHBondContact SG-CD1 3.35Å; I101-F103 HydrophobicContact CD1-CE1 4.07Å; I101-F103 HydrophobicContact CD1-CE2 4.34Å; I101-F103 HydrophobicContact CD1-CZ 3.82Å; I101-F103 HydrophobicContact CG1-CE2 4.28Å; I101-F103 HydrophobicContact CG1-CZ 4.24Å; I101-F103 HydrophobicContact CG2-CD2 4.48Å; I101-F103 HydrophobicContact CG2-CE2 3.71Å; I101-F103 HydrophobicContact CG2-CZ 4.11Å; F103-K105 PolarHBondContact O-N 3.02Å
104	P	83.5	Confident	66.2	Low	61 Å²	61	122.6 Å²	122.6	40%	0.396	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-54.2	128.2	172.4	-14	21.3	0	0	0	109.7	I41 K106	I41-P104 HydrophobicContact CD1-CG 4.39Å; P104-K106 PolarHBondContact O-N 3.21Å
105	K	77.6	Confident	63.2	Low	192 Å²	192	118.1 Å²	118.1	84%	0.835	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-70.2	117.8	170.6	-67.7	-178.8	-178.9	176.7	0	107.4	F103 E107	F103-K105 PolarHBondContact O-N 3.02Å; K105-E107 PolarHBondContact O-N 2.99Å
106	K	53.9	Low	60.3	Low	207 Å²	207	123.7 Å²	123.7	90%	0.9	64%	0.641	S	S	*	*			trans	-66.3	99.7	162.6	-73.9	-177.4	179	178.5	0	106.6	P104 A108	P104-K106 PolarHBondContact O-N 3.21Å; K106-A108 PolarHBondContact O-N 3.16Å
107	E	41.9	Very low	57.8	Low	182 Å²	182	129.1 Å²	129.1	85%	0.85	68%	0.677	S	S	*	*			trans	-65.8	104.3	171.9	-67.8	-162.5	168.8	0	0	108.5	K105 K109	K105-E107 PolarHBondContact O-N 2.99Å; E107-K109 PolarHBondContact O-N 3.2Å
108	A	37.5	Very low	54.7	Low	84 Å²	84	130.8 Å²	130.8	69%	0.694	70%	0.702	S	S	*	*			trans	-63.9	129.6	163.2	0	0	0	0	0	107.6	K106 T110	K106-A108 PolarHBondContact O-N 3.16Å; A108-T110 PolarHBondContact O-N 3.08Å
109	K	38.1	Very low	51.9	Low	213 Å²	213	134.5 Å²	134.5	93%	0.926	73%	0.732	S	S	*	*			trans	-55.8	119.9	170.8	-65.3	178.1	179.2	179.5	0	108.7	E107	E107-K109 PolarHBondContact O-N 3.2Å
110	T	30.1	Very low	49.2	Very low	128 Å²	128	136.8 Å²	136.8	79%	0.785	74%	0.736	S	S	*	*			trans	-136.8	140.8	160.9	9.9	0	0	0	0	110.9	A108	A108-T110 PolarHBondContact O-N 3.08Å
111	P	30.7	Very low	46.6	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	75%	0.747	S	S	*	*			trans	-80.5	156.4	-163.1	33.4	-33	0	0	0	112.2	K113	P111-K113 PolarHBondContact O-N 2.88Å
112	T	35	Very low	43.6	Very low	142 Å²	142	137.8 Å²	137.8	87%	0.871	77%	0.771	S	S	*	*			trans	-48.5	126.9	172.6	5.5	0	0	0	0	112
113	K	29.7	Very low	40.7	Very low	201 Å²	201	138.4 Å²	138.4	87%	0.874	79%	0.787	S	S	*	*			trans	-142.9	120	156.9	-156.2	176.9	-177.6	-179.4	0	110.8	P111	P111-K113 PolarHBondContact O-N 2.88Å
114	N	32.2	Very low	38.2	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	81%	0.805	S	S	*	*			trans	-58.5	144.8	170.6	-68.8	-17.7	0	0	0	111.4
115	G	28.6	Very low	35.6	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	83%	0.83	S	S	*	*			trans	168.5	93.6	167.5	0	0	0	0	0	113.1
116	L	31.1	Very low	33.4	Very low	173 Å²	173	148.4 Å²	148.4	91%	0.906	83%	0.833	S	S	*	*			trans	-71	169.5	151.2	-82.2	154.5	0	0	0	109.1
117	P	41.3	Very low	32.2	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	83%	0.832	S	S	*	*			cis	-132.1	176	3.6	31.5	-10	0	0	0	114.1
118	G	25.7	Very low	31.7	Very low	69 Å²	69	145.2 Å²	145.2	71%	0.711	83%	0.83	S	S	*	*			trans	166.6	90	165.8	0	0	0	0	0	116
119	S	30.3	Very low	31.5	Very low	127 Å²	127	147 Å²	147	89%	0.888	84%	0.835	S	S	*	*			trans	13.8	120.2	148.5	-36.8	0	0	0	0	119.2
120	R	30.8	Very low	31	Very low	243 Å²	243	141.2 Å²	141.2	92%	0.917	83%	0.827	S	S	*	*			trans	-108	144.4	161.1	-105	-175.9	178.8	179.4	-0	111.3
121	P	32.7	Very low	31.1	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	83%	0.828	S	S	*	*			trans	-81.7	150	178.1	17.4	-2.6	0	0	0	111.7
122	G	26.9	Very low	31	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	83%	0.834	S	S	*	*			trans	-84	159.9	175.6	0	0	0	0	0	113.1
123	S	29.3	Very low	30.8	Very low	122 Å²	122	142.9 Å²	142.9	85%	0.853	84%	0.837	S	S	*	*			trans	179.2	157.9	162	-83.6	0	0	0	0	109
124	P	35.8	Very low	30.7	Very low	121 Å²	121	138 Å²	138	79%	0.786	83%	0.834	S	S	*	*				-122.7	166.4	-56.1	24.5	-4.2	0	0	0	111.7
125	E	28.6	Very low	30.6	Very low	196 Å²	196	136.4 Å²	136.4	92%	0.916	84%	0.835	S	S	*	*			trans	-63.9	142.1	175.2	-67	174.1	140	0	0	111.8
126	R	30.9	Very low	31.2	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	84%	0.836	S	S	*	*			trans	-107.4	114.1	175.1	-165.2	174.1	-173.4	177.1	1.7	108.8
127	E	27.8	Very low	31.2	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-63.5	144.8	175.5	-66.8	179.8	150.7	0	0	112.3
128	V	31.7	Very low	30.8	Very low	135 Å²	135	138.4 Å²	138.4	82%	0.818	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95.9	130.5	173.8	-177.5	0	0	0	0	108.3
129	P	33.4	Very low	31.1	Very low	123 Å²	123	142.5 Å²	142.5	80%	0.799	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.8	168	28	-21.7	0	0	0	111.8
130	A	29	Very low	31.9	Very low	90 Å²	90	140.2 Å²	140.2	74%	0.744	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.5	147.4	-174.2	0	0	0	0	0	114.5
131	S	30.9	Very low	33.1	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	82%	0.818	S	S	*	*			trans	41.9	124.5	144.7	69.4	0	0	0	0	121.5
132	A	28.8	Very low	34.5	Very low	106 Å²	106	133.1 Å²	133.1	88%	0.876	80%	0.799	S	S	*	*			trans	-125.4	130.1	142.2	0	0	0	0	0	109
133	Q	31	Very low	36.8	Very low	198 Å²	198	133.6 Å²	133.6	93%	0.925	79%	0.788	S	S	*	*			trans	-78	141.2	176.5	-70.2	177	-18.6	0	0	111
134	A	28.1	Very low	39	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	76%	0.761	S	S	*	*			trans	-157.2	116.7	149.5	0	0	0	0	0	112.6
135	S	30	Very low	41.1	Very low	123 Å²	123	125 Å²	125	86%	0.86	72%	0.723	S	S	*	*			trans	50.9	118.7	143.2	-141.3	0	0	0	0	120.9	K137	S135-K137 PolarHBondContact O-N 3.49Å
136	G	40.2	Very low	43.5	Very low	78 Å²	78	116.4 Å²	116.4	80%	0.804	69%	0.685	S	S	*	*			trans	-63	128.6	177.6	0	0	0	0	0	113.7
137	K	31.3	Very low	45.8	Very low	190 Å²	190	105.2 Å²	105.2	83%	0.826	64%	0.643	S	S	*	*			trans	-125.8	134.9	149.5	-70.6	-179.1	179.3	177.3	0	106.6	S135 L139	S135-K137 PolarHBondContact O-N 3.49Å; K137-L139 PolarHBondContact O-N 3.02Å; K137-L139 VanDerWaalsContact O-N 3.13Å
138	T	34.4	Very low	48.2	Very low	149 Å²	149	103.1 Å²	103.1	91%	0.914	63%	0.627	S	S	*	*			trans	-54.8	115.5	177.1	-32.9	0	0	0	0	108.9
139	L	31.2	Very low	49.8	Very low	156 Å²	156	101.6 Å²	101.6	82%	0.817	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-70.7	130.6	-175.4	-68.9	165.7	0	0	0	110.2	K137	K137-L139 PolarHBondContact O-N 3.02Å; K137-L139 VanDerWaalsContact O-N 3.13Å
140	P	46.5	Very low	50.4	Low	79 Å²	79	101.3 Å²	101.3	51%	0.513	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-64.8	146.2	166.4	-10.2	25	0	0	0	109.9
141	I	56.6	Low	50.8	Low	156 Å²	156	103.7 Å²	103.7	80%	0.8	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69.3	130.2	178.8	-61.3	167.4	0	0	0	108.3
142	P	62.6	Low	51	Low	63 Å²	63	103.6 Å²	103.6	41%	0.409	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-60.2	142.1	177.1	24.4	-33.6	0	0	0	111	Q144 T508	P142-Q144 PolarHBondContact O-N 3.43Å; P142-Q144 VanDerWaalsContact O-N 3.15Å; P142-T508 HydrophobicContact CB-CG2 4.24Å
143	V	74.3	Confident	51.1	Low	79 Å²	79	108.1 Å²	108.1	48%	0.479	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.1	112.3	178.3	-177.9	0	0	0	0	108.3	I145 L509	V143-I145 HydrophobicContact CG1-CG1 4.4Å; V143-L509 HydrophobicContact CB-CB 4.36Å; V143-L509 PolarHBondContact N-O 2.93Å; V143-L509 PolarHBondContact O-N 2.78Å
144	Q	76.9	Confident	51.2	Low	60 Å²	60	107.5 Å²	107.5	28%	0.28	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	121.5	176.8	-67.6	-169.9	-26.5	0	0	110.1	P142 R469	P142-Q144 PolarHBondContact O-N 3.43Å; P142-Q144 VanDerWaalsContact O-N 3.15Å; Q144-R469 VanDerWaalsContact OE1-NH2 3.08Å
145	I	79.2	Confident	51.5	Low	1 Å²	1	114.1 Å²	114.1	1%	0.005	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	131.3	175.6	-60.9	159.6	0	0	0	107.6	V143 L459 L462 P470 I472 I506 L507 L509	V143-I145 HydrophobicContact CG1-CG1 4.4Å; I145-L459 HydrophobicContact CD1-CB 3.88Å; I145-L459 HydrophobicContact CD1-CD2 4.12Å; I145-L459 HydrophobicContact CD1-CG 4.49Å; I145-L462 HydrophobicContact CD1-CD1 4.29Å; I145-L462 HydrophobicContact CG2-CD1 4Å; I145-P470 CarbonylContact C-O 3.58Å; I145-P470 WeakPolarHBondContact CA-O 3.39Å; I145-P470 HydrophobicContact CB-CG 4.46Å; I145-P470 HydrophobicContact CG1-CB 4.43Å; I145-P470 HydrophobicContact CG1-CG 3.82Å; I145-P470 WeakPolarHBondContact CG2-O 3.28Å; I145-I472 HydrophobicContact CG2-CG2 3.84Å; I145-I506 CarbonylContact O-C 3.58Å; I145-I506 WeakPolarHBondContact O-CA 3.42Å; I145-L507 HydrophobicContact CB-CB 4.12Å; I145-L507 PolarHBondContact N-O 3Å; I145-L507 PolarHBondContact O-N 2.96Å; I145-L509 HydrophobicContact CD1-CD1 3.67Å; I145-L509 HydrophobicContact CD1-CG 4.31Å
146	T	79.4	Confident	51.7	Low	17 Å²	17	117.2 Å²	117.2	10%	0.104	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	126.9	177.5	-58	0	0	0	0	109.9	P470 Q471 I472	T146-P470 PolarHBondContact N-O 3.26Å; T146-Q471 WeakPolarHBondContact O-CA 3.23Å; T146-I472 PolarHBondContact O-N 3.26Å; T146-I472 VanDerWaalsContact O-N 3.16Å
147	L	79.1	Confident	51.3	Low	6 Å²	6	118.1 Å²	118.1	3%	0.031	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	109	175.9	-164.5	127.9	0	0	0	109.8	F149 I472 I474 Y505 L507	L147-F149 HydrophobicContact CD2-CD2 4.06Å; L147-F149 HydrophobicContact CD2-CE1 3.94Å; L147-F149 HydrophobicContact CD2-CE2 3.36Å; L147-F149 HydrophobicContact CD2-CZ 3.3Å; L147-I472 WeakPolarHBondContact CA-O 3.49Å; L147-I474 HydrophobicContact CD1-CD1 3.83Å; L147-I474 HydrophobicContact CD1-CG1 4.31Å; L147-I474 HydrophobicContact CD2-CG1 4.21Å; L147-Y505 WeakPolarHBondContact CA-O 3.21Å; L147-Y505 VanDerWaalsContact CB-O 3.3Å; L147-Y505 WeakPolarHBondContact CB-O 3.41Å; L147-Y505 PolarHBondContact N-O 2.81Å; L147-Y505 VanDerWaalsContact N-O 3.08Å; L147-L507 HydrophobicContact CB-CG 4.35Å; L147-L507 HydrophobicContact CD1-CD1 3.73Å; L147-L507 HydrophobicContact CD1-CD2 3.73Å; L147-L507 HydrophobicContact CD1-CG 3.59Å
148	R	78.3	Confident	51.5	Low	141 Å²	141	116.8 Å²	116.8	53%	0.532	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	132.8	176.2	-73.7	-175.7	-179.3	168.6	6.3	109.6	I472 T473	R148-I472 PolarHBondContact N-O 2.84Å; R148-T473 HydrophobicContact CB-CG2 3.65Å; R148-T473 WeakPolarHBondContact O-CG2 3.4Å
149	F	64.2	Low	51.7	Low	103 Å²	103	115.6 Å²	115.6	45%	0.452	59%	0.594	S	S	.	*			trans	-96.5	130.8	164.6	-66.4	-95.6	0	0	0	108.4	L147 L151 Y505	L147-F149 HydrophobicContact CD2-CD2 4.06Å; L147-F149 HydrophobicContact CD2-CE1 3.94Å; L147-F149 HydrophobicContact CD2-CE2 3.36Å; L147-F149 HydrophobicContact CD2-CZ 3.3Å; F149-L151 HydrophobicContact CB-CD1 3.91Å; F149-L151 PolarHBondContact O-N 2.93Å; F149-Y505 HydrophobicContact CD2-CD2 4.12Å; F149-Y505 HydrophobicContact CE1-CD2 4.34Å; F149-Y505 AromaticContact CE2-CD2 3.07Å; F149-Y505 HydrophobicContact CE2-CD2 3.07Å; F149-Y505 AromaticContact CE2-CE2 3.97Å; F149-Y505 HydrophobicContact CE2-CE2 3.97Å; F149-Y505 AromaticContact CE2-CG 3.56Å; F149-Y505 HydrophobicContact CE2-CG 3.56Å; F149-Y505 HydrophobicContact CZ-CD1 4.42Å; F149-Y505 AromaticContact CZ-CD2 3.2Å; F149-Y505 HydrophobicContact CZ-CD2 3.2Å; F149-Y505 AromaticContact CZ-CE2 3.78Å; F149-Y505 HydrophobicContact CZ-CE2 3.78Å; F149-Y505 AromaticContact CZ-CG 3.54Å; F149-Y505 HydrophobicContact CZ-CG 3.54Å
150	N	45.5	Very low	51.7	Low	118 Å²	118	112.2 Å²	112.2	63%	0.631	60%	0.597	S	S	*	*			trans	-72.7	81	161	-72.8	-8.5	0	0	0	107.2	N475	N150-N475 PolarHBondContact ND2-ND2 3.18Å; N150-N475 VanDerWaalsContact ND2-ND2 3.2Å
151	L	37.3	Very low	50.8	Low	139 Å²	139	112.4 Å²	112.4	73%	0.728	61%	0.613	S	S	*	*			trans	-67.1	132.6	160.2	-107	79.2	0	0	0	107.2	F149 K153	F149-L151 HydrophobicContact CB-CD1 3.91Å; F149-L151 PolarHBondContact O-N 2.93Å; L151-K153 PolarHBondContact O-N 2.83Å; L151-K153 VanDerWaalsContact O-N 3.16Å
152	P	35.2	Very low	49.7	Very low	114 Å²	114	113.9 Å²	113.9	74%	0.74	62%	0.617	S	S	*	*			trans	-54.8	123.9	160.1	-14	27	0	0	0	106.7	E154	P152-E154 PolarHBondContact O-N 3.41Å
153	K	32.2	Very low	48.8	Very low	202 Å²	202	115.5 Å²	115.5	88%	0.878	63%	0.627	S	S	*	*			trans	-60.5	104.2	168	-84.8	-177.8	173.4	-179	0	107	L151 R155	L151-K153 PolarHBondContact O-N 2.83Å; L151-K153 VanDerWaalsContact O-N 3.16Å; K153-R155 PolarHBondContact O-N 2.84Å; K153-R155 VanDerWaalsContact O-N 3.16Å
154	E	33	Very low	46.7	Very low	184 Å²	184	119.8 Å²	119.8	86%	0.86	65%	0.647	S	S	*	*			trans	-57	119.7	156.5	-77.6	-171.6	156.3	0	0	106.4	P152 E156	P152-E154 PolarHBondContact O-N 3.41Å; E154-E156 PolarHBondContact O-N 3.42Å; E154-E156 VanDerWaalsContact O-N 3.14Å
155	R	35	Very low	44.4	Very low	238 Å²	238	125.5 Å²	125.5	90%	0.898	67%	0.674	S	S	*	*			trans	-67.5	110.4	170.9	-74.4	178.7	175.3	-175.2	-2.2	106.1	K153 A157	K153-R155 PolarHBondContact O-N 2.84Å; K153-R155 VanDerWaalsContact O-N 3.16Å; R155-A157 PolarHBondContact O-N 3.42Å
156	E	33.4	Very low	42.8	Very low	188 Å²	188	130.1 Å²	130.1	88%	0.879	70%	0.704	S	S	*	*			trans	-56.3	113.5	163	-76.1	-179.1	149.6	0	0	108.1	E154 I158	E154-E156 PolarHBondContact O-N 3.42Å; E154-E156 VanDerWaalsContact O-N 3.14Å; E156-I158 PolarHBondContact O-N 2.8Å
157	A	32.8	Very low	40.3	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-75.1	118.2	174	0	0	0	0	0	108.7	R155	R155-A157 PolarHBondContact O-N 3.42Å
158	I	34.7	Very low	37.9	Very low	163 Å²	163	140.9 Å²	140.9	84%	0.836	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-82.1	128.5	162.8	-59	170.5	0	0	0	106.8	E156	E156-I158 PolarHBondContact O-N 2.8Å
159	P	39.3	Very low	35.4	Very low	124 Å²	124	139.1 Å²	139.1	81%	0.805	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-89.6	137.5	-177.8	31.1	-26	0	0	0	112.1
160	G	31.3	Very low	33.7	Very low	84 Å²	84	139.1 Å²	139.1	87%	0.866	79%	0.79	S	S	*	*			trans	127.9	117.3	150.3	0	0	0	0	0	116.5
161	G	27.4	Very low	32.8	Very low	83 Å²	83	138.2 Å²	138.2	86%	0.856	79%	0.792	S	S	*	*			trans	143.1	97.6	161.8	0	0	0	0	0	113.8
162	E	32.6	Very low	32.3	Very low	188 Å²	188	137.2 Å²	137.2	88%	0.879	80%	0.796	S	S	*	*			trans	-86.7	-173.4	-171.3	-135.7	-159.9	-179.8	0	0	113.3
163	P	44.6	Very low	31.9	Very low	96 Å²	96	140 Å²	140	62%	0.623	80%	0.803	S	S	*	*				-110	167.5	-116.4	38.6	-22.1	0	0	0	114.1
164	D	29.2	Very low	31.8	Very low	170 Å²	170	137.9 Å²	137.9	91%	0.909	80%	0.796	S	S	*	*			trans	-158.3	132.7	148	-99.5	-26.7	0	0	0	112.3
165	Q	29.2	Very low	31.8	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	80%	0.796	S	S	*	*			trans	-142.7	168.3	165.8	-111.7	-164.6	21.3	0	0	105.6
166	P	44.9	Very low	31.4	Very low	97 Å²	97	130.2 Å²	130.2	63%	0.63	79%	0.786	S	S	*	*			cis	-135.5	179.8	-8.8	27.7	-4.7	0	0	0	112.2
167	L	27.3	Very low	31.3	Very low	156 Å²	156	130.9 Å²	130.9	82%	0.817	79%	0.789	S	S	*	*				169.6	135.6	124.8	-88.4	164.7	0	0	0	114.4
168	S	28.1	Very low	31	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	79%	0.791	S	S	*	*			trans	67.5	109.4	136.6	73.3	0	0	0	0	122.4
169	S	26.3	Very low	30.6	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	78%	0.781	S	S	*	*				54.3	132.1	119.9	70.2	0	0	0	0	122
170	S	28.4	Very low	30	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	79%	0.786	S	S	*	*				120.6	124.6	121.9	72.6	0	0	0	0	117.7
171	S	27.1	Very low	29.8	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	79%	0.787	S	S	*	*			trans	62.5	117.9	138.2	45.9	0	0	0	0	121.5
172	C	25.9	Very low	29.8	Very low	118 Å²	118	148.4 Å²	148.4	80%	0.797	79%	0.792	S	S	*	*				44.4	122.2	120.3	-53.1	0	0	0	0	118.2
173	L	27.2	Very low	29.4	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	78%	0.784	S	S	*	*				-172.7	123.7	123.6	-95.5	161.8	0	0	0	109.7
174	Q	29.9	Very low	28.5	Very low	157 Å²	157	149.3 Å²	149.3	73%	0.734	80%	0.795	S	S	*	*			trans	-73.6	165.4	154.1	-73.3	-174.3	-24.6	0	0	109.1
175	P	33.1	Very low	28.2	Very low	130 Å²	130	147.6 Å²	147.6	84%	0.844	78%	0.781	S	S	*	*				-135.3	144	113.1	20.2	-1.1	0	0	0	114.9
176	N	27.4	Very low	28.1	Very low	131 Å²	131	145.5 Å²	145.5	70%	0.701	78%	0.78	S	S	*	*			trans	-53.9	147.8	167.4	-79.4	-47.1	0	0	0	113.7
177	H	30.1	Very low	27.1	Very low	202 Å²	202	146.8 Å²	146.8	94%	0.935	79%	0.786	S	S	*	*			trans	-139.7	145.2	134.6	-118.3	-85.2	0	0	0	112.1
178	R	26.5	Very low	27.1	Very low	222 Å²	222	144.4 Å²	144.4	84%	0.838	78%	0.783	S	S	*	*			trans	-107.5	134.3	-150.5	-168.9	-165.9	170.8	173.4	-3.3	111.5
179	S	26.4	Very low	27.4	Very low	90 Å²	90	146.5 Å²	146.5	63%	0.629	79%	0.794	S	S	*	*			trans	49.6	132.8	144.8	68.9	0	0	0	0	122.8
180	T	27.8	Very low	27.4	Very low	147 Å²	147	146.3 Å²	146.3	90%	0.902	80%	0.799	S	S	*	*				-159.8	140	113.4	20.1	0	0	0	0	111.4
181	K	26.8	Very low	27.4	Very low	205 Å²	205	147 Å²	147	89%	0.891	80%	0.799	S	S	*	*			trans	-86.6	148.6	-179.5	-67.1	175	173	177.9	0	110.9
182	R	26.9	Very low	27.7	Very low	255 Å²	255	148.5 Å²	148.5	96%	0.962	81%	0.806	S	S	*	*			trans	-144.2	134.1	140.3	-96.6	-175.8	-177.1	178.9	0.4	111
183	K	24.4	Very low	27.9	Very low	162 Å²	162	148.4 Å²	148.4	70%	0.704	80%	0.802	S	S	*	*			trans	-101.4	141.4	-179.9	-179.6	-167.6	-173.8	-144.6	0	107.3	E185	K183-E185 IonicContact NZ-OE2 2.72Å; K183-E185 PolarHBondContact NZ-OE2 2.89Å
184	V	25.9	Very low	28.5	Very low	142 Å²	142	145.7 Å²	145.7	86%	0.861	79%	0.794	S	S	*	*			trans	-135.8	129.8	160.4	178.6	0	0	0	0	109.1
185	E	22.8	Very low	28.3	Very low	133 Å²	133	143 Å²	143	62%	0.621	79%	0.793	S	S	*	*			trans	-99.9	145.8	178.7	-114.4	162.7	125.8	0	0	109.9	K183	K183-E185 IonicContact NZ-OE2 2.72Å; K183-E185 PolarHBondContact NZ-OE2 2.89Å
186	V	26	Very low	28	Very low	136 Å²	136	145 Å²	145	82%	0.824	79%	0.791	S	S	*	*			trans	-157.7	102.9	150.8	-173.3	0	0	0	0	106.1
187	V	25.3	Very low	27.9	Very low	124 Å²	124	145.3 Å²	145.3	75%	0.752	80%	0.798	S	S	*	*				69.2	114.6	72.4	-172.7	0	0	0	0	115.1
188	S	26.8	Very low	27.8	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	79%	0.79	S	S	*	*			trans	-84.7	170.6	165.5	-49	0	0	0	0	112.3
189	P	34.6	Very low	28	Very low	136 Å²	136	136 Å²	136	88%	0.883	79%	0.792	S	S	*	*			trans	-137.1	172.6	139	30.2	-10.6	0	0	0	115.1
190	A	25.9	Very low	28	Very low	102 Å²	102	135.9 Å²	135.9	84%	0.843	80%	0.796	S	S	*	*			trans	-100.4	177.9	-147.9	0	0	0	0	0	117.6
191	T	29.5	Very low	27.9	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.724	79%	0.789	S	S	*	*			trans	-59.2	175.3	177.3	-19.5	0	0	0	0	116.7	V193	T191-V193 HydrophobicContact CG2-CG2 4.4Å
192	P	32.8	Very low	27.9	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	79%	0.788	S	S	*	*				-142.4	162.6	101.5	34.9	-17.7	0	0	0	117.1
193	V	30.8	Very low	27.9	Very low	116 Å²	116	127.5 Å²	127.5	70%	0.703	78%	0.78	S	S	*	*			trans	-99.4	171.3	176.9	-157	0	0	0	0	110	T191	T191-V193 HydrophobicContact CG2-CG2 4.4Å
194	P	37.9	Very low	28.2	Very low	116 Å²	116	125.7 Å²	125.7	75%	0.753	79%	0.785	S	S	*	*				-143.2	135.9	100.2	29.5	-10	0	0	0	114.3
195	S	26.9	Very low	28.3	Very low	100 Å²	100	127 Å²	127	70%	0.699	78%	0.782	S	S	*	*				73.4	138.9	95.4	-47.7	0	0	0	0	113.8
196	E	26.6	Very low	28.5	Very low	173 Å²	173	128.9 Å²	128.9	81%	0.808	80%	0.796	S	S	*	*			cis	-173.6	172.2	2.1	-118.3	-176.7	171.6	0	0	109
197	T	25.6	Very low	28.4	Very low	138 Å²	138	125.7 Å²	125.7	85%	0.847	79%	0.791	S	S	*	*			trans	109.1	103.2	155.8	61.2	0	0	0	0	119.5
198	A	27.6	Very low	28.4	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	80%	0.799	S	S	*	*			trans	-99.6	168	145.1	0	0	0	0	0	108.8
199	P	31.8	Very low	28.5	Very low	136 Å²	136	125 Å²	125	88%	0.883	80%	0.804	S	S	*	*				-137.2	166.9	123.7	32.8	-17.9	0	0	0	114.2
200	A	25.4	Very low	28.2	Very low	86 Å²	86	130.1 Å²	130.1	71%	0.711	81%	0.806	S	S	*	*			trans	-92.4	157.4	-165.9	0	0	0	0	0	115.4
201	S	26.2	Very low	28.2	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	81%	0.809	S	S	*	*			trans	34.5	125.1	139.9	63.3	0	0	0	0	122.2
202	V	25.4	Very low	28	Very low	146 Å²	146	135.5 Å²	135.5	89%	0.885	81%	0.81	S	S	*	*			trans	-141.7	123.7	149.1	179.2	0	0	0	0	110
203	F	27.2	Very low	27.8	Very low	180 Å²	180	136 Å²	136	79%	0.789	81%	0.811	S	S	*	*			trans	-75.9	160.1	165.1	-97.1	-91.1	0	0	0	110.6
204	P	32	Very low	27.5	Very low	124 Å²	124	135.2 Å²	135.2	81%	0.805	82%	0.816	S	S	*	*				-138.8	152.4	108.2	26.8	-8.8	0	0	0	115.7
205	Q	26.8	Very low	26.9	Very low	170 Å²	170	134 Å²	134	79%	0.794	82%	0.816	S	S	*	*			trans	-74.1	150	171	-69.2	172	-48.5	0	0	112.8
206	N	27.5	Very low	27.1	Very low	171 Å²	171	137.2 Å²	137.2	91%	0.914	82%	0.82	S	S	*	*			trans	175.7	135.6	136.1	-87.9	-16.4	0	0	0	106.4
207	G	23.7	Very low	27.3	Very low	70 Å²	70	135 Å²	135	72%	0.722	82%	0.821	S	S	*	*			cis	135.6	111.4	12.6	0	0	0	0	0	108.9
208	A	26.5	Very low	27.3	Very low	112 Å²	112	131.5 Å²	131.5	93%	0.926	81%	0.812	S	S	*	*			trans	73.6	144.6	166.5	0	0	0	0	0	118.2
209	A	27.5	Very low	27.3	Very low	103 Å²	103	139.3 Å²	139.3	85%	0.851	82%	0.821	S	S	*	*			cis	-154	159.3	15.5	0	0	0	0	0	112.9
210	R	28.3	Very low	27	Very low	244 Å²	244	142.5 Å²	142.5	92%	0.921	82%	0.821	S	S	*	*			trans	-97.2	159	-178.8	-65.9	173.5	161.8	-156.5	-3.6	113.5
211	R	26.9	Very low	27.1	Very low	242 Å²	242	149 Å²	149	91%	0.913	83%	0.827	S	S	*	*			trans	-160.3	114.6	136.9	-94.4	-179.7	-171.4	-166.6	1.3	106.2
212	A	25.7	Very low	27	Very low	91 Å²	91	151.4 Å²	151.4	75%	0.752	83%	0.825	S	S	*	*				69.7	128.1	55.4	0	0	0	0	0	111.1
213	V	27	Very low	27.1	Very low	140 Å²	140	149.2 Å²	149.2	85%	0.848	82%	0.816	S	S	*	*			cis	-161.5	151.7	18.5	-179.5	0	0	0	0	105.6
214	A	25	Very low	26.9	Very low	98 Å²	98	147.1 Å²	147.1	81%	0.81	81%	0.813	S	S	*	*				176.6	150.4	80.4	0	0	0	0	0	112.4
215	A	25	Very low	26.4	Very low	90 Å²	90	146.7 Å²	146.7	74%	0.744	81%	0.811	S	S	*	*			trans	-135.9	143.4	178.8	0	0	0	0	0	111.9
216	Q	31.9	Very low	26.4	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	81%	0.814	S	S	*	*			trans	77.4	144.3	155.2	-61.9	-55.9	-32.8	0	0	118
217	P	30.7	Very low	26.3	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	81%	0.806	S	S	*	*				-140.4	158.9	60.1	36.5	-16.2	0	0	0	118.5
218	G	24.6	Very low	26.4	Very low	63 Å²	63	145 Å²	145	65%	0.649	81%	0.813	S	S	*	*			trans	-81.2	171.5	173.7	0	0	0	0	0	115.8
219	R	28.5	Very low	26.4	Very low	257 Å²	257	147.1 Å²	147.1	97%	0.97	81%	0.808	S	S	*	*			trans	-147.7	130.8	168.3	-118	177.8	178.3	-179	-0.2	111.6
220	K	25.1	Very low	26.3	Very low	204 Å²	204	151.6 Å²	151.6	89%	0.887	81%	0.812	S	S	*	*			trans	-75.8	149	174.4	-69.1	175.4	171.9	178.4	0	112.7
221	R	27.7	Very low	26.2	Very low	222 Å²	222	147.5 Å²	147.5	84%	0.838	81%	0.808	S	S	*	*			trans	162.9	149	139.2	-103.5	-176.5	170	-176.3	-1.8	108.8
222	K	24.8	Very low	26.4	Very low	157 Å²	157	142 Å²	142	68%	0.683	81%	0.806	S	S	*	*			cis	-170.5	135.9	-5.1	-146.7	178.4	-179	-167.9	0	104.2
223	S	26.1	Very low	26.5	Very low	100 Å²	100	146.9 Å²	146.9	70%	0.699	81%	0.814	S	S	*	*			trans	-71.6	136.7	165.4	60.6	0	0	0	0	109.1
224	N	23.4	Very low	26.5	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	81%	0.811	S	S	*	*			trans	-141.5	107.4	161.1	-121.2	67	0	0	0	108.7
225	C	22.8	Very low	26.8	Very low	114 Å²	114	148 Å²	148	77%	0.77	81%	0.811	S	S	*	*			trans	-85.6	127.8	169.4	-39.2	0	0	0	0	106.9
226	L	26.6	Very low	27	Very low	163 Å²	163	148.9 Å²	148.9	85%	0.853	81%	0.811	S	S	*	*			trans	-141.4	117.1	156.9	-82.1	174.1	0	0	0	106.3
227	G	23.8	Very low	27.2	Very low	72 Å²	72	149.1 Å²	149.1	74%	0.742	82%	0.818	S	S	*	*			trans	-79.4	158.3	174	0	0	0	0	0	111.4
228	T	26.6	Very low	27.1	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	81%	0.811	S	S	*	*			trans	-145.3	112.7	149.4	41.5	0	0	0	0	105.7
229	D	25.5	Very low	27.6	Very low	156 Å²	156	150.9 Å²	150.9	83%	0.834	82%	0.82	S	S	*	*			trans	-56.2	137.2	162.9	-55.4	-62.9	0	0	0	109.3
230	E	27.3	Very low	27.9	Very low	197 Å²	197	144.5 Å²	144.5	92%	0.921	81%	0.811	S	S	*	*			trans	-154.4	113.4	140.3	-80.5	-138.4	121.3	0	0	109
231	D	25.8	Very low	28.4	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	81%	0.808	S	S	*	*			trans	-59.7	140	164.3	-77.4	-53.5	0	0	0	111
232	S	30.3	Very low	28.9	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	80%	0.801	S	S	*	*			trans	-158.8	112	148	-77.3	0	0	0	0	110.6
233	Q	29.1	Very low	29.4	Very low	195 Å²	195	131.2 Å²	131.2	91%	0.911	80%	0.8	S	S	*	*			trans	-60	139.1	166.2	-62.9	163.9	-37.2	0	0	110.5
234	D	25.3	Very low	30	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	80%	0.804	S	S	*	*			trans	-153.7	104.9	137.9	-157.7	5.4	0	0	0	110.2
235	S	31.5	Very low	30.7	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	80%	0.802	S	S	*	*			trans	-86.2	120.7	166.4	-63.4	0	0	0	0	107.4
236	S	29.9	Very low	31.6	Very low	107 Å²	107	134 Å²	134	75%	0.748	78%	0.784	S	S	*	*			trans	-129.9	110.4	159.1	57.8	0	0	0	0	111	G238	S236-G238 PolarHBondContact O-N 3.39Å
237	D	35.5	Very low	32.2	Very low	174 Å²	174	128.4 Å²	128.4	93%	0.93	77%	0.766	S	S	*	*			trans	-58.8	115	167	-74.8	-56.6	0	0	0	110.3
238	G	28.8	Very low	33	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	74%	0.744	S	S	*	*			trans	-122.4	112.7	173.1	0	0	0	0	0	110.5	S236	S236-G238 PolarHBondContact O-N 3.39Å
239	I	34.6	Very low	33.7	Very low	160 Å²	160	126.1 Å²	126.1	82%	0.821	73%	0.734	S	S	*	*			trans	-47.3	133.1	169.9	-59.4	166.1	0	0	0	109.5	S241	I239-S241 PolarHBondContact O-N 2.95Å
240	P	35.1	Very low	34.8	Very low	122 Å²	122	121.7 Å²	121.7	79%	0.792	71%	0.713	S	S	*	*			trans	-68.6	104.5	178.3	-6.8	20.9	0	0	0	109.4
241	S	37.2	Very low	35.4	Very low	117 Å²	117	116.8 Å²	116.8	82%	0.818	70%	0.7	S	S	*	*			trans	-60.5	149.6	163.2	-92.3	0	0	0	0	110.1	I239	I239-S241 PolarHBondContact O-N 2.95Å
242	A	37.3	Very low	36.4	Very low	84 Å²	84	114.6 Å²	114.6	69%	0.694	69%	0.688	S	S	*	*			trans	-44.2	150.7	-176	0	0	0	0	0	114.4	R244	A242-R244 PolarHBondContact O-N 3.23Å
243	P	35.4	Very low	37.2	Very low	103 Å²	103	119.6 Å²	119.6	67%	0.669	69%	0.688	S	S	*	*			trans	-57.3	128.5	-176.9	-17.5	29	0	0	0	111.1
244	R	38.5	Very low	38	Very low	206 Å²	206	112.9 Å²	112.9	78%	0.777	66%	0.662	S	S	*	*			trans	-69.1	131.5	171.5	-68.5	-175.5	-178.6	-170.7	1.1	109	A242 T246	A242-R244 PolarHBondContact O-N 3.23Å; R244-T246 PolarHBondContact O-N 3.41Å
245	M	37.3	Very low	39.1	Very low	137 Å²	137	112.4 Å²	112.4	68%	0.675	66%	0.655	S	S	*	*	S	Bend	trans	-74.9	-2.6	177.4	-71.2	-160.5	64.5	0	0	114.2	G247	M245-G247 PolarHBondContact O-N 3.07Å
246	T	43	Very low	40	Very low	65 Å²	65	112.9 Å²	112.9	40%	0.399	65%	0.649	S	S	.	*			trans	-91.8	98.4	172.9	51	0	0	0	0	108.8	R244 S248	R244-T246 PolarHBondContact O-N 3.41Å; T246-S248 PolarHBondContact O-N 3.35Å
247	G	38.9	Very low	41.5	Very low	46 Å²	46	110 Å²	110	47%	0.474	63%	0.625	S	S	.	*			trans	-67	41.4	177.2	0	0	0	0	0	114.7	M245	M245-G247 PolarHBondContact O-N 3.07Å
248	S	41	Very low	42.8	Very low	40 Å²	40	104 Å²	104	28%	0.28	59%	0.593	S	S	.	*			trans	-138.2	99.8	177.1	-168.3	0	0	0	0	109.4	T246 V250	T246-S248 PolarHBondContact O-N 3.35Å; S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.11Å
249	L	40	Very low	44.7	Very low	125 Å²	125	104 Å²	104	65%	0.654	58%	0.579	S	S	*	*			trans	-86.9	15.9	173.4	-72.2	170.3	0	0	0	113.3	P438	L249-P438 HydrophobicContact CD1-CB 4.06Å; L249-P438 HydrophobicContact CD1-CG 3.75Å
250	V	48.3	Very low	46.8	Very low	64 Å²	64	99.3 Å²	99.3	39%	0.388	56%	0.557	S	S	.	*			trans	-90.3	117.8	-177.3	-170.2	0	0	0	0	110.3	S248	S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.11Å
251	S	41.1	Very low	48.9	Very low	93 Å²	93	95.6 Å²	95.6	65%	0.65	53%	0.528	S	S	*	.			trans	-61.5	131.9	173	51.2	0	0	0	0	111.3	R253	S251-R253 PolarHBondContact O-N 3.4Å; S251-R253 VanDerWaalsContact O-N 3.07Å
252	D	47	Very low	51.1	Low	114 Å²	114	91.3 Å²	91.3	61%	0.61	50%	0.495	S	S	*	.	S	Bend	trans	-78.5	79.2	-169.2	-162.5	32.2	0	0	0	113.3	R261	D252-R261 IonicContact OD1-CZ 3.99Å; D252-R261 IonicContact OD1-NH1 3.94Å; D252-R261 PolarHBondContact OD1-NH1 3.5Å; D252-R261 IonicContact OD1-NH2 2.62Å; D252-R261 PolarHBondContact OD1-NH2 2.93Å
253	R	46.1	Very low	53.6	Low	229 Å²	229	90 Å²	90	86%	0.864	47%	0.474	S	S	*	.			trans	-140.5	13	-171.8	-72.6	-161.1	164.6	178.9	-2.7	120.8	S251	S251-R253 PolarHBondContact O-N 3.4Å; S251-R253 VanDerWaalsContact O-N 3.07Å
254	S	45.8	Very low	56.3	Low	54 Å²	54	86.8 Å²	86.8	38%	0.378	45%	0.451	S	S	.	.			trans	-153.9	158.3	165.5	73.5	0	0	0	0	114.4	D256 D257 I258	S254-D256 PolarHBondContact O-N 2.93Å; S254-D257 WeakPolarHBondContact CB-OD2 3.35Å; S254-D257 PolarHBondContact N-OD2 2.92Å; S254-D257 VanDerWaalsContact O-CB 3.28Å; S254-D257 WeakPolarHBondContact O-CB 3.48Å; S254-D257 PolarHBondContact O-N 3.25Å; S254-D257 PolarHBondContact OG-N 3.27Å; S254-D257 PolarHBondContact OG-OD1 3.4Å; S254-D257 PolarHBondContact OG-OD2 3.45Å; S254-I258 PolarHBondContact O-N 2.94Å
255	H	49.6	Very low	59	Low	139 Å²	139	77.1 Å²	77.1	64%	0.644	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-30.2	176.4	-175.4	-80.4	0	0	0	112.3	D257 I258 V259	H255-D257 VanDerWaalsContact C-N 3.29Å; H255-D257 PolarHBondContact O-N 3.07Å; H255-I258 PolarHBondContact O-N 3.09Å; H255-V259 PolarHBondContact O-N 2.9Å
256	D	49.5	Very low	61.6	Low	123 Å²	123	77.8 Å²	77.8	66%	0.658	42%	0.416	S	S	*	.	H	α-helix	trans	-68	-29.3	172.8	-69	-23.7	0	0	0	112	S254 I258 T260	S254-D256 PolarHBondContact O-N 2.93Å; D256-I258 VanDerWaalsContact C-N 3.27Å; D256-I258 PolarHBondContact O-N 3.37Å; D256-T260 WeakPolarHBondContact O-CG2 3.15Å; D256-T260 PolarHBondContact O-N 3.37Å; D256-T260 PolarHBondContact O-OG1 3.23Å; D256-T260 VanDerWaalsContact O-OG1 3.08Å
257	D	61.5	Low	64.2	Low	47 Å²	47	75.6 Å²	75.6	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-70.5	-23.4	173.5	-58.1	-40	0	0	0	112.3	S254 H255 T260 R261	S254-D257 WeakPolarHBondContact CB-OD2 3.35Å; S254-D257 PolarHBondContact N-OD2 2.92Å; S254-D257 VanDerWaalsContact O-CB 3.28Å; S254-D257 WeakPolarHBondContact O-CB 3.48Å; S254-D257 PolarHBondContact O-N 3.25Å; S254-D257 PolarHBondContact OG-N 3.27Å; S254-D257 PolarHBondContact OG-OD1 3.4Å; S254-D257 PolarHBondContact OG-OD2 3.45Å; H255-D257 VanDerWaalsContact C-N 3.29Å; H255-D257 PolarHBondContact O-N 3.07Å; D257-T260 PolarHBondContact O-OG1 2.93Å; D257-R261 WeakPolarHBondContact O-CD 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.26Å; D257-R261 PolarHBondContact O-NE 3.44Å
258	I	62.3	Low	67	Low	49 Å²	49	73.4 Å²	73.4	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-76.8	-45.6	176.9	-58.9	173.9	0	0	0	110.1	S254 H255 D256 T260 R261	S254-I258 PolarHBondContact O-N 2.94Å; H255-I258 PolarHBondContact O-N 3.09Å; D256-I258 VanDerWaalsContact C-N 3.27Å; D256-I258 PolarHBondContact O-N 3.37Å; I258-T260 VanDerWaalsContact C-N 3.29Å; I258-T260 PolarHBondContact O-N 3.4Å; I258-R261 WeakPolarHBondContact O-CB 3.29Å; I258-R261 PolarHBondContact O-N 3.11Å; I258-R261 VanDerWaalsContact O-N 3.13Å
259	V	69.6	Low	69.7	Low	67 Å²	67	73 Å²	73	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-40.9	179.7	177.9	0	0	0	0	111.2	H255 R261 M262	H255-V259 PolarHBondContact O-N 2.9Å; V259-R261 VanDerWaalsContact C-N 3.26Å; V259-R261 PolarHBondContact O-N 3.2Å; V259-M262 PolarHBondContact O-N 3.46Å
260	T	78	Confident	72.5	Confident	61 Å²	61	67.2 Å²	67.2	37%	0.374	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.1	-179.3	56.1	0	0	0	0	114.1	D256 D257 I258 M262 F280	D256-T260 WeakPolarHBondContact O-CG2 3.15Å; D256-T260 PolarHBondContact O-N 3.37Å; D256-T260 PolarHBondContact O-OG1 3.23Å; D256-T260 VanDerWaalsContact O-OG1 3.08Å; D257-T260 PolarHBondContact O-OG1 2.93Å; I258-T260 VanDerWaalsContact C-N 3.29Å; I258-T260 PolarHBondContact O-N 3.4Å; T260-M262 VanDerWaalsContact C-N 3.28Å; T260-F280 HydrophobicContact CG2-CD1 3.9Å; T260-F280 HydrophobicContact CG2-CD2 4.49Å; T260-F280 HydrophobicContact CG2-CE1 3.93Å; T260-F280 HydrophobicContact CG2-CG 4.19Å; T260-F280 HydrophobicContact CG2-CZ 4.27Å; T260-F280 WeakPolarHBondContact O-CB 3.36Å
261	R	79.4	Confident	74.7	Confident	44 Å²	44	66 Å²	66	17%	0.166	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.3	169.6	-75	168.3	-169.4	-176.7	8.4	113.2	L65 D252 D257 I258 V259	L65-R261 HydrophobicContact CD1-CB 4.37Å; D252-R261 IonicContact OD1-CZ 3.99Å; D252-R261 IonicContact OD1-NH1 3.94Å; D252-R261 PolarHBondContact OD1-NH1 3.5Å; D252-R261 IonicContact OD1-NH2 2.62Å; D252-R261 PolarHBondContact OD1-NH2 2.93Å; D257-R261 WeakPolarHBondContact O-CD 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.26Å; D257-R261 PolarHBondContact O-NE 3.44Å; I258-R261 WeakPolarHBondContact O-CB 3.29Å; I258-R261 PolarHBondContact O-N 3.11Å; I258-R261 VanDerWaalsContact O-N 3.13Å; V259-R261 VanDerWaalsContact C-N 3.26Å; V259-R261 PolarHBondContact O-N 3.2Å
262	M	83.7	Confident	77.2	Confident	28 Å²	28	70 Å²	70	14%	0.138	35%	0.345	C	S	.	.	S	Bend	trans	-102.8	139.5	178.6	-61.1	-170.1	-74.6	0	0	111.2	L65 S66 Y77 V259 T260 N264 F280	L65-M262 HydrophobicContact CB-CG 4.22Å; L65-M262 HydrophobicContact CB-SD 4.31Å; L65-M262 HydrophobicContact CD1-CG 4.34Å; S66-M262 VanDerWaalsContact CB-CE 3.48Å; S66-M262 WeakPolarHBondContact CB-SD 3.33Å; Y77-M262 HydrophobicContact CD1-CB 4.24Å; Y77-M262 HydrophobicContact CD1-CG 3.55Å; Y77-M262 HydrophobicContact CD1-SD 3.68Å; Y77-M262 HydrophobicContact CE1-CB 4Å; Y77-M262 HydrophobicContact CE1-CG 3.71Å; Y77-M262 HydrophobicContact CE1-SD 4.37Å; Y77-M262 HydrophobicContact CG-CG 4.23Å; Y77-M262 HydrophobicContact CG-SD 3.81Å; V259-M262 PolarHBondContact O-N 3.46Å; T260-M262 VanDerWaalsContact C-N 3.28Å; M262-N264 PolarHBondContact O-N 3.11Å; M262-F280 WeakPolarHBondContact O-CB 3.42Å
263	K	89.6	Confident	79.6	Confident	56 Å²	56	66.5 Å²	66.5	24%	0.243	33%	0.325	C	S	.	.			trans	-66.7	132.6	170.2	73.5	-161.6	177.4	-163.3	0	109.4	Y77 D88	Y77-K263 HydrophobicContact CE2-CG 4.45Å; Y77-K263 WeakPolarHBondContact OH-CG 3.4Å; D88-K263 PolarHBondContact O-NZ 3.16Å
264	N	92.4	Very high	82	Confident	35 Å²	35	63 Å²	63	19%	0.187	31%	0.312	C	S	.	.			trans	-104.3	-7.7	-176.7	63.5	-31	0	0	0	113.5	M262 F280 S281 T288	M262-N264 PolarHBondContact O-N 3.11Å; N264-F280 HydrophobicContact CB-CD2 3.82Å; N264-F280 HydrophobicContact CB-CE2 4.04Å; N264-F280 VanDerWaalsContact CG-CD2 3.48Å; N264-F280 WeakPolarHBondContact ND2-CE2 3.42Å; N264-S281 PolarHBondContact ND2-O 2.94Å; N264-S281 PolarHBondContact OD1-N 3.4Å; N264-S281 PolarHBondContact OD1-O 3.34Å; N264-T288 VanDerWaalsContact ND2-CG2 3.3Å; N264-T288 WeakPolarHBondContact ND2-CG2 3.38Å; N264-T288 WeakPolarHBondContact O-CB 3.11Å
265	I	94.4	Very high	84.4	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.015	30%	0.296	C	S	.	.			trans	-120.5	127.1	179.7	-60.7	166	0	0	0	108.1	I268 P277 Y283 T288 L293	I265-I268 HydrophobicContact CG2-CG1 3.96Å; I265-P277 HydrophobicContact CB-CG 3.97Å; I265-P277 HydrophobicContact CG2-CG 3.91Å; I265-P277 WeakPolarHBondContact O-CG 3.36Å; I265-Y283 HydrophobicContact CD1-CD2 3.34Å; I265-Y283 HydrophobicContact CD1-CE2 3.97Å; I265-Y283 HydrophobicContact CD1-CG 3.95Å; I265-T288 HydrophobicContact CG1-CG2 4.17Å; I265-L293 HydrophobicContact CD1-CD2 4.1Å; I265-L293 HydrophobicContact CG2-CB 4.31Å
266	E	92.4	Very high	86.6	Confident	152 Å²	152	62.1 Å²	62.1	71%	0.71	30%	0.3	S	S	*	.	S	Bend	trans	-80.6	-43.9	-176.8	-174.4	156.1	-177.8	0	0	112.6
267	C	96.6	Very high	88.8	Confident	19 Å²	19	56.4 Å²	56.4	13%	0.128	27%	0.269	C	S	.	.			trans	-148.4	141.8	-178.8	-171.7	0	0	0	0	112.3	L275 P291 V292 L293	C267-L275 WeakPolarHBondContact CA-O 3.32Å; C267-P291 WeakPolarHBondContact CB-O 3.26Å; C267-V292 HydrophobicContact CB-CG2 4.26Å; C267-V292 WeakPolarHBondContact O-CA 3.41Å; C267-L293 PolarHBondContact O-N 2.82Å
268	I	98.2	Very high	90.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.7	170.3	-66.3	174.5	0	0	0	108.8	I265 L270 R274 L275 P277 L293 L295 L352 C355	I265-I268 HydrophobicContact CG2-CG1 3.96Å; I268-L270 HydrophobicContact CG2-CB 4.39Å; I268-R274 CarbonylContact O-C 3.52Å; I268-R274 WeakPolarHBondContact O-CA 3.29Å; I268-L275 HydrophobicContact CB-CB 4.34Å; I268-L275 PolarHBondContact N-O 3.44Å; I268-L275 PolarHBondContact O-N 3.27Å; I268-P277 HydrophobicContact CD1-CG 3.91Å; I268-P277 HydrophobicContact CG1-CG 4.06Å; I268-L293 CarbonylContact C-O 3.58Å; I268-L293 VanDerWaalsContact CA-O 3.31Å; I268-L293 WeakPolarHBondContact CA-O 3.32Å; I268-L293 HydrophobicContact CG1-CB 4.33Å; I268-L293 HydrophobicContact CG1-CD2 4.47Å; I268-L295 HydrophobicContact CG2-CD1 3.99Å; I268-L295 HydrophobicContact CG2-CD2 4.23Å; I268-L352 HydrophobicContact CD1-CD1 4.15Å; I268-L352 HydrophobicContact CG2-CD1 4.49Å; I268-C355 HydrophobicContact CD1-CB 4.29Å; I268-C355 VanDerWaalsContact CD1-SG 3.59Å
269	E	98.1	Very high	91.8	Very high	31 Å²	31	55.6 Å²	55.6	15%	0.145	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.4	168.1	-167.8	169.9	108.4	0	0	109.3	H273 R274 V292 L293 Y294 L295	E269-H273 WeakPolarHBondContact CA-O 3.5Å; E269-R274 HydrophobicContact CB-CG 4.48Å; E269-R274 HydrophobicContact CG-CG 4.3Å; E269-R274 IonicContact OE2-CZ 3.57Å; E269-R274 VanDerWaalsContact OE2-CZ 3.32Å; E269-R274 IonicContact OE2-NE 3.51Å; E269-R274 PolarHBondContact OE2-NE 2.87Å; E269-R274 IonicContact OE2-NH2 3.55Å; E269-R274 PolarHBondContact OE2-NH2 3.39Å; E269-V292 HydrophobicContact CB-CG1 3.81Å; E269-L293 PolarHBondContact N-O 3.43Å; E269-Y294 HydrophobicContact CB-CD1 3.84Å; E269-Y294 HydrophobicContact CB-CE1 4.15Å; E269-Y294 HydrophobicContact CG-CD1 4.25Å; E269-Y294 HydrophobicContact CG-CE1 4.42Å; E269-Y294 WeakPolarHBondContact OE1-CD1 3.5Å; E269-Y294 VanDerWaalsContact OE1-CE1 3.31Å; E269-Y294 WeakPolarHBondContact OE1-CE1 3.46Å; E269-L295 PolarHBondContact O-N 2.89Å
270	L	97.9	Very high	93	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	111.4	-179.5	-178.3	71.3	0	0	0	109.2	I268 R272 H273 L275 L295 E297 L300 L352 I384 L406	I268-L270 HydrophobicContact CG2-CB 4.39Å; L270-R272 PolarHBondContact O-N 3.1Å; L270-H273 PolarHBondContact N-O 2.85Å; L270-H273 PolarHBondContact O-N 2.65Å; L270-L275 HydrophobicContact CB-CD1 4.36Å; L270-L275 HydrophobicContact CD2-CD1 4.29Å; L270-L295 HydrophobicContact CD1-CB 3.73Å; L270-L295 HydrophobicContact CD1-CD2 4.43Å; L270-E297 HydrophobicContact CD1-CB 4.34Å; L270-E297 HydrophobicContact CD1-CG 4.5Å; L270-L300 HydrophobicContact CD1-CD2 4.19Å; L270-L352 HydrophobicContact CD2-CD2 4.01Å; L270-I384 HydrophobicContact CD2-CG2 4.24Å; L270-L406 HydrophobicContact CD2-CD1 3.9Å
271	G	94.7	Very high	93.8	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-121.7	-175.1	0	0	0	0	0	110.8
272	R	93.9	Very high	94.5	Very high	177 Å²	177	50 Å²	50	67%	0.668	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.4	176.7	63.6	-178.6	165.1	-170	-6.4	114.6	L270	L270-R272 PolarHBondContact O-N 3.1Å
273	H	97.4	Very high	95.1	Very high	41 Å²	41	49 Å²	49	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.6	-169	-58.7	-66	0	0	0	112	E269 L270 L275 P408 Y409	E269-H273 WeakPolarHBondContact CA-O 3.5Å; L270-H273 PolarHBondContact N-O 2.85Å; L270-H273 PolarHBondContact O-N 2.65Å; H273-L275 HydrophobicContact CB-CD2 3.84Å; H273-P408 HydrophobicContact CB-CG 3.95Å; H273-Y409 AromaticContact NE2-CZ 3.52Å; H273-Y409 PolarHBondContact NE2-OH 3.15Å
274	R	97.4	Very high	95.3	Very high	157 Å²	157	48.4 Å²	48.4	59%	0.592	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.8	164.3	-75.8	-171.2	172.6	-163.2	-2.5	109.4	I268 E269	I268-R274 CarbonylContact O-C 3.52Å; I268-R274 WeakPolarHBondContact O-CA 3.29Å; E269-R274 HydrophobicContact CB-CG 4.48Å; E269-R274 HydrophobicContact CG-CG 4.3Å; E269-R274 IonicContact OE2-CZ 3.57Å; E269-R274 VanDerWaalsContact OE2-CZ 3.32Å; E269-R274 IonicContact OE2-NE 3.51Å; E269-R274 PolarHBondContact OE2-NE 2.87Å; E269-R274 IonicContact OE2-NH2 3.55Å; E269-R274 PolarHBondContact OE2-NH2 3.39Å
275	L	96.7	Very high	95.3	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.1	-175.1	-47.7	-177.9	0	0	0	109.3	C267 I268 L270 H273 P277 F356 P408	C267-L275 WeakPolarHBondContact CA-O 3.32Å; I268-L275 HydrophobicContact CB-CB 4.34Å; I268-L275 PolarHBondContact N-O 3.44Å; I268-L275 PolarHBondContact O-N 3.27Å; L270-L275 HydrophobicContact CB-CD1 4.36Å; L270-L275 HydrophobicContact CD2-CD1 4.29Å; H273-L275 HydrophobicContact CB-CD2 3.84Å; L275-P277 WeakPolarHBondContact O-CD 3.46Å; L275-F356 HydrophobicContact CB-CZ 3.92Å; L275-F356 HydrophobicContact CD1-CE2 4.24Å; L275-F356 HydrophobicContact CD1-CZ 3.93Å; L275-P408 HydrophobicContact CD2-CG 3.33Å
276	K	95.6	Very high	95.2	Very high	167 Å²	167	59.4 Å²	59.4	73%	0.726	27%	0.274	S	S	*	.			trans	-97.8	112.4	168.6	-68.7	-175.1	178.3	-176.7	0	108.3
277	P	95.8	Very high	95.2	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.019	25%	0.246	C	C	.	.			trans	-55	150.6	173.2	-29.1	39.8	0	0	0	112.4	I265 I268 L275 C355	I265-P277 HydrophobicContact CB-CG 3.97Å; I265-P277 HydrophobicContact CG2-CG 3.91Å; I265-P277 WeakPolarHBondContact O-CG 3.36Å; I268-P277 HydrophobicContact CD1-CG 3.91Å; I268-P277 HydrophobicContact CG1-CG 4.06Å; L275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-C355 HydrophobicContact CB-CB 4Å; P277-C355 HydrophobicContact CG-CB 4.39Å
278	W	93.1	Very high	95	Very high	42 Å²	42	52.9 Å²	52.9	16%	0.159	24%	0.244	C	C	.	.			trans	-103.7	-33.2	178.6	-57.1	-17.8	0	0	0	112	R86 C355 F356 P407 Q410	R86-W278 HydrophobicContact CB-CB 4.23Å; R86-W278 HydrophobicContact CB-CD2 4.21Å; R86-W278 HydrophobicContact CB-CG 3.78Å; W278-C355 PolarHBondContact N-O 2.69Å; W278-F356 AromaticContact CD2-CD1 3.92Å; W278-F356 HydrophobicContact CD2-CD1 3.92Å; W278-F356 HydrophobicContact CE3-CB 4.13Å; W278-F356 HydrophobicContact CE3-CD1 4.28Å; W278-F356 HydrophobicContact CG-CD1 4.13Å; W278-F356 HydrophobicContact CZ3-CB 4.45Å; W278-P407 HydrophobicContact CZ2-CB 4.31Å; W278-P407 HydrophobicContact CZ2-CG 4.08Å; W278-Q410 VanDerWaalsContact CH2-NE2 3.33Å
279	Y	93.2	Very high	94.6	Very high	37 Å²	37	58 Å²	58	15%	0.145	28%	0.275	C	S	.	.	S	Bend	trans	-127.7	165.1	-174.9	-52.7	-78.5	0	0	0	111.2	K85 C355 F356 D358	K85-Y279 HydrophobicContact CB-CD1 4.49Å; K85-Y279 HydrophobicContact CB-CE1 3.96Å; K85-Y279 HydrophobicContact CD-CD1 4.21Å; K85-Y279 HydrophobicContact CD-CE1 3.92Å; K85-Y279 HydrophobicContact CG-CE1 4.41Å; Y279-C355 PolarHBondContact N-O 3.49Å; Y279-F356 VanDerWaalsContact CD2-C 3.47Å; Y279-F356 WeakPolarHBondContact CE2-O 3.38Å; Y279-D358 HydrophobicContact CD1-CB 3.75Å; Y279-D358 HydrophobicContact CD2-CB 4.49Å; Y279-D358 HydrophobicContact CE1-CB 3.51Å; Y279-D358 VanDerWaalsContact CE1-CG 3.46Å; Y279-D358 HydrophobicContact CE2-CB 4.31Å; Y279-D358 HydrophobicContact CG-CB 4.24Å
280	F	94	Very high	94.4	Very high	37 Å²	37	58.7 Å²	58.7	16%	0.162	28%	0.279	C	S	.	.			trans	-55.4	136.4	168.1	178.1	-92.7	0	0	0	111	T260 M262 N264 P282 K354	T260-F280 HydrophobicContact CG2-CD1 3.9Å; T260-F280 HydrophobicContact CG2-CD2 4.49Å; T260-F280 HydrophobicContact CG2-CE1 3.93Å; T260-F280 HydrophobicContact CG2-CG 4.19Å; T260-F280 HydrophobicContact CG2-CZ 4.27Å; T260-F280 WeakPolarHBondContact O-CB 3.36Å; M262-F280 WeakPolarHBondContact O-CB 3.42Å; N264-F280 HydrophobicContact CB-CD2 3.82Å; N264-F280 HydrophobicContact CB-CE2 4.04Å; N264-F280 VanDerWaalsContact CG-CD2 3.48Å; N264-F280 WeakPolarHBondContact ND2-CE2 3.42Å; F280-P282 HydrophobicContact CE1-CB 3.9Å; F280-P282 HydrophobicContact CE1-CG 4.5Å; F280-P282 HydrophobicContact CZ-CB 4.35Å; F280-K354 WeakPolarHBondContact O-CG 3.29Å; F280-K354 PolarHBondContact O-NZ 3.05Å
281	S	95.2	Very high	94.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.307	C	S	.	.			trans	-133.3	133.8	167.1	-175.9	0	0	0	0	111.2	N264 Y283 L351 C355	N264-S281 PolarHBondContact ND2-O 2.94Å; N264-S281 PolarHBondContact OD1-N 3.4Å; N264-S281 PolarHBondContact OD1-O 3.34Å; S281-Y283 PolarHBondContact O-N 2.83Å; S281-Y283 WeakPolarHBondContact OG-CD2 3.49Å; S281-Y283 WeakPolarHBondContact OG-CE2 3.27Å; S281-L351 PolarHBondContact OG-O 3.26Å; S281-C355 WeakPolarHBondContact CB-SG 3.5Å
282	P	94.6	Very high	94.3	Very high	17 Å²	17	61.9 Å²	61.9	11%	0.11	29%	0.293	C	S	.	.			trans	-80.6	52.9	-171.9	32.9	-34.2	0	0	0	112.5	F280 L351 Y363 Y364	F280-P282 HydrophobicContact CE1-CB 3.9Å; F280-P282 HydrophobicContact CE1-CG 4.5Å; F280-P282 HydrophobicContact CZ-CB 4.35Å; P282-L351 HydrophobicContact CG-CD2 3.86Å; P282-Y363 HydrophobicContact CB-CE2 3.94Å; P282-Y363 HydrophobicContact CG-CD1 4.22Å; P282-Y363 HydrophobicContact CG-CD2 3.55Å; P282-Y363 HydrophobicContact CG-CE1 3.96Å; P282-Y363 HydrophobicContact CG-CE2 3.18Å; P282-Y363 HydrophobicContact CG-CG 4.05Å; P282-Y363 VanDerWaalsContact CG-CZ 3.45Å; P282-Y364 PolarHBondContact O-OH 3.22Å
283	Y	96	Very high	94.5	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.027	26%	0.262	C	S	.	.			trans	-65.2	157.1	164.8	-79.7	-92	0	0	0	110.5	I265 S281 Q285 L293 Y302 L351 L352	I265-Y283 HydrophobicContact CD1-CD2 3.34Å; I265-Y283 HydrophobicContact CD1-CE2 3.97Å; I265-Y283 HydrophobicContact CD1-CG 3.95Å; S281-Y283 PolarHBondContact O-N 2.83Å; S281-Y283 WeakPolarHBondContact OG-CD2 3.49Å; S281-Y283 WeakPolarHBondContact OG-CE2 3.27Å; Y283-Q285 PolarHBondContact O-N 2.99Å; Y283-L293 HydrophobicContact CD1-CD2 3.64Å; Y283-L293 HydrophobicContact CD2-CD2 4.15Å; Y283-L293 HydrophobicContact CE1-CD2 3.67Å; Y283-L293 HydrophobicContact CE2-CD2 4.15Å; Y283-L293 HydrophobicContact CG-CD2 3.87Å; Y283-Y302 AromaticContact CD1-CD1 3.97Å; Y283-Y302 HydrophobicContact CD1-CD1 3.97Å; Y283-Y302 HydrophobicContact CD1-CD2 4.34Å; Y283-Y302 HydrophobicContact CD1-CE1 4.23Å; Y283-Y302 HydrophobicContact CD1-CG 4Å; Y283-Y302 AromaticContact CE1-CD1 3.52Å; Y283-Y302 HydrophobicContact CE1-CD1 3.52Å; Y283-Y302 HydrophobicContact CE1-CE1 4.08Å; Y283-Y302 AromaticContact CE1-CG 3.77Å; Y283-Y302 HydrophobicContact CE1-CG 3.77Å; Y283-L351 HydrophobicContact CD1-CD1 4.25Å; Y283-L351 HydrophobicContact CD2-CB 4.23Å; Y283-L351 HydrophobicContact CE1-CB 4Å; Y283-L351 HydrophobicContact CE1-CD1 4.16Å; Y283-L351 HydrophobicContact CE2-CB 3.66Å; Y283-L351 WeakPolarHBondContact CE2-O 3.44Å; Y283-L352 WeakPolarHBondContact OH-CA 3.34Å; Y283-L352 PolarHBondContact OH-N 2.96Å
284	P	94.8	Very high	94.5	Very high	43 Å²	43	53.1 Å²	53.1	28%	0.279	26%	0.259	S	S	.	.			trans	-49.2	133.9	174.2	-28.1	34.6	0	0	0	112.4	E286 L287 T288 Y302	P284-E286 WeakPolarHBondContact CB-OE2 3.48Å; P284-E286 PolarHBondContact O-N 3.48Å; P284-E286 VanDerWaalsContact O-N 3.14Å; P284-L287 HydrophobicContact CB-CD1 4.21Å; P284-L287 HydrophobicContact CB-CG 4.28Å; P284-L287 HydrophobicContact CG-CD1 4.18Å; P284-L287 WeakPolarHBondContact O-CB 3.34Å; P284-L287 PolarHBondContact O-N 3.28Å; P284-T288 PolarHBondContact O-N 3.41Å; P284-Y302 HydrophobicContact CG-CE2 4Å
285	Q	90.9	Very high	94.6	Very high	126 Å²	126	45.7 Å²	45.7	59%	0.589	23%	0.231	S	C	*	.	H	α-helix	trans	-61	-28.7	-169.4	-173.1	63.2	11	0	0	113	Y283 L287 T288	Y283-Q285 PolarHBondContact O-N 2.99Å; Q285-L287 PolarHBondContact O-N 3.46Å; Q285-T288 PolarHBondContact O-N 3.2Å; Q285-T288 PolarHBondContact O-OG1 3.14Å; Q285-T288 PolarHBondContact OE1-OG1 2.99Å
286	E	92.5	Very high	94.6	Very high	143 Å²	143	45.4 Å²	45.4	67%	0.668	23%	0.229	S	C	*	.	H	α-helix	trans	-67.4	-19.8	177.1	-50.8	77.8	-169.2	0	0	112.2	P284 T289	P284-E286 WeakPolarHBondContact CB-OE2 3.48Å; P284-E286 PolarHBondContact O-N 3.48Å; P284-E286 VanDerWaalsContact O-N 3.14Å; E286-T289 PolarHBondContact O-OG1 2.97Å
287	L	93.4	Very high	94.7	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.12	20%	0.2	C	C	.	.	H	α-helix	trans	-95.5	-25.6	-178.7	-58	-177.9	0	0	0	113.1	P284 Q285 T289 L290 L293 Y302 R304	P284-L287 HydrophobicContact CB-CD1 4.21Å; P284-L287 HydrophobicContact CB-CG 4.28Å; P284-L287 HydrophobicContact CG-CD1 4.18Å; P284-L287 WeakPolarHBondContact O-CB 3.34Å; P284-L287 PolarHBondContact O-N 3.28Å; Q285-L287 PolarHBondContact O-N 3.46Å; L287-T289 VanDerWaalsContact C-N 3.28Å; L287-T289 PolarHBondContact O-N 3.26Å; L287-L290 HydrophobicContact CB-CD1 4.46Å; L287-L290 HydrophobicContact CD2-CD1 3.85Å; L287-L290 WeakPolarHBondContact O-CB 3.37Å; L287-L290 PolarHBondContact O-N 3.15Å; L287-L293 HydrophobicContact CB-CD1 4Å; L287-L293 HydrophobicContact CD1-CD1 4.02Å; L287-L293 HydrophobicContact CG-CD1 4.47Å; L287-Y302 HydrophobicContact CD1-CD2 3.42Å; L287-Y302 VanDerWaalsContact CD1-CD2 3.42Å; L287-Y302 HydrophobicContact CD1-CE2 3.7Å; L287-R304 HydrophobicContact CD2-CB 3.69Å
288	T	91.7	Very high	94.8	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-71.6	-27.1	-177.5	60.8	0	0	0	0	111.8	N264 I265 P284 Q285 L290	N264-T288 VanDerWaalsContact ND2-CG2 3.3Å; N264-T288 WeakPolarHBondContact ND2-CG2 3.38Å; N264-T288 WeakPolarHBondContact O-CB 3.11Å; I265-T288 HydrophobicContact CG1-CG2 4.17Å; P284-T288 PolarHBondContact O-N 3.41Å; Q285-T288 PolarHBondContact O-N 3.2Å; Q285-T288 PolarHBondContact O-OG1 3.14Å; Q285-T288 PolarHBondContact OE1-OG1 2.99Å; T288-L290 PolarHBondContact O-N 3.09Å
289	T	89.4	Confident	95	Very high	106 Å²	106	38.2 Å²	38.2	65%	0.65	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.8	175.5	62.1	0	0	0	0	114	E286 L287	E286-T289 PolarHBondContact O-OG1 2.97Å; L287-T289 VanDerWaalsContact C-N 3.28Å; L287-T289 PolarHBondContact O-N 3.26Å
290	L	93.5	Very high	95.2	Very high	46 Å²	46	36.5 Å²	36.5	24%	0.241	20%	0.195	C	C	.	.	S	Bend	trans	-80.3	146.6	-178.2	-59.2	174.8	0	0	0	111.1	L287 T288 V292 R304	L287-L290 HydrophobicContact CB-CD1 4.46Å; L287-L290 HydrophobicContact CD2-CD1 3.85Å; L287-L290 WeakPolarHBondContact O-CB 3.37Å; L287-L290 PolarHBondContact O-N 3.15Å; T288-L290 PolarHBondContact O-N 3.09Å; L290-V292 PolarHBondContact O-N 2.77Å; L290-R304 HydrophobicContact CD1-CB 3.66Å
291	P	94.4	Very high	95.4	Very high	94 Å²	94	40.5 Å²	40.5	61%	0.61	21%	0.212	S	C	*	.	S	Bend	trans	-65.2	-29.2	177.9	26	-34.9	0	0	0	112.8	C267	C267-P291 WeakPolarHBondContact CB-O 3.26Å
292	V	97	Very high	95.5	Very high	15 Å²	15	44 Å²	44	9%	0.091	23%	0.226	C	C	.	.			trans	-142.6	127.1	178.7	-174	0	0	0	0	110.1	C267 E269 L290 Y294	C267-V292 HydrophobicContact CB-CG2 4.26Å; C267-V292 WeakPolarHBondContact O-CA 3.41Å; E269-V292 HydrophobicContact CB-CG1 3.81Å; L290-V292 PolarHBondContact O-N 2.77Å; V292-Y294 HydrophobicContact CB-CE2 3.84Å; V292-Y294 HydrophobicContact CG1-CD1 4.41Å; V292-Y294 HydrophobicContact CG1-CD2 4.28Å; V292-Y294 HydrophobicContact CG1-CE1 4.03Å; V292-Y294 HydrophobicContact CG1-CE2 3.87Å; V292-Y294 WeakPolarHBondContact O-CD2 3.44Å; V292-Y294 WeakPolarHBondContact O-CE2 3.4Å
293	L	97.7	Very high	95.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.4	169	-178.9	61.9	0	0	0	109.8	I265 C267 I268 E269 Y283 L287 L295	I265-L293 HydrophobicContact CD1-CD2 4.1Å; I265-L293 HydrophobicContact CG2-CB 4.31Å; C267-L293 PolarHBondContact O-N 2.82Å; I268-L293 CarbonylContact C-O 3.58Å; I268-L293 VanDerWaalsContact CA-O 3.31Å; I268-L293 WeakPolarHBondContact CA-O 3.32Å; I268-L293 HydrophobicContact CG1-CB 4.33Å; I268-L293 HydrophobicContact CG1-CD2 4.47Å; E269-L293 PolarHBondContact N-O 3.43Å; Y283-L293 HydrophobicContact CD1-CD2 3.64Å; Y283-L293 HydrophobicContact CD2-CD2 4.15Å; Y283-L293 HydrophobicContact CE1-CD2 3.67Å; Y283-L293 HydrophobicContact CE2-CD2 4.15Å; Y283-L293 HydrophobicContact CG-CD2 3.87Å; L287-L293 HydrophobicContact CB-CD1 4Å; L287-L293 HydrophobicContact CD1-CD1 4.02Å; L287-L293 HydrophobicContact CG-CD1 4.47Å; L293-L295 HydrophobicContact CD2-CD1 3.99Å; L293-L295 HydrophobicContact CG-CD1 3.68Å
294	Y	98.2	Very high	95.5	Very high	32 Å²	32	52.1 Å²	52.1	13%	0.125	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.2	-174.4	-64.8	-93.6	0	0	0	111	E269 V292 Y302 G303 S305 L306 L309	E269-Y294 HydrophobicContact CB-CD1 3.84Å; E269-Y294 HydrophobicContact CB-CE1 4.15Å; E269-Y294 HydrophobicContact CG-CD1 4.25Å; E269-Y294 HydrophobicContact CG-CE1 4.42Å; E269-Y294 WeakPolarHBondContact OE1-CD1 3.5Å; E269-Y294 VanDerWaalsContact OE1-CE1 3.31Å; E269-Y294 WeakPolarHBondContact OE1-CE1 3.46Å; V292-Y294 HydrophobicContact CB-CE2 3.84Å; V292-Y294 HydrophobicContact CG1-CD1 4.41Å; V292-Y294 HydrophobicContact CG1-CD2 4.28Å; V292-Y294 HydrophobicContact CG1-CE1 4.03Å; V292-Y294 HydrophobicContact CG1-CE2 3.87Å; V292-Y294 WeakPolarHBondContact O-CD2 3.44Å; V292-Y294 WeakPolarHBondContact O-CE2 3.4Å; Y294-Y302 CarbonylContact O-C 3.48Å; Y294-Y302 VanDerWaalsContact O-CA 3.25Å; Y294-Y302 WeakPolarHBondContact O-CA 3.37Å; Y294-G303 PolarHBondContact N-O 3.34Å; Y294-G303 VanDerWaalsContact N-O 3.12Å; Y294-G303 PolarHBondContact O-N 3.31Å; Y294-S305 VanDerWaalsContact CD2-C 3.49Å; Y294-L306 HydrophobicContact CD1-CB 4.35Å; Y294-L306 HydrophobicContact CD1-CD1 4.27Å; Y294-L306 HydrophobicContact CE1-CB 3.81Å; Y294-L306 HydrophobicContact CE1-CD1 4.08Å; Y294-L306 HydrophobicContact CE1-CG 4.49Å; Y294-L309 HydrophobicContact CD1-CD2 4.25Å
295	L	98.4	Very high	95.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.8	178.1	-84.1	61.7	0	0	0	111	I268 E269 L270 L293 E297 K301 L352	I268-L295 HydrophobicContact CG2-CD1 3.99Å; I268-L295 HydrophobicContact CG2-CD2 4.23Å; E269-L295 PolarHBondContact O-N 2.89Å; L270-L295 HydrophobicContact CD1-CB 3.73Å; L270-L295 HydrophobicContact CD1-CD2 4.43Å; L293-L295 HydrophobicContact CD2-CD1 3.99Å; L293-L295 HydrophobicContact CG-CD1 3.68Å; L295-E297 PolarHBondContact O-N 3.5Å; L295-K301 WeakPolarHBondContact CA-O 3.41Å; L295-L352 HydrophobicContact CD2-CB 4.35Å; L295-L352 HydrophobicContact CD2-CD1 3.96Å; L295-L352 HydrophobicContact CD2-CD2 4.29Å; L295-L352 HydrophobicContact CD2-CG 4.43Å
296	C	98.1	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.249	C	C	.	.			trans	-67.8	125.6	164.7	-179.3	0	0	0	0	110	F298 C299 L300 K301 L309 H312	C296-F298 PolarHBondContact O-N 3.48Å; C296-C299 VanDerWaalsContact SG-SG 3.65Å; C296-L300 WeakPolarHBondContact O-CA 3.27Å; C296-L300 PolarHBondContact O-N 3.3Å; C296-K301 PolarHBondContact N-O 3.37Å; C296-L309 HydrophobicContact CB-CD1 4.1Å; C296-H312 VanDerWaalsContact CB-NE2 3.32Å; C296-H312 WeakPolarHBondContact CB-NE2 3.46Å; C296-H312 PolarHBondContact SG-NE2 2.84Å
297	E	96.6	Very high	96.1	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.112	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.2	-177.8	-167.6	174.1	-147.6	0	0	113.5	L270 L295 H383 I384	L270-E297 HydrophobicContact CD1-CB 4.34Å; L270-E297 HydrophobicContact CD1-CG 4.5Å; L295-E297 PolarHBondContact O-N 3.5Å; E297-H383 IonicContact OE1-CG 3.9Å; E297-H383 IonicContact OE1-ND1 3.53Å; E297-H383 PolarHBondContact OE1-ND1 2.82Å; E297-H383 IonicContact OE2-CE1 3.86Å; E297-H383 IonicContact OE2-CG 2.75Å; E297-H383 IonicContact OE2-ND1 2.7Å; E297-H383 PolarHBondContact OE2-ND1 2.88Å; E297-I384 HydrophobicContact CG-CG2 4.45Å
298	F	97.8	Very high	96.2	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.088	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-39.6	-175.6	-56.1	-62.4	0	0	0	114.3	C296 L318 R319 Y345	C296-F298 PolarHBondContact O-N 3.48Å; F298-L318 HydrophobicContact CB-CB 4.09Å; F298-L318 WeakPolarHBondContact CB-O 3.35Å; F298-L318 VanDerWaalsContact CD2-O 3.31Å; F298-L318 WeakPolarHBondContact CD2-O 3.47Å; F298-L318 VanDerWaalsContact CG-O 3.29Å; F298-L318 WeakPolarHBondContact CG-O 3.31Å; F298-R319 VanDerWaalsContact CD1-C 3.49Å; F298-Y345 VanDerWaalsContact O-CE2 3.3Å; F298-Y345 WeakPolarHBondContact O-CE2 3.17Å
299	C	97.8	Very high	96.5	Very high	18 Å²	18	51.5 Å²	51.5	12%	0.122	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-4	-178.6	79.9	0	0	0	0	113.8	C296 K301 H312 L318	C296-C299 VanDerWaalsContact SG-SG 3.65Å; C299-K301 PolarHBondContact O-N 2.9Å; C299-K301 WeakPolarHBondContact SG-CB 3.29Å; C299-K301 PolarHBondContact SG-N 3.17Å; C299-H312 PolarHBondContact SG-CE1 2.91Å; C299-H312 PolarHBondContact SG-NE2 2.89Å; C299-L318 HydrophobicContact CB-CD1 3.54Å
300	L	98.4	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.			trans	59.7	10.1	-178.4	-52.8	179.7	0	0	0	115	L270 C296 Y302 Y345 N348 L349 L352 I384	L270-L300 HydrophobicContact CD1-CD2 4.19Å; C296-L300 WeakPolarHBondContact O-CA 3.27Å; C296-L300 PolarHBondContact O-N 3.3Å; L300-Y302 PolarHBondContact O-N 2.85Å; L300-Y345 HydrophobicContact CB-CE2 4.44Å; L300-Y345 HydrophobicContact CD1-CD2 4.35Å; L300-Y345 HydrophobicContact CD1-CE1 4.06Å; L300-Y345 HydrophobicContact CD1-CE2 3.74Å; L300-Y345 HydrophobicContact CG-CD2 4.3Å; L300-Y345 HydrophobicContact CG-CE2 3.69Å; L300-N348 HydrophobicContact CB-CB 3.67Å; L300-N348 WeakPolarHBondContact O-CB 3.24Å; L300-N348 PolarHBondContact O-ND2 3.42Å; L300-L349 HydrophobicContact CD1-CB 3.71Å; L300-L349 HydrophobicContact CD1-CD1 3.84Å; L300-L349 HydrophobicContact CD1-CG 4.34Å; L300-L352 HydrophobicContact CD2-CD2 4.28Å; L300-I384 HydrophobicContact CD1-CD1 4.49Å; L300-I384 HydrophobicContact CD2-CG2 4.46Å
301	K	98	Very high	97	Very high	122 Å²	122	56.9 Å²	56.9	53%	0.53	27%	0.269	S	S	.	.			trans	-62.3	126.9	174.1	-173.2	171.9	-174.7	167.9	0	109.8	L295 C296 C299	L295-K301 WeakPolarHBondContact CA-O 3.41Å; C296-K301 PolarHBondContact N-O 3.37Å; C299-K301 PolarHBondContact O-N 2.9Å; C299-K301 WeakPolarHBondContact SG-CB 3.29Å; C299-K301 PolarHBondContact SG-N 3.17Å
302	Y	97.2	Very high	97.2	Very high	73 Å²	73	54.3 Å²	54.3	29%	0.286	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	155.2	178.8	51.5	-96.3	0	0	0	112.2	Y283 P284 L287 Y294 L300 N348 L351	Y283-Y302 AromaticContact CD1-CD1 3.97Å; Y283-Y302 HydrophobicContact CD1-CD1 3.97Å; Y283-Y302 HydrophobicContact CD1-CD2 4.34Å; Y283-Y302 HydrophobicContact CD1-CE1 4.23Å; Y283-Y302 HydrophobicContact CD1-CG 4Å; Y283-Y302 AromaticContact CE1-CD1 3.52Å; Y283-Y302 HydrophobicContact CE1-CD1 3.52Å; Y283-Y302 HydrophobicContact CE1-CE1 4.08Å; Y283-Y302 AromaticContact CE1-CG 3.77Å; Y283-Y302 HydrophobicContact CE1-CG 3.77Å; P284-Y302 HydrophobicContact CG-CE2 4Å; L287-Y302 HydrophobicContact CD1-CD2 3.42Å; L287-Y302 VanDerWaalsContact CD1-CD2 3.42Å; L287-Y302 HydrophobicContact CD1-CE2 3.7Å; Y294-Y302 CarbonylContact O-C 3.48Å; Y294-Y302 VanDerWaalsContact O-CA 3.25Å; Y294-Y302 WeakPolarHBondContact O-CA 3.37Å; L300-Y302 PolarHBondContact O-N 2.85Å; Y302-N348 VanDerWaalsContact CE1-OD1 3.28Å; Y302-N348 WeakPolarHBondContact CE1-OD1 3.41Å; Y302-L351 HydrophobicContact CE1-CD1 3.97Å
303	G	95.1	Very high	97.1	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.3	-179	0	0	0	0	0	113.1	Y294 S305	Y294-G303 PolarHBondContact N-O 3.34Å; Y294-G303 VanDerWaalsContact N-O 3.12Å; Y294-G303 PolarHBondContact O-N 3.31Å; G303-S305 PolarHBondContact O-N 3.36Å
304	R	95.1	Very high	97.1	Very high	178 Å²	178	62.5 Å²	62.5	67%	0.672	30%	0.296	S	S	*	.	S	Bend	trans	-77.4	-11.6	-173.5	68.4	-179.9	-175.4	177.6	2.2	116.3	L287 L290	L287-R304 HydrophobicContact CD2-CB 3.69Å; L290-R304 HydrophobicContact CD1-CB 3.66Å
305	S	96.1	Very high	97	Very high	37 Å²	37	68.2 Å²	68.2	26%	0.259	32%	0.321	S	S	.	.	S	Bend	trans	-159.2	157.8	-176.2	71.1	0	0	0	0	111.9	Y294 G303 K307 C308 L309	Y294-S305 VanDerWaalsContact CD2-C 3.49Å; G303-S305 PolarHBondContact O-N 3.36Å; S305-K307 VanDerWaalsContact C-N 3.26Å; S305-K307 PolarHBondContact O-N 3Å; S305-C308 WeakPolarHBondContact O-CB 3.32Å; S305-C308 PolarHBondContact O-N 2.93Å; S305-C308 PolarHBondContact OG-N 2.89Å; S305-C308 PolarHBondContact OG-SG 2.98Å; S305-L309 PolarHBondContact O-N 3.28Å; S305-L309 VanDerWaalsContact O-N 3.1Å
306	L	96.4	Very high	96.9	Very high	76 Å²	76	68.7 Å²	68.7	40%	0.398	32%	0.324	S	S	.	.	H	α-helix	trans	-55.6	-40.2	173.6	-177.2	59.8	0	0	0	112.3	Y294 C308 L309 Q310	Y294-L306 HydrophobicContact CD1-CB 4.35Å; Y294-L306 HydrophobicContact CD1-CD1 4.27Å; Y294-L306 HydrophobicContact CE1-CB 3.81Å; Y294-L306 HydrophobicContact CE1-CD1 4.08Å; Y294-L306 HydrophobicContact CE1-CG 4.49Å; L306-C308 VanDerWaalsContact C-N 3.31Å; L306-C308 PolarHBondContact O-N 2.8Å; L306-L309 PolarHBondContact O-N 2.79Å; L306-L309 VanDerWaalsContact O-N 3.16Å; L306-Q310 HydrophobicContact CD1-CG 4.37Å; L306-Q310 HydrophobicContact CG-CG 4.4Å; L306-Q310 WeakPolarHBondContact O-CG 3.41Å; L306-Q310 PolarHBondContact O-N 2.74Å
307	K	97.4	Very high	96.8	Very high	162 Å²	162	75.7 Å²	75.7	70%	0.704	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-38.4	176.7	-68.6	-179.1	-178.5	176.9	0	112.2	S305 R311	S305-K307 VanDerWaalsContact C-N 3.26Å; S305-K307 PolarHBondContact O-N 3Å; K307-R311 WeakPolarHBondContact O-CB 3.38Å; K307-R311 PolarHBondContact O-N 3.47Å; K307-R311 VanDerWaalsContact O-N 3.12Å
308	C	96.8	Very high	96.9	Very high	40 Å²	40	77.3 Å²	77.3	27%	0.27	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-43.8	174.8	-68.4	0	0	0	0	111.2	S305 L306 R311 H312	S305-C308 WeakPolarHBondContact O-CB 3.32Å; S305-C308 PolarHBondContact O-N 2.93Å; S305-C308 PolarHBondContact OG-N 2.89Å; S305-C308 PolarHBondContact OG-SG 2.98Å; L306-C308 VanDerWaalsContact C-N 3.31Å; L306-C308 PolarHBondContact O-N 2.8Å; C308-R311 PolarHBondContact O-N 2.85Å; C308-H312 WeakPolarHBondContact O-CB 3.32Å; C308-H312 PolarHBondContact O-N 2.62Å
309	L	96.9	Very high	96.9	Very high	19 Å²	19	81.3 Å²	81.3	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-62.7	-48.8	177.2	177.5	61.4	0	0	0	111.1	Y294 C296 S305 L306 R311 H312 L313	Y294-L309 HydrophobicContact CD1-CD2 4.25Å; C296-L309 HydrophobicContact CB-CD1 4.1Å; S305-L309 PolarHBondContact O-N 3.28Å; S305-L309 VanDerWaalsContact O-N 3.1Å; L306-L309 PolarHBondContact O-N 2.79Å; L306-L309 VanDerWaalsContact O-N 3.16Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 3.01Å; L309-H312 CarbonylContact O-C 3.46Å; L309-H312 WeakPolarHBondContact O-CA 3.2Å; L309-H312 WeakPolarHBondContact O-CB 3.49Å; L309-H312 PolarHBondContact O-N 2.92Å; L309-L313 HydrophobicContact CD1-CD1 4.35Å; L309-L313 HydrophobicContact CD1-CD2 4.35Å; L309-L313 HydrophobicContact CD1-CG 4.1Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 HydrophobicContact CG-CG 4.29Å; L309-L313 WeakPolarHBondContact O-CG 3.45Å; L309-L313 PolarHBondContact O-N 3.16Å
310	Q	96.9	Very high	96.9	Very high	105 Å²	105	83.9 Å²	83.9	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-55.2	-48	177.5	-73.6	171.9	-29.8	0	0	111.7	L306 H312 L313 T314	L306-Q310 HydrophobicContact CD1-CG 4.37Å; L306-Q310 HydrophobicContact CG-CG 4.4Å; L306-Q310 WeakPolarHBondContact O-CG 3.41Å; L306-Q310 PolarHBondContact O-N 2.74Å; Q310-H312 VanDerWaalsContact C-N 3.3Å; Q310-H312 PolarHBondContact O-N 3.46Å; Q310-L313 PolarHBondContact O-N 3.29Å; Q310-T314 WeakPolarHBondContact O-CG2 3.33Å; Q310-T314 PolarHBondContact O-N 2.72Å; Q310-T314 VanDerWaalsContact O-N 3.16Å
311	R	97.4	Very high	96.9	Very high	161 Å²	161	84.1 Å²	84.1	61%	0.608	40%	0.397	S	S	*	.	H	α-helix	trans	-61.6	-38.5	175.6	-169.8	-172.9	-57.9	161.4	1.2	112.1	K307 C308 L309 T314	K307-R311 WeakPolarHBondContact O-CB 3.38Å; K307-R311 PolarHBondContact O-N 3.47Å; K307-R311 VanDerWaalsContact O-N 3.12Å; C308-R311 PolarHBondContact O-N 2.85Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 3.01Å; R311-T314 PolarHBondContact O-N 2.64Å; R311-T314 PolarHBondContact O-OG1 3.48Å
312	H	97.5	Very high	96.8	Very high	39 Å²	39	79.4 Å²	79.4	18%	0.181	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-44.2	174.9	167.8	68.6	0	0	0	111.6	C296 C299 C308 L309 Q310 T314 K315 C316	C296-H312 VanDerWaalsContact CB-NE2 3.32Å; C296-H312 WeakPolarHBondContact CB-NE2 3.46Å; C296-H312 PolarHBondContact SG-NE2 2.84Å; C299-H312 PolarHBondContact SG-CE1 2.91Å; C299-H312 PolarHBondContact SG-NE2 2.89Å; C308-H312 WeakPolarHBondContact O-CB 3.32Å; C308-H312 PolarHBondContact O-N 2.62Å; L309-H312 CarbonylContact O-C 3.46Å; L309-H312 WeakPolarHBondContact O-CA 3.2Å; L309-H312 WeakPolarHBondContact O-CB 3.49Å; L309-H312 PolarHBondContact O-N 2.92Å; Q310-H312 VanDerWaalsContact C-N 3.3Å; Q310-H312 PolarHBondContact O-N 3.46Å; H312-T314 PolarHBondContact O-N 3.05Å; H312-K315 CarbonylContact O-C 3.56Å; H312-K315 PolarHBondContact O-N 2.97Å; H312-C316 WeakPolarHBondContact O-CB 3.28Å; H312-C316 PolarHBondContact O-N 3.22Å
313	L	95.6	Very high	96.8	Very high	74 Å²	74	77 Å²	77	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-30.8	179.5	-66.9	175.1	0	0	0	112.8	L309 Q310 K315	L309-L313 HydrophobicContact CD1-CD1 4.35Å; L309-L313 HydrophobicContact CD1-CD2 4.35Å; L309-L313 HydrophobicContact CD1-CG 4.1Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 HydrophobicContact CG-CG 4.29Å; L309-L313 WeakPolarHBondContact O-CG 3.45Å; L309-L313 PolarHBondContact O-N 3.16Å; Q310-L313 PolarHBondContact O-N 3.29Å; L313-K315 PolarHBondContact O-N 3.07Å
314	T	96.8	Very high	96.9	Very high	115 Å²	115	81.2 Å²	81.2	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.9	173.2	63.4	0	0	0	0	114.4	Q310 R311 H312	Q310-T314 WeakPolarHBondContact O-CG2 3.33Å; Q310-T314 PolarHBondContact O-N 2.72Å; Q310-T314 VanDerWaalsContact O-N 3.16Å; R311-T314 PolarHBondContact O-N 2.64Å; R311-T314 PolarHBondContact O-OG1 3.48Å; H312-T314 PolarHBondContact O-N 3.05Å
315	K	97.2	Very high	97.1	Very high	152 Å²	152	76.3 Å²	76.3	66%	0.661	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-8.1	-176.4	-56.9	-178.1	-177.6	-168.6	0	113.3	H312 L313	H312-K315 CarbonylContact O-C 3.56Å; H312-K315 PolarHBondContact O-N 2.97Å; L313-K315 PolarHBondContact O-N 3.07Å
316	C	96.6	Very high	97.2	Very high	10 Å²	10	75 Å²	75	7%	0.068	37%	0.369	C	S	.	.			trans	-88.8	115.8	-176	-173.8	0	0	0	0	108	H312 R319	H312-C316 WeakPolarHBondContact O-CB 3.28Å; H312-C316 PolarHBondContact O-N 3.22Å; C316-R319 PolarHBondContact O-NH1 3.06Å
317	D	96	Very high	97.3	Very high	149 Å²	149	71.6 Å²	71.6	80%	0.797	35%	0.351	S	S	*	.			trans	-90.4	-9.1	179.6	-56.5	-40.8	0	0	0	112.6	R319	D317-R319 PolarHBondContact O-N 2.93Å
318	L	97.2	Very high	97.4	Very high	58 Å²	58	68.7 Å²	68.7	30%	0.304	34%	0.336	S	S	.	.			trans	-69.9	131.9	178.4	-71.9	174.6	0	0	0	111.3	F298 C299 P322	F298-L318 HydrophobicContact CB-CB 4.09Å; F298-L318 WeakPolarHBondContact CB-O 3.35Å; F298-L318 VanDerWaalsContact CD2-O 3.31Å; F298-L318 WeakPolarHBondContact CD2-O 3.47Å; F298-L318 VanDerWaalsContact CG-O 3.29Å; F298-L318 WeakPolarHBondContact CG-O 3.31Å; C299-L318 HydrophobicContact CB-CD1 3.54Å; L318-P322 HydrophobicContact CD2-CB 4.42Å
319	R	97.6	Very high	97.4	Very high	104 Å²	104	71.3 Å²	71.3	39%	0.392	34%	0.343	S	S	.	.	S	Bend	trans	-127.5	7	172.6	-63.4	-61.9	-177.9	-83.2	-5.3	112.9	F298 C316 D317 K380 G381 F382	F298-R319 VanDerWaalsContact CD1-C 3.49Å; C316-R319 PolarHBondContact O-NH1 3.06Å; D317-R319 PolarHBondContact O-N 2.93Å; R319-K380 WeakPolarHBondContact CD-O 3.46Å; R319-G381 WeakPolarHBondContact O-CA 3.11Å; R319-F382 PolarHBondContact O-N 2.88Å
320	H	98.1	Very high	97.4	Very high	72 Å²	72	73.4 Å²	73.4	33%	0.333	37%	0.369	S	S	.	.	S	Bend	trans	-154.8	164.2	175.7	60.9	83.9	0	0	0	109.8	F335 F382	H320-F335 HydrophobicContact CB-CE1 3.93Å; H320-F335 HydrophobicContact CB-CE2 4.38Å; H320-F335 HydrophobicContact CB-CZ 3.73Å; H320-F335 AromaticContact CG-CE1 3.94Å; H320-F335 AromaticContact ND1-CE1 3.64Å; H320-F382 HydrophobicContact CB-CB 3.83Å; H320-F382 HydrophobicContact CB-CD2 3.52Å; H320-F382 HydrophobicContact CB-CE2 4.2Å; H320-F382 HydrophobicContact CB-CG 3.84Å
321	P	98.4	Very high	97.4	Very high	4 Å²	4	72.1 Å²	72.1	3%	0.026	37%	0.369	C	S	.	.			trans	-56.8	138.7	172.6	-22.4	32.9	0	0	0	111.4	G323 F335 I337 Y345 V373 T375	P321-G323 VanDerWaalsContact C-N 3.29Å; P321-G323 PolarHBondContact O-N 2.82Å; P321-F335 HydrophobicContact CB-CB 3.94Å; P321-F335 HydrophobicContact CB-CD2 4.37Å; P321-F335 HydrophobicContact CB-CG 4.06Å; P321-F335 HydrophobicContact CG-CB 4.27Å; P321-F335 HydrophobicContact CG-CD2 3.86Å; P321-F335 HydrophobicContact CG-CE2 4.46Å; P321-F335 HydrophobicContact CG-CG 4.07Å; P321-I337 HydrophobicContact CB-CD1 3.66Å; P321-Y345 HydrophobicContact CB-CE1 4.38Å; P321-V373 HydrophobicContact CB-CB 4.26Å; P321-V373 HydrophobicContact CB-CG1 4.26Å; P321-V373 HydrophobicContact CG-CB 4.1Å; P321-V373 HydrophobicContact CG-CG1 3.67Å; P321-T375 HydrophobicContact CG-CG2 3.65Å
322	P	97.4	Very high	97.4	Very high	23 Å²	23	65 Å²	65	15%	0.149	34%	0.343	C	S	.	.	S	Bend	trans	-77.7	76.8	-174.6	32.5	-36	0	0	0	111.2	L318 N342 Y345	L318-P322 HydrophobicContact CD2-CB 4.42Å; P322-N342 HydrophobicContact CG-CB 4.41Å; P322-N342 PolarHBondContact O-ND2 3.42Å; P322-N342 PolarHBondContact O-OD1 3.45Å; P322-Y345 VanDerWaalsContact CD-CE2 3.49Å; P322-Y345 HydrophobicContact CG-CD1 4.07Å; P322-Y345 HydrophobicContact CG-CD2 3.67Å; P322-Y345 HydrophobicContact CG-CE2 4.33Å; P322-Y345 HydrophobicContact CG-CG 3.51Å
323	G	96.6	Very high	97.5	Very high	22 Å²	22	63.1 Å²	63.1	23%	0.227	33%	0.334	C	S	.	.	S	Bend	trans	-160.6	-175.5	-179.1	0	0	0	0	0	111.7	P321 E336	P321-G323 VanDerWaalsContact C-N 3.29Å; P321-G323 PolarHBondContact O-N 2.82Å; G323-E336 CarbonylContact C-O 3.43Å; G323-E336 VanDerWaalsContact CA-O 3.23Å; G323-E336 WeakPolarHBondContact CA-O 3.36Å
324	N	97.7	Very high	97.6	Very high	105 Å²	105	59.6 Å²	59.6	56%	0.561	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.8	177.5	-66.6	-21.9	0	0	0	109.3	I326 F335 E336	N324-I326 HydrophobicContact CB-CG2 4.22Å; N324-I326 PolarHBondContact O-N 3.22Å; N324-F335 CarbonylContact O-C 3.59Å; N324-F335 VanDerWaalsContact O-CA 3.27Å; N324-F335 WeakPolarHBondContact O-CA 3.46Å; N324-E336 PolarHBondContact N-O 3.05Å; N324-E336 PolarHBondContact O-N 3.21Å
325	E	98.5	Very high	97.7	Very high	76 Å²	76	54.3 Å²	54.3	36%	0.355	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	109.4	166.4	-171.9	177.3	-155.2	0	0	108.1	R328 S333 F334 F335	E325-R328 WeakPolarHBondContact OE1-CD 3.36Å; E325-R328 IonicContact OE1-NH1 3.88Å; E325-R328 IonicContact OE2-NH1 3Å; E325-S333 WeakPolarHBondContact OE1-CB 3.42Å; E325-S333 PolarHBondContact OE1-OG 3.27Å; E325-F334 WeakPolarHBondContact CA-O 3.31Å; E325-F335 HydrophobicContact CB-CD1 4.06Å; E325-F335 HydrophobicContact CB-CE1 3.71Å; E325-F335 HydrophobicContact CB-CZ 4.15Å; E325-F335 HydrophobicContact CG-CE1 4.27Å; E325-F335 HydrophobicContact CG-CZ 4.2Å
326	I	98.5	Very high	97.8	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-7.9	-177.7	59.1	160.3	0	0	0	112.4	N324 F334 E336 Y372 F421 L425 L533 H534 F535	N324-I326 HydrophobicContact CB-CG2 4.22Å; N324-I326 PolarHBondContact O-N 3.22Å; I326-F334 HydrophobicContact CG1-CB 4.44Å; I326-F334 PolarHBondContact N-O 2.89Å; I326-E336 HydrophobicContact CD1-CB 4.1Å; I326-E336 HydrophobicContact CG1-CB 4.3Å; I326-E336 HydrophobicContact CG2-CB 3.91Å; I326-Y372 HydrophobicContact CD1-CD1 3.85Å; I326-Y372 HydrophobicContact CD1-CE1 3.79Å; I326-F421 HydrophobicContact CD1-CE1 3.9Å; I326-F421 HydrophobicContact CD1-CZ 3.72Å; I326-F421 HydrophobicContact CG1-CZ 4.08Å; I326-L425 HydrophobicContact CD1-CD2 4.16Å; I326-L533 HydrophobicContact CD1-CD1 4.39Å; I326-L533 WeakPolarHBondContact O-CD1 3.33Å; I326-H534 PolarHBondContact O-N 3.24Å; I326-F535 HydrophobicContact CD1-CD2 4.07Å
327	Y	98.7	Very high	97.9	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.02	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.6	176.6	172.1	-85.5	0	0	0	110.3	K329 I332 S333 F334 F421 I528 D529 C532 L533	Y327-K329 HydrophobicContact CE1-CB 3.96Å; Y327-K329 WeakPolarHBondContact OH-CB 3.4Å; Y327-I332 HydrophobicContact CE1-CG2 4.47Å; Y327-S333 CarbonylContact O-C 3.55Å; Y327-S333 WeakPolarHBondContact O-CA 3.3Å; Y327-F334 AromaticContact CD1-CD2 3.83Å; Y327-F334 HydrophobicContact CD1-CD2 3.83Å; Y327-F334 HydrophobicContact CE1-CD2 4.44Å; Y327-F334 HydrophobicContact CG-CD2 4.43Å; Y327-F334 PolarHBondContact O-N 3.36Å; Y327-F421 HydrophobicContact CD1-CE2 4.42Å; Y327-F421 AromaticContact CD2-CE2 3.93Å; Y327-F421 HydrophobicContact CD2-CE2 3.93Å; Y327-F421 HydrophobicContact CG-CD2 4.47Å; Y327-F421 AromaticContact CG-CE2 3.72Å; Y327-F421 HydrophobicContact CG-CE2 3.72Å; Y327-I528 HydrophobicContact CD2-CG2 4.45Å; Y327-I528 HydrophobicContact CE1-CD1 4.3Å; Y327-I528 HydrophobicContact CE2-CD1 4.43Å; Y327-I528 HydrophobicContact CE2-CG2 3.83Å; Y327-D529 WeakPolarHBondContact CE2-O 3.28Å; Y327-D529 PolarHBondContact OH-N 3.29Å; Y327-C532 WeakPolarHBondContact CA-O 3.41Å; Y327-C532 HydrophobicContact CD2-CB 3.88Å; Y327-C532 WeakPolarHBondContact CD2-O 3.49Å; Y327-C532 HydrophobicContact CE2-CB 3.61Å; Y327-L533 HydrophobicContact CD2-CB 4.3Å
328	R	98.1	Very high	98	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	125.6	171.1	-171.8	178.7	-173.3	146	-2.9	111.3	E325 I332 C532	E325-R328 WeakPolarHBondContact OE1-CD 3.36Å; E325-R328 IonicContact OE1-NH1 3.88Å; E325-R328 IonicContact OE2-NH1 3Å; R328-I332 WeakPolarHBondContact CA-O 3.3Å; R328-C532 WeakPolarHBondContact O-CB 3.4Å
329	K	97.8	Very high	98	Very high	94 Å²	94	38 Å²	38	41%	0.409	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	113.7	169.6	-176.1	169.7	-179.5	166.6	0	110.3	Y327 T331 I332 D529 C532	Y327-K329 HydrophobicContact CE1-CB 3.96Å; Y327-K329 WeakPolarHBondContact OH-CB 3.4Å; K329-T331 PolarHBondContact O-N 3.13Å; K329-I332 PolarHBondContact N-O 3.43Å; K329-I332 PolarHBondContact O-N 2.85Å; K329-I332 VanDerWaalsContact O-N 3.08Å; K329-D529 HydrophobicContact CD-CB 3.65Å; K329-D529 IonicContact NZ-OD2 2.76Å; K329-D529 PolarHBondContact NZ-OD2 2.97Å; K329-C532 HydrophobicContact CB-CB 4.46Å
330	G	96.3	Very high	97.9	Very high	64 Å²	64	40.8 Å²	40.8	66%	0.66	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-120.7	-173.8	0	0	0	0	0	111
331	T	97.1	Very high	97.8	Very high	77 Å²	77	44.6 Å²	44.6	47%	0.472	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.7	177.8	57.1	0	0	0	0	113.6	K329 E376 Y377	K329-T331 PolarHBondContact O-N 3.13Å; T331-E376 CarbonylContact O-C 3.5Å; T331-E376 WeakPolarHBondContact O-CA 3.3Å; T331-Y377 PolarHBondContact O-N 3.26Å
332	I	98.4	Very high	97.8	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.9	-176.5	-57	-58.2	0	0	0	110.4	Y327 R328 K329 F334 M374 T375 E376 Y414 L417	Y327-I332 HydrophobicContact CE1-CG2 4.47Å; R328-I332 WeakPolarHBondContact CA-O 3.3Å; K329-I332 PolarHBondContact N-O 3.43Å; K329-I332 PolarHBondContact O-N 2.85Å; K329-I332 VanDerWaalsContact O-N 3.08Å; I332-F334 HydrophobicContact CG2-CE2 4.36Å; I332-M374 HydrophobicContact CG2-CG 4.11Å; I332-M374 HydrophobicContact CG2-SD 4.27Å; I332-T375 WeakPolarHBondContact CA-O 3.34Å; I332-E376 HydrophobicContact CD1-CG 3.74Å; I332-Y414 HydrophobicContact CD1-CE1 3.71Å; I332-L417 HydrophobicContact CG2-CD2 4.06Å
333	S	98.7	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.4	178.8	-43	0	0	0	0	111.3	E325 Y327 M374 T375 F382	E325-S333 WeakPolarHBondContact OE1-CB 3.42Å; E325-S333 PolarHBondContact OE1-OG 3.27Å; Y327-S333 CarbonylContact O-C 3.55Å; Y327-S333 WeakPolarHBondContact O-CA 3.3Å; S333-M374 WeakPolarHBondContact O-CA 3.49Å; S333-T375 PolarHBondContact N-O 3.38Å; S333-T375 PolarHBondContact O-N 3.23Å; S333-T375 PolarHBondContact O-OG1 3.47Å; S333-F382 WeakPolarHBondContact OG-CE1 3.47Å
334	F	98.8	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	170.5	-78.8	-108	0	0	0	111	E325 I326 Y327 I332 V373 M374 F388 L418 F421 I528	E325-F334 WeakPolarHBondContact CA-O 3.31Å; I326-F334 HydrophobicContact CG1-CB 4.44Å; I326-F334 PolarHBondContact N-O 2.89Å; Y327-F334 AromaticContact CD1-CD2 3.83Å; Y327-F334 HydrophobicContact CD1-CD2 3.83Å; Y327-F334 HydrophobicContact CE1-CD2 4.44Å; Y327-F334 HydrophobicContact CG-CD2 4.43Å; Y327-F334 PolarHBondContact O-N 3.36Å; I332-F334 HydrophobicContact CG2-CE2 4.36Å; F334-V373 WeakPolarHBondContact CA-O 3.22Å; F334-M374 HydrophobicContact CD1-CB 4.09Å; F334-M374 HydrophobicContact CD2-CB 4.44Å; F334-M374 HydrophobicContact CD2-CG 4.22Å; F334-M374 HydrophobicContact CE1-CB 3.77Å; F334-M374 HydrophobicContact CE1-CG 4.28Å; F334-M374 HydrophobicContact CE1-SD 4.4Å; F334-M374 HydrophobicContact CE2-CB 4.11Å; F334-M374 HydrophobicContact CE2-CG 3.72Å; F334-M374 HydrophobicContact CE2-SD 3.69Å; F334-M374 HydrophobicContact CG-CB 4.43Å; F334-M374 HydrophobicContact CZ-CB 3.78Å; F334-M374 HydrophobicContact CZ-CG 3.76Å; F334-M374 HydrophobicContact CZ-SD 3.51Å; F334-M374 VanDerWaalsContact CZ-SD 3.51Å; F334-F388 HydrophobicContact CE1-CE1 4.2Å; F334-L418 HydrophobicContact CE1-CD2 3.64Å; F334-L418 HydrophobicContact CZ-CD2 3.91Å; F334-F421 HydrophobicContact CB-CE1 3.93Å; F334-F421 HydrophobicContact CB-CE2 4.19Å; F334-F421 HydrophobicContact CB-CZ 3.69Å; F334-F421 AromaticContact CD1-CD1 3.49Å; F334-F421 HydrophobicContact CD1-CD1 3.49Å; F334-F421 VanDerWaalsContact CD1-CD1 3.49Å; F334-F421 HydrophobicContact CD1-CD2 4.37Å; F334-F421 AromaticContact CD1-CE1 3.61Å; F334-F421 HydrophobicContact CD1-CE1 3.61Å; F334-F421 HydrophobicContact CD1-CE2 4.47Å; F334-F421 AromaticContact CD1-CG 3.88Å; F334-F421 HydrophobicContact CD1-CG 3.88Å; F334-F421 HydrophobicContact CD1-CZ 4.11Å; F334-F421 AromaticContact CD2-CD2 3.95Å; F334-F421 HydrophobicContact CD2-CD2 3.95Å; F334-F421 AromaticContact CD2-CE2 4Å; F334-F421 HydrophobicContact CD2-CE2 4Å; F334-F421 HydrophobicContact CD2-CG 4.2Å; F334-F421 HydrophobicContact CD2-CZ 4.29Å; F334-F421 HydrophobicContact CE1-CB 3.85Å; F334-F421 AromaticContact CE1-CD1 3.56Å; F334-F421 HydrophobicContact CE1-CD1 3.56Å; F334-F421 HydrophobicContact CE1-CD2 4.36Å; F334-F421 HydrophobicContact CE1-CE1 4.18Å; F334-F421 AromaticContact CE1-CG 3.65Å; F334-F421 HydrophobicContact CE1-CG 3.65Å; F334-F421 HydrophobicContact CE2-CB 4.25Å; F334-F421 AromaticContact CE2-CD2 3.97Å; F334-F421 HydrophobicContact CE2-CD2 3.97Å; F334-F421 HydrophobicContact CE2-CE2 4.48Å; F334-F421 HydrophobicContact CE2-CG 4.01Å; F334-F421 AromaticContact CG-CD1 3.98Å; F334-F421 HydrophobicContact CG-CD1 3.98Å; F334-F421 HydrophobicContact CG-CD2 4.15Å; F334-F421 AromaticContact CG-CE1 3.81Å; F334-F421 HydrophobicContact CG-CE1 3.81Å; F334-F421 AromaticContact CG-CE2 3.99Å; F334-F421 HydrophobicContact CG-CE2 3.99Å; F334-F421 HydrophobicContact CG-CG 4.14Å; F334-F421 AromaticContact CG-CZ 3.81Å; F334-F421 HydrophobicContact CG-CZ 3.81Å; F334-F421 HydrophobicContact CZ-CB 3.67Å; F334-F421 HydrophobicContact CZ-CD1 4.14Å; F334-F421 HydrophobicContact CZ-CD2 4.16Å; F334-F421 AromaticContact CZ-CG 3.72Å; F334-F421 HydrophobicContact CZ-CG 3.72Å; F334-I528 HydrophobicContact CE2-CD1 4.09Å
335	F	98.8	Very high	97.9	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.9	175.7	-66.8	-96.8	0	0	0	110.6	H320 P321 N324 E325 Y372 V373 T375 F382	H320-F335 HydrophobicContact CB-CE1 3.93Å; H320-F335 HydrophobicContact CB-CE2 4.38Å; H320-F335 HydrophobicContact CB-CZ 3.73Å; H320-F335 AromaticContact CG-CE1 3.94Å; H320-F335 AromaticContact ND1-CE1 3.64Å; P321-F335 HydrophobicContact CB-CB 3.94Å; P321-F335 HydrophobicContact CB-CD2 4.37Å; P321-F335 HydrophobicContact CB-CG 4.06Å; P321-F335 HydrophobicContact CG-CB 4.27Å; P321-F335 HydrophobicContact CG-CD2 3.86Å; P321-F335 HydrophobicContact CG-CE2 4.46Å; P321-F335 HydrophobicContact CG-CG 4.07Å; N324-F335 CarbonylContact O-C 3.59Å; N324-F335 VanDerWaalsContact O-CA 3.27Å; N324-F335 WeakPolarHBondContact O-CA 3.46Å; E325-F335 HydrophobicContact CB-CD1 4.06Å; E325-F335 HydrophobicContact CB-CE1 3.71Å; E325-F335 HydrophobicContact CB-CZ 4.15Å; E325-F335 HydrophobicContact CG-CE1 4.27Å; E325-F335 HydrophobicContact CG-CZ 4.2Å; F335-Y372 WeakPolarHBondContact O-CA 3.49Å; F335-V373 PolarHBondContact N-O 2.83Å; F335-V373 PolarHBondContact O-N 3.18Å; F335-T375 HydrophobicContact CD2-CG2 4.11Å; F335-T375 HydrophobicContact CE2-CG2 4.19Å; F335-F382 HydrophobicContact CE2-CB 4.24Å; F335-F382 AromaticContact CE2-CD1 3.6Å; F335-F382 HydrophobicContact CE2-CD1 3.6Å; F335-F382 HydrophobicContact CE2-CE1 4.05Å; F335-F382 HydrophobicContact CE2-CG 4.02Å; F335-F382 AromaticContact CZ-CD1 3.67Å; F335-F382 HydrophobicContact CZ-CD1 3.67Å; F335-F382 HydrophobicContact CZ-CD2 4.36Å; F335-F382 AromaticContact CZ-CE1 3.77Å; F335-F382 HydrophobicContact CZ-CE1 3.77Å; F335-F382 HydrophobicContact CZ-CE2 4.44Å; F335-F382 AromaticContact CZ-CG 3.95Å; F335-F382 HydrophobicContact CZ-CG 3.95Å; F335-F382 HydrophobicContact CZ-CZ 4.15Å
336	E	98.6	Very high	97.8	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.5	169.7	-175.1	-155.8	-144	0	0	109.6	G323 N324 I326 Y372 K538	G323-E336 CarbonylContact C-O 3.43Å; G323-E336 VanDerWaalsContact CA-O 3.23Å; G323-E336 WeakPolarHBondContact CA-O 3.36Å; N324-E336 PolarHBondContact N-O 3.05Å; N324-E336 PolarHBondContact O-N 3.21Å; I326-E336 HydrophobicContact CD1-CB 4.1Å; I326-E336 HydrophobicContact CG1-CB 4.3Å; I326-E336 HydrophobicContact CG2-CB 3.91Å; E336-Y372 HydrophobicContact CB-CD1 4.31Å; E336-Y372 HydrophobicContact CB-CE1 4.12Å; E336-Y372 HydrophobicContact CG-CD1 4.39Å; E336-Y372 HydrophobicContact CG-CE1 3.82Å; E336-K538 IonicContact OE1-NZ 3.32Å; E336-K538 PolarHBondContact OE1-NZ 3Å; E336-K538 IonicContact OE2-NZ 2.8Å; E336-K538 PolarHBondContact OE2-NZ 3.49Å
337	I	98.5	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.8	-178.1	-53.3	173.1	0	0	0	109	P321 G339 N342 Y345 L370 F371 V373	P321-I337 HydrophobicContact CB-CD1 3.66Å; I337-G339 PolarHBondContact O-N 2.93Å; I337-N342 HydrophobicContact CG2-CB 3.64Å; I337-Y345 HydrophobicContact CD1-CD1 3.72Å; I337-Y345 HydrophobicContact CD1-CE1 3.33Å; I337-Y345 HydrophobicContact CG2-CD1 4.47Å; I337-L370 WeakPolarHBondContact O-CA 3.21Å; I337-F371 HydrophobicContact CB-CB 4.23Å; I337-F371 PolarHBondContact N-O 3.29Å; I337-F371 PolarHBondContact O-N 3.28Å; I337-V373 HydrophobicContact CD1-CB 4.3Å; I337-V373 HydrophobicContact CD1-CG2 3.57Å
338	D	97.9	Very high	97.8	Very high	14 Å²	14	46.6 Å²	46.6	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.6	170.9	-178	-18.1	0	0	0	110.1	R340 K341 N342 L370 K392 W540	D338-R340 PolarHBondContact O-N 2.74Å; D338-R340 WeakPolarHBondContact OD1-CB 3.29Å; D338-R340 PolarHBondContact OD1-N 3.16Å; D338-K341 HydrophobicContact CB-CB 4.09Å; D338-K341 HydrophobicContact CB-CD 4.07Å; D338-K341 HydrophobicContact CB-CG 4.04Å; D338-K341 PolarHBondContact O-N 3.27Å; D338-K341 VanDerWaalsContact O-N 3.08Å; D338-N342 PolarHBondContact O-N 2.75Å; D338-L370 HydrophobicContact CB-CD2 4.11Å; D338-K392 WeakPolarHBondContact OD1-CE 3.35Å; D338-K392 IonicContact OD1-NZ 3.07Å; D338-K392 PolarHBondContact OD1-NZ 3.5Å; D338-K392 IonicContact OD2-NZ 2.74Å; D338-W540 WeakPolarHBondContact OD2-CH2 3.31Å
339	G	97.4	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.6	-177	0	0	0	0	0	115	I337 K343 S346 T366 F369	I337-G339 PolarHBondContact O-N 2.93Å; G339-K343 WeakPolarHBondContact O-CA 3.22Å; G339-S346 WeakPolarHBondContact CA-OG 3.46Å; G339-T366 CarbonylContact C-O 3.53Å; G339-T366 VanDerWaalsContact CA-O 3.29Å; G339-T366 WeakPolarHBondContact CA-O 3.23Å; G339-T366 PolarHBondContact O-OG1 2.6Å; G339-F369 PolarHBondContact N-O 3.42Å
340	R	95.8	Very high	97.9	Very high	163 Å²	163	37.5 Å²	37.5	62%	0.615	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-38.9	170.8	-178.3	176.4	171.6	-170.9	-3.9	111.3	D338 D367	D338-R340 PolarHBondContact O-N 2.74Å; D338-R340 WeakPolarHBondContact OD1-CB 3.29Å; D338-R340 PolarHBondContact OD1-N 3.16Å; R340-D367 HydrophobicContact CB-CB 4.28Å
341	K	96.9	Very high	97.9	Very high	153 Å²	153	34.6 Å²	34.6	67%	0.665	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-38	-178.7	-65.3	-176.2	-178.2	-174.4	0	112.6	D338	D338-K341 HydrophobicContact CB-CB 4.09Å; D338-K341 HydrophobicContact CB-CD 4.07Å; D338-K341 HydrophobicContact CB-CG 4.04Å; D338-K341 PolarHBondContact O-N 3.27Å; D338-K341 VanDerWaalsContact O-N 3.08Å
342	N	97.6	Very high	98	Very high	48 Å²	48	31 Å²	31	26%	0.257	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	46.1	-175	-65.9	-71.1	0	0	0	112.2	P322 I337 D338 S344 Y345 S346	P322-N342 HydrophobicContact CG-CB 4.41Å; P322-N342 PolarHBondContact O-ND2 3.42Å; P322-N342 PolarHBondContact O-OD1 3.45Å; I337-N342 HydrophobicContact CG2-CB 3.64Å; D338-N342 PolarHBondContact O-N 2.75Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.44Å; N342-Y345 PolarHBondContact O-N 3.09Å; N342-Y345 VanDerWaalsContact O-N 3.08Å; N342-S346 PolarHBondContact O-N 2.88Å; N342-S346 PolarHBondContact O-OG 2.88Å
343	K	96.9	Very high	98	Very high	87 Å²	87	30.4 Å²	30.4	38%	0.378	14%	0.142	S	C	.	.	H	α-helix	trans	-49.4	-47.8	-171.4	-168.5	164.7	-168.5	130.1	0	113.9	G339 Y345 S346 Q347 D367	G339-K343 WeakPolarHBondContact O-CA 3.22Å; K343-Y345 PolarHBondContact O-N 3.27Å; K343-S346 PolarHBondContact O-N 3.07Å; K343-Q347 HydrophobicContact CG-CG 4.32Å; K343-Q347 WeakPolarHBondContact O-CB 3.45Å; K343-Q347 VanDerWaalsContact O-CG 3.23Å; K343-Q347 WeakPolarHBondContact O-CG 3.43Å; K343-Q347 PolarHBondContact O-N 3.16Å; K343-D367 IonicContact NZ-OD1 3.62Å; K343-D367 PolarHBondContact NZ-OD1 3.35Å; K343-D367 IonicContact NZ-OD2 3.56Å
344	S	97.3	Very high	97.8	Very high	80 Å²	80	31.2 Å²	31.2	56%	0.559	15%	0.146	S	C	*	.	H	α-helix	trans	-62.6	-44.1	-179.2	-178.4	0	0	0	0	112.8	N342 N348	N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.44Å; S344-N348 WeakPolarHBondContact O-CB 3.23Å; S344-N348 PolarHBondContact O-N 2.96Å; S344-N348 VanDerWaalsContact O-N 3.1Å; S344-N348 PolarHBondContact O-ND2 3.09Å; S344-N348 PolarHBondContact O-OD1 3.36Å
345	Y	98.4	Very high	97.7	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-46	178	-178.1	-86.8	0	0	0	111	F298 L300 P321 P322 I337 N342 K343 Q347 N348 L349 V373	F298-Y345 VanDerWaalsContact O-CE2 3.3Å; F298-Y345 WeakPolarHBondContact O-CE2 3.17Å; L300-Y345 HydrophobicContact CB-CE2 4.44Å; L300-Y345 HydrophobicContact CD1-CD2 4.35Å; L300-Y345 HydrophobicContact CD1-CE1 4.06Å; L300-Y345 HydrophobicContact CD1-CE2 3.74Å; L300-Y345 HydrophobicContact CG-CD2 4.3Å; L300-Y345 HydrophobicContact CG-CE2 3.69Å; P321-Y345 HydrophobicContact CB-CE1 4.38Å; P322-Y345 VanDerWaalsContact CD-CE2 3.49Å; P322-Y345 HydrophobicContact CG-CD1 4.07Å; P322-Y345 HydrophobicContact CG-CD2 3.67Å; P322-Y345 HydrophobicContact CG-CE2 4.33Å; P322-Y345 HydrophobicContact CG-CG 3.51Å; I337-Y345 HydrophobicContact CD1-CD1 3.72Å; I337-Y345 HydrophobicContact CD1-CE1 3.33Å; I337-Y345 HydrophobicContact CG2-CD1 4.47Å; N342-Y345 PolarHBondContact O-N 3.09Å; N342-Y345 VanDerWaalsContact O-N 3.08Å; K343-Y345 PolarHBondContact O-N 3.27Å; Y345-Q347 PolarHBondContact O-N 2.91Å; Y345-N348 PolarHBondContact O-N 3.03Å; Y345-L349 HydrophobicContact CE1-CD2 4.27Å; Y345-L349 WeakPolarHBondContact O-CB 3.37Å; Y345-L349 PolarHBondContact O-N 3.48Å; Y345-V373 HydrophobicContact CE1-CG2 4.31Å
346	S	98.4	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-40.5	-179.9	-66.4	0	0	0	0	112.7	G339 N342 K343 L349 C350 F371	G339-S346 WeakPolarHBondContact CA-OG 3.46Å; N342-S346 PolarHBondContact O-N 2.88Å; N342-S346 PolarHBondContact O-OG 2.88Å; K343-S346 PolarHBondContact O-N 3.07Å; S346-L349 PolarHBondContact O-N 2.93Å; S346-C350 WeakPolarHBondContact O-CB 3.36Å; S346-C350 PolarHBondContact O-N 2.93Å; S346-C350 PolarHBondContact O-SG 3.22Å; S346-F371 WeakPolarHBondContact OG-CD2 3.35Å; S346-F371 WeakPolarHBondContact OG-CE2 3.02Å
347	Q	98.2	Very high	97.2	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-44.6	175.1	-73	176.8	-25.5	0	0	111.4	K343 Y345 L349 C350 L351 Y364 T366	K343-Q347 HydrophobicContact CG-CG 4.32Å; K343-Q347 WeakPolarHBondContact O-CB 3.45Å; K343-Q347 VanDerWaalsContact O-CG 3.23Å; K343-Q347 WeakPolarHBondContact O-CG 3.43Å; K343-Q347 PolarHBondContact O-N 3.16Å; Y345-Q347 PolarHBondContact O-N 2.91Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.22Å; Q347-C350 WeakPolarHBondContact O-CB 3.25Å; Q347-C350 PolarHBondContact O-N 2.69Å; Q347-L351 WeakPolarHBondContact O-CG 3.32Å; Q347-L351 PolarHBondContact O-N 3.32Å; Q347-Y364 PolarHBondContact NE2-O 3.14Å; Q347-T366 HydrophobicContact CG-CG2 3.85Å
348	N	98.4	Very high	96.6	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-40.4	176.2	-67.5	-16.4	0	0	0	111.9	L300 Y302 S344 Y345 C350 L351 L352	L300-N348 HydrophobicContact CB-CB 3.67Å; L300-N348 WeakPolarHBondContact O-CB 3.24Å; L300-N348 PolarHBondContact O-ND2 3.42Å; Y302-N348 VanDerWaalsContact CE1-OD1 3.28Å; Y302-N348 WeakPolarHBondContact CE1-OD1 3.41Å; S344-N348 WeakPolarHBondContact O-CB 3.23Å; S344-N348 PolarHBondContact O-N 2.96Å; S344-N348 VanDerWaalsContact O-N 3.1Å; S344-N348 PolarHBondContact O-ND2 3.09Å; S344-N348 PolarHBondContact O-OD1 3.36Å; Y345-N348 PolarHBondContact O-N 3.03Å; N348-C350 VanDerWaalsContact C-N 3.35Å; N348-L351 PolarHBondContact O-N 3.46Å; N348-L352 WeakPolarHBondContact O-CB 3.38Å; N348-L352 PolarHBondContact O-N 3.02Å
349	L	98.6	Very high	95.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-43.6	173.6	-179.4	59.2	0	0	0	111.3	L300 Y345 S346 Q347 L352 A353 F371 V373 I384 Y387	L300-L349 HydrophobicContact CD1-CB 3.71Å; L300-L349 HydrophobicContact CD1-CD1 3.84Å; L300-L349 HydrophobicContact CD1-CG 4.34Å; Y345-L349 HydrophobicContact CE1-CD2 4.27Å; Y345-L349 WeakPolarHBondContact O-CB 3.37Å; Y345-L349 PolarHBondContact O-N 3.48Å; S346-L349 PolarHBondContact O-N 2.93Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.22Å; L349-L352 PolarHBondContact O-N 3.28Å; L349-A353 VanDerWaalsContact O-CB 3.26Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3.45Å; L349-F371 HydrophobicContact CD2-CB 4.3Å; L349-F371 HydrophobicContact CD2-CD1 3.85Å; L349-F371 HydrophobicContact CD2-CG 4.33Å; L349-V373 HydrophobicContact CD2-CG2 3.84Å; L349-I384 HydrophobicContact CD1-CD1 3.76Å; L349-Y387 HydrophobicContact CD1-CD1 3.8Å; L349-Y387 HydrophobicContact CD1-CE1 4.04Å; L349-Y387 HydrophobicContact CD1-CG 4.18Å; L349-Y387 HydrophobicContact CD2-CD1 4.32Å; L349-Y387 HydrophobicContact CD2-CD2 3.8Å; L349-Y387 HydrophobicContact CD2-CE2 4.16Å; L349-Y387 HydrophobicContact CD2-CG 3.89Å; L349-Y387 HydrophobicContact CG-CD1 4.21Å; L349-Y387 HydrophobicContact CG-CD2 4.34Å; L349-Y387 HydrophobicContact CG-CE1 4.2Å; L349-Y387 HydrophobicContact CG-CE2 4.35Å; L349-Y387 HydrophobicContact CG-CG 4.28Å
350	C	98.3	Very high	95.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-42.7	176.4	-76.9	0	0	0	0	112.9	S346 Q347 N348 A353 K354 K360 Y363	S346-C350 WeakPolarHBondContact O-CB 3.36Å; S346-C350 PolarHBondContact O-N 2.93Å; S346-C350 PolarHBondContact O-SG 3.22Å; Q347-C350 WeakPolarHBondContact O-CB 3.25Å; Q347-C350 PolarHBondContact O-N 2.69Å; N348-C350 VanDerWaalsContact C-N 3.35Å; C350-A353 PolarHBondContact O-N 2.96Å; C350-K354 WeakPolarHBondContact O-CB 2.95Å; C350-K354 PolarHBondContact O-N 3.36Å; C350-K360 VanDerWaalsContact CB-CE 3.49Å; C350-K360 WeakPolarHBondContact SG-CE 3.41Å; C350-K360 PolarHBondContact SG-NZ 2.98Å; C350-K360 VanDerWaalsContact SG-NZ 3.42Å; C350-Y363 WeakPolarHBondContact CB-O 3.25Å
351	L	97.9	Very high	94.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-44.2	176.2	-70.4	172.6	0	0	0	111.4	S281 P282 Y283 Y302 Q347 N348 K354 C355 Y363 Y364	S281-L351 PolarHBondContact OG-O 3.26Å; P282-L351 HydrophobicContact CG-CD2 3.86Å; Y283-L351 HydrophobicContact CD1-CD1 4.25Å; Y283-L351 HydrophobicContact CD2-CB 4.23Å; Y283-L351 HydrophobicContact CE1-CB 4Å; Y283-L351 HydrophobicContact CE1-CD1 4.16Å; Y283-L351 HydrophobicContact CE2-CB 3.66Å; Y283-L351 WeakPolarHBondContact CE2-O 3.44Å; Y302-L351 HydrophobicContact CE1-CD1 3.97Å; Q347-L351 WeakPolarHBondContact O-CG 3.32Å; Q347-L351 PolarHBondContact O-N 3.32Å; N348-L351 PolarHBondContact O-N 3.46Å; L351-K354 PolarHBondContact O-N 3.12Å; L351-C355 PolarHBondContact O-SG 2.89Å; L351-Y363 HydrophobicContact CD2-CD2 4.26Å; L351-Y364 HydrophobicContact CD2-CE1 4.43Å
352	L	98.3	Very high	94.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.1	173.1	177.3	60.5	0	0	0	111.1	I268 L270 Y283 L295 L300 N348 L349 K354 C355 F356 L406	I268-L352 HydrophobicContact CD1-CD1 4.15Å; I268-L352 HydrophobicContact CG2-CD1 4.49Å; L270-L352 HydrophobicContact CD2-CD2 4.01Å; Y283-L352 WeakPolarHBondContact OH-CA 3.34Å; Y283-L352 PolarHBondContact OH-N 2.96Å; L295-L352 HydrophobicContact CD2-CB 4.35Å; L295-L352 HydrophobicContact CD2-CD1 3.96Å; L295-L352 HydrophobicContact CD2-CD2 4.29Å; L295-L352 HydrophobicContact CD2-CG 4.43Å; L300-L352 HydrophobicContact CD2-CD2 4.28Å; N348-L352 WeakPolarHBondContact O-CB 3.38Å; N348-L352 PolarHBondContact O-N 3.02Å; L349-L352 PolarHBondContact O-N 3.28Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 3.25Å; L352-C355 WeakPolarHBondContact O-CB 3.38Å; L352-C355 PolarHBondContact O-N 2.89Å; L352-F356 HydrophobicContact CD1-CE2 3.92Å; L352-F356 WeakPolarHBondContact O-CD2 3.31Å; L352-L406 HydrophobicContact CD2-CD2 4.25Å; L352-L406 HydrophobicContact CG-CD2 4.42Å
353	A	97.4	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-39.4	-179.7	0	0	0	0	0	112.7	L349 C350 C355 F356 L357 K360 Y387 L404	L349-A353 VanDerWaalsContact O-CB 3.26Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3.45Å; C350-A353 PolarHBondContact O-N 2.96Å; A353-C355 PolarHBondContact O-N 3.25Å; A353-C355 VanDerWaalsContact O-N 3.16Å; A353-F356 CarbonylContact O-C 3.57Å; A353-F356 PolarHBondContact O-N 3.16Å; A353-L357 HydrophobicContact CB-CD1 4.16Å; A353-L357 WeakPolarHBondContact O-CG 3.49Å; A353-L357 PolarHBondContact O-N 2.89Å; A353-K360 HydrophobicContact CB-CD 4.18Å; A353-Y387 HydrophobicContact CB-CE1 3.54Å; A353-Y387 WeakPolarHBondContact CB-OH 3.34Å; A353-L404 HydrophobicContact CB-CD2 3.99Å
354	K	95.4	Very high	93.1	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.078	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-24.5	177.8	-178.1	65.5	-171.1	78.1	0	112.8	F280 C350 L351 L352 F356 L357 D358 K360	F280-K354 WeakPolarHBondContact O-CG 3.29Å; F280-K354 PolarHBondContact O-NZ 3.05Å; C350-K354 WeakPolarHBondContact O-CB 2.95Å; C350-K354 PolarHBondContact O-N 3.36Å; L351-K354 PolarHBondContact O-N 3.12Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 3.25Å; K354-F356 PolarHBondContact O-N 3.28Å; K354-L357 PolarHBondContact NZ-O 2.95Å; K354-L357 VanDerWaalsContact O-O 3.12Å; K354-D358 WeakPolarHBondContact CE-O 3.46Å; K354-D358 PolarHBondContact NZ-O 2.93Å; K354-D358 VanDerWaalsContact NZ-O 3.14Å; K354-K360 HydrophobicContact CD-CB 3.78Å; K354-K360 HydrophobicContact CD-CG 4.49Å; K354-K360 VanDerWaalsContact CD-O 3.25Å; K354-K360 WeakPolarHBondContact CD-O 3.25Å; K354-K360 WeakPolarHBondContact CE-O 3.38Å
355	C	96.1	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.7	172.3	-59.7	0	0	0	0	112.9	I268 P277 W278 Y279 S281 L351 L352 A353	I268-C355 HydrophobicContact CD1-CB 4.29Å; I268-C355 VanDerWaalsContact CD1-SG 3.59Å; P277-C355 HydrophobicContact CB-CB 4Å; P277-C355 HydrophobicContact CG-CB 4.39Å; W278-C355 PolarHBondContact N-O 2.69Å; Y279-C355 PolarHBondContact N-O 3.49Å; S281-C355 WeakPolarHBondContact CB-SG 3.5Å; L351-C355 PolarHBondContact O-SG 2.89Å; L352-C355 WeakPolarHBondContact O-CB 3.38Å; L352-C355 PolarHBondContact O-N 2.89Å; A353-C355 PolarHBondContact O-N 3.25Å; A353-C355 VanDerWaalsContact O-N 3.16Å
356	F	95.4	Very high	92.8	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	2.3	-173.4	-51.1	-67.6	0	0	0	113.3	L275 W278 Y279 L352 A353 K354 L404 L406 P407	L275-F356 HydrophobicContact CB-CZ 3.92Å; L275-F356 HydrophobicContact CD1-CE2 4.24Å; L275-F356 HydrophobicContact CD1-CZ 3.93Å; W278-F356 AromaticContact CD2-CD1 3.92Å; W278-F356 HydrophobicContact CD2-CD1 3.92Å; W278-F356 HydrophobicContact CE3-CB 4.13Å; W278-F356 HydrophobicContact CE3-CD1 4.28Å; W278-F356 HydrophobicContact CG-CD1 4.13Å; W278-F356 HydrophobicContact CZ3-CB 4.45Å; Y279-F356 VanDerWaalsContact CD2-C 3.47Å; Y279-F356 WeakPolarHBondContact CE2-O 3.38Å; L352-F356 HydrophobicContact CD1-CE2 3.92Å; L352-F356 WeakPolarHBondContact O-CD2 3.31Å; A353-F356 CarbonylContact O-C 3.57Å; A353-F356 PolarHBondContact O-N 3.16Å; K354-F356 PolarHBondContact O-N 3.28Å; F356-L404 HydrophobicContact CB-CD1 3.79Å; F356-L404 HydrophobicContact CB-CD2 4.19Å; F356-L404 HydrophobicContact CD2-CD2 4.14Å; F356-L406 HydrophobicContact CE2-CD2 4.4Å; F356-P407 HydrophobicContact CD1-CG 3.67Å; F356-P407 HydrophobicContact CE1-CG 3.52Å; F356-P407 HydrophobicContact CE2-CG 4.48Å; F356-P407 HydrophobicContact CG-CG 4.23Å; F356-P407 HydrophobicContact CZ-CG 3.96Å
357	L	91.9	Very high	92.6	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.152	18%	0.176	C	C	.	.			trans	-126.4	122.3	176.8	-62.7	176.9	0	0	0	109.6	A353 K354 K360 C402 L404	A353-L357 HydrophobicContact CB-CD1 4.16Å; A353-L357 WeakPolarHBondContact O-CG 3.49Å; A353-L357 PolarHBondContact O-N 2.89Å; K354-L357 PolarHBondContact NZ-O 2.95Å; K354-L357 VanDerWaalsContact O-O 3.12Å; L357-K360 HydrophobicContact CB-CB 4.18Å; L357-K360 HydrophobicContact CD1-CD 4.33Å; L357-C402 HydrophobicContact CD1-CB 4.17Å; L357-L404 HydrophobicContact CD1-CB 4.49Å; L357-L404 HydrophobicContact CD2-CD1 4.37Å
358	D	85.5	Confident	92.5	Very high	30 Å²	30	35.8 Å²	35.8	16%	0.16	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-51.8	-177.6	-153.6	-4.2	0	0	0	110.8	K85 Y279 K354 K360	K85-D358 IonicContact NZ-OD1 2.77Å; K85-D358 IonicContact NZ-OD2 2.79Å; K85-D358 PolarHBondContact NZ-OD2 3.42Å; Y279-D358 HydrophobicContact CD1-CB 3.75Å; Y279-D358 HydrophobicContact CD2-CB 4.49Å; Y279-D358 HydrophobicContact CE1-CB 3.51Å; Y279-D358 VanDerWaalsContact CE1-CG 3.46Å; Y279-D358 HydrophobicContact CE2-CB 4.31Å; Y279-D358 HydrophobicContact CG-CB 4.24Å; K354-D358 WeakPolarHBondContact CE-O 3.46Å; K354-D358 PolarHBondContact NZ-O 2.93Å; K354-D358 VanDerWaalsContact NZ-O 3.14Å; D358-K360 PolarHBondContact O-N 3.33Å
359	H	83.8	Confident	92.5	Very high	88 Å²	88	36 Å²	36	41%	0.407	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	25.4	-169	-58.6	-57.6	0	0	0	115.2	T361	H359-T361 PolarHBondContact O-N 2.91Å
360	K	89.3	Confident	92.4	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	18%	0.182	C	C	.	.			trans	-80.6	106	174.1	-178.8	165.2	-178	53.1	0	110.5	C350 A353 K354 L357 D358 L362	C350-K360 VanDerWaalsContact CB-CE 3.49Å; C350-K360 WeakPolarHBondContact SG-CE 3.41Å; C350-K360 PolarHBondContact SG-NZ 2.98Å; C350-K360 VanDerWaalsContact SG-NZ 3.42Å; A353-K360 HydrophobicContact CB-CD 4.18Å; K354-K360 HydrophobicContact CD-CB 3.78Å; K354-K360 HydrophobicContact CD-CG 4.49Å; K354-K360 VanDerWaalsContact CD-O 3.25Å; K354-K360 WeakPolarHBondContact CD-O 3.25Å; K354-K360 WeakPolarHBondContact CE-O 3.38Å; L357-K360 HydrophobicContact CB-CB 4.18Å; L357-K360 HydrophobicContact CD1-CD 4.33Å; D358-K360 PolarHBondContact O-N 3.33Å; K360-L362 WeakPolarHBondContact CE-O 3.4Å; K360-L362 PolarHBondContact NZ-O 3.39Å
361	T	82.4	Confident	92.5	Very high	110 Å²	110	36.1 Å²	36.1	68%	0.675	18%	0.181	S	C	*	.			trans	-91.6	-36	-176.2	54.1	0	0	0	0	112.9	H359 Y363	H359-T361 PolarHBondContact O-N 2.91Å; T361-Y363 VanDerWaalsContact O-CD1 3.28Å; T361-Y363 WeakPolarHBondContact O-CD1 3.31Å; T361-Y363 VanDerWaalsContact O-CE1 3.24Å; T361-Y363 WeakPolarHBondContact O-CE1 3.47Å
362	L	84.4	Confident	92.5	Very high	78 Å²	78	36 Å²	36	41%	0.408	18%	0.181	S	C	.	.			trans	-99.2	111	-179.2	-61	177.2	0	0	0	111.3	K360 F369	K360-L362 WeakPolarHBondContact CE-O 3.4Å; K360-L362 PolarHBondContact NZ-O 3.39Å; L362-F369 HydrophobicContact CB-CE2 4.35Å; L362-F369 HydrophobicContact CD1-CE2 3.8Å; L362-F369 HydrophobicContact CD1-CZ 3.84Å
363	Y	83	Confident	92.5	Very high	65 Å²	65	36 Å²	36	26%	0.255	18%	0.181	S	C	.	.	S	Bend	trans	-129.4	-21.7	178.8	46.8	-91.2	0	0	0	114.8	P282 C350 L351 T361	P282-Y363 HydrophobicContact CB-CE2 3.94Å; P282-Y363 HydrophobicContact CG-CD1 4.22Å; P282-Y363 HydrophobicContact CG-CD2 3.55Å; P282-Y363 HydrophobicContact CG-CE1 3.96Å; P282-Y363 HydrophobicContact CG-CE2 3.18Å; P282-Y363 HydrophobicContact CG-CG 4.05Å; P282-Y363 VanDerWaalsContact CG-CZ 3.45Å; C350-Y363 WeakPolarHBondContact CB-O 3.25Å; L351-Y363 HydrophobicContact CD2-CD2 4.26Å; T361-Y363 VanDerWaalsContact O-CD1 3.28Å; T361-Y363 WeakPolarHBondContact O-CD1 3.31Å; T361-Y363 VanDerWaalsContact O-CE1 3.24Å; T361-Y363 WeakPolarHBondContact O-CE1 3.47Å
364	Y	86.9	Confident	92.6	Very high	114 Å²	114	36 Å²	36	45%	0.447	18%	0.181	S	C	.	.	S	Bend	trans	-99.6	-32.4	173.2	-65.7	-50	0	0	0	113.9	P282 Q347 L351 T366	P282-Y364 PolarHBondContact O-OH 3.22Å; Q347-Y364 PolarHBondContact NE2-O 3.14Å; L351-Y364 HydrophobicContact CD2-CE1 4.43Å; Y364-T366 PolarHBondContact O-N 2.59Å
365	D	92.8	Very high	92.8	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	18%	0.177	S	C	.	.			trans	-87.2	97.9	173.7	-167.7	7.9	0	0	0	109.8	P368	D365-P368 WeakPolarHBondContact OD1-CD 3.46Å
366	T	96.1	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.			trans	-107.2	-7	-178.4	57.6	0	0	0	0	112.4	G339 Q347 Y364 P368 F369 F371	G339-T366 CarbonylContact C-O 3.53Å; G339-T366 VanDerWaalsContact CA-O 3.29Å; G339-T366 WeakPolarHBondContact CA-O 3.23Å; G339-T366 PolarHBondContact O-OG1 2.6Å; Q347-T366 HydrophobicContact CG-CG2 3.85Å; Y364-T366 PolarHBondContact O-N 2.59Å; T366-P368 VanDerWaalsContact C-CD 3.45Å; T366-F369 PolarHBondContact O-N 2.71Å; T366-F369 VanDerWaalsContact O-N 3.17Å; T366-F371 HydrophobicContact CG2-CE2 4.49Å; T366-F371 HydrophobicContact CG2-CZ 4.11Å
367	D	95.6	Very high	92.9	Very high	51 Å²	51	41.2 Å²	41.2	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39	-174.6	-71.4	40.5	0	0	0	113.7	R340 K343 F369 K392	R340-D367 HydrophobicContact CB-CB 4.28Å; K343-D367 IonicContact NZ-OD1 3.62Å; K343-D367 PolarHBondContact NZ-OD1 3.35Å; K343-D367 IonicContact NZ-OD2 3.56Å; D367-F369 PolarHBondContact O-N 3.12Å; D367-K392 WeakPolarHBondContact O-CE 3.43Å; D367-K392 PolarHBondContact O-NZ 2.91Å
368	P	95.8	Very high	93.1	Very high	48 Å²	48	42.6 Å²	42.6	31%	0.312	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.4	179.9	28.9	-31	0	0	0	114	D365 T366 K392	D365-P368 WeakPolarHBondContact OD1-CD 3.46Å; T366-P368 VanDerWaalsContact C-CD 3.45Å; P368-K392 WeakPolarHBondContact O-CB 3.12Å; P368-K392 WeakPolarHBondContact O-CG 3.16Å; P368-K392 PolarHBondContact O-N 3.48Å
369	F	97.1	Very high	93.6	Very high	16 Å²	16	47 Å²	47	7%	0.07	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.5	-172.4	-64.1	-82.7	0	0	0	113.8	G339 L362 T366 D367 F371 K390 E391 A401	G339-F369 PolarHBondContact N-O 3.42Å; L362-F369 HydrophobicContact CB-CE2 4.35Å; L362-F369 HydrophobicContact CD1-CE2 3.8Å; L362-F369 HydrophobicContact CD1-CZ 3.84Å; T366-F369 PolarHBondContact O-N 2.71Å; T366-F369 VanDerWaalsContact O-N 3.17Å; D367-F369 PolarHBondContact O-N 3.12Å; F369-F371 HydrophobicContact CB-CD2 4.43Å; F369-F371 HydrophobicContact CB-CE2 3.72Å; F369-F371 HydrophobicContact CB-CZ 3.89Å; F369-K390 WeakPolarHBondContact CA-O 3.5Å; F369-E391 HydrophobicContact CD1-CG 3.82Å; F369-E391 HydrophobicContact CE1-CG 3.33Å; F369-E391 HydrophobicContact CZ-CG 4.05Å; F369-A401 HydrophobicContact CD1-CB 4.45Å; F369-A401 HydrophobicContact CE1-CB 3.95Å
370	L	98	Very high	94.1	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.5	155.9	-63.9	178.7	0	0	0	109.2	I337 D338 Y372 S389 K390 K392 W540	I337-L370 WeakPolarHBondContact O-CA 3.21Å; D338-L370 HydrophobicContact CB-CD2 4.11Å; L370-Y372 HydrophobicContact CB-CE2 3.98Å; L370-S389 CarbonylContact O-C 3.52Å; L370-S389 WeakPolarHBondContact O-CA 3.03Å; L370-K390 PolarHBondContact N-O 3.19Å; L370-K390 PolarHBondContact O-N 3.15Å; L370-K392 HydrophobicContact CD2-CG 4.42Å; L370-K392 HydrophobicContact CG-CG 4Å; L370-W540 HydrophobicContact CD1-CZ2 4.07Å; L370-W540 HydrophobicContact CD2-CH2 4.27Å; L370-W540 HydrophobicContact CD2-CZ2 3.8Å; L370-W540 HydrophobicContact CG-CZ2 4.31Å
371	F	98.6	Very high	94.5	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.7	175.9	-58.7	-99.1	0	0	0	109.1	I337 S346 L349 T366 F369 Y387	I337-F371 HydrophobicContact CB-CB 4.23Å; I337-F371 PolarHBondContact N-O 3.29Å; I337-F371 PolarHBondContact O-N 3.28Å; S346-F371 WeakPolarHBondContact OG-CD2 3.35Å; S346-F371 WeakPolarHBondContact OG-CE2 3.02Å; L349-F371 HydrophobicContact CD2-CB 4.3Å; L349-F371 HydrophobicContact CD2-CD1 3.85Å; L349-F371 HydrophobicContact CD2-CG 4.33Å; T366-F371 HydrophobicContact CG2-CE2 4.49Å; T366-F371 HydrophobicContact CG2-CZ 4.11Å; F369-F371 HydrophobicContact CB-CD2 4.43Å; F369-F371 HydrophobicContact CB-CE2 3.72Å; F369-F371 HydrophobicContact CB-CZ 3.89Å; F371-Y387 AromaticContact CD1-CD2 4Å; F371-Y387 HydrophobicContact CD1-CD2 4Å; F371-Y387 AromaticContact CD1-CE2 3.8Å; F371-Y387 HydrophobicContact CD1-CE2 3.8Å; F371-Y387 HydrophobicContact CE1-CE2 4.26Å
372	Y	98.8	Very high	95.2	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	99.6	176.9	-63.4	-86	0	0	0	108.2	I326 F335 E336 L370 Y387 F388 K390 F421 L425	I326-Y372 HydrophobicContact CD1-CD1 3.85Å; I326-Y372 HydrophobicContact CD1-CE1 3.79Å; F335-Y372 WeakPolarHBondContact O-CA 3.49Å; E336-Y372 HydrophobicContact CB-CD1 4.31Å; E336-Y372 HydrophobicContact CB-CE1 4.12Å; E336-Y372 HydrophobicContact CG-CD1 4.39Å; E336-Y372 HydrophobicContact CG-CE1 3.82Å; L370-Y372 HydrophobicContact CB-CE2 3.98Å; Y372-Y387 WeakPolarHBondContact O-CA 3.34Å; Y372-Y387 WeakPolarHBondContact O-CB 3.43Å; Y372-F388 HydrophobicContact CD1-CZ 4.36Å; Y372-F388 AromaticContact CD2-CD2 3.82Å; Y372-F388 HydrophobicContact CD2-CD2 3.82Å; Y372-F388 HydrophobicContact CD2-CE1 4.41Å; Y372-F388 AromaticContact CD2-CE2 3.19Å; Y372-F388 HydrophobicContact CD2-CE2 3.19Å; Y372-F388 AromaticContact CD2-CZ 3.54Å; Y372-F388 HydrophobicContact CD2-CZ 3.54Å; Y372-F388 AromaticContact CE2-CE2 3.86Å; Y372-F388 HydrophobicContact CE2-CE2 3.86Å; Y372-F388 HydrophobicContact CE2-CZ 4.34Å; Y372-F388 HydrophobicContact CG-CD2 4.43Å; Y372-F388 HydrophobicContact CG-CE1 4.13Å; Y372-F388 AromaticContact CG-CE2 3.73Å; Y372-F388 HydrophobicContact CG-CE2 3.73Å; Y372-F388 AromaticContact CG-CZ 3.54Å; Y372-F388 HydrophobicContact CG-CZ 3.54Å; Y372-F388 PolarHBondContact N-O 3.14Å; Y372-F388 PolarHBondContact O-N 2.84Å; Y372-K390 HydrophobicContact CE2-CB 3.97Å; Y372-K390 HydrophobicContact CE2-CD 4.34Å; Y372-F421 HydrophobicContact CD1-CE1 4.16Å; Y372-L425 HydrophobicContact CD1-CD1 3.78Å; Y372-L425 HydrophobicContact CD2-CD1 4.27Å; Y372-L425 HydrophobicContact CE1-CD1 3.4Å; Y372-L425 VanDerWaalsContact CE1-CD1 3.4Å; Y372-L425 HydrophobicContact CE1-CD2 4.41Å; Y372-L425 HydrophobicContact CE2-CD1 3.95Å; Y372-L425 HydrophobicContact CG-CD1 4.18Å; Y372-L425 VanDerWaalsContact CZ-CD1 3.49Å
373	V	98.9	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.3	-174.2	-178.5	0	0	0	0	109.6	P321 F334 F335 I337 Y345 L349 T375 I384	P321-V373 HydrophobicContact CB-CB 4.26Å; P321-V373 HydrophobicContact CB-CG1 4.26Å; P321-V373 HydrophobicContact CG-CB 4.1Å; P321-V373 HydrophobicContact CG-CG1 3.67Å; F334-V373 WeakPolarHBondContact CA-O 3.22Å; F335-V373 PolarHBondContact N-O 2.83Å; F335-V373 PolarHBondContact O-N 3.18Å; I337-V373 HydrophobicContact CD1-CB 4.3Å; I337-V373 HydrophobicContact CD1-CG2 3.57Å; Y345-V373 HydrophobicContact CE1-CG2 4.31Å; L349-V373 HydrophobicContact CD2-CG2 3.84Å; V373-T375 HydrophobicContact CG1-CG2 4.21Å; V373-I384 HydrophobicContact CG1-CB 4.49Å; V373-I384 HydrophobicContact CG1-CD1 3.74Å; V373-I384 HydrophobicContact CG1-CG1 3.81Å
374	M	98.8	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.6	175.4	-176.5	173.6	65.5	0	0	110.5	I332 S333 F334 V385 G386 Y414 L417 L418	I332-M374 HydrophobicContact CG2-CG 4.11Å; I332-M374 HydrophobicContact CG2-SD 4.27Å; S333-M374 WeakPolarHBondContact O-CA 3.49Å; F334-M374 HydrophobicContact CD1-CB 4.09Å; F334-M374 HydrophobicContact CD2-CB 4.44Å; F334-M374 HydrophobicContact CD2-CG 4.22Å; F334-M374 HydrophobicContact CE1-CB 3.77Å; F334-M374 HydrophobicContact CE1-CG 4.28Å; F334-M374 HydrophobicContact CE1-SD 4.4Å; F334-M374 HydrophobicContact CE2-CB 4.11Å; F334-M374 HydrophobicContact CE2-CG 3.72Å; F334-M374 HydrophobicContact CE2-SD 3.69Å; F334-M374 HydrophobicContact CG-CB 4.43Å; F334-M374 HydrophobicContact CZ-CB 3.78Å; F334-M374 HydrophobicContact CZ-CG 3.76Å; F334-M374 HydrophobicContact CZ-SD 3.51Å; F334-M374 VanDerWaalsContact CZ-SD 3.51Å; M374-V385 HydrophobicContact CE-CB 4.21Å; M374-V385 HydrophobicContact CE-CG1 3.72Å; M374-V385 PolarHBondContact O-N 2.81Å; M374-G386 PolarHBondContact N-O 3.15Å; M374-G386 PolarHBondContact O-N 3.42Å; M374-Y414 HydrophobicContact CE-CD1 3.56Å; M374-Y414 HydrophobicContact CE-CG 3.77Å; M374-Y414 HydrophobicContact SD-CD1 4.08Å; M374-L417 HydrophobicContact SD-CB 4.45Å; M374-L417 HydrophobicContact SD-CD2 3.86Å; M374-L417 HydrophobicContact SD-CG 4.37Å; M374-L418 HydrophobicContact CB-CD2 3.68Å; M374-L418 HydrophobicContact CE-CD1 4.17Å; M374-L418 HydrophobicContact CE-CD2 3.82Å; M374-L418 HydrophobicContact CE-CG 3.7Å; M374-L418 HydrophobicContact CG-CD2 4.48Å; M374-L418 HydrophobicContact SD-CD2 4.04Å; M374-L418 HydrophobicContact SD-CG 4.27Å
375	T	98.7	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.3	-177.5	62	0	0	0	0	112.7	P321 I332 S333 F335 V373 F382 H383	P321-T375 HydrophobicContact CG-CG2 3.65Å; I332-T375 WeakPolarHBondContact CA-O 3.34Å; S333-T375 PolarHBondContact N-O 3.38Å; S333-T375 PolarHBondContact O-N 3.23Å; S333-T375 PolarHBondContact O-OG1 3.47Å; F335-T375 HydrophobicContact CD2-CG2 4.11Å; F335-T375 HydrophobicContact CE2-CG2 4.19Å; V373-T375 HydrophobicContact CG1-CG2 4.21Å; T375-F382 HydrophobicContact CG2-CB 4.06Å; T375-F382 WeakPolarHBondContact OG1-CD1 3.21Å; T375-H383 CarbonylContact C-O 3.4Å; T375-H383 WeakPolarHBondContact CA-O 3.45Å; T375-H383 WeakPolarHBondContact CB-O 3.48Å
376	E	97.9	Very high	97.4	Very high	36 Å²	36	30.2 Å²	30.2	17%	0.168	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.9	161.1	-85.1	173.1	-158.7	0	0	109.5	T331 I332 H383 V385 Y414	T331-E376 CarbonylContact O-C 3.5Å; T331-E376 WeakPolarHBondContact O-CA 3.3Å; I332-E376 HydrophobicContact CD1-CG 3.74Å; E376-H383 PolarHBondContact N-O 2.92Å; E376-H383 PolarHBondContact O-CD2 2.87Å; E376-H383 PolarHBondContact O-N 2.84Å; E376-V385 HydrophobicContact CB-CG2 4.05Å; E376-V385 HydrophobicContact CG-CG2 3.8Å; E376-Y414 VanDerWaalsContact OE1-CE2 3.32Å; E376-Y414 WeakPolarHBondContact OE1-CE2 3.36Å; E376-Y414 PolarHBondContact OE1-OH 3.08Å
377	Y	97.2	Very high	97.6	Very high	96 Å²	96	30.3 Å²	30.3	38%	0.376	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.7	177.9	172.2	-109.2	0	0	0	111.7	T331 G381 F382	T331-Y377 PolarHBondContact O-N 3.26Å; Y377-G381 WeakPolarHBondContact CA-O 3.36Å; Y377-G381 WeakPolarHBondContact CD2-O 3.32Å; Y377-F382 HydrophobicContact CD2-CD1 4.15Å; Y377-F382 AromaticContact CD2-CD2 3.96Å; Y377-F382 HydrophobicContact CD2-CD2 3.96Å; Y377-F382 AromaticContact CD2-CE1 3.99Å; Y377-F382 HydrophobicContact CD2-CE1 3.99Å; Y377-F382 AromaticContact CD2-CE2 3.8Å; Y377-F382 HydrophobicContact CD2-CE2 3.8Å; Y377-F382 HydrophobicContact CD2-CG 4.17Å; Y377-F382 AromaticContact CD2-CZ 3.83Å; Y377-F382 HydrophobicContact CD2-CZ 3.83Å; Y377-F382 HydrophobicContact CE2-CE2 4.12Å; Y377-F382 HydrophobicContact CE2-CZ 4.33Å; Y377-F382 HydrophobicContact CG-CD1 4.49Å; Y377-F382 HydrophobicContact CG-CE1 4.28Å; Y377-F382 HydrophobicContact CG-CZ 4.46Å
378	D	96.2	Very high	97.7	Very high	59 Å²	59	27.9 Å²	27.9	32%	0.316	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-172.8	166.8	81.9	21.8	0	0	0	111.7	K380 G381 H383	D378-K380 PolarHBondContact O-N 3.44Å; D378-K380 VanDerWaalsContact O-N 3.12Å; D378-K380 WeakPolarHBondContact OD1-CA 3.3Å; D378-K380 VanDerWaalsContact OD1-CB 3.27Å; D378-K380 WeakPolarHBondContact OD1-CB 3.38Å; D378-K380 PolarHBondContact OD1-N 2.83Å; D378-G381 PolarHBondContact N-O 2.89Å; D378-G381 PolarHBondContact O-N 3.5Å; D378-G381 VanDerWaalsContact O-N 3.12Å; D378-H383 IonicContact OD1-CD2 3.32Å; D378-H383 IonicContact OD1-NE2 2.84Å; D378-H383 PolarHBondContact OD1-NE2 2.86Å; D378-H383 IonicContact OD2-CD2 2.71Å; D378-H383 IonicContact OD2-NE2 3.75Å; D378-H383 PolarHBondContact OD2-NE2 2.81Å
379	C	95.7	Very high	97.8	Very high	123 Å²	123	25.7 Å²	25.7	83%	0.831	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.4	-179.7	65.5	0	0	0	0	115.4
380	K	94.3	Very high	97.8	Very high	148 Å²	148	25.9 Å²	25.9	64%	0.643	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.6	179.2	-61.5	179.5	-179.9	176.2	0	112.3	R319 D378	R319-K380 WeakPolarHBondContact CD-O 3.46Å; D378-K380 PolarHBondContact O-N 3.44Å; D378-K380 VanDerWaalsContact O-N 3.12Å; D378-K380 WeakPolarHBondContact OD1-CA 3.3Å; D378-K380 VanDerWaalsContact OD1-CB 3.27Å; D378-K380 WeakPolarHBondContact OD1-CB 3.38Å; D378-K380 PolarHBondContact OD1-N 2.83Å
381	G	97	Very high	97.7	Very high	6 Å²	6	28.4 Å²	28.4	6%	0.062	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139	-150.5	179.6	0	0	0	0	0	112.9	R319 Y377 D378	R319-G381 WeakPolarHBondContact O-CA 3.11Å; Y377-G381 WeakPolarHBondContact CA-O 3.36Å; Y377-G381 WeakPolarHBondContact CD2-O 3.32Å; D378-G381 PolarHBondContact N-O 2.89Å; D378-G381 PolarHBondContact O-N 3.5Å; D378-G381 VanDerWaalsContact O-N 3.12Å
382	F	98.3	Very high	97.5	Very high	23 Å²	23	30.1 Å²	30.1	10%	0.101	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.8	-175.1	-62.7	-104.7	0	0	0	109.7	R319 H320 S333 F335 T375 Y377	R319-F382 PolarHBondContact O-N 2.88Å; H320-F382 HydrophobicContact CB-CB 3.83Å; H320-F382 HydrophobicContact CB-CD2 3.52Å; H320-F382 HydrophobicContact CB-CE2 4.2Å; H320-F382 HydrophobicContact CB-CG 3.84Å; S333-F382 WeakPolarHBondContact OG-CE1 3.47Å; F335-F382 HydrophobicContact CE2-CB 4.24Å; F335-F382 AromaticContact CE2-CD1 3.6Å; F335-F382 HydrophobicContact CE2-CD1 3.6Å; F335-F382 HydrophobicContact CE2-CE1 4.05Å; F335-F382 HydrophobicContact CE2-CG 4.02Å; F335-F382 AromaticContact CZ-CD1 3.67Å; F335-F382 HydrophobicContact CZ-CD1 3.67Å; F335-F382 HydrophobicContact CZ-CD2 4.36Å; F335-F382 AromaticContact CZ-CE1 3.77Å; F335-F382 HydrophobicContact CZ-CE1 3.77Å; F335-F382 HydrophobicContact CZ-CE2 4.44Å; F335-F382 AromaticContact CZ-CG 3.95Å; F335-F382 HydrophobicContact CZ-CG 3.95Å; F335-F382 HydrophobicContact CZ-CZ 4.15Å; T375-F382 HydrophobicContact CG2-CB 4.06Å; T375-F382 WeakPolarHBondContact OG1-CD1 3.21Å; Y377-F382 HydrophobicContact CD2-CD1 4.15Å; Y377-F382 AromaticContact CD2-CD2 3.96Å; Y377-F382 HydrophobicContact CD2-CD2 3.96Å; Y377-F382 AromaticContact CD2-CE1 3.99Å; Y377-F382 HydrophobicContact CD2-CE1 3.99Å; Y377-F382 AromaticContact CD2-CE2 3.8Å; Y377-F382 HydrophobicContact CD2-CE2 3.8Å; Y377-F382 HydrophobicContact CD2-CG 4.17Å; Y377-F382 AromaticContact CD2-CZ 3.83Å; Y377-F382 HydrophobicContact CD2-CZ 3.83Å; Y377-F382 HydrophobicContact CE2-CE2 4.12Å; Y377-F382 HydrophobicContact CE2-CZ 4.33Å; Y377-F382 HydrophobicContact CG-CD1 4.49Å; Y377-F382 HydrophobicContact CG-CE1 4.28Å; Y377-F382 HydrophobicContact CG-CZ 4.46Å
383	H	98.2	Very high	97.2	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.069	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.6	-174.9	-57.3	-80.9	0	0	0	110	E297 T375 E376 D378 V385	E297-H383 IonicContact OE1-CG 3.9Å; E297-H383 IonicContact OE1-ND1 3.53Å; E297-H383 PolarHBondContact OE1-ND1 2.82Å; E297-H383 IonicContact OE2-CE1 3.86Å; E297-H383 IonicContact OE2-CG 2.75Å; E297-H383 IonicContact OE2-ND1 2.7Å; E297-H383 PolarHBondContact OE2-ND1 2.88Å; T375-H383 CarbonylContact C-O 3.4Å; T375-H383 WeakPolarHBondContact CA-O 3.45Å; T375-H383 WeakPolarHBondContact CB-O 3.48Å; E376-H383 PolarHBondContact N-O 2.92Å; E376-H383 PolarHBondContact O-CD2 2.87Å; E376-H383 PolarHBondContact O-N 2.84Å; D378-H383 IonicContact OD1-CD2 3.32Å; D378-H383 IonicContact OD1-NE2 2.84Å; D378-H383 PolarHBondContact OD1-NE2 2.86Å; D378-H383 IonicContact OD2-CD2 2.71Å; D378-H383 IonicContact OD2-NE2 3.75Å; D378-H383 PolarHBondContact OD2-NE2 2.81Å; H383-V385 PolarHBondContact O-N 2.91Å
384	I	98.4	Very high	96.7	Very high	3 Å²	3	37 Å²	37	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	129.6	-180	-174.6	167.7	0	0	0	111.5	L270 E297 L300 L349 V373 L406 Y409	L270-I384 HydrophobicContact CD2-CG2 4.24Å; E297-I384 HydrophobicContact CG-CG2 4.45Å; L300-I384 HydrophobicContact CD1-CD1 4.49Å; L300-I384 HydrophobicContact CD2-CG2 4.46Å; L349-I384 HydrophobicContact CD1-CD1 3.76Å; V373-I384 HydrophobicContact CG1-CB 4.49Å; V373-I384 HydrophobicContact CG1-CD1 3.74Å; V373-I384 HydrophobicContact CG1-CG1 3.81Å; I384-L406 HydrophobicContact CG1-CD1 4.17Å; I384-L406 HydrophobicContact CG2-CD1 3.89Å; I384-Y409 WeakPolarHBondContact O-CE2 3.31Å
385	V	98.1	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-40	178.2	174.4	0	0	0	0	110.8	M374 E376 H383 L406 Y409 Y414	M374-V385 HydrophobicContact CE-CB 4.21Å; M374-V385 HydrophobicContact CE-CG1 3.72Å; M374-V385 PolarHBondContact O-N 2.81Å; E376-V385 HydrophobicContact CB-CG2 4.05Å; E376-V385 HydrophobicContact CG-CG2 3.8Å; H383-V385 PolarHBondContact O-N 2.91Å; V385-L406 WeakPolarHBondContact O-CB 3.43Å; V385-L406 PolarHBondContact O-N 3.07Å; V385-Y409 HydrophobicContact CB-CD2 4.27Å; V385-Y409 HydrophobicContact CB-CG 4.41Å; V385-Y409 HydrophobicContact CG1-CD1 4.37Å; V385-Y409 HydrophobicContact CG1-CD2 4.08Å; V385-Y409 HydrophobicContact CG1-CG 3.81Å; V385-Y409 HydrophobicContact CG2-CD1 4.43Å; V385-Y409 HydrophobicContact CG2-CD2 4.38Å; V385-Y409 HydrophobicContact CG2-CE1 4.46Å; V385-Y409 HydrophobicContact CG2-CE2 4.4Å; V385-Y409 HydrophobicContact CG2-CG 4.41Å; V385-Y414 HydrophobicContact CG1-CD1 4.1Å; V385-Y414 HydrophobicContact CG1-CD2 3.44Å; V385-Y414 VanDerWaalsContact CG1-CD2 3.44Å; V385-Y414 HydrophobicContact CG1-CE1 4.48Å; V385-Y414 HydrophobicContact CG1-CE2 3.8Å; V385-Y414 HydrophobicContact CG1-CG 3.61Å
386	G	98.4	Very high	95.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	176.4	-178.5	0	0	0	0	0	110.9	M374 L404	M374-G386 PolarHBondContact N-O 3.15Å; M374-G386 PolarHBondContact O-N 3.42Å; G386-L404 CarbonylContact C-O 3.53Å; G386-L404 WeakPolarHBondContact CA-O 3.47Å
387	Y	98.8	Very high	95.4	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.5	176.1	84.3	-74.6	0	0	0	110.7	L349 A353 F371 Y372 L404	L349-Y387 HydrophobicContact CD1-CD1 3.8Å; L349-Y387 HydrophobicContact CD1-CE1 4.04Å; L349-Y387 HydrophobicContact CD1-CG 4.18Å; L349-Y387 HydrophobicContact CD2-CD1 4.32Å; L349-Y387 HydrophobicContact CD2-CD2 3.8Å; L349-Y387 HydrophobicContact CD2-CE2 4.16Å; L349-Y387 HydrophobicContact CD2-CG 3.89Å; L349-Y387 HydrophobicContact CG-CD1 4.21Å; L349-Y387 HydrophobicContact CG-CD2 4.34Å; L349-Y387 HydrophobicContact CG-CE1 4.2Å; L349-Y387 HydrophobicContact CG-CE2 4.35Å; L349-Y387 HydrophobicContact CG-CG 4.28Å; A353-Y387 HydrophobicContact CB-CE1 3.54Å; A353-Y387 WeakPolarHBondContact CB-OH 3.34Å; F371-Y387 AromaticContact CD1-CD2 4Å; F371-Y387 HydrophobicContact CD1-CD2 4Å; F371-Y387 AromaticContact CD1-CE2 3.8Å; F371-Y387 HydrophobicContact CD1-CE2 3.8Å; F371-Y387 HydrophobicContact CE1-CE2 4.26Å; Y372-Y387 WeakPolarHBondContact O-CA 3.34Å; Y372-Y387 WeakPolarHBondContact O-CB 3.43Å; Y387-L404 HydrophobicContact CD1-CB 4.16Å; Y387-L404 HydrophobicContact CE1-CB 3.9Å; Y387-L404 HydrophobicContact CE1-CD2 4.22Å; Y387-L404 PolarHBondContact N-O 2.76Å; Y387-L404 PolarHBondContact O-N 2.97Å
388	F	98.7	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.7	154.6	66.4	-88.5	0	0	0	111.1	F334 Y372 V400 C402 I403 L418 F421 L425	F334-F388 HydrophobicContact CE1-CE1 4.2Å; Y372-F388 HydrophobicContact CD1-CZ 4.36Å; Y372-F388 AromaticContact CD2-CD2 3.82Å; Y372-F388 HydrophobicContact CD2-CD2 3.82Å; Y372-F388 HydrophobicContact CD2-CE1 4.41Å; Y372-F388 AromaticContact CD2-CE2 3.19Å; Y372-F388 HydrophobicContact CD2-CE2 3.19Å; Y372-F388 AromaticContact CD2-CZ 3.54Å; Y372-F388 HydrophobicContact CD2-CZ 3.54Å; Y372-F388 AromaticContact CE2-CE2 3.86Å; Y372-F388 HydrophobicContact CE2-CE2 3.86Å; Y372-F388 HydrophobicContact CE2-CZ 4.34Å; Y372-F388 HydrophobicContact CG-CD2 4.43Å; Y372-F388 HydrophobicContact CG-CE1 4.13Å; Y372-F388 AromaticContact CG-CE2 3.73Å; Y372-F388 HydrophobicContact CG-CE2 3.73Å; Y372-F388 AromaticContact CG-CZ 3.54Å; Y372-F388 HydrophobicContact CG-CZ 3.54Å; Y372-F388 PolarHBondContact N-O 3.14Å; Y372-F388 PolarHBondContact O-N 2.84Å; F388-V400 HydrophobicContact CB-CG1 4.18Å; F388-V400 HydrophobicContact CD2-CG2 3.95Å; F388-V400 HydrophobicContact CE2-CG2 4.44Å; F388-V400 HydrophobicContact CG-CG2 4.36Å; F388-C402 CarbonylContact C-O 3.51Å; F388-C402 WeakPolarHBondContact CA-O 3.33Å; F388-C402 WeakPolarHBondContact CB-O 3.43Å; F388-I403 HydrophobicContact CB-CB 3.98Å; F388-I403 HydrophobicContact CB-CD1 4.43Å; F388-I403 HydrophobicContact CB-CG1 4.06Å; F388-L418 HydrophobicContact CD1-CD2 4.28Å; F388-F421 AromaticContact CE1-CD1 3.85Å; F388-F421 HydrophobicContact CE1-CD1 3.85Å; F388-F421 AromaticContact CZ-CD1 3.96Å; F388-F421 HydrophobicContact CZ-CD1 3.96Å; F388-L425 HydrophobicContact CE2-CD1 4.29Å; F388-L425 HydrophobicContact CZ-CD1 3.82Å
389	S	98.2	Very high	95.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	150.8	170	55.7	0	0	0	0	110.8	L370 A401 C402	L370-S389 CarbonylContact O-C 3.52Å; L370-S389 WeakPolarHBondContact O-CA 3.03Å; S389-A401 PolarHBondContact O-N 2.56Å; S389-C402 PolarHBondContact N-O 2.9Å; S389-C402 WeakPolarHBondContact OG-CB 3.37Å; S389-C402 PolarHBondContact OG-N 3.34Å
390	K	97	Very high	95.5	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.7	177	-176.4	-179.2	175.8	177.6	0	108.6	F369 L370 Y372 N399 E429	F369-K390 WeakPolarHBondContact CA-O 3.5Å; L370-K390 PolarHBondContact N-O 3.19Å; L370-K390 PolarHBondContact O-N 3.15Å; Y372-K390 HydrophobicContact CE2-CB 3.97Å; Y372-K390 HydrophobicContact CE2-CD 4.34Å; K390-N399 WeakPolarHBondContact CG-O 3.21Å; K390-E429 IonicContact NZ-OE1 3.91Å; K390-E429 PolarHBondContact NZ-OE1 3.49Å; K390-E429 IonicContact NZ-OE2 2.81Å; K390-E429 PolarHBondContact NZ-OE2 2.85Å
391	E	95.3	Very high	95.5	Very high	61 Å²	61	33.5 Å²	33.5	29%	0.285	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.9	171.9	-69.4	-178.3	-113.6	0	0	110.2	F369 E393	F369-E391 HydrophobicContact CD1-CG 3.82Å; F369-E391 HydrophobicContact CE1-CG 3.33Å; F369-E391 HydrophobicContact CZ-CG 4.05Å; E391-E393 PolarHBondContact O-N 3.4Å
392	K	94.4	Very high	95.5	Very high	36 Å²	36	34.4 Å²	34.4	16%	0.157	18%	0.178	C	C	.	.	S	Bend	trans	-63.5	-35.5	175.7	-73.4	168.6	176.9	173.9	0	111.3	D338 D367 P368 L370 W540	D338-K392 WeakPolarHBondContact OD1-CE 3.35Å; D338-K392 IonicContact OD1-NZ 3.07Å; D338-K392 PolarHBondContact OD1-NZ 3.5Å; D338-K392 IonicContact OD2-NZ 2.74Å; D367-K392 WeakPolarHBondContact O-CE 3.43Å; D367-K392 PolarHBondContact O-NZ 2.91Å; P368-K392 WeakPolarHBondContact O-CB 3.12Å; P368-K392 WeakPolarHBondContact O-CG 3.16Å; P368-K392 PolarHBondContact O-N 3.48Å; L370-K392 HydrophobicContact CD2-CG 4.42Å; L370-K392 HydrophobicContact CG-CG 4Å; K392-W540 HydrophobicContact CB-CB 4.16Å; K392-W540 HydrophobicContact CB-CD2 3.91Å; K392-W540 HydrophobicContact CB-CE3 4.39Å; K392-W540 HydrophobicContact CB-CG 3.77Å; K392-W540 HydrophobicContact CD-CD2 3.91Å; K392-W540 HydrophobicContact CD-CE3 3.66Å; K392-W540 HydrophobicContact CD-CH2 4.08Å; K392-W540 HydrophobicContact CD-CZ2 4.32Å; K392-W540 HydrophobicContact CD-CZ3 3.75Å; K392-W540 HydrophobicContact CG-CD2 3.8Å; K392-W540 HydrophobicContact CG-CE3 4.1Å; K392-W540 HydrophobicContact CG-CG 4.18Å; K392-W540 HydrophobicContact CG-CH2 4.48Å; K392-W540 HydrophobicContact CG-CZ2 4.21Å; K392-W540 HydrophobicContact CG-CZ3 4.42Å
393	E	91.9	Very high	95.5	Very high	120 Å²	120	35 Å²	35	56%	0.561	18%	0.182	S	C	*	.	S	Bend	trans	-137.2	108.7	177.8	-66.1	176.8	-159.9	0	0	107.5	E391 W540 S541	E391-E393 PolarHBondContact O-N 3.4Å; E393-W540 HydrophobicContact CG-CB 3.95Å; E393-S541 WeakPolarHBondContact OE1-CA 3.27Å; E393-S541 PolarHBondContact OE1-N 2.89Å
394	S	89.8	Confident	95.5	Very high	26 Å²	26	34.7 Å²	34.7	18%	0.182	18%	0.181	C	C	.	.			trans	-107.9	125.5	177.2	172.4	0	0	0	0	108.9	E396 D397 Y398	S394-E396 VanDerWaalsContact C-N 3.29Å; S394-E396 PolarHBondContact O-N 3.07Å; S394-E396 PolarHBondContact OG-N 3.06Å; S394-D397 PolarHBondContact OG-N 3Å; S394-Y398 PolarHBondContact OG-N 3.39Å
395	T	87.1	Confident	95.4	Very high	135 Å²	135	35.3 Å²	35.3	83%	0.828	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.3	174.2	53.8	0	0	0	0	112
396	E	88.2	Confident	95.4	Very high	103 Å²	103	35.6 Å²	35.6	48%	0.481	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	12.4	-176.9	-63.1	-60.6	136.1	0	0	113.3	S394 Y398 K484	S394-E396 VanDerWaalsContact C-N 3.29Å; S394-E396 PolarHBondContact O-N 3.07Å; S394-E396 PolarHBondContact OG-N 3.06Å; E396-Y398 HydrophobicContact CB-CD1 4.1Å; E396-Y398 HydrophobicContact CB-CD2 3.91Å; E396-Y398 HydrophobicContact CB-CE1 3.75Å; E396-Y398 HydrophobicContact CB-CE2 3.56Å; E396-Y398 HydrophobicContact CB-CG 4.16Å; E396-Y398 VanDerWaalsContact CB-CZ 3.45Å; E396-Y398 HydrophobicContact CG-CE2 3.96Å; E396-Y398 PolarHBondContact O-N 2.8Å; E396-K484 PolarHBondContact O-NZ 3.21Å
397	D	91.8	Very high	95.3	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	20%	0.196	S	C	.	.			trans	48.2	42.4	-173.8	-62.9	-51.4	0	0	0	113.8	S394 N399 G433	S394-D397 PolarHBondContact OG-N 3Å; D397-N399 PolarHBondContact O-N 2.94Å; D397-G433 WeakPolarHBondContact O-CA 3.47Å
398	Y	96.3	Very high	95.2	Very high	53 Å²	53	38.4 Å²	38.4	21%	0.208	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.6	171.6	-62.9	-36.5	0	0	0	110.2	S394 E396 T434 E436	S394-Y398 PolarHBondContact OG-N 3.39Å; E396-Y398 HydrophobicContact CB-CD1 4.1Å; E396-Y398 HydrophobicContact CB-CD2 3.91Å; E396-Y398 HydrophobicContact CB-CE1 3.75Å; E396-Y398 HydrophobicContact CB-CE2 3.56Å; E396-Y398 HydrophobicContact CB-CG 4.16Å; E396-Y398 VanDerWaalsContact CB-CZ 3.45Å; E396-Y398 HydrophobicContact CG-CE2 3.96Å; E396-Y398 PolarHBondContact O-N 2.8Å; Y398-T434 WeakPolarHBondContact CA-O 3.46Å; Y398-T434 HydrophobicContact CD1-CG2 3.62Å; Y398-T434 HydrophobicContact CE1-CG2 3.78Å; Y398-E436 HydrophobicContact CD2-CB 3.9Å; Y398-E436 HydrophobicContact CD2-CG 3.97Å; Y398-E436 HydrophobicContact CE2-CB 4.18Å; Y398-E436 HydrophobicContact CE2-CG 3.9Å; Y398-E436 HydrophobicContact CG-CB 4.17Å
399	N	96.9	Very high	95.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-11.6	174.9	67.4	-11.4	0	0	0	112.7	K390 D397 Y423 S426 T434	K390-N399 WeakPolarHBondContact CG-O 3.21Å; D397-N399 PolarHBondContact O-N 2.94Å; N399-Y423 WeakPolarHBondContact ND2-CE1 3.37Å; N399-S426 WeakPolarHBondContact CB-OG 3.29Å; N399-S426 PolarHBondContact ND2-OG 3.13Å; N399-T434 PolarHBondContact N-O 2.92Å; N399-T434 VanDerWaalsContact OD1-C 3.26Å; N399-T434 PolarHBondContact OD1-O 3.39Å
400	V	98	Very high	95	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.8	176.2	173.7	0	0	0	0	109.1	F388 I403 S422 P435 E436 Y447	F388-V400 HydrophobicContact CB-CG1 4.18Å; F388-V400 HydrophobicContact CD2-CG2 3.95Å; F388-V400 HydrophobicContact CE2-CG2 4.44Å; F388-V400 HydrophobicContact CG-CG2 4.36Å; V400-I403 HydrophobicContact CG1-CB 3.91Å; V400-I403 HydrophobicContact CG1-CG2 4.23Å; V400-S422 VanDerWaalsContact CG2-CB 3.45Å; V400-S422 WeakPolarHBondContact CG2-OG 3.41Å; V400-P435 HydrophobicContact CB-CB 4.31Å; V400-P435 WeakPolarHBondContact O-CA 3.16Å; V400-E436 PolarHBondContact O-N 3.28Å; V400-Y447 WeakPolarHBondContact CG2-OH 3.45Å
401	A	95.5	Very high	94.7	Very high	16 Å²	16	50.9 Å²	50.9	13%	0.132	25%	0.253	C	S	.	.	S	Bend	trans	-92.8	-55.5	171	0	0	0	0	0	111.2	F369 S389 E436	F369-A401 HydrophobicContact CD1-CB 4.45Å; F369-A401 HydrophobicContact CE1-CB 3.95Å; S389-A401 PolarHBondContact O-N 2.56Å; A401-E436 VanDerWaalsContact CA-OE2 3.22Å; A401-E436 WeakPolarHBondContact CA-OE2 3.47Å; A401-E436 WeakPolarHBondContact CB-OE2 3.25Å
402	C	96.3	Very high	94.7	Very high	25 Å²	25	54.8 Å²	54.8	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.6	174	-65.9	0	0	0	0	109.6	L357 F388 S389	L357-C402 HydrophobicContact CD1-CB 4.17Å; F388-C402 CarbonylContact C-O 3.51Å; F388-C402 WeakPolarHBondContact CA-O 3.33Å; F388-C402 WeakPolarHBondContact CB-O 3.43Å; S389-C402 PolarHBondContact N-O 2.9Å; S389-C402 WeakPolarHBondContact OG-CB 3.37Å; S389-C402 PolarHBondContact OG-N 3.34Å
403	I	97.9	Very high	94.7	Very high	34 Å²	34	54.9 Å²	54.9	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.4	174.9	-176	164.5	0	0	0	110	F388 V400 L418 I419 Y447	F388-I403 HydrophobicContact CB-CB 3.98Å; F388-I403 HydrophobicContact CB-CD1 4.43Å; F388-I403 HydrophobicContact CB-CG1 4.06Å; V400-I403 HydrophobicContact CG1-CB 3.91Å; V400-I403 HydrophobicContact CG1-CG2 4.23Å; I403-L418 HydrophobicContact CD1-CB 3.65Å; I403-L418 HydrophobicContact CD1-CD1 4.45Å; I403-L418 HydrophobicContact CG1-CB 4.2Å; I403-L418 HydrophobicContact CG1-CD1 4.12Å; I403-I419 HydrophobicContact CD1-CG1 3.71Å; I403-Y447 HydrophobicContact CG2-CE2 4.42Å
404	L	97.6	Very high	94.9	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.2	-179.2	178.2	64.8	0	0	0	110.9	A353 F356 L357 G386 Y387 L406	A353-L404 HydrophobicContact CB-CD2 3.99Å; F356-L404 HydrophobicContact CB-CD1 3.79Å; F356-L404 HydrophobicContact CB-CD2 4.19Å; F356-L404 HydrophobicContact CD2-CD2 4.14Å; L357-L404 HydrophobicContact CD1-CB 4.49Å; L357-L404 HydrophobicContact CD2-CD1 4.37Å; G386-L404 CarbonylContact C-O 3.53Å; G386-L404 WeakPolarHBondContact CA-O 3.47Å; Y387-L404 HydrophobicContact CD1-CB 4.16Å; Y387-L404 HydrophobicContact CE1-CB 3.9Å; Y387-L404 HydrophobicContact CE1-CD2 4.22Å; Y387-L404 PolarHBondContact N-O 2.76Å; Y387-L404 PolarHBondContact O-N 2.97Å; L404-L406 HydrophobicContact CD2-CD2 4.17Å
405	T	98.3	Very high	95.3	Very high	16 Å²	16	50 Å²	50	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126	157.2	-56.7	0	0	0	0	108.1	Q410 G415	T405-Q410 HydrophobicContact CG2-CG 4.15Å; T405-Q410 PolarHBondContact O-NE2 3.33Å; T405-G415 WeakPolarHBondContact OG1-CA 3.35Å; T405-G415 PolarHBondContact OG1-N 2.85Å
406	L	97.6	Very high	95.7	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	22%	0.223	C	C	.	.			trans	-60.5	144.7	-179.3	-67	174	0	0	0	110.4	L270 L352 F356 I384 V385 L404 P408 Y409 Q410	L270-L406 HydrophobicContact CD2-CD1 3.9Å; L352-L406 HydrophobicContact CD2-CD2 4.25Å; L352-L406 HydrophobicContact CG-CD2 4.42Å; F356-L406 HydrophobicContact CE2-CD2 4.4Å; I384-L406 HydrophobicContact CG1-CD1 4.17Å; I384-L406 HydrophobicContact CG2-CD1 3.89Å; V385-L406 WeakPolarHBondContact O-CB 3.43Å; V385-L406 PolarHBondContact O-N 3.07Å; L404-L406 HydrophobicContact CD2-CD2 4.17Å; L406-P408 VanDerWaalsContact O-N 3.13Å; L406-Y409 HydrophobicContact CB-CD2 4.08Å; L406-Y409 PolarHBondContact O-N 3.26Å; L406-Q410 PolarHBondContact O-N 3.43Å
407	P	96	Very high	96.2	Very high	32 Å²	32	40.5 Å²	40.5	21%	0.208	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-48.3	-42.9	-171.4	-28.1	33	0	0	0	116.5	W278 F356 Y409 Q410	W278-P407 HydrophobicContact CZ2-CB 4.31Å; W278-P407 HydrophobicContact CZ2-CG 4.08Å; F356-P407 HydrophobicContact CD1-CG 3.67Å; F356-P407 HydrophobicContact CE1-CG 3.52Å; F356-P407 HydrophobicContact CE2-CG 4.48Å; F356-P407 HydrophobicContact CG-CG 4.23Å; F356-P407 HydrophobicContact CZ-CG 3.96Å; P407-Y409 PolarHBondContact O-N 3.32Å; P407-Y409 VanDerWaalsContact O-N 3.13Å; P407-Q410 PolarHBondContact O-N 2.97Å
408	P	96.9	Very high	96.5	Very high	31 Å²	31	36.9 Å²	36.9	20%	0.201	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.4	-20.5	-178.4	-21.4	34.4	0	0	0	114.3	H273 L275 L406 R412	H273-P408 HydrophobicContact CB-CG 3.95Å; L275-P408 HydrophobicContact CD2-CG 3.33Å; L406-P408 VanDerWaalsContact O-N 3.13Å; P408-R412 PolarHBondContact O-NE 3.01Å; P408-R412 PolarHBondContact O-NH2 3.19Å
409	Y	96.9	Very high	96.6	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-107	2.2	-174.5	-55	-69.3	0	0	0	112.9	H273 I384 V385 L406 P407 Y414	H273-Y409 AromaticContact NE2-CZ 3.52Å; H273-Y409 PolarHBondContact NE2-OH 3.15Å; I384-Y409 WeakPolarHBondContact O-CE2 3.31Å; V385-Y409 HydrophobicContact CB-CD2 4.27Å; V385-Y409 HydrophobicContact CB-CG 4.41Å; V385-Y409 HydrophobicContact CG1-CD1 4.37Å; V385-Y409 HydrophobicContact CG1-CD2 4.08Å; V385-Y409 HydrophobicContact CG1-CG 3.81Å; V385-Y409 HydrophobicContact CG2-CD1 4.43Å; V385-Y409 HydrophobicContact CG2-CD2 4.38Å; V385-Y409 HydrophobicContact CG2-CE1 4.46Å; V385-Y409 HydrophobicContact CG2-CE2 4.4Å; V385-Y409 HydrophobicContact CG2-CG 4.41Å; L406-Y409 HydrophobicContact CB-CD2 4.08Å; L406-Y409 PolarHBondContact O-N 3.26Å; P407-Y409 PolarHBondContact O-N 3.32Å; P407-Y409 VanDerWaalsContact O-N 3.13Å; Y409-Y414 HydrophobicContact CD1-CE2 4.44Å; Y409-Y414 WeakPolarHBondContact O-CD2 3.32Å
410	Q	94.4	Very high	96.7	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	157.4	175.1	-68.7	177.7	3.7	0	0	111.5	W278 T405 L406 P407 R412	W278-Q410 VanDerWaalsContact CH2-NE2 3.33Å; T405-Q410 HydrophobicContact CG2-CG 4.15Å; T405-Q410 PolarHBondContact O-NE2 3.33Å; L406-Q410 PolarHBondContact O-N 3.43Å; P407-Q410 PolarHBondContact O-N 2.97Å; Q410-R412 PolarHBondContact O-N 3.38Å; Q410-R412 VanDerWaalsContact O-N 3.15Å
411	R	91.8	Very high	96.7	Very high	233 Å²	233	34.6 Å²	34.6	88%	0.879	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	13.9	-177.9	-55.3	-180	175.6	175	-4.5	115.4
412	R	94.2	Very high	96.8	Very high	143 Å²	143	33.9 Å²	33.9	54%	0.54	17%	0.167	S	C	.	.	S	Bend	trans	-102.5	10	174.9	-55.2	-175.5	-168.6	-154.6	1.1	114.3	P408 Q410 Y414 L526	P408-R412 PolarHBondContact O-NE 3.01Å; P408-R412 PolarHBondContact O-NH2 3.19Å; Q410-R412 PolarHBondContact O-N 3.38Å; Q410-R412 VanDerWaalsContact O-N 3.15Å; R412-Y414 HydrophobicContact CB-CD2 3.93Å; R412-Y414 HydrophobicContact CB-CE2 4.07Å; R412-L526 WeakPolarHBondContact O-CD1 3.45Å
413	G	94.5	Very high	97	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	16%	0.159	S	C	.	.	S	Bend	trans	89.4	-11.8	-177.5	0	0	0	0	0	115.3	G415 K416 L417	G413-G415 VanDerWaalsContact C-N 3.35Å; G413-G415 PolarHBondContact O-N 3.26Å; G413-K416 PolarHBondContact O-N 2.95Å; G413-K416 VanDerWaalsContact O-N 3.09Å; G413-L417 PolarHBondContact O-N 2.77Å; G413-L417 VanDerWaalsContact O-N 3.11Å
414	Y	97.5	Very high	97	Very high	22 Å²	22	32.1 Å²	32.1	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-36.6	-178.4	-73.7	-45.6	0	0	0	115.6	I332 M374 E376 V385 Y409 R412 K416 L417 L418 L526	I332-Y414 HydrophobicContact CD1-CE1 3.71Å; M374-Y414 HydrophobicContact CE-CD1 3.56Å; M374-Y414 HydrophobicContact CE-CG 3.77Å; M374-Y414 HydrophobicContact SD-CD1 4.08Å; E376-Y414 VanDerWaalsContact OE1-CE2 3.32Å; E376-Y414 WeakPolarHBondContact OE1-CE2 3.36Å; E376-Y414 PolarHBondContact OE1-OH 3.08Å; V385-Y414 HydrophobicContact CG1-CD1 4.1Å; V385-Y414 HydrophobicContact CG1-CD2 3.44Å; V385-Y414 VanDerWaalsContact CG1-CD2 3.44Å; V385-Y414 HydrophobicContact CG1-CE1 4.48Å; V385-Y414 HydrophobicContact CG1-CE2 3.8Å; V385-Y414 HydrophobicContact CG1-CG 3.61Å; Y409-Y414 HydrophobicContact CD1-CE2 4.44Å; Y409-Y414 WeakPolarHBondContact O-CD2 3.32Å; R412-Y414 HydrophobicContact CB-CD2 3.93Å; R412-Y414 HydrophobicContact CB-CE2 4.07Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 2.92Å; Y414-L417 HydrophobicContact CD1-CD2 4.27Å; Y414-L417 WeakPolarHBondContact O-CB 3.49Å; Y414-L417 PolarHBondContact O-N 3.12Å; Y414-L417 VanDerWaalsContact O-N 3.16Å; Y414-L418 WeakPolarHBondContact O-CG 3.34Å; Y414-L418 PolarHBondContact O-N 3.24Å; Y414-L526 HydrophobicContact CD1-CD1 4.04Å; Y414-L526 HydrophobicContact CE1-CD1 3.72Å
415	G	96.8	Very high	97	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-41.4	175.4	0	0	0	0	0	112.3	T405 G413 L417 L418 I419	T405-G415 WeakPolarHBondContact OG1-CA 3.35Å; T405-G415 PolarHBondContact OG1-N 2.85Å; G413-G415 VanDerWaalsContact C-N 3.35Å; G413-G415 PolarHBondContact O-N 3.26Å; G415-L417 VanDerWaalsContact C-N 3.35Å; G415-L418 PolarHBondContact O-N 3.16Å; G415-I419 VanDerWaalsContact O-CG1 3.32Å; G415-I419 WeakPolarHBondContact O-CG1 3.38Å; G415-I419 PolarHBondContact O-N 2.93Å
416	K	96.3	Very high	96.9	Very high	35 Å²	35	31 Å²	31	15%	0.152	15%	0.149	C	C	.	.	H	α-helix	trans	-69.9	-34	176.2	-173.2	168.5	-74.5	-176.7	0	111.8	G413 Y414 I419 E420 S449 Y450 Q453	G413-K416 PolarHBondContact O-N 2.95Å; G413-K416 VanDerWaalsContact O-N 3.09Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 2.92Å; K416-I419 PolarHBondContact O-N 2.72Å; K416-E420 WeakPolarHBondContact O-CB 3.4Å; K416-E420 PolarHBondContact O-N 3.1Å; K416-S449 PolarHBondContact NZ-OG 3.12Å; K416-Y450 HydrophobicContact CG-CD2 4.05Å; K416-Q453 VanDerWaalsContact NZ-NE2 3.19Å
417	L	98	Very high	96.9	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-40.7	176	-161	67.7	0	0	0	112.2	I332 M374 G413 Y414 G415 E420 F421 L526 I528	I332-L417 HydrophobicContact CG2-CD2 4.06Å; M374-L417 HydrophobicContact SD-CB 4.45Å; M374-L417 HydrophobicContact SD-CD2 3.86Å; M374-L417 HydrophobicContact SD-CG 4.37Å; G413-L417 PolarHBondContact O-N 2.77Å; G413-L417 VanDerWaalsContact O-N 3.11Å; Y414-L417 HydrophobicContact CD1-CD2 4.27Å; Y414-L417 WeakPolarHBondContact O-CB 3.49Å; Y414-L417 PolarHBondContact O-N 3.12Å; Y414-L417 VanDerWaalsContact O-N 3.16Å; G415-L417 VanDerWaalsContact C-N 3.35Å; L417-E420 PolarHBondContact O-N 3.23Å; L417-F421 WeakPolarHBondContact O-CB 3.42Å; L417-F421 PolarHBondContact O-N 3.21Å; L417-L526 HydrophobicContact CD1-CB 4.23Å; L417-L526 HydrophobicContact CD2-CB 4.47Å; L417-I528 HydrophobicContact CD1-CD1 3.51Å; L417-I528 HydrophobicContact CD1-CG1 3.79Å; L417-I528 HydrophobicContact CD2-CD1 4.43Å; L417-I528 HydrophobicContact CG-CD1 3.68Å; L417-I528 HydrophobicContact CG-CG1 4.3Å
418	L	98.7	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-44.1	173.2	-70.6	169.1	0	0	0	111.6	F334 M374 F388 I403 Y414 G415 F421 S422	F334-L418 HydrophobicContact CE1-CD2 3.64Å; F334-L418 HydrophobicContact CZ-CD2 3.91Å; M374-L418 HydrophobicContact CB-CD2 3.68Å; M374-L418 HydrophobicContact CE-CD1 4.17Å; M374-L418 HydrophobicContact CE-CD2 3.82Å; M374-L418 HydrophobicContact CE-CG 3.7Å; M374-L418 HydrophobicContact CG-CD2 4.48Å; M374-L418 HydrophobicContact SD-CD2 4.04Å; M374-L418 HydrophobicContact SD-CG 4.27Å; F388-L418 HydrophobicContact CD1-CD2 4.28Å; I403-L418 HydrophobicContact CD1-CB 3.65Å; I403-L418 HydrophobicContact CD1-CD1 4.45Å; I403-L418 HydrophobicContact CG1-CB 4.2Å; I403-L418 HydrophobicContact CG1-CD1 4.12Å; Y414-L418 WeakPolarHBondContact O-CG 3.34Å; Y414-L418 PolarHBondContact O-N 3.24Å; G415-L418 PolarHBondContact O-N 3.16Å; L418-F421 PolarHBondContact O-N 3.47Å; L418-S422 PolarHBondContact O-N 2.89Å
419	I	98.6	Very high	96.8	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-47	176.5	-65	167.6	0	0	0	110.7	I403 G415 K416 F421 S422 Y423 Y447 Y450	I403-I419 HydrophobicContact CD1-CG1 3.71Å; G415-I419 VanDerWaalsContact O-CG1 3.32Å; G415-I419 WeakPolarHBondContact O-CG1 3.38Å; G415-I419 PolarHBondContact O-N 2.93Å; K416-I419 PolarHBondContact O-N 2.72Å; I419-F421 VanDerWaalsContact C-N 3.3Å; I419-F421 PolarHBondContact O-N 3.5Å; I419-S422 PolarHBondContact O-N 3Å; I419-S422 PolarHBondContact O-OG 2.87Å; I419-Y423 HydrophobicContact CG2-CD2 4.01Å; I419-Y423 HydrophobicContact CG2-CE2 3.97Å; I419-Y423 WeakPolarHBondContact O-CD2 3.4Å; I419-Y423 PolarHBondContact O-N 3.29Å; I419-Y447 HydrophobicContact CB-CE1 4.5Å; I419-Y447 HydrophobicContact CD1-CD1 4.38Å; I419-Y447 HydrophobicContact CD1-CD2 3.84Å; I419-Y447 HydrophobicContact CD1-CE1 4.46Å; I419-Y447 HydrophobicContact CD1-CE2 3.91Å; I419-Y447 HydrophobicContact CD1-CG 4.08Å; I419-Y447 HydrophobicContact CG1-CD2 4.33Å; I419-Y447 HydrophobicContact CG1-CE1 4.15Å; I419-Y447 HydrophobicContact CG1-CE2 3.91Å; I419-Y447 HydrophobicContact CG2-CD1 3.91Å; I419-Y447 HydrophobicContact CG2-CE1 3.64Å; I419-Y450 HydrophobicContact CB-CG 4.44Å; I419-Y450 HydrophobicContact CG2-CD1 3.45Å; I419-Y450 VanDerWaalsContact CG2-CD1 3.45Å; I419-Y450 HydrophobicContact CG2-CD2 4.11Å; I419-Y450 HydrophobicContact CG2-CE1 3.91Å; I419-Y450 HydrophobicContact CG2-CE2 4.5Å; I419-Y450 HydrophobicContact CG2-CG 3.57Å
420	E	98.4	Very high	96.7	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-44.3	177.9	-173.8	166.2	-139.5	0	0	110.9	K416 L417 S422 Y423 E424 Y450 R524 R527 I528	K416-E420 WeakPolarHBondContact O-CB 3.4Å; K416-E420 PolarHBondContact O-N 3.1Å; L417-E420 PolarHBondContact O-N 3.23Å; E420-S422 VanDerWaalsContact C-N 3.34Å; E420-S422 PolarHBondContact O-N 3.38Å; E420-Y423 PolarHBondContact O-N 3.05Å; E420-E424 WeakPolarHBondContact O-CG 3.49Å; E420-E424 PolarHBondContact O-N 3.03Å; E420-Y450 HydrophobicContact CB-CD2 4.36Å; E420-Y450 HydrophobicContact CB-CE2 3.63Å; E420-Y450 HydrophobicContact CG-CE2 3.95Å; E420-R524 IonicContact OE1-NH2 3.44Å; E420-R524 PolarHBondContact OE1-NH2 3.28Å; E420-R524 IonicContact OE2-CZ 2.72Å; E420-R524 IonicContact OE2-NH2 3.55Å; E420-R524 PolarHBondContact OE2-NH2 3.01Å; E420-R527 IonicContact OE1-CZ 3.96Å; E420-R527 VanDerWaalsContact OE1-CZ 3.32Å; E420-R527 IonicContact OE1-NE 3.72Å; E420-R527 PolarHBondContact OE1-NE 3.22Å; E420-R527 IonicContact OE1-NH2 2.81Å; E420-R527 PolarHBondContact OE1-NH2 2.94Å; E420-R527 VanDerWaalsContact OE1-NH2 3.07Å; E420-R527 WeakPolarHBondContact OE2-CA 3.35Å; E420-R527 IonicContact OE2-NE 3.94Å; E420-I528 HydrophobicContact CB-CG1 4.07Å; E420-I528 HydrophobicContact CG-CB 4Å; E420-I528 HydrophobicContact CG-CG1 3.9Å; E420-I528 PolarHBondContact OE2-N 2.65Å
421	F	98.7	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-40.1	177.1	-165.7	-97.8	0	0	0	112.7	I326 Y327 F334 Y372 F388 L417 L418 I419 Y423 E424 L425 I528 L533	I326-F421 HydrophobicContact CD1-CE1 3.9Å; I326-F421 HydrophobicContact CD1-CZ 3.72Å; I326-F421 HydrophobicContact CG1-CZ 4.08Å; Y327-F421 HydrophobicContact CD1-CE2 4.42Å; Y327-F421 AromaticContact CD2-CE2 3.93Å; Y327-F421 HydrophobicContact CD2-CE2 3.93Å; Y327-F421 HydrophobicContact CG-CD2 4.47Å; Y327-F421 AromaticContact CG-CE2 3.72Å; Y327-F421 HydrophobicContact CG-CE2 3.72Å; F334-F421 HydrophobicContact CB-CE1 3.93Å; F334-F421 HydrophobicContact CB-CE2 4.19Å; F334-F421 HydrophobicContact CB-CZ 3.69Å; F334-F421 AromaticContact CD1-CD1 3.49Å; F334-F421 HydrophobicContact CD1-CD1 3.49Å; F334-F421 VanDerWaalsContact CD1-CD1 3.49Å; F334-F421 HydrophobicContact CD1-CD2 4.37Å; F334-F421 AromaticContact CD1-CE1 3.61Å; F334-F421 HydrophobicContact CD1-CE1 3.61Å; F334-F421 HydrophobicContact CD1-CE2 4.47Å; F334-F421 AromaticContact CD1-CG 3.88Å; F334-F421 HydrophobicContact CD1-CG 3.88Å; F334-F421 HydrophobicContact CD1-CZ 4.11Å; F334-F421 AromaticContact CD2-CD2 3.95Å; F334-F421 HydrophobicContact CD2-CD2 3.95Å; F334-F421 AromaticContact CD2-CE2 4Å; F334-F421 HydrophobicContact CD2-CE2 4Å; F334-F421 HydrophobicContact CD2-CG 4.2Å; F334-F421 HydrophobicContact CD2-CZ 4.29Å; F334-F421 HydrophobicContact CE1-CB 3.85Å; F334-F421 AromaticContact CE1-CD1 3.56Å; F334-F421 HydrophobicContact CE1-CD1 3.56Å; F334-F421 HydrophobicContact CE1-CD2 4.36Å; F334-F421 HydrophobicContact CE1-CE1 4.18Å; F334-F421 AromaticContact CE1-CG 3.65Å; F334-F421 HydrophobicContact CE1-CG 3.65Å; F334-F421 HydrophobicContact CE2-CB 4.25Å; F334-F421 AromaticContact CE2-CD2 3.97Å; F334-F421 HydrophobicContact CE2-CD2 3.97Å; F334-F421 HydrophobicContact CE2-CE2 4.48Å; F334-F421 HydrophobicContact CE2-CG 4.01Å; F334-F421 AromaticContact CG-CD1 3.98Å; F334-F421 HydrophobicContact CG-CD1 3.98Å; F334-F421 HydrophobicContact CG-CD2 4.15Å; F334-F421 AromaticContact CG-CE1 3.81Å; F334-F421 HydrophobicContact CG-CE1 3.81Å; F334-F421 AromaticContact CG-CE2 3.99Å; F334-F421 HydrophobicContact CG-CE2 3.99Å; F334-F421 HydrophobicContact CG-CG 4.14Å; F334-F421 AromaticContact CG-CZ 3.81Å; F334-F421 HydrophobicContact CG-CZ 3.81Å; F334-F421 HydrophobicContact CZ-CB 3.67Å; F334-F421 HydrophobicContact CZ-CD1 4.14Å; F334-F421 HydrophobicContact CZ-CD2 4.16Å; F334-F421 AromaticContact CZ-CG 3.72Å; F334-F421 HydrophobicContact CZ-CG 3.72Å; Y372-F421 HydrophobicContact CD1-CE1 4.16Å; F388-F421 AromaticContact CE1-CD1 3.85Å; F388-F421 HydrophobicContact CE1-CD1 3.85Å; F388-F421 AromaticContact CZ-CD1 3.96Å; F388-F421 HydrophobicContact CZ-CD1 3.96Å; L417-F421 WeakPolarHBondContact O-CB 3.42Å; L417-F421 PolarHBondContact O-N 3.21Å; L418-F421 PolarHBondContact O-N 3.47Å; I419-F421 VanDerWaalsContact C-N 3.3Å; I419-F421 PolarHBondContact O-N 3.5Å; F421-Y423 VanDerWaalsContact C-N 3.28Å; F421-Y423 PolarHBondContact O-N 3.1Å; F421-E424 PolarHBondContact O-N 3.47Å; F421-L425 HydrophobicContact CD1-CD1 4.15Å; F421-L425 HydrophobicContact CD1-CG 4.26Å; F421-L425 HydrophobicContact CE1-CD1 3.95Å; F421-L425 HydrophobicContact CE1-CD2 4.08Å; F421-L425 HydrophobicContact CE1-CG 4.04Å; F421-L425 HydrophobicContact CZ-CD2 4.33Å; F421-L425 WeakPolarHBondContact O-CG 3.43Å; F421-L425 PolarHBondContact O-N 3.43Å; F421-L425 VanDerWaalsContact O-N 3.07Å; F421-I528 HydrophobicContact CB-CD1 4.06Å; F421-I528 HydrophobicContact CB-CG1 4.04Å; F421-I528 HydrophobicContact CD2-CD1 3.76Å; F421-I528 HydrophobicContact CD2-CG1 4.17Å; F421-I528 HydrophobicContact CD2-CG2 4.18Å; F421-I528 HydrophobicContact CG-CD1 4.39Å; F421-L533 HydrophobicContact CE2-CD1 3.78Å; F421-L533 HydrophobicContact CZ-CD1 3.68Å
422	S	98.6	Very high	97	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-35.5	177.9	72.4	0	0	0	0	112.4	V400 L418 I419 E420 S426	V400-S422 VanDerWaalsContact CG2-CB 3.45Å; V400-S422 WeakPolarHBondContact CG2-OG 3.41Å; L418-S422 PolarHBondContact O-N 2.89Å; I419-S422 PolarHBondContact O-N 3Å; I419-S422 PolarHBondContact O-OG 2.87Å; E420-S422 VanDerWaalsContact C-N 3.34Å; E420-S422 PolarHBondContact O-N 3.38Å; S422-S426 PolarHBondContact O-N 3.38Å; S422-S426 PolarHBondContact O-OG 3.37Å
423	Y	98.5	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-75.3	-34.7	174.7	-80.2	-71.6	0	0	0	113.1	N399 I419 E420 F421 L425 S426 K427 G433 Y447 Y450 W451 S482 I483	N399-Y423 WeakPolarHBondContact ND2-CE1 3.37Å; I419-Y423 HydrophobicContact CG2-CD2 4.01Å; I419-Y423 HydrophobicContact CG2-CE2 3.97Å; I419-Y423 WeakPolarHBondContact O-CD2 3.4Å; I419-Y423 PolarHBondContact O-N 3.29Å; E420-Y423 PolarHBondContact O-N 3.05Å; F421-Y423 VanDerWaalsContact C-N 3.28Å; F421-Y423 PolarHBondContact O-N 3.1Å; Y423-L425 VanDerWaalsContact C-N 3.27Å; Y423-L425 PolarHBondContact O-N 3.3Å; Y423-S426 WeakPolarHBondContact O-CB 3.46Å; Y423-S426 PolarHBondContact O-N 3.08Å; Y423-S426 VanDerWaalsContact O-N 3.11Å; Y423-K427 WeakPolarHBondContact O-CG 3.37Å; Y423-K427 PolarHBondContact O-N 3.46Å; Y423-G433 VanDerWaalsContact CE1-O 3.31Å; Y423-G433 WeakPolarHBondContact CE1-O 3.35Å; Y423-G433 PolarHBondContact OH-O 3.39Å; Y423-Y447 HydrophobicContact CE2-CD1 4.44Å; Y423-Y447 HydrophobicContact CE2-CE1 4.04Å; Y423-Y450 HydrophobicContact CD2-CD1 4.12Å; Y423-Y450 AromaticContact CD2-CE1 3.29Å; Y423-Y450 HydrophobicContact CD2-CE1 3.29Å; Y423-Y450 AromaticContact CD2-CZ 3.83Å; Y423-Y450 HydrophobicContact CE2-CD1 4.08Å; Y423-Y450 AromaticContact CE2-CE1 3.62Å; Y423-Y450 HydrophobicContact CE2-CE1 3.62Å; Y423-Y450 HydrophobicContact CG-CE1 4.07Å; Y423-W451 AromaticContact CE2-NE1 3.62Å; Y423-W451 AromaticContact CZ-NE1 3.5Å; Y423-W451 PolarHBondContact OH-NE1 3.17Å; Y423-S482 WeakPolarHBondContact CE1-O 3.38Å; Y423-I483 HydrophobicContact CD1-CG1 4.08Å; Y423-I483 HydrophobicContact CE1-CB 4.25Å; Y423-I483 HydrophobicContact CE1-CG1 3.66Å
424	E	98.1	Very high	97.2	Very high	23 Å²	23	26.9 Å²	26.9	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-38.1	172	-71.3	-58.1	132.9	0	0	111.9	E420 F421 K427 V428 I528 L533	E420-E424 WeakPolarHBondContact O-CG 3.49Å; E420-E424 PolarHBondContact O-N 3.03Å; F421-E424 PolarHBondContact O-N 3.47Å; E424-K427 PolarHBondContact O-N 2.81Å; E424-K427 IonicContact OE1-NZ 2.92Å; E424-K427 PolarHBondContact OE1-NZ 2.86Å; E424-V428 WeakPolarHBondContact O-CG2 3.48Å; E424-V428 PolarHBondContact O-N 3.34Å; E424-V428 VanDerWaalsContact O-N 3.11Å; E424-I528 HydrophobicContact CB-CG2 4.47Å; E424-I528 HydrophobicContact CG-CB 4.29Å; E424-I528 HydrophobicContact CG-CG2 3.81Å; E424-L533 HydrophobicContact CB-CD2 4.18Å
425	L	97.9	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-45.4	171.2	-63.8	176.8	0	0	0	111.8	I326 Y372 F388 F421 Y423 K427 V428 E429 L533 F535	I326-L425 HydrophobicContact CD1-CD2 4.16Å; Y372-L425 HydrophobicContact CD1-CD1 3.78Å; Y372-L425 HydrophobicContact CD2-CD1 4.27Å; Y372-L425 HydrophobicContact CE1-CD1 3.4Å; Y372-L425 VanDerWaalsContact CE1-CD1 3.4Å; Y372-L425 HydrophobicContact CE1-CD2 4.41Å; Y372-L425 HydrophobicContact CE2-CD1 3.95Å; Y372-L425 HydrophobicContact CG-CD1 4.18Å; Y372-L425 VanDerWaalsContact CZ-CD1 3.49Å; F388-L425 HydrophobicContact CE2-CD1 4.29Å; F388-L425 HydrophobicContact CZ-CD1 3.82Å; F421-L425 HydrophobicContact CD1-CD1 4.15Å; F421-L425 HydrophobicContact CD1-CG 4.26Å; F421-L425 HydrophobicContact CE1-CD1 3.95Å; F421-L425 HydrophobicContact CE1-CD2 4.08Å; F421-L425 HydrophobicContact CE1-CG 4.04Å; F421-L425 HydrophobicContact CZ-CD2 4.33Å; F421-L425 WeakPolarHBondContact O-CG 3.43Å; F421-L425 PolarHBondContact O-N 3.43Å; F421-L425 VanDerWaalsContact O-N 3.07Å; Y423-L425 VanDerWaalsContact C-N 3.27Å; Y423-L425 PolarHBondContact O-N 3.3Å; L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 2.87Å; L425-V428 PolarHBondContact O-N 2.76Å; L425-E429 VanDerWaalsContact O-CG 3.32Å; L425-E429 WeakPolarHBondContact O-CG 3.46Å; L425-E429 PolarHBondContact O-N 2.96Å; L425-L533 HydrophobicContact CD2-CD1 4.17Å; L425-L533 HydrophobicContact CD2-CD2 4.38Å; L425-F535 HydrophobicContact CD2-CB 4.39Å; L425-F535 HydrophobicContact CD2-CD1 3.75Å; L425-F535 HydrophobicContact CD2-CD2 4.14Å; L425-F535 HydrophobicContact CD2-CE1 3.98Å; L425-F535 HydrophobicContact CD2-CE2 4.35Å; L425-F535 HydrophobicContact CD2-CG 3.83Å; L425-F535 HydrophobicContact CD2-CZ 4.27Å
426	S	97.3	Very high	97	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-37.8	176.8	-65.9	0	0	0	0	112.6	N399 S422 Y423 E429 G430 K431	N399-S426 WeakPolarHBondContact CB-OG 3.29Å; N399-S426 PolarHBondContact ND2-OG 3.13Å; S422-S426 PolarHBondContact O-N 3.38Å; S422-S426 PolarHBondContact O-OG 3.37Å; Y423-S426 WeakPolarHBondContact O-CB 3.46Å; Y423-S426 PolarHBondContact O-N 3.08Å; Y423-S426 VanDerWaalsContact O-N 3.11Å; S426-E429 CarbonylContact O-C 3.39Å; S426-E429 PolarHBondContact O-N 3.43Å; S426-G430 PolarHBondContact O-N 3.22Å; S426-G430 VanDerWaalsContact O-N 3.09Å; S426-K431 CarbonylContact C-O 3.54Å; S426-K431 PolarHBondContact O-N 2.91Å; S426-K431 VanDerWaalsContact O-O 3.08Å
427	K	97.1	Very high	96.6	Very high	73 Å²	73	32.6 Å²	32.6	32%	0.317	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-46	174.8	-70.2	174.1	-171.5	173.3	0	111.6	Y423 E424 L425 E429 G430 I480 S482	Y423-K427 WeakPolarHBondContact O-CG 3.37Å; Y423-K427 PolarHBondContact O-N 3.46Å; E424-K427 PolarHBondContact O-N 2.81Å; E424-K427 IonicContact OE1-NZ 2.92Å; E424-K427 PolarHBondContact OE1-NZ 2.86Å; L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 2.87Å; K427-E429 VanDerWaalsContact C-N 3.26Å; K427-E429 PolarHBondContact O-N 3.31Å; K427-G430 PolarHBondContact O-N 3.17Å; K427-I480 WeakPolarHBondContact CE-O 3.44Å; K427-S482 VanDerWaalsContact CA-OG 3.29Å; K427-S482 WeakPolarHBondContact CA-OG 3.45Å; K427-S482 VanDerWaalsContact CG-OG 3.27Å; K427-S482 WeakPolarHBondContact CG-OG 3.18Å; K427-S482 PolarHBondContact N-OG 3.29Å
428	V	96.4	Very high	96.2	Very high	69 Å²	69	36.4 Å²	36.4	42%	0.418	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-32.8	176.8	176.8	0	0	0	0	111.6	E424 L425 G430 L533 F535 P537	E424-V428 WeakPolarHBondContact O-CG2 3.48Å; E424-V428 PolarHBondContact O-N 3.34Å; E424-V428 VanDerWaalsContact O-N 3.11Å; L425-V428 PolarHBondContact O-N 2.76Å; V428-G430 VanDerWaalsContact C-N 3.25Å; V428-G430 PolarHBondContact O-N 3.39Å; V428-L533 HydrophobicContact CG2-CD2 3.88Å; V428-F535 HydrophobicContact CB-CD1 4.3Å; V428-F535 HydrophobicContact CG1-CD1 3.9Å; V428-P537 HydrophobicContact CG1-CG 4.02Å
429	E	94.6	Very high	95.5	Very high	55 Å²	55	38.6 Å²	38.6	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-74.7	-12	174.4	-70.7	172.3	175.6	0	0	113.7	K390 L425 S426 K427 K431 F535 P537	K390-E429 IonicContact NZ-OE1 3.91Å; K390-E429 PolarHBondContact NZ-OE1 3.49Å; K390-E429 IonicContact NZ-OE2 2.81Å; K390-E429 PolarHBondContact NZ-OE2 2.85Å; L425-E429 VanDerWaalsContact O-CG 3.32Å; L425-E429 WeakPolarHBondContact O-CG 3.46Å; L425-E429 PolarHBondContact O-N 2.96Å; S426-E429 CarbonylContact O-C 3.39Å; S426-E429 PolarHBondContact O-N 3.43Å; K427-E429 VanDerWaalsContact C-N 3.26Å; K427-E429 PolarHBondContact O-N 3.31Å; E429-K431 VanDerWaalsContact C-N 3.28Å; E429-K431 HydrophobicContact CB-CG 4.46Å; E429-K431 PolarHBondContact O-N 3.45Å; E429-F535 HydrophobicContact CG-CE1 4.3Å; E429-P537 HydrophobicContact CG-CB 4.04Å; E429-P537 HydrophobicContact CG-CG 3.92Å
430	G	94.6	Very high	95	Very high	72 Å²	72	41.8 Å²	41.8	74%	0.742	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	30.4	-175	0	0	0	0	0	113	S426 K427 V428	S426-G430 PolarHBondContact O-N 3.22Å; S426-G430 VanDerWaalsContact O-N 3.09Å; K427-G430 PolarHBondContact O-N 3.17Å; V428-G430 VanDerWaalsContact C-N 3.25Å; V428-G430 PolarHBondContact O-N 3.39Å
431	K	94.7	Very high	94.4	Very high	122 Å²	122	46.1 Å²	46.1	53%	0.53	26%	0.258	S	S	.	.			trans	-125.5	157.9	-177.9	-65.3	-175.8	-179.8	-171.9	0	111.2	S426 E429 S482	S426-K431 CarbonylContact C-O 3.54Å; S426-K431 PolarHBondContact O-N 2.91Å; S426-K431 VanDerWaalsContact O-O 3.08Å; E429-K431 VanDerWaalsContact C-N 3.28Å; E429-K431 HydrophobicContact CB-CG 4.46Å; E429-K431 PolarHBondContact O-N 3.45Å; K431-S482 VanDerWaalsContact O-CB 3.24Å; K431-S482 WeakPolarHBondContact O-CB 3.43Å; K431-S482 PolarHBondContact O-OG 3.49Å
432	T	96.9	Very high	93.9	Very high	50 Å²	50	50.8 Å²	50.8	31%	0.307	28%	0.283	S	S	.	.			trans	-92.7	158.7	166.6	60.9	0	0	0	0	109.9	S478 S482	T432-S478 WeakPolarHBondContact CG2-OG 3.47Å; T432-S482 CarbonylContact C-O 3.51Å; T432-S482 VanDerWaalsContact CA-O 3.25Å; T432-S482 WeakPolarHBondContact CA-O 3.44Å
433	G	96.3	Very high	93.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-155.9	159.7	-178.7	0	0	0	0	0	113.6	D397 Y423 S482 K484	D397-G433 WeakPolarHBondContact O-CA 3.47Å; Y423-G433 VanDerWaalsContact CE1-O 3.31Å; Y423-G433 WeakPolarHBondContact CE1-O 3.35Å; Y423-G433 PolarHBondContact OH-O 3.39Å; G433-S482 PolarHBondContact N-O 3.21Å; G433-K484 PolarHBondContact O-N 3.33Å
434	T	97.3	Very high	93.3	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.3	176	-168.5	0	0	0	0	108.5	Y398 N399 K484 D487	Y398-T434 WeakPolarHBondContact CA-O 3.46Å; Y398-T434 HydrophobicContact CD1-CG2 3.62Å; Y398-T434 HydrophobicContact CE1-CG2 3.78Å; N399-T434 PolarHBondContact N-O 2.92Å; N399-T434 VanDerWaalsContact OD1-C 3.26Å; N399-T434 PolarHBondContact OD1-O 3.39Å; T434-K484 HydrophobicContact CG2-CD 3.73Å; T434-K484 HydrophobicContact CG2-CG 4.45Å; T434-D487 WeakPolarHBondContact CB-OD2 3.48Å; T434-D487 PolarHBondContact OG1-OD2 2.82Å
435	P	97.1	Very high	93	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	153	171.2	30.1	-37.1	0	0	0	112.2	V400 L439 Y447 W451	V400-P435 HydrophobicContact CB-CB 4.31Å; V400-P435 WeakPolarHBondContact O-CA 3.16Å; P435-L439 HydrophobicContact CB-CD2 3.84Å; P435-L439 HydrophobicContact CG-CD1 3.98Å; P435-L439 HydrophobicContact CG-CD2 3.92Å; P435-L439 HydrophobicContact CG-CG 4.32Å; P435-Y447 HydrophobicContact CB-CE1 4.02Å; P435-Y447 HydrophobicContact CB-CE2 3.97Å; P435-Y447 HydrophobicContact CG-CD1 3.89Å; P435-Y447 HydrophobicContact CG-CD2 4.19Å; P435-Y447 HydrophobicContact CG-CE1 3.63Å; P435-Y447 HydrophobicContact CG-CE2 3.97Å; P435-Y447 HydrophobicContact CG-CG 4.17Å; P435-W451 HydrophobicContact CG-CZ2 4.46Å
436	E	92.6	Very high	92.9	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	33%	0.334	S	S	.	.			trans	-56.6	143.1	169.2	-171.8	-175.2	160.6	0	0	110.9	Y398 V400 A401	Y398-E436 HydrophobicContact CD2-CB 3.9Å; Y398-E436 HydrophobicContact CD2-CG 3.97Å; Y398-E436 HydrophobicContact CE2-CB 4.18Å; Y398-E436 HydrophobicContact CE2-CG 3.9Å; Y398-E436 HydrophobicContact CG-CB 4.17Å; V400-E436 PolarHBondContact O-N 3.28Å; A401-E436 VanDerWaalsContact CA-OE2 3.22Å; A401-E436 WeakPolarHBondContact CA-OE2 3.47Å; A401-E436 WeakPolarHBondContact CB-OE2 3.25Å
437	K	89.3	Confident	92.9	Very high	121 Å²	121	59.5 Å²	59.5	53%	0.526	33%	0.334	S	S	.	.	S	Bend	trans	-114.3	147.4	-177.6	-64.8	174.6	-176.1	173.5	0	109.7
438	P	87.9	Confident	92.8	Very high	85 Å²	85	60.4 Å²	60.4	55%	0.552	34%	0.335	S	S	*	.	S	Bend	cis	-79.9	142	3.2	32	-34.9	0	0	0	113.5	L249	L249-P438 HydrophobicContact CD1-CB 4.06Å; L249-P438 HydrophobicContact CD1-CG 3.75Å
439	L	85.7	Confident	92.8	Very high	46 Å²	46	59.5 Å²	59.5	24%	0.241	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-75.6	146.8	171.2	-71.7	173.9	0	0	0	110.8	P435 L444 Y447	P435-L439 HydrophobicContact CB-CD2 3.84Å; P435-L439 HydrophobicContact CG-CD1 3.98Å; P435-L439 HydrophobicContact CG-CD2 3.92Å; P435-L439 HydrophobicContact CG-CG 4.32Å; L439-L444 HydrophobicContact CB-CB 4.21Å; L439-L444 HydrophobicContact CD1-CB 4.4Å; L439-L444 HydrophobicContact CD1-CD1 4.16Å; L439-Y447 HydrophobicContact CD1-CD2 4.14Å; L439-Y447 HydrophobicContact CD1-CG 4.43Å; L439-Y447 HydrophobicContact CD2-CD2 4.24Å; L439-Y447 HydrophobicContact CD2-CE2 4.24Å
440	S	88	Confident	92.9	Very high	71 Å²	71	57 Å²	57	50%	0.497	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-64.3	154.4	163.1	66.2	0	0	0	0	111	L442 G443 L444	S440-L442 VanDerWaalsContact C-N 3.25Å; S440-L442 PolarHBondContact O-N 2.83Å; S440-G443 CarbonylContact O-C 3.59Å; S440-G443 WeakPolarHBondContact O-CA 3.47Å; S440-G443 PolarHBondContact O-N 3.21Å; S440-G443 PolarHBondContact OG-N 2.89Å; S440-G443 VanDerWaalsContact OG-N 3.15Å; S440-L444 PolarHBondContact O-N 2.87Å
441	D	85.5	Confident	93	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-53	-43.8	178.9	-61.6	-26.2	0	0	0	112.6	G443 L444 L445	D441-G443 VanDerWaalsContact C-N 3.34Å; D441-G443 PolarHBondContact O-N 3.22Å; D441-L444 PolarHBondContact O-N 3.31Å; D441-L445 WeakPolarHBondContact O-CG 3.41Å; D441-L445 PolarHBondContact O-N 3.29Å
442	L	88.3	Confident	93.1	Very high	99 Å²	99	49 Å²	49	52%	0.518	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-38.1	176.9	-176.8	62.4	0	0	0	111.8	S440 S446	S440-L442 VanDerWaalsContact C-N 3.25Å; S440-L442 PolarHBondContact O-N 2.83Å; L442-S446 WeakPolarHBondContact O-CB 3.47Å; L442-S446 PolarHBondContact O-N 3.21Å; L442-S446 VanDerWaalsContact O-N 3.09Å; L442-S446 PolarHBondContact O-OG 2.96Å
443	G	92	Very high	93.1	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-51.6	173.1	0	0	0	0	0	111.4	S440 D441 L445 S446 Y447	S440-G443 CarbonylContact O-C 3.59Å; S440-G443 WeakPolarHBondContact O-CA 3.47Å; S440-G443 PolarHBondContact O-N 3.21Å; S440-G443 PolarHBondContact OG-N 2.89Å; S440-G443 VanDerWaalsContact OG-N 3.15Å; D441-G443 VanDerWaalsContact C-N 3.34Å; D441-G443 PolarHBondContact O-N 3.22Å; G443-L445 PolarHBondContact O-N 2.65Å; G443-S446 WeakPolarHBondContact O-CB 3.38Å; G443-S446 PolarHBondContact O-N 3.4Å; G443-Y447 WeakPolarHBondContact O-CD2 3.31Å; G443-Y447 PolarHBondContact O-N 2.9Å
444	L	91.8	Very high	93.1	Very high	50 Å²	50	48 Å²	48	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-46.1	180	-179.7	62.3	0	0	0	112	L439 S440 D441 S446 Y447 R448	L439-L444 HydrophobicContact CB-CB 4.21Å; L439-L444 HydrophobicContact CD1-CB 4.4Å; L439-L444 HydrophobicContact CD1-CD1 4.16Å; S440-L444 PolarHBondContact O-N 2.87Å; D441-L444 PolarHBondContact O-N 3.31Å; L444-S446 VanDerWaalsContact C-N 3.3Å; L444-S446 PolarHBondContact O-N 2.89Å; L444-Y447 PolarHBondContact O-N 3.44Å; L444-R448 HydrophobicContact CD1-CG 4.29Å; L444-R448 WeakPolarHBondContact O-CB 3.21Å; L444-R448 WeakPolarHBondContact O-CG 3.37Å; L444-R448 PolarHBondContact O-N 2.84Å
445	L	92.2	Very high	93.1	Very high	114 Å²	114	47.8 Å²	47.8	60%	0.597	26%	0.258	S	S	*	.	H	α-helix	trans	-60.8	-40	175.5	-71.4	172.8	0	0	0	112	D441 G443 S449	D441-L445 WeakPolarHBondContact O-CG 3.41Å; D441-L445 PolarHBondContact O-N 3.29Å; G443-L445 PolarHBondContact O-N 2.65Å; L445-S449 VanDerWaalsContact O-CB 3.3Å; L445-S449 WeakPolarHBondContact O-CB 3.49Å; L445-S449 PolarHBondContact O-N 3.34Å
446	S	95.4	Very high	93	Very high	35 Å²	35	48.2 Å²	48.2	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-44.2	179.7	-58.8	0	0	0	0	112.2	L442 G443 L444 S449 Y450	L442-S446 WeakPolarHBondContact O-CB 3.47Å; L442-S446 PolarHBondContact O-N 3.21Å; L442-S446 VanDerWaalsContact O-N 3.09Å; L442-S446 PolarHBondContact O-OG 2.96Å; G443-S446 WeakPolarHBondContact O-CB 3.38Å; G443-S446 PolarHBondContact O-N 3.4Å; L444-S446 VanDerWaalsContact C-N 3.3Å; L444-S446 PolarHBondContact O-N 2.89Å; S446-S449 PolarHBondContact O-N 3Å; S446-Y450 WeakPolarHBondContact O-CB 3.26Å; S446-Y450 PolarHBondContact O-N 3.16Å
447	Y	97.3	Very high	93.1	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-46.7	176.5	-88.2	-85.6	0	0	0	111.8	V400 I403 I419 Y423 P435 L439 G443 L444 S449 Y450 W451	V400-Y447 WeakPolarHBondContact CG2-OH 3.45Å; I403-Y447 HydrophobicContact CG2-CE2 4.42Å; I419-Y447 HydrophobicContact CB-CE1 4.5Å; I419-Y447 HydrophobicContact CD1-CD1 4.38Å; I419-Y447 HydrophobicContact CD1-CD2 3.84Å; I419-Y447 HydrophobicContact CD1-CE1 4.46Å; I419-Y447 HydrophobicContact CD1-CE2 3.91Å; I419-Y447 HydrophobicContact CD1-CG 4.08Å; I419-Y447 HydrophobicContact CG1-CD2 4.33Å; I419-Y447 HydrophobicContact CG1-CE1 4.15Å; I419-Y447 HydrophobicContact CG1-CE2 3.91Å; I419-Y447 HydrophobicContact CG2-CD1 3.91Å; I419-Y447 HydrophobicContact CG2-CE1 3.64Å; Y423-Y447 HydrophobicContact CE2-CD1 4.44Å; Y423-Y447 HydrophobicContact CE2-CE1 4.04Å; P435-Y447 HydrophobicContact CB-CE1 4.02Å; P435-Y447 HydrophobicContact CB-CE2 3.97Å; P435-Y447 HydrophobicContact CG-CD1 3.89Å; P435-Y447 HydrophobicContact CG-CD2 4.19Å; P435-Y447 HydrophobicContact CG-CE1 3.63Å; P435-Y447 HydrophobicContact CG-CE2 3.97Å; P435-Y447 HydrophobicContact CG-CG 4.17Å; L439-Y447 HydrophobicContact CD1-CD2 4.14Å; L439-Y447 HydrophobicContact CD1-CG 4.43Å; L439-Y447 HydrophobicContact CD2-CD2 4.24Å; L439-Y447 HydrophobicContact CD2-CE2 4.24Å; G443-Y447 WeakPolarHBondContact O-CD2 3.31Å; G443-Y447 PolarHBondContact O-N 2.9Å; L444-Y447 PolarHBondContact O-N 3.44Å; Y447-S449 VanDerWaalsContact C-N 3.31Å; Y447-S449 PolarHBondContact O-N 2.81Å; Y447-Y450 PolarHBondContact O-N 3.29Å; Y447-Y450 VanDerWaalsContact O-N 3.09Å; Y447-W451 AromaticContact CD1-CE2 3.81Å; Y447-W451 AromaticContact CD1-CZ2 3.72Å; Y447-W451 HydrophobicContact CD1-CZ2 3.72Å; Y447-W451 AromaticContact CD1-NE1 3.91Å; Y447-W451 HydrophobicContact CG-CZ2 4.36Å; Y447-W451 PolarHBondContact O-N 3.42Å
448	R	95.5	Very high	93.3	Very high	91 Å²	91	44 Å²	44	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-55.1	-48.1	173.9	-77.4	-178.4	171.8	171.5	-1.9	111.4	L444 Y450 W451 S452	L444-R448 HydrophobicContact CD1-CG 4.29Å; L444-R448 WeakPolarHBondContact O-CB 3.21Å; L444-R448 WeakPolarHBondContact O-CG 3.37Å; L444-R448 PolarHBondContact O-N 2.84Å; R448-Y450 VanDerWaalsContact C-N 3.31Å; R448-Y450 PolarHBondContact O-N 2.92Å; R448-W451 PolarHBondContact O-N 3.29Å; R448-S452 WeakPolarHBondContact O-CB 3.45Å; R448-S452 PolarHBondContact O-N 2.87Å; R448-S452 PolarHBondContact O-OG 2.68Å
449	S	95.2	Very high	93.6	Very high	50 Å²	50	40.2 Å²	40.2	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-37.4	177.6	-174.2	0	0	0	0	113	K416 L445 S446 Y447 Q453	K416-S449 PolarHBondContact NZ-OG 3.12Å; L445-S449 VanDerWaalsContact O-CB 3.3Å; L445-S449 WeakPolarHBondContact O-CB 3.49Å; L445-S449 PolarHBondContact O-N 3.34Å; S446-S449 PolarHBondContact O-N 3Å; Y447-S449 VanDerWaalsContact C-N 3.31Å; Y447-S449 PolarHBondContact O-N 2.81Å; S449-Q453 VanDerWaalsContact O-CG 3.29Å; S449-Q453 WeakPolarHBondContact O-CG 3.22Å; S449-Q453 PolarHBondContact O-N 3.45Å
450	Y	97.3	Very high	93.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-49.1	176.7	171.4	-96.8	0	0	0	112.1	K416 I419 E420 Y423 S446 Y447 R448 Q453 T454	K416-Y450 HydrophobicContact CG-CD2 4.05Å; I419-Y450 HydrophobicContact CB-CG 4.44Å; I419-Y450 HydrophobicContact CG2-CD1 3.45Å; I419-Y450 VanDerWaalsContact CG2-CD1 3.45Å; I419-Y450 HydrophobicContact CG2-CD2 4.11Å; I419-Y450 HydrophobicContact CG2-CE1 3.91Å; I419-Y450 HydrophobicContact CG2-CE2 4.5Å; I419-Y450 HydrophobicContact CG2-CG 3.57Å; E420-Y450 HydrophobicContact CB-CD2 4.36Å; E420-Y450 HydrophobicContact CB-CE2 3.63Å; E420-Y450 HydrophobicContact CG-CE2 3.95Å; Y423-Y450 HydrophobicContact CD2-CD1 4.12Å; Y423-Y450 AromaticContact CD2-CE1 3.29Å; Y423-Y450 HydrophobicContact CD2-CE1 3.29Å; Y423-Y450 AromaticContact CD2-CZ 3.83Å; Y423-Y450 HydrophobicContact CE2-CD1 4.08Å; Y423-Y450 AromaticContact CE2-CE1 3.62Å; Y423-Y450 HydrophobicContact CE2-CE1 3.62Å; Y423-Y450 HydrophobicContact CG-CE1 4.07Å; S446-Y450 WeakPolarHBondContact O-CB 3.26Å; S446-Y450 PolarHBondContact O-N 3.16Å; Y447-Y450 PolarHBondContact O-N 3.29Å; Y447-Y450 VanDerWaalsContact O-N 3.09Å; R448-Y450 VanDerWaalsContact C-N 3.31Å; R448-Y450 PolarHBondContact O-N 2.92Å; Y450-Q453 PolarHBondContact O-N 2.8Å; Y450-T454 WeakPolarHBondContact O-CB 3.48Å; Y450-T454 PolarHBondContact O-N 3.04Å; Y450-T454 PolarHBondContact O-OG1 3.3Å
451	W	98.1	Very high	93.8	Very high	13 Å²	13	40.4 Å²	40.4	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-46.3	179.9	-65.3	-27.5	0	0	0	111.7	Y423 P435 Y447 R448 Q453 T454 I455 I483 D487 T491	Y423-W451 AromaticContact CE2-NE1 3.62Å; Y423-W451 AromaticContact CZ-NE1 3.5Å; Y423-W451 PolarHBondContact OH-NE1 3.17Å; P435-W451 HydrophobicContact CG-CZ2 4.46Å; Y447-W451 AromaticContact CD1-CE2 3.81Å; Y447-W451 AromaticContact CD1-CZ2 3.72Å; Y447-W451 HydrophobicContact CD1-CZ2 3.72Å; Y447-W451 AromaticContact CD1-NE1 3.91Å; Y447-W451 HydrophobicContact CG-CZ2 4.36Å; Y447-W451 PolarHBondContact O-N 3.42Å; R448-W451 PolarHBondContact O-N 3.29Å; W451-Q453 VanDerWaalsContact C-N 3.31Å; W451-Q453 PolarHBondContact O-N 3.31Å; W451-T454 PolarHBondContact O-N 2.83Å; W451-I455 WeakPolarHBondContact O-CB 3.2Å; W451-I455 WeakPolarHBondContact O-CG1 3.39Å; W451-I455 PolarHBondContact O-N 3.32Å; W451-I483 HydrophobicContact CB-CD1 4.49Å; W451-I483 VanDerWaalsContact CD1-CD1 3.45Å; W451-I483 HydrophobicContact CG-CD1 4.2Å; W451-D487 HydrophobicContact CD2-CB 4.38Å; W451-D487 HydrophobicContact CE3-CB 4.25Å; W451-D487 HydrophobicContact CH2-CB 3.81Å; W451-D487 WeakPolarHBondContact CH2-OD1 3.04Å; W451-D487 HydrophobicContact CZ2-CB 3.93Å; W451-D487 HydrophobicContact CZ3-CB 3.97Å; W451-T491 HydrophobicContact CB-CG2 4.07Å
452	S	96.8	Very high	94	Very high	14 Å²	14	38.3 Å²	38.3	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-45.7	176.8	-62.6	0	0	0	0	111.7	R448 L456	R448-S452 WeakPolarHBondContact O-CB 3.45Å; R448-S452 PolarHBondContact O-N 2.87Å; R448-S452 PolarHBondContact O-OG 2.68Å; S452-L456 VanDerWaalsContact O-CB 3.26Å; S452-L456 WeakPolarHBondContact O-CB 3.45Å; S452-L456 WeakPolarHBondContact O-CD1 3.33Å; S452-L456 WeakPolarHBondContact O-CG 3.49Å; S452-L456 PolarHBondContact O-N 3Å
453	Q	95.9	Very high	93.5	Very high	19 Å²	19	42.2 Å²	42.2	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-45.1	178.2	-74.7	-179.9	-8.8	0	0	112.3	K416 S449 Y450 W451 I455 L456 E457 H517 M521 R524	K416-Q453 VanDerWaalsContact NZ-NE2 3.19Å; S449-Q453 VanDerWaalsContact O-CG 3.29Å; S449-Q453 WeakPolarHBondContact O-CG 3.22Å; S449-Q453 PolarHBondContact O-N 3.45Å; Y450-Q453 PolarHBondContact O-N 2.8Å; W451-Q453 VanDerWaalsContact C-N 3.31Å; W451-Q453 PolarHBondContact O-N 3.31Å; Q453-I455 PolarHBondContact O-N 2.81Å; Q453-L456 PolarHBondContact O-N 3.45Å; Q453-E457 VanDerWaalsContact O-CB 3.27Å; Q453-E457 WeakPolarHBondContact O-CB 3.47Å; Q453-E457 PolarHBondContact O-N 2.87Å; Q453-H517 PolarHBondContact O-CE1 3.2Å; Q453-H517 VanDerWaalsContact O-CE1 3.23Å; Q453-M521 HydrophobicContact CB-SD 4.23Å; Q453-M521 HydrophobicContact CG-SD 4.15Å; Q453-R524 VanDerWaalsContact OE1-NH1 3.13Å
454	T	96.8	Very high	92.7	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-42.5	-177	-53.2	0	0	0	0	111.4	Y450 W451 I458 T481 I483	Y450-T454 WeakPolarHBondContact O-CB 3.48Å; Y450-T454 PolarHBondContact O-N 3.04Å; Y450-T454 PolarHBondContact O-OG1 3.3Å; W451-T454 PolarHBondContact O-N 2.83Å; T454-I458 PolarHBondContact O-N 3.47Å; T454-T481 HydrophobicContact CG2-CG2 3.68Å; T454-I483 HydrophobicContact CG2-CD1 4.39Å
455	I	96.8	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.6	-44.5	179	-67	169.9	0	0	0	110.5	W451 Q453 E457 I458 L459 I477 V488 T491 L492	W451-I455 WeakPolarHBondContact O-CB 3.2Å; W451-I455 WeakPolarHBondContact O-CG1 3.39Å; W451-I455 PolarHBondContact O-N 3.32Å; Q453-I455 PolarHBondContact O-N 2.81Å; I455-E457 VanDerWaalsContact C-N 3.35Å; I455-E457 PolarHBondContact O-N 2.9Å; I455-I458 PolarHBondContact O-N 2.74Å; I455-L459 HydrophobicContact CG2-CD1 3.96Å; I455-L459 HydrophobicContact CG2-CG 4.26Å; I455-L459 WeakPolarHBondContact O-CG 3.41Å; I455-L459 PolarHBondContact O-N 2.72Å; I455-I477 HydrophobicContact CG1-CG2 4.04Å; I455-I477 HydrophobicContact CG2-CG2 4.5Å; I455-V488 HydrophobicContact CD1-CB 4.38Å; I455-V488 HydrophobicContact CD1-CG1 4.22Å; I455-V488 HydrophobicContact CD1-CG2 4.32Å; I455-T491 HydrophobicContact CD1-CG2 3.8Å; I455-L492 HydrophobicContact CG2-CD2 3.71Å; I455-L492 HydrophobicContact CG2-CG 4.42Å
456	L	95.6	Very high	90	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-40.1	177.3	-72.9	170.3	0	0	0	112.3	S452 Q453 I458 L459 M460 L495 L497 L509 I513 H517	S452-L456 VanDerWaalsContact O-CB 3.26Å; S452-L456 WeakPolarHBondContact O-CB 3.45Å; S452-L456 WeakPolarHBondContact O-CD1 3.33Å; S452-L456 WeakPolarHBondContact O-CG 3.49Å; S452-L456 PolarHBondContact O-N 3Å; Q453-L456 PolarHBondContact O-N 3.45Å; L456-I458 VanDerWaalsContact C-N 3.26Å; L456-I458 PolarHBondContact O-N 2.79Å; L456-L459 PolarHBondContact O-N 3.11Å; L456-M460 WeakPolarHBondContact O-CB 3.39Å; L456-M460 VanDerWaalsContact O-CG 3.27Å; L456-M460 WeakPolarHBondContact O-CG 3.14Å; L456-M460 PolarHBondContact O-N 3.06Å; L456-L495 HydrophobicContact CD1-CD1 4.24Å; L456-L495 HydrophobicContact CD2-CD1 4.46Å; L456-L495 HydrophobicContact CG-CD1 4.19Å; L456-L497 HydrophobicContact CD2-CD1 3.93Å; L456-L509 HydrophobicContact CD2-CD2 3.68Å; L456-I513 HydrophobicContact CD1-CG2 4.16Å; L456-I513 HydrophobicContact CD2-CG2 3.73Å; L456-H517 HydrophobicContact CD1-CB 4.16Å
457	E	94.1	Very high	88.7	Confident	78 Å²	78	52.8 Å²	52.8	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-38.1	176.6	-170.3	168.1	-131.3	0	0	111.1	Q453 I455 G461 M521 R527	Q453-E457 VanDerWaalsContact O-CB 3.27Å; Q453-E457 WeakPolarHBondContact O-CB 3.47Å; Q453-E457 PolarHBondContact O-N 2.87Å; I455-E457 VanDerWaalsContact C-N 3.35Å; I455-E457 PolarHBondContact O-N 2.9Å; E457-G461 PolarHBondContact O-N 2.92Å; E457-M521 WeakPolarHBondContact OE1-CE 3.42Å; E457-R527 IonicContact OE1-CZ 2.64Å; E457-R527 IonicContact OE1-NH1 3.34Å; E457-R527 PolarHBondContact OE1-NH1 2.77Å; E457-R527 IonicContact OE1-NH2 3.78Å; E457-R527 IonicContact OE2-CZ 2.99Å; E457-R527 IonicContact OE2-NH1 2.83Å; E457-R527 PolarHBondContact OE2-NH1 2.83Å; E457-R527 IonicContact OE2-NH2 3.3Å; E457-R527 PolarHBondContact OE2-NH2 3.3Å
458	I	94	Very high	87.6	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-52.4	173.2	-69.2	171.4	0	0	0	111.2	T454 I455 L456 M460 G461 L462 I472 I480 T481	T454-I458 PolarHBondContact O-N 3.47Å; I455-I458 PolarHBondContact O-N 2.74Å; L456-I458 VanDerWaalsContact C-N 3.26Å; L456-I458 PolarHBondContact O-N 2.79Å; I458-M460 VanDerWaalsContact C-N 3.26Å; I458-M460 PolarHBondContact O-N 3.26Å; I458-G461 WeakPolarHBondContact O-CA 3.29Å; I458-G461 PolarHBondContact O-N 2.91Å; I458-L462 PolarHBondContact O-N 3.26Å; I458-I472 HydrophobicContact CG2-CD1 3.73Å; I458-I480 HydrophobicContact CD1-CB 4.11Å; I458-I480 HydrophobicContact CD1-CG2 3.59Å; I458-I480 HydrophobicContact CG1-CG2 4.25Å; I458-T481 HydrophobicContact CD1-CG2 3.15Å
459	L	92.8	Very high	86.6	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-37.4	-175	-64.7	177.6	0	0	0	111.9	I145 I455 L456 G461 L462 I472 I477 L492 L497 L507 L509	I145-L459 HydrophobicContact CD1-CB 3.88Å; I145-L459 HydrophobicContact CD1-CD2 4.12Å; I145-L459 HydrophobicContact CD1-CG 4.49Å; I455-L459 HydrophobicContact CG2-CD1 3.96Å; I455-L459 HydrophobicContact CG2-CG 4.26Å; I455-L459 WeakPolarHBondContact O-CG 3.41Å; I455-L459 PolarHBondContact O-N 2.72Å; L456-L459 PolarHBondContact O-N 3.11Å; L459-G461 VanDerWaalsContact C-N 3.34Å; L459-L462 HydrophobicContact CD2-CD1 4.27Å; L459-I472 HydrophobicContact CD2-CG2 3.89Å; L459-I477 HydrophobicContact CD2-CD1 4.24Å; L459-L492 HydrophobicContact CD1-CD2 4.08Å; L459-L497 HydrophobicContact CD1-CD1 4.16Å; L459-L507 HydrophobicContact CD1-CD1 3.97Å; L459-L507 HydrophobicContact CD2-CD1 3.55Å; L459-L507 HydrophobicContact CG-CD1 4.43Å; L459-L509 HydrophobicContact CB-CD1 4.01Å; L459-L509 HydrophobicContact CD1-CD2 4.25Å
460	M	90.5	Very high	86.2	Confident	68 Å²	68	59.2 Å²	59.2	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-73.6	-25.4	175.5	-68.6	174.2	56.8	0	0	113	L456 I458 L462 L509 V514 H517 E518	L456-M460 WeakPolarHBondContact O-CB 3.39Å; L456-M460 VanDerWaalsContact O-CG 3.27Å; L456-M460 WeakPolarHBondContact O-CG 3.14Å; L456-M460 PolarHBondContact O-N 3.06Å; I458-M460 VanDerWaalsContact C-N 3.26Å; I458-M460 PolarHBondContact O-N 3.26Å; M460-L462 VanDerWaalsContact C-N 3.34Å; M460-L509 HydrophobicContact CG-CD1 4.4Å; M460-V514 HydrophobicContact CE-CG1 3.74Å; M460-V514 HydrophobicContact SD-CG1 4.43Å; M460-V514 HydrophobicContact SD-CG2 4.45Å; M460-H517 HydrophobicContact SD-CB 4.17Å; M460-H517 PolarHBondContact SD-CD2 3.39Å; M460-E518 HydrophobicContact CE-CG 4.01Å
461	G	88.7	Confident	85.7	Confident	53 Å²	53	62.1 Å²	62.1	55%	0.546	34%	0.344	S	S	.	.	H	α-helix	trans	-81	-9.3	176.7	0	0	0	0	0	114.6	E457 I458 L459 K463	E457-G461 PolarHBondContact O-N 2.92Å; I458-G461 WeakPolarHBondContact O-CA 3.29Å; I458-G461 PolarHBondContact O-N 2.91Å; L459-G461 VanDerWaalsContact C-N 3.34Å; G461-K463 PolarHBondContact O-N 3.48Å
462	L	88.1	Confident	85.4	Confident	53 Å²	53	61.7 Å²	61.7	28%	0.277	34%	0.343	S	S	.	.			trans	-68	123.6	179.8	-68.8	175.8	0	0	0	111	I145 I458 L459 M460 P470 I472	I145-L462 HydrophobicContact CD1-CD1 4.29Å; I145-L462 HydrophobicContact CG2-CD1 4Å; I458-L462 PolarHBondContact O-N 3.26Å; L459-L462 HydrophobicContact CD2-CD1 4.27Å; M460-L462 VanDerWaalsContact C-N 3.34Å; L462-P470 HydrophobicContact CB-CB 3.91Å; L462-I472 HydrophobicContact CD1-CB 3.85Å; L462-I472 HydrophobicContact CD1-CD1 4.11Å; L462-I472 HydrophobicContact CD1-CG2 3.88Å; L462-I472 HydrophobicContact CD2-CD1 4.25Å
463	K	79.5	Confident	85.2	Confident	182 Å²	182	61.3 Å²	61.3	79%	0.791	34%	0.34	S	S	*	.			trans	-91.6	144.9	174.7	-63.2	-177.5	-178.6	179	0	110	G461 E465	G461-K463 PolarHBondContact O-N 3.48Å; K463-E465 PolarHBondContact O-N 3.46Å
464	S	73.5	Confident	85.1	Confident	63 Å²	63	61.3 Å²	61.3	44%	0.441	34%	0.34	S	S	.	.			trans	-73.1	114.9	166	172.3	0	0	0	0	108.2	E468	S464-E468 WeakPolarHBondContact CB-O 3.36Å; S464-E468 PolarHBondContact OG-O 2.77Å
465	E	65.2	Low	85.1	Confident	166 Å²	166	62.5 Å²	62.5	78%	0.776	35%	0.346	S	S	*	.	S	Bend	trans	-85	128.2	166.7	-69.4	-172.7	165.8	0	0	108.3	K463 G467 E468	K463-E465 PolarHBondContact O-N 3.46Å; E465-G467 VanDerWaalsContact C-N 3.3Å; E465-G467 PolarHBondContact O-N 3.29Å; E465-E468 PolarHBondContact O-N 2.93Å
466	S	63.4	Low	85	Confident	125 Å²	125	66.4 Å²	66.4	87%	0.874	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	22.6	170.1	-46.2	0	0	0	0	116.7	E468	S466-E468 VanDerWaalsContact C-N 3.25Å; S466-E468 PolarHBondContact O-N 3.3Å
467	G	67.3	Low	85	Confident	75 Å²	75	65.9 Å²	65.9	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	2.8	178.4	0	0	0	0	0	114.5	E465	E465-G467 VanDerWaalsContact C-N 3.3Å; E465-G467 PolarHBondContact O-N 3.29Å
468	E	74.5	Confident	85.2	Confident	126 Å²	126	62.2 Å²	62.2	59%	0.589	35%	0.345	S	S	*	.	S	Bend	trans	-83.9	154.9	171.8	-66.5	-168.4	174.3	0	0	111.4	S464 E465 S466	S464-E468 WeakPolarHBondContact CB-O 3.36Å; S464-E468 PolarHBondContact OG-O 2.77Å; E465-E468 PolarHBondContact O-N 2.93Å; S466-E468 VanDerWaalsContact C-N 3.25Å; S466-E468 PolarHBondContact O-N 3.3Å
469	R	75.4	Confident	85.3	Confident	129 Å²	129	67.4 Å²	67.4	49%	0.487	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.2	137	176.2	-68	178	-178.3	-165.8	-10.4	109.8	Q144 Q471	Q144-R469 VanDerWaalsContact OE1-NH2 3.08Å; R469-Q471 WeakPolarHBondContact O-CG 3.37Å; R469-Q471 PolarHBondContact O-N 2.89Å
470	P	85.5	Confident	85.5	Confident	22 Å²	22	71.9 Å²	71.9	14%	0.143	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55	140	174.4	23.2	-33.2	0	0	0	110.1	I145 T146 L462	I145-P470 CarbonylContact C-O 3.58Å; I145-P470 WeakPolarHBondContact CA-O 3.39Å; I145-P470 HydrophobicContact CB-CG 4.46Å; I145-P470 HydrophobicContact CG1-CB 4.43Å; I145-P470 HydrophobicContact CG1-CG 3.82Å; I145-P470 WeakPolarHBondContact CG2-O 3.28Å; T146-P470 PolarHBondContact N-O 3.26Å; L462-P470 HydrophobicContact CB-CB 3.91Å
471	Q	86.6	Confident	85.8	Confident	64 Å²	64	68.7 Å²	68.7	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.8	-177	-45	-157.1	-14.7	0	0	109.5	T146 R469	T146-Q471 WeakPolarHBondContact O-CA 3.23Å; R469-Q471 WeakPolarHBondContact O-CG 3.37Å; R469-Q471 PolarHBondContact O-N 2.89Å
472	I	92.4	Very high	86.3	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.4	177.1	-165.1	169.5	0	0	0	109.8	I145 T146 L147 R148 I458 L459 L462 E476 I477 L507	I145-I472 HydrophobicContact CG2-CG2 3.84Å; T146-I472 PolarHBondContact O-N 3.26Å; T146-I472 VanDerWaalsContact O-N 3.16Å; L147-I472 WeakPolarHBondContact CA-O 3.49Å; R148-I472 PolarHBondContact N-O 2.84Å; I458-I472 HydrophobicContact CG2-CD1 3.73Å; L459-I472 HydrophobicContact CD2-CG2 3.89Å; L462-I472 HydrophobicContact CD1-CB 3.85Å; L462-I472 HydrophobicContact CD1-CD1 4.11Å; L462-I472 HydrophobicContact CD1-CG2 3.88Å; L462-I472 HydrophobicContact CD2-CD1 4.25Å; I472-E476 WeakPolarHBondContact CA-OE2 3.38Å; I472-E476 HydrophobicContact CG1-CB 3.95Å; I472-I477 HydrophobicContact CD1-CD1 4.18Å; I472-I477 HydrophobicContact CD1-CG1 3.39Å; I472-I477 HydrophobicContact CG1-CD1 4.48Å; I472-I477 HydrophobicContact CG1-CG1 3.87Å; I472-I477 HydrophobicContact CG2-CD1 4.32Å; I472-L507 HydrophobicContact CG2-CD1 4.28Å
473	T	93.1	Very high	86.8	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	158.1	174.6	67.3	0	0	0	0	110.6	R148 N475 E476 I477	R148-T473 HydrophobicContact CB-CG2 3.65Å; R148-T473 WeakPolarHBondContact O-CG2 3.4Å; T473-N475 PolarHBondContact O-N 2.82Å; T473-E476 PolarHBondContact N-OE2 3.14Å; T473-E476 PolarHBondContact O-N 2.89Å; T473-E476 WeakPolarHBondContact OG1-CB 3.43Å; T473-E476 WeakPolarHBondContact OG1-CG 3.39Å; T473-E476 PolarHBondContact OG1-N 3.44Å; T473-E476 PolarHBondContact OG1-OE2 3.45Å; T473-E476 VanDerWaalsContact OG1-OE2 3.09Å; T473-I477 PolarHBondContact O-N 3.03Å; T473-I477 VanDerWaalsContact O-N 3.17Å
474	I	94.3	Very high	87.6	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-34.9	170.5	-61.9	-64.4	0	0	0	111.3	L147 I477 S478 K485 V488 I489 L492	L147-I474 HydrophobicContact CD1-CD1 3.83Å; L147-I474 HydrophobicContact CD1-CG1 4.31Å; L147-I474 HydrophobicContact CD2-CG1 4.21Å; I474-I477 PolarHBondContact O-N 3.27Å; I474-S478 WeakPolarHBondContact O-CB 3.45Å; I474-S478 PolarHBondContact O-N 3.38Å; I474-K485 HydrophobicContact CG2-CB 4.05Å; I474-K485 HydrophobicContact CG2-CG 4.36Å; I474-V488 HydrophobicContact CD1-CG1 4.06Å; I474-V488 HydrophobicContact CG2-CB 4.42Å; I474-V488 HydrophobicContact CG2-CG1 4.21Å; I474-I489 HydrophobicContact CD1-CG1 4.15Å; I474-I489 HydrophobicContact CG1-CG1 4.32Å; I474-I489 HydrophobicContact CG2-CD1 4.24Å; I474-I489 HydrophobicContact CG2-CG1 3.94Å; I474-L492 HydrophobicContact CD1-CD1 3.43Å; I474-L492 VanDerWaalsContact CD1-CD1 3.43Å
475	N	95.1	Very high	88.7	Confident	35 Å²	35	58.1 Å²	58.1	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-45.8	178.3	-65.3	-27.9	0	0	0	111.2	N150 T473 I477 S478 E479 K485	N150-N475 PolarHBondContact ND2-ND2 3.18Å; N150-N475 VanDerWaalsContact ND2-ND2 3.2Å; T473-N475 PolarHBondContact O-N 2.82Å; N475-I477 PolarHBondContact O-N 3.24Å; N475-S478 WeakPolarHBondContact O-CB 3.5Å; N475-S478 PolarHBondContact O-N 3.47Å; N475-S478 VanDerWaalsContact O-N 3.14Å; N475-E479 WeakPolarHBondContact O-CB 3.5Å; N475-E479 WeakPolarHBondContact O-CG 3.44Å; N475-E479 PolarHBondContact O-N 3.32Å; N475-K485 VanDerWaalsContact OD1-CD 3.29Å; N475-K485 WeakPolarHBondContact OD1-CD 3.44Å; N475-K485 WeakPolarHBondContact OD1-CE 3.37Å; N475-K485 PolarHBondContact OD1-NZ 2.91Å
476	E	95.4	Very high	90.2	Very high	82 Å²	82	55.8 Å²	55.8	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.6	-74.4	160.5	162.2	0	0	111.4	I472 T473 S478 E479 I480	I472-E476 WeakPolarHBondContact CA-OE2 3.38Å; I472-E476 HydrophobicContact CG1-CB 3.95Å; T473-E476 PolarHBondContact N-OE2 3.14Å; T473-E476 PolarHBondContact O-N 2.89Å; T473-E476 WeakPolarHBondContact OG1-CB 3.43Å; T473-E476 WeakPolarHBondContact OG1-CG 3.39Å; T473-E476 PolarHBondContact OG1-N 3.44Å; T473-E476 PolarHBondContact OG1-OE2 3.45Å; T473-E476 VanDerWaalsContact OG1-OE2 3.09Å; E476-S478 VanDerWaalsContact C-N 3.3Å; E476-S478 PolarHBondContact O-N 3.42Å; E476-E479 PolarHBondContact O-N 2.8Å; E476-I480 WeakPolarHBondContact O-CB 3.42Å; E476-I480 WeakPolarHBondContact O-CD1 3.37Å; E476-I480 WeakPolarHBondContact O-CG1 3.34Å; E476-I480 PolarHBondContact O-N 3.03Å
477	I	96.3	Very high	91.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-45	174.3	-61.2	170.3	0	0	0	110.1	I455 L459 I472 T473 I474 N475 T481 V488 L492	I455-I477 HydrophobicContact CG1-CG2 4.04Å; I455-I477 HydrophobicContact CG2-CG2 4.5Å; L459-I477 HydrophobicContact CD2-CD1 4.24Å; I472-I477 HydrophobicContact CD1-CD1 4.18Å; I472-I477 HydrophobicContact CD1-CG1 3.39Å; I472-I477 HydrophobicContact CG1-CD1 4.48Å; I472-I477 HydrophobicContact CG1-CG1 3.87Å; I472-I477 HydrophobicContact CG2-CD1 4.32Å; T473-I477 PolarHBondContact O-N 3.03Å; T473-I477 VanDerWaalsContact O-N 3.17Å; I474-I477 PolarHBondContact O-N 3.27Å; N475-I477 PolarHBondContact O-N 3.24Å; I477-T481 HydrophobicContact CG2-CG2 4.31Å; I477-T481 WeakPolarHBondContact O-CB 3.41Å; I477-T481 VanDerWaalsContact O-CG2 3.28Å; I477-T481 WeakPolarHBondContact O-CG2 3.33Å; I477-T481 PolarHBondContact O-N 3.4Å; I477-T481 PolarHBondContact O-OG1 3.14Å; I477-V488 HydrophobicContact CB-CG1 4.03Å; I477-V488 HydrophobicContact CD1-CG1 4.18Å; I477-V488 HydrophobicContact CG2-CB 4.49Å; I477-V488 HydrophobicContact CG2-CG1 3.68Å; I477-V488 HydrophobicContact CG2-CG2 3.9Å; I477-L492 HydrophobicContact CD1-CD1 4.39Å
478	S	97.8	Very high	93.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-43.5	179.5	-174.2	0	0	0	0	112.2	T432 I474 N475 E476 S482 I483	T432-S478 WeakPolarHBondContact CG2-OG 3.47Å; I474-S478 WeakPolarHBondContact O-CB 3.45Å; I474-S478 PolarHBondContact O-N 3.38Å; N475-S478 WeakPolarHBondContact O-CB 3.5Å; N475-S478 PolarHBondContact O-N 3.47Å; N475-S478 VanDerWaalsContact O-N 3.14Å; E476-S478 VanDerWaalsContact C-N 3.3Å; E476-S478 PolarHBondContact O-N 3.42Å; S478-S482 WeakPolarHBondContact O-CA 3.48Å; S478-S482 PolarHBondContact O-N 3.49Å; S478-I483 VanDerWaalsContact CA-O 3.31Å; S478-I483 WeakPolarHBondContact CA-O 3.44Å; S478-I483 VanDerWaalsContact CB-O 3.31Å; S478-I483 WeakPolarHBondContact CB-O 3.29Å; S478-I483 PolarHBondContact O-N 2.84Å; S478-I483 PolarHBondContact OG-O 2.74Å
479	E	96.5	Very high	94.3	Very high	138 Å²	138	43.7 Å²	43.7	65%	0.645	21%	0.205	S	C	*	.	H	α-helix	trans	-68.2	-43.1	179.1	-73	167.6	-165.5	0	0	112.3	N475 E476 T481	N475-E479 WeakPolarHBondContact O-CB 3.5Å; N475-E479 WeakPolarHBondContact O-CG 3.44Å; N475-E479 PolarHBondContact O-N 3.32Å; E476-E479 PolarHBondContact O-N 2.8Å; E479-T481 PolarHBondContact O-N 3.27Å
480	I	96.4	Very high	95.2	Very high	98 Å²	98	39.9 Å²	39.9	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-67.6	-37.5	179.4	-65.5	163.9	0	0	0	111.3	K427 I458 E476	K427-I480 WeakPolarHBondContact CE-O 3.44Å; I458-I480 HydrophobicContact CD1-CB 4.11Å; I458-I480 HydrophobicContact CD1-CG2 3.59Å; I458-I480 HydrophobicContact CG1-CG2 4.25Å; E476-I480 WeakPolarHBondContact O-CB 3.42Å; E476-I480 WeakPolarHBondContact O-CD1 3.37Å; E476-I480 WeakPolarHBondContact O-CG1 3.34Å; E476-I480 PolarHBondContact O-N 3.03Å
481	T	97.7	Very high	95.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-94.8	-17.1	-173.9	60.2	0	0	0	0	114.4	T454 I458 I477 E479 I483	T454-T481 HydrophobicContact CG2-CG2 3.68Å; I458-T481 HydrophobicContact CD1-CG2 3.15Å; I477-T481 HydrophobicContact CG2-CG2 4.31Å; I477-T481 WeakPolarHBondContact O-CB 3.41Å; I477-T481 VanDerWaalsContact O-CG2 3.28Å; I477-T481 WeakPolarHBondContact O-CG2 3.33Å; I477-T481 PolarHBondContact O-N 3.4Å; I477-T481 PolarHBondContact O-OG1 3.14Å; E479-T481 PolarHBondContact O-N 3.27Å; T481-I483 HydrophobicContact CG2-CD1 4.19Å; T481-I483 PolarHBondContact O-N 2.87Å; T481-I483 WeakPolarHBondContact OG1-CB 3.23Å; T481-I483 WeakPolarHBondContact OG1-CG1 3.47Å; T481-I483 PolarHBondContact OG1-N 3.48Å; T481-I483 VanDerWaalsContact OG1-N 3.1Å
482	S	98.3	Very high	96.2	Very high	5 Å²	5	36 Å²	36	4%	0.035	18%	0.179	C	C	.	.			trans	57.9	16	-162.7	-69.7	0	0	0	0	114.6	Y423 K427 K431 T432 G433 S478	Y423-S482 WeakPolarHBondContact CE1-O 3.38Å; K427-S482 VanDerWaalsContact CA-OG 3.29Å; K427-S482 WeakPolarHBondContact CA-OG 3.45Å; K427-S482 VanDerWaalsContact CG-OG 3.27Å; K427-S482 WeakPolarHBondContact CG-OG 3.18Å; K427-S482 PolarHBondContact N-OG 3.29Å; K431-S482 VanDerWaalsContact O-CB 3.24Å; K431-S482 WeakPolarHBondContact O-CB 3.43Å; K431-S482 PolarHBondContact O-OG 3.49Å; T432-S482 CarbonylContact C-O 3.51Å; T432-S482 VanDerWaalsContact CA-O 3.25Å; T432-S482 WeakPolarHBondContact CA-O 3.44Å; G433-S482 PolarHBondContact N-O 3.21Å; S478-S482 WeakPolarHBondContact O-CA 3.48Å; S478-S482 PolarHBondContact O-N 3.49Å
483	I	98.4	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-82	136	173.7	-61	164.8	0	0	0	108.5	Y423 W451 T454 S478 T481 D487 V488	Y423-I483 HydrophobicContact CD1-CG1 4.08Å; Y423-I483 HydrophobicContact CE1-CB 4.25Å; Y423-I483 HydrophobicContact CE1-CG1 3.66Å; W451-I483 HydrophobicContact CB-CD1 4.49Å; W451-I483 VanDerWaalsContact CD1-CD1 3.45Å; W451-I483 HydrophobicContact CG-CD1 4.2Å; T454-I483 HydrophobicContact CG2-CD1 4.39Å; S478-I483 VanDerWaalsContact CA-O 3.31Å; S478-I483 WeakPolarHBondContact CA-O 3.44Å; S478-I483 VanDerWaalsContact CB-O 3.31Å; S478-I483 WeakPolarHBondContact CB-O 3.29Å; S478-I483 PolarHBondContact O-N 2.84Å; S478-I483 PolarHBondContact OG-O 2.74Å; T481-I483 HydrophobicContact CG2-CD1 4.19Å; T481-I483 PolarHBondContact O-N 2.87Å; T481-I483 WeakPolarHBondContact OG1-CB 3.23Å; T481-I483 WeakPolarHBondContact OG1-CG1 3.47Å; T481-I483 PolarHBondContact OG1-N 3.48Å; T481-I483 VanDerWaalsContact OG1-N 3.1Å; I483-D487 HydrophobicContact CG2-CB 3.54Å; I483-V488 HydrophobicContact CB-CG2 4.06Å; I483-V488 HydrophobicContact CG2-CG2 3.88Å
484	K	97.1	Very high	96.3	Very high	33 Å²	33	47.4 Å²	47.4	14%	0.143	23%	0.227	C	C	.	.			trans	-58.2	148.1	174.9	-78.5	-160.2	-177.2	-171.1	0	111.9	E396 G433 T434 E486 D487 V488	E396-K484 PolarHBondContact O-NZ 3.21Å; G433-K484 PolarHBondContact O-N 3.33Å; T434-K484 HydrophobicContact CG2-CD 3.73Å; T434-K484 HydrophobicContact CG2-CG 4.45Å; K484-E486 WeakPolarHBondContact CB-OE2 3.45Å; K484-E486 PolarHBondContact O-N 2.81Å; K484-D487 PolarHBondContact O-N 2.97Å; K484-V488 PolarHBondContact O-N 3.23Å
485	K	96.6	Very high	96.3	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-37	-174.9	-61.6	178.8	-169.2	-174.2	0	111.8	I474 N475 D487 V488 I489	I474-K485 HydrophobicContact CG2-CB 4.05Å; I474-K485 HydrophobicContact CG2-CG 4.36Å; N475-K485 VanDerWaalsContact OD1-CD 3.29Å; N475-K485 WeakPolarHBondContact OD1-CD 3.44Å; N475-K485 WeakPolarHBondContact OD1-CE 3.37Å; N475-K485 PolarHBondContact OD1-NZ 2.91Å; K485-D487 VanDerWaalsContact C-N 3.34Å; K485-D487 PolarHBondContact O-N 2.81Å; K485-V488 WeakPolarHBondContact O-CB 3.48Å; K485-V488 PolarHBondContact O-N 3.05Å; K485-I489 VanDerWaalsContact O-CG1 3.25Å; K485-I489 WeakPolarHBondContact O-CG1 3.35Å; K485-I489 PolarHBondContact O-N 3.36Å
486	E	96.1	Very high	96.2	Very high	118 Å²	118	53 Å²	53	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-64.4	-39.8	179.4	-58	70.1	-146.7	0	0	111.2	K484 S490	K484-E486 WeakPolarHBondContact CB-OE2 3.45Å; K484-E486 PolarHBondContact O-N 2.81Å; E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 3.44Å; E486-S490 PolarHBondContact O-OG 2.88Å
487	D	97.3	Very high	96	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-72.8	-34.1	177	-65.8	-30.9	0	0	0	111.3	T434 W451 I483 K484 K485 S490 T491	T434-D487 WeakPolarHBondContact CB-OD2 3.48Å; T434-D487 PolarHBondContact OG1-OD2 2.82Å; W451-D487 HydrophobicContact CD2-CB 4.38Å; W451-D487 HydrophobicContact CE3-CB 4.25Å; W451-D487 HydrophobicContact CH2-CB 3.81Å; W451-D487 WeakPolarHBondContact CH2-OD1 3.04Å; W451-D487 HydrophobicContact CZ2-CB 3.93Å; W451-D487 HydrophobicContact CZ3-CB 3.97Å; I483-D487 HydrophobicContact CG2-CB 3.54Å; K484-D487 PolarHBondContact O-N 2.97Å; K485-D487 VanDerWaalsContact C-N 3.34Å; K485-D487 PolarHBondContact O-N 2.81Å; D487-S490 WeakPolarHBondContact CA-OG 3.3Å; D487-S490 PolarHBondContact O-OG 2.8Å; D487-S490 VanDerWaalsContact O-OG 3.12Å; D487-T491 VanDerWaalsContact O-CB 3.25Å; D487-T491 WeakPolarHBondContact O-CB 3.25Å; D487-T491 PolarHBondContact O-N 2.98Å; D487-T491 PolarHBondContact O-OG1 3.4Å
488	V	97.8	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-51.6	171.2	174.7	0	0	0	0	110.6	I455 I474 I477 I483 K484 K485 T491 L492	I455-V488 HydrophobicContact CD1-CB 4.38Å; I455-V488 HydrophobicContact CD1-CG1 4.22Å; I455-V488 HydrophobicContact CD1-CG2 4.32Å; I474-V488 HydrophobicContact CD1-CG1 4.06Å; I474-V488 HydrophobicContact CG2-CB 4.42Å; I474-V488 HydrophobicContact CG2-CG1 4.21Å; I477-V488 HydrophobicContact CB-CG1 4.03Å; I477-V488 HydrophobicContact CD1-CG1 4.18Å; I477-V488 HydrophobicContact CG2-CB 4.49Å; I477-V488 HydrophobicContact CG2-CG1 3.68Å; I477-V488 HydrophobicContact CG2-CG2 3.9Å; I483-V488 HydrophobicContact CB-CG2 4.06Å; I483-V488 HydrophobicContact CG2-CG2 3.88Å; K484-V488 PolarHBondContact O-N 3.23Å; K485-V488 WeakPolarHBondContact O-CB 3.48Å; K485-V488 PolarHBondContact O-N 3.05Å; V488-T491 PolarHBondContact O-N 2.96Å; V488-L492 HydrophobicContact CG1-CD1 3.86Å; V488-L492 HydrophobicContact CG1-CG 4.37Å; V488-L492 VanDerWaalsContact O-CG 3.3Å; V488-L492 WeakPolarHBondContact O-CG 3.36Å; V488-L492 PolarHBondContact O-N 3.08Å
489	I	95.8	Very high	95.3	Very high	63 Å²	63	54.6 Å²	54.6	32%	0.323	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-50.7	-179.8	-68.4	163.2	0	0	0	110.3	I474 K485 T491 L492 Q493	I474-I489 HydrophobicContact CD1-CG1 4.15Å; I474-I489 HydrophobicContact CG1-CG1 4.32Å; I474-I489 HydrophobicContact CG2-CD1 4.24Å; I474-I489 HydrophobicContact CG2-CG1 3.94Å; K485-I489 VanDerWaalsContact O-CG1 3.25Å; K485-I489 WeakPolarHBondContact O-CG1 3.35Å; K485-I489 PolarHBondContact O-N 3.36Å; I489-T491 VanDerWaalsContact C-N 3.26Å; I489-T491 PolarHBondContact O-N 3.37Å; I489-L492 PolarHBondContact O-N 3.33Å; I489-Q493 HydrophobicContact CG2-CG 4.36Å; I489-Q493 WeakPolarHBondContact O-CB 3.24Å; I489-Q493 VanDerWaalsContact O-CG 3.31Å; I489-Q493 WeakPolarHBondContact O-CG 3.28Å; I489-Q493 PolarHBondContact O-N 2.89Å
490	S	95.9	Very high	94.8	Very high	49 Å²	49	55.2 Å²	55.2	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-33.2	-179.7	62.1	0	0	0	0	112.5	E486 D487 Y494	E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 3.44Å; E486-S490 PolarHBondContact O-OG 2.88Å; D487-S490 WeakPolarHBondContact CA-OG 3.3Å; D487-S490 PolarHBondContact O-OG 2.8Å; D487-S490 VanDerWaalsContact O-OG 3.12Å; S490-Y494 VanDerWaalsContact O-CB 3.23Å; S490-Y494 WeakPolarHBondContact O-CB 3.43Å; S490-Y494 PolarHBondContact O-N 3.36Å
491	T	97.2	Very high	94.1	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-70	-44.8	174.7	-58.9	0	0	0	0	111.8	W451 I455 D487 V488 I489 Q493 Y494 L495	W451-T491 HydrophobicContact CB-CG2 4.07Å; I455-T491 HydrophobicContact CD1-CG2 3.8Å; D487-T491 VanDerWaalsContact O-CB 3.25Å; D487-T491 WeakPolarHBondContact O-CB 3.25Å; D487-T491 PolarHBondContact O-N 2.98Å; D487-T491 PolarHBondContact O-OG1 3.4Å; V488-T491 PolarHBondContact O-N 2.96Å; I489-T491 VanDerWaalsContact C-N 3.26Å; I489-T491 PolarHBondContact O-N 3.37Å; T491-Q493 VanDerWaalsContact C-N 3.3Å; T491-Q493 PolarHBondContact O-N 2.93Å; T491-Y494 PolarHBondContact O-N 3.13Å; T491-L495 HydrophobicContact CG2-CD1 4.08Å; T491-L495 HydrophobicContact CG2-CG 4.46Å; T491-L495 WeakPolarHBondContact O-CB 3.19Å; T491-L495 VanDerWaalsContact O-CG 3.31Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.42Å
492	L	95.6	Very high	93.4	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-37.2	177.2	-69.9	171.3	0	0	0	111.8	I455 L459 I474 I477 V488 I489 N496 L497 I498 L507	I455-L492 HydrophobicContact CG2-CD2 3.71Å; I455-L492 HydrophobicContact CG2-CG 4.42Å; L459-L492 HydrophobicContact CD1-CD2 4.08Å; I474-L492 HydrophobicContact CD1-CD1 3.43Å; I474-L492 VanDerWaalsContact CD1-CD1 3.43Å; I477-L492 HydrophobicContact CD1-CD1 4.39Å; V488-L492 HydrophobicContact CG1-CD1 3.86Å; V488-L492 HydrophobicContact CG1-CG 4.37Å; V488-L492 VanDerWaalsContact O-CG 3.3Å; V488-L492 WeakPolarHBondContact O-CG 3.36Å; V488-L492 PolarHBondContact O-N 3.08Å; I489-L492 PolarHBondContact O-N 3.33Å; L492-N496 PolarHBondContact O-N 3.21Å; L492-L497 HydrophobicContact CD2-CB 4.33Å; L492-L497 HydrophobicContact CD2-CD1 3.96Å; L492-L497 PolarHBondContact O-N 3.35Å; L492-I498 HydrophobicContact CB-CD1 3.65Å; L492-I498 HydrophobicContact CB-CG1 3.62Å; L492-I498 HydrophobicContact CD1-CD1 4.3Å; L492-I498 HydrophobicContact CD1-CG1 4.47Å; L492-L507 HydrophobicContact CD1-CD2 4.23Å; L492-L507 HydrophobicContact CD2-CD1 4.29Å; L492-L507 HydrophobicContact CD2-CD2 4.06Å
493	Q	94.1	Very high	92.6	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-46.5	171.8	-72.5	173.3	-24.3	0	0	111.7	I489 T491 L495 N496 I498	I489-Q493 HydrophobicContact CG2-CG 4.36Å; I489-Q493 WeakPolarHBondContact O-CB 3.24Å; I489-Q493 VanDerWaalsContact O-CG 3.31Å; I489-Q493 WeakPolarHBondContact O-CG 3.28Å; I489-Q493 PolarHBondContact O-N 2.89Å; T491-Q493 VanDerWaalsContact C-N 3.3Å; T491-Q493 PolarHBondContact O-N 2.93Å; Q493-L495 PolarHBondContact O-N 2.93Å; Q493-N496 PolarHBondContact O-N 2.77Å; Q493-N496 PolarHBondContact O-OD1 2.73Å; Q493-I498 HydrophobicContact CG-CD1 4.07Å
494	Y	93.4	Very high	91.8	Very high	133 Å²	133	72.7 Å²	72.7	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-34.8	177.3	172.5	-105.9	0	0	0	112.7	S490 T491 N496	S490-Y494 VanDerWaalsContact O-CB 3.23Å; S490-Y494 WeakPolarHBondContact O-CB 3.43Å; S490-Y494 PolarHBondContact O-N 3.36Å; T491-Y494 PolarHBondContact O-N 3.13Å; Y494-N496 VanDerWaalsContact C-N 3.29Å
495	L	93.3	Very high	91.3	Very high	36 Å²	36	76 Å²	76	19%	0.188	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.4	175.8	-65.1	175.8	0	0	0	113.6	L456 T491 Q493 L497	L456-L495 HydrophobicContact CD1-CD1 4.24Å; L456-L495 HydrophobicContact CD2-CD1 4.46Å; L456-L495 HydrophobicContact CG-CD1 4.19Å; T491-L495 HydrophobicContact CG2-CD1 4.08Å; T491-L495 HydrophobicContact CG2-CG 4.46Å; T491-L495 WeakPolarHBondContact O-CB 3.19Å; T491-L495 VanDerWaalsContact O-CG 3.31Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.42Å; Q493-L495 PolarHBondContact O-N 2.93Å; L495-L497 HydrophobicContact CB-CD1 3.82Å; L495-L497 HydrophobicContact CB-CD2 4.48Å; L495-L497 HydrophobicContact CB-CG 3.64Å; L495-L497 HydrophobicContact CD1-CD1 3.84Å; L495-L497 PolarHBondContact O-N 2.83Å
496	N	93.3	Very high	90.9	Very high	136 Å²	136	72.3 Å²	72.3	73%	0.727	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.3	-174.7	-59.9	-52.6	0	0	0	113.6	L492 Q493 Y494	L492-N496 PolarHBondContact O-N 3.21Å; Q493-N496 PolarHBondContact O-N 2.77Å; Q493-N496 PolarHBondContact O-OD1 2.73Å; Y494-N496 VanDerWaalsContact C-N 3.29Å
497	L	92.3	Very high	90.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.32	C	S	.	.			trans	-88.6	-23.6	-177.4	-63.3	179.5	0	0	0	113.1	L456 L459 L492 L495 L507 T508 L509 I513	L456-L497 HydrophobicContact CD2-CD1 3.93Å; L459-L497 HydrophobicContact CD1-CD1 4.16Å; L492-L497 HydrophobicContact CD2-CB 4.33Å; L492-L497 HydrophobicContact CD2-CD1 3.96Å; L492-L497 PolarHBondContact O-N 3.35Å; L495-L497 HydrophobicContact CB-CD1 3.82Å; L495-L497 HydrophobicContact CB-CD2 4.48Å; L495-L497 HydrophobicContact CB-CG 3.64Å; L495-L497 HydrophobicContact CD1-CD1 3.84Å; L495-L497 PolarHBondContact O-N 2.83Å; L497-L507 HydrophobicContact CB-CD2 4.17Å; L497-L507 VanDerWaalsContact O-CA 3.26Å; L497-L507 WeakPolarHBondContact O-CA 3.31Å; L497-T508 WeakPolarHBondContact CD2-O 3.41Å; L497-T508 PolarHBondContact O-N 3.13Å; L497-L509 HydrophobicContact CD1-CD2 4.11Å; L497-L509 HydrophobicContact CD2-CD2 3.9Å; L497-I513 HydrophobicContact CD2-CD1 3.61Å
498	I	90.9	Very high	90.2	Very high	44 Å²	44	67.7 Å²	67.7	23%	0.226	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.4	-176.7	-54	-175.4	0	0	0	110	L492 Q493 Y505 L507	L492-I498 HydrophobicContact CB-CD1 3.65Å; L492-I498 HydrophobicContact CB-CG1 3.62Å; L492-I498 HydrophobicContact CD1-CD1 4.3Å; L492-I498 HydrophobicContact CD1-CG1 4.47Å; Q493-I498 HydrophobicContact CG-CD1 4.07Å; I498-Y505 HydrophobicContact CG2-CD1 3.52Å; I498-Y505 HydrophobicContact CG2-CE1 4.24Å; I498-Y505 HydrophobicContact CG2-CG 4.34Å; I498-L507 HydrophobicContact CG1-CD2 3.86Å
499	N	88.3	Confident	89.9	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.7	174.3	-68.3	-48.4	0	0	0	110.8	Y505 I506 T508	N499-Y505 CarbonylContact O-C 3.52Å; N499-Y505 WeakPolarHBondContact O-CA 3.35Å; N499-I506 HydrophobicContact CB-CG1 3.95Å; N499-I506 PolarHBondContact N-O 2.84Å; N499-I506 PolarHBondContact O-N 2.82Å; N499-T508 WeakPolarHBondContact ND2-CB 3.42Å; N499-T508 PolarHBondContact ND2-OG1 3.2Å
500	Y	86.2	Confident	89.6	Confident	152 Å²	152	66.9 Å²	66.9	60%	0.596	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	173.8	-171	-104.8	0	0	0	110.3	G503 Y505	Y500-G503 WeakPolarHBondContact OH-CA 3.39Å; Y500-Y505 HydrophobicContact CD2-CD1 4.07Å; Y500-Y505 AromaticContact CD2-CD2 3.76Å; Y500-Y505 HydrophobicContact CD2-CD2 3.76Å; Y500-Y505 HydrophobicContact CD2-CE1 4.03Å; Y500-Y505 AromaticContact CD2-CE2 3.74Å; Y500-Y505 HydrophobicContact CD2-CE2 3.74Å; Y500-Y505 AromaticContact CD2-CG 3.99Å; Y500-Y505 HydrophobicContact CD2-CG 3.99Å; Y500-Y505 AromaticContact CD2-CZ 3.88Å; Y500-Y505 HydrophobicContact CE2-CD2 4.12Å; Y500-Y505 AromaticContact CE2-CE2 3.93Å; Y500-Y505 HydrophobicContact CE2-CE2 3.93Å
501	Y	81.8	Confident	89.2	Confident	127 Å²	127	69.6 Å²	69.6	50%	0.498	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.7	-176.9	-173	-102.4	0	0	0	111.3	G503 Q504 I506	Y501-G503 VanDerWaalsContact C-N 3.25Å; Y501-G503 PolarHBondContact O-N 2.92Å; Y501-G503 VanDerWaalsContact O-N 3.16Å; Y501-Q504 PolarHBondContact N-O 3.34Å; Y501-Q504 PolarHBondContact O-N 2.85Å; Y501-Q504 VanDerWaalsContact O-O 3.04Å; Y501-I506 HydrophobicContact CG-CD1 4.43Å
502	K	82.5	Confident	89	Confident	177 Å²	177	75.6 Å²	75.6	77%	0.77	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	42.1	178	-67.4	-174.4	176.4	179.5	0	114.5
503	G	81	Confident	88.8	Confident	49 Å²	49	77.9 Å²	77.9	51%	0.505	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.5	178.2	0	0	0	0	0	115.2	Y500 Y501	Y500-G503 WeakPolarHBondContact OH-CA 3.39Å; Y501-G503 VanDerWaalsContact C-N 3.25Å; Y501-G503 PolarHBondContact O-N 2.92Å; Y501-G503 VanDerWaalsContact O-N 3.16Å
504	Q	82.3	Confident	88.6	Confident	117 Å²	117	73.8 Å²	73.8	55%	0.547	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.8	-177.3	-63.7	-174.4	-22	0	0	110.6	Y501	Y501-Q504 PolarHBondContact N-O 3.34Å; Y501-Q504 PolarHBondContact O-N 2.85Å; Y501-Q504 VanDerWaalsContact O-O 3.04Å
505	Y	86.1	Confident	88.5	Confident	102 Å²	102	70.8 Å²	70.8	40%	0.4	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.5	166.9	-56.8	-106.1	0	0	0	110.2	L147 F149 I498 N499 Y500	L147-Y505 WeakPolarHBondContact CA-O 3.21Å; L147-Y505 VanDerWaalsContact CB-O 3.3Å; L147-Y505 WeakPolarHBondContact CB-O 3.41Å; L147-Y505 PolarHBondContact N-O 2.81Å; L147-Y505 VanDerWaalsContact N-O 3.08Å; F149-Y505 HydrophobicContact CD2-CD2 4.12Å; F149-Y505 HydrophobicContact CE1-CD2 4.34Å; F149-Y505 AromaticContact CE2-CD2 3.07Å; F149-Y505 HydrophobicContact CE2-CD2 3.07Å; F149-Y505 AromaticContact CE2-CE2 3.97Å; F149-Y505 HydrophobicContact CE2-CE2 3.97Å; F149-Y505 AromaticContact CE2-CG 3.56Å; F149-Y505 HydrophobicContact CE2-CG 3.56Å; F149-Y505 HydrophobicContact CZ-CD1 4.42Å; F149-Y505 AromaticContact CZ-CD2 3.2Å; F149-Y505 HydrophobicContact CZ-CD2 3.2Å; F149-Y505 AromaticContact CZ-CE2 3.78Å; F149-Y505 HydrophobicContact CZ-CE2 3.78Å; F149-Y505 AromaticContact CZ-CG 3.54Å; F149-Y505 HydrophobicContact CZ-CG 3.54Å; I498-Y505 HydrophobicContact CG2-CD1 3.52Å; I498-Y505 HydrophobicContact CG2-CE1 4.24Å; I498-Y505 HydrophobicContact CG2-CG 4.34Å; N499-Y505 CarbonylContact O-C 3.52Å; N499-Y505 WeakPolarHBondContact O-CA 3.35Å; Y500-Y505 HydrophobicContact CD2-CD1 4.07Å; Y500-Y505 AromaticContact CD2-CD2 3.76Å; Y500-Y505 HydrophobicContact CD2-CD2 3.76Å; Y500-Y505 HydrophobicContact CD2-CE1 4.03Å; Y500-Y505 AromaticContact CD2-CE2 3.74Å; Y500-Y505 HydrophobicContact CD2-CE2 3.74Å; Y500-Y505 AromaticContact CD2-CG 3.99Å; Y500-Y505 HydrophobicContact CD2-CG 3.99Å; Y500-Y505 AromaticContact CD2-CZ 3.88Å; Y500-Y505 HydrophobicContact CE2-CD2 4.12Å; Y500-Y505 AromaticContact CE2-CE2 3.93Å; Y500-Y505 HydrophobicContact CE2-CE2 3.93Å
506	I	88.3	Confident	88.6	Confident	13 Å²	13	70.4 Å²	70.4	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.9	176.6	63.6	173.3	0	0	0	108.6	I145 N499 Y501	I145-I506 CarbonylContact O-C 3.58Å; I145-I506 WeakPolarHBondContact O-CA 3.42Å; N499-I506 HydrophobicContact CB-CG1 3.95Å; N499-I506 PolarHBondContact N-O 2.84Å; N499-I506 PolarHBondContact O-N 2.82Å; Y501-I506 HydrophobicContact CG-CD1 4.43Å
507	L	90.6	Very high	88.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128	168.3	-63	179.1	0	0	0	109.2	I145 L147 L459 I472 L492 L497 I498	I145-L507 HydrophobicContact CB-CB 4.12Å; I145-L507 PolarHBondContact N-O 3Å; I145-L507 PolarHBondContact O-N 2.96Å; L147-L507 HydrophobicContact CB-CG 4.35Å; L147-L507 HydrophobicContact CD1-CD1 3.73Å; L147-L507 HydrophobicContact CD1-CD2 3.73Å; L147-L507 HydrophobicContact CD1-CG 3.59Å; L459-L507 HydrophobicContact CD1-CD1 3.97Å; L459-L507 HydrophobicContact CD2-CD1 3.55Å; L459-L507 HydrophobicContact CG-CD1 4.43Å; I472-L507 HydrophobicContact CG2-CD1 4.28Å; L492-L507 HydrophobicContact CD1-CD2 4.23Å; L492-L507 HydrophobicContact CD2-CD1 4.29Å; L492-L507 HydrophobicContact CD2-CD2 4.06Å; L497-L507 HydrophobicContact CB-CD2 4.17Å; L497-L507 VanDerWaalsContact O-CA 3.26Å; L497-L507 WeakPolarHBondContact O-CA 3.31Å; I498-L507 HydrophobicContact CG1-CD2 3.86Å
508	T	88.5	Confident	88.6	Confident	29 Å²	29	69.4 Å²	69.4	18%	0.178	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.8	178.5	-52.4	0	0	0	0	109.8	P142 L497 N499	P142-T508 HydrophobicContact CB-CG2 4.24Å; L497-T508 WeakPolarHBondContact CD2-O 3.41Å; L497-T508 PolarHBondContact O-N 3.13Å; N499-T508 WeakPolarHBondContact ND2-CB 3.42Å; N499-T508 PolarHBondContact ND2-OG1 3.2Å
509	L	89.6	Confident	88.7	Confident	4 Å²	4	75 Å²	75	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.2	173.6	-62.4	170.7	0	0	0	108.7	V143 I145 L456 L459 M460 L497 V514	V143-L509 HydrophobicContact CB-CB 4.36Å; V143-L509 PolarHBondContact N-O 2.93Å; V143-L509 PolarHBondContact O-N 2.78Å; I145-L509 HydrophobicContact CD1-CD1 3.67Å; I145-L509 HydrophobicContact CD1-CG 4.31Å; L456-L509 HydrophobicContact CD2-CD2 3.68Å; L459-L509 HydrophobicContact CB-CD1 4.01Å; L459-L509 HydrophobicContact CD1-CD2 4.25Å; M460-L509 HydrophobicContact CG-CD1 4.4Å; L497-L509 HydrophobicContact CD1-CD2 4.11Å; L497-L509 HydrophobicContact CD2-CD2 3.9Å; L509-V514 HydrophobicContact CB-CG2 4.36Å
510	S	89.7	Confident	88.9	Confident	42 Å²	42	73.3 Å²	73.3	29%	0.294	36%	0.363	S	S	.	.			trans	-80.6	156.2	170.2	64.1	0	0	0	0	111.1	D512 I513 V514	S510-D512 VanDerWaalsContact C-N 3.26Å; S510-D512 PolarHBondContact O-N 3.31Å; S510-I513 PolarHBondContact O-N 3.45Å; S510-I513 VanDerWaalsContact O-N 3.12Å; S510-I513 WeakPolarHBondContact OG-CD1 3.16Å; S510-I513 VanDerWaalsContact OG-CG1 3.29Å; S510-I513 WeakPolarHBondContact OG-CG1 3.36Å; S510-I513 PolarHBondContact OG-N 3.18Å; S510-V514 PolarHBondContact O-N 2.75Å; S510-V514 VanDerWaalsContact O-N 3.12Å
511	E	88.9	Confident	89.2	Confident	106 Å²	106	67.8 Å²	67.8	50%	0.495	34%	0.343	S	S	.	.	H	α-helix	trans	-56	-41.8	174.6	-168.7	171.7	-167.5	0	0	111.2	I513 V514 D515	E511-I513 VanDerWaalsContact C-N 3.29Å; E511-I513 PolarHBondContact O-N 3.17Å; E511-V514 WeakPolarHBondContact O-CB 3.49Å; E511-V514 PolarHBondContact O-N 3.2Å; E511-V514 VanDerWaalsContact O-N 3.12Å; E511-D515 WeakPolarHBondContact O-CB 3.47Å; E511-D515 PolarHBondContact O-N 3.37Å
512	D	91.4	Very high	89.6	Confident	132 Å²	132	68.5 Å²	68.5	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-58.1	-38	176.4	-67.5	-34.7	0	0	0	113.7	S510 G516	S510-D512 VanDerWaalsContact C-N 3.26Å; S510-D512 PolarHBondContact O-N 3.31Å; D512-G516 WeakPolarHBondContact O-CA 3.37Å; D512-G516 PolarHBondContact O-N 2.68Å
513	I	91.4	Very high	90	Very high	48 Å²	48	68.5 Å²	68.5	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-71.7	-41.5	178.7	-69.7	172.5	0	0	0	109.9	L456 L497 S510 E511 G516 H517	L456-I513 HydrophobicContact CD1-CG2 4.16Å; L456-I513 HydrophobicContact CD2-CG2 3.73Å; L497-I513 HydrophobicContact CD2-CD1 3.61Å; S510-I513 PolarHBondContact O-N 3.45Å; S510-I513 VanDerWaalsContact O-N 3.12Å; S510-I513 WeakPolarHBondContact OG-CD1 3.16Å; S510-I513 VanDerWaalsContact OG-CG1 3.29Å; S510-I513 WeakPolarHBondContact OG-CG1 3.36Å; S510-I513 PolarHBondContact OG-N 3.18Å; E511-I513 VanDerWaalsContact C-N 3.29Å; E511-I513 PolarHBondContact O-N 3.17Å; I513-G516 PolarHBondContact O-N 3.46Å; I513-H517 WeakPolarHBondContact O-CB 3.44Å; I513-H517 PolarHBondContact O-N 3.33Å
514	V	90.8	Very high	90.5	Very high	31 Å²	31	67.7 Å²	67.7	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-54.5	176.4	171.4	0	0	0	0	110.2	M460 L509 S510 E511 G516 H517 E518	M460-V514 HydrophobicContact CE-CG1 3.74Å; M460-V514 HydrophobicContact SD-CG1 4.43Å; M460-V514 HydrophobicContact SD-CG2 4.45Å; L509-V514 HydrophobicContact CB-CG2 4.36Å; S510-V514 PolarHBondContact O-N 2.75Å; S510-V514 VanDerWaalsContact O-N 3.12Å; E511-V514 WeakPolarHBondContact O-CB 3.49Å; E511-V514 PolarHBondContact O-N 3.2Å; E511-V514 VanDerWaalsContact O-N 3.12Å; V514-G516 VanDerWaalsContact C-N 3.29Å; V514-G516 PolarHBondContact O-N 3.44Å; V514-H517 WeakPolarHBondContact O-CA 3.31Å; V514-H517 WeakPolarHBondContact O-CB 3.35Å; V514-H517 PolarHBondContact O-N 3.29Å; V514-E518 WeakPolarHBondContact O-CG 3.2Å; V514-E518 PolarHBondContact O-N 3.48Å
515	D	92.5	Very high	90.9	Very high	69 Å²	69	69.6 Å²	69.6	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-38.3	178.5	-72.9	-1.2	0	0	0	112.3	E511 R519	E511-D515 WeakPolarHBondContact O-CB 3.47Å; E511-D515 PolarHBondContact O-N 3.37Å; D515-R519 WeakPolarHBondContact O-CB 3.39Å; D515-R519 VanDerWaalsContact O-CG 3.28Å; D515-R519 WeakPolarHBondContact O-CG 3.49Å; D515-R519 PolarHBondContact O-N 3.44Å; D515-R519 VanDerWaalsContact O-N 3.11Å; D515-R519 PolarHBondContact O-NE 3.42Å
516	G	93.5	Very high	91.2	Very high	29 Å²	29	67.6 Å²	67.6	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-44.9	173.5	0	0	0	0	0	111.9	D512 I513 V514 A520	D512-G516 WeakPolarHBondContact O-CA 3.37Å; D512-G516 PolarHBondContact O-N 2.68Å; I513-G516 PolarHBondContact O-N 3.46Å; V514-G516 VanDerWaalsContact C-N 3.29Å; V514-G516 PolarHBondContact O-N 3.44Å; G516-A520 WeakPolarHBondContact O-CB 3.43Å; G516-A520 PolarHBondContact O-N 2.88Å; G516-A520 VanDerWaalsContact O-N 3.09Å
517	H	93.4	Very high	91.6	Very high	14 Å²	14	70.6 Å²	70.6	7%	0.065	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-51.2	177.4	-179.5	75.5	0	0	0	111.4	Q453 L456 M460 I513 V514 R519 A520 M521	Q453-H517 PolarHBondContact O-CE1 3.2Å; Q453-H517 VanDerWaalsContact O-CE1 3.23Å; L456-H517 HydrophobicContact CD1-CB 4.16Å; M460-H517 HydrophobicContact SD-CB 4.17Å; M460-H517 PolarHBondContact SD-CD2 3.39Å; I513-H517 WeakPolarHBondContact O-CB 3.44Å; I513-H517 PolarHBondContact O-N 3.33Å; V514-H517 WeakPolarHBondContact O-CA 3.31Å; V514-H517 WeakPolarHBondContact O-CB 3.35Å; V514-H517 PolarHBondContact O-N 3.29Å; H517-R519 VanDerWaalsContact C-N 3.34Å; H517-R519 PolarHBondContact O-N 3.04Å; H517-A520 CarbonylContact O-C 3.52Å; H517-A520 WeakPolarHBondContact O-CA 3.26Å; H517-A520 WeakPolarHBondContact O-CB 3.41Å; H517-A520 PolarHBondContact O-N 3.07Å; H517-M521 VanDerWaalsContact NE2-CG 3.34Å; H517-M521 WeakPolarHBondContact NE2-CG 3.47Å; H517-M521 VanDerWaalsContact O-CG 3.29Å; H517-M521 WeakPolarHBondContact O-CG 3.46Å; H517-M521 PolarHBondContact O-N 2.89Å
518	E	93.3	Very high	91.9	Very high	100 Å²	100	71.4 Å²	71.4	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-57.2	-46.4	-179.7	-69.5	-173.8	168.4	0	0	111.8	M460 V514 A520 M521 L522	M460-E518 HydrophobicContact CE-CG 4.01Å; V514-E518 WeakPolarHBondContact O-CG 3.2Å; V514-E518 PolarHBondContact O-N 3.48Å; E518-A520 VanDerWaalsContact C-N 3.29Å; E518-A520 PolarHBondContact O-N 3.3Å; E518-M521 PolarHBondContact O-N 3.49Å; E518-M521 VanDerWaalsContact O-N 3.13Å; E518-L522 WeakPolarHBondContact O-CG 3.49Å; E518-L522 PolarHBondContact O-N 3.04Å
519	R	93.7	Very high	92.4	Very high	163 Å²	163	72.2 Å²	72.2	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-60.6	-36.9	174.8	-73.5	-175.5	-64.5	178.9	-2.5	112.9	D515 H517	D515-R519 WeakPolarHBondContact O-CB 3.39Å; D515-R519 VanDerWaalsContact O-CG 3.28Å; D515-R519 WeakPolarHBondContact O-CG 3.49Å; D515-R519 PolarHBondContact O-N 3.44Å; D515-R519 VanDerWaalsContact O-N 3.11Å; D515-R519 PolarHBondContact O-NE 3.42Å; H517-R519 VanDerWaalsContact C-N 3.34Å; H517-R519 PolarHBondContact O-N 3.04Å
520	A	91.9	Very high	92.7	Very high	35 Å²	35	75.5 Å²	75.5	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-70.5	-34.7	176.7	0	0	0	0	0	112	G516 H517 E518 K523 R524	G516-A520 WeakPolarHBondContact O-CB 3.43Å; G516-A520 PolarHBondContact O-N 2.88Å; G516-A520 VanDerWaalsContact O-N 3.09Å; H517-A520 CarbonylContact O-C 3.52Å; H517-A520 WeakPolarHBondContact O-CA 3.26Å; H517-A520 WeakPolarHBondContact O-CB 3.41Å; H517-A520 PolarHBondContact O-N 3.07Å; E518-A520 VanDerWaalsContact C-N 3.29Å; E518-A520 PolarHBondContact O-N 3.3Å; A520-K523 PolarHBondContact O-N 2.98Å; A520-R524 PolarHBondContact O-N 2.81Å
521	M	91.4	Very high	93	Very high	37 Å²	37	81.9 Å²	81.9	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-73.4	-36	178.8	-66.7	-56	-71.8	0	0	112.5	Q453 E457 H517 E518 K523 R524	Q453-M521 HydrophobicContact CB-SD 4.23Å; Q453-M521 HydrophobicContact CG-SD 4.15Å; E457-M521 WeakPolarHBondContact OE1-CE 3.42Å; H517-M521 VanDerWaalsContact NE2-CG 3.34Å; H517-M521 WeakPolarHBondContact NE2-CG 3.47Å; H517-M521 VanDerWaalsContact O-CG 3.29Å; H517-M521 WeakPolarHBondContact O-CG 3.46Å; H517-M521 PolarHBondContact O-N 2.89Å; E518-M521 PolarHBondContact O-N 3.49Å; E518-M521 VanDerWaalsContact O-N 3.13Å; M521-K523 PolarHBondContact O-N 3.4Å; M521-R524 WeakPolarHBondContact O-CB 3.22Å; M521-R524 PolarHBondContact O-N 3.37Å
522	L	91.5	Very high	93.4	Very high	142 Å²	142	78.3 Å²	78.3	74%	0.743	40%	0.395	S	S	*	.	H	α-helix	trans	-58.2	-30.2	171.5	-71.7	173	0	0	0	113	E518	E518-L522 WeakPolarHBondContact O-CG 3.49Å; E518-L522 PolarHBondContact O-N 3.04Å
523	K	90.8	Very high	93.8	Very high	177 Å²	177	73 Å²	73	77%	0.77	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.3	176.6	-64.8	175.7	-176.9	178.3	0	113.1	A520 M521 L525	A520-K523 PolarHBondContact O-N 2.98Å; M521-K523 PolarHBondContact O-N 3.4Å; K523-L525 PolarHBondContact O-N 3.31Å
524	R	91.8	Very high	94	Very high	32 Å²	32	77.5 Å²	77.5	12%	0.121	39%	0.386	C	S	.	.			trans	-90.8	84.3	-175.6	-172.1	174.8	177.1	-171	-10.8	110.7	E420 Q453 A520 M521	E420-R524 IonicContact OE1-NH2 3.44Å; E420-R524 PolarHBondContact OE1-NH2 3.28Å; E420-R524 IonicContact OE2-CZ 2.72Å; E420-R524 IonicContact OE2-NH2 3.55Å; E420-R524 PolarHBondContact OE2-NH2 3.01Å; Q453-R524 VanDerWaalsContact OE1-NH1 3.13Å; A520-R524 PolarHBondContact O-N 2.81Å; M521-R524 WeakPolarHBondContact O-CB 3.22Å; M521-R524 PolarHBondContact O-N 3.37Å
525	L	89.4	Confident	94.1	Very high	157 Å²	157	77.3 Å²	77.3	82%	0.822	38%	0.383	S	S	*	.			trans	-75.9	-28.9	-177.9	-56.9	178	0	0	0	114.1	K523	K523-L525 PolarHBondContact O-N 3.31Å
526	L	93.5	Very high	94.1	Very high	60 Å²	60	79.5 Å²	79.5	31%	0.314	40%	0.399	S	S	.	.			trans	-101.1	123.4	-177.8	-60.3	177.1	0	0	0	110.4	R412 Y414 L417	R412-L526 WeakPolarHBondContact O-CD1 3.45Å; Y414-L526 HydrophobicContact CD1-CD1 4.04Å; Y414-L526 HydrophobicContact CE1-CD1 3.72Å; L417-L526 HydrophobicContact CD1-CB 4.23Å; L417-L526 HydrophobicContact CD2-CB 4.47Å
527	R	95.9	Very high	93.9	Very high	76 Å²	76	80.8 Å²	80.8	29%	0.287	40%	0.402	S	S	.	.			trans	-137.4	147.2	174.1	-64.1	-64.6	-66.7	-103	12.4	110.2	E420 E457	E420-R527 IonicContact OE1-CZ 3.96Å; E420-R527 VanDerWaalsContact OE1-CZ 3.32Å; E420-R527 IonicContact OE1-NE 3.72Å; E420-R527 PolarHBondContact OE1-NE 3.22Å; E420-R527 IonicContact OE1-NH2 2.81Å; E420-R527 PolarHBondContact OE1-NH2 2.94Å; E420-R527 VanDerWaalsContact OE1-NH2 3.07Å; E420-R527 WeakPolarHBondContact OE2-CA 3.35Å; E420-R527 IonicContact OE2-NE 3.94Å; E457-R527 IonicContact OE1-CZ 2.64Å; E457-R527 IonicContact OE1-NH1 3.34Å; E457-R527 PolarHBondContact OE1-NH1 2.77Å; E457-R527 IonicContact OE1-NH2 3.78Å; E457-R527 IonicContact OE2-CZ 2.99Å; E457-R527 IonicContact OE2-NH1 2.83Å; E457-R527 PolarHBondContact OE2-NH1 2.83Å; E457-R527 IonicContact OE2-NH2 3.3Å; E457-R527 PolarHBondContact OE2-NH2 3.3Å
528	I	97.8	Very high	93.7	Very high	17 Å²	17	84.1 Å²	84.1	9%	0.087	42%	0.416	C	S	.	.			trans	-71.3	139.4	167.1	-61.4	-58.4	0	0	0	109.7	Y327 F334 L417 E420 F421 E424	Y327-I528 HydrophobicContact CD2-CG2 4.45Å; Y327-I528 HydrophobicContact CE1-CD1 4.3Å; Y327-I528 HydrophobicContact CE2-CD1 4.43Å; Y327-I528 HydrophobicContact CE2-CG2 3.83Å; F334-I528 HydrophobicContact CE2-CD1 4.09Å; L417-I528 HydrophobicContact CD1-CD1 3.51Å; L417-I528 HydrophobicContact CD1-CG1 3.79Å; L417-I528 HydrophobicContact CD2-CD1 4.43Å; L417-I528 HydrophobicContact CG-CD1 3.68Å; L417-I528 HydrophobicContact CG-CG1 4.3Å; E420-I528 HydrophobicContact CB-CG1 4.07Å; E420-I528 HydrophobicContact CG-CB 4Å; E420-I528 HydrophobicContact CG-CG1 3.9Å; E420-I528 PolarHBondContact OE2-N 2.65Å; F421-I528 HydrophobicContact CB-CD1 4.06Å; F421-I528 HydrophobicContact CB-CG1 4.04Å; F421-I528 HydrophobicContact CD2-CD1 3.76Å; F421-I528 HydrophobicContact CD2-CG1 4.17Å; F421-I528 HydrophobicContact CD2-CG2 4.18Å; F421-I528 HydrophobicContact CG-CD1 4.39Å; E424-I528 HydrophobicContact CB-CG2 4.47Å; E424-I528 HydrophobicContact CG-CB 4.29Å; E424-I528 HydrophobicContact CG-CG2 3.81Å
529	D	97.5	Very high	93.2	Very high	45 Å²	45	83 Å²	83	24%	0.241	41%	0.414	C	S	.	.			trans	-107.1	109.9	171.6	-167.2	-29.7	0	0	0	109.4	Y327 K329 K531 C532	Y327-D529 WeakPolarHBondContact CE2-O 3.28Å; Y327-D529 PolarHBondContact OH-N 3.29Å; K329-D529 HydrophobicContact CD-CB 3.65Å; K329-D529 IonicContact NZ-OD2 2.76Å; K329-D529 PolarHBondContact NZ-OD2 2.97Å; D529-K531 PolarHBondContact O-N 3.18Å; D529-K531 VanDerWaalsContact O-N 3.08Å; D529-K531 WeakPolarHBondContact OD1-CB 3.43Å; D529-K531 PolarHBondContact OD1-N 3.49Å; D529-K531 VanDerWaalsContact OD1-N 3.15Å; D529-C532 HydrophobicContact CB-CB 4.34Å; D529-C532 WeakPolarHBondContact O-CB 3.19Å; D529-C532 PolarHBondContact O-N 3.31Å
530	S	96.3	Very high	92.7	Very high	73 Å²	73	77 Å²	77	51%	0.51	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-58.8	-25.4	-176.7	57.4	0	0	0	0	112.9	C532 L533	S530-C532 VanDerWaalsContact C-N 3.25Å; S530-C532 PolarHBondContact O-N 3.28Å; S530-L533 WeakPolarHBondContact O-CB 3.46Å; S530-L533 PolarHBondContact O-N 3.24Å
531	K	97.3	Very high	91.9	Very high	177 Å²	177	79.5 Å²	79.5	77%	0.77	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21.9	177.2	-60.1	178.6	-178.5	177	0	113.3	D529 L533	D529-K531 PolarHBondContact O-N 3.18Å; D529-K531 VanDerWaalsContact O-N 3.08Å; D529-K531 WeakPolarHBondContact OD1-CB 3.43Å; D529-K531 PolarHBondContact OD1-N 3.49Å; D529-K531 VanDerWaalsContact OD1-N 3.15Å; K531-L533 VanDerWaalsContact C-N 3.35Å
532	C	97.6	Very high	90.7	Very high	30 Å²	30	85.6 Å²	85.6	20%	0.203	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-90.2	-2	178	-60.7	0	0	0	0	112.5	Y327 R328 K329 D529 S530	Y327-C532 WeakPolarHBondContact CA-O 3.41Å; Y327-C532 HydrophobicContact CD2-CB 3.88Å; Y327-C532 WeakPolarHBondContact CD2-O 3.49Å; Y327-C532 HydrophobicContact CE2-CB 3.61Å; R328-C532 WeakPolarHBondContact O-CB 3.4Å; K329-C532 HydrophobicContact CB-CB 4.46Å; D529-C532 HydrophobicContact CB-CB 4.34Å; D529-C532 WeakPolarHBondContact O-CB 3.19Å; D529-C532 PolarHBondContact O-N 3.31Å; S530-C532 VanDerWaalsContact C-N 3.25Å; S530-C532 PolarHBondContact O-N 3.28Å
533	L	97.9	Very high	89.1	Confident	20 Å²	20	86.8 Å²	86.8	11%	0.105	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-88.7	113.5	177.5	178.4	60.6	0	0	0	109.9	I326 Y327 F421 E424 L425 V428 S530 K531 F535	I326-L533 HydrophobicContact CD1-CD1 4.39Å; I326-L533 WeakPolarHBondContact O-CD1 3.33Å; Y327-L533 HydrophobicContact CD2-CB 4.3Å; F421-L533 HydrophobicContact CE2-CD1 3.78Å; F421-L533 HydrophobicContact CZ-CD1 3.68Å; E424-L533 HydrophobicContact CB-CD2 4.18Å; L425-L533 HydrophobicContact CD2-CD1 4.17Å; L425-L533 HydrophobicContact CD2-CD2 4.38Å; V428-L533 HydrophobicContact CG2-CD2 3.88Å; S530-L533 WeakPolarHBondContact O-CB 3.46Å; S530-L533 PolarHBondContact O-N 3.24Å; K531-L533 VanDerWaalsContact C-N 3.35Å; L533-F535 HydrophobicContact CD1-CB 3.76Å; L533-F535 HydrophobicContact CG-CB 3.95Å
534	H	95.8	Very high	87	Confident	144 Å²	144	81.8 Å²	81.8	67%	0.667	43%	0.425	S	S	*	.			trans	-107.3	82.3	174.7	-59.5	-59.5	0	0	0	109.1	I326	I326-H534 PolarHBondContact O-N 3.24Å
535	F	94.2	Very high	84.4	Confident	27 Å²	27	88.8 Å²	88.8	12%	0.118	46%	0.456	C	S	.	.			trans	-131.7	139.8	-174.5	-179.4	-109.7	0	0	0	111.7	I326 L425 V428 E429 L533 P537	I326-F535 HydrophobicContact CD1-CD2 4.07Å; L425-F535 HydrophobicContact CD2-CB 4.39Å; L425-F535 HydrophobicContact CD2-CD1 3.75Å; L425-F535 HydrophobicContact CD2-CD2 4.14Å; L425-F535 HydrophobicContact CD2-CE1 3.98Å; L425-F535 HydrophobicContact CD2-CE2 4.35Å; L425-F535 HydrophobicContact CD2-CG 3.83Å; L425-F535 HydrophobicContact CD2-CZ 4.27Å; V428-F535 HydrophobicContact CB-CD1 4.3Å; V428-F535 HydrophobicContact CG1-CD1 3.9Å; E429-F535 HydrophobicContact CG-CE1 4.3Å; L533-F535 HydrophobicContact CD1-CB 3.76Å; L533-F535 HydrophobicContact CG-CB 3.95Å; F535-P537 HydrophobicContact CD1-CG 4.49Å; F535-P537 HydrophobicContact CE1-CB 4.49Å; F535-P537 HydrophobicContact CE1-CG 4.09Å
536	T	91.6	Very high	81.7	Confident	115 Å²	115	96.8 Å²	96.8	71%	0.706	48%	0.476	S	S	*	.			trans	-126.6	118.8	172.7	-54.5	0	0	0	0	108.5	K538	T536-K538 PolarHBondContact O-N 2.99Å
537	P	89.8	Confident	81.1	Confident	56 Å²	56	98.6 Å²	98.6	36%	0.364	48%	0.484	S	S	.	.			trans	-55	136.6	178.4	-28.2	36.1	0	0	0	112	V428 E429 F535	V428-P537 HydrophobicContact CG1-CG 4.02Å; E429-P537 HydrophobicContact CG-CB 4.04Å; E429-P537 HydrophobicContact CG-CG 3.92Å; F535-P537 HydrophobicContact CD1-CG 4.49Å; F535-P537 HydrophobicContact CE1-CB 4.49Å; F535-P537 HydrophobicContact CE1-CG 4.09Å
538	K	88.6	Confident	80.3	Confident	84 Å²	84	99.8 Å²	99.8	37%	0.365	49%	0.494	S	S	.	.			trans	-101.8	134.4	174.8	-67.3	169.7	-166.7	144.3	0	109.3	E336 T536 W540	E336-K538 IonicContact OE1-NZ 3.32Å; E336-K538 PolarHBondContact OE1-NZ 3Å; E336-K538 IonicContact OE2-NZ 2.8Å; E336-K538 PolarHBondContact OE2-NZ 3.49Å; T536-K538 PolarHBondContact O-N 2.99Å; K538-W540 HydrophobicContact CB-CZ2 4.33Å; K538-W540 HydrophobicContact CD-CH2 4.47Å; K538-W540 HydrophobicContact CD-CZ2 3.78Å; K538-W540 PolarHBondContact O-N 3.45Å
539	D	83.3	Confident	79.3	Confident	77 Å²	77	104.4 Å²	104.4	41%	0.412	52%	0.517	S	S	.	.			trans	-85	103.1	170.9	-169.7	-10.6	0	0	0	109.5	S541 K542	D539-S541 WeakPolarHBondContact OD1-CB 3.35Å; D539-S541 PolarHBondContact OD1-N 2.96Å; D539-S541 PolarHBondContact OD1-OG 3.17Å; D539-K542 WeakPolarHBondContact OD2-CD 3.37Å; D539-K542 WeakPolarHBondContact OD2-CE 3.37Å; D539-K542 WeakPolarHBondContact OD2-CG 3.4Å; D539-K542 IonicContact OD2-NZ 3.01Å; D539-K542 PolarHBondContact OD2-NZ 3.44Å
540	W	82.8	Confident	78.3	Confident	37 Å²	37	107.9 Å²	107.9	14%	0.14	53%	0.533	C	S	.	.	S	Bend	trans	-79.3	-26.6	-179.1	-67.1	100.4	0	0	0	112.6	D338 L370 K392 E393 K538 K542 R543	D338-W540 WeakPolarHBondContact OD2-CH2 3.31Å; L370-W540 HydrophobicContact CD1-CZ2 4.07Å; L370-W540 HydrophobicContact CD2-CH2 4.27Å; L370-W540 HydrophobicContact CD2-CZ2 3.8Å; L370-W540 HydrophobicContact CG-CZ2 4.31Å; K392-W540 HydrophobicContact CB-CB 4.16Å; K392-W540 HydrophobicContact CB-CD2 3.91Å; K392-W540 HydrophobicContact CB-CE3 4.39Å; K392-W540 HydrophobicContact CB-CG 3.77Å; K392-W540 HydrophobicContact CD-CD2 3.91Å; K392-W540 HydrophobicContact CD-CE3 3.66Å; K392-W540 HydrophobicContact CD-CH2 4.08Å; K392-W540 HydrophobicContact CD-CZ2 4.32Å; K392-W540 HydrophobicContact CD-CZ3 3.75Å; K392-W540 HydrophobicContact CG-CD2 3.8Å; K392-W540 HydrophobicContact CG-CE3 4.1Å; K392-W540 HydrophobicContact CG-CG 4.18Å; K392-W540 HydrophobicContact CG-CH2 4.48Å; K392-W540 HydrophobicContact CG-CZ2 4.21Å; K392-W540 HydrophobicContact CG-CZ3 4.42Å; E393-W540 HydrophobicContact CG-CB 3.95Å; K538-W540 HydrophobicContact CB-CZ2 4.33Å; K538-W540 HydrophobicContact CD-CH2 4.47Å; K538-W540 HydrophobicContact CD-CZ2 3.78Å; K538-W540 PolarHBondContact O-N 3.45Å; W540-K542 PolarHBondContact O-N 3.38Å; W540-K542 VanDerWaalsContact O-N 3.12Å; W540-R543 PolarHBondContact O-N 2.85Å; W540-R543 VanDerWaalsContact O-N 3.15Å
541	S	75	Confident	77.1	Confident	87 Å²	87	110.1 Å²	110.1	61%	0.608	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.6	-178.8	73.4	0	0	0	0	113.5	E393 D539	E393-S541 WeakPolarHBondContact OE1-CA 3.27Å; E393-S541 PolarHBondContact OE1-N 2.89Å; D539-S541 WeakPolarHBondContact OD1-CB 3.35Å; D539-S541 PolarHBondContact OD1-N 2.96Å; D539-S541 PolarHBondContact OD1-OG 3.17Å
542	K	66.9	Low	75.8	Confident	165 Å²	165	105.6 Å²	105.6	72%	0.717	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.2	-177.7	-69.4	-177.5	179.9	133	0	114.3	D539 W540 G544	D539-K542 WeakPolarHBondContact OD2-CD 3.37Å; D539-K542 WeakPolarHBondContact OD2-CE 3.37Å; D539-K542 WeakPolarHBondContact OD2-CG 3.4Å; D539-K542 IonicContact OD2-NZ 3.01Å; D539-K542 PolarHBondContact OD2-NZ 3.44Å; W540-K542 PolarHBondContact O-N 3.38Å; W540-K542 VanDerWaalsContact O-N 3.12Å; K542-G544 PolarHBondContact O-N 2.95Å
543	R	57.3	Low	74.2	Confident	166 Å²	166	111 Å²	111	63%	0.626	54%	0.541	S	S	*	.			trans	-97	70.2	-179.3	-78.5	-172.1	-179.3	-179.8	1.9	112.5	W540	W540-R543 PolarHBondContact O-N 2.85Å; W540-R543 VanDerWaalsContact O-N 3.15Å
544	G	46.2	Very low	72.4	Confident	72 Å²	72	118 Å²	118	74%	0.742	58%	0.575	S	S	*	*			trans	-110.8	8.7	171	0	0	0	0	0	115.2	K542	K542-G544 PolarHBondContact O-N 2.95Å
545	K	38.9	Very low	70.5	Confident	179 Å²	179	115.8 Å²	115.8	78%	0.778	57%	0.567	S	S	*	*			trans	-140.6	157.5	176.1	-61.8	-173.9	-179	-179	0	107.7
546	W	31.1	Very low	68.3	Low	325 Å²	325	123.9 Å²	123.9	100%	1.231	61%	0.608	S	S	*	*			trans	94	0	-173.8	-49.3	97.6	0	0	0	114.3

Retrieved 546 of 546 residues in 134.7 ms (Link to these results)

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