A0A3Q0KFL1_SCHMA Loading...

thioredoxin-disulfide reductase (NADPH)

Has a glutathione-disulfide oxidoreductase activity in the presence of NADPH and glutathione reductase. Reduces low molecular weight disulfides and proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KFL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	35.3	Very low	241 Å²	241	146.5 Å²	146.5	100%	1.187	76%	0.76	S	S	*	*				0	75.3	0	-69.3	171.4	177.9	0	0	106.6
2	S	31.5	Very low	35.3	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	77%	0.766	S	S	*	*				111.4	147.7	86.9	68.1	0	0	0	0	107.7
3	W	34.8	Very low	35.1	Very low	212 Å²	212	150.7 Å²	150.7	80%	0.803	77%	0.774	S	S	*	*			trans	82	121.8	-174.1	-51	78.4	0	0	0	112.6
4	F	35.8	Very low	35.6	Very low	130 Å²	130	157.1 Å²	157.1	57%	0.57	79%	0.786	S	S	*	*			cis	-170.3	143.4	18.3	-136.1	-142.3	0	0	0	110.8
5	R	37.5	Very low	35.6	Very low	213 Å²	213	158.5 Å²	158.5	80%	0.804	79%	0.788	S	S	*	*			trans	61.8	144.3	143.4	-70.5	-175.1	-176	-163.8	2.8	120.3
6	S	38.1	Very low	35.6	Very low	93 Å²	93	160.8 Å²	160.8	65%	0.65	79%	0.792	S	S	*	*			cis	-174.1	136	-0.1	176.3	0	0	0	0	109.7
7	L	35.6	Very low	35.6	Very low	153 Å²	153	158.9 Å²	158.9	80%	0.801	79%	0.791	S	S	*	*			trans	27.2	156	141.4	-69.6	100.4	0	0	0	121.8
8	C	34	Very low	35.6	Very low	94 Å²	94	157.7 Å²	157.7	64%	0.635	80%	0.799	S	S	*	*			cis	-179.1	132.7	-11.6	-97.9	0	0	0	0	104.5
9	I	36.3	Very low	35.6	Very low	142 Å²	142	157.7 Å²	157.7	73%	0.728	80%	0.8	S	S	*	*				67.7	135.2	91.4	-62	176.1	0	0	0	117.4
10	N	34.8	Very low	35.7	Very low	154 Å²	154	155.6 Å²	155.6	82%	0.824	80%	0.798	S	S	*	*			trans	93.8	146.9	161.4	-75.7	-18.2	0	0	0	118.6
11	A	36.4	Very low	35.8	Very low	83 Å²	83	156.6 Å²	156.6	69%	0.686	80%	0.804	S	S	*	*			cis	175.7	160.6	-21.2	0	0	0	0	0	106.9
12	S	34.6	Very low	35.8	Very low	119 Å²	119	152.8 Å²	152.8	83%	0.832	79%	0.787	S	S	*	*			trans	92.1	141	147.2	-169	0	0	0	0	121.8
13	R	33.4	Very low	35.9	Very low	229 Å²	229	154.5 Å²	154.5	86%	0.864	80%	0.798	S	S	*	*			trans	-85.5	155.8	-170.5	-63.3	169.7	167.5	-176.7	-5.1	113.6
14	Y	42.1	Very low	35.8	Very low	241 Å²	241	150.3 Å²	150.3	95%	0.945	80%	0.796	S	S	*	*			trans	-143.5	135.9	149.7	-92.3	-82.7	0	0	0	112.6
15	H	35	Very low	35.7	Very low	178 Å²	178	154.1 Å²	154.1	82%	0.824	81%	0.807	S	S	*	*			trans	-91.4	165.1	176.2	-96	-44.7	0	0	0	112.6
16	K	36.3	Very low	35.6	Very low	195 Å²	195	151.4 Å²	151.4	85%	0.848	81%	0.808	S	S	*	*			trans	117.4	102.9	153.6	-69	-179.1	175.9	-179.5	0	113.8
17	V	35.7	Very low	35.5	Very low	128 Å²	128	156.1 Å²	156.1	78%	0.776	81%	0.811	S	S	*	*				67.1	111	88.4	178.5	0	0	0	0	113.3
18	C	35	Very low	35.4	Very low	137 Å²	137	159.7 Å²	159.7	93%	0.926	81%	0.814	S	S	*	*			trans	-153	139.7	146.1	-112.3	0	0	0	0	110.8
19	L	35.2	Very low	35.3	Very low	158 Å²	158	163.3 Å²	163.3	83%	0.827	83%	0.827	S	S	*	*			trans	-75.8	171.1	-165	-106.6	87.4	0	0	0	115.6
20	P	38	Very low	35.2	Very low	116 Å²	116	165.2 Å²	165.2	75%	0.753	83%	0.833	S	S	*	*			trans	-90.3	155.9	-169.7	37.2	-33	0	0	0	113.8
21	L	37.4	Very low	35.1	Very low	177 Å²	177	163 Å²	163	93%	0.927	83%	0.83	S	S	*	*			trans	-118.3	119.2	169.4	-93.6	154.9	0	0	0	110.4
22	L	33.9	Very low	34.9	Very low	161 Å²	161	164.9 Å²	164.9	84%	0.843	83%	0.833	S	S	*	*			trans	-59.8	133.7	167.8	-78.2	135.2	0	0	0	110.9
23	C	34.3	Very low	34.8	Very low	131 Å²	131	169.7 Å²	169.7	89%	0.885	83%	0.834	S	S	*	*			trans	-142.1	98.5	153.8	-134.1	0	0	0	0	108.5
24	T	33.4	Very low	34.8	Very low	124 Å²	124	164.7 Å²	164.7	76%	0.761	83%	0.829	S	S	*	*			trans	-73.1	120.2	168.9	43.1	0	0	0	0	109.4
25	W	33.1	Very low	34.4	Very low	211 Å²	211	159.1 Å²	159.1	80%	0.799	81%	0.813	S	S	*	*			trans	-134.4	117.6	156.8	-123.8	66.6	0	0	0	110.1
26	N	35.5	Very low	34.3	Very low	155 Å²	155	155.7 Å²	155.7	83%	0.829	81%	0.807	S	S	*	*			trans	-80.8	121.7	-179.3	-143.8	-5.9	0	0	0	108.2
27	R	35.4	Very low	34.6	Very low	192 Å²	192	152.6 Å²	152.6	73%	0.725	81%	0.807	S	S	*	*			trans	-165.7	103.8	156.2	-109.3	177.8	-136.6	-147.5	6.2	112.5
28	R	34.1	Very low	35.3	Very low	229 Å²	229	148.1 Å²	148.1	86%	0.864	78%	0.783	S	S	*	*			trans	53.9	112.2	135.2	-63.2	-177.5	-170.8	-180	1.9	119.4	E30	R28-E30 PolarHBondContact O-N 3.48Å
29	N	31.3	Very low	37.3	Very low	169 Å²	169	146 Å²	146	90%	0.904	76%	0.763	S	S	*	*			trans	8.9	103.8	139.8	-75.1	-4.3	0	0	0	117.1
30	E	35.4	Very low	39.8	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	75%	0.752	S	S	*	*			trans	-128	116.5	141.9	-77.6	-174.6	170.7	0	0	107.9	R28 T32	R28-E30 PolarHBondContact O-N 3.48Å; E30-T32 PolarHBondContact O-N 3.03Å
31	S	31.2	Very low	42.4	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	72%	0.724	S	S	*	*			trans	-66.5	97.6	173.8	53.8	0	0	0	0	109.3	Y33	S31-Y33 PolarHBondContact O-N 3.13Å; S31-Y33 VanDerWaalsContact O-N 3.13Å
32	T	33.7	Very low	44.9	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	69%	0.69	S	S	*	*			trans	-71.7	101.3	162.4	49.8	0	0	0	0	107.9	E30 T34	E30-T32 PolarHBondContact O-N 3.03Å; T32-T34 VanDerWaalsContact C-N 3.29Å; T32-T34 PolarHBondContact O-N 2.9Å
33	Y	32.3	Very low	47.8	Very low	220 Å²	220	128.4 Å²	128.4	86%	0.863	68%	0.678	S	S	*	*			trans	-61.3	93.5	163.4	-106.6	-93.4	0	0	0	108.1	S31 M35	S31-Y33 PolarHBondContact O-N 3.13Å; S31-Y33 VanDerWaalsContact O-N 3.13Å; Y33-M35 PolarHBondContact O-N 3.25Å
34	T	32.3	Very low	50.7	Low	124 Å²	124	124.5 Å²	124.5	76%	0.761	65%	0.645	S	S	*	*			trans	-70.4	108.3	163.1	44	0	0	0	0	107.4	T32	T32-T34 VanDerWaalsContact C-N 3.29Å; T32-T34 PolarHBondContact O-N 2.9Å
35	M	33.6	Very low	53.7	Low	124 Å²	124	118.6 Å²	118.6	61%	0.611	61%	0.608	S	S	*	*			trans	-59.8	145.6	173.4	-66.4	-158.2	-48	0	0	110.2	Y33	Y33-M35 PolarHBondContact O-N 3.25Å
36	P	33.7	Very low	56.8	Low	106 Å²	106	113.9 Å²	113.9	69%	0.688	59%	0.591	S	S	*	*			trans	-57.2	158.8	170.5	-14.4	27.1	0	0	0	110.4	A38	P36-A38 PolarHBondContact O-N 2.92Å
37	P	41.4	Very low	59.7	Low	130 Å²	130	111.6 Å²	111.6	84%	0.844	57%	0.573	S	S	*	*			trans	-51.7	113.1	174.5	-19.1	29.4	0	0	0	109.1	D39	P37-D39 PolarHBondContact O-N 3.34Å
38	A	52	Low	62.6	Low	34 Å²	34	102.7 Å²	102.7	28%	0.281	54%	0.54	S	S	.	.			trans	-61.4	123.7	-177.7	0	0	0	0	0	108.7	P36 Q43	P36-A38 PolarHBondContact O-N 2.92Å; A38-Q43 HydrophobicContact CB-CG 3.64Å; A38-Q43 PolarHBondContact O-NE2 3.03Å
39	D	75.9	Confident	65.7	Low	93 Å²	93	91.8 Å²	91.8	50%	0.497	50%	0.499	S	S	.	.			trans	-53.5	155.4	167.2	63.4	23.7	0	0	0	110.2	P37 T41 S42 Q43	P37-D39 PolarHBondContact O-N 3.34Å; D39-T41 PolarHBondContact O-N 3.23Å; D39-S42 PolarHBondContact O-N 2.9Å; D39-S42 WeakPolarHBondContact OD1-CB 3.38Å; D39-S42 PolarHBondContact OD1-N 3.19Å; D39-S42 PolarHBondContact OD1-OG 2.68Å; D39-Q43 PolarHBondContact O-N 3.14Å
40	G	89	Confident	68.8	Low	58 Å²	58	87.7 Å²	87.7	60%	0.598	48%	0.477	S	S	*	.	H	α-helix	trans	-55.3	-29.9	-176.3	0	0	0	0	0	113.2	W44	G40-W44 WeakPolarHBondContact O-CB 3.21Å; G40-W44 PolarHBondContact O-N 2.89Å; G40-W44 VanDerWaalsContact O-N 3.08Å
41	T	90.7	Very high	71.7	Confident	28 Å²	28	79.4 Å²	79.4	17%	0.172	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-46.8	175.3	-57.6	0	0	0	0	112	D39 W44 L45 N89 I93	D39-T41 PolarHBondContact O-N 3.23Å; T41-W44 PolarHBondContact O-N 3.09Å; T41-L45 WeakPolarHBondContact O-CB 3.49Å; T41-L45 PolarHBondContact O-N 3.07Å; T41-N89 PolarHBondContact OG1-ND2 2.99Å; T41-I93 HydrophobicContact CG2-CG1 3.53Å
42	S	91.6	Very high	74.9	Confident	30 Å²	30	74.4 Å²	74.4	21%	0.21	40%	0.404	C	S	.	.	H	α-helix	trans	-69.2	-36.5	-178.6	-58.9	0	0	0	0	112	D39 L45 R46 C96	D39-S42 PolarHBondContact O-N 2.9Å; D39-S42 WeakPolarHBondContact OD1-CB 3.38Å; D39-S42 PolarHBondContact OD1-N 3.19Å; D39-S42 PolarHBondContact OD1-OG 2.68Å; S42-L45 PolarHBondContact O-N 3.07Å; S42-R46 PolarHBondContact O-N 3.47Å; S42-C96 PolarHBondContact OG-SG 3.02Å
43	Q	93.2	Very high	78	Confident	125 Å²	125	68.6 Å²	68.6	58%	0.584	37%	0.369	S	S	*	.	H	α-helix	trans	-64.8	-46.3	174.5	-64.7	-174.4	18.9	0	0	111.7	A38 D39 L45 R46 K47	A38-Q43 HydrophobicContact CB-CG 3.64Å; A38-Q43 PolarHBondContact O-NE2 3.03Å; D39-Q43 PolarHBondContact O-N 3.14Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; Q43-L45 PolarHBondContact O-N 3.34Å; Q43-R46 PolarHBondContact O-N 3.25Å; Q43-K47 PolarHBondContact O-N 3Å
44	W	96.4	Very high	81.1	Confident	50 Å²	50	58.3 Å²	58.3	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-44.3	175.5	168.9	83.3	0	0	0	111.9	G40 T41 R46 K47 T48 I82 I93 G493 T495	G40-W44 WeakPolarHBondContact O-CB 3.21Å; G40-W44 PolarHBondContact O-N 2.89Å; G40-W44 VanDerWaalsContact O-N 3.08Å; T41-W44 PolarHBondContact O-N 3.09Å; W44-R46 PolarHBondContact O-N 3.13Å; W44-K47 PolarHBondContact O-N 2.61Å; W44-T48 WeakPolarHBondContact O-CB 3.17Å; W44-T48 PolarHBondContact O-N 3.27Å; W44-T48 PolarHBondContact O-OG1 3.26Å; W44-I82 HydrophobicContact CH2-CD1 3.64Å; W44-I82 HydrophobicContact CH2-CG2 4.44Å; W44-I82 HydrophobicContact CZ2-CD1 3.79Å; W44-I93 HydrophobicContact CE3-CD1 4.28Å; W44-I93 HydrophobicContact CE3-CG1 4.48Å; W44-I93 HydrophobicContact CH2-CD1 4.06Å; W44-I93 HydrophobicContact CZ3-CD1 3.55Å; W44-I93 HydrophobicContact CZ3-CG1 3.94Å; W44-I93 HydrophobicContact CZ3-CG2 4.11Å; W44-G493 VanDerWaalsContact CZ2-O 3.3Å; W44-G493 WeakPolarHBondContact CZ2-O 3.31Å; W44-G493 PolarHBondContact NE1-O 2.93Å; W44-T495 VanDerWaalsContact CD1-CG2 3.48Å
45	L	96.7	Very high	84.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-43.9	-179.3	-177.4	59	0	0	0	111.2	T41 S42 Q43 T48 V49 F57 I93 C96 L97 F100	T41-L45 WeakPolarHBondContact O-CB 3.49Å; T41-L45 PolarHBondContact O-N 3.07Å; S42-L45 PolarHBondContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; Q43-L45 PolarHBondContact O-N 3.34Å; L45-T48 PolarHBondContact O-N 2.79Å; L45-V49 HydrophobicContact CD1-CG2 4.13Å; L45-V49 HydrophobicContact CG-CG2 4.5Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 2.98Å; L45-F57 HydrophobicContact CD1-CE1 3.66Å; L45-F57 HydrophobicContact CD1-CE2 4.42Å; L45-F57 HydrophobicContact CD1-CZ 3.47Å; L45-F57 VanDerWaalsContact CD1-CZ 3.47Å; L45-I93 HydrophobicContact CD1-CG2 4.2Å; L45-I93 HydrophobicContact CD2-CG2 4.48Å; L45-C96 HydrophobicContact CD2-CB 3.82Å; L45-L97 HydrophobicContact CD1-CD2 3.9Å; L45-L97 HydrophobicContact CD2-CD2 4.13Å; L45-L97 HydrophobicContact CD2-CG 4.21Å; L45-F100 HydrophobicContact CD2-CD2 4.19Å; L45-F100 HydrophobicContact CD2-CE2 3.8Å; L45-F100 HydrophobicContact CG-CD2 4.43Å; L45-F100 HydrophobicContact CG-CE2 3.81Å; L45-F100 HydrophobicContact CG-CZ 4.46Å
46	R	96.8	Very high	87.4	Confident	112 Å²	112	46.6 Å²	46.6	42%	0.423	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-50.7	175.2	-176.7	173.5	-69.6	-87.6	-0.5	112.1	S42 Q43 W44 T48 V49 D50 F100	S42-R46 PolarHBondContact O-N 3.47Å; Q43-R46 PolarHBondContact O-N 3.25Å; W44-R46 PolarHBondContact O-N 3.13Å; R46-T48 PolarHBondContact O-N 3.08Å; R46-V49 PolarHBondContact O-N 2.64Å; R46-D50 WeakPolarHBondContact CG-OD2 3.41Å; R46-D50 WeakPolarHBondContact O-CB 3.39Å; R46-D50 VanDerWaalsContact O-CG 3.28Å; R46-D50 PolarHBondContact O-N 3.05Å; R46-F100 HydrophobicContact CB-CZ 3.99Å; R46-F100 HydrophobicContact CG-CZ 4.42Å
47	K	96.3	Very high	90.5	Very high	106 Å²	106	41.5 Å²	41.5	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-57	-39.7	177.6	-173.5	175.2	-179.7	176.3	0	111.3	Q43 W44 S51 D454	Q43-K47 PolarHBondContact O-N 3Å; W44-K47 PolarHBondContact O-N 2.61Å; K47-S51 WeakPolarHBondContact O-CB 3.41Å; K47-S51 PolarHBondContact O-N 3.35Å; K47-D454 IonicContact NZ-OD2 2.76Å; K47-D454 PolarHBondContact NZ-OD2 3.17Å; K47-D454 VanDerWaalsContact NZ-OD2 3.16Å
48	T	97.8	Very high	93.2	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-51.2	179.2	-61	0	0	0	0	111.9	W44 L45 R46 S51 A52 I55 F57 I82	W44-T48 WeakPolarHBondContact O-CB 3.17Å; W44-T48 PolarHBondContact O-N 3.27Å; W44-T48 PolarHBondContact O-OG1 3.26Å; L45-T48 PolarHBondContact O-N 2.79Å; R46-T48 PolarHBondContact O-N 3.08Å; T48-S51 PolarHBondContact O-N 2.93Å; T48-A52 VanDerWaalsContact O-CB 3.25Å; T48-A52 WeakPolarHBondContact O-CB 3.37Å; T48-A52 PolarHBondContact O-N 3.28Å; T48-I55 HydrophobicContact CG2-CD1 3.54Å; T48-F57 HydrophobicContact CG2-CZ 4.48Å; T48-I82 HydrophobicContact CG2-CD1 4.11Å
49	V	97.5	Very high	95.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-43.2	-179.1	170.3	0	0	0	0	111.3	L45 R46 S51 F57 F100 F110 G113	L45-V49 HydrophobicContact CD1-CG2 4.13Å; L45-V49 HydrophobicContact CG-CG2 4.5Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 2.98Å; R46-V49 PolarHBondContact O-N 2.64Å; V49-S51 VanDerWaalsContact C-N 3.34Å; V49-S51 PolarHBondContact O-N 2.9Å; V49-F57 HydrophobicContact CG2-CE2 4.09Å; V49-F57 HydrophobicContact CG2-CZ 4.13Å; V49-F100 HydrophobicContact CB-CD1 4.38Å; V49-F100 HydrophobicContact CB-CE1 4.21Å; V49-F100 HydrophobicContact CG1-CD1 3.91Å; V49-F100 HydrophobicContact CG1-CE1 4.13Å; V49-F110 HydrophobicContact CG1-CD1 3.66Å; V49-F110 HydrophobicContact CG1-CE1 3.98Å; V49-F110 HydrophobicContact CG1-CG 4.41Å; V49-F110 HydrophobicContact CG2-CD1 4.42Å; V49-F110 HydrophobicContact CG2-CE1 4.46Å; V49-G113 WeakPolarHBondContact O-CA 3.37Å; V49-G113 PolarHBondContact O-N 3.3Å; V49-G113 VanDerWaalsContact O-N 3.08Å
50	D	96.7	Very high	96.5	Very high	82 Å²	82	35.2 Å²	35.2	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-71.8	-25.7	-177.1	-68.4	-18.8	0	0	0	113.4	R46	R46-D50 WeakPolarHBondContact CG-OD2 3.41Å; R46-D50 WeakPolarHBondContact O-CB 3.39Å; R46-D50 VanDerWaalsContact O-CG 3.28Å; R46-D50 PolarHBondContact O-N 3.05Å
51	S	97.7	Very high	96.9	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-98.6	-34.5	-175.5	-172	0	0	0	0	113.7	K47 T48 V49 L490	K47-S51 WeakPolarHBondContact O-CB 3.41Å; K47-S51 PolarHBondContact O-N 3.35Å; T48-S51 PolarHBondContact O-N 2.93Å; V49-S51 VanDerWaalsContact C-N 3.34Å; V49-S51 PolarHBondContact O-N 2.9Å; S51-L490 CarbonylContact C-O 3.48Å; S51-L490 VanDerWaalsContact CB-O 3.26Å; S51-L490 WeakPolarHBondContact CB-O 3.33Å; S51-L490 PolarHBondContact OG-O 3.36Å
52	A	98	Very high	97.2	Very high	2 Å²	2	38 Å²	38	2%	0.017	19%	0.192	C	C	.	.			trans	-68.3	139.1	-173.9	0	0	0	0	0	112.4	T48 I55 R112	T48-A52 VanDerWaalsContact O-CB 3.25Å; T48-A52 WeakPolarHBondContact O-CB 3.37Å; T48-A52 PolarHBondContact O-N 3.28Å; A52-I55 HydrophobicContact CB-CB 3.87Å; A52-I55 HydrophobicContact CB-CD1 4.15Å; A52-I55 HydrophobicContact CB-CG2 3.88Å; A52-R112 WeakPolarHBondContact O-CA 3.15Å; A52-R112 PolarHBondContact O-N 3.08Å
53	A	98.2	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-71.7	-56.9	178.1	0	0	0	0	0	110.9	V111 R112 D143 A165 F491	A53-V111 CarbonylContact O-C 3.55Å; A53-V111 VanDerWaalsContact O-CA 3.26Å; A53-V111 WeakPolarHBondContact O-CA 3.48Å; A53-R112 PolarHBondContact O-N 3.5Å; A53-D143 HydrophobicContact CB-CB 4.35Å; A53-A165 VanDerWaalsContact CB-CA 3.49Å; A53-A165 HydrophobicContact CB-CB 4.04Å; A53-F491 HydrophobicContact CB-CD1 4.43Å
54	V	98.5	Very high	97.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	119.9	173.9	-172.5	0	0	0	0	108.3	I77 H79 A80 M109 F110 V111 V135	V54-I77 HydrophobicContact CG1-CG2 4.43Å; V54-H79 HydrophobicContact CB-CB 4.03Å; V54-H79 HydrophobicContact CG1-CB 3.64Å; V54-H79 WeakPolarHBondContact O-CA 3.19Å; V54-A80 PolarHBondContact O-N 3.4Å; V54-M109 HydrophobicContact CG1-CE 3.66Å; V54-F110 WeakPolarHBondContact CA-O 3.35Å; V54-V111 HydrophobicContact CG1-CG2 4.28Å; V54-V111 HydrophobicContact CG2-CG2 4.34Å; V54-V135 HydrophobicContact CG2-CB 4.34Å
55	I	98.7	Very high	97.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.7	-178	-166.4	164.7	0	0	0	112	T48 A52 F57 A80 I82 F110	T48-I55 HydrophobicContact CG2-CD1 3.54Å; A52-I55 HydrophobicContact CB-CB 3.87Å; A52-I55 HydrophobicContact CB-CD1 4.15Å; A52-I55 HydrophobicContact CB-CG2 3.88Å; I55-F57 HydrophobicContact CG2-CE2 4.24Å; I55-A80 HydrophobicContact CB-CB 4.34Å; I55-A80 HydrophobicContact CD1-CB 4.19Å; I55-A80 HydrophobicContact CG1-CB 3.89Å; I55-I82 HydrophobicContact CD1-CD1 3.77Å; I55-I82 HydrophobicContact CD1-CG1 4.09Å; I55-F110 HydrophobicContact CG2-CB 3.77Å; I55-F110 PolarHBondContact N-O 2.96Å; I55-F110 PolarHBondContact O-N 2.89Å
56	L	98.7	Very high	97.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116	-180	-171.5	70.4	0	0	0	110.3	V68 K69 L72 A80 T81 I82 P107 M109	L56-V68 HydrophobicContact CD1-CG1 3.86Å; L56-V68 HydrophobicContact CD2-CG1 4.12Å; L56-K69 HydrophobicContact CD2-CG 3.68Å; L56-L72 HydrophobicContact CD2-CD1 4.38Å; L56-A80 PolarHBondContact N-O 3.19Å; L56-T81 WeakPolarHBondContact O-CA 3.46Å; L56-I82 PolarHBondContact O-N 3.25Å; L56-P107 HydrophobicContact CD1-CB 3.83Å; L56-P107 HydrophobicContact CG-CB 4.35Å; L56-M109 HydrophobicContact CD1-CB 3.97Å
57	F	98.7	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.7	167.4	-65.3	-87.1	0	0	0	109.1	L45 T48 V49 I55 I82 L84 I93 L97 P107 Q108 F110	L45-F57 HydrophobicContact CD1-CE1 3.66Å; L45-F57 HydrophobicContact CD1-CE2 4.42Å; L45-F57 HydrophobicContact CD1-CZ 3.47Å; L45-F57 VanDerWaalsContact CD1-CZ 3.47Å; T48-F57 HydrophobicContact CG2-CZ 4.48Å; V49-F57 HydrophobicContact CG2-CE2 4.09Å; V49-F57 HydrophobicContact CG2-CZ 4.13Å; I55-F57 HydrophobicContact CG2-CE2 4.24Å; F57-I82 HydrophobicContact CD1-CB 4.12Å; F57-I82 HydrophobicContact CD1-CG2 4.42Å; F57-I82 HydrophobicContact CE1-CB 4.37Å; F57-I82 HydrophobicContact CE1-CD1 3.94Å; F57-L84 HydrophobicContact CD1-CD2 4.22Å; F57-I93 HydrophobicContact CE1-CG2 4.41Å; F57-L97 HydrophobicContact CB-CD1 3.83Å; F57-L97 HydrophobicContact CD1-CD1 4.01Å; F57-L97 HydrophobicContact CD1-CD2 4.2Å; F57-L97 HydrophobicContact CD2-CD1 4.32Å; F57-L97 HydrophobicContact CD2-CD2 3.73Å; F57-L97 HydrophobicContact CE1-CD2 4.2Å; F57-L97 HydrophobicContact CE2-CD2 3.74Å; F57-L97 HydrophobicContact CG-CD1 3.79Å; F57-L97 HydrophobicContact CG-CD2 3.96Å; F57-L97 HydrophobicContact CZ-CD2 3.98Å; F57-P107 CarbonylContact O-C 3.5Å; F57-P107 WeakPolarHBondContact O-CA 3.22Å; F57-Q108 HydrophobicContact CB-CB 4.39Å; F57-Q108 PolarHBondContact N-O 3.01Å; F57-Q108 PolarHBondContact O-N 3.16Å; F57-F110 AromaticContact CD2-CD2 3.74Å; F57-F110 HydrophobicContact CD2-CD2 3.74Å; F57-F110 AromaticContact CD2-CE2 3.76Å; F57-F110 HydrophobicContact CD2-CE2 3.76Å; F57-F110 AromaticContact CE2-CD2 3.76Å; F57-F110 HydrophobicContact CE2-CD2 3.76Å; F57-F110 AromaticContact CE2-CE2 3.89Å; F57-F110 HydrophobicContact CE2-CE2 3.89Å
58	S	98.6	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	172.1	-163.3	169.1	0	0	0	0	111.7	C65 K69 I82 E83 L84	S58-C65 WeakPolarHBondContact OG-CB 3.37Å; S58-K69 WeakPolarHBondContact OG-CE 3.44Å; S58-K69 PolarHBondContact OG-NZ 3.49Å; S58-I82 PolarHBondContact N-O 3.34Å; S58-E83 WeakPolarHBondContact CB-OE2 3.2Å; S58-E83 PolarHBondContact OG-OE2 3.44Å; S58-L84 PolarHBondContact O-N 3.33Å
59	K	98.6	Very high	98.1	Very high	57 Å²	57	41.8 Å²	41.8	25%	0.248	21%	0.214	C	C	.	.			trans	-131.4	142.6	159.3	-70.8	-177.8	-178.1	-177.9	0	109.9	T61 C62 E83 L84 D85 V106	K59-T61 PolarHBondContact O-N 3.33Å; K59-C62 HydrophobicContact CB-CB 4.17Å; K59-C62 PolarHBondContact O-N 2.92Å; K59-E83 VanDerWaalsContact C-OE2 3.24Å; K59-E83 WeakPolarHBondContact CA-OE2 3.49Å; K59-E83 PolarHBondContact N-OE2 2.92Å; K59-L84 HydrophobicContact CG-CB 4.26Å; K59-D85 WeakPolarHBondContact CA-OD1 3.33Å; K59-D85 HydrophobicContact CB-CB 4.46Å; K59-D85 HydrophobicContact CG-CB 4.26Å; K59-V106 HydrophobicContact CB-CG2 4.36Å; K59-V106 HydrophobicContact CD-CG2 4.14Å; K59-V106 HydrophobicContact CG-CG2 4.07Å
60	T	97.8	Very high	98.2	Very high	68 Å²	68	45.3 Å²	45.3	42%	0.417	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.3	-175.7	67.8	0	0	0	0	113.2	E83 D85 Q86	T60-E83 HydrophobicContact CG2-CB 3.84Å; T60-E83 HydrophobicContact CG2-CG 3.73Å; T60-E83 PolarHBondContact N-OE2 3.49Å; T60-D85 WeakPolarHBondContact CB-OD2 3.28Å; T60-D85 PolarHBondContact N-OD1 3.12Å; T60-D85 PolarHBondContact N-OD2 2.92Å; T60-D85 PolarHBondContact OG1-OD2 3.2Å; T60-Q86 HydrophobicContact CG2-CG 4.25Å
61	T	97.4	Very high	98.2	Very high	120 Å²	120	42.1 Å²	42.1	74%	0.736	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	8.4	-176.5	50.4	0	0	0	0	114.1	K59	K59-T61 PolarHBondContact O-N 3.33Å
62	C	98	Very high	98.3	Very high	24 Å²	24	41.6 Å²	41.6	16%	0.162	21%	0.212	C	C	.	.			trans	-95.2	117.6	-180	179.3	0	0	0	0	112	K59 Y64 C65 K66 V106	K59-C62 HydrophobicContact CB-CB 4.17Å; K59-C62 PolarHBondContact O-N 2.92Å; C62-Y64 VanDerWaalsContact C-N 3.32Å; C62-Y64 PolarHBondContact O-N 3.27Å; C62-C65 HydrophobicContact CB-CB 3.84Å; C62-C65 VanDerWaalsContact CB-SG 3.51Å; C62-C65 WeakPolarHBondContact O-CB 3.39Å; C62-C65 PolarHBondContact O-N 3.31Å; C62-C65 VanDerWaalsContact O-N 3.1Å; C62-K66 PolarHBondContact O-N 3.34Å; C62-K66 VanDerWaalsContact O-N 3.08Å; C62-V106 HydrophobicContact CB-CG2 4.45Å
63	P	97.9	Very high	98.2	Very high	96 Å²	96	44.5 Å²	44.5	62%	0.623	24%	0.236	S	C	*	.	H	α-helix	trans	-65.6	-31.6	-179.3	25	-33.8	0	0	0	113.3	C65 K66 K67	P63-C65 VanDerWaalsContact C-N 3.35Å; P63-K66 PolarHBondContact O-N 3.06Å; P63-K67 PolarHBondContact O-N 2.97Å
64	Y	98.2	Very high	98.2	Very high	141 Å²	141	50.9 Å²	50.9	55%	0.553	27%	0.266	S	S	*	.	H	α-helix	trans	-67.5	-35.5	173.6	-68.5	-77.5	0	0	0	112.1	C62 K67 V68	C62-Y64 VanDerWaalsContact C-N 3.32Å; C62-Y64 PolarHBondContact O-N 3.27Å; Y64-K67 PolarHBondContact O-N 3.31Å; Y64-V68 PolarHBondContact O-N 2.92Å; Y64-V68 VanDerWaalsContact O-N 3.13Å
65	C	98.5	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-45.3	173.3	-66.4	0	0	0	0	110.8	S58 C62 P63 K67 V68 K69 P107	S58-C65 WeakPolarHBondContact OG-CB 3.37Å; C62-C65 HydrophobicContact CB-CB 3.84Å; C62-C65 VanDerWaalsContact CB-SG 3.51Å; C62-C65 WeakPolarHBondContact O-CB 3.39Å; C62-C65 PolarHBondContact O-N 3.31Å; C62-C65 VanDerWaalsContact O-N 3.1Å; P63-C65 VanDerWaalsContact C-N 3.35Å; C65-K67 VanDerWaalsContact C-N 3.33Å; C65-K67 PolarHBondContact O-N 2.93Å; C65-V68 PolarHBondContact O-N 2.86Å; C65-K69 WeakPolarHBondContact O-CG 3.41Å; C65-K69 PolarHBondContact O-N 3.45Å; C65-P107 HydrophobicContact CB-CB 4.38Å
66	K	98.4	Very high	98.1	Very high	120 Å²	120	61 Å²	61	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-47	175.1	-169.4	-166.6	178.2	-52.2	0	111.2	C62 P63 V68 K69 D70	C62-K66 PolarHBondContact O-N 3.34Å; C62-K66 VanDerWaalsContact O-N 3.08Å; P63-K66 PolarHBondContact O-N 3.06Å; K66-V68 VanDerWaalsContact C-N 3.34Å; K66-V68 PolarHBondContact O-N 2.77Å; K66-K69 WeakPolarHBondContact O-CB 3.42Å; K66-K69 PolarHBondContact O-N 3.41Å; K66-K69 VanDerWaalsContact O-N 3.13Å; K66-D70 IonicContact NZ-OD1 3.75Å; K66-D70 PolarHBondContact NZ-OD1 2.93Å; K66-D70 IonicContact NZ-OD2 3.99Å; K66-D70 PolarHBondContact NZ-OD2 3.22Å; K66-D70 PolarHBondContact O-N 2.95Å
67	K	98	Very high	98	Very high	107 Å²	107	61.7 Å²	61.7	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-42.7	179.8	-165.9	177.2	-64.7	-175.4	0	112.5	P63 Y64 C65 D70 V71 L123	P63-K67 PolarHBondContact O-N 2.97Å; Y64-K67 PolarHBondContact O-N 3.31Å; C65-K67 VanDerWaalsContact C-N 3.33Å; C65-K67 PolarHBondContact O-N 2.93Å; K67-D70 PolarHBondContact O-N 2.85Å; K67-V71 WeakPolarHBondContact O-CG2 3.38Å; K67-V71 PolarHBondContact O-N 3.28Å; K67-V71 VanDerWaalsContact O-N 3.07Å; K67-L123 HydrophobicContact CD-CD2 3.6Å; K67-L123 HydrophobicContact CG-CD1 4.41Å; K67-L123 HydrophobicContact CG-CD2 4.23Å
68	V	98.5	Very high	98	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.6	172.4	0	0	0	0	111.6	L56 Y64 C65 K66 D70 V71 L72 P107 V122 L123	L56-V68 HydrophobicContact CD1-CG1 3.86Å; L56-V68 HydrophobicContact CD2-CG1 4.12Å; Y64-V68 PolarHBondContact O-N 2.92Å; Y64-V68 VanDerWaalsContact O-N 3.13Å; C65-V68 PolarHBondContact O-N 2.86Å; K66-V68 VanDerWaalsContact C-N 3.34Å; K66-V68 PolarHBondContact O-N 2.77Å; V68-D70 PolarHBondContact O-N 3.08Å; V68-V71 PolarHBondContact O-N 3.44Å; V68-L72 HydrophobicContact CG1-CD1 3.89Å; V68-L72 HydrophobicContact CG1-CG 4.31Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.47Å; V68-P107 HydrophobicContact CB-CG 4.11Å; V68-P107 HydrophobicContact CG2-CG 3.62Å; V68-V122 HydrophobicContact CG1-CG1 4.03Å; V68-L123 HydrophobicContact CG2-CD1 3.96Å
69	K	98.6	Very high	98	Very high	44 Å²	44	66.4 Å²	66.4	19%	0.191	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-43.1	176.1	-68.3	168.1	-173.2	174.8	0	112.2	L56 S58 C65 K66 L72 A73 E83	L56-K69 HydrophobicContact CD2-CG 3.68Å; S58-K69 WeakPolarHBondContact OG-CE 3.44Å; S58-K69 PolarHBondContact OG-NZ 3.49Å; C65-K69 WeakPolarHBondContact O-CG 3.41Å; C65-K69 PolarHBondContact O-N 3.45Å; K66-K69 WeakPolarHBondContact O-CB 3.42Å; K66-K69 PolarHBondContact O-N 3.41Å; K66-K69 VanDerWaalsContact O-N 3.13Å; K69-L72 PolarHBondContact O-N 3.33Å; K69-A73 WeakPolarHBondContact O-CB 3.37Å; K69-A73 PolarHBondContact O-N 2.73Å; K69-E83 VanDerWaalsContact NZ-CD 3.31Å; K69-E83 IonicContact NZ-OE1 2.79Å; K69-E83 PolarHBondContact NZ-OE1 3.02Å; K69-E83 IonicContact NZ-OE2 2.83Å; K69-E83 PolarHBondContact NZ-OE2 2.81Å
70	D	98.3	Very high	98	Very high	75 Å²	75	63.8 Å²	63.8	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-45.9	177.4	-62.9	-25.8	0	0	0	110.4	K66 K67 V68 A73 E74	K66-D70 IonicContact NZ-OD1 3.75Å; K66-D70 PolarHBondContact NZ-OD1 2.93Å; K66-D70 IonicContact NZ-OD2 3.99Å; K66-D70 PolarHBondContact NZ-OD2 3.22Å; K66-D70 PolarHBondContact O-N 2.95Å; K67-D70 PolarHBondContact O-N 2.85Å; V68-D70 PolarHBondContact O-N 3.08Å; D70-A73 PolarHBondContact O-N 3.23Å; D70-E74 WeakPolarHBondContact O-CB 3.19Å; D70-E74 PolarHBondContact O-N 3.09Å
71	V	97.8	Very high	98	Very high	14 Å²	14	63 Å²	63	9%	0.085	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-46.2	175.9	163.9	0	0	0	0	112.1	K67 V68 A73 E74 A75 L123 Y126 L131	K67-V71 WeakPolarHBondContact O-CG2 3.38Å; K67-V71 PolarHBondContact O-N 3.28Å; K67-V71 VanDerWaalsContact O-N 3.07Å; V68-V71 PolarHBondContact O-N 3.44Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.39Å; V71-E74 PolarHBondContact O-N 2.94Å; V71-A75 WeakPolarHBondContact O-CB 3.45Å; V71-A75 PolarHBondContact O-N 3.48Å; V71-L123 HydrophobicContact CG2-CD1 4.33Å; V71-L123 HydrophobicContact CG2-CG 4.48Å; V71-Y126 HydrophobicContact CB-CD1 4.43Å; V71-Y126 HydrophobicContact CG1-CD1 3.64Å; V71-Y126 HydrophobicContact CG1-CD2 3.62Å; V71-Y126 HydrophobicContact CG1-CE1 4.18Å; V71-Y126 HydrophobicContact CG1-CE2 4.17Å; V71-Y126 HydrophobicContact CG1-CG 3.32Å; V71-Y126 HydrophobicContact CG2-CD1 4.03Å; V71-Y126 HydrophobicContact CG2-CE1 4.29Å; V71-L131 HydrophobicContact CG1-CD2 4.22Å
72	L	98.2	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-39	178.1	-67.4	170.7	0	0	0	111.5	L56 V68 K69 K76 I77 M109 L131	L56-L72 HydrophobicContact CD2-CD1 4.38Å; V68-L72 HydrophobicContact CG1-CD1 3.89Å; V68-L72 HydrophobicContact CG1-CG 4.31Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.47Å; K69-L72 PolarHBondContact O-N 3.33Å; L72-K76 PolarHBondContact O-N 2.83Å; L72-K76 VanDerWaalsContact O-N 3.17Å; L72-I77 HydrophobicContact CB-CB 4.39Å; L72-I77 HydrophobicContact CD2-CB 3.98Å; L72-I77 HydrophobicContact CD2-CD1 4.1Å; L72-I77 HydrophobicContact CD2-CG2 3.86Å; L72-I77 PolarHBondContact O-N 2.63Å; L72-M109 HydrophobicContact CD2-CE 3.78Å; L72-M109 HydrophobicContact CD2-SD 4.12Å; L72-L131 HydrophobicContact CD2-CD2 4.08Å
73	A	97.6	Very high	98.1	Very high	63 Å²	63	58.6 Å²	58.6	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-40.4	176.7	0	0	0	0	0	112.7	K69 D70 V71 K76	K69-A73 WeakPolarHBondContact O-CB 3.37Å; K69-A73 PolarHBondContact O-N 2.73Å; D70-A73 PolarHBondContact O-N 3.23Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.39Å; A73-K76 PolarHBondContact O-N 3.23Å
74	E	97.7	Very high	98.1	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-46.1	175	-167.3	180	150.4	0	0	110.9	D70 V71 K76 Y126	D70-E74 WeakPolarHBondContact O-CB 3.19Å; D70-E74 PolarHBondContact O-N 3.09Å; V71-E74 PolarHBondContact O-N 2.94Å; E74-K76 PolarHBondContact O-N 2.94Å; E74-K76 VanDerWaalsContact O-N 3.13Å; E74-Y126 WeakPolarHBondContact CG-OH 3.3Å; E74-Y126 PolarHBondContact OE1-OH 3.07Å
75	A	96.9	Very high	98.1	Very high	37 Å²	37	50.8 Å²	50.8	31%	0.306	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-0.2	175.5	0	0	0	0	0	114.5	V71 I77 Y126	V71-A75 WeakPolarHBondContact O-CB 3.45Å; V71-A75 PolarHBondContact O-N 3.48Å; A75-I77 HydrophobicContact CB-CD1 3.84Å; A75-I77 HydrophobicContact CB-CG1 3.91Å; A75-I77 PolarHBondContact O-N 2.99Å; A75-Y126 HydrophobicContact CB-CD2 4.23Å; A75-Y126 HydrophobicContact CB-CE2 3.85Å
76	K	96.9	Very high	98	Very high	180 Å²	180	57.4 Å²	57.4	78%	0.783	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	29.7	-175.2	-54.6	-61.6	-178.2	-171.8	0	114.1	L72 A73 E74 K78	L72-K76 PolarHBondContact O-N 2.83Å; L72-K76 VanDerWaalsContact O-N 3.17Å; A73-K76 PolarHBondContact O-N 3.23Å; E74-K76 PolarHBondContact O-N 2.94Å; E74-K76 VanDerWaalsContact O-N 3.13Å; K76-K78 PolarHBondContact O-N 3.29Å
77	I	97.9	Very high	97.9	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.087	28%	0.279	C	S	.	.			trans	-89.1	108	176.9	-61.6	174.8	0	0	0	108.8	V54 L72 A75 L131 V135	V54-I77 HydrophobicContact CG1-CG2 4.43Å; L72-I77 HydrophobicContact CB-CB 4.39Å; L72-I77 HydrophobicContact CD2-CB 3.98Å; L72-I77 HydrophobicContact CD2-CD1 4.1Å; L72-I77 HydrophobicContact CD2-CG2 3.86Å; L72-I77 PolarHBondContact O-N 2.63Å; A75-I77 HydrophobicContact CB-CD1 3.84Å; A75-I77 HydrophobicContact CB-CG1 3.91Å; A75-I77 PolarHBondContact O-N 2.99Å; I77-L131 HydrophobicContact CD1-CB 4.43Å; I77-L131 HydrophobicContact CD1-CD2 3.62Å; I77-L131 HydrophobicContact CD1-CG 3.53Å; I77-V135 HydrophobicContact CD1-CG1 4.13Å; I77-V135 HydrophobicContact CD1-CG2 3.98Å; I77-V135 HydrophobicContact CG1-CG2 4.17Å; I77-V135 HydrophobicContact CG2-CB 4.43Å; I77-V135 HydrophobicContact CG2-CG1 4.02Å; I77-V135 HydrophobicContact CG2-CG2 4.3Å
78	K	98.2	Very high	97.8	Very high	65 Å²	65	56.2 Å²	56.2	28%	0.283	30%	0.302	S	S	.	.			trans	-74.8	139.9	173.3	-66.7	179.1	-71.5	173.4	0	109.9	K76 A161 G164 N253 Q254	K76-K78 PolarHBondContact O-N 3.29Å; K78-A161 WeakPolarHBondContact CD-O 3.14Å; K78-A161 VanDerWaalsContact CE-O 3.31Å; K78-A161 WeakPolarHBondContact CE-O 3.48Å; K78-A161 PolarHBondContact NZ-O 3.13Å; K78-G164 WeakPolarHBondContact O-CA 3.33Å; K78-N253 PolarHBondContact NZ-O 3.35Å; K78-Q254 VanDerWaalsContact CE-OE1 3.28Å
79	H	98.7	Very high	97.6	Very high	34 Å²	34	59 Å²	59	16%	0.157	32%	0.317	C	S	.	.			trans	-154	156.9	-178.6	66.6	94.3	0	0	0	111.6	V54 T81	V54-H79 HydrophobicContact CB-CB 4.03Å; V54-H79 HydrophobicContact CG1-CB 3.64Å; V54-H79 WeakPolarHBondContact O-CA 3.19Å; H79-T81 PolarHBondContact CE1-OG1 3.06Å; H79-T81 PolarHBondContact ND1-OG1 3.04Å
80	A	98.6	Very high	97.5	Very high	1 Å²	1	57 Å²	57	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	154.1	162.3	0	0	0	0	0	111.2	V54 I55 L56 Y163 F491 A492	V54-A80 PolarHBondContact O-N 3.4Å; I55-A80 HydrophobicContact CB-CB 4.34Å; I55-A80 HydrophobicContact CD1-CB 4.19Å; I55-A80 HydrophobicContact CG1-CB 3.89Å; L56-A80 PolarHBondContact N-O 3.19Å; A80-Y163 HydrophobicContact CB-CD1 4.01Å; A80-Y163 HydrophobicContact CB-CG 4.4Å; A80-F491 VanDerWaalsContact CB-O 3.26Å; A80-F491 WeakPolarHBondContact CB-O 3.27Å; A80-A492 HydrophobicContact CB-CB 4.01Å
81	T	98.6	Very high	97.4	Very high	53 Å²	53	57.9 Å²	57.9	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133	174.7	-55.8	0	0	0	0	109.7	L56 H79 E83	L56-T81 WeakPolarHBondContact O-CA 3.46Å; H79-T81 PolarHBondContact CE1-OG1 3.06Å; H79-T81 PolarHBondContact ND1-OG1 3.04Å; T81-E83 HydrophobicContact CG2-CG 4.32Å; T81-E83 VanDerWaalsContact CG2-OE1 3.27Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.47Å
82	I	98.5	Very high	97.3	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.072	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.1	171.8	-60.2	-173.1	0	0	0	108.3	W44 T48 I55 L56 F57 S58 L84 L87	W44-I82 HydrophobicContact CH2-CD1 3.64Å; W44-I82 HydrophobicContact CH2-CG2 4.44Å; W44-I82 HydrophobicContact CZ2-CD1 3.79Å; T48-I82 HydrophobicContact CG2-CD1 4.11Å; I55-I82 HydrophobicContact CD1-CD1 3.77Å; I55-I82 HydrophobicContact CD1-CG1 4.09Å; L56-I82 PolarHBondContact O-N 3.25Å; F57-I82 HydrophobicContact CD1-CB 4.12Å; F57-I82 HydrophobicContact CD1-CG2 4.42Å; F57-I82 HydrophobicContact CE1-CB 4.37Å; F57-I82 HydrophobicContact CE1-CD1 3.94Å; S58-I82 PolarHBondContact N-O 3.34Å; I82-L84 HydrophobicContact CG2-CD2 4.09Å; I82-L84 PolarHBondContact O-N 3.34Å; I82-L87 HydrophobicContact CG2-CD1 3.57Å
83	E	98.4	Very high	97.2	Very high	37 Å²	37	59.5 Å²	59.5	17%	0.173	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	100.2	177.7	-53	-65.7	-177.6	0	0	109.6	S58 K59 T60 K69 T81 D85 Q86	S58-E83 WeakPolarHBondContact CB-OE2 3.2Å; S58-E83 PolarHBondContact OG-OE2 3.44Å; K59-E83 VanDerWaalsContact C-OE2 3.24Å; K59-E83 WeakPolarHBondContact CA-OE2 3.49Å; K59-E83 PolarHBondContact N-OE2 2.92Å; T60-E83 HydrophobicContact CG2-CB 3.84Å; T60-E83 HydrophobicContact CG2-CG 3.73Å; T60-E83 PolarHBondContact N-OE2 3.49Å; K69-E83 VanDerWaalsContact NZ-CD 3.31Å; K69-E83 IonicContact NZ-OE1 2.79Å; K69-E83 PolarHBondContact NZ-OE1 3.02Å; K69-E83 IonicContact NZ-OE2 2.83Å; K69-E83 PolarHBondContact NZ-OE2 2.81Å; T81-E83 HydrophobicContact CG2-CG 4.32Å; T81-E83 VanDerWaalsContact CG2-OE1 3.27Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.47Å; E83-D85 PolarHBondContact O-N 2.85Å; E83-Q86 HydrophobicContact CB-CB 4.36Å; E83-Q86 HydrophobicContact CB-CG 4.12Å; E83-Q86 PolarHBondContact O-N 3.14Å
84	L	97.9	Very high	97.2	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-63.3	-26.4	-172.6	-61.2	179.6	0	0	0	112.8	F57 S58 K59 I82 Q86 L87 G90 I93 Q94 L97 V106	F57-L84 HydrophobicContact CD1-CD2 4.22Å; S58-L84 PolarHBondContact O-N 3.33Å; K59-L84 HydrophobicContact CG-CB 4.26Å; I82-L84 HydrophobicContact CG2-CD2 4.09Å; I82-L84 PolarHBondContact O-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.77Å; L84-L87 PolarHBondContact O-N 3.31Å; L84-G90 WeakPolarHBondContact O-CA 3.29Å; L84-I93 HydrophobicContact CD2-CB 4.04Å; L84-I93 HydrophobicContact CD2-CG2 3.62Å; L84-Q94 HydrophobicContact CD1-CB 3.88Å; L84-Q94 HydrophobicContact CD1-CG 4.1Å; L84-L97 HydrophobicContact CD1-CD1 4.28Å; L84-V106 HydrophobicContact CD1-CG1 3.9Å
85	D	97.8	Very high	97.1	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.364	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-72.3	-10	175.8	60.4	-54.6	0	0	0	113.8	K59 T60 E83	K59-D85 WeakPolarHBondContact CA-OD1 3.33Å; K59-D85 HydrophobicContact CB-CB 4.46Å; K59-D85 HydrophobicContact CG-CB 4.26Å; T60-D85 WeakPolarHBondContact CB-OD2 3.28Å; T60-D85 PolarHBondContact N-OD1 3.12Å; T60-D85 PolarHBondContact N-OD2 2.92Å; T60-D85 PolarHBondContact OG1-OD2 3.2Å; E83-D85 PolarHBondContact O-N 2.85Å
86	Q	97.8	Very high	97.1	Very high	139 Å²	139	57.9 Å²	57.9	65%	0.65	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-105	2.2	176.7	-59.8	-174.4	-19.4	0	0	113.2	T60 E83 L84	T60-Q86 HydrophobicContact CG2-CG 4.25Å; E83-Q86 HydrophobicContact CB-CB 4.36Å; E83-Q86 HydrophobicContact CB-CG 4.12Å; E83-Q86 PolarHBondContact O-N 3.14Å; L84-Q86 PolarHBondContact O-N 2.77Å
87	L	96.2	Very high	97.1	Very high	67 Å²	67	49.3 Å²	49.3	35%	0.351	27%	0.274	S	S	.	.	S	Bend	trans	-106.2	133.3	176.5	-62.9	-177.7	0	0	0	110.6	I82 L84 N89 G90 I93	I82-L87 HydrophobicContact CG2-CD1 3.57Å; L84-L87 PolarHBondContact O-N 3.31Å; L87-N89 PolarHBondContact O-N 3.14Å; L87-G90 PolarHBondContact O-N 3.46Å; L87-I93 HydrophobicContact CD1-CD1 3.64Å
88	S	95.6	Very high	97	Very high	136 Å²	136	49.9 Å²	49.9	95%	0.951	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.6	179	55.7	0	0	0	0	113.1
89	N	94.1	Very high	96.9	Very high	59 Å²	59	50.9 Å²	50.9	32%	0.316	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	17.4	174.3	66.8	-21.6	0	0	0	113.4	T41 L87 S91 A92 I93	T41-N89 PolarHBondContact OG1-ND2 2.99Å; L87-N89 PolarHBondContact O-N 3.14Å; N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 2.71Å; N89-A92 WeakPolarHBondContact O-CB 3.24Å; N89-A92 PolarHBondContact O-N 3.21Å; N89-I93 PolarHBondContact O-N 2.94Å; N89-I93 VanDerWaalsContact O-N 3.09Å; N89-I93 WeakPolarHBondContact OD1-CD1 3.13Å
90	G	95.7	Very high	96.7	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-36.9	-173.3	0	0	0	0	0	115.1	L84 L87 A92 I93 Q94	L84-G90 WeakPolarHBondContact O-CA 3.29Å; L87-G90 PolarHBondContact O-N 3.46Å; G90-A92 VanDerWaalsContact C-N 3.34Å; G90-A92 PolarHBondContact O-N 3.11Å; G90-I93 PolarHBondContact O-N 2.92Å; G90-Q94 WeakPolarHBondContact O-CB 3.4Å; G90-Q94 PolarHBondContact O-N 3.08Å
91	S	95.6	Very high	96.6	Very high	93 Å²	93	52.1 Å²	52.1	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-66.7	-34	175.7	-63.9	0	0	0	0	112.8	N89 K95	N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 2.71Å; S91-K95 PolarHBondContact O-N 3.24Å
92	A	95.9	Very high	96.5	Very high	47 Å²	47	58.9 Å²	58.9	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-71.3	-41.4	176.2	0	0	0	0	0	111	N89 G90 Q94 K95 C96	N89-A92 WeakPolarHBondContact O-CB 3.24Å; N89-A92 PolarHBondContact O-N 3.21Å; G90-A92 VanDerWaalsContact C-N 3.34Å; G90-A92 PolarHBondContact O-N 3.11Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.01Å; A92-K95 PolarHBondContact O-N 2.86Å; A92-C96 WeakPolarHBondContact O-CB 3.42Å; A92-C96 PolarHBondContact O-N 3.02Å
93	I	96.7	Very high	96.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-46.1	173.3	-64.1	165	0	0	0	110.3	T41 W44 L45 F57 L84 L87 N89 G90 K95 C96 L97	T41-I93 HydrophobicContact CG2-CG1 3.53Å; W44-I93 HydrophobicContact CE3-CD1 4.28Å; W44-I93 HydrophobicContact CE3-CG1 4.48Å; W44-I93 HydrophobicContact CH2-CD1 4.06Å; W44-I93 HydrophobicContact CZ3-CD1 3.55Å; W44-I93 HydrophobicContact CZ3-CG1 3.94Å; W44-I93 HydrophobicContact CZ3-CG2 4.11Å; L45-I93 HydrophobicContact CD1-CG2 4.2Å; L45-I93 HydrophobicContact CD2-CG2 4.48Å; F57-I93 HydrophobicContact CE1-CG2 4.41Å; L84-I93 HydrophobicContact CD2-CB 4.04Å; L84-I93 HydrophobicContact CD2-CG2 3.62Å; L87-I93 HydrophobicContact CD1-CD1 3.64Å; N89-I93 PolarHBondContact O-N 2.94Å; N89-I93 VanDerWaalsContact O-N 3.09Å; N89-I93 WeakPolarHBondContact OD1-CD1 3.13Å; G90-I93 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 3.1Å; I93-C96 PolarHBondContact O-N 2.74Å; I93-C96 VanDerWaalsContact O-N 3.08Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 3.12Å
94	Q	97.3	Very high	96.4	Very high	35 Å²	35	63.3 Å²	63.3	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-41.5	-179.4	-167.3	176.9	-23.6	0	0	112.7	L84 G90 A92 E104	L84-Q94 HydrophobicContact CD1-CB 3.88Å; L84-Q94 HydrophobicContact CD1-CG 4.1Å; G90-Q94 WeakPolarHBondContact O-CB 3.4Å; G90-Q94 PolarHBondContact O-N 3.08Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.01Å; Q94-E104 WeakPolarHBondContact CG-O 3.42Å; Q94-E104 PolarHBondContact NE2-O 2.53Å
95	K	96.4	Very high	96.3	Very high	139 Å²	139	66.9 Å²	66.9	60%	0.604	37%	0.371	S	S	*	.	H	α-helix	trans	-68.6	-41.9	173.9	-70.8	-176.3	176.5	-176.7	0	112	S91 A92 I93 L97 A98	S91-K95 PolarHBondContact O-N 3.24Å; A92-K95 PolarHBondContact O-N 2.86Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 3.1Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.92Å; K95-A98 WeakPolarHBondContact O-CB 3.47Å; K95-A98 PolarHBondContact O-N 2.8Å
96	C	95.8	Very high	96.3	Very high	25 Å²	25	64.8 Å²	64.8	17%	0.169	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-28.4	-178.5	-167.8	0	0	0	0	112.8	S42 L45 A92 I93 A98 S99	S42-C96 PolarHBondContact OG-SG 3.02Å; L45-C96 HydrophobicContact CD2-CB 3.82Å; A92-C96 WeakPolarHBondContact O-CB 3.42Å; A92-C96 PolarHBondContact O-N 3.02Å; I93-C96 PolarHBondContact O-N 2.74Å; I93-C96 VanDerWaalsContact O-N 3.08Å; C96-A98 PolarHBondContact O-N 3.4Å; C96-A98 VanDerWaalsContact O-N 3.14Å; C96-S99 WeakPolarHBondContact O-CB 3.32Å; C96-S99 PolarHBondContact O-N 3.37Å; C96-S99 PolarHBondContact O-OG 3.45Å
97	L	96.7	Very high	96.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.7	174.7	-79.9	170.1	0	0	0	113.5	L45 F57 L84 I93 K95 S99 F100 S101 F110	L45-L97 HydrophobicContact CD1-CD2 3.9Å; L45-L97 HydrophobicContact CD2-CD2 4.13Å; L45-L97 HydrophobicContact CD2-CG 4.21Å; F57-L97 HydrophobicContact CB-CD1 3.83Å; F57-L97 HydrophobicContact CD1-CD1 4.01Å; F57-L97 HydrophobicContact CD1-CD2 4.2Å; F57-L97 HydrophobicContact CD2-CD1 4.32Å; F57-L97 HydrophobicContact CD2-CD2 3.73Å; F57-L97 HydrophobicContact CE1-CD2 4.2Å; F57-L97 HydrophobicContact CE2-CD2 3.74Å; F57-L97 HydrophobicContact CG-CD1 3.79Å; F57-L97 HydrophobicContact CG-CD2 3.96Å; F57-L97 HydrophobicContact CZ-CD2 3.98Å; L84-L97 HydrophobicContact CD1-CD1 4.28Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 3.12Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.92Å; L97-S99 PolarHBondContact O-N 3.19Å; L97-S99 VanDerWaalsContact O-N 3.09Å; L97-F100 PolarHBondContact O-N 3.45Å; L97-S101 PolarHBondContact O-N 3.31Å; L97-S101 PolarHBondContact O-OG 3.28Å; L97-S101 VanDerWaalsContact O-OG 3.07Å; L97-F110 HydrophobicContact CD2-CE2 4.05Å; L97-F110 HydrophobicContact CD2-CZ 4.21Å
98	A	96.5	Very high	96.5	Very high	29 Å²	29	55 Å²	55	24%	0.24	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-23.5	177.2	0	0	0	0	0	113.1	K95 C96 F100 K102 I103 E104	K95-A98 WeakPolarHBondContact O-CB 3.47Å; K95-A98 PolarHBondContact O-N 2.8Å; C96-A98 PolarHBondContact O-N 3.4Å; C96-A98 VanDerWaalsContact O-N 3.14Å; A98-F100 PolarHBondContact O-N 3.44Å; A98-K102 WeakPolarHBondContact O-CA 3.4Å; A98-K102 PolarHBondContact O-N 2.77Å; A98-I103 WeakPolarHBondContact CA-O 3.31Å; A98-E104 HydrophobicContact CB-CG 3.97Å
99	S	95.5	Very high	96.6	Very high	86 Å²	86	48.6 Å²	48.6	60%	0.601	27%	0.268	S	S	*	.	H	α-helix	trans	-67.7	-20	173.6	67.9	0	0	0	0	113.8	C96 L97	C96-S99 WeakPolarHBondContact O-CB 3.32Å; C96-S99 PolarHBondContact O-N 3.37Å; C96-S99 PolarHBondContact O-OG 3.45Å; L97-S99 PolarHBondContact O-N 3.19Å; L97-S99 VanDerWaalsContact O-N 3.09Å
100	F	96.2	Very high	96.9	Very high	49 Å²	49	45.9 Å²	45.9	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-104.4	-38.1	177.3	-60.5	-93	0	0	0	112.6	L45 R46 V49 L97 A98 F110	L45-F100 HydrophobicContact CD2-CD2 4.19Å; L45-F100 HydrophobicContact CD2-CE2 3.8Å; L45-F100 HydrophobicContact CG-CD2 4.43Å; L45-F100 HydrophobicContact CG-CE2 3.81Å; L45-F100 HydrophobicContact CG-CZ 4.46Å; R46-F100 HydrophobicContact CB-CZ 3.99Å; R46-F100 HydrophobicContact CG-CZ 4.42Å; V49-F100 HydrophobicContact CB-CD1 4.38Å; V49-F100 HydrophobicContact CB-CE1 4.21Å; V49-F100 HydrophobicContact CG1-CD1 3.91Å; V49-F100 HydrophobicContact CG1-CE1 4.13Å; L97-F100 PolarHBondContact O-N 3.45Å; A98-F100 PolarHBondContact O-N 3.44Å; F100-F110 HydrophobicContact CB-CE1 3.72Å; F100-F110 HydrophobicContact CB-CZ 3.89Å
101	S	96.2	Very high	97	Very high	11 Å²	11	46.1 Å²	46.1	8%	0.077	26%	0.255	C	S	.	.	H	α-helix	trans	-113.5	-10.4	-170	63.4	0	0	0	0	115	L97 I103 Q108	L97-S101 PolarHBondContact O-N 3.31Å; L97-S101 PolarHBondContact O-OG 3.28Å; L97-S101 VanDerWaalsContact O-OG 3.07Å; S101-I103 PolarHBondContact O-N 3.37Å; S101-I103 WeakPolarHBondContact OG-CG1 3.46Å; S101-I103 PolarHBondContact OG-N 3.16Å; S101-I103 PolarHBondContact OG-O 2.99Å; S101-I103 VanDerWaalsContact OG-O 3.13Å; S101-Q108 PolarHBondContact OG-OE1 3.43Å
102	K	96.5	Very high	97.1	Very high	195 Å²	195	44 Å²	44	85%	0.848	23%	0.233	S	C	*	.	S	Bend	trans	62.1	11.8	-170.2	-51.6	-179.6	179.7	-178.3	0	114.9	A98	A98-K102 WeakPolarHBondContact O-CA 3.4Å; A98-K102 PolarHBondContact O-N 2.77Å
103	I	96.3	Very high	97.2	Very high	46 Å²	46	43 Å²	43	24%	0.236	23%	0.227	C	C	.	.			trans	-131.5	151.7	178.3	58.7	167.7	0	0	0	111.4	A98 S101 Q108 F115 D118	A98-I103 WeakPolarHBondContact CA-O 3.31Å; S101-I103 PolarHBondContact O-N 3.37Å; S101-I103 WeakPolarHBondContact OG-CG1 3.46Å; S101-I103 PolarHBondContact OG-N 3.16Å; S101-I103 PolarHBondContact OG-O 2.99Å; S101-I103 VanDerWaalsContact OG-O 3.13Å; I103-Q108 HydrophobicContact CD1-CG 4.04Å; I103-Q108 HydrophobicContact CG1-CG 4.36Å; I103-Q108 PolarHBondContact O-NE2 2.97Å; I103-F115 HydrophobicContact CD1-CE1 4.4Å; I103-F115 HydrophobicContact CD1-CE2 4.27Å; I103-F115 HydrophobicContact CD1-CZ 3.59Å; I103-F115 HydrophobicContact CG1-CZ 4.12Å; I103-D118 HydrophobicContact CD1-CB 4.07Å
104	E	96.9	Very high	97.2	Very high	98 Å²	98	48.7 Å²	48.7	46%	0.458	25%	0.252	S	S	.	.			trans	-109	2.4	174.7	-62.8	-172.8	-174.9	0	0	112.4	Q94 A98	Q94-E104 WeakPolarHBondContact CG-O 3.42Å; Q94-E104 PolarHBondContact NE2-O 2.53Å; A98-E104 HydrophobicContact CB-CG 3.97Å
105	T	97.3	Very high	97.3	Very high	80 Å²	80	49.8 Å²	49.8	49%	0.491	26%	0.256	S	S	.	.			trans	-77	166.7	179.8	56.6	0	0	0	0	111.6	Q108	T105-Q108 WeakPolarHBondContact O-CG 3.45Å; T105-Q108 PolarHBondContact O-NE2 2.96Å
106	V	98.1	Very high	97.3	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	23%	0.231	C	C	.	.	S	Bend	trans	-125.8	146.8	170.7	-67.9	0	0	0	0	109.4	K59 C62 L84	K59-V106 HydrophobicContact CB-CG2 4.36Å; K59-V106 HydrophobicContact CD-CG2 4.14Å; K59-V106 HydrophobicContact CG-CG2 4.07Å; C62-V106 HydrophobicContact CB-CG2 4.45Å; L84-V106 HydrophobicContact CD1-CG1 3.9Å
107	P	98.5	Very high	97.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.225	C	C	.	.			cis	-79.7	158.4	3.1	31.7	-34.2	0	0	0	114	L56 F57 C65 V68 D118	L56-P107 HydrophobicContact CD1-CB 3.83Å; L56-P107 HydrophobicContact CG-CB 4.35Å; F57-P107 CarbonylContact O-C 3.5Å; F57-P107 WeakPolarHBondContact O-CA 3.22Å; C65-P107 HydrophobicContact CB-CB 4.38Å; V68-P107 HydrophobicContact CB-CG 4.11Å; V68-P107 HydrophobicContact CG2-CG 3.62Å; P107-D118 WeakPolarHBondContact O-CA 3.45Å
108	Q	98.6	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.2	168.4	-56	-170.2	22.2	0	0	110	F57 S101 I103 T105 F110 F115	F57-Q108 HydrophobicContact CB-CB 4.39Å; F57-Q108 PolarHBondContact N-O 3.01Å; F57-Q108 PolarHBondContact O-N 3.16Å; S101-Q108 PolarHBondContact OG-OE1 3.43Å; I103-Q108 HydrophobicContact CD1-CG 4.04Å; I103-Q108 HydrophobicContact CG1-CG 4.36Å; I103-Q108 PolarHBondContact O-NE2 2.97Å; T105-Q108 WeakPolarHBondContact O-CG 3.45Å; T105-Q108 PolarHBondContact O-NE2 2.96Å; Q108-F110 HydrophobicContact CB-CE2 3.88Å; Q108-F115 HydrophobicContact CB-CE2 3.93Å; Q108-F115 HydrophobicContact CG-CE2 4.35Å
109	M	98.6	Very high	97.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.2	-179.7	-173.9	177.8	176.3	0	0	111.1	V54 L56 L72 V111 I116 G117 V122 L131 V135	V54-M109 HydrophobicContact CG1-CE 3.66Å; L56-M109 HydrophobicContact CD1-CB 3.97Å; L72-M109 HydrophobicContact CD2-CE 3.78Å; L72-M109 HydrophobicContact CD2-SD 4.12Å; M109-V111 HydrophobicContact CE-CG2 4.1Å; M109-I116 PolarHBondContact O-N 2.98Å; M109-G117 PolarHBondContact N-O 2.87Å; M109-V122 HydrophobicContact CB-CG2 3.86Å; M109-V122 HydrophobicContact CG-CG2 4.44Å; M109-V122 HydrophobicContact SD-CG1 4.05Å; M109-V122 HydrophobicContact SD-CG2 3.72Å; M109-L131 HydrophobicContact CE-CD1 4.38Å; M109-V135 HydrophobicContact CE-CG1 3.68Å
110	F	98.6	Very high	97.6	Very high	2 Å²	2	48 Å²	48	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.4	175.4	-69.2	-101.8	0	0	0	110.7	V49 V54 I55 F57 L97 F100 Q108 K114 F115	V49-F110 HydrophobicContact CG1-CD1 3.66Å; V49-F110 HydrophobicContact CG1-CE1 3.98Å; V49-F110 HydrophobicContact CG1-CG 4.41Å; V49-F110 HydrophobicContact CG2-CD1 4.42Å; V49-F110 HydrophobicContact CG2-CE1 4.46Å; V54-F110 WeakPolarHBondContact CA-O 3.35Å; I55-F110 HydrophobicContact CG2-CB 3.77Å; I55-F110 PolarHBondContact N-O 2.96Å; I55-F110 PolarHBondContact O-N 2.89Å; F57-F110 AromaticContact CD2-CD2 3.74Å; F57-F110 HydrophobicContact CD2-CD2 3.74Å; F57-F110 AromaticContact CD2-CE2 3.76Å; F57-F110 HydrophobicContact CD2-CE2 3.76Å; F57-F110 AromaticContact CE2-CD2 3.76Å; F57-F110 HydrophobicContact CE2-CD2 3.76Å; F57-F110 AromaticContact CE2-CE2 3.89Å; F57-F110 HydrophobicContact CE2-CE2 3.89Å; L97-F110 HydrophobicContact CD2-CE2 4.05Å; L97-F110 HydrophobicContact CD2-CZ 4.21Å; F100-F110 HydrophobicContact CB-CE1 3.72Å; F100-F110 HydrophobicContact CB-CZ 3.89Å; Q108-F110 HydrophobicContact CB-CE2 3.88Å; F110-K114 CarbonylContact C-O 3.59Å; F110-K114 VanDerWaalsContact CA-O 3.28Å; F110-K114 WeakPolarHBondContact CA-O 3.26Å; F110-F115 HydrophobicContact CD1-CB 3.96Å; F110-F115 HydrophobicContact CD2-CD2 4.35Å; F110-F115 HydrophobicContact CE1-CB 3.56Å; F110-F115 HydrophobicContact CE1-CD2 4.07Å; F110-F115 HydrophobicContact CE1-CG 4.24Å; F110-F115 AromaticContact CE2-CD2 3.89Å; F110-F115 HydrophobicContact CE2-CD2 3.89Å; F110-F115 HydrophobicContact CZ-CB 4.06Å; F110-F115 AromaticContact CZ-CD2 3.73Å; F110-F115 HydrophobicContact CZ-CD2 3.73Å; F110-F115 HydrophobicContact CZ-CG 4.25Å
111	V	98.5	Very high	97.7	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117	172.9	177	0	0	0	0	108.2	A53 V54 M109 G113 K114 I116 V135	A53-V111 CarbonylContact O-C 3.55Å; A53-V111 VanDerWaalsContact O-CA 3.26Å; A53-V111 WeakPolarHBondContact O-CA 3.48Å; V54-V111 HydrophobicContact CG1-CG2 4.28Å; V54-V111 HydrophobicContact CG2-CG2 4.34Å; M109-V111 HydrophobicContact CE-CG2 4.1Å; V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.22Å; V111-K114 PolarHBondContact N-O 3.46Å; V111-K114 WeakPolarHBondContact O-CB 3.29Å; V111-K114 PolarHBondContact O-N 3.03Å; V111-I116 HydrophobicContact CB-CD1 4.12Å; V111-I116 HydrophobicContact CB-CG1 3.89Å; V111-I116 HydrophobicContact CG2-CD1 4.27Å; V111-I116 HydrophobicContact CG2-CG1 3.6Å; V111-V135 HydrophobicContact CG2-CG1 4.1Å
112	R	98	Very high	97.8	Very high	49 Å²	49	47.3 Å²	47.3	19%	0.185	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	50.4	176.7	-58.2	178.6	-178.1	84.2	15.1	113.7	A52 A53 K114 V135 E137 D143	A52-R112 WeakPolarHBondContact O-CA 3.15Å; A52-R112 PolarHBondContact O-N 3.08Å; A53-R112 PolarHBondContact O-N 3.5Å; R112-K114 VanDerWaalsContact C-N 3.28Å; R112-K114 PolarHBondContact O-N 3.08Å; R112-V135 PolarHBondContact NH1-O 2.8Å; R112-E137 PolarHBondContact NH1-O 3.32Å; R112-D143 IonicContact CZ-OD1 2.88Å; R112-D143 IonicContact CZ-OD2 2.67Å; R112-D143 IonicContact NE-OD1 3.74Å; R112-D143 PolarHBondContact NE-OD1 3.15Å; R112-D143 IonicContact NE-OD2 3.09Å; R112-D143 IonicContact NH2-OD1 2.82Å; R112-D143 PolarHBondContact NH2-OD1 2.95Å; R112-D143 IonicContact NH2-OD2 3.9Å; R112-D143 PolarHBondContact NH2-OD2 2.97Å
113	G	97.2	Very high	97.8	Very high	27 Å²	27	40.4 Å²	40.4	28%	0.278	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-13.4	-178.6	0	0	0	0	0	116	V49 V111	V49-G113 WeakPolarHBondContact O-CA 3.37Å; V49-G113 PolarHBondContact O-N 3.3Å; V49-G113 VanDerWaalsContact O-N 3.08Å; V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.22Å
114	K	97.6	Very high	97.9	Very high	120 Å²	120	44.4 Å²	44.4	52%	0.522	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.5	-180	-172	180	175	-176	0	110.6	F110 V111 R112 I116 E137	F110-K114 CarbonylContact C-O 3.59Å; F110-K114 VanDerWaalsContact CA-O 3.28Å; F110-K114 WeakPolarHBondContact CA-O 3.26Å; V111-K114 PolarHBondContact N-O 3.46Å; V111-K114 WeakPolarHBondContact O-CB 3.29Å; V111-K114 PolarHBondContact O-N 3.03Å; R112-K114 VanDerWaalsContact C-N 3.28Å; R112-K114 PolarHBondContact O-N 3.08Å; K114-I116 HydrophobicContact CB-CD1 4.42Å; K114-I116 HydrophobicContact CD-CD1 4.15Å; K114-I116 HydrophobicContact CG-CD1 4.15Å; K114-I116 PolarHBondContact O-N 3.45Å; K114-E137 IonicContact NZ-OE2 3.77Å
115	F	98.3	Very high	97.9	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.25	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	120.5	167.5	175.9	-120.2	0	0	0	109.4	I103 Q108 F110 G117	I103-F115 HydrophobicContact CD1-CE1 4.4Å; I103-F115 HydrophobicContact CD1-CE2 4.27Å; I103-F115 HydrophobicContact CD1-CZ 3.59Å; I103-F115 HydrophobicContact CG1-CZ 4.12Å; Q108-F115 HydrophobicContact CB-CE2 3.93Å; Q108-F115 HydrophobicContact CG-CE2 4.35Å; F110-F115 HydrophobicContact CD1-CB 3.96Å; F110-F115 HydrophobicContact CD2-CD2 4.35Å; F110-F115 HydrophobicContact CE1-CB 3.56Å; F110-F115 HydrophobicContact CE1-CD2 4.07Å; F110-F115 HydrophobicContact CE1-CG 4.24Å; F110-F115 AromaticContact CE2-CD2 3.89Å; F110-F115 HydrophobicContact CE2-CD2 3.89Å; F110-F115 HydrophobicContact CZ-CB 4.06Å; F110-F115 AromaticContact CZ-CD2 3.73Å; F110-F115 HydrophobicContact CZ-CD2 3.73Å; F110-F115 HydrophobicContact CZ-CG 4.25Å; F115-G117 VanDerWaalsContact CE2-C 3.5Å; F115-G117 WeakPolarHBondContact CE2-O 3.15Å; F115-G117 VanDerWaalsContact CZ-C 3.43Å
116	I	97.8	Very high	97.9	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-41	-179	-61.4	-51.1	0	0	0	111	M109 V111 K114 T121 Y125 I134	M109-I116 PolarHBondContact O-N 2.98Å; V111-I116 HydrophobicContact CB-CD1 4.12Å; V111-I116 HydrophobicContact CB-CG1 3.89Å; V111-I116 HydrophobicContact CG2-CD1 4.27Å; V111-I116 HydrophobicContact CG2-CG1 3.6Å; K114-I116 HydrophobicContact CB-CD1 4.42Å; K114-I116 HydrophobicContact CD-CD1 4.15Å; K114-I116 HydrophobicContact CG-CD1 4.15Å; K114-I116 PolarHBondContact O-N 3.45Å; I116-T121 WeakPolarHBondContact O-CG2 3.46Å; I116-Y125 HydrophobicContact CG2-CD2 3.93Å; I116-Y125 HydrophobicContact CG2-CE2 3.75Å; I116-I134 HydrophobicContact CD1-CG2 3.68Å; I116-I134 HydrophobicContact CG1-CG2 4.11Å; I116-I134 HydrophobicContact CG2-CG2 4.04Å
117	G	97.1	Very high	97.9	Very high	3 Å²	3	45 Å²	45	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	176.9	178	0	0	0	0	0	115.4	M109 F115	M109-G117 PolarHBondContact N-O 2.87Å; F115-G117 VanDerWaalsContact CE2-C 3.5Å; F115-G117 WeakPolarHBondContact CE2-O 3.15Å; F115-G117 VanDerWaalsContact CZ-C 3.43Å
118	D	98	Very high	97.8	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.251	25%	0.245	S	C	.	.			trans	-83	-171.5	168.5	64.4	11.6	0	0	0	111.8	I103 P107 Q120 T121 V122	I103-D118 HydrophobicContact CD1-CB 4.07Å; P107-D118 WeakPolarHBondContact O-CA 3.45Å; D118-Q120 PolarHBondContact O-N 2.92Å; D118-Q120 PolarHBondContact OD1-N 3.01Å; D118-T121 PolarHBondContact O-N 3Å; D118-T121 WeakPolarHBondContact OD1-CB 3.43Å; D118-T121 PolarHBondContact OD1-N 3.32Å; D118-T121 PolarHBondContact OD1-OG1 3.45Å; D118-V122 WeakPolarHBondContact O-CG2 3.25Å; D118-V122 PolarHBondContact O-N 2.89Å
119	S	97.6	Very high	97.7	Very high	21 Å²	21	55.6 Å²	55.6	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-44.5	179.9	58	0	0	0	0	113.6	T121 V122 L123	S119-T121 VanDerWaalsContact C-N 3.31Å; S119-T121 PolarHBondContact O-N 3.43Å; S119-V122 PolarHBondContact O-N 3.4Å; S119-L123 WeakPolarHBondContact O-CB 3.26Å; S119-L123 WeakPolarHBondContact O-CD1 3.35Å; S119-L123 PolarHBondContact O-N 2.84Å
120	Q	97.6	Very high	97.6	Very high	154 Å²	154	59.7 Å²	59.7	72%	0.72	30%	0.301	S	S	*	.	H	α-helix	trans	-63.7	-41.2	-179.7	-179.2	176.2	-13	0	0	111.2	D118 K124	D118-Q120 PolarHBondContact O-N 2.92Å; D118-Q120 PolarHBondContact OD1-N 3.01Å; Q120-K124 WeakPolarHBondContact O-CB 3.46Å; Q120-K124 PolarHBondContact O-N 3.19Å
121	T	97.9	Very high	97.5	Very high	45 Å²	45	59.8 Å²	59.8	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-47.6	-179.9	-52.9	0	0	0	0	111.5	I116 D118 S119 L123 K124 Y125	I116-T121 WeakPolarHBondContact O-CG2 3.46Å; D118-T121 PolarHBondContact O-N 3Å; D118-T121 WeakPolarHBondContact OD1-CB 3.43Å; D118-T121 PolarHBondContact OD1-N 3.32Å; D118-T121 PolarHBondContact OD1-OG1 3.45Å; S119-T121 VanDerWaalsContact C-N 3.31Å; S119-T121 PolarHBondContact O-N 3.43Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.39Å; T121-K124 WeakPolarHBondContact O-CB 3.32Å; T121-K124 PolarHBondContact O-N 2.92Å; T121-Y125 HydrophobicContact CG2-CD2 4.1Å; T121-Y125 HydrophobicContact CG2-CE2 3.55Å; T121-Y125 WeakPolarHBondContact O-CD2 3.47Å; T121-Y125 PolarHBondContact O-N 2.98Å; T121-Y125 VanDerWaalsContact O-N 3.08Å
122	V	97.8	Very high	97.3	Very high	1 Å²	1	62 Å²	62	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-40.3	178.3	175	0	0	0	0	111.4	V68 M109 D118 S119 K124 Y125 Y126 L131	V68-V122 HydrophobicContact CG1-CG1 4.03Å; M109-V122 HydrophobicContact CB-CG2 3.86Å; M109-V122 HydrophobicContact CG-CG2 4.44Å; M109-V122 HydrophobicContact SD-CG1 4.05Å; M109-V122 HydrophobicContact SD-CG2 3.72Å; D118-V122 WeakPolarHBondContact O-CG2 3.25Å; D118-V122 PolarHBondContact O-N 2.89Å; S119-V122 PolarHBondContact O-N 3.4Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.34Å; V122-Y125 PolarHBondContact O-N 2.89Å; V122-Y126 PolarHBondContact O-N 2.75Å; V122-L131 HydrophobicContact CG1-CD1 4.27Å; V122-L131 HydrophobicContact CG1-CD2 4.42Å
123	L	97.3	Very high	97.2	Very high	51 Å²	51	62 Å²	62	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-36.5	176.1	-94.6	70.9	0	0	0	112.5	K67 V68 V71 S119 T121 Y126 S127	K67-L123 HydrophobicContact CD-CD2 3.6Å; K67-L123 HydrophobicContact CG-CD1 4.41Å; K67-L123 HydrophobicContact CG-CD2 4.23Å; V68-L123 HydrophobicContact CG2-CD1 3.96Å; V71-L123 HydrophobicContact CG2-CD1 4.33Å; V71-L123 HydrophobicContact CG2-CG 4.48Å; S119-L123 WeakPolarHBondContact O-CB 3.26Å; S119-L123 WeakPolarHBondContact O-CD1 3.35Å; S119-L123 PolarHBondContact O-N 2.84Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.39Å; L123-Y126 PolarHBondContact O-N 2.87Å; L123-S127 PolarHBondContact O-N 3.03Å; L123-S127 PolarHBondContact O-OG 3.34Å
124	K	97.9	Very high	97.2	Very high	130 Å²	130	62.2 Å²	62.2	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-63.4	-44.8	174.4	-177.5	-172.2	174.7	-171.5	0	111.4	Q120 T121 V122 Y126 S127 N128	Q120-K124 WeakPolarHBondContact O-CB 3.46Å; Q120-K124 PolarHBondContact O-N 3.19Å; T121-K124 WeakPolarHBondContact O-CB 3.32Å; T121-K124 PolarHBondContact O-N 2.92Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.34Å; K124-Y126 VanDerWaalsContact C-N 3.27Å; K124-Y126 PolarHBondContact O-N 3.05Å; K124-S127 PolarHBondContact O-N 2.81Å; K124-S127 PolarHBondContact O-OG 2.92Å; K124-N128 WeakPolarHBondContact O-CB 3.45Å; K124-N128 PolarHBondContact O-N 2.79Å; K124-N128 VanDerWaalsContact O-N 3.16Å
125	Y	97.9	Very high	97.2	Very high	65 Å²	65	57 Å²	57	26%	0.255	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-35.4	175.7	-69	-44.7	0	0	0	112.4	I116 T121 V122 D129 E130 L131 I134	I116-Y125 HydrophobicContact CG2-CD2 3.93Å; I116-Y125 HydrophobicContact CG2-CE2 3.75Å; T121-Y125 HydrophobicContact CG2-CD2 4.1Å; T121-Y125 HydrophobicContact CG2-CE2 3.55Å; T121-Y125 WeakPolarHBondContact O-CD2 3.47Å; T121-Y125 PolarHBondContact O-N 2.98Å; T121-Y125 VanDerWaalsContact O-N 3.08Å; V122-Y125 PolarHBondContact O-N 2.89Å; Y125-D129 PolarHBondContact O-N 3.05Å; Y125-E130 HydrophobicContact CD1-CB 4.1Å; Y125-E130 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E130 WeakPolarHBondContact CE1-OE2 3.21Å; Y125-E130 PolarHBondContact O-N 3.23Å; Y125-L131 PolarHBondContact O-N 2.91Å; Y125-I134 HydrophobicContact CD1-CD1 3.43Å; Y125-I134 VanDerWaalsContact CD1-CD1 3.43Å; Y125-I134 HydrophobicContact CD2-CD1 3.65Å; Y125-I134 HydrophobicContact CE1-CD1 3.66Å; Y125-I134 HydrophobicContact CE2-CD1 3.85Å; Y125-I134 HydrophobicContact CG-CD1 3.43Å; Y125-I134 VanDerWaalsContact CG-CD1 3.43Å
126	Y	97.3	Very high	97.1	Very high	64 Å²	64	59.3 Å²	59.3	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-66.3	-48.6	174.7	-176.6	-118.4	0	0	0	112	V71 E74 A75 V122 L123 K124 N128 D129 L131	V71-Y126 HydrophobicContact CB-CD1 4.43Å; V71-Y126 HydrophobicContact CG1-CD1 3.64Å; V71-Y126 HydrophobicContact CG1-CD2 3.62Å; V71-Y126 HydrophobicContact CG1-CE1 4.18Å; V71-Y126 HydrophobicContact CG1-CE2 4.17Å; V71-Y126 HydrophobicContact CG1-CG 3.32Å; V71-Y126 HydrophobicContact CG2-CD1 4.03Å; V71-Y126 HydrophobicContact CG2-CE1 4.29Å; E74-Y126 WeakPolarHBondContact CG-OH 3.3Å; E74-Y126 PolarHBondContact OE1-OH 3.07Å; A75-Y126 HydrophobicContact CB-CD2 4.23Å; A75-Y126 HydrophobicContact CB-CE2 3.85Å; V122-Y126 PolarHBondContact O-N 2.75Å; L123-Y126 PolarHBondContact O-N 2.87Å; K124-Y126 VanDerWaalsContact C-N 3.27Å; K124-Y126 PolarHBondContact O-N 3.05Å; Y126-N128 PolarHBondContact O-N 3.05Å; Y126-D129 PolarHBondContact O-N 3.26Å; Y126-L131 HydrophobicContact CD2-CD2 4.16Å
127	S	97	Very high	97.1	Very high	85 Å²	85	64.4 Å²	64.4	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-19.3	-179.2	60.8	0	0	0	0	114.3	L123 K124	L123-S127 PolarHBondContact O-N 3.03Å; L123-S127 PolarHBondContact O-OG 3.34Å; K124-S127 PolarHBondContact O-N 2.81Å; K124-S127 PolarHBondContact O-OG 2.92Å
128	N	97.2	Very high	97.1	Very high	75 Å²	75	66.2 Å²	66.2	40%	0.401	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.3	179	-70.4	1	0	0	0	113.5	K124 Y126 E130	K124-N128 WeakPolarHBondContact O-CB 3.45Å; K124-N128 PolarHBondContact O-N 2.79Å; K124-N128 VanDerWaalsContact O-N 3.16Å; Y126-N128 PolarHBondContact O-N 3.05Å; N128-E130 HydrophobicContact CB-CG 3.9Å; N128-E130 WeakPolarHBondContact CB-OE1 3.13Å; N128-E130 PolarHBondContact ND2-OE1 3.02Å; N128-E130 VanDerWaalsContact ND2-OE1 3.12Å; N128-E130 PolarHBondContact O-N 2.79Å; N128-E130 VanDerWaalsContact O-N 3.15Å
129	D	95.8	Very high	97.1	Very high	147 Å²	147	72 Å²	72	79%	0.786	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	21.1	-173.8	-63.9	-34.3	0	0	0	114.9	Y125 Y126	Y125-D129 PolarHBondContact O-N 3.05Å; Y126-D129 PolarHBondContact O-N 3.26Å
130	E	97.4	Very high	97.1	Very high	87 Å²	87	73 Å²	73	41%	0.407	38%	0.383	S	S	.	.			trans	-87	-23.9	-179.2	-68	170.2	-151.4	0	0	112.2	Y125 N128 A132 G133 I134	Y125-E130 HydrophobicContact CD1-CB 4.1Å; Y125-E130 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E130 WeakPolarHBondContact CE1-OE2 3.21Å; Y125-E130 PolarHBondContact O-N 3.23Å; N128-E130 HydrophobicContact CB-CG 3.9Å; N128-E130 WeakPolarHBondContact CB-OE1 3.13Å; N128-E130 PolarHBondContact ND2-OE1 3.02Å; N128-E130 VanDerWaalsContact ND2-OE1 3.12Å; N128-E130 PolarHBondContact O-N 2.79Å; N128-E130 VanDerWaalsContact O-N 3.15Å; E130-A132 PolarHBondContact O-N 2.78Å; E130-G133 PolarHBondContact O-N 2.87Å; E130-G133 VanDerWaalsContact O-N 3.13Å; E130-I134 HydrophobicContact CB-CD1 4.26Å; E130-I134 WeakPolarHBondContact O-CG1 3.3Å; E130-I134 PolarHBondContact O-N 3.2Å; E130-I134 VanDerWaalsContact O-N 3.1Å
131	L	96	Very high	97.1	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-40.3	-168.9	-171.7	62.9	0	0	0	113.5	V71 L72 I77 M109 V122 Y125 Y126 G133 I134 V135	V71-L131 HydrophobicContact CG1-CD2 4.22Å; L72-L131 HydrophobicContact CD2-CD2 4.08Å; I77-L131 HydrophobicContact CD1-CB 4.43Å; I77-L131 HydrophobicContact CD1-CD2 3.62Å; I77-L131 HydrophobicContact CD1-CG 3.53Å; M109-L131 HydrophobicContact CE-CD1 4.38Å; V122-L131 HydrophobicContact CG1-CD1 4.27Å; V122-L131 HydrophobicContact CG1-CD2 4.42Å; Y125-L131 PolarHBondContact O-N 2.91Å; Y126-L131 HydrophobicContact CD2-CD2 4.16Å; L131-G133 PolarHBondContact O-N 3.04Å; L131-I134 PolarHBondContact O-N 2.84Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.75Å; L131-V135 VanDerWaalsContact O-N 3.1Å
132	A	95.1	Very high	97.2	Very high	54 Å²	54	68.4 Å²	68.4	45%	0.446	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-37.2	178.8	0	0	0	0	0	112.3	E130 V135 N136	E130-A132 PolarHBondContact O-N 2.78Å; A132-V135 WeakPolarHBondContact O-CG2 3.21Å; A132-N136 WeakPolarHBondContact O-CB 3.42Å; A132-N136 PolarHBondContact O-N 2.78Å; A132-N136 PolarHBondContact O-ND2 2.81Å
133	G	96	Very high	97.2	Very high	50 Å²	50	68.4 Å²	68.4	52%	0.515	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-44.8	174.5	0	0	0	0	0	111.5	E130 L131 V135 N136 E137	E130-G133 PolarHBondContact O-N 2.87Å; E130-G133 VanDerWaalsContact O-N 3.13Å; L131-G133 PolarHBondContact O-N 3.04Å; G133-V135 PolarHBondContact O-N 2.95Å; G133-N136 PolarHBondContact O-N 3.09Å; G133-E137 PolarHBondContact O-N 3.18Å; G133-E137 VanDerWaalsContact O-N 3.09Å
134	I	96.9	Very high	97.3	Very high	30 Å²	30	66 Å²	66	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-46.7	-180	-67.7	168.2	0	0	0	111.6	I116 Y125 E130 L131 N136 E137	I116-I134 HydrophobicContact CD1-CG2 3.68Å; I116-I134 HydrophobicContact CG1-CG2 4.11Å; I116-I134 HydrophobicContact CG2-CG2 4.04Å; Y125-I134 HydrophobicContact CD1-CD1 3.43Å; Y125-I134 VanDerWaalsContact CD1-CD1 3.43Å; Y125-I134 HydrophobicContact CD2-CD1 3.65Å; Y125-I134 HydrophobicContact CE1-CD1 3.66Å; Y125-I134 HydrophobicContact CE2-CD1 3.85Å; Y125-I134 HydrophobicContact CG-CD1 3.43Å; Y125-I134 VanDerWaalsContact CG-CD1 3.43Å; E130-I134 HydrophobicContact CB-CD1 4.26Å; E130-I134 WeakPolarHBondContact O-CG1 3.3Å; E130-I134 PolarHBondContact O-N 3.2Å; E130-I134 VanDerWaalsContact O-N 3.1Å; L131-I134 PolarHBondContact O-N 2.84Å; I134-N136 VanDerWaalsContact C-N 3.26Å; I134-N136 PolarHBondContact O-N 2.81Å; I134-E137 PolarHBondContact O-N 3.47Å
135	V	96.9	Very high	97.4	Very high	11 Å²	11	59.8 Å²	59.8	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-73	-19	-179	-59.6	0	0	0	0	113.4	V54 I77 M109 V111 R112 L131 A132 G133	V54-V135 HydrophobicContact CG2-CB 4.34Å; I77-V135 HydrophobicContact CD1-CG1 4.13Å; I77-V135 HydrophobicContact CD1-CG2 3.98Å; I77-V135 HydrophobicContact CG1-CG2 4.17Å; I77-V135 HydrophobicContact CG2-CB 4.43Å; I77-V135 HydrophobicContact CG2-CG1 4.02Å; I77-V135 HydrophobicContact CG2-CG2 4.3Å; M109-V135 HydrophobicContact CE-CG1 3.68Å; V111-V135 HydrophobicContact CG2-CG1 4.1Å; R112-V135 PolarHBondContact NH1-O 2.8Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.75Å; L131-V135 VanDerWaalsContact O-N 3.1Å; A132-V135 WeakPolarHBondContact O-CG2 3.21Å; G133-V135 PolarHBondContact O-N 2.95Å
136	N	96.4	Very high	97.4	Very high	106 Å²	106	56.7 Å²	56.7	57%	0.567	31%	0.308	S	S	*	.	H	α-helix	trans	-91.5	-12.1	177.5	-76.3	-46.4	0	0	0	113.5	A132 G133 I134 S138	A132-N136 WeakPolarHBondContact O-CB 3.42Å; A132-N136 PolarHBondContact O-N 2.78Å; A132-N136 PolarHBondContact O-ND2 2.81Å; G133-N136 PolarHBondContact O-N 3.09Å; I134-N136 VanDerWaalsContact C-N 3.26Å; I134-N136 PolarHBondContact O-N 2.81Å; N136-S138 PolarHBondContact O-N 3.45Å
137	E	97.1	Very high	97.5	Very high	123 Å²	123	53.9 Å²	53.9	58%	0.575	30%	0.298	S	S	*	.			trans	-64.1	117.1	176	-171.9	-177.6	-161.7	0	0	110.5	R112 K114 G133 I134	R112-E137 PolarHBondContact NH1-O 3.32Å; K114-E137 IonicContact NZ-OE2 3.77Å; G133-E137 PolarHBondContact O-N 3.18Å; G133-E137 VanDerWaalsContact O-N 3.09Å; I134-E137 PolarHBondContact O-N 3.47Å
138	S	97.7	Very high	97.6	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	27%	0.274	S	S	.	.			trans	-146.2	145.1	-178.8	179.2	0	0	0	0	110.8	N136 Y140	N136-S138 PolarHBondContact O-N 3.45Å; S138-Y140 VanDerWaalsContact CB-O 3.23Å; S138-Y140 WeakPolarHBondContact CB-O 3.2Å; S138-Y140 PolarHBondContact O-N 3.1Å; S138-Y140 PolarHBondContact OG-N 3.33Å; S138-Y140 VanDerWaalsContact OG-N 3.14Å; S138-Y140 PolarHBondContact OG-O 2.8Å
139	K	97.6	Very high	97.6	Very high	169 Å²	169	46.7 Å²	46.7	74%	0.735	26%	0.255	S	S	*	.	S	Bend	trans	-68.1	-25	171.3	-174.8	-177.4	173.7	-162.5	0	112.5
140	Y	98.4	Very high	97.7	Very high	42 Å²	42	40.3 Å²	40.3	17%	0.165	22%	0.223	C	C	.	.	S	Bend	trans	-121.8	156.2	-176	-49.7	-72.6	0	0	0	110.3	S138 Y142 H268 T283 N285	S138-Y140 VanDerWaalsContact CB-O 3.23Å; S138-Y140 WeakPolarHBondContact CB-O 3.2Å; S138-Y140 PolarHBondContact O-N 3.1Å; S138-Y140 PolarHBondContact OG-N 3.33Å; S138-Y140 VanDerWaalsContact OG-N 3.14Å; S138-Y140 PolarHBondContact OG-O 2.8Å; Y140-Y142 PolarHBondContact O-N 3.49Å; Y140-H268 HydrophobicContact CD1-CB 4.3Å; Y140-H268 HydrophobicContact CE1-CB 3.86Å; Y140-H268 AromaticContact CE1-CG 3.77Å; Y140-H268 AromaticContact CE1-ND1 3.89Å; Y140-H268 AromaticContact CZ-CE1 3.92Å; Y140-H268 AromaticContact CZ-CG 3.96Å; Y140-H268 AromaticContact CZ-ND1 3.73Å; Y140-T283 WeakPolarHBondContact CA-OG1 3.46Å; Y140-N285 HydrophobicContact CD2-CB 3.58Å; Y140-N285 HydrophobicContact CE2-CB 3.86Å; Y140-N285 HydrophobicContact CG-CB 4.5Å
141	D	98.5	Very high	97.8	Very high	72 Å²	72	37.1 Å²	37.1	39%	0.385	21%	0.211	S	C	.	.	S	Bend	trans	-58.4	-35.1	178.3	-58.9	-57.3	0	0	0	111.7	K166 T283	D141-K166 VanDerWaalsContact O-CD 3.23Å; D141-K166 WeakPolarHBondContact O-CD 3.48Å; D141-K166 WeakPolarHBondContact O-CE 3.19Å; D141-K166 PolarHBondContact O-NZ 3.13Å; D141-T283 WeakPolarHBondContact CB-O 3.38Å; D141-T283 VanDerWaalsContact CG-OG1 3.28Å; D141-T283 PolarHBondContact N-O 2.98Å; D141-T283 PolarHBondContact N-OG1 3.2Å; D141-T283 PolarHBondContact OD2-N 3.21Å; D141-T283 PolarHBondContact OD2-OG1 2.95Å
142	Y	98.8	Very high	97.9	Very high	30 Å²	30	37.2 Å²	37.2	12%	0.118	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.5	-178.7	-59	-80.9	0	0	0	112.1	Y140 L144 I145 K166 A168 I282 T283 G284 N285	Y140-Y142 PolarHBondContact O-N 3.49Å; Y142-L144 VanDerWaalsContact C-N 3.34Å; Y142-I145 HydrophobicContact CD2-CD1 4.44Å; Y142-I145 HydrophobicContact CD2-CG1 4.19Å; Y142-I145 HydrophobicContact CG-CG1 4.42Å; Y142-K166 CarbonylContact C-O 3.56Å; Y142-K166 WeakPolarHBondContact CA-O 3.32Å; Y142-K166 WeakPolarHBondContact CB-O 3.5Å; Y142-K166 HydrophobicContact CD1-CD 4.48Å; Y142-K166 HydrophobicContact CD1-CG 3.94Å; Y142-K166 HydrophobicContact CE1-CG 4.44Å; Y142-A168 HydrophobicContact CD1-CB 3.77Å; Y142-A168 HydrophobicContact CD2-CB 3.92Å; Y142-A168 HydrophobicContact CE1-CB 3.79Å; Y142-A168 HydrophobicContact CE2-CB 3.93Å; Y142-A168 HydrophobicContact CG-CB 3.85Å; Y142-I282 HydrophobicContact CD2-CD1 4.31Å; Y142-I282 HydrophobicContact CE2-CB 4.23Å; Y142-I282 HydrophobicContact CE2-CD1 4.09Å; Y142-I282 HydrophobicContact CE2-CG2 4.32Å; Y142-T283 PolarHBondContact N-O 3.44Å; Y142-G284 VanDerWaalsContact O-CA 3.32Å; Y142-G284 WeakPolarHBondContact O-CA 3.48Å; Y142-N285 PolarHBondContact O-N 2.82Å
143	D	98.9	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-34.7	166.6	-64.7	-60.5	0	0	0	110.7	A53 R112 A165 K166 K286 F491	A53-D143 HydrophobicContact CB-CB 4.35Å; R112-D143 IonicContact CZ-OD1 2.88Å; R112-D143 IonicContact CZ-OD2 2.67Å; R112-D143 IonicContact NE-OD1 3.74Å; R112-D143 PolarHBondContact NE-OD1 3.15Å; R112-D143 IonicContact NE-OD2 3.09Å; R112-D143 IonicContact NH2-OD1 2.82Å; R112-D143 PolarHBondContact NH2-OD1 2.95Å; R112-D143 IonicContact NH2-OD2 3.9Å; R112-D143 PolarHBondContact NH2-OD2 2.97Å; D143-A165 HydrophobicContact CB-CB 4.04Å; D143-K166 PolarHBondContact N-O 3.29Å; D143-K166 WeakPolarHBondContact OD2-CB 3.14Å; D143-K166 PolarHBondContact OD2-N 3.22Å; D143-K286 PolarHBondContact O-N 3.48Å; D143-F491 HydrophobicContact CB-CE1 4.22Å
144	L	98.9	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.6	180	176.9	62.6	0	0	0	111.6	Y142 V146 A160 K166 T167 A168 K286 I288 F491	Y142-L144 VanDerWaalsContact C-N 3.34Å; L144-V146 HydrophobicContact CD1-CG2 4.19Å; L144-V146 HydrophobicContact CD2-CG2 3.69Å; L144-V146 HydrophobicContact CG-CG2 3.79Å; L144-A160 HydrophobicContact CD2-CB 3.59Å; L144-K166 PolarHBondContact N-O 3.03Å; L144-T167 HydrophobicContact CB-CG2 4.24Å; L144-T167 HydrophobicContact CD2-CG2 3.95Å; L144-T167 HydrophobicContact CG-CG2 4.17Å; L144-T167 WeakPolarHBondContact O-CA 3.23Å; L144-A168 PolarHBondContact O-N 3.33Å; L144-K286 WeakPolarHBondContact CA-O 3.36Å; L144-K286 HydrophobicContact CD1-CB 4.29Å; L144-I288 HydrophobicContact CD1-CB 4.22Å; L144-I288 HydrophobicContact CD1-CD1 3.64Å; L144-I288 HydrophobicContact CD1-CG1 3.66Å; L144-I288 HydrophobicContact CD2-CD1 4.07Å; L144-I288 HydrophobicContact CG-CD1 4.5Å; L144-F491 HydrophobicContact CB-CE2 4.21Å; L144-F491 HydrophobicContact CB-CZ 3.94Å; L144-F491 HydrophobicContact CD2-CE2 4.1Å
145	I	98.9	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.5	161.8	-58.5	171.2	0	0	0	108.6	Y142 I147 A168 L170 V270 I282 K286 I287 I288	Y142-I145 HydrophobicContact CD2-CD1 4.44Å; Y142-I145 HydrophobicContact CD2-CG1 4.19Å; Y142-I145 HydrophobicContact CG-CG1 4.42Å; I145-I147 HydrophobicContact CG2-CG1 4.35Å; I145-A168 WeakPolarHBondContact CA-O 3.23Å; I145-A168 HydrophobicContact CG1-CB 4.42Å; I145-L170 HydrophobicContact CG2-CD1 3.99Å; I145-L170 HydrophobicContact CG2-CG 4.17Å; I145-V270 HydrophobicContact CB-CG2 4.5Å; I145-V270 HydrophobicContact CD1-CB 4.26Å; I145-V270 HydrophobicContact CD1-CG2 3.97Å; I145-V270 HydrophobicContact CG2-CB 4.49Å; I145-V270 HydrophobicContact CG2-CG2 4.07Å; I145-I282 HydrophobicContact CD1-CB 4.46Å; I145-I282 HydrophobicContact CD1-CD1 3.74Å; I145-I282 HydrophobicContact CD1-CG1 3.8Å; I145-I282 HydrophobicContact CG1-CD1 4.19Å; I145-I282 HydrophobicContact CG2-CD1 4.33Å; I145-K286 PolarHBondContact N-O 3.01Å; I145-I287 HydrophobicContact CB-CD1 3.86Å; I145-I287 HydrophobicContact CD1-CD1 4.08Å; I145-I287 HydrophobicContact CG1-CD1 4.28Å; I145-I287 WeakPolarHBondContact O-CA 3.31Å; I145-I288 PolarHBondContact O-N 2.66Å
146	V	98.9	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.5	173.1	-174.3	0	0	0	0	108.9	L144 A168 V169 L170 I288 A290	L144-V146 HydrophobicContact CD1-CG2 4.19Å; L144-V146 HydrophobicContact CD2-CG2 3.69Å; L144-V146 HydrophobicContact CG-CG2 3.79Å; V146-A168 PolarHBondContact N-O 3.1Å; V146-V169 HydrophobicContact CB-CG2 4.12Å; V146-V169 HydrophobicContact CG2-CG2 4.29Å; V146-L170 PolarHBondContact O-N 3.26Å; V146-I288 CarbonylContact C-O 3.5Å; V146-I288 WeakPolarHBondContact CA-O 3.38Å; V146-I288 HydrophobicContact CG1-CB 4.43Å; V146-I288 HydrophobicContact CG1-CG2 4.28Å; V146-I288 HydrophobicContact CG2-CB 4.33Å; V146-A290 HydrophobicContact CG1-CB 4.21Å
147	I	98.9	Very high	98.5	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.4	175.8	-44.3	-174.7	0	0	0	109	I145 L170 L264 V270 I287 I288 L289 A290 T291 V434	I145-I147 HydrophobicContact CG2-CG1 4.35Å; I147-L170 HydrophobicContact CG1-CD1 4.29Å; I147-L264 HydrophobicContact CD1-CB 4.34Å; I147-V270 HydrophobicContact CD1-CG1 3.84Å; I147-V270 HydrophobicContact CD1-CG2 4.06Å; I147-V270 HydrophobicContact CG1-CG1 4.46Å; I147-I287 HydrophobicContact CD1-CG2 4.31Å; I147-I287 HydrophobicContact CG1-CG2 4.46Å; I147-I288 PolarHBondContact N-O 3.18Å; I147-L289 HydrophobicContact CD1-CD2 4.05Å; I147-A290 CarbonylContact O-C 3.56Å; I147-A290 VanDerWaalsContact O-C 3.3Å; I147-A290 WeakPolarHBondContact O-CA 3.35Å; I147-A290 PolarHBondContact O-N 3.17Å; I147-T291 HydrophobicContact CB-CG2 4.35Å; I147-T291 HydrophobicContact CG2-CG2 3.88Å; I147-T291 VanDerWaalsContact O-CG2 3.26Å; I147-T291 WeakPolarHBondContact O-CG2 3.25Å; I147-T291 PolarHBondContact O-N 3.43Å; I147-V434 HydrophobicContact CG2-CG1 3.97Å
148	G	98.7	Very high	98.6	Very high	9 Å²	9	22.4 Å²	22.4	9%	0.093	12%	0.117	C	C	.	.			trans	119.4	115.1	-177.5	0	0	0	0	0	112	G150 G153 L170	G148-G150 VanDerWaalsContact C-N 3.31Å; G148-G150 PolarHBondContact O-N 3.32Å; G148-G153 WeakPolarHBondContact O-CA 3.42Å; G148-L170 CarbonylContact C-O 3.33Å; G148-L170 VanDerWaalsContact CA-O 3.31Å; G148-L170 WeakPolarHBondContact CA-O 3.47Å; G148-L170 PolarHBondContact N-O 3.19Å
149	G	98.5	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.			trans	-92.8	37.1	-179.7	0	0	0	0	0	113.9	L154 L170 D171 G185 G186	G149-L154 VanDerWaalsContact O-CD1 3.25Å; G149-L154 WeakPolarHBondContact O-CD1 3.41Å; G149-L154 WeakPolarHBondContact O-CG 3.49Å; G149-L170 PolarHBondContact N-O 2.57Å; G149-D171 WeakPolarHBondContact CA-OD1 3.37Å; G149-D171 PolarHBondContact N-OD1 2.54Å; G149-G185 CarbonylContact O-C 3.57Å; G149-G185 WeakPolarHBondContact O-CA 3.25Å; G149-G185 PolarHBondContact O-N 2.97Å; G149-G186 PolarHBondContact O-N 3.27Å
150	G	98.3	Very high	98.7	Very high	12 Å²	12	13 Å²	13	12%	0.124	7%	0.071	C	C	.	.	S	Bend	trans	-89.6	-167.8	175.4	0	0	0	0	0	114.5	G148 G152 G153 L154	G148-G150 VanDerWaalsContact C-N 3.31Å; G148-G150 PolarHBondContact O-N 3.32Å; G150-G152 PolarHBondContact O-N 3.44Å; G150-G153 PolarHBondContact O-N 2.68Å; G150-L154 WeakPolarHBondContact O-CB 3.4Å; G150-L154 WeakPolarHBondContact O-CG 3.39Å; G150-L154 PolarHBondContact O-N 2.84Å
151	S	98.2	Very high	98.7	Very high	21 Å²	21	11.1 Å²	11.1	15%	0.147	6%	0.064	C	C	.	.	H	α-helix	trans	-47.5	-53.1	-179.7	-57.7	0	0	0	0	113.3	A155 T476	S151-A155 VanDerWaalsContact O-CB 3.25Å; S151-A155 WeakPolarHBondContact O-CB 3.39Å; S151-A155 PolarHBondContact O-N 3.16Å; S151-T476 WeakPolarHBondContact OG-CG2 3.45Å; S151-T476 PolarHBondContact OG-OG1 2.96Å
152	G	98.5	Very high	98.7	Very high	6 Å²	6	12.6 Å²	12.6	6%	0.062	7%	0.067	C	C	.	.	H	α-helix	trans	-71.6	-44.7	-179.4	0	0	0	0	0	113.2	G150 A155 A156 I465 A479	G150-G152 PolarHBondContact O-N 3.44Å; G152-A155 PolarHBondContact O-N 3.35Å; G152-A156 WeakPolarHBondContact O-CB 3.29Å; G152-A156 PolarHBondContact O-N 2.95Å; G152-I465 WeakPolarHBondContact O-CD1 3.33Å; G152-A479 VanDerWaalsContact CA-O 3.27Å; G152-A479 WeakPolarHBondContact CA-O 3.39Å
153	G	98.7	Very high	98.7	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-66.6	-42.3	-176.7	0	0	0	0	0	113.5	G148 G150 A155 A156 G157	G148-G153 WeakPolarHBondContact O-CA 3.42Å; G150-G153 PolarHBondContact O-N 2.68Å; G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.94Å; G153-A156 PolarHBondContact O-N 3.46Å; G153-G157 PolarHBondContact O-N 2.93Å
154	L	98.8	Very high	98.7	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-38.5	173.8	-70.1	170.9	0	0	0	112.1	G149 G150 K158 L184 Y246 L250	G149-L154 VanDerWaalsContact O-CD1 3.25Å; G149-L154 WeakPolarHBondContact O-CD1 3.41Å; G149-L154 WeakPolarHBondContact O-CG 3.49Å; G150-L154 WeakPolarHBondContact O-CB 3.4Å; G150-L154 WeakPolarHBondContact O-CG 3.39Å; G150-L154 PolarHBondContact O-N 2.84Å; L154-K158 WeakPolarHBondContact O-CB 3.42Å; L154-K158 WeakPolarHBondContact O-CE 3.41Å; L154-K158 VanDerWaalsContact O-CG 3.32Å; L154-K158 WeakPolarHBondContact O-CG 3.37Å; L154-K158 PolarHBondContact O-N 3.38Å; L154-K158 VanDerWaalsContact O-N 3.1Å; L154-L184 HydrophobicContact CD1-CG 4.44Å; L154-L184 HydrophobicContact CD2-CD1 4.07Å; L154-L184 HydrophobicContact CD2-CD2 4.08Å; L154-L184 HydrophobicContact CD2-CG 4.15Å; L154-Y246 HydrophobicContact CD1-CD1 3.75Å; L154-Y246 HydrophobicContact CD1-CD2 4.26Å; L154-Y246 HydrophobicContact CD1-CE1 4.11Å; L154-Y246 HydrophobicContact CD1-CG 3.84Å; L154-L250 HydrophobicContact CD2-CD1 3.76Å; L154-L250 HydrophobicContact CD2-CD2 3.94Å; L154-L250 HydrophobicContact CD2-CG 4.04Å
155	A	98.8	Very high	98.6	Very high	8 Å²	8	14.2 Å²	14.2	7%	0.066	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-46.5	177.7	0	0	0	0	0	111.8	S151 G152 G153 E159 I480 R484	S151-A155 VanDerWaalsContact O-CB 3.25Å; S151-A155 WeakPolarHBondContact O-CB 3.39Å; S151-A155 PolarHBondContact O-N 3.16Å; G152-A155 PolarHBondContact O-N 3.35Å; G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.94Å; A155-E159 WeakPolarHBondContact O-CB 3.26Å; A155-E159 PolarHBondContact O-N 2.85Å; A155-E159 VanDerWaalsContact O-N 3.09Å; A155-I480 HydrophobicContact CB-CB 4.17Å; A155-I480 HydrophobicContact CB-CG1 4.15Å; A155-I480 HydrophobicContact CB-CG2 3.95Å; A155-R484 HydrophobicContact CB-CG 4.27Å
156	A	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-48.9	176	0	0	0	0	0	111.7	G152 G153 K158 E159 A160 I288 I465 G483	G152-A156 WeakPolarHBondContact O-CB 3.29Å; G152-A156 PolarHBondContact O-N 2.95Å; G153-A156 PolarHBondContact O-N 3.46Å; A156-K158 PolarHBondContact O-N 3.08Å; A156-E159 PolarHBondContact O-N 2.94Å; A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.34Å; A156-A160 PolarHBondContact O-N 3.19Å; A156-I288 HydrophobicContact CB-CD1 3.98Å; A156-I465 HydrophobicContact CB-CD1 3.95Å; A156-G483 WeakPolarHBondContact CA-O 3.45Å
157	G	98.7	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-44.4	-177.3	0	0	0	0	0	113.1	G153 A161	G153-G157 PolarHBondContact O-N 2.93Å; G157-A161 WeakPolarHBondContact O-CB 3.45Å; G157-A161 PolarHBondContact O-N 3.29Å
158	K	98.7	Very high	98.6	Very high	52 Å²	52	18.4 Å²	18.4	23%	0.226	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-44	176.2	-73.4	-177.5	-66.9	-178.7	0	112.3	L154 A156 K162 A249 L250	L154-K158 WeakPolarHBondContact O-CB 3.42Å; L154-K158 WeakPolarHBondContact O-CE 3.41Å; L154-K158 VanDerWaalsContact O-CG 3.32Å; L154-K158 WeakPolarHBondContact O-CG 3.37Å; L154-K158 PolarHBondContact O-N 3.38Å; L154-K158 VanDerWaalsContact O-N 3.1Å; A156-K158 PolarHBondContact O-N 3.08Å; K158-K162 WeakPolarHBondContact O-CG 3.36Å; K158-K162 PolarHBondContact O-N 3.3Å; K158-A249 HydrophobicContact CD-CB 4.13Å; K158-L250 HydrophobicContact CD-CD2 4.47Å; K158-L250 HydrophobicContact CG-CD2 3.8Å
159	E	98.8	Very high	98.7	Very high	12 Å²	12	18 Å²	18	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-69.9	-39.5	-177.5	-168	73	164.9	0	0	111.5	A155 A156 A161 K162 Y163 R484 A487 R488	A155-E159 WeakPolarHBondContact O-CB 3.26Å; A155-E159 PolarHBondContact O-N 2.85Å; A155-E159 VanDerWaalsContact O-N 3.09Å; A156-E159 PolarHBondContact O-N 2.94Å; E159-A161 PolarHBondContact O-N 2.96Å; E159-K162 WeakPolarHBondContact O-CB 3.32Å; E159-K162 PolarHBondContact O-N 3.2Å; E159-K162 IonicContact OE1-NZ 2.83Å; E159-K162 WeakPolarHBondContact OE2-CD 3.24Å; E159-K162 IonicContact OE2-NZ 2.57Å; E159-K162 PolarHBondContact OE2-NZ 3.17Å; E159-Y163 HydrophobicContact CG-CE2 4.06Å; E159-Y163 WeakPolarHBondContact O-CD2 3.27Å; E159-Y163 WeakPolarHBondContact O-CE2 3.16Å; E159-Y163 PolarHBondContact OE1-OH 3.49Å; E159-R484 HydrophobicContact CB-CG 4.23Å; E159-R484 HydrophobicContact CG-CB 4.3Å; E159-R484 HydrophobicContact CG-CG 4.34Å; E159-A487 HydrophobicContact CB-CB 3.95Å; E159-A487 HydrophobicContact CG-CB 4.15Å; E159-R488 HydrophobicContact CG-CG 4.2Å; E159-R488 IonicContact OE1-CZ 2.91Å; E159-R488 VanDerWaalsContact OE1-CZ 3.29Å; E159-R488 IonicContact OE1-NE 3.53Å; E159-R488 PolarHBondContact OE1-NE 3.36Å; E159-R488 IonicContact OE1-NH2 2.81Å; E159-R488 PolarHBondContact OE1-NH2 3.22Å
160	A	98.8	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-44.9	175.3	0	0	0	0	0	112.1	L144 A156 K162 Y163 A165 A487 F491	L144-A160 HydrophobicContact CD2-CB 3.59Å; A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.34Å; A156-A160 PolarHBondContact O-N 3.19Å; A160-K162 PolarHBondContact O-N 3.01Å; A160-Y163 PolarHBondContact O-N 2.91Å; A160-A165 HydrophobicContact CB-CB 4.21Å; A160-A165 WeakPolarHBondContact O-CB 3.39Å; A160-A487 HydrophobicContact CB-CB 4.01Å; A160-F491 HydrophobicContact CB-CD2 3.6Å; A160-F491 HydrophobicContact CB-CE2 3.71Å
161	A	98.7	Very high	98.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-65.6	-20.3	-178.1	0	0	0	0	0	114.2	K78 G157 E159 Y163 G164 N253 V255	K78-A161 WeakPolarHBondContact CD-O 3.14Å; K78-A161 VanDerWaalsContact CE-O 3.31Å; K78-A161 WeakPolarHBondContact CE-O 3.48Å; K78-A161 PolarHBondContact NZ-O 3.13Å; G157-A161 WeakPolarHBondContact O-CB 3.45Å; G157-A161 PolarHBondContact O-N 3.29Å; E159-A161 PolarHBondContact O-N 2.96Å; A161-Y163 PolarHBondContact O-N 3.02Å; A161-G164 PolarHBondContact O-N 3.33Å; A161-N253 HydrophobicContact CB-CB 4.33Å; A161-N253 WeakPolarHBondContact CB-O 3.3Å; A161-V255 HydrophobicContact CB-CG2 3.52Å
162	K	98.5	Very high	98.7	Very high	104 Å²	104	21.6 Å²	21.6	45%	0.452	10%	0.102	S	C	.	.	H	α-helix	trans	-68.1	-25	172.5	-71.7	168.2	62.7	-167.5	0	112.6	K158 E159 A160	K158-K162 WeakPolarHBondContact O-CG 3.36Å; K158-K162 PolarHBondContact O-N 3.3Å; E159-K162 WeakPolarHBondContact O-CB 3.32Å; E159-K162 PolarHBondContact O-N 3.2Å; E159-K162 IonicContact OE1-NZ 2.83Å; E159-K162 WeakPolarHBondContact OE2-CD 3.24Å; E159-K162 IonicContact OE2-NZ 2.57Å; E159-K162 PolarHBondContact OE2-NZ 3.17Å; A160-K162 PolarHBondContact O-N 3.01Å
163	Y	98.6	Very high	98.7	Very high	44 Å²	44	22.1 Å²	22.1	17%	0.173	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15	-179.7	-55.2	-59.3	0	0	0	113.5	A80 E159 A160 A161 A165 R488 F491 A492	A80-Y163 HydrophobicContact CB-CD1 4.01Å; A80-Y163 HydrophobicContact CB-CG 4.4Å; E159-Y163 HydrophobicContact CG-CE2 4.06Å; E159-Y163 WeakPolarHBondContact O-CD2 3.27Å; E159-Y163 WeakPolarHBondContact O-CE2 3.16Å; E159-Y163 PolarHBondContact OE1-OH 3.49Å; A160-Y163 PolarHBondContact O-N 2.91Å; A161-Y163 PolarHBondContact O-N 3.02Å; Y163-A165 VanDerWaalsContact C-N 3.35Å; Y163-R488 HydrophobicContact CE2-CG 3.88Å; Y163-R488 WeakPolarHBondContact OH-CG 3.3Å; Y163-F491 HydrophobicContact CD2-CB 4.29Å; Y163-F491 HydrophobicContact CG-CB 4.5Å; Y163-A492 HydrophobicContact CD1-CB 3.77Å; Y163-A492 HydrophobicContact CD2-CB 3.92Å; Y163-A492 HydrophobicContact CE1-CB 3.69Å; Y163-A492 HydrophobicContact CE2-CB 3.84Å; Y163-A492 HydrophobicContact CG-CB 3.89Å
164	G	98.1	Very high	98.7	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.8	178.5	0	0	0	0	0	115.1	K78 A161 K166	K78-G164 WeakPolarHBondContact O-CA 3.33Å; A161-G164 PolarHBondContact O-N 3.33Å; G164-K166 PolarHBondContact O-N 3.36Å
165	A	98.7	Very high	98.7	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.033	13%	0.133	C	C	.	.			trans	-67.2	118.7	175.1	0	0	0	0	0	110.8	A53 D143 A160 Y163 T167 F491	A53-A165 VanDerWaalsContact CB-CA 3.49Å; A53-A165 HydrophobicContact CB-CB 4.04Å; D143-A165 HydrophobicContact CB-CB 4.04Å; A160-A165 HydrophobicContact CB-CB 4.21Å; A160-A165 WeakPolarHBondContact O-CB 3.39Å; Y163-A165 VanDerWaalsContact C-N 3.35Å; A165-T167 PolarHBondContact O-N 3.13Å; A165-T167 VanDerWaalsContact O-N 3.1Å; A165-T167 PolarHBondContact O-OG1 3.31Å; A165-F491 HydrophobicContact CB-CD1 3.76Å; A165-F491 HydrophobicContact CB-CD2 4Å; A165-F491 HydrophobicContact CB-CE1 3.9Å; A165-F491 HydrophobicContact CB-CE2 4.14Å; A165-F491 HydrophobicContact CB-CG 3.81Å; A165-F491 HydrophobicContact CB-CZ 4.09Å
166	K	98.8	Very high	98.6	Very high	93 Å²	93	27.5 Å²	27.5	40%	0.404	13%	0.133	S	C	.	.			trans	-67.2	111.1	173.4	-168.4	179.3	173.4	-160	0	108.3	D141 Y142 D143 L144 G164	D141-K166 VanDerWaalsContact O-CD 3.23Å; D141-K166 WeakPolarHBondContact O-CD 3.48Å; D141-K166 WeakPolarHBondContact O-CE 3.19Å; D141-K166 PolarHBondContact O-NZ 3.13Å; Y142-K166 CarbonylContact C-O 3.56Å; Y142-K166 WeakPolarHBondContact CA-O 3.32Å; Y142-K166 WeakPolarHBondContact CB-O 3.5Å; Y142-K166 HydrophobicContact CD1-CD 4.48Å; Y142-K166 HydrophobicContact CD1-CG 3.94Å; Y142-K166 HydrophobicContact CE1-CG 4.44Å; D143-K166 PolarHBondContact N-O 3.29Å; D143-K166 WeakPolarHBondContact OD2-CB 3.14Å; D143-K166 PolarHBondContact OD2-N 3.22Å; L144-K166 PolarHBondContact N-O 3.03Å; G164-K166 PolarHBondContact O-N 3.36Å
167	T	98.9	Very high	98.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	-164.8	-58.8	0	0	0	0	111.6	L144 A165 V169 V255 T256	L144-T167 HydrophobicContact CB-CG2 4.24Å; L144-T167 HydrophobicContact CD2-CG2 3.95Å; L144-T167 HydrophobicContact CG-CG2 4.17Å; L144-T167 WeakPolarHBondContact O-CA 3.23Å; A165-T167 PolarHBondContact O-N 3.13Å; A165-T167 VanDerWaalsContact O-N 3.1Å; A165-T167 PolarHBondContact O-OG1 3.31Å; T167-V169 HydrophobicContact CG2-CG2 4.39Å; T167-V255 HydrophobicContact CG2-CG1 4.04Å; T167-T256 PolarHBondContact O-N 3.48Å
168	A	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.3	165.8	0	0	0	0	0	110.5	Y142 L144 I145 V146 T256 I282	Y142-A168 HydrophobicContact CD1-CB 3.77Å; Y142-A168 HydrophobicContact CD2-CB 3.92Å; Y142-A168 HydrophobicContact CE1-CB 3.79Å; Y142-A168 HydrophobicContact CE2-CB 3.93Å; Y142-A168 HydrophobicContact CG-CB 3.85Å; L144-A168 PolarHBondContact O-N 3.33Å; I145-A168 WeakPolarHBondContact CA-O 3.23Å; I145-A168 HydrophobicContact CG1-CB 4.42Å; V146-A168 PolarHBondContact N-O 3.1Å; A168-T256 CarbonylContact C-O 3.57Å; A168-T256 VanDerWaalsContact CA-O 3.3Å; A168-T256 WeakPolarHBondContact CA-O 3.41Å; A168-I282 HydrophobicContact CB-CD1 4.43Å
169	V	98.9	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.6	170.8	174.4	0	0	0	0	108	V146 T167 L250 V255 T256 L258	V146-V169 HydrophobicContact CB-CG2 4.12Å; V146-V169 HydrophobicContact CG2-CG2 4.29Å; T167-V169 HydrophobicContact CG2-CG2 4.39Å; V169-L250 HydrophobicContact CB-CD1 4.31Å; V169-L250 HydrophobicContact CG1-CD1 4.41Å; V169-L250 HydrophobicContact CG2-CD2 4.47Å; V169-V255 HydrophobicContact CB-CG1 4.12Å; V169-V255 HydrophobicContact CG2-CG1 3.57Å; V169-T256 PolarHBondContact N-O 3.36Å; V169-L258 PolarHBondContact O-N 3.41Å
170	L	98.9	Very high	98.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.5	174.5	-50.2	-178.3	0	0	0	108.9	I145 V146 I147 G148 G149 L258 V270 I272 I282	I145-L170 HydrophobicContact CG2-CD1 3.99Å; I145-L170 HydrophobicContact CG2-CG 4.17Å; V146-L170 PolarHBondContact O-N 3.26Å; I147-L170 HydrophobicContact CG1-CD1 4.29Å; G148-L170 CarbonylContact C-O 3.33Å; G148-L170 VanDerWaalsContact CA-O 3.31Å; G148-L170 WeakPolarHBondContact CA-O 3.47Å; G148-L170 PolarHBondContact N-O 3.19Å; G149-L170 PolarHBondContact N-O 2.57Å; L170-L258 WeakPolarHBondContact CA-O 3.44Å; L170-L258 HydrophobicContact CD2-CB 3.65Å; L170-L258 HydrophobicContact CD2-CD1 3.61Å; L170-L258 HydrophobicContact CD2-CG 4.08Å; L170-V270 HydrophobicContact CD1-CG1 3.63Å; L170-I272 HydrophobicContact CD1-CG2 3.59Å; L170-I272 HydrophobicContact CD2-CG2 3.92Å; L170-I272 HydrophobicContact CG-CG2 4.43Å; L170-I282 HydrophobicContact CD2-CD1 4.19Å
171	D	98.8	Very high	98.5	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.1	169.1	-161.1	41.9	0	0	0	109.8	G149 L184 Y257 L258 N259 A260	G149-D171 WeakPolarHBondContact CA-OD1 3.37Å; G149-D171 PolarHBondContact N-OD1 2.54Å; D171-L184 HydrophobicContact CB-CD1 3.76Å; D171-L184 WeakPolarHBondContact OD2-CD1 3.22Å; D171-Y257 HydrophobicContact CB-CE2 3.81Å; D171-L258 PolarHBondContact N-O 2.97Å; D171-L258 VanDerWaalsContact N-O 3.08Å; D171-N259 CarbonylContact O-C 3.49Å; D171-N259 VanDerWaalsContact O-CA 3.27Å; D171-N259 WeakPolarHBondContact O-CA 3.45Å; D171-N259 PolarHBondContact O-OD1 3.21Å; D171-A260 PolarHBondContact O-N 2.9Å
172	Y	98.5	Very high	98.5	Very high	92 Å²	92	41.1 Å²	41.1	36%	0.361	22%	0.223	S	C	.	.			trans	-152	125	173.3	172.9	-98.8	0	0	0	108.8	E174 K261	Y172-E174 HydrophobicContact CD1-CB 4.45Å; Y172-E174 HydrophobicContact CE1-CB 3.89Å; Y172-E174 HydrophobicContact CE1-CG 4.43Å; Y172-K261 HydrophobicContact CD1-CB 3.87Å; Y172-K261 HydrophobicContact CD1-CD 3.88Å; Y172-K261 HydrophobicContact CD1-CG 4Å; Y172-K261 HydrophobicContact CD2-CB 4.49Å; Y172-K261 HydrophobicContact CE1-CB 4.49Å; Y172-K261 HydrophobicContact CE1-CD 3.97Å; Y172-K261 HydrophobicContact CG-CB 3.86Å; Y172-K261 HydrophobicContact CG-CG 4.45Å
173	V	98.5	Very high	98.5	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.097	21%	0.214	C	C	.	.			trans	-99	98.4	179.9	-178.4	0	0	0	0	108.4	P175 T181 W182	V173-P175 WeakPolarHBondContact O-CD 3.47Å; V173-T181 WeakPolarHBondContact CG1-OG1 3.18Å; V173-T181 PolarHBondContact O-OG1 3.1Å; V173-W182 HydrophobicContact CG1-CD2 3.63Å; V173-W182 HydrophobicContact CG1-CE3 4.07Å; V173-W182 HydrophobicContact CG1-CG 4.05Å; V173-W182 HydrophobicContact CG1-CH2 4.09Å; V173-W182 HydrophobicContact CG1-CZ2 3.65Å; V173-W182 HydrophobicContact CG1-CZ3 4.27Å; V173-W182 HydrophobicContact CG2-CG 4.42Å
174	E	98	Very high	98.5	Very high	55 Å²	55	35.3 Å²	35.3	26%	0.257	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-60.6	122.4	171.1	-169.4	167.5	141.6	0	0	109.1	Y172 K261 R294 K433	Y172-E174 HydrophobicContact CD1-CB 4.45Å; Y172-E174 HydrophobicContact CE1-CB 3.89Å; Y172-E174 HydrophobicContact CE1-CG 4.43Å; E174-K261 IonicContact OE2-NZ 3.57Å; E174-K261 PolarHBondContact OE2-NZ 3.39Å; E174-R294 PolarHBondContact O-NH1 2.92Å; E174-R294 PolarHBondContact O-NH2 2.83Å; E174-K433 IonicContact OE1-NZ 3.42Å; E174-K433 PolarHBondContact OE1-NZ 3.17Å; E174-K433 IonicContact OE2-NZ 2.54Å; E174-K433 PolarHBondContact OE2-NZ 2.95Å
175	P	98.4	Very high	98.5	Very high	59 Å²	59	34.5 Å²	34.5	38%	0.383	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-57.7	152.4	-178.2	-25.3	34.5	0	0	0	112.6	V173 T180	V173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-T180 CarbonylContact C-O 3.56Å; P175-T180 VanDerWaalsContact CA-O 3.22Å; P175-T180 WeakPolarHBondContact CA-O 3.18Å
176	T	98.6	Very high	98.5	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-68.9	170.1	170.1	69.7	0	0	0	0	110.5	I178 G179 T180 W182 D311 D312	T176-I178 PolarHBondContact O-N 3.43Å; T176-I178 VanDerWaalsContact O-N 3.16Å; T176-I178 WeakPolarHBondContact OG1-CG1 3.45Å; T176-G179 WeakPolarHBondContact O-CA 3.13Å; T176-G179 PolarHBondContact O-N 3.42Å; T176-T180 PolarHBondContact N-O 2.88Å; T176-T180 VanDerWaalsContact OG1-CB 3.23Å; T176-T180 WeakPolarHBondContact OG1-CB 3.4Å; T176-T180 PolarHBondContact OG1-N 3.08Å; T176-T180 PolarHBondContact OG1-OG1 2.99Å; T176-W182 HydrophobicContact CG2-CZ3 4.3Å; T176-D311 HydrophobicContact CG2-CB 3.68Å; T176-D312 WeakPolarHBondContact CB-OD1 3.25Å; T176-D312 VanDerWaalsContact CG2-OD1 3.29Å; T176-D312 WeakPolarHBondContact CG2-OD1 3.39Å; T176-D312 PolarHBondContact OG1-OD1 2.96Å
177	P	98.4	Very high	98.5	Very high	71 Å²	71	32.2 Å²	32.2	46%	0.461	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.1	177.4	-29.2	37.6	0	0	0	114.5	G179 Y297 V304	P177-G179 VanDerWaalsContact C-N 3.32Å; P177-Y297 HydrophobicContact CG-CE2 4.01Å; P177-V304 HydrophobicContact CB-CG1 3.68Å; P177-V304 WeakPolarHBondContact CB-O 3.48Å; P177-V304 HydrophobicContact CG-CG1 3.71Å
178	I	97.6	Very high	98.4	Very high	87 Å²	87	32.8 Å²	32.8	45%	0.446	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.1	176.6	67.2	167.2	0	0	0	113.6	T176 T180 I308 D312	T176-I178 PolarHBondContact O-N 3.43Å; T176-I178 VanDerWaalsContact O-N 3.16Å; T176-I178 WeakPolarHBondContact OG1-CG1 3.45Å; I178-T180 WeakPolarHBondContact CG1-OG1 3.26Å; I178-I308 HydrophobicContact CD1-CG2 4.21Å; I178-D312 HydrophobicContact CD1-CB 3.96Å; I178-D312 WeakPolarHBondContact CD1-OD1 3.43Å; I178-D312 VanDerWaalsContact CG1-OD1 3.28Å; I178-D312 WeakPolarHBondContact CG1-OD1 3.48Å
179	G	98	Very high	98.4	Very high	47 Å²	47	33 Å²	33	49%	0.485	20%	0.199	S	C	.	.			trans	92.3	6.7	175.7	0	0	0	0	0	115.7	T176 P177 T181	T176-G179 WeakPolarHBondContact O-CA 3.13Å; T176-G179 PolarHBondContact O-N 3.42Å; P177-G179 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 3.39Å
180	T	98.4	Very high	98.4	Very high	22 Å²	22	33.2 Å²	33.2	14%	0.135	20%	0.199	C	C	.	.			trans	-64.4	132.9	178.9	-48.3	0	0	0	0	110.8	P175 T176 I178 D312 S315	P175-T180 CarbonylContact C-O 3.56Å; P175-T180 VanDerWaalsContact CA-O 3.22Å; P175-T180 WeakPolarHBondContact CA-O 3.18Å; T176-T180 PolarHBondContact N-O 2.88Å; T176-T180 VanDerWaalsContact OG1-CB 3.23Å; T176-T180 WeakPolarHBondContact OG1-CB 3.4Å; T176-T180 PolarHBondContact OG1-N 3.08Å; T176-T180 PolarHBondContact OG1-OG1 2.99Å; I178-T180 WeakPolarHBondContact CG1-OG1 3.26Å; T180-D312 WeakPolarHBondContact CB-OD1 3.44Å; T180-D312 PolarHBondContact OG1-OD1 3.18Å; T180-S315 VanDerWaalsContact CG2-OG 3.32Å; T180-S315 WeakPolarHBondContact CG2-OG 3.44Å
181	T	98.5	Very high	98.4	Very high	84 Å²	84	33.3 Å²	33.3	52%	0.515	20%	0.2	S	C	.	.			trans	-142.5	169.1	173.6	-166.8	0	0	0	0	110.2	V173 G179	V173-T181 WeakPolarHBondContact CG1-OG1 3.18Å; V173-T181 PolarHBondContact O-OG1 3.1Å; G179-T181 PolarHBondContact O-N 3.39Å
182	W	98.7	Very high	98.4	Very high	41 Å²	41	33.3 Å²	33.3	16%	0.155	20%	0.204	C	C	.	.			trans	-151.9	175.8	-175.9	55.6	76.6	0	0	0	112.3	V173 T176 N190 V191 D311	V173-W182 HydrophobicContact CG1-CD2 3.63Å; V173-W182 HydrophobicContact CG1-CE3 4.07Å; V173-W182 HydrophobicContact CG1-CG 4.05Å; V173-W182 HydrophobicContact CG1-CH2 4.09Å; V173-W182 HydrophobicContact CG1-CZ2 3.65Å; V173-W182 HydrophobicContact CG1-CZ3 4.27Å; V173-W182 HydrophobicContact CG2-CG 4.42Å; T176-W182 HydrophobicContact CG2-CZ3 4.3Å; W182-N190 HydrophobicContact CB-CB 3.69Å; W182-N190 HydrophobicContact CD2-CB 3.97Å; W182-N190 HydrophobicContact CG-CB 3.34Å; W182-V191 HydrophobicContact CD2-CG1 3.91Å; W182-V191 HydrophobicContact CD2-CG2 4.43Å; W182-V191 HydrophobicContact CE3-CG1 3.53Å; W182-V191 HydrophobicContact CH2-CG1 4.1Å; W182-V191 HydrophobicContact CH2-CG2 3.77Å; W182-V191 HydrophobicContact CZ2-CG1 4.44Å; W182-V191 HydrophobicContact CZ2-CG2 3.67Å; W182-V191 HydrophobicContact CZ3-CG1 3.65Å; W182-V191 HydrophobicContact CZ3-CG2 4.21Å; W182-D311 HydrophobicContact CH2-CB 3.86Å; W182-D311 WeakPolarHBondContact CH2-OD2 3.33Å; W182-D311 HydrophobicContact CZ3-CB 3.88Å
183	G	98.1	Very high	98.3	Very high	24 Å²	24	31.5 Å²	31.5	25%	0.247	20%	0.204	C	C	.	.			trans	-87.1	-177.4	-177	0	0	0	0	0	115.3	N190 N243	G183-N190 PolarHBondContact O-ND2 2.99Å; G183-N190 PolarHBondContact O-OD1 2.9Å; G183-N243 WeakPolarHBondContact CA-OD1 3.42Å
184	L	98.6	Very high	98.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	139.3	179.3	-176.7	64.8	0	0	0	112.4	L154 D171 N243 K247 L250 Y257	L154-L184 HydrophobicContact CD1-CG 4.44Å; L154-L184 HydrophobicContact CD2-CD1 4.07Å; L154-L184 HydrophobicContact CD2-CD2 4.08Å; L154-L184 HydrophobicContact CD2-CG 4.15Å; D171-L184 HydrophobicContact CB-CD1 3.76Å; D171-L184 WeakPolarHBondContact OD2-CD1 3.22Å; L184-N243 WeakPolarHBondContact O-CA 3.32Å; L184-N243 PolarHBondContact O-ND2 3.42Å; L184-K247 HydrophobicContact CB-CG 4.26Å; L184-K247 HydrophobicContact CD2-CG 3.69Å; L184-L250 HydrophobicContact CD2-CD1 3.77Å; L184-Y257 HydrophobicContact CD1-CD2 4.28Å; L184-Y257 HydrophobicContact CD1-CE2 3.64Å; L184-Y257 HydrophobicContact CD2-CD1 4.5Å; L184-Y257 HydrophobicContact CD2-CD2 4.28Å; L184-Y257 HydrophobicContact CD2-CE1 4.36Å; L184-Y257 HydrophobicContact CD2-CE2 4.17Å; L184-Y257 HydrophobicContact CD2-CG 4.46Å; L184-Y257 HydrophobicContact CG-CE2 4.4Å
185	G	98.3	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	139.5	-17	-180	0	0	0	0	0	113.8	G149 V189	G149-G185 CarbonylContact O-C 3.57Å; G149-G185 WeakPolarHBondContact O-CA 3.25Å; G149-G185 PolarHBondContact O-N 2.97Å; G185-V189 WeakPolarHBondContact O-CG2 3.15Å
186	G	98.4	Very high	98.4	Very high	11 Å²	11	28.8 Å²	28.8	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	68.4	-164.2	-177.1	0	0	0	0	0	114	G149 C188 V189 N190	G149-G186 PolarHBondContact O-N 3.27Å; G186-C188 PolarHBondContact O-N 3.21Å; G186-V189 PolarHBondContact O-N 3.21Å; G186-N190 PolarHBondContact O-N 3.24Å; G186-N190 PolarHBondContact O-ND2 3.42Å
187	T	98.6	Very high	98.4	Very high	38 Å²	38	32.3 Å²	32.3	23%	0.233	20%	0.201	C	C	.	.	H	α-helix	trans	-55.6	-51.7	-171	-51.2	0	0	0	0	112.8	V189 N190 V191 G192	T187-V189 VanDerWaalsContact C-N 3.32Å; T187-V189 PolarHBondContact O-N 3.34Å; T187-N190 PolarHBondContact O-N 3.49Å; T187-V191 HydrophobicContact CG2-CG2 4.08Å; T187-V191 CarbonylContact O-C 3.3Å; T187-V191 WeakPolarHBondContact O-CA 3.47Å; T187-V191 PolarHBondContact O-N 2.69Å; T187-G192 WeakPolarHBondContact O-CA 3.5Å; T187-G192 PolarHBondContact O-N 2.93Å
188	C	98.2	Very high	98.4	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.088	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-37.6	-171.5	-175.7	0	0	0	0	113.5	G186 G192 C193 I194 T476	G186-C188 PolarHBondContact O-N 3.21Å; C188-G192 CarbonylContact O-C 3.57Å; C188-C193 HydrophobicContact CB-CB 4.34Å; C188-C193 WeakPolarHBondContact CB-SG 3.36Å; C188-C193 PolarHBondContact O-N 2.8Å; C188-C193 VanDerWaalsContact O-N 3.16Å; C188-C193 WeakPolarHBondContact SG-CB 3.44Å; C188-C193 CovalentContact SG-SG 2.05Å; C188-C193 PolarHBondContact SG-SG 3.06Å; C188-I194 WeakPolarHBondContact O-CG1 3.42Å; C188-I194 PolarHBondContact O-N 3.25Å; C188-T476 WeakPolarHBondContact CB-OG1 3.38Å; C188-T476 PolarHBondContact SG-OG1 2.82Å
189	V	98.4	Very high	98.4	Very high	5 Å²	5	28 Å²	28	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-72.6	-44.1	-178.8	173.5	0	0	0	0	110.9	G185 G186 T187 I239 L242 Y246	G185-V189 WeakPolarHBondContact O-CG2 3.15Å; G186-V189 PolarHBondContact O-N 3.21Å; T187-V189 VanDerWaalsContact C-N 3.32Å; T187-V189 PolarHBondContact O-N 3.34Å; V189-I239 WeakPolarHBondContact O-CG1 3.44Å; V189-L242 HydrophobicContact CG1-CB 3.81Å; V189-L242 HydrophobicContact CG1-CD1 3.96Å; V189-Y246 HydrophobicContact CG1-CE2 4.24Å; V189-Y246 HydrophobicContact CG2-CD2 4.43Å; V189-Y246 HydrophobicContact CG2-CE2 3.55Å
190	N	98.8	Very high	98.5	Very high	3 Å²	3	26 Å²	26	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-100.1	-38	-167.2	-61.4	-79.7	0	0	0	114.1	W182 G183 G186 T187 I239 N243	W182-N190 HydrophobicContact CB-CB 3.69Å; W182-N190 HydrophobicContact CD2-CB 3.97Å; W182-N190 HydrophobicContact CG-CB 3.34Å; G183-N190 PolarHBondContact O-ND2 2.99Å; G183-N190 PolarHBondContact O-OD1 2.9Å; G186-N190 PolarHBondContact O-N 3.24Å; G186-N190 PolarHBondContact O-ND2 3.42Å; T187-N190 PolarHBondContact O-N 3.49Å; N190-I239 HydrophobicContact CB-CG2 4.47Å; N190-I239 WeakPolarHBondContact OD1-CG2 3.29Å; N190-N243 PolarHBondContact OD1-ND2 2.58Å
191	V	98.6	Very high	98.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-143.1	33.1	-168.6	-65.4	0	0	0	0	112.5	W182 T187 D311 F314	W182-V191 HydrophobicContact CD2-CG1 3.91Å; W182-V191 HydrophobicContact CD2-CG2 4.43Å; W182-V191 HydrophobicContact CE3-CG1 3.53Å; W182-V191 HydrophobicContact CH2-CG1 4.1Å; W182-V191 HydrophobicContact CH2-CG2 3.77Å; W182-V191 HydrophobicContact CZ2-CG1 4.44Å; W182-V191 HydrophobicContact CZ2-CG2 3.67Å; W182-V191 HydrophobicContact CZ3-CG1 3.65Å; W182-V191 HydrophobicContact CZ3-CG2 4.21Å; T187-V191 HydrophobicContact CG2-CG2 4.08Å; T187-V191 CarbonylContact O-C 3.3Å; T187-V191 WeakPolarHBondContact O-CA 3.47Å; T187-V191 PolarHBondContact O-N 2.69Å; V191-D311 WeakPolarHBondContact CG1-O 3.17Å; V191-F314 HydrophobicContact CB-CD2 4.12Å; V191-F314 WeakPolarHBondContact O-CE2 3.25Å
192	G	98.3	Very high	98.5	Very high	15 Å²	15	26.3 Å²	26.3	16%	0.155	15%	0.149	C	C	.	.	S	Bend	trans	-152.3	-129.7	-171.4	0	0	0	0	0	111.3	T187 C188 I194 P195 K196	T187-G192 WeakPolarHBondContact O-CA 3.5Å; T187-G192 PolarHBondContact O-N 2.93Å; C188-G192 CarbonylContact O-C 3.57Å; G192-I194 VanDerWaalsContact C-N 3.31Å; G192-I194 PolarHBondContact O-N 2.8Å; G192-I194 VanDerWaalsContact O-N 3.15Å; G192-P195 VanDerWaalsContact O-CD 3.27Å; G192-P195 WeakPolarHBondContact O-CD 3.36Å; G192-P195 WeakPolarHBondContact O-CG 3.38Å; G192-K196 WeakPolarHBondContact O-CB 3.47Å; G192-K196 PolarHBondContact O-N 3.19Å
193	C	97.3	Very high	98.5	Very high	54 Å²	54	24.4 Å²	24.4	37%	0.365	14%	0.143	S	C	.	.	H	α-helix	trans	-52.5	-42.5	-167.7	-15.9	0	0	0	0	114.7	C188 K197	C188-C193 HydrophobicContact CB-CB 4.34Å; C188-C193 WeakPolarHBondContact CB-SG 3.36Å; C188-C193 PolarHBondContact O-N 2.8Å; C188-C193 VanDerWaalsContact O-N 3.16Å; C188-C193 WeakPolarHBondContact SG-CB 3.44Å; C188-C193 CovalentContact SG-SG 2.05Å; C188-C193 PolarHBondContact SG-SG 3.06Å; C193-K197 VanDerWaalsContact O-CB 3.28Å; C193-K197 WeakPolarHBondContact O-CB 3.48Å; C193-K197 PolarHBondContact O-N 2.78Å
194	I	98.5	Very high	98.6	Very high	54 Å²	54	25.5 Å²	25.5	28%	0.277	14%	0.143	S	C	.	.	H	α-helix	trans	-66	-63	-177.1	-59.7	-60.5	0	0	0	111.4	C188 G192 K196 K197 L198 L242	C188-I194 WeakPolarHBondContact O-CG1 3.42Å; C188-I194 PolarHBondContact O-N 3.25Å; G192-I194 VanDerWaalsContact C-N 3.31Å; G192-I194 PolarHBondContact O-N 2.8Å; G192-I194 VanDerWaalsContact O-N 3.15Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 2.95Å; I194-K197 PolarHBondContact O-N 3.11Å; I194-L198 HydrophobicContact CG2-CD1 4.07Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 2.85Å; I194-L242 HydrophobicContact CG1-CD1 4.21Å; I194-L242 HydrophobicContact CG2-CD1 4.09Å
195	P	98.7	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-36.1	178.2	26	-35.9	0	0	0	112.6	G192 K197 L198 M199 V235 I239 F314	G192-P195 VanDerWaalsContact O-CD 3.27Å; G192-P195 WeakPolarHBondContact O-CD 3.36Å; G192-P195 WeakPolarHBondContact O-CG 3.38Å; P195-K197 PolarHBondContact O-N 2.83Å; P195-L198 PolarHBondContact O-N 3.22Å; P195-M199 WeakPolarHBondContact O-CB 3.22Å; P195-M199 WeakPolarHBondContact O-CG 3.41Å; P195-M199 PolarHBondContact O-N 2.76Å; P195-V235 HydrophobicContact CB-CG1 3.74Å; P195-I239 HydrophobicContact CB-CD1 4.1Å; P195-I239 HydrophobicContact CG-CD1 4.24Å; P195-F314 HydrophobicContact CB-CB 3.74Å; P195-F314 HydrophobicContact CB-CD1 3.59Å; P195-F314 HydrophobicContact CB-CD2 4.31Å; P195-F314 HydrophobicContact CB-CE1 4.27Å; P195-F314 HydrophobicContact CB-CG 3.61Å; P195-F314 HydrophobicContact CG-CB 3.99Å; P195-F314 HydrophobicContact CG-CD1 4.02Å; P195-F314 HydrophobicContact CG-CD2 3.88Å; P195-F314 HydrophobicContact CG-CE1 4.5Å; P195-F314 HydrophobicContact CG-CE2 4.35Å; P195-F314 HydrophobicContact CG-CG 3.69Å
196	K	98.6	Very high	98.6	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.078	18%	0.177	C	C	.	.	H	α-helix	trans	-55.6	-51.5	174.8	-176.6	-80.5	-60.9	-80.8	0	110.9	G192 I194 M199 H200 F314 E334 F508	G192-K196 WeakPolarHBondContact O-CB 3.47Å; G192-K196 PolarHBondContact O-N 3.19Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 2.95Å; K196-M199 PolarHBondContact O-N 3.21Å; K196-H200 VanDerWaalsContact O-CB 3.29Å; K196-H200 WeakPolarHBondContact O-CB 3.31Å; K196-H200 PolarHBondContact O-N 2.89Å; K196-F314 HydrophobicContact CB-CE1 4.18Å; K196-F314 HydrophobicContact CB-CZ 3.92Å; K196-E334 HydrophobicContact CD-CB 4.19Å; K196-E334 HydrophobicContact CD-CG 4.31Å; K196-E334 WeakPolarHBondContact CD-OE2 3.35Å; K196-E334 HydrophobicContact CG-CB 4.26Å; K196-E334 WeakPolarHBondContact CG-OE2 3.2Å; K196-E334 IonicContact NZ-OE1 2.6Å; K196-E334 PolarHBondContact NZ-OE1 3.28Å; K196-E334 IonicContact NZ-OE2 2.71Å; K196-E334 PolarHBondContact NZ-OE2 2.79Å; K196-F508 HydrophobicContact CD-CB 3.96Å
197	K	98.7	Very high	98.6	Very high	85 Å²	85	32 Å²	32	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-71.9	-30.7	-177	-159.5	177.9	-177.9	-170.3	0	112	C193 I194 P195 Q201 F508 E580	C193-K197 VanDerWaalsContact O-CB 3.28Å; C193-K197 WeakPolarHBondContact O-CB 3.48Å; C193-K197 PolarHBondContact O-N 2.78Å; I194-K197 PolarHBondContact O-N 3.11Å; P195-K197 PolarHBondContact O-N 2.83Å; K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.08Å; K197-F508 HydrophobicContact CD-CD1 4.45Å; K197-F508 HydrophobicContact CD-CE1 4.03Å; K197-F508 HydrophobicContact CD-CZ 4.24Å; K197-F508 HydrophobicContact CG-CD1 4.41Å; K197-F508 HydrophobicContact CG-CE1 4.48Å; K197-E580 IonicContact NZ-OE1 2.85Å
198	L	98.8	Very high	98.6	Very high	67 Å²	67	32.5 Å²	32.5	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-68.1	-42.6	173.1	-70.8	171.4	0	0	0	112.3	I194 P195 Q201 A202 V235	I194-L198 HydrophobicContact CG2-CD1 4.07Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 2.85Å; P195-L198 PolarHBondContact O-N 3.22Å; L198-Q201 WeakPolarHBondContact O-CB 3.21Å; L198-Q201 PolarHBondContact O-N 2.82Å; L198-A202 PolarHBondContact O-N 2.86Å; L198-V235 HydrophobicContact CB-CG2 3.96Å; L198-V235 HydrophobicContact CD1-CG1 4.32Å; L198-V235 HydrophobicContact CD1-CG2 4.21Å
199	M	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.4	-37.2	174.4	-68.5	-169.9	177.4	0	0	111.9	P195 K196 Q201 A202 G203 W228 M231 V232 F314 F338	P195-M199 WeakPolarHBondContact O-CB 3.22Å; P195-M199 WeakPolarHBondContact O-CG 3.41Å; P195-M199 PolarHBondContact O-N 2.76Å; K196-M199 PolarHBondContact O-N 3.21Å; M199-Q201 VanDerWaalsContact C-N 3.35Å; M199-A202 WeakPolarHBondContact O-CB 3.3Å; M199-A202 PolarHBondContact O-N 3.42Å; M199-G203 PolarHBondContact O-N 3Å; M199-W228 HydrophobicContact CE-CH2 3.85Å; M199-W228 HydrophobicContact CE-CZ2 4.28Å; M199-W228 HydrophobicContact CE-CZ3 4.43Å; M199-W228 HydrophobicContact SD-CH2 4.04Å; M199-W228 HydrophobicContact SD-CZ3 4.35Å; M199-M231 HydrophobicContact CE-CE 4.1Å; M199-M231 HydrophobicContact CG-CE 3.95Å; M199-M231 HydrophobicContact CG-SD 4.11Å; M199-M231 HydrophobicContact SD-CE 4.18Å; M199-V232 HydrophobicContact CE-CG2 4.04Å; M199-F314 HydrophobicContact CE-CB 4.44Å; M199-F314 HydrophobicContact CE-CD1 3.92Å; M199-F314 HydrophobicContact SD-CD1 3.59Å; M199-F314 VanDerWaalsContact SD-CD1 3.59Å; M199-F314 HydrophobicContact SD-CE1 4Å; M199-F338 HydrophobicContact CB-CD1 4.07Å; M199-F338 HydrophobicContact CB-CD2 3.84Å; M199-F338 HydrophobicContact CB-CE1 4.09Å; M199-F338 HydrophobicContact CB-CE2 3.91Å; M199-F338 HydrophobicContact CB-CG 3.97Å; M199-F338 HydrophobicContact CB-CZ 4.03Å; M199-F338 HydrophobicContact CG-CE2 4.37Å; M199-F338 HydrophobicContact SD-CD2 4.41Å; M199-F338 HydrophobicContact SD-CE1 4.46Å; M199-F338 HydrophobicContact SD-CE2 3.59Å; M199-F338 VanDerWaalsContact SD-CE2 3.59Å; M199-F338 HydrophobicContact SD-CZ 3.63Å
200	H	98.9	Very high	98.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-46.5	168.7	174.8	59.2	0	0	0	111.5	K196 A202 G203 L204 F508 T509 E512	K196-H200 VanDerWaalsContact O-CB 3.29Å; K196-H200 WeakPolarHBondContact O-CB 3.31Å; K196-H200 PolarHBondContact O-N 2.89Å; H200-A202 VanDerWaalsContact C-N 3.3Å; H200-A202 PolarHBondContact O-N 2.83Å; H200-G203 CarbonylContact O-C 3.55Å; H200-G203 WeakPolarHBondContact O-CA 3.33Å; H200-G203 PolarHBondContact O-N 3.1Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.41Å; H200-L204 PolarHBondContact O-N 3.12Å; H200-F508 PolarHBondContact ND1-O 3.23Å; H200-T509 PolarHBondContact CE1-O 3.07Å; H200-E512 IonicContact CD2-OE1 3.96Å; H200-E512 IonicContact CE1-OE1 3.29Å; H200-E512 IonicContact NE2-OE1 2.87Å; H200-E512 PolarHBondContact NE2-OE1 2.85Å
201	Q	98.9	Very high	98.5	Very high	93 Å²	93	39.8 Å²	39.8	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-39.6	175.4	-178.7	62.1	33.1	0	0	112.1	K197 L198 M199 G203 L204 L205	K197-Q201 WeakPolarHBondContact O-CB 3.45Å; K197-Q201 PolarHBondContact O-N 3.08Å; L198-Q201 WeakPolarHBondContact O-CB 3.21Å; L198-Q201 PolarHBondContact O-N 2.82Å; M199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-G203 VanDerWaalsContact C-N 3.31Å; Q201-G203 PolarHBondContact O-N 3.25Å; Q201-L204 PolarHBondContact O-N 2.87Å; Q201-L205 HydrophobicContact CG-CD1 4.42Å; Q201-L205 VanDerWaalsContact O-CG 3.31Å; Q201-L205 WeakPolarHBondContact O-CG 3.15Å; Q201-L205 PolarHBondContact O-N 2.9Å
202	A	98.8	Very high	98.5	Very high	20 Å²	20	40.4 Å²	40.4	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-37.6	173.8	0	0	0	0	0	111.9	L198 M199 H200 L205 S206 M231 L342	L198-A202 PolarHBondContact O-N 2.86Å; M199-A202 WeakPolarHBondContact O-CB 3.3Å; M199-A202 PolarHBondContact O-N 3.42Å; H200-A202 VanDerWaalsContact C-N 3.3Å; H200-A202 PolarHBondContact O-N 2.83Å; A202-L205 PolarHBondContact O-N 3.35Å; A202-S206 PolarHBondContact O-N 2.91Å; A202-M231 HydrophobicContact CB-CG 4.42Å; A202-M231 HydrophobicContact CB-SD 3.46Å; A202-M231 WeakPolarHBondContact CB-SD 3.4Å; A202-L342 HydrophobicContact CB-CD2 3.88Å
203	G	98.8	Very high	98.5	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-48.7	170.6	0	0	0	0	0	113	M199 H200 Q201 L205 S206 H207	M199-G203 PolarHBondContact O-N 3Å; H200-G203 CarbonylContact O-C 3.55Å; H200-G203 WeakPolarHBondContact O-CA 3.33Å; H200-G203 PolarHBondContact O-N 3.1Å; Q201-G203 VanDerWaalsContact C-N 3.31Å; Q201-G203 PolarHBondContact O-N 3.25Å; G203-L205 VanDerWaalsContact C-N 3.25Å; G203-L205 PolarHBondContact O-N 3.43Å; G203-S206 VanDerWaalsContact O-CB 3.25Å; G203-S206 WeakPolarHBondContact O-CB 3.4Å; G203-S206 PolarHBondContact O-N 3.31Å; G203-H207 PolarHBondContact O-CD2 3.2Å; G203-H207 VanDerWaalsContact O-CD2 3.23Å
204	L	98.8	Very high	98.5	Very high	47 Å²	47	45.5 Å²	45.5	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-37	175.7	-69.1	-176.5	0	0	0	112.4	H200 Q201 S206 H207 A208	H200-L204 WeakPolarHBondContact NE2-CD1 3.41Å; H200-L204 PolarHBondContact O-N 3.12Å; Q201-L204 PolarHBondContact O-N 2.87Å; L204-S206 PolarHBondContact O-N 3.2Å; L204-H207 WeakPolarHBondContact O-CB 3.19Å; L204-H207 PolarHBondContact O-N 2.58Å; L204-A208 PolarHBondContact O-N 2.88Å
205	L	98.7	Very high	98.5	Very high	86 Å²	86	47.9 Å²	47.9	45%	0.45	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-29.8	176.6	-77.2	168.3	0	0	0	112.2	Q201 A202 G203 H207 A208 L209	Q201-L205 HydrophobicContact CG-CD1 4.42Å; Q201-L205 VanDerWaalsContact O-CG 3.31Å; Q201-L205 WeakPolarHBondContact O-CG 3.15Å; Q201-L205 PolarHBondContact O-N 2.9Å; A202-L205 PolarHBondContact O-N 3.35Å; G203-L205 VanDerWaalsContact C-N 3.25Å; G203-L205 PolarHBondContact O-N 3.43Å; L205-H207 VanDerWaalsContact C-N 3.3Å; L205-H207 PolarHBondContact O-N 2.93Å; L205-A208 PolarHBondContact O-N 2.93Å; L205-L209 WeakPolarHBondContact O-CB 3.39Å; L205-L209 WeakPolarHBondContact O-CD1 3.33Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.01Å
206	S	98.6	Very high	98.5	Very high	38 Å²	38	51.2 Å²	51.2	27%	0.266	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-43.9	173.2	-167.9	0	0	0	0	111.6	A202 G203 L204 L209 E210 S341	A202-S206 PolarHBondContact O-N 2.91Å; G203-S206 VanDerWaalsContact O-CB 3.25Å; G203-S206 WeakPolarHBondContact O-CB 3.4Å; G203-S206 PolarHBondContact O-N 3.31Å; L204-S206 PolarHBondContact O-N 3.2Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.38Å; S206-L209 PolarHBondContact O-N 3.01Å; S206-E210 PolarHBondContact O-N 3.25Å; S206-S341 VanDerWaalsContact CB-O 3.24Å; S206-S341 WeakPolarHBondContact CB-O 3.22Å; S206-S341 PolarHBondContact OG-O 3.08Å
207	H	98.2	Very high	98.5	Very high	25 Å²	25	59.1 Å²	59.1	12%	0.116	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-43.3	178.1	-62.4	-66.8	0	0	0	111.9	G203 L204 L205 L209 E210 D211 S341 R549	G203-H207 PolarHBondContact O-CD2 3.2Å; G203-H207 VanDerWaalsContact O-CD2 3.23Å; L204-H207 WeakPolarHBondContact O-CB 3.19Å; L204-H207 PolarHBondContact O-N 2.58Å; L205-H207 VanDerWaalsContact C-N 3.3Å; L205-H207 PolarHBondContact O-N 2.93Å; H207-L209 PolarHBondContact O-N 3.43Å; H207-E210 IonicContact ND1-OE2 3.02Å; H207-E210 WeakPolarHBondContact O-CB 3.32Å; H207-E210 PolarHBondContact O-N 3.35Å; H207-E210 VanDerWaalsContact O-N 3.11Å; H207-D211 VanDerWaalsContact O-CG 3.28Å; H207-D211 PolarHBondContact O-N 3.07Å; H207-S341 PolarHBondContact NE2-OG 2.88Å; H207-S341 VanDerWaalsContact NE2-OG 3.1Å; H207-R549 VanDerWaalsContact CB-NH2 3.32Å; H207-R549 PolarHBondContact O-NH2 3.22Å
208	A	98.5	Very high	98.4	Very high	48 Å²	48	61.3 Å²	61.3	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-30.3	176.1	0	0	0	0	0	112.8	L204 L205 D211 A212	L204-A208 PolarHBondContact O-N 2.88Å; L205-A208 PolarHBondContact O-N 2.93Å; A208-D211 PolarHBondContact O-N 3.27Å; A208-A212 WeakPolarHBondContact O-CB 3.23Å; A208-A212 PolarHBondContact O-N 3.07Å
209	L	98.4	Very high	98.4	Very high	65 Å²	65	60.8 Å²	60.8	34%	0.34	34%	0.335	S	S	.	.	H	α-helix	trans	-73.3	-27.7	179.1	-90.2	178	0	0	0	112.4	L205 S206 H207 R221	L205-L209 WeakPolarHBondContact O-CB 3.39Å; L205-L209 WeakPolarHBondContact O-CD1 3.33Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.01Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.38Å; S206-L209 PolarHBondContact O-N 3.01Å; H207-L209 PolarHBondContact O-N 3.43Å; L209-R221 WeakPolarHBondContact O-CG 3.38Å; L209-R221 PolarHBondContact O-NH1 3.07Å
210	E	97.7	Very high	98.2	Very high	83 Å²	83	63.8 Å²	63.8	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-75.4	-47	167.4	-63.7	163	168.5	0	0	110.1	S206 H207 A212 E213 R221 R549	S206-E210 PolarHBondContact O-N 3.25Å; H207-E210 IonicContact ND1-OE2 3.02Å; H207-E210 WeakPolarHBondContact O-CB 3.32Å; H207-E210 PolarHBondContact O-N 3.35Å; H207-E210 VanDerWaalsContact O-N 3.11Å; E210-A212 PolarHBondContact O-N 2.81Å; E210-E213 WeakPolarHBondContact O-CB 3.34Å; E210-E213 PolarHBondContact O-N 2.94Å; E210-E213 VanDerWaalsContact O-N 3.08Å; E210-R221 HydrophobicContact CG-CG 4.33Å; E210-R549 IonicContact OE2-NH2 2.7Å; E210-R549 PolarHBondContact OE2-NH2 2.77Å
211	D	98.3	Very high	97.8	Very high	26 Å²	26	65.5 Å²	65.5	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-56	-39.8	179.6	-65.2	-5.1	0	0	0	111.3	H207 A208 E213 H214 F215 A547 R549	H207-D211 VanDerWaalsContact O-CG 3.28Å; H207-D211 PolarHBondContact O-N 3.07Å; A208-D211 PolarHBondContact O-N 3.27Å; D211-E213 PolarHBondContact O-N 3.45Å; D211-E213 VanDerWaalsContact O-N 3.15Å; D211-H214 WeakPolarHBondContact O-CB 3.49Å; D211-H214 PolarHBondContact O-N 3.17Å; D211-F215 HydrophobicContact CB-CD2 4.5Å; D211-F215 WeakPolarHBondContact O-CD2 3.2Å; D211-F215 PolarHBondContact O-N 2.95Å; D211-F215 VanDerWaalsContact O-N 3.13Å; D211-A547 HydrophobicContact CB-CB 3.91Å; D211-A547 WeakPolarHBondContact OD1-CB 3.45Å; D211-R549 VanDerWaalsContact CG-NE 3.33Å; D211-R549 IonicContact OD1-CZ 2.77Å; D211-R549 IonicContact OD1-NE 3.97Å; D211-R549 PolarHBondContact OD1-NE 2.87Å; D211-R549 IonicContact OD1-NH2 2.81Å; D211-R549 PolarHBondContact OD1-NH2 2.7Å; D211-R549 IonicContact OD2-CZ 2.79Å; D211-R549 IonicContact OD2-NE 2.7Å; D211-R549 PolarHBondContact OD2-NE 2.89Å; D211-R549 VanDerWaalsContact OD2-NE 3.13Å; D211-R549 IonicContact OD2-NH2 3.15Å
212	A	98.5	Very high	97.5	Very high	18 Å²	18	66.2 Å²	66.2	15%	0.149	37%	0.372	C	S	.	.	H	α-helix	trans	-53.7	-34.6	179.6	0	0	0	0	0	113.5	A208 E210 H214 F215 G216 W217 L219	A208-A212 WeakPolarHBondContact O-CB 3.23Å; A208-A212 PolarHBondContact O-N 3.07Å; E210-A212 PolarHBondContact O-N 2.81Å; A212-H214 VanDerWaalsContact C-N 3.33Å; A212-H214 PolarHBondContact O-N 3.36Å; A212-F215 CarbonylContact O-C 3.33Å; A212-F215 PolarHBondContact O-N 2.88Å; A212-G216 PolarHBondContact O-N 2.95Å; A212-W217 HydrophobicContact CB-CB 4.11Å; A212-W217 HydrophobicContact CB-CG 4.19Å; A212-W217 WeakPolarHBondContact O-CB 3.48Å; A212-W217 VanDerWaalsContact O-CD1 3.31Å; A212-W217 PolarHBondContact O-N 3.48Å; A212-L219 HydrophobicContact CB-CD2 4.08Å
213	E	98.2	Very high	97.4	Very high	81 Å²	81	73 Å²	73	38%	0.379	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-42.2	177.2	-62.9	-175.2	-178.6	0	0	110.9	E210 D211 F215 G216 L219 R221	E210-E213 WeakPolarHBondContact O-CB 3.34Å; E210-E213 PolarHBondContact O-N 2.94Å; E210-E213 VanDerWaalsContact O-N 3.08Å; D211-E213 PolarHBondContact O-N 3.45Å; D211-E213 VanDerWaalsContact O-N 3.15Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.47Å; E213-G216 PolarHBondContact O-N 3.35Å; E213-L219 HydrophobicContact CG-CD1 3.56Å; E213-L219 HydrophobicContact CG-CG 4.02Å; E213-L219 WeakPolarHBondContact OE1-CD1 3.5Å; E213-R221 VanDerWaalsContact OE1-CB 3.26Å; E213-R221 WeakPolarHBondContact OE1-CB 3.35Å; E213-R221 VanDerWaalsContact OE1-CG 3.23Å; E213-R221 WeakPolarHBondContact OE1-CG 3.13Å; E213-R221 PolarHBondContact OE1-N 3.44Å; E213-R221 VanDerWaalsContact OE1-N 3.1Å
214	H	98.1	Very high	97.3	Very high	96 Å²	96	77 Å²	77	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-70.4	-26.7	177	-63.4	-62.5	0	0	0	113.4	D211 A212 G216 V546 H548	D211-H214 WeakPolarHBondContact O-CB 3.49Å; D211-H214 PolarHBondContact O-N 3.17Å; A212-H214 VanDerWaalsContact C-N 3.33Å; A212-H214 PolarHBondContact O-N 3.36Å; H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact O-N 2.76Å; H214-V546 HydrophobicContact CB-CG1 4.43Å; H214-V546 WeakPolarHBondContact CB-O 3.39Å; H214-V546 WeakPolarHBondContact O-CG1 3.34Å; H214-H548 AromaticContact CE1-CD2 3.81Å; H214-H548 AromaticContact ND1-CD2 3.56Å
215	F	98.4	Very high	97.3	Very high	104 Å²	104	80.1 Å²	80.1	46%	0.456	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.8	173.3	-77.9	-84.8	0	0	0	113.8	D211 A212 E213 V546 A547	D211-F215 HydrophobicContact CB-CD2 4.5Å; D211-F215 WeakPolarHBondContact O-CD2 3.2Å; D211-F215 PolarHBondContact O-N 2.95Å; D211-F215 VanDerWaalsContact O-N 3.13Å; A212-F215 CarbonylContact O-C 3.33Å; A212-F215 PolarHBondContact O-N 2.88Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.47Å; F215-V546 HydrophobicContact CD1-CB 4.43Å; F215-V546 HydrophobicContact CD1-CG1 4.03Å; F215-V546 HydrophobicContact CD2-CG1 4.29Å; F215-V546 HydrophobicContact CE1-CB 3.85Å; F215-V546 HydrophobicContact CE1-CG1 3.96Å; F215-V546 HydrophobicContact CE1-CG2 4.12Å; F215-V546 HydrophobicContact CE2-CB 4.06Å; F215-V546 HydrophobicContact CE2-CG1 4.22Å; F215-V546 HydrophobicContact CG-CG1 4.21Å; F215-V546 HydrophobicContact CZ-CB 3.64Å; F215-V546 HydrophobicContact CZ-CG1 4.06Å; F215-V546 HydrophobicContact CZ-CG2 4.25Å; F215-A547 HydrophobicContact CE2-CB 4.2Å
216	G	98.2	Very high	97.3	Very high	69 Å²	69	79.7 Å²	79.7	71%	0.711	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	12.7	170.5	0	0	0	0	0	115.6	A212 E213 H214	A212-G216 PolarHBondContact O-N 2.95Å; E213-G216 PolarHBondContact O-N 3.35Å; H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact O-N 2.76Å
217	W	98.4	Very high	97.3	Very high	184 Å²	184	82.2 Å²	82.2	70%	0.697	45%	0.45	S	S	*	.			trans	-82.9	126.3	174.5	-66.2	89.7	0	0	0	111.3	A212 L219	A212-W217 HydrophobicContact CB-CB 4.11Å; A212-W217 HydrophobicContact CB-CG 4.19Å; A212-W217 WeakPolarHBondContact O-CB 3.48Å; A212-W217 VanDerWaalsContact O-CD1 3.31Å; A212-W217 PolarHBondContact O-N 3.48Å; W217-L219 HydrophobicContact CB-CD2 4.35Å; W217-L219 PolarHBondContact O-N 2.79Å; W217-L219 VanDerWaalsContact O-N 3.15Å
218	S	97.6	Very high	97.3	Very high	131 Å²	131	81.4 Å²	81.4	92%	0.916	45%	0.446	S	S	*	.			trans	-83.3	91.4	176.8	60.1	0	0	0	0	111.3
219	L	97.1	Very high	97.3	Very high	57 Å²	57	81.5 Å²	81.5	30%	0.298	44%	0.443	S	S	.	.			trans	-135	162.3	172.1	62.1	82.9	0	0	0	109.4	A212 E213 W217 R221	A212-L219 HydrophobicContact CB-CD2 4.08Å; E213-L219 HydrophobicContact CG-CD1 3.56Å; E213-L219 HydrophobicContact CG-CG 4.02Å; E213-L219 WeakPolarHBondContact OE1-CD1 3.5Å; W217-L219 HydrophobicContact CB-CD2 4.35Å; W217-L219 PolarHBondContact O-N 2.79Å; W217-L219 VanDerWaalsContact O-N 3.15Å; L219-R221 HydrophobicContact CD1-CB 4.39Å; L219-R221 HydrophobicContact CD1-CG 3.67Å
220	D	94.6	Very high	97.3	Very high	62 Å²	62	83 Å²	83	33%	0.332	46%	0.456	S	S	.	.			trans	-118.3	92.3	176.4	-178.9	-6.5	0	0	0	108.5	S222 K223	D220-S222 PolarHBondContact O-N 3.47Å; D220-S222 WeakPolarHBondContact OD1-CB 3.17Å; D220-S222 PolarHBondContact OD1-N 2.87Å; D220-S222 PolarHBondContact OD1-OG 2.88Å; D220-K223 PolarHBondContact O-N 3.5Å; D220-K223 VanDerWaalsContact OD2-CD 3.26Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 WeakPolarHBondContact OD2-CE 3.4Å; D220-K223 IonicContact OD2-NZ 3.98Å; D220-K223 PolarHBondContact OD2-NZ 3.38Å
221	R	91.4	Very high	97.4	Very high	41 Å²	41	80.2 Å²	80.2	16%	0.155	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-54	-35.7	179.6	-89	-79.3	79.5	77.4	-11.9	113.2	L209 E210 E213 L219 K223 I224	L209-R221 WeakPolarHBondContact O-CG 3.38Å; L209-R221 PolarHBondContact O-NH1 3.07Å; E210-R221 HydrophobicContact CG-CG 4.33Å; E213-R221 VanDerWaalsContact OE1-CB 3.26Å; E213-R221 WeakPolarHBondContact OE1-CB 3.35Å; E213-R221 VanDerWaalsContact OE1-CG 3.23Å; E213-R221 WeakPolarHBondContact OE1-CG 3.13Å; E213-R221 PolarHBondContact OE1-N 3.44Å; E213-R221 VanDerWaalsContact OE1-N 3.1Å; L219-R221 HydrophobicContact CD1-CB 4.39Å; L219-R221 HydrophobicContact CD1-CG 3.67Å; R221-K223 PolarHBondContact O-N 2.82Å; R221-I224 PolarHBondContact O-N 2.95Å
222	S	92.3	Very high	97.4	Very high	107 Å²	107	79.4 Å²	79.4	75%	0.748	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20	-175.5	78.2	0	0	0	0	113.6	D220	D220-S222 PolarHBondContact O-N 3.47Å; D220-S222 WeakPolarHBondContact OD1-CB 3.17Å; D220-S222 PolarHBondContact OD1-N 2.87Å; D220-S222 PolarHBondContact OD1-OG 2.88Å
223	K	96.2	Very high	97.4	Very high	163 Å²	163	85.2 Å²	85.2	71%	0.709	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-100.2	-4.9	177.4	-65.7	-178.4	-178	128.7	0	113.7	D220 R221	D220-K223 PolarHBondContact O-N 3.5Å; D220-K223 VanDerWaalsContact OD2-CD 3.26Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 WeakPolarHBondContact OD2-CE 3.4Å; D220-K223 IonicContact OD2-NZ 3.98Å; D220-K223 PolarHBondContact OD2-NZ 3.38Å; R221-K223 PolarHBondContact O-N 2.82Å
224	I	98	Very high	97.4	Very high	87 Å²	87	83.6 Å²	83.6	45%	0.446	47%	0.468	S	S	.	.			trans	-96.4	121.6	-175.6	-63.4	170.1	0	0	0	108.9	R221	R221-I224 PolarHBondContact O-N 2.95Å
225	S	97.6	Very high	97.4	Very high	112 Å²	112	79.4 Å²	79.4	78%	0.783	45%	0.449	S	S	*	.			trans	-112	154.4	176.2	54.2	0	0	0	0	110.9
226	H	98.6	Very high	97.5	Very high	76 Å²	76	77.4 Å²	77.4	35%	0.352	44%	0.441	S	S	.	.			trans	-88	139.4	173.8	-179	77.4	0	0	0	110.9
227	N	98.6	Very high	97.5	Very high	91 Å²	91	78.2 Å²	78.2	49%	0.487	44%	0.436	S	S	.	.			trans	-106.2	105.4	171.8	-171.2	-50	0	0	0	110.3	S229 T230 M231	N227-S229 PolarHBondContact O-N 3.19Å; N227-S229 PolarHBondContact OD1-N 2.74Å; N227-S229 VanDerWaalsContact OD1-N 3.11Å; N227-T230 VanDerWaalsContact CG-OG1 3.27Å; N227-T230 PolarHBondContact O-N 2.85Å; N227-T230 PolarHBondContact OD1-N 3.49Å; N227-T230 PolarHBondContact OD1-OG1 2.81Å; N227-M231 PolarHBondContact O-N 2.91Å; N227-M231 VanDerWaalsContact O-N 3.15Å
228	W	98.7	Very high	97.5	Very high	8 Å²	8	73.3 Å²	73.3	3%	0.03	42%	0.421	C	S	.	.	H	α-helix	trans	-56.8	-48.9	179.8	173.1	-93	0	0	0	112.9	M199 T230 M231 V232 L313 L316 Y318 F319 P320 L339 L342	M199-W228 HydrophobicContact CE-CH2 3.85Å; M199-W228 HydrophobicContact CE-CZ2 4.28Å; M199-W228 HydrophobicContact CE-CZ3 4.43Å; M199-W228 HydrophobicContact SD-CH2 4.04Å; M199-W228 HydrophobicContact SD-CZ3 4.35Å; W228-T230 VanDerWaalsContact C-N 3.33Å; W228-T230 PolarHBondContact O-N 2.64Å; W228-M231 HydrophobicContact CD2-CE 4.25Å; W228-M231 HydrophobicContact CE3-CE 3.51Å; W228-M231 HydrophobicContact CH2-CE 4.33Å; W228-M231 HydrophobicContact CZ3-CE 3.56Å; W228-M231 WeakPolarHBondContact O-CB 3.46Å; W228-M231 PolarHBondContact O-N 2.97Å; W228-M231 VanDerWaalsContact O-N 3.11Å; W228-V232 HydrophobicContact CD2-CG2 4.03Å; W228-V232 VanDerWaalsContact CE2-CG2 3.44Å; W228-V232 HydrophobicContact CG-CG2 4.37Å; W228-V232 HydrophobicContact CH2-CG2 4.43Å; W228-V232 HydrophobicContact CZ2-CG2 3.68Å; W228-V232 WeakPolarHBondContact O-CG2 3.41Å; W228-V232 PolarHBondContact O-N 3.22Å; W228-L313 HydrophobicContact CH2-CD1 4.03Å; W228-L313 WeakPolarHBondContact CZ2-O 3.39Å; W228-L316 HydrophobicContact CZ2-CB 3.96Å; W228-L316 PolarHBondContact NE1-O 3.39Å; W228-Y318 VanDerWaalsContact CD1-C 3.41Å; W228-Y318 PolarHBondContact NE1-O 3.27Å; W228-F319 HydrophobicContact CB-CB 3.84Å; W228-F319 HydrophobicContact CB-CD2 3.81Å; W228-F319 HydrophobicContact CB-CG 4.27Å; W228-F319 HydrophobicContact CD2-CD2 4.08Å; W228-F319 AromaticContact CE3-CD2 3.92Å; W228-F319 HydrophobicContact CE3-CD2 3.92Å; W228-F319 HydrophobicContact CE3-CE2 4.42Å; W228-F319 HydrophobicContact CG-CB 4.02Å; W228-F319 HydrophobicContact CG-CD2 4.06Å; W228-P320 HydrophobicContact CH2-CG 4.12Å; W228-P320 HydrophobicContact CZ2-CG 4.27Å; W228-P320 HydrophobicContact CZ3-CG 4.34Å; W228-L339 HydrophobicContact CH2-CD2 4.4Å; W228-L339 HydrophobicContact CZ3-CD2 3.93Å; W228-L342 HydrophobicContact CE3-CD1 4.5Å; W228-L342 HydrophobicContact CZ3-CD1 4.38Å
229	S	98.3	Very high	97.6	Very high	50 Å²	50	67.1 Å²	67.1	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-40.6	-177.1	-56.2	0	0	0	0	111.2	N227 M231 V232 E233	N227-S229 PolarHBondContact O-N 3.19Å; N227-S229 PolarHBondContact OD1-N 2.74Å; N227-S229 VanDerWaalsContact OD1-N 3.11Å; S229-M231 VanDerWaalsContact C-N 3.33Å; S229-M231 PolarHBondContact O-N 2.68Å; S229-V232 PolarHBondContact O-N 2.59Å; S229-E233 WeakPolarHBondContact O-CB 3.34Å; S229-E233 VanDerWaalsContact O-CG 3.31Å; S229-E233 WeakPolarHBondContact O-CG 3.5Å; S229-E233 PolarHBondContact O-N 3.45Å
230	T	98.8	Very high	97.6	Very high	98 Å²	98	66.1 Å²	66.1	60%	0.601	38%	0.381	S	S	*	.	H	α-helix	trans	-60.6	-42	173.9	-57	0	0	0	0	112.1	N227 W228 G234	N227-T230 VanDerWaalsContact CG-OG1 3.27Å; N227-T230 PolarHBondContact O-N 2.85Å; N227-T230 PolarHBondContact OD1-N 3.49Å; N227-T230 PolarHBondContact OD1-OG1 2.81Å; W228-T230 VanDerWaalsContact C-N 3.33Å; W228-T230 PolarHBondContact O-N 2.64Å; T230-G234 PolarHBondContact O-N 2.76Å
231	M	98.9	Very high	97.8	Very high	24 Å²	24	66.1 Å²	66.1	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-64.1	-49.7	176.4	-179	-174.6	63.3	0	0	111.4	M199 A202 N227 W228 S229 E233 G234 V235 L342	M199-M231 HydrophobicContact CE-CE 4.1Å; M199-M231 HydrophobicContact CG-CE 3.95Å; M199-M231 HydrophobicContact CG-SD 4.11Å; M199-M231 HydrophobicContact SD-CE 4.18Å; A202-M231 HydrophobicContact CB-CG 4.42Å; A202-M231 HydrophobicContact CB-SD 3.46Å; A202-M231 WeakPolarHBondContact CB-SD 3.4Å; N227-M231 PolarHBondContact O-N 2.91Å; N227-M231 VanDerWaalsContact O-N 3.15Å; W228-M231 HydrophobicContact CD2-CE 4.25Å; W228-M231 HydrophobicContact CE3-CE 3.51Å; W228-M231 HydrophobicContact CH2-CE 4.33Å; W228-M231 HydrophobicContact CZ3-CE 3.56Å; W228-M231 WeakPolarHBondContact O-CB 3.46Å; W228-M231 PolarHBondContact O-N 2.97Å; W228-M231 VanDerWaalsContact O-N 3.11Å; S229-M231 VanDerWaalsContact C-N 3.33Å; S229-M231 PolarHBondContact O-N 2.68Å; M231-E233 VanDerWaalsContact C-N 3.33Å; M231-E233 PolarHBondContact O-N 3.13Å; M231-G234 PolarHBondContact O-N 2.95Å; M231-V235 HydrophobicContact CG-CG2 4.31Å; M231-V235 WeakPolarHBondContact O-CG2 3.25Å; M231-V235 PolarHBondContact O-N 3.32Å; M231-L342 HydrophobicContact CE-CD1 3.65Å; M231-L342 HydrophobicContact SD-CD1 3.95Å; M231-L342 HydrophobicContact SD-CD2 4.47Å
232	V	98.7	Very high	98.2	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.055	39%	0.388	C	S	.	.	H	α-helix	trans	-61.6	-40.9	-178.8	173.3	0	0	0	0	111.2	M199 W228 S229 G234 V235 Q236	M199-V232 HydrophobicContact CE-CG2 4.04Å; W228-V232 HydrophobicContact CD2-CG2 4.03Å; W228-V232 VanDerWaalsContact CE2-CG2 3.44Å; W228-V232 HydrophobicContact CG-CG2 4.37Å; W228-V232 HydrophobicContact CH2-CG2 4.43Å; W228-V232 HydrophobicContact CZ2-CG2 3.68Å; W228-V232 WeakPolarHBondContact O-CG2 3.41Å; W228-V232 PolarHBondContact O-N 3.22Å; S229-V232 PolarHBondContact O-N 2.59Å; V232-G234 PolarHBondContact O-N 2.81Å; V232-V235 PolarHBondContact O-N 2.81Å; V232-Q236 HydrophobicContact CG1-CG 3.88Å; V232-Q236 VanDerWaalsContact O-CB 3.32Å; V232-Q236 WeakPolarHBondContact O-CB 3.38Å; V232-Q236 VanDerWaalsContact O-CG 3.29Å; V232-Q236 WeakPolarHBondContact O-CG 3.3Å; V232-Q236 PolarHBondContact O-N 2.98Å
233	E	98.7	Very high	98.5	Very high	140 Å²	140	62 Å²	62	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-45.9	174.1	-76.4	-62.7	134.9	0	0	112.1	S229 M231 S237	S229-E233 WeakPolarHBondContact O-CB 3.34Å; S229-E233 VanDerWaalsContact O-CG 3.31Å; S229-E233 WeakPolarHBondContact O-CG 3.5Å; S229-E233 PolarHBondContact O-N 3.45Å; M231-E233 VanDerWaalsContact C-N 3.33Å; M231-E233 PolarHBondContact O-N 3.13Å; E233-S237 WeakPolarHBondContact O-CB 3.09Å; E233-S237 PolarHBondContact O-N 2.83Å
234	G	98.7	Very high	98.6	Very high	47 Å²	47	62.3 Å²	62.3	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-43.3	175.8	0	0	0	0	0	112.9	T230 M231 V232 H238	T230-G234 PolarHBondContact O-N 2.76Å; M231-G234 PolarHBondContact O-N 2.95Å; V232-G234 PolarHBondContact O-N 2.81Å; G234-H238 PolarHBondContact O-N 3.49Å
235	V	98.8	Very high	98.6	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.048	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-49.4	177.3	170.7	0	0	0	0	111	P195 L198 M231 V232 S237 H238 I239	P195-V235 HydrophobicContact CB-CG1 3.74Å; L198-V235 HydrophobicContact CB-CG2 3.96Å; L198-V235 HydrophobicContact CD1-CG1 4.32Å; L198-V235 HydrophobicContact CD1-CG2 4.21Å; M231-V235 HydrophobicContact CG-CG2 4.31Å; M231-V235 WeakPolarHBondContact O-CG2 3.25Å; M231-V235 PolarHBondContact O-N 3.32Å; V232-V235 PolarHBondContact O-N 2.81Å; V235-S237 VanDerWaalsContact C-N 3.35Å; V235-S237 PolarHBondContact O-N 3.45Å; V235-H238 PolarHBondContact O-N 2.94Å; V235-I239 HydrophobicContact CG1-CD1 3.92Å; V235-I239 WeakPolarHBondContact O-CG1 3.43Å; V235-I239 PolarHBondContact O-N 3.43Å
236	Q	98.8	Very high	98.6	Very high	61 Å²	61	57.4 Å²	57.4	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-66.9	-35	-179.5	-70.2	-60.5	-37.2	0	0	112	V232 H238 I239 G240 F314	V232-Q236 HydrophobicContact CG1-CG 3.88Å; V232-Q236 VanDerWaalsContact O-CB 3.32Å; V232-Q236 WeakPolarHBondContact O-CB 3.38Å; V232-Q236 VanDerWaalsContact O-CG 3.29Å; V232-Q236 WeakPolarHBondContact O-CG 3.3Å; V232-Q236 PolarHBondContact O-N 2.98Å; Q236-H238 PolarHBondContact O-N 3.33Å; Q236-I239 PolarHBondContact O-N 3.11Å; Q236-G240 PolarHBondContact O-N 3.2Å; Q236-F314 PolarHBondContact NE2-O 3.18Å
237	S	98.8	Very high	98.6	Very high	87 Å²	87	58.4 Å²	58.4	61%	0.608	33%	0.327	S	S	*	.	H	α-helix	trans	-59	-45.9	171.9	180	0	0	0	0	111.8	E233 V235 G240 S241	E233-S237 WeakPolarHBondContact O-CB 3.09Å; E233-S237 PolarHBondContact O-N 2.83Å; V235-S237 VanDerWaalsContact C-N 3.35Å; V235-S237 PolarHBondContact O-N 3.45Å; S237-G240 PolarHBondContact O-N 3.41Å; S237-S241 PolarHBondContact O-N 2.95Å
238	H	98.7	Very high	98.6	Very high	81 Å²	81	55.2 Å²	55.2	38%	0.375	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-45.5	175.2	-176.4	58.8	0	0	0	112	G234 V235 Q236 G240 S241 L242	G234-H238 PolarHBondContact O-N 3.49Å; V235-H238 PolarHBondContact O-N 2.94Å; Q236-H238 PolarHBondContact O-N 3.33Å; H238-G240 VanDerWaalsContact C-N 3.31Å; H238-G240 PolarHBondContact O-N 2.67Å; H238-S241 WeakPolarHBondContact O-CB 3.32Å; H238-S241 PolarHBondContact O-N 2.87Å; H238-S241 VanDerWaalsContact O-N 3.13Å; H238-S241 PolarHBondContact O-OG 3.05Å; H238-L242 PolarHBondContact O-N 2.97Å
239	I	98.7	Very high	98.6	Very high	1 Å²	1	56 Å²	56	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-44.3	176	-67.4	170.4	0	0	0	111.1	V189 N190 P195 V235 Q236 S241 L242 N243	V189-I239 WeakPolarHBondContact O-CG1 3.44Å; N190-I239 HydrophobicContact CB-CG2 4.47Å; N190-I239 WeakPolarHBondContact OD1-CG2 3.29Å; P195-I239 HydrophobicContact CB-CD1 4.1Å; P195-I239 HydrophobicContact CG-CD1 4.24Å; V235-I239 HydrophobicContact CG1-CD1 3.92Å; V235-I239 WeakPolarHBondContact O-CG1 3.43Å; V235-I239 PolarHBondContact O-N 3.43Å; Q236-I239 PolarHBondContact O-N 3.11Å; I239-S241 VanDerWaalsContact C-N 3.29Å; I239-S241 PolarHBondContact O-N 2.99Å; I239-L242 WeakPolarHBondContact O-CB 3.43Å; I239-L242 PolarHBondContact O-N 3.31Å; I239-N243 VanDerWaalsContact O-CG 3.24Å; I239-N243 PolarHBondContact O-N 3.37Å; I239-N243 PolarHBondContact O-ND2 3.38Å
240	G	98.6	Very high	98.6	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	30%	0.303	S	S	.	.	H	α-helix	trans	-57.5	-41.2	176	0	0	0	0	0	112.5	Q236 S237 H238 N243 W244	Q236-G240 PolarHBondContact O-N 3.2Å; S237-G240 PolarHBondContact O-N 3.41Å; H238-G240 VanDerWaalsContact C-N 3.31Å; H238-G240 PolarHBondContact O-N 2.67Å; G240-N243 PolarHBondContact O-N 2.82Å; G240-W244 PolarHBondContact O-N 2.84Å
241	S	98.6	Very high	98.6	Very high	61 Å²	61	56.9 Å²	56.9	43%	0.427	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-40.1	174.4	83.7	0	0	0	0	112.5	S237 H238 I239 W244 G245	S237-S241 PolarHBondContact O-N 2.95Å; H238-S241 WeakPolarHBondContact O-CB 3.32Å; H238-S241 PolarHBondContact O-N 2.87Å; H238-S241 VanDerWaalsContact O-N 3.13Å; H238-S241 PolarHBondContact O-OG 3.05Å; I239-S241 VanDerWaalsContact C-N 3.29Å; I239-S241 PolarHBondContact O-N 2.99Å; S241-W244 PolarHBondContact O-N 2.89Å; S241-G245 PolarHBondContact O-N 2.96Å
242	L	98.5	Very high	98.6	Very high	41 Å²	41	60.1 Å²	60.1	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-44.1	176.9	-65.2	179.6	0	0	0	111.4	V189 I194 H238 I239 W244 G245 Y246	V189-L242 HydrophobicContact CG1-CB 3.81Å; V189-L242 HydrophobicContact CG1-CD1 3.96Å; I194-L242 HydrophobicContact CG1-CD1 4.21Å; I194-L242 HydrophobicContact CG2-CD1 4.09Å; H238-L242 PolarHBondContact O-N 2.97Å; I239-L242 WeakPolarHBondContact O-CB 3.43Å; I239-L242 PolarHBondContact O-N 3.31Å; L242-W244 VanDerWaalsContact C-N 3.26Å; L242-W244 PolarHBondContact O-N 2.9Å; L242-G245 PolarHBondContact O-N 2.79Å; L242-Y246 HydrophobicContact CB-CD2 4.49Å; L242-Y246 HydrophobicContact CB-CE2 4.32Å; L242-Y246 WeakPolarHBondContact O-CD2 3.43Å; L242-Y246 PolarHBondContact O-N 2.85Å
243	N	98.5	Very high	98.5	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.118	33%	0.33	C	S	.	.	H	α-helix	trans	-57.2	-43	176.5	-62	163.5	0	0	0	111.1	G183 L184 N190 I239 G240 K247	G183-N243 WeakPolarHBondContact CA-OD1 3.42Å; L184-N243 WeakPolarHBondContact O-CA 3.32Å; L184-N243 PolarHBondContact O-ND2 3.42Å; N190-N243 PolarHBondContact OD1-ND2 2.58Å; I239-N243 VanDerWaalsContact O-CG 3.24Å; I239-N243 PolarHBondContact O-N 3.37Å; I239-N243 PolarHBondContact O-ND2 3.38Å; G240-N243 PolarHBondContact O-N 2.82Å; N243-K247 WeakPolarHBondContact O-CE 3.33Å; N243-K247 WeakPolarHBondContact O-CG 3.19Å; N243-K247 PolarHBondContact O-N 2.97Å
244	W	98.5	Very high	98.5	Very high	169 Å²	169	60.9 Å²	60.9	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-66.6	-48.2	175	178.5	82.2	0	0	0	111.8	G240 S241 L242 Y246 K247 V248	G240-W244 PolarHBondContact O-N 2.84Å; S241-W244 PolarHBondContact O-N 2.89Å; L242-W244 VanDerWaalsContact C-N 3.26Å; L242-W244 PolarHBondContact O-N 2.9Å; W244-Y246 VanDerWaalsContact C-N 3.3Å; W244-Y246 PolarHBondContact O-N 3.35Å; W244-K247 PolarHBondContact O-N 3.31Å; W244-K247 VanDerWaalsContact O-N 3.09Å; W244-V248 HydrophobicContact CD2-CG2 3.92Å; W244-V248 HydrophobicContact CE3-CG2 4.38Å; W244-V248 HydrophobicContact CG-CG2 4.44Å; W244-V248 HydrophobicContact CH2-CG2 4.17Å; W244-V248 HydrophobicContact CZ2-CG2 3.68Å; W244-V248 HydrophobicContact CZ3-CG2 4.49Å; W244-V248 WeakPolarHBondContact O-CG2 3.31Å; W244-V248 PolarHBondContact O-N 3.34Å
245	G	98.4	Very high	98.5	Very high	31 Å²	31	59 Å²	59	32%	0.32	31%	0.305	S	S	.	.	H	α-helix	trans	-56.4	-40.9	178.6	0	0	0	0	0	112.9	S241 L242 V248 A249	S241-G245 PolarHBondContact O-N 2.96Å; L242-G245 PolarHBondContact O-N 2.79Å; G245-V248 PolarHBondContact O-N 2.9Å; G245-A249 VanDerWaalsContact O-CB 3.28Å; G245-A249 WeakPolarHBondContact O-CB 3.17Å; G245-A249 PolarHBondContact O-N 2.77Å
246	Y	98.6	Very high	98.5	Very high	64 Å²	64	61.1 Å²	61.1	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-42.1	175.1	-75.9	-59.1	0	0	0	112.8	L154 V189 L242 W244 V248 A249 L250	L154-Y246 HydrophobicContact CD1-CD1 3.75Å; L154-Y246 HydrophobicContact CD1-CD2 4.26Å; L154-Y246 HydrophobicContact CD1-CE1 4.11Å; L154-Y246 HydrophobicContact CD1-CG 3.84Å; V189-Y246 HydrophobicContact CG1-CE2 4.24Å; V189-Y246 HydrophobicContact CG2-CD2 4.43Å; V189-Y246 HydrophobicContact CG2-CE2 3.55Å; L242-Y246 HydrophobicContact CB-CD2 4.49Å; L242-Y246 HydrophobicContact CB-CE2 4.32Å; L242-Y246 WeakPolarHBondContact O-CD2 3.43Å; L242-Y246 PolarHBondContact O-N 2.85Å; W244-Y246 VanDerWaalsContact C-N 3.3Å; W244-Y246 PolarHBondContact O-N 3.35Å; Y246-V248 VanDerWaalsContact C-N 3.34Å; Y246-V248 PolarHBondContact O-N 2.97Å; Y246-A249 PolarHBondContact O-N 2.81Å; Y246-L250 WeakPolarHBondContact O-CG 3.26Å; Y246-L250 PolarHBondContact O-N 2.87Å
247	K	98.4	Very high	98.5	Very high	97 Å²	97	61.1 Å²	61.1	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.5	-76.4	-179.5	-76	-177.1	0	111.4	L184 N243 W244 L250 R251 Y257	L184-K247 HydrophobicContact CB-CG 4.26Å; L184-K247 HydrophobicContact CD2-CG 3.69Å; N243-K247 WeakPolarHBondContact O-CE 3.33Å; N243-K247 WeakPolarHBondContact O-CG 3.19Å; N243-K247 PolarHBondContact O-N 2.97Å; W244-K247 PolarHBondContact O-N 3.31Å; W244-K247 VanDerWaalsContact O-N 3.09Å; K247-L250 PolarHBondContact O-N 3.23Å; K247-R251 PolarHBondContact O-N 3.49Å; K247-R251 VanDerWaalsContact O-N 3.15Å; K247-Y257 HydrophobicContact CD-CE1 4.1Å; K247-Y257 HydrophobicContact CG-CD1 4.14Å; K247-Y257 HydrophobicContact CG-CE1 4.03Å
248	V	98.5	Very high	98.5	Very high	24 Å²	24	59.2 Å²	59.2	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-48.5	175.5	173.2	0	0	0	0	110.7	W244 G245 Y246 L250 R251 D252	W244-V248 HydrophobicContact CD2-CG2 3.92Å; W244-V248 HydrophobicContact CE3-CG2 4.38Å; W244-V248 HydrophobicContact CG-CG2 4.44Å; W244-V248 HydrophobicContact CH2-CG2 4.17Å; W244-V248 HydrophobicContact CZ2-CG2 3.68Å; W244-V248 HydrophobicContact CZ3-CG2 4.49Å; W244-V248 WeakPolarHBondContact O-CG2 3.31Å; W244-V248 PolarHBondContact O-N 3.34Å; G245-V248 PolarHBondContact O-N 2.9Å; Y246-V248 VanDerWaalsContact C-N 3.34Å; Y246-V248 PolarHBondContact O-N 2.97Å; V248-L250 VanDerWaalsContact C-N 3.29Å; V248-L250 PolarHBondContact O-N 2.9Å; V248-R251 WeakPolarHBondContact O-CB 3.31Å; V248-R251 PolarHBondContact O-N 3.28Å; V248-D252 VanDerWaalsContact CG1-OD2 3.31Å; V248-D252 WeakPolarHBondContact CG1-OD2 3.41Å; V248-D252 VanDerWaalsContact O-CG 3.23Å; V248-D252 PolarHBondContact O-N 3.48Å
249	A	98.4	Very high	98.5	Very high	26 Å²	26	59.7 Å²	59.7	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-36.8	179.5	0	0	0	0	0	113	K158 G245 Y246 N253	K158-A249 HydrophobicContact CD-CB 4.13Å; G245-A249 VanDerWaalsContact O-CB 3.28Å; G245-A249 WeakPolarHBondContact O-CB 3.17Å; G245-A249 PolarHBondContact O-N 2.77Å; Y246-A249 PolarHBondContact O-N 2.81Å; A249-N253 PolarHBondContact O-N 3.19Å; A249-N253 PolarHBondContact O-ND2 2.76Å
250	L	98.7	Very high	98.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-48.6	173	-70.1	-172.9	0	0	0	111.4	L154 K158 V169 L184 Y246 K247 V248 D252 N253 Q254 V255 Y257	L154-L250 HydrophobicContact CD2-CD1 3.76Å; L154-L250 HydrophobicContact CD2-CD2 3.94Å; L154-L250 HydrophobicContact CD2-CG 4.04Å; K158-L250 HydrophobicContact CD-CD2 4.47Å; K158-L250 HydrophobicContact CG-CD2 3.8Å; V169-L250 HydrophobicContact CB-CD1 4.31Å; V169-L250 HydrophobicContact CG1-CD1 4.41Å; V169-L250 HydrophobicContact CG2-CD2 4.47Å; L184-L250 HydrophobicContact CD2-CD1 3.77Å; Y246-L250 WeakPolarHBondContact O-CG 3.26Å; Y246-L250 PolarHBondContact O-N 2.87Å; K247-L250 PolarHBondContact O-N 3.23Å; V248-L250 VanDerWaalsContact C-N 3.29Å; V248-L250 PolarHBondContact O-N 2.9Å; L250-D252 PolarHBondContact O-N 3.1Å; L250-N253 CarbonylContact O-C 3.59Å; L250-N253 PolarHBondContact O-N 3.48Å; L250-Q254 PolarHBondContact O-N 2.89Å; L250-V255 HydrophobicContact CB-CB 4.07Å; L250-V255 HydrophobicContact CB-CG1 4.45Å; L250-V255 HydrophobicContact CD2-CB 4.05Å; L250-V255 HydrophobicContact CD2-CG1 3.97Å; L250-V255 HydrophobicContact CD2-CG2 4.29Å; L250-V255 WeakPolarHBondContact O-CB 3.42Å; L250-V255 PolarHBondContact O-N 3.47Å; L250-Y257 HydrophobicContact CD1-CD2 4.12Å; L250-Y257 HydrophobicContact CD1-CG 4.11Å
251	R	98.4	Very high	98.5	Very high	165 Å²	165	61.3 Å²	61.3	62%	0.623	30%	0.302	S	S	*	.	H	α-helix	trans	-59.8	-45	178.8	-177.2	-174	65.8	-175.1	-1.4	112.2	K247 V248 N253 Q254	K247-R251 PolarHBondContact O-N 3.49Å; K247-R251 VanDerWaalsContact O-N 3.15Å; V248-R251 WeakPolarHBondContact O-CB 3.31Å; V248-R251 PolarHBondContact O-N 3.28Å; R251-N253 PolarHBondContact O-N 3.43Å; R251-Q254 WeakPolarHBondContact O-CA 3.42Å; R251-Q254 PolarHBondContact O-N 3.47Å
252	D	98.2	Very high	98.5	Very high	92 Å²	92	58.7 Å²	58.7	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-25.7	-178.1	-64.9	-5	0	0	0	111.8	V248 L250 Q254	V248-D252 VanDerWaalsContact CG1-OD2 3.31Å; V248-D252 WeakPolarHBondContact CG1-OD2 3.41Å; V248-D252 VanDerWaalsContact O-CG 3.23Å; V248-D252 PolarHBondContact O-N 3.48Å; L250-D252 PolarHBondContact O-N 3.1Å; D252-Q254 PolarHBondContact O-NE2 3.46Å; D252-Q254 PolarHBondContact O-OE1 2.97Å
253	N	98.1	Very high	98.5	Very high	42 Å²	42	60.5 Å²	60.5	23%	0.225	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10.3	171.4	-73	-85.6	0	0	0	113.4	K78 A161 A249 L250 R251 V255	K78-N253 PolarHBondContact NZ-O 3.35Å; A161-N253 HydrophobicContact CB-CB 4.33Å; A161-N253 WeakPolarHBondContact CB-O 3.3Å; A249-N253 PolarHBondContact O-N 3.19Å; A249-N253 PolarHBondContact O-ND2 2.76Å; L250-N253 CarbonylContact O-C 3.59Å; L250-N253 PolarHBondContact O-N 3.48Å; R251-N253 PolarHBondContact O-N 3.43Å; N253-V255 HydrophobicContact CB-CG2 4.19Å; N253-V255 PolarHBondContact O-N 3.41Å
254	Q	98.1	Very high	98.5	Very high	124 Å²	124	59.5 Å²	59.5	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	32.3	-178	-59.9	74.3	33.3	0	0	113.2	K78 L250 R251 D252	K78-Q254 VanDerWaalsContact CE-OE1 3.28Å; L250-Q254 PolarHBondContact O-N 2.89Å; R251-Q254 WeakPolarHBondContact O-CA 3.42Å; R251-Q254 PolarHBondContact O-N 3.47Å; D252-Q254 PolarHBondContact O-NE2 3.46Å; D252-Q254 PolarHBondContact O-OE1 2.97Å
255	V	98.8	Very high	98.5	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	26%	0.264	C	S	.	.			trans	-84.2	127.2	171.4	179.3	0	0	0	0	108.7	A161 T167 V169 L250 N253 Y257	A161-V255 HydrophobicContact CB-CG2 3.52Å; T167-V255 HydrophobicContact CG2-CG1 4.04Å; V169-V255 HydrophobicContact CB-CG1 4.12Å; V169-V255 HydrophobicContact CG2-CG1 3.57Å; L250-V255 HydrophobicContact CB-CB 4.07Å; L250-V255 HydrophobicContact CB-CG1 4.45Å; L250-V255 HydrophobicContact CD2-CB 4.05Å; L250-V255 HydrophobicContact CD2-CG1 3.97Å; L250-V255 HydrophobicContact CD2-CG2 4.29Å; L250-V255 WeakPolarHBondContact O-CB 3.42Å; L250-V255 PolarHBondContact O-N 3.47Å; N253-V255 HydrophobicContact CB-CG2 4.19Å; N253-V255 PolarHBondContact O-N 3.41Å; V255-Y257 PolarHBondContact O-N 3.02Å
256	T	98.8	Very high	98.5	Very high	52 Å²	52	53.6 Å²	53.6	32%	0.319	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	106.8	174.3	-56.6	0	0	0	0	108.8	T167 A168 V169 L258	T167-T256 PolarHBondContact O-N 3.48Å; A168-T256 CarbonylContact C-O 3.57Å; A168-T256 VanDerWaalsContact CA-O 3.3Å; A168-T256 WeakPolarHBondContact CA-O 3.41Å; V169-T256 PolarHBondContact N-O 3.36Å; T256-L258 HydrophobicContact CG2-CD2 3.89Å; T256-L258 HydrophobicContact CG2-CG 4.07Å
257	Y	98.8	Very high	98.5	Very high	61 Å²	61	53 Å²	53	24%	0.239	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.4	173.1	172.8	-126.9	0	0	0	110.4	D171 L184 K247 L250 V255 N259	D171-Y257 HydrophobicContact CB-CE2 3.81Å; L184-Y257 HydrophobicContact CD1-CD2 4.28Å; L184-Y257 HydrophobicContact CD1-CE2 3.64Å; L184-Y257 HydrophobicContact CD2-CD1 4.5Å; L184-Y257 HydrophobicContact CD2-CD2 4.28Å; L184-Y257 HydrophobicContact CD2-CE1 4.36Å; L184-Y257 HydrophobicContact CD2-CE2 4.17Å; L184-Y257 HydrophobicContact CD2-CG 4.46Å; L184-Y257 HydrophobicContact CG-CE2 4.4Å; K247-Y257 HydrophobicContact CD-CE1 4.1Å; K247-Y257 HydrophobicContact CG-CD1 4.14Å; K247-Y257 HydrophobicContact CG-CE1 4.03Å; L250-Y257 HydrophobicContact CD1-CD2 4.12Å; L250-Y257 HydrophobicContact CD1-CG 4.11Å; V255-Y257 PolarHBondContact O-N 3.02Å; Y257-N259 HydrophobicContact CE1-CB 4.33Å
258	L	98.6	Very high	98.5	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.5	174.5	-55.7	174.8	0	0	0	108.9	V169 L170 D171 T256 A260 I272 I282	V169-L258 PolarHBondContact O-N 3.41Å; L170-L258 WeakPolarHBondContact CA-O 3.44Å; L170-L258 HydrophobicContact CD2-CB 3.65Å; L170-L258 HydrophobicContact CD2-CD1 3.61Å; L170-L258 HydrophobicContact CD2-CG 4.08Å; D171-L258 PolarHBondContact N-O 2.97Å; D171-L258 VanDerWaalsContact N-O 3.08Å; T256-L258 HydrophobicContact CG2-CD2 3.89Å; T256-L258 HydrophobicContact CG2-CG 4.07Å; L258-A260 HydrophobicContact CB-CB 4.33Å; L258-A260 PolarHBondContact O-N 3.32Å; L258-I272 HydrophobicContact CD1-CD1 3.87Å; L258-I282 HydrophobicContact CD1-CD1 4.28Å
259	N	98.5	Very high	98.5	Very high	90 Å²	90	53.5 Å²	53.5	48%	0.481	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	78.2	169.1	-174.6	10.1	0	0	0	109	D171 Y257	D171-N259 CarbonylContact O-C 3.49Å; D171-N259 VanDerWaalsContact O-CA 3.27Å; D171-N259 WeakPolarHBondContact O-CA 3.45Å; D171-N259 PolarHBondContact O-OD1 3.21Å; Y257-N259 HydrophobicContact CE1-CB 4.33Å
260	A	98.6	Very high	98.5	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143	-171.7	0	0	0	0	0	110.8	D171 L258 G262 I272 T273	D171-A260 PolarHBondContact O-N 2.9Å; L258-A260 HydrophobicContact CB-CB 4.33Å; L258-A260 PolarHBondContact O-N 3.32Å; A260-G262 PolarHBondContact O-N 3.39Å; A260-I272 HydrophobicContact CB-CB 4.16Å; A260-T273 CarbonylContact C-O 3.43Å; A260-T273 VanDerWaalsContact CA-O 3.29Å; A260-T273 WeakPolarHBondContact CA-O 3.41Å; A260-T273 WeakPolarHBondContact CB-O 3.35Å
261	K	98.5	Very high	98.5	Very high	68 Å²	68	55.1 Å²	55.1	30%	0.296	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.6	176	-170.5	167.5	-177.3	162.3	0	109	Y172 E174 I272 T273	Y172-K261 HydrophobicContact CD1-CB 3.87Å; Y172-K261 HydrophobicContact CD1-CD 3.88Å; Y172-K261 HydrophobicContact CD1-CG 4Å; Y172-K261 HydrophobicContact CD2-CB 4.49Å; Y172-K261 HydrophobicContact CE1-CB 4.49Å; Y172-K261 HydrophobicContact CE1-CD 3.97Å; Y172-K261 HydrophobicContact CG-CB 3.86Å; Y172-K261 HydrophobicContact CG-CG 4.45Å; E174-K261 IonicContact OE2-NZ 3.57Å; E174-K261 PolarHBondContact OE2-NZ 3.39Å; K261-I272 WeakPolarHBondContact O-CA 3.44Å; K261-T273 PolarHBondContact N-O 3.37Å; K261-T273 PolarHBondContact O-N 3.02Å
262	G	98.5	Very high	98.5	Very high	6 Å²	6	48 Å²	48	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.3	178.4	0	0	0	0	0	112.5	A260 Q271	A260-G262 PolarHBondContact O-N 3.39Å; G262-Q271 CarbonylContact C-O 3.56Å; G262-Q271 WeakPolarHBondContact CA-O 3.31Å
263	R	98.6	Very high	98.5	Very high	79 Å²	79	45 Å²	45	30%	0.298	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.1	171.6	-175.8	177.6	177.9	79.3	-0.4	110.1	I265 V270 Q271 S432 V434	R263-I265 HydrophobicContact CG-CG2 4.12Å; R263-I265 PolarHBondContact O-N 3Å; R263-V270 CarbonylContact O-C 3.2Å; R263-V270 WeakPolarHBondContact O-CA 3.4Å; R263-Q271 HydrophobicContact CB-CB 4.45Å; R263-Q271 PolarHBondContact N-O 2.87Å; R263-Q271 PolarHBondContact O-N 3.41Å; R263-S432 PolarHBondContact NH1-O 3.13Å; R263-V434 CarbonylContact C-O 3.59Å; R263-V434 WeakPolarHBondContact CA-O 3.26Å
264	L	98.7	Very high	98.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.8	175.7	-174.2	65.6	0	0	0	109.2	I147 S266 V270 I287 V434 C436 V439 V462	I147-L264 HydrophobicContact CD1-CB 4.34Å; L264-S266 WeakPolarHBondContact CD1-O 3.27Å; L264-V270 HydrophobicContact CD1-CG2 3.85Å; L264-I287 HydrophobicContact CD1-CG1 4.09Å; L264-I287 HydrophobicContact CD1-CG2 4.13Å; L264-V434 PolarHBondContact N-O 3.43Å; L264-C436 WeakPolarHBondContact O-CB 3.49Å; L264-C436 PolarHBondContact O-N 3.05Å; L264-V439 HydrophobicContact CD2-CG1 3.95Å; L264-V439 HydrophobicContact CG-CG1 4.25Å; L264-V439 HydrophobicContact CG-CG2 4.26Å; L264-V462 HydrophobicContact CD2-CG1 4.15Å; L264-V462 HydrophobicContact CD2-CG2 4.13Å
265	I	98.4	Very high	98.3	Very high	49 Å²	49	47.4 Å²	47.4	25%	0.251	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-25.3	-173.5	56.3	166.1	0	0	0	113	R263 E269 Q271 T281	R263-I265 HydrophobicContact CG-CG2 4.12Å; R263-I265 PolarHBondContact O-N 3Å; I265-E269 HydrophobicContact CD1-CB 4.14Å; I265-E269 HydrophobicContact CG1-CB 3.84Å; I265-E269 VanDerWaalsContact CG1-O 3.3Å; I265-E269 WeakPolarHBondContact CG1-O 3.42Å; I265-E269 PolarHBondContact N-O 3.28Å; I265-Q271 HydrophobicContact CD1-CB 4.23Å; I265-Q271 HydrophobicContact CG2-CB 3.96Å; I265-T281 HydrophobicContact CD1-CG2 4.25Å
266	S	98.2	Very high	98.1	Very high	27 Å²	27	52.7 Å²	52.7	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	171.6	171	85.2	0	0	0	0	109.1	L264 H268 E269	L264-S266 WeakPolarHBondContact CD1-O 3.27Å; S266-H268 PolarHBondContact O-N 2.95Å; S266-E269 VanDerWaalsContact CB-OE2 3.29Å; S266-E269 WeakPolarHBondContact CB-OE2 3.5Å; S266-E269 PolarHBondContact N-O 2.92Å; S266-E269 PolarHBondContact O-N 3.21Å; S266-E269 VanDerWaalsContact OG-CB 3.24Å; S266-E269 WeakPolarHBondContact OG-CB 3.42Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 2.9Å; S266-E269 PolarHBondContact OG-OE2 3.39Å
267	P	98.3	Very high	98	Very high	52 Å²	52	57.1 Å²	57.1	34%	0.338	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.7	-177.6	-28.9	36.4	0	0	0	114.9	V459 N461	P267-V459 HydrophobicContact CB-CG1 4.15Å; P267-V459 HydrophobicContact CG-CG1 4.42Å; P267-N461 PolarHBondContact O-ND2 3.43Å
268	H	98.7	Very high	97.9	Very high	50 Å²	50	60.9 Å²	60.9	23%	0.231	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	1.2	-175.8	-69.5	-71.3	0	0	0	114.2	Y140 S266 T283 G284 N285 N461	Y140-H268 HydrophobicContact CD1-CB 4.3Å; Y140-H268 HydrophobicContact CE1-CB 3.86Å; Y140-H268 AromaticContact CE1-CG 3.77Å; Y140-H268 AromaticContact CE1-ND1 3.89Å; Y140-H268 AromaticContact CZ-CE1 3.92Å; Y140-H268 AromaticContact CZ-CG 3.96Å; Y140-H268 AromaticContact CZ-ND1 3.73Å; S266-H268 PolarHBondContact O-N 2.95Å; H268-T283 CarbonylContact O-C 3.36Å; H268-T283 WeakPolarHBondContact O-CA 3.32Å; H268-G284 PolarHBondContact ND1-O 3.39Å; H268-G284 PolarHBondContact O-N 2.92Å; H268-N285 PolarHBondContact CE1-O 3.32Å; H268-N285 PolarHBondContact ND1-O 3.09Å; H268-N285 VanDerWaalsContact ND1-O 3.14Å; H268-N461 PolarHBondContact CE1-ND2 3.13Å; H268-N461 PolarHBondContact ND1-ND2 2.99Å
269	E	98.8	Very high	97.9	Very high	82 Å²	82	62.4 Å²	62.4	38%	0.383	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.4	-174.6	-64.7	166.8	138.2	0	0	111.4	I265 S266 T281 T283	I265-E269 HydrophobicContact CD1-CB 4.14Å; I265-E269 HydrophobicContact CG1-CB 3.84Å; I265-E269 VanDerWaalsContact CG1-O 3.3Å; I265-E269 WeakPolarHBondContact CG1-O 3.42Å; I265-E269 PolarHBondContact N-O 3.28Å; S266-E269 VanDerWaalsContact CB-OE2 3.29Å; S266-E269 WeakPolarHBondContact CB-OE2 3.5Å; S266-E269 PolarHBondContact N-O 2.92Å; S266-E269 PolarHBondContact O-N 3.21Å; S266-E269 VanDerWaalsContact OG-CB 3.24Å; S266-E269 WeakPolarHBondContact OG-CB 3.42Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 2.9Å; S266-E269 PolarHBondContact OG-OE2 3.39Å; E269-T281 HydrophobicContact CB-CG2 3.88Å; E269-T281 HydrophobicContact CG-CG2 4.29Å; E269-T283 HydrophobicContact CG-CG2 4.09Å
270	V	98.8	Very high	97.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.4	175.3	-176.4	0	0	0	0	108.6	I145 I147 L170 R263 L264 I272 T281 I282 I287	I145-V270 HydrophobicContact CB-CG2 4.5Å; I145-V270 HydrophobicContact CD1-CB 4.26Å; I145-V270 HydrophobicContact CD1-CG2 3.97Å; I145-V270 HydrophobicContact CG2-CB 4.49Å; I145-V270 HydrophobicContact CG2-CG2 4.07Å; I147-V270 HydrophobicContact CD1-CG1 3.84Å; I147-V270 HydrophobicContact CD1-CG2 4.06Å; I147-V270 HydrophobicContact CG1-CG1 4.46Å; L170-V270 HydrophobicContact CD1-CG1 3.63Å; R263-V270 CarbonylContact O-C 3.2Å; R263-V270 WeakPolarHBondContact O-CA 3.4Å; L264-V270 HydrophobicContact CD1-CG2 3.85Å; V270-I272 HydrophobicContact CG1-CG2 4.18Å; V270-T281 WeakPolarHBondContact O-CA 3.34Å; V270-I282 HydrophobicContact CB-CG1 4.29Å; V270-I282 PolarHBondContact N-O 3.14Å; V270-I282 PolarHBondContact O-N 2.81Å; V270-I287 HydrophobicContact CG2-CD1 3.98Å
271	Q	98.8	Very high	97.9	Very high	59 Å²	59	63.7 Å²	63.7	28%	0.276	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.2	168.3	-176.5	-176.8	-33.7	0	0	108.5	G262 R263 I265 V279 S280	G262-Q271 CarbonylContact C-O 3.56Å; G262-Q271 WeakPolarHBondContact CA-O 3.31Å; R263-Q271 HydrophobicContact CB-CB 4.45Å; R263-Q271 PolarHBondContact N-O 2.87Å; R263-Q271 PolarHBondContact O-N 3.41Å; I265-Q271 HydrophobicContact CD1-CB 4.23Å; I265-Q271 HydrophobicContact CG2-CB 3.96Å; Q271-V279 HydrophobicContact CG-CG1 3.52Å; Q271-V279 VanDerWaalsContact NE2-CG1 3.27Å; Q271-S280 CarbonylContact C-O 3.51Å; Q271-S280 WeakPolarHBondContact CA-O 3.43Å
272	I	98.5	Very high	97.9	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	178.1	61	174.1	0	0	0	109.6	L170 L258 A260 K261 V270 V279 S280 I282	L170-I272 HydrophobicContact CD1-CG2 3.59Å; L170-I272 HydrophobicContact CD2-CG2 3.92Å; L170-I272 HydrophobicContact CG-CG2 4.43Å; L258-I272 HydrophobicContact CD1-CD1 3.87Å; A260-I272 HydrophobicContact CB-CB 4.16Å; K261-I272 WeakPolarHBondContact O-CA 3.44Å; V270-I272 HydrophobicContact CG1-CG2 4.18Å; I272-V279 WeakPolarHBondContact O-CA 3.49Å; I272-S280 WeakPolarHBondContact CD1-OG 3.34Å; I272-S280 WeakPolarHBondContact CG1-O 3.45Å; I272-S280 VanDerWaalsContact CG1-OG 3.26Å; I272-S280 WeakPolarHBondContact CG1-OG 3.22Å; I272-S280 PolarHBondContact N-O 3.43Å; I272-S280 PolarHBondContact O-N 3.21Å; I272-I282 HydrophobicContact CD1-CG2 4.12Å; I272-I282 HydrophobicContact CG2-CD1 4.18Å; I272-I282 HydrophobicContact CG2-CG1 4.15Å
273	T	98.5	Very high	97.9	Very high	30 Å²	30	62.6 Å²	62.6	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.6	173.3	-51.3	0	0	0	0	108.7	A260 K261 K278 V279	A260-T273 CarbonylContact C-O 3.43Å; A260-T273 VanDerWaalsContact CA-O 3.29Å; A260-T273 WeakPolarHBondContact CA-O 3.41Å; A260-T273 WeakPolarHBondContact CB-O 3.35Å; K261-T273 PolarHBondContact N-O 3.37Å; K261-T273 PolarHBondContact O-N 3.02Å; T273-K278 WeakPolarHBondContact CA-O 3.47Å; T273-V279 HydrophobicContact CG2-CG2 4.28Å
274	D	96.2	Very high	97.9	Very high	50 Å²	50	58.8 Å²	58.8	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	178.8	-179.9	75.7	10.6	0	0	0	112.6	N276 Q277 K278	D274-N276 PolarHBondContact O-N 2.95Å; D274-N276 VanDerWaalsContact O-N 3.08Å; D274-N276 VanDerWaalsContact OD1-CA 3.31Å; D274-N276 WeakPolarHBondContact OD1-CA 3.39Å; D274-N276 WeakPolarHBondContact OD1-CB 3.48Å; D274-N276 PolarHBondContact OD1-N 3.4Å; D274-Q277 PolarHBondContact O-N 2.86Å; D274-Q277 PolarHBondContact OD1-N 3.13Å; D274-K278 PolarHBondContact N-O 2.79Å; D274-K278 VanDerWaalsContact N-O 3.11Å; D274-K278 WeakPolarHBondContact OD1-CB 3.35Å; D274-K278 PolarHBondContact OD1-N 3.26Å
275	K	94.2	Very high	97.9	Very high	165 Å²	165	60 Å²	60	72%	0.717	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.4	177.6	65	174.2	-174.7	175.3	0	114.6
276	N	95.2	Very high	98	Very high	120 Å²	120	59.2 Å²	59.2	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	12.6	-179.4	-59.5	-27.5	0	0	0	112.1	D274 K278	D274-N276 PolarHBondContact O-N 2.95Å; D274-N276 VanDerWaalsContact O-N 3.08Å; D274-N276 VanDerWaalsContact OD1-CA 3.31Å; D274-N276 WeakPolarHBondContact OD1-CA 3.39Å; D274-N276 WeakPolarHBondContact OD1-CB 3.48Å; D274-N276 PolarHBondContact OD1-N 3.4Å; N276-K278 PolarHBondContact O-N 2.8Å
277	Q	96.2	Very high	98	Very high	144 Å²	144	57.9 Å²	57.9	67%	0.673	30%	0.297	S	S	*	.			trans	61.3	17.5	-173.3	-56.3	-61.8	-52.2	0	0	113.9	D274 V279	D274-Q277 PolarHBondContact O-N 2.86Å; D274-Q277 PolarHBondContact OD1-N 3.13Å; Q277-V279 PolarHBondContact O-N 3.27Å
278	K	97.7	Very high	98	Very high	141 Å²	141	55.4 Å²	55.4	61%	0.613	28%	0.281	S	S	*	.			trans	-76	125.5	174.2	-174.9	-177.4	176.1	-177.2	0	108.9	T273 D274 N276	T273-K278 WeakPolarHBondContact CA-O 3.47Å; D274-K278 PolarHBondContact N-O 2.79Å; D274-K278 VanDerWaalsContact N-O 3.11Å; D274-K278 WeakPolarHBondContact OD1-CB 3.35Å; D274-K278 PolarHBondContact OD1-N 3.26Å; N276-K278 PolarHBondContact O-N 2.8Å
279	V	98.4	Very high	98	Very high	78 Å²	78	53 Å²	53	47%	0.473	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.2	178.4	-178.7	0	0	0	0	110.2	Q271 I272 T273 Q277	Q271-V279 HydrophobicContact CG-CG1 3.52Å; Q271-V279 VanDerWaalsContact NE2-CG1 3.27Å; I272-V279 WeakPolarHBondContact O-CA 3.49Å; T273-V279 HydrophobicContact CG2-CG2 4.28Å; Q277-V279 PolarHBondContact O-N 3.27Å
280	S	98.4	Very high	98	Very high	52 Å²	52	49.7 Å²	49.7	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	169.6	168.1	54.8	0	0	0	0	110.2	Q271 I272	Q271-S280 CarbonylContact C-O 3.51Å; Q271-S280 WeakPolarHBondContact CA-O 3.43Å; I272-S280 WeakPolarHBondContact CD1-OG 3.34Å; I272-S280 WeakPolarHBondContact CG1-O 3.45Å; I272-S280 VanDerWaalsContact CG1-OG 3.26Å; I272-S280 WeakPolarHBondContact CG1-OG 3.22Å; I272-S280 PolarHBondContact N-O 3.43Å; I272-S280 PolarHBondContact O-N 3.21Å
281	T	98.7	Very high	98	Very high	70 Å²	70	51.7 Å²	51.7	43%	0.429	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.3	176.5	-58.9	0	0	0	0	109.4	I265 E269 V270	I265-T281 HydrophobicContact CD1-CG2 4.25Å; E269-T281 HydrophobicContact CB-CG2 3.88Å; E269-T281 HydrophobicContact CG-CG2 4.29Å; V270-T281 WeakPolarHBondContact O-CA 3.34Å
282	I	98.7	Very high	98	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.3	170.5	56.3	167.2	0	0	0	109.6	Y142 I145 A168 L170 L258 V270 I272	Y142-I282 HydrophobicContact CD2-CD1 4.31Å; Y142-I282 HydrophobicContact CE2-CB 4.23Å; Y142-I282 HydrophobicContact CE2-CD1 4.09Å; Y142-I282 HydrophobicContact CE2-CG2 4.32Å; I145-I282 HydrophobicContact CD1-CB 4.46Å; I145-I282 HydrophobicContact CD1-CD1 3.74Å; I145-I282 HydrophobicContact CD1-CG1 3.8Å; I145-I282 HydrophobicContact CG1-CD1 4.19Å; I145-I282 HydrophobicContact CG2-CD1 4.33Å; A168-I282 HydrophobicContact CB-CD1 4.43Å; L170-I282 HydrophobicContact CD2-CD1 4.19Å; L258-I282 HydrophobicContact CD1-CD1 4.28Å; V270-I282 HydrophobicContact CB-CG1 4.29Å; V270-I282 PolarHBondContact N-O 3.14Å; V270-I282 PolarHBondContact O-N 2.81Å; I272-I282 HydrophobicContact CD1-CG2 4.12Å; I272-I282 HydrophobicContact CG2-CD1 4.18Å; I272-I282 HydrophobicContact CG2-CG1 4.15Å
283	T	98.9	Very high	98	Very high	32 Å²	32	49.1 Å²	49.1	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.5	-177.4	59.7	0	0	0	0	112.7	Y140 D141 Y142 H268 E269	Y140-T283 WeakPolarHBondContact CA-OG1 3.46Å; D141-T283 WeakPolarHBondContact CB-O 3.38Å; D141-T283 VanDerWaalsContact CG-OG1 3.28Å; D141-T283 PolarHBondContact N-O 2.98Å; D141-T283 PolarHBondContact N-OG1 3.2Å; D141-T283 PolarHBondContact OD2-N 3.21Å; D141-T283 PolarHBondContact OD2-OG1 2.95Å; Y142-T283 PolarHBondContact N-O 3.44Å; H268-T283 CarbonylContact O-C 3.36Å; H268-T283 WeakPolarHBondContact O-CA 3.32Å; E269-T283 HydrophobicContact CG-CG2 4.09Å
284	G	98.7	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136	-178.2	0	0	0	0	0	112.9	Y142 H268	Y142-G284 VanDerWaalsContact O-CA 3.32Å; Y142-G284 WeakPolarHBondContact O-CA 3.48Å; H268-G284 PolarHBondContact ND1-O 3.39Å; H268-G284 PolarHBondContact O-N 2.92Å
285	N	98.6	Very high	98.1	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-56	172.4	-174.8	-6.2	0	0	0	110.4	Y140 Y142 H268 N461	Y140-N285 HydrophobicContact CD2-CB 3.58Å; Y140-N285 HydrophobicContact CE2-CB 3.86Å; Y140-N285 HydrophobicContact CG-CB 4.5Å; Y142-N285 PolarHBondContact O-N 2.82Å; H268-N285 PolarHBondContact CE1-O 3.32Å; H268-N285 PolarHBondContact ND1-O 3.09Å; H268-N285 VanDerWaalsContact ND1-O 3.14Å; N285-N461 PolarHBondContact O-ND2 3.07Å
286	K	98.8	Very high	98.3	Very high	32 Å²	32	44.3 Å²	44.3	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.7	176.2	-50.5	-54.1	-179.2	-158.4	0	110.1	D143 L144 I145 N461 F491	D143-K286 PolarHBondContact O-N 3.48Å; L144-K286 WeakPolarHBondContact CA-O 3.36Å; L144-K286 HydrophobicContact CD1-CB 4.29Å; I145-K286 PolarHBondContact N-O 3.01Å; K286-N461 WeakPolarHBondContact CA-O 3.32Å; K286-N461 HydrophobicContact CD-CB 4.24Å; K286-F491 HydrophobicContact CG-CZ 4.31Å
287	I	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.5	176.9	-48.8	-62.9	0	0	0	108.9	I145 I147 L264 V270 N461 V462 Y463	I145-I287 HydrophobicContact CB-CD1 3.86Å; I145-I287 HydrophobicContact CD1-CD1 4.08Å; I145-I287 HydrophobicContact CG1-CD1 4.28Å; I145-I287 WeakPolarHBondContact O-CA 3.31Å; I147-I287 HydrophobicContact CD1-CG2 4.31Å; I147-I287 HydrophobicContact CG1-CG2 4.46Å; L264-I287 HydrophobicContact CD1-CG1 4.09Å; L264-I287 HydrophobicContact CD1-CG2 4.13Å; V270-I287 HydrophobicContact CG2-CD1 3.98Å; I287-N461 PolarHBondContact N-O 3.06Å; I287-V462 HydrophobicContact CB-CG1 4.43Å; I287-V462 HydrophobicContact CB-CG2 4.24Å; I287-V462 HydrophobicContact CG1-CG2 4.47Å; I287-V462 WeakPolarHBondContact O-CA 3.32Å; I287-Y463 PolarHBondContact O-N 3.06Å
288	I	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.9	171.1	-68.2	174	0	0	0	109	L144 I145 V146 I147 A156 A290 Y463 I465 L486	L144-I288 HydrophobicContact CD1-CB 4.22Å; L144-I288 HydrophobicContact CD1-CD1 3.64Å; L144-I288 HydrophobicContact CD1-CG1 3.66Å; L144-I288 HydrophobicContact CD2-CD1 4.07Å; L144-I288 HydrophobicContact CG-CD1 4.5Å; I145-I288 PolarHBondContact O-N 2.66Å; V146-I288 CarbonylContact C-O 3.5Å; V146-I288 WeakPolarHBondContact CA-O 3.38Å; V146-I288 HydrophobicContact CG1-CB 4.43Å; V146-I288 HydrophobicContact CG1-CG2 4.28Å; V146-I288 HydrophobicContact CG2-CB 4.33Å; I147-I288 PolarHBondContact N-O 3.18Å; A156-I288 HydrophobicContact CB-CD1 3.98Å; I288-A290 HydrophobicContact CG2-CB 4.37Å; I288-Y463 WeakPolarHBondContact CA-O 3.31Å; I288-I465 HydrophobicContact CG2-CD1 3.73Å; I288-I465 HydrophobicContact CG2-CG1 3.79Å; I288-I465 HydrophobicContact CG2-CG2 4.46Å; I288-L486 HydrophobicContact CD1-CD2 3.72Å; I288-L486 HydrophobicContact CD1-CG 4.34Å; I288-L486 HydrophobicContact CG1-CD2 3.97Å
289	L	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.7	170.2	-57.4	169.3	0	0	0	108.6	I147 V434 L435 V449 V462 Y463 A464 I465 I468	I147-L289 HydrophobicContact CD1-CD2 4.05Å; L289-V434 HydrophobicContact CD2-CG1 4.43Å; L289-L435 HydrophobicContact CD1-CD1 4.03Å; L289-L435 HydrophobicContact CD1-CD2 3.8Å; L289-L435 HydrophobicContact CD1-CG 4.28Å; L289-L435 HydrophobicContact CD2-CD1 4.2Å; L289-L435 HydrophobicContact CD2-CG 4.49Å; L289-V449 HydrophobicContact CD1-CG2 4.39Å; L289-V462 HydrophobicContact CD1-CG1 3.81Å; L289-V462 HydrophobicContact CG-CG1 4.09Å; L289-Y463 PolarHBondContact N-O 3.3Å; L289-A464 HydrophobicContact CB-CB 4Å; L289-A464 HydrophobicContact CD1-CB 4.48Å; L289-A464 WeakPolarHBondContact O-CA 3.47Å; L289-I465 PolarHBondContact O-N 2.77Å; L289-I468 HydrophobicContact CB-CD1 3.6Å; L289-I468 WeakPolarHBondContact O-CD1 3.37Å
290	A	98.8	Very high	98.6	Very high	11 Å²	11	36.5 Å²	36.5	9%	0.091	19%	0.193	C	C	.	.			trans	-144.7	35.5	-176.5	0	0	0	0	0	111.4	V146 I147 I288 G292 I465	V146-A290 HydrophobicContact CG1-CB 4.21Å; I147-A290 CarbonylContact O-C 3.56Å; I147-A290 VanDerWaalsContact O-C 3.3Å; I147-A290 WeakPolarHBondContact O-CA 3.35Å; I147-A290 PolarHBondContact O-N 3.17Å; I288-A290 HydrophobicContact CG2-CB 4.37Å; A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.24Å; A290-I465 HydrophobicContact CB-CD1 4.28Å; A290-I465 HydrophobicContact CB-CG1 3.87Å
291	T	98.7	Very high	98.6	Very high	43 Å²	43	38 Å²	38	26%	0.264	20%	0.201	S	C	.	.			trans	-79	-4.5	-168.5	55.7	0	0	0	0	115.3	I147 L431 V434	I147-T291 HydrophobicContact CB-CG2 4.35Å; I147-T291 HydrophobicContact CG2-CG2 3.88Å; I147-T291 VanDerWaalsContact O-CG2 3.26Å; I147-T291 WeakPolarHBondContact O-CG2 3.25Å; I147-T291 PolarHBondContact O-N 3.43Å; T291-L431 WeakPolarHBondContact OG1-CD2 3.49Å; T291-V434 HydrophobicContact CG2-CG1 3.88Å; T291-V434 HydrophobicContact CG2-CG2 3.99Å
292	G	98.4	Very high	98.6	Very high	16 Å²	16	34.9 Å²	34.9	17%	0.165	18%	0.184	C	C	.	.			trans	60.5	-161.7	179.7	0	0	0	0	0	113.9	A290 I468	A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.24Å; G292-I468 WeakPolarHBondContact O-CG2 3.39Å
293	E	98.7	Very high	98.6	Very high	5 Å²	5	34 Å²	34	2%	0.023	18%	0.179	C	C	.	.			trans	-122.2	164.2	176.6	-61.3	-172.6	154.5	0	0	110.9	R427 E428 P429 R448 D467 Q474	E293-R427 HydrophobicContact CB-CB 3.83Å; E293-R427 PolarHBondContact O-NH2 2.89Å; E293-R427 WeakPolarHBondContact OE2-CB 3.11Å; E293-E428 CarbonylContact C-O 3.58Å; E293-E428 WeakPolarHBondContact CA-O 3.48Å; E293-E428 WeakPolarHBondContact CB-O 3.43Å; E293-P429 HydrophobicContact CG-CB 4.34Å; E293-R448 IonicContact OE1-CZ 2.79Å; E293-R448 IonicContact OE1-NE 2.64Å; E293-R448 PolarHBondContact OE1-NE 3.27Å; E293-R448 IonicContact OE1-NH2 2.68Å; E293-R448 PolarHBondContact OE1-NH2 3.08Å; E293-R448 IonicContact OE2-NH2 3.19Å; E293-D467 HydrophobicContact CG-CB 3.89Å; E293-Q474 PolarHBondContact OE1-NE2 2.89Å; E293-Q474 PolarHBondContact OE2-NE2 3.35Å
294	R	98.7	Very high	98.6	Very high	44 Å²	44	35.6 Å²	35.6	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.3	173.5	-62.4	-60.4	-61.1	-80.2	0.9	111	E174 D311 R427 E428	E174-R294 PolarHBondContact O-NH1 2.92Å; E174-R294 PolarHBondContact O-NH2 2.83Å; R294-D311 IonicContact CZ-OD2 3.41Å; R294-D311 VanDerWaalsContact CZ-OD2 3.23Å; R294-D311 IonicContact NE-OD2 3.07Å; R294-D311 PolarHBondContact NE-OD2 3.04Å; R294-D311 IonicContact NH2-OD2 2.67Å; R294-D311 PolarHBondContact NH2-OD2 2.95Å; R294-R427 CarbonylContact O-C 3.59Å; R294-R427 WeakPolarHBondContact O-CA 3.49Å; R294-R427 WeakPolarHBondContact O-CB 3.39Å; R294-E428 PolarHBondContact N-O 3.47Å; R294-E428 PolarHBondContact O-N 3.47Å
295	P	98.6	Very high	98.6	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	141.3	178.4	-23.4	33.2	0	0	0	112.8	T309 D311	P295-T309 HydrophobicContact CB-CG2 3.53Å; P295-T309 HydrophobicContact CG-CG2 4.14Å; P295-D311 VanDerWaalsContact CD-CG 3.45Å; P295-D311 WeakPolarHBondContact CD-OD1 3.49Å; P295-D311 WeakPolarHBondContact CD-OD2 3.36Å; P295-D311 HydrophobicContact CG-CB 4.21Å; P295-D311 VanDerWaalsContact CG-CG 3.4Å; P295-D311 VanDerWaalsContact CG-OD1 3.27Å; P295-D311 WeakPolarHBondContact CG-OD1 3.32Å
296	K	98.4	Very high	98.6	Very high	84 Å²	84	44.5 Å²	44.5	37%	0.365	23%	0.226	S	C	.	.			trans	-83.5	143.8	168.4	-70.7	-174.9	173.8	-167.2	0	110.5	V425 G426 E428	K296-V425 HydrophobicContact CB-CG2 4.03Å; K296-V425 WeakPolarHBondContact O-CG2 3.39Å; K296-G426 PolarHBondContact N-O 2.83Å; K296-E428 HydrophobicContact CD-CB 4.46Å; K296-E428 VanDerWaalsContact CE-CB 3.45Å; K296-E428 VanDerWaalsContact CE-OE2 3.31Å; K296-E428 WeakPolarHBondContact CE-OE2 3.3Å; K296-E428 HydrophobicContact CG-CB 4.08Å; K296-E428 HydrophobicContact CG-CG 3.74Å
297	Y	98.6	Very high	98.5	Very high	50 Å²	50	43 Å²	43	20%	0.196	22%	0.219	C	C	.	.			trans	-104.2	141.6	163.7	-77.1	-98.8	0	0	0	109.4	P177 A303 V304 T309 F423	P177-Y297 HydrophobicContact CG-CE2 4.01Å; Y297-A303 HydrophobicContact CD1-CB 4.36Å; Y297-A303 WeakPolarHBondContact CD1-O 3.31Å; Y297-A303 WeakPolarHBondContact CE1-O 3.42Å; Y297-V304 HydrophobicContact CD1-CG2 3.95Å; Y297-V304 HydrophobicContact CG-CG2 3.91Å; Y297-T309 HydrophobicContact CD2-CG2 4.24Å; Y297-T309 HydrophobicContact CE1-CG2 4.01Å; Y297-T309 HydrophobicContact CE2-CG2 3.46Å; Y297-T309 VanDerWaalsContact CE2-CG2 3.46Å; Y297-T309 VanDerWaalsContact OH-CG2 3.3Å; Y297-T309 WeakPolarHBondContact OH-CG2 3.21Å; Y297-F423 AromaticContact CD1-CD2 3.8Å; Y297-F423 HydrophobicContact CD1-CD2 3.8Å; Y297-F423 HydrophobicContact CD1-CE2 4.28Å; Y297-F423 HydrophobicContact CD1-CG 4.42Å; Y297-F423 AromaticContact CE1-CD2 3.86Å; Y297-F423 HydrophobicContact CE1-CD2 3.86Å; Y297-F423 HydrophobicContact CE1-CE2 4.47Å
298	P	98.1	Very high	98.5	Very high	30 Å²	30	43.2 Å²	43.2	20%	0.195	22%	0.221	C	C	.	.			trans	-69.2	147.8	169.5	28.4	-31.1	0	0	0	110.9	I300 A303 F423	P298-I300 HydrophobicContact CB-CG1 4.35Å; P298-I300 HydrophobicContact CG-CD1 4.06Å; P298-I300 HydrophobicContact CG-CG1 4.06Å; P298-I300 PolarHBondContact O-N 3.36Å; P298-A303 HydrophobicContact CG-CB 4.14Å; P298-F423 VanDerWaalsContact CD-CD1 3.45Å; P298-F423 HydrophobicContact CG-CD1 3.53Å; P298-F423 HydrophobicContact CG-CE1 3.33Å; P298-F423 HydrophobicContact CG-CG 4.37Å; P298-F423 HydrophobicContact CG-CZ 4.05Å
299	E	98.3	Very high	98.5	Very high	206 Å²	206	43.3 Å²	43.3	96%	0.963	22%	0.221	S	C	*	.	S	Bend	trans	-78.7	67	176.8	-62.9	-174.3	137.7	0	0	111.1
300	I	98.5	Very high	98.5	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.164	22%	0.224	C	C	.	.	S	Bend	trans	-129.9	150.9	176.3	65.5	178.7	0	0	0	110.6	P298 G302 A303 P383 D384 I386 F423	P298-I300 HydrophobicContact CB-CG1 4.35Å; P298-I300 HydrophobicContact CG-CD1 4.06Å; P298-I300 HydrophobicContact CG-CG1 4.06Å; P298-I300 PolarHBondContact O-N 3.36Å; I300-G302 PolarHBondContact O-N 2.87Å; I300-A303 HydrophobicContact CD1-CB 4.44Å; I300-A303 HydrophobicContact CG1-CB 3.69Å; I300-A303 WeakPolarHBondContact O-CB 3.26Å; I300-A303 PolarHBondContact O-N 2.63Å; I300-P383 HydrophobicContact CD1-CB 3.64Å; I300-P383 HydrophobicContact CD1-CG 3.79Å; I300-D384 WeakPolarHBondContact CB-O 3.27Å; I300-I386 HydrophobicContact CD1-CG1 4.31Å; I300-F423 HydrophobicContact CD1-CE1 4.42Å; I300-F423 HydrophobicContact CD1-CZ 4.48Å
301	P	98.5	Very high	98.5	Very high	83 Å²	83	43.3 Å²	43.3	54%	0.539	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	135.3	178.8	-19.5	31.6	0	0	0	111.9	A303 E385 I386	P301-A303 VanDerWaalsContact C-N 3.29Å; P301-A303 PolarHBondContact O-N 3.22Å; P301-E385 HydrophobicContact CB-CG 4.3Å; P301-I386 PolarHBondContact O-N 3.3Å
302	G	98.4	Very high	98.5	Very high	6 Å²	6	41.2 Å²	41.2	6%	0.062	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-3.5	177.7	0	0	0	0	0	115.2	I300 E305 Y306 I386	I300-G302 PolarHBondContact O-N 2.87Å; G302-E305 VanDerWaalsContact C-OE2 3.24Å; G302-E305 WeakPolarHBondContact CA-OE2 3.49Å; G302-E305 PolarHBondContact N-OE2 3.12Å; G302-Y306 WeakPolarHBondContact O-CB 3.48Å; G302-Y306 PolarHBondContact O-N 3.02Å; G302-I386 WeakPolarHBondContact CA-O 3.45Å
303	A	98.4	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-49.6	-179.7	0	0	0	0	0	112.4	Y297 P298 I300 P301 G307 F423	Y297-A303 HydrophobicContact CD1-CB 4.36Å; Y297-A303 WeakPolarHBondContact CD1-O 3.31Å; Y297-A303 WeakPolarHBondContact CE1-O 3.42Å; P298-A303 HydrophobicContact CG-CB 4.14Å; I300-A303 HydrophobicContact CD1-CB 4.44Å; I300-A303 HydrophobicContact CG1-CB 3.69Å; I300-A303 WeakPolarHBondContact O-CB 3.26Å; I300-A303 PolarHBondContact O-N 2.63Å; P301-A303 VanDerWaalsContact C-N 3.29Å; P301-A303 PolarHBondContact O-N 3.22Å; A303-G307 WeakPolarHBondContact O-CA 3.3Å; A303-G307 PolarHBondContact O-N 2.9Å; A303-F423 HydrophobicContact CB-CE1 4.43Å; A303-F423 HydrophobicContact CB-CE2 3.77Å; A303-F423 HydrophobicContact CB-CZ 3.65Å; A303-F423 VanDerWaalsContact O-CE2 3.26Å; A303-F423 WeakPolarHBondContact O-CE2 3.36Å
304	V	98.5	Very high	98.6	Very high	65 Å²	65	40.4 Å²	40.4	39%	0.394	20%	0.2	S	C	.	.	H	α-helix	trans	-78.5	-31.7	-176.6	176.9	0	0	0	0	111	P177 Y297	P177-V304 HydrophobicContact CB-CG1 3.68Å; P177-V304 WeakPolarHBondContact CB-O 3.48Å; P177-V304 HydrophobicContact CG-CG1 3.71Å; Y297-V304 HydrophobicContact CD1-CG2 3.95Å; Y297-V304 HydrophobicContact CG-CG2 3.91Å
305	E	98.4	Very high	98.5	Very high	120 Å²	120	40.2 Å²	40.2	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-79.1	-36	-174.2	-60.8	83.4	172.6	0	0	113.1	G302	G302-E305 VanDerWaalsContact C-OE2 3.24Å; G302-E305 WeakPolarHBondContact CA-OE2 3.49Å; G302-E305 PolarHBondContact N-OE2 3.12Å
306	Y	98.5	Very high	98.5	Very high	91 Å²	91	39.7 Å²	39.7	36%	0.357	20%	0.201	S	C	.	.	H	α-helix	trans	-122.4	-25.3	-169.6	-50.6	-46.3	0	0	0	114.3	G302 I386 Q388 L402	G302-Y306 WeakPolarHBondContact O-CB 3.48Å; G302-Y306 PolarHBondContact O-N 3.02Å; Y306-I386 HydrophobicContact CD2-CG2 4.41Å; Y306-I386 WeakPolarHBondContact CD2-O 3.32Å; Y306-Q388 HydrophobicContact CD1-CB 3.87Å; Y306-Q388 HydrophobicContact CD1-CG 4.4Å; Y306-Q388 HydrophobicContact CD2-CB 4.23Å; Y306-Q388 HydrophobicContact CE1-CB 3.68Å; Y306-Q388 HydrophobicContact CE1-CG 4.35Å; Y306-Q388 HydrophobicContact CE2-CB 4.05Å; Y306-Q388 HydrophobicContact CG-CB 4.14Å; Y306-L402 HydrophobicContact CG-CD2 4.3Å; Y306-L402 WeakPolarHBondContact O-CD1 3.37Å
307	G	98.3	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.			trans	-86.3	163.2	175.8	0	0	0	0	0	112.6	A303 V421	A303-G307 WeakPolarHBondContact O-CA 3.3Å; A303-G307 PolarHBondContact O-N 2.9Å; G307-V421 WeakPolarHBondContact CA-O 3.31Å
308	I	98.9	Very high	98.5	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	173.4	175.7	68.1	167.5	0	0	0	110.5	I178 D312 L316 T420 V421 I422 F423	I178-I308 HydrophobicContact CD1-CG2 4.21Å; I308-D312 HydrophobicContact CB-CB 3.87Å; I308-D312 HydrophobicContact CD1-CB 4.48Å; I308-D312 HydrophobicContact CG2-CB 4.31Å; I308-L316 HydrophobicContact CD1-CD1 4.24Å; I308-L316 HydrophobicContact CD1-CD2 4.18Å; I308-T420 HydrophobicContact CD1-CG2 3.65Å; I308-T420 HydrophobicContact CG1-CG2 3.93Å; I308-V421 PolarHBondContact N-O 3.39Å; I308-I422 HydrophobicContact CD1-CG1 4.15Å; I308-I422 HydrophobicContact CG1-CB 4.5Å; I308-I422 HydrophobicContact CG1-CG1 3.95Å; I308-I422 CarbonylContact O-C 3.52Å; I308-I422 WeakPolarHBondContact O-CA 3.27Å; I308-F423 PolarHBondContact O-N 3.49Å
309	T	98.9	Very high	98.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-178.3	173	62	0	0	0	0	111.1	P295 Y297 D311 D312 L313 F423	P295-T309 HydrophobicContact CB-CG2 3.53Å; P295-T309 HydrophobicContact CG-CG2 4.14Å; Y297-T309 HydrophobicContact CD2-CG2 4.24Å; Y297-T309 HydrophobicContact CE1-CG2 4.01Å; Y297-T309 HydrophobicContact CE2-CG2 3.46Å; Y297-T309 VanDerWaalsContact CE2-CG2 3.46Å; Y297-T309 VanDerWaalsContact OH-CG2 3.3Å; Y297-T309 WeakPolarHBondContact OH-CG2 3.21Å; T309-D311 PolarHBondContact O-N 2.81Å; T309-D311 PolarHBondContact OG1-N 2.81Å; T309-D312 PolarHBondContact N-OD2 3.08Å; T309-D312 PolarHBondContact O-N 3.32Å; T309-D312 VanDerWaalsContact O-N 3.08Å; T309-D312 PolarHBondContact OG1-OD2 2.83Å; T309-L313 PolarHBondContact O-N 2.7Å; T309-L313 VanDerWaalsContact O-N 3.15Å; T309-F423 HydrophobicContact CG2-CB 4.35Å
310	S	98.7	Very high	98.5	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-28	168.3	61.6	0	0	0	0	113	D312 F314	S310-D312 PolarHBondContact O-N 3.08Å; S310-F314 WeakPolarHBondContact O-CD2 3.42Å; S310-F314 WeakPolarHBondContact O-CE2 3.39Å
311	D	98.8	Very high	98.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-19.9	179.4	-72	13.2	0	0	0	112.3	T176 W182 V191 R294 P295 T309 R427	T176-D311 HydrophobicContact CG2-CB 3.68Å; W182-D311 HydrophobicContact CH2-CB 3.86Å; W182-D311 WeakPolarHBondContact CH2-OD2 3.33Å; W182-D311 HydrophobicContact CZ3-CB 3.88Å; V191-D311 WeakPolarHBondContact CG1-O 3.17Å; R294-D311 IonicContact CZ-OD2 3.41Å; R294-D311 VanDerWaalsContact CZ-OD2 3.23Å; R294-D311 IonicContact NE-OD2 3.07Å; R294-D311 PolarHBondContact NE-OD2 3.04Å; R294-D311 IonicContact NH2-OD2 2.67Å; R294-D311 PolarHBondContact NH2-OD2 2.95Å; P295-D311 VanDerWaalsContact CD-CG 3.45Å; P295-D311 WeakPolarHBondContact CD-OD1 3.49Å; P295-D311 WeakPolarHBondContact CD-OD2 3.36Å; P295-D311 HydrophobicContact CG-CB 4.21Å; P295-D311 VanDerWaalsContact CG-CG 3.4Å; P295-D311 VanDerWaalsContact CG-OD1 3.27Å; P295-D311 WeakPolarHBondContact CG-OD1 3.32Å; T309-D311 PolarHBondContact O-N 2.81Å; T309-D311 PolarHBondContact OG1-N 2.81Å; D311-R427 IonicContact OD1-CZ 3.59Å; D311-R427 IonicContact OD1-NH1 2.81Å; D311-R427 PolarHBondContact OD1-NH1 2.7Å; D311-R427 IonicContact OD1-NH2 3.74Å
312	D	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-104.1	-36.9	-177.5	-53.6	-71.4	0	0	0	112.2	T176 I178 T180 I308 T309 S310 F314 S315 L316	T176-D312 WeakPolarHBondContact CB-OD1 3.25Å; T176-D312 VanDerWaalsContact CG2-OD1 3.29Å; T176-D312 WeakPolarHBondContact CG2-OD1 3.39Å; T176-D312 PolarHBondContact OG1-OD1 2.96Å; I178-D312 HydrophobicContact CD1-CB 3.96Å; I178-D312 WeakPolarHBondContact CD1-OD1 3.43Å; I178-D312 VanDerWaalsContact CG1-OD1 3.28Å; I178-D312 WeakPolarHBondContact CG1-OD1 3.48Å; T180-D312 WeakPolarHBondContact CB-OD1 3.44Å; T180-D312 PolarHBondContact OG1-OD1 3.18Å; I308-D312 HydrophobicContact CB-CB 3.87Å; I308-D312 HydrophobicContact CD1-CB 4.48Å; I308-D312 HydrophobicContact CG2-CB 4.31Å; T309-D312 PolarHBondContact N-OD2 3.08Å; T309-D312 PolarHBondContact O-N 3.32Å; T309-D312 VanDerWaalsContact O-N 3.08Å; T309-D312 PolarHBondContact OG1-OD2 2.83Å; S310-D312 PolarHBondContact O-N 3.08Å; D312-F314 VanDerWaalsContact C-N 3.29Å; D312-F314 PolarHBondContact O-N 2.79Å; D312-S315 PolarHBondContact O-N 2.81Å; D312-S315 PolarHBondContact O-OG 2.78Å; D312-L316 PolarHBondContact O-N 2.98Å
313	L	98.8	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-54.7	-41.8	-173	179.3	62.1	0	0	0	113.2	W228 T309 S315 L316 P320 C335 F338 L339 I422	W228-L313 HydrophobicContact CH2-CD1 4.03Å; W228-L313 WeakPolarHBondContact CZ2-O 3.39Å; T309-L313 PolarHBondContact O-N 2.7Å; T309-L313 VanDerWaalsContact O-N 3.15Å; L313-S315 PolarHBondContact O-N 2.94Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 2.71Å; L313-P320 HydrophobicContact CD1-CG 3.95Å; L313-C335 HydrophobicContact CD2-CB 3.96Å; L313-F338 HydrophobicContact CD2-CE2 4.38Å; L313-F338 HydrophobicContact CD2-CZ 3.68Å; L313-F338 HydrophobicContact CG-CZ 4.44Å; L313-L339 HydrophobicContact CD1-CD1 4.47Å; L313-I422 HydrophobicContact CD1-CD1 3.9Å; L313-I422 HydrophobicContact CD2-CD1 4.03Å; L313-I422 HydrophobicContact CG-CD1 4.49Å
314	F	98.7	Very high	98.6	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.018	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.7	-172	-60.9	-58.4	0	0	0	114.4	V191 P195 K196 M199 Q236 S310 D312 F338	V191-F314 HydrophobicContact CB-CD2 4.12Å; V191-F314 WeakPolarHBondContact O-CE2 3.25Å; P195-F314 HydrophobicContact CB-CB 3.74Å; P195-F314 HydrophobicContact CB-CD1 3.59Å; P195-F314 HydrophobicContact CB-CD2 4.31Å; P195-F314 HydrophobicContact CB-CE1 4.27Å; P195-F314 HydrophobicContact CB-CG 3.61Å; P195-F314 HydrophobicContact CG-CB 3.99Å; P195-F314 HydrophobicContact CG-CD1 4.02Å; P195-F314 HydrophobicContact CG-CD2 3.88Å; P195-F314 HydrophobicContact CG-CE1 4.5Å; P195-F314 HydrophobicContact CG-CE2 4.35Å; P195-F314 HydrophobicContact CG-CG 3.69Å; K196-F314 HydrophobicContact CB-CE1 4.18Å; K196-F314 HydrophobicContact CB-CZ 3.92Å; M199-F314 HydrophobicContact CE-CB 4.44Å; M199-F314 HydrophobicContact CE-CD1 3.92Å; M199-F314 HydrophobicContact SD-CD1 3.59Å; M199-F314 VanDerWaalsContact SD-CD1 3.59Å; M199-F314 HydrophobicContact SD-CE1 4Å; Q236-F314 PolarHBondContact NE2-O 3.18Å; S310-F314 WeakPolarHBondContact O-CD2 3.42Å; S310-F314 WeakPolarHBondContact O-CE2 3.39Å; D312-F314 VanDerWaalsContact C-N 3.29Å; D312-F314 PolarHBondContact O-N 2.79Å; F314-F338 HydrophobicContact CE1-CE1 4.17Å; F314-F338 HydrophobicContact CE1-CZ 4.08Å
315	S	98.5	Very high	98.6	Very high	40 Å²	40	23.7 Å²	23.7	28%	0.28	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	18.1	176.3	57.4	0	0	0	0	112.3	T180 D312 L313	T180-S315 VanDerWaalsContact CG2-OG 3.32Å; T180-S315 WeakPolarHBondContact CG2-OG 3.44Å; D312-S315 PolarHBondContact O-N 2.81Å; D312-S315 PolarHBondContact O-OG 2.78Å; L313-S315 PolarHBondContact O-N 2.94Å
316	L	98.2	Very high	98.6	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	9%	0.094	C	C	.	.			trans	-66.4	124.8	-177.2	-154.8	68.4	0	0	0	109.7	W228 I308 D312 L313 Y318 P320	W228-L316 HydrophobicContact CZ2-CB 3.96Å; W228-L316 PolarHBondContact NE1-O 3.39Å; I308-L316 HydrophobicContact CD1-CD1 4.24Å; I308-L316 HydrophobicContact CD1-CD2 4.18Å; D312-L316 PolarHBondContact O-N 2.98Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 2.71Å; L316-Y318 HydrophobicContact CD1-CE1 3.9Å; L316-Y318 HydrophobicContact CD1-CE2 4.23Å; L316-Y318 HydrophobicContact CD2-CD2 3.9Å; L316-Y318 HydrophobicContact CD2-CE2 3.5Å; L316-Y318 HydrophobicContact CG-CD1 4.28Å; L316-Y318 HydrophobicContact CG-CD2 4.14Å; L316-Y318 HydrophobicContact CG-CE1 3.98Å; L316-Y318 HydrophobicContact CG-CE2 3.86Å; L316-Y318 HydrophobicContact CG-CG 4.34Å; L316-Y318 PolarHBondContact O-N 3.29Å; L316-P320 HydrophobicContact CD2-CB 4.45Å; L316-P320 HydrophobicContact CD2-CG 3.86Å
317	P	98.1	Very high	98.6	Very high	72 Å²	72	14.5 Å²	14.5	47%	0.468	8%	0.083	S	C	.	.	S	Bend	trans	-77.1	-12.3	-174.3	29.3	-33.5	0	0	0	113.5
318	Y	98.4	Very high	98.7	Very high	22 Å²	22	15.3 Å²	15.3	9%	0.086	9%	0.089	C	C	.	.	S	Bend	trans	-120.7	154.3	178.6	57.2	-96.1	0	0	0	111	W228 L316 V392 N397 P399	W228-Y318 VanDerWaalsContact CD1-C 3.41Å; W228-Y318 PolarHBondContact NE1-O 3.27Å; L316-Y318 HydrophobicContact CD1-CE1 3.9Å; L316-Y318 HydrophobicContact CD1-CE2 4.23Å; L316-Y318 HydrophobicContact CD2-CD2 3.9Å; L316-Y318 HydrophobicContact CD2-CE2 3.5Å; L316-Y318 HydrophobicContact CG-CD1 4.28Å; L316-Y318 HydrophobicContact CG-CD2 4.14Å; L316-Y318 HydrophobicContact CG-CE1 3.98Å; L316-Y318 HydrophobicContact CG-CE2 3.86Å; L316-Y318 HydrophobicContact CG-CG 4.34Å; L316-Y318 PolarHBondContact O-N 3.29Å; Y318-V392 HydrophobicContact CD1-CG1 3.9Å; Y318-V392 HydrophobicContact CE1-CG1 3.42Å; Y318-V392 VanDerWaalsContact CE1-CG1 3.42Å; Y318-V392 HydrophobicContact CE1-CG2 4.42Å; Y318-N397 WeakPolarHBondContact CB-O 3.47Å; Y318-P399 HydrophobicContact CD2-CB 3.72Å; Y318-P399 HydrophobicContact CD2-CG 4.42Å; Y318-P399 HydrophobicContact CE2-CB 3.67Å
319	F	98.5	Very high	98.6	Very high	68 Å²	68	16.6 Å²	16.6	30%	0.298	10%	0.099	S	C	.	.			trans	-66	131.5	172.9	178.4	-116.5	0	0	0	110.2	W228 G321	W228-F319 HydrophobicContact CB-CB 3.84Å; W228-F319 HydrophobicContact CB-CD2 3.81Å; W228-F319 HydrophobicContact CB-CG 4.27Å; W228-F319 HydrophobicContact CD2-CD2 4.08Å; W228-F319 AromaticContact CE3-CD2 3.92Å; W228-F319 HydrophobicContact CE3-CD2 3.92Å; W228-F319 HydrophobicContact CE3-CE2 4.42Å; W228-F319 HydrophobicContact CG-CB 4.02Å; W228-F319 HydrophobicContact CG-CD2 4.06Å; F319-G321 PolarHBondContact O-N 2.9Å
320	P	98.5	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.			trans	-57.2	-25	-176.8	-29.6	36.3	0	0	0	115.6	W228 L313 L316 T323 L339 E419 T420	W228-P320 HydrophobicContact CH2-CG 4.12Å; W228-P320 HydrophobicContact CZ2-CG 4.27Å; W228-P320 HydrophobicContact CZ3-CG 4.34Å; L313-P320 HydrophobicContact CD1-CG 3.95Å; L316-P320 HydrophobicContact CD2-CB 4.45Å; L316-P320 HydrophobicContact CD2-CG 3.86Å; P320-T323 VanDerWaalsContact CB-OG1 3.31Å; P320-T323 WeakPolarHBondContact CB-OG1 3.36Å; P320-L339 HydrophobicContact CB-CD2 4.46Å; P320-L339 HydrophobicContact CG-CD2 3.88Å; P320-E419 WeakPolarHBondContact O-CB 3.43Å; P320-T420 WeakPolarHBondContact CA-OG1 3.16Å; P320-T420 HydrophobicContact CB-CG2 4.32Å; P320-T420 VanDerWaalsContact O-CB 3.3Å; P320-T420 WeakPolarHBondContact O-CB 3.43Å; P320-T420 PolarHBondContact O-OG1 3.14Å
321	G	98.3	Very high	98.6	Very high	7 Å²	7	21.3 Å²	21.3	7%	0.072	12%	0.118	C	C	.	.			trans	69.8	-149.9	-178.1	0	0	0	0	0	112.3	F319 T323 E419	F319-G321 PolarHBondContact O-N 2.9Å; G321-T323 PolarHBondContact O-N 3.2Å; G321-T323 VanDerWaalsContact O-N 3.11Å; G321-T323 PolarHBondContact O-OG1 2.85Å; G321-E419 WeakPolarHBondContact CA-OE2 3.15Å
322	K	98.8	Very high	98.6	Very high	49 Å²	49	21.2 Å²	21.2	21%	0.213	12%	0.118	C	C	.	.	S	Bend	trans	-60.1	112.8	171.9	-175.6	178.2	-178	-157.5	0	109.9	D345 E416 E417 F418 E419 T420	K322-D345 CarbonylContact C-O 3.41Å; K322-D345 WeakPolarHBondContact CA-O 3.18Å; K322-D345 HydrophobicContact CB-CB 4.21Å; K322-D345 WeakPolarHBondContact CD-OD2 3.37Å; K322-D345 WeakPolarHBondContact CE-OD2 3.32Å; K322-D345 HydrophobicContact CG-CB 4.02Å; K322-E416 WeakPolarHBondContact CE-OE1 3.42Å; K322-E416 IonicContact NZ-OE1 3.13Å; K322-E416 PolarHBondContact NZ-OE1 3.3Å; K322-E417 WeakPolarHBondContact CD-O 3.39Å; K322-E417 WeakPolarHBondContact CE-O 3.1Å; K322-E417 PolarHBondContact NZ-O 3.1Å; K322-F418 HydrophobicContact CD-CD1 4.34Å; K322-F418 HydrophobicContact CG-CD1 3.85Å; K322-F418 HydrophobicContact CG-CE1 4.36Å; K322-F418 CarbonylContact O-C 3.59Å; K322-E419 HydrophobicContact CB-CG 4.4Å; K322-E419 PolarHBondContact N-OE2 3.09Å; K322-E419 PolarHBondContact O-N 2.63Å; K322-T420 PolarHBondContact O-N 2.98Å
323	T	98.9	Very high	98.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.5	-165.7	-60.8	0	0	0	0	112.2	P320 G321 V325 L339 D345 V346 T347 T420 I422	P320-T323 VanDerWaalsContact CB-OG1 3.31Å; P320-T323 WeakPolarHBondContact CB-OG1 3.36Å; G321-T323 PolarHBondContact O-N 3.2Å; G321-T323 VanDerWaalsContact O-N 3.11Å; G321-T323 PolarHBondContact O-OG1 2.85Å; T323-V325 HydrophobicContact CG2-CG2 4.18Å; T323-L339 HydrophobicContact CG2-CD1 4.01Å; T323-D345 PolarHBondContact N-O 3.35Å; T323-V346 WeakPolarHBondContact O-CA 3.39Å; T323-T347 PolarHBondContact O-N 3.45Å; T323-T420 WeakPolarHBondContact CA-O 3.38Å; T323-I422 HydrophobicContact CG2-CD1 3.63Å; T323-I422 HydrophobicContact CG2-CG1 3.87Å
324	L	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.9	166	-177.3	68.2	0	0	0	110.1	I326 T347 M349 V404 F418 T420 V421 I422	L324-I326 HydrophobicContact CD2-CD1 3.88Å; L324-I326 HydrophobicContact CD2-CG1 3.8Å; L324-I326 HydrophobicContact CG-CG1 3.96Å; L324-T347 CarbonylContact C-O 3.58Å; L324-T347 WeakPolarHBondContact CA-O 3.39Å; L324-T347 HydrophobicContact CD1-CG2 3.94Å; L324-M349 HydrophobicContact CD1-CB 4.18Å; L324-M349 HydrophobicContact CD2-CE 4.22Å; L324-V404 HydrophobicContact CD2-CB 4.02Å; L324-V404 HydrophobicContact CD2-CG1 3.65Å; L324-V404 HydrophobicContact CD2-CG2 3.78Å; L324-F418 HydrophobicContact CB-CB 4.3Å; L324-F418 HydrophobicContact CB-CD1 3.64Å; L324-F418 HydrophobicContact CB-CD2 3.81Å; L324-F418 HydrophobicContact CB-CE1 3.86Å; L324-F418 HydrophobicContact CB-CE2 3.98Å; L324-F418 HydrophobicContact CB-CG 3.63Å; L324-F418 HydrophobicContact CB-CZ 4.03Å; L324-F418 HydrophobicContact CD1-CE1 4.23Å; L324-F418 HydrophobicContact CD1-CE2 4.15Å; L324-F418 HydrophobicContact CD1-CZ 3.86Å; L324-F418 HydrophobicContact CD2-CD2 4.18Å; L324-F418 HydrophobicContact CD2-CE2 4.01Å; L324-F418 HydrophobicContact CG-CD2 4.48Å; L324-F418 HydrophobicContact CG-CE2 4.28Å; L324-F418 HydrophobicContact CG-CZ 4.36Å; L324-T420 PolarHBondContact N-O 3.04Å; L324-V421 HydrophobicContact CB-CG2 4.34Å; L324-V421 CarbonylContact O-C 3.48Å; L324-V421 WeakPolarHBondContact O-CA 3.42Å; L324-I422 PolarHBondContact O-N 3.29Å
325	V	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117	169.7	-174.1	0	0	0	0	109.2	T323 A332 A336 V346 T347 V348 M349 I422 A424	T323-V325 HydrophobicContact CG2-CG2 4.18Å; V325-A332 HydrophobicContact CG1-CB 3.86Å; V325-A336 HydrophobicContact CG2-CB 4.14Å; V325-V346 HydrophobicContact CG2-CG1 4.42Å; V325-T347 PolarHBondContact N-O 3.07Å; V325-V348 HydrophobicContact CB-CG2 4.44Å; V325-V348 CarbonylContact O-C 3.57Å; V325-V348 WeakPolarHBondContact O-CA 3.33Å; V325-M349 PolarHBondContact O-N 2.67Å; V325-I422 WeakPolarHBondContact CA-O 3.47Å; V325-I422 HydrophobicContact CG2-CB 4.35Å; V325-I422 HydrophobicContact CG2-CD1 4.34Å; V325-A424 HydrophobicContact CG1-CB 4.29Å
326	I	98.9	Very high	98.6	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.036	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.4	178.8	-61.8	171	0	0	0	108.8	L324 M349 P383 I386 V421 I422 F423 A424 V425	L324-I326 HydrophobicContact CD2-CD1 3.88Å; L324-I326 HydrophobicContact CD2-CG1 3.8Å; L324-I326 HydrophobicContact CG-CG1 3.96Å; I326-M349 HydrophobicContact CG1-CB 4.26Å; I326-P383 HydrophobicContact CD1-CB 3.9Å; I326-P383 HydrophobicContact CD1-CG 4.07Å; I326-P383 HydrophobicContact CG2-CG 3.93Å; I326-I386 HydrophobicContact CD1-CD1 4.48Å; I326-V421 HydrophobicContact CD1-CG1 3.76Å; I326-V421 HydrophobicContact CG1-CG1 4.44Å; I326-I422 PolarHBondContact N-O 3.31Å; I326-F423 HydrophobicContact CB-CD1 4.01Å; I326-F423 HydrophobicContact CB-CE1 4.31Å; I326-F423 HydrophobicContact CD1-CD1 4.04Å; I326-F423 HydrophobicContact CD1-CE1 3.46Å; I326-F423 VanDerWaalsContact CD1-CE1 3.46Å; I326-F423 HydrophobicContact CD1-CZ 4.19Å; I326-F423 HydrophobicContact CG1-CE1 4.43Å; I326-F423 HydrophobicContact CG2-CD1 4.27Å; I326-F423 HydrophobicContact CG2-CE1 4.47Å; I326-A424 CarbonylContact O-C 3.52Å; I326-A424 PolarHBondContact O-N 3.18Å; I326-V425 HydrophobicContact CG2-CG1 3.96Å; I326-V425 WeakPolarHBondContact O-CG1 3.3Å
327	G	98.6	Very high	98.7	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	10%	0.104	C	C	.	.			trans	137.1	166.2	-176.9	0	0	0	0	0	112.3	A332 V348 M349	G327-A332 WeakPolarHBondContact O-CB 3.35Å; G327-V348 VanDerWaalsContact O-CG1 3.3Å; G327-V348 WeakPolarHBondContact O-CG1 3.48Å; G327-M349 PolarHBondContact N-O 2.82Å; G327-M349 VanDerWaalsContact N-O 3.09Å
328	A	98.6	Very high	98.7	Very high	17 Å²	17	15.9 Å²	15.9	14%	0.14	8%	0.082	C	C	.	.			trans	-139	23.8	-178.6	0	0	0	0	0	112	V350 I353 L354 L355	A328-V350 HydrophobicContact CB-CB 4.48Å; A328-V350 HydrophobicContact CB-CG1 3.88Å; A328-V350 HydrophobicContact CB-CG2 4.19Å; A328-I353 WeakPolarHBondContact CB-O 3.15Å; A328-L354 HydrophobicContact CB-CD2 3.88Å; A328-L355 PolarHBondContact O-N 3.15Å
329	S	98.5	Very high	98.7	Very high	33 Å²	33	14.9 Å²	14.9	23%	0.231	8%	0.078	C	C	.	.	S	Bend	trans	-74.2	169	171.5	62.4	0	0	0	0	110.6	V331 A332 L333 A424	S329-V331 PolarHBondContact O-N 3.21Å; S329-A332 WeakPolarHBondContact O-CB 3.49Å; S329-A332 PolarHBondContact O-N 3.23Å; S329-A332 VanDerWaalsContact O-N 3.08Å; S329-A332 PolarHBondContact OG-N 3.46Å; S329-L333 PolarHBondContact O-N 3.26Å; S329-L333 VanDerWaalsContact O-N 3.13Å; S329-A424 PolarHBondContact OG-O 2.71Å
330	Y	98.3	Very high	98.7	Very high	86 Å²	86	12.5 Å²	12.5	34%	0.337	7%	0.071	S	C	.	.	H	α-helix	trans	-56.8	-40.3	173	70.4	-89.3	0	0	0	111.2	A332 L333 E334	Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 2.87Å; Y330-L333 PolarHBondContact O-N 2.93Å; Y330-E334 VanDerWaalsContact O-CB 3.3Å; Y330-E334 WeakPolarHBondContact O-CB 3.33Å; Y330-E334 WeakPolarHBondContact O-CG 3.44Å; Y330-E334 PolarHBondContact O-N 3Å
331	V	98.6	Very high	98.7	Very high	23 Å²	23	13.2 Å²	13.2	14%	0.139	8%	0.076	C	C	.	.	H	α-helix	trans	-58.2	-43	175.8	-178.3	0	0	0	0	111.4	S329 C335 A424	S329-V331 PolarHBondContact O-N 3.21Å; V331-C335 WeakPolarHBondContact O-CB 3.23Å; V331-C335 PolarHBondContact O-N 2.97Å; V331-C335 PolarHBondContact O-SG 3.42Å; V331-A424 HydrophobicContact CG1-CB 4.41Å
332	A	98.8	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-49.5	179.7	0	0	0	0	0	111.6	V325 G327 S329 Y330 A336 A424	V325-A332 HydrophobicContact CG1-CB 3.86Å; G327-A332 WeakPolarHBondContact O-CB 3.35Å; S329-A332 WeakPolarHBondContact O-CB 3.49Å; S329-A332 PolarHBondContact O-N 3.23Å; S329-A332 VanDerWaalsContact O-N 3.08Å; S329-A332 PolarHBondContact OG-N 3.46Å; Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 2.87Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.3Å; A332-A336 PolarHBondContact O-N 3.26Å; A332-A424 HydrophobicContact CB-CB 3.61Å
333	L	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.2	-37.5	-175.3	-59.5	-173	0	0	0	112.7	S329 Y330 G337 V348 L354 L355 V366 M370 F377 T509	S329-L333 PolarHBondContact O-N 3.26Å; S329-L333 VanDerWaalsContact O-N 3.13Å; Y330-L333 PolarHBondContact O-N 2.93Å; L333-G337 PolarHBondContact O-N 3.37Å; L333-V348 HydrophobicContact CD2-CG1 4.21Å; L333-L354 HydrophobicContact CD1-CB 4.41Å; L333-L354 HydrophobicContact CD1-CD2 4.34Å; L333-L354 HydrophobicContact CD2-CD2 4.12Å; L333-L355 HydrophobicContact CD1-CD1 4.18Å; L333-L355 HydrophobicContact CD1-CD2 3.86Å; L333-L355 HydrophobicContact CD1-CG 3.74Å; L333-V366 HydrophobicContact CD1-CG1 4.27Å; L333-M370 HydrophobicContact CB-CE 4.17Å; L333-M370 HydrophobicContact CB-SD 4.02Å; L333-M370 HydrophobicContact CD2-CE 4.3Å; L333-M370 HydrophobicContact CD2-SD 4.39Å; L333-M370 VanDerWaalsContact O-CE 3.22Å; L333-M370 WeakPolarHBondContact O-CE 3.28Å; L333-F377 HydrophobicContact CD2-CE1 4.09Å; L333-F377 HydrophobicContact CD2-CZ 4.45Å; L333-T509 HydrophobicContact CB-CG2 3.71Å
334	E	98.9	Very high	98.7	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-46.9	173.9	-69.2	175.9	154.7	0	0	110.9	K196 Y330 G337 F338 V507 F508	K196-E334 HydrophobicContact CD-CB 4.19Å; K196-E334 HydrophobicContact CD-CG 4.31Å; K196-E334 WeakPolarHBondContact CD-OE2 3.35Å; K196-E334 HydrophobicContact CG-CB 4.26Å; K196-E334 WeakPolarHBondContact CG-OE2 3.2Å; K196-E334 IonicContact NZ-OE1 2.6Å; K196-E334 PolarHBondContact NZ-OE1 3.28Å; K196-E334 IonicContact NZ-OE2 2.71Å; K196-E334 PolarHBondContact NZ-OE2 2.79Å; Y330-E334 VanDerWaalsContact O-CB 3.3Å; Y330-E334 WeakPolarHBondContact O-CB 3.33Å; Y330-E334 WeakPolarHBondContact O-CG 3.44Å; Y330-E334 PolarHBondContact O-N 3Å; E334-G337 PolarHBondContact O-N 3.16Å; E334-F338 WeakPolarHBondContact O-CD1 3.49Å; E334-F338 PolarHBondContact O-N 3.18Å; E334-F338 VanDerWaalsContact O-N 3.12Å; E334-V507 HydrophobicContact CG-CG1 4.12Å; E334-F508 HydrophobicContact CG-CB 4.43Å; E334-F508 PolarHBondContact OE1-N 3.48Å
335	C	98.8	Very high	98.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-46.5	177.7	-64.2	0	0	0	0	112.2	L313 V331 G337 F338 L339	L313-C335 HydrophobicContact CD2-CB 3.96Å; V331-C335 WeakPolarHBondContact O-CB 3.23Å; V331-C335 PolarHBondContact O-N 2.97Å; V331-C335 PolarHBondContact O-SG 3.42Å; C335-G337 VanDerWaalsContact C-N 3.28Å; C335-G337 PolarHBondContact O-N 3.31Å; C335-F338 VanDerWaalsContact CA-CE1 3.42Å; C335-F338 HydrophobicContact CB-CE1 4.11Å; C335-F338 HydrophobicContact CB-CZ 4.29Å; C335-L339 VanDerWaalsContact O-CB 3.32Å; C335-L339 WeakPolarHBondContact O-CB 3.38Å; C335-L339 WeakPolarHBondContact O-CD1 3.35Å; C335-L339 WeakPolarHBondContact O-CG 3.29Å; C335-L339 PolarHBondContact O-N 3.02Å; C335-L339 VanDerWaalsContact O-N 3.08Å
336	A	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176.8	0	0	0	0	0	112	V325 A332 A340 V346 V348 M370 V375	V325-A336 HydrophobicContact CG2-CB 4.14Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.3Å; A332-A336 PolarHBondContact O-N 3.26Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 3.33Å; A336-V346 HydrophobicContact CB-CG1 3.76Å; A336-V348 HydrophobicContact CB-CG2 3.4Å; A336-V348 VanDerWaalsContact CB-CG2 3.4Å; A336-M370 HydrophobicContact CB-CE 4Å; A336-V375 HydrophobicContact CB-CG1 4.42Å
337	G	98.8	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-50.4	-177.7	0	0	0	0	0	113.8	L333 E334 C335 S341	L333-G337 PolarHBondContact O-N 3.37Å; E334-G337 PolarHBondContact O-N 3.16Å; C335-G337 VanDerWaalsContact C-N 3.28Å; C335-G337 PolarHBondContact O-N 3.31Å; G337-S341 PolarHBondContact O-N 2.86Å; G337-S341 VanDerWaalsContact O-N 3.07Å; G337-S341 PolarHBondContact O-OG 2.96Å
338	F	98.7	Very high	98.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-37.2	178.1	73.8	-114.3	0	0	0	111.4	M199 L313 F314 E334 C335 A340 S341 L342	M199-F338 HydrophobicContact CB-CD1 4.07Å; M199-F338 HydrophobicContact CB-CD2 3.84Å; M199-F338 HydrophobicContact CB-CE1 4.09Å; M199-F338 HydrophobicContact CB-CE2 3.91Å; M199-F338 HydrophobicContact CB-CG 3.97Å; M199-F338 HydrophobicContact CB-CZ 4.03Å; M199-F338 HydrophobicContact CG-CE2 4.37Å; M199-F338 HydrophobicContact SD-CD2 4.41Å; M199-F338 HydrophobicContact SD-CE1 4.46Å; M199-F338 HydrophobicContact SD-CE2 3.59Å; M199-F338 VanDerWaalsContact SD-CE2 3.59Å; M199-F338 HydrophobicContact SD-CZ 3.63Å; L313-F338 HydrophobicContact CD2-CE2 4.38Å; L313-F338 HydrophobicContact CD2-CZ 3.68Å; L313-F338 HydrophobicContact CG-CZ 4.44Å; F314-F338 HydrophobicContact CE1-CE1 4.17Å; F314-F338 HydrophobicContact CE1-CZ 4.08Å; E334-F338 WeakPolarHBondContact O-CD1 3.49Å; E334-F338 PolarHBondContact O-N 3.18Å; E334-F338 VanDerWaalsContact O-N 3.12Å; C335-F338 VanDerWaalsContact CA-CE1 3.42Å; C335-F338 HydrophobicContact CB-CE1 4.11Å; C335-F338 HydrophobicContact CB-CZ 4.29Å; F338-A340 VanDerWaalsContact C-N 3.32Å; F338-A340 PolarHBondContact O-N 2.86Å; F338-S341 PolarHBondContact O-N 2.7Å; F338-L342 HydrophobicContact CD2-CD1 4.07Å; F338-L342 WeakPolarHBondContact O-CB 3.48Å; F338-L342 WeakPolarHBondContact O-CG 3.36Å; F338-L342 PolarHBondContact O-N 3.2Å
339	L	98.9	Very high	98.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-40.8	178	-74	173.3	0	0	0	111.9	W228 L313 P320 T323 C335 L342 G344 V346 I422	W228-L339 HydrophobicContact CH2-CD2 4.4Å; W228-L339 HydrophobicContact CZ3-CD2 3.93Å; L313-L339 HydrophobicContact CD1-CD1 4.47Å; P320-L339 HydrophobicContact CB-CD2 4.46Å; P320-L339 HydrophobicContact CG-CD2 3.88Å; T323-L339 HydrophobicContact CG2-CD1 4.01Å; C335-L339 VanDerWaalsContact O-CB 3.32Å; C335-L339 WeakPolarHBondContact O-CB 3.38Å; C335-L339 WeakPolarHBondContact O-CD1 3.35Å; C335-L339 WeakPolarHBondContact O-CG 3.29Å; C335-L339 PolarHBondContact O-N 3.02Å; C335-L339 VanDerWaalsContact O-N 3.08Å; L339-L342 PolarHBondContact O-N 2.93Å; L339-G344 WeakPolarHBondContact O-CA 3.45Å; L339-G344 PolarHBondContact O-N 3.16Å; L339-V346 HydrophobicContact CB-CG2 3.68Å; L339-I422 HydrophobicContact CD1-CD1 3.77Å
340	A	98.8	Very high	98.7	Very high	17 Å²	17	15.4 Å²	15.4	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-45.5	174.3	0	0	0	0	0	111.6	A336 F338 L342 G343 V346 V375	A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 3.33Å; F338-A340 VanDerWaalsContact C-N 3.32Å; F338-A340 PolarHBondContact O-N 2.86Å; A340-L342 PolarHBondContact O-N 3.14Å; A340-G343 PolarHBondContact O-N 2.84Å; A340-V346 HydrophobicContact CB-CB 4.28Å; A340-V346 HydrophobicContact CB-CG2 4.05Å; A340-V375 HydrophobicContact CB-CG2 3.63Å
341	S	98.6	Very high	98.7	Very high	15 Å²	15	20 Å²	20	11%	0.105	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-21.5	178.8	-56.7	0	0	0	0	113.4	S206 H207 G337 F338	S206-S341 VanDerWaalsContact CB-O 3.24Å; S206-S341 WeakPolarHBondContact CB-O 3.22Å; S206-S341 PolarHBondContact OG-O 3.08Å; H207-S341 PolarHBondContact NE2-OG 2.88Å; H207-S341 VanDerWaalsContact NE2-OG 3.1Å; G337-S341 PolarHBondContact O-N 2.86Å; G337-S341 VanDerWaalsContact O-N 3.07Å; G337-S341 PolarHBondContact O-OG 2.96Å; F338-S341 PolarHBondContact O-N 2.7Å
342	L	98.7	Very high	98.6	Very high	13 Å²	13	21 Å²	21	7%	0.068	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.3	173.1	-66.2	176.8	0	0	0	113.2	A202 W228 M231 F338 L339 A340	A202-L342 HydrophobicContact CB-CD2 3.88Å; W228-L342 HydrophobicContact CE3-CD1 4.5Å; W228-L342 HydrophobicContact CZ3-CD1 4.38Å; M231-L342 HydrophobicContact CE-CD1 3.65Å; M231-L342 HydrophobicContact SD-CD1 3.95Å; M231-L342 HydrophobicContact SD-CD2 4.47Å; F338-L342 HydrophobicContact CD2-CD1 4.07Å; F338-L342 WeakPolarHBondContact O-CB 3.48Å; F338-L342 WeakPolarHBondContact O-CG 3.36Å; F338-L342 PolarHBondContact O-N 3.2Å; L339-L342 PolarHBondContact O-N 2.93Å; A340-L342 PolarHBondContact O-N 3.14Å
343	G	97.8	Very high	98.6	Very high	67 Å²	67	24.1 Å²	24.1	69%	0.691	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.2	12.8	179.1	0	0	0	0	0	114.9	A340	A340-G343 PolarHBondContact O-N 2.84Å
344	G	97.9	Very high	98.6	Very high	12 Å²	12	25.3 Å²	25.3	12%	0.124	15%	0.147	C	C	.	.			trans	-79	143.5	178.7	0	0	0	0	0	113.7	L339 V346	L339-G344 WeakPolarHBondContact O-CA 3.45Å; L339-G344 PolarHBondContact O-N 3.16Å; G344-V346 PolarHBondContact O-N 2.83Å
345	D	98.7	Very high	98.6	Very high	69 Å²	69	25.2 Å²	25.2	37%	0.369	15%	0.146	S	C	.	.			trans	-78.3	99.2	166.7	178.3	-2.2	0	0	0	109	K322 T323 K376	K322-D345 CarbonylContact C-O 3.41Å; K322-D345 WeakPolarHBondContact CA-O 3.18Å; K322-D345 HydrophobicContact CB-CB 4.21Å; K322-D345 WeakPolarHBondContact CD-OD2 3.37Å; K322-D345 WeakPolarHBondContact CE-OD2 3.32Å; K322-D345 HydrophobicContact CG-CB 4.02Å; T323-D345 PolarHBondContact N-O 3.35Å; D345-K376 WeakPolarHBondContact OD1-CE 3.33Å; D345-K376 IonicContact OD1-NZ 2.8Å; D345-K376 PolarHBondContact OD1-NZ 2.91Å
346	V	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.9	-173	-176	0	0	0	0	112.1	T323 V325 A336 L339 A340 G344 V375 K376	T323-V346 WeakPolarHBondContact O-CA 3.39Å; V325-V346 HydrophobicContact CG2-CG1 4.42Å; A336-V346 HydrophobicContact CB-CG1 3.76Å; L339-V346 HydrophobicContact CB-CG2 3.68Å; A340-V346 HydrophobicContact CB-CB 4.28Å; A340-V346 HydrophobicContact CB-CG2 4.05Å; G344-V346 PolarHBondContact O-N 2.83Å; V346-V375 HydrophobicContact CG1-CG1 4.38Å; V346-K376 PolarHBondContact O-N 2.76Å; V346-K376 PolarHBondContact O-NZ 2.84Å; V346-K376 VanDerWaalsContact O-NZ 3.08Å
347	T	98.9	Very high	98.4	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.3	168.3	-55.5	0	0	0	0	110.1	T323 L324 V325 K376 A378	T323-T347 PolarHBondContact O-N 3.45Å; L324-T347 CarbonylContact C-O 3.58Å; L324-T347 WeakPolarHBondContact CA-O 3.39Å; L324-T347 HydrophobicContact CD1-CG2 3.94Å; V325-T347 PolarHBondContact N-O 3.07Å; T347-K376 CarbonylContact C-O 3.4Å; T347-K376 VanDerWaalsContact CA-O 3.3Å; T347-K376 WeakPolarHBondContact CA-O 3.41Å; T347-K376 HydrophobicContact CG2-CB 4.17Å; T347-K376 VanDerWaalsContact OG1-CE 3.28Å; T347-K376 WeakPolarHBondContact OG1-CE 3.35Å; T347-A378 HydrophobicContact CG2-CB 4.43Å
348	V	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.4	174.7	-176.7	0	0	0	0	109.6	V325 G327 L333 A336 V350 V375 K376 F377 A378	V325-V348 HydrophobicContact CB-CG2 4.44Å; V325-V348 CarbonylContact O-C 3.57Å; V325-V348 WeakPolarHBondContact O-CA 3.33Å; G327-V348 VanDerWaalsContact O-CG1 3.3Å; G327-V348 WeakPolarHBondContact O-CG1 3.48Å; L333-V348 HydrophobicContact CD2-CG1 4.21Å; A336-V348 HydrophobicContact CB-CG2 3.4Å; A336-V348 VanDerWaalsContact CB-CG2 3.4Å; V348-V350 HydrophobicContact CG1-CG2 3.9Å; V348-V375 HydrophobicContact CG2-CG1 3.66Å; V348-K376 PolarHBondContact N-O 3.41Å; V348-F377 HydrophobicContact CB-CD1 3.78Å; V348-F377 HydrophobicContact CB-CE1 3.79Å; V348-F377 HydrophobicContact CG1-CD1 4.15Å; V348-F377 HydrophobicContact CG1-CE1 4Å; V348-F377 HydrophobicContact CG2-CE1 4.17Å; V348-F377 CarbonylContact O-C 3.25Å; V348-F377 WeakPolarHBondContact O-CA 3.48Å; V348-A378 PolarHBondContact O-N 3.36Å
349	M	98.9	Very high	98.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.3	175.8	-172.1	177.8	-73.6	0	0	110.6	L324 V325 I326 G327 A378 C381 P383 V404 F414	L324-M349 HydrophobicContact CD1-CB 4.18Å; L324-M349 HydrophobicContact CD2-CE 4.22Å; V325-M349 PolarHBondContact O-N 2.67Å; I326-M349 HydrophobicContact CG1-CB 4.26Å; G327-M349 PolarHBondContact N-O 2.82Å; G327-M349 VanDerWaalsContact N-O 3.09Å; M349-A378 HydrophobicContact CB-CB 4.5Å; M349-A378 HydrophobicContact CG-CB 4.42Å; M349-C381 HydrophobicContact CG-CB 3.9Å; M349-C381 HydrophobicContact SD-CB 4.44Å; M349-P383 HydrophobicContact SD-CB 4.2Å; M349-V404 HydrophobicContact CE-CG1 4.44Å; M349-F414 HydrophobicContact CE-CD1 3.57Å; M349-F414 HydrophobicContact CE-CD2 4.23Å; M349-F414 HydrophobicContact CE-CE1 3.56Å; M349-F414 HydrophobicContact CE-CE2 4.22Å; M349-F414 HydrophobicContact CE-CG 3.93Å; M349-F414 HydrophobicContact CE-CZ 3.9Å
350	V	98.8	Very high	98.4	Very high	5 Å²	5	41 Å²	41	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.3	-171.6	-179.1	0	0	0	0	110.1	A328 V348 S352 L354 F377 A378 L380 C381	A328-V350 HydrophobicContact CB-CB 4.48Å; A328-V350 HydrophobicContact CB-CG1 3.88Å; A328-V350 HydrophobicContact CB-CG2 4.19Å; V348-V350 HydrophobicContact CG1-CG2 3.9Å; V350-S352 VanDerWaalsContact C-N 3.32Å; V350-S352 PolarHBondContact O-N 3.42Å; V350-L354 HydrophobicContact CG1-CD2 4.07Å; V350-L354 HydrophobicContact CG2-CD2 3.66Å; V350-F377 HydrophobicContact CG2-CD1 3.9Å; V350-F377 HydrophobicContact CG2-CE1 4.42Å; V350-A378 PolarHBondContact N-O 3.29Å; V350-L380 WeakPolarHBondContact O-CA 3.41Å; V350-L380 PolarHBondContact O-N 3.27Å; V350-C381 CarbonylContact C-O 3.51Å; V350-C381 PolarHBondContact O-N 3.47Å; V350-C381 VanDerWaalsContact O-N 3.08Å
351	R	98	Very high	98.4	Very high	181 Å²	181	42.8 Å²	42.8	68%	0.683	24%	0.237	S	C	*	.	S	Bend	trans	-61.7	-37.1	177.8	179.3	173.6	69.7	-167.5	-1.4	113.7	C381 V382	R351-C381 WeakPolarHBondContact CA-O 3.45Å; R351-C381 PolarHBondContact N-O 3.09Å; R351-V382 HydrophobicContact CB-CG1 3.98Å; R351-V382 HydrophobicContact CG-CG1 3.59Å
352	S	97.7	Very high	98.4	Very high	45 Å²	45	42 Å²	42	32%	0.315	23%	0.232	S	C	.	.	S	Bend	trans	-148	-85.8	-172.9	50.3	0	0	0	0	112.2	V350 R356	V350-S352 VanDerWaalsContact C-N 3.32Å; V350-S352 PolarHBondContact O-N 3.42Å; S352-R356 PolarHBondContact OG-NH2 3.25Å
353	I	98.4	Very high	98.4	Very high	66 Å²	66	41.4 Å²	41.4	34%	0.338	23%	0.229	S	C	.	.			trans	-123.9	158.6	-176.7	66.6	-174.7	0	0	0	110.7	A328 R356	A328-I353 WeakPolarHBondContact CB-O 3.15Å; I353-R356 HydrophobicContact CD1-CB 4.28Å; I353-R356 HydrophobicContact CD1-CG 4.38Å; I353-R356 HydrophobicContact CG1-CB 4.3Å
354	L	98.7	Very high	98.5	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	22%	0.224	C	C	.	.	S	Bend	trans	-79	144	172.9	-60.5	-177.1	0	0	0	111.2	A328 L333 V350 R356 Q360 A363 F377	A328-L354 HydrophobicContact CB-CD2 3.88Å; L333-L354 HydrophobicContact CD1-CB 4.41Å; L333-L354 HydrophobicContact CD1-CD2 4.34Å; L333-L354 HydrophobicContact CD2-CD2 4.12Å; V350-L354 HydrophobicContact CG1-CD2 4.07Å; V350-L354 HydrophobicContact CG2-CD2 3.66Å; L354-R356 VanDerWaalsContact C-N 3.35Å; L354-R356 PolarHBondContact O-N 3.1Å; L354-Q360 PolarHBondContact O-NE2 2.97Å; L354-Q360 VanDerWaalsContact O-NE2 3.16Å; L354-Q360 PolarHBondContact O-OE1 3.4Å; L354-A363 HydrophobicContact CB-CB 4.26Å; L354-F377 HydrophobicContact CD1-CE1 4.4Å; L354-F377 HydrophobicContact CD2-CE1 4.08Å
355	L	98.6	Very high	98.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	47.4	51.6	170.4	-59.1	177.5	0	0	0	113.6	A328 L333 G357 F358 Q360 A363 V366 Y513	A328-L355 PolarHBondContact O-N 3.15Å; L333-L355 HydrophobicContact CD1-CD1 4.18Å; L333-L355 HydrophobicContact CD1-CD2 3.86Å; L333-L355 HydrophobicContact CD1-CG 3.74Å; L355-G357 PolarHBondContact O-N 3.23Å; L355-F358 HydrophobicContact CB-CB 4.02Å; L355-F358 HydrophobicContact CB-CD2 3.77Å; L355-F358 HydrophobicContact CB-CG 4.1Å; L355-F358 WeakPolarHBondContact O-CB 3.47Å; L355-F358 WeakPolarHBondContact O-CD2 3.35Å; L355-F358 PolarHBondContact O-N 3.36Å; L355-Q360 PolarHBondContact O-NE2 3.42Å; L355-A363 HydrophobicContact CB-CB 3.92Å; L355-A363 HydrophobicContact CD1-CB 4.2Å; L355-A363 HydrophobicContact CG-CB 4.41Å; L355-V366 HydrophobicContact CD1-CG1 4.47Å; L355-Y513 HydrophobicContact CD1-CD1 4.44Å
356	R	97.7	Very high	98.5	Very high	160 Å²	160	43 Å²	43	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	126.5	177.5	179.9	178.2	-60.8	-77.3	-2	111.1	S352 I353 L354	S352-R356 PolarHBondContact OG-NH2 3.25Å; I353-R356 HydrophobicContact CD1-CB 4.28Å; I353-R356 HydrophobicContact CD1-CG 4.38Å; I353-R356 HydrophobicContact CG1-CB 4.3Å; L354-R356 VanDerWaalsContact C-N 3.35Å; L354-R356 PolarHBondContact O-N 3.1Å
357	G	96	Very high	98.5	Very high	72 Å²	72	43.1 Å²	43.1	74%	0.742	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.5	-7.1	-177.4	0	0	0	0	0	114.4	L355	L355-G357 PolarHBondContact O-N 3.23Å
358	F	98.7	Very high	98.5	Very high	47 Å²	47	46.1 Å²	46.1	21%	0.206	23%	0.23	C	C	.	.	S	Bend	trans	-97.5	161	166	-65.7	-101.5	0	0	0	110.2	L355 Q360 V507 Y513	L355-F358 HydrophobicContact CB-CB 4.02Å; L355-F358 HydrophobicContact CB-CD2 3.77Å; L355-F358 HydrophobicContact CB-CG 4.1Å; L355-F358 WeakPolarHBondContact O-CB 3.47Å; L355-F358 WeakPolarHBondContact O-CD2 3.35Å; L355-F358 PolarHBondContact O-N 3.36Å; F358-Q360 PolarHBondContact O-N 3.25Å; F358-Q360 VanDerWaalsContact O-N 3.14Å; F358-Q360 PolarHBondContact O-NE2 3.15Å; F358-V507 HydrophobicContact CD1-CG2 4.46Å; F358-V507 HydrophobicContact CE1-CG2 3.84Å; F358-V507 HydrophobicContact CZ-CG2 4.05Å; F358-Y513 HydrophobicContact CB-CE1 4.24Å; F358-Y513 AromaticContact CD1-CE1 3.9Å; F358-Y513 HydrophobicContact CD1-CE1 3.9Å; F358-Y513 HydrophobicContact CG-CE1 4.46Å
359	D	98.8	Very high	98.5	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	23%	0.231	C	C	.	.			trans	-50.3	116	171.6	-172	-72.3	0	0	0	111.7	Q361 M362 A363 E520 E521 K557 H572	D359-Q361 VanDerWaalsContact C-N 3.33Å; D359-Q361 PolarHBondContact O-N 3.33Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.49Å; D359-Q361 PolarHBondContact OD1-N 2.95Å; D359-M362 HydrophobicContact CB-CB 4.26Å; D359-M362 HydrophobicContact CB-CG 3.95Å; D359-M362 WeakPolarHBondContact O-CB 3.47Å; D359-M362 PolarHBondContact O-N 2.74Å; D359-M362 VanDerWaalsContact O-N 3.14Å; D359-M362 WeakPolarHBondContact OD1-CG 3.5Å; D359-M362 PolarHBondContact OD1-N 3.05Å; D359-A363 PolarHBondContact O-N 3.29Å; D359-E520 WeakPolarHBondContact OD2-CB 3.22Å; D359-E520 PolarHBondContact OD2-N 3.31Å; D359-E521 VanDerWaalsContact CA-OE1 3.3Å; D359-E521 WeakPolarHBondContact CA-OE1 3.38Å; D359-K557 IonicContact OD1-NZ 2.95Å; D359-K557 PolarHBondContact OD1-NZ 2.6Å; D359-K557 WeakPolarHBondContact OD2-CE 3.42Å; D359-K557 IonicContact OD2-NZ 3.34Å; D359-K557 PolarHBondContact OD2-NZ 3.47Å; D359-H572 IonicContact OD2-CE1 3.95Å; D359-H572 IonicContact OD2-NE2 2.71Å
360	Q	98.8	Very high	98.5	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	23%	0.231	S	C	.	.	H	α-helix	trans	-70.8	-26.6	-169.8	-71.7	-59.8	-73.8	0	0	113.6	L354 L355 F358 M362 A363 E364 E521	L354-Q360 PolarHBondContact O-NE2 2.97Å; L354-Q360 VanDerWaalsContact O-NE2 3.16Å; L354-Q360 PolarHBondContact O-OE1 3.4Å; L355-Q360 PolarHBondContact O-NE2 3.42Å; F358-Q360 PolarHBondContact O-N 3.25Å; F358-Q360 VanDerWaalsContact O-N 3.14Å; F358-Q360 PolarHBondContact O-NE2 3.15Å; Q360-M362 VanDerWaalsContact C-N 3.31Å; Q360-A363 PolarHBondContact O-N 3.43Å; Q360-E364 WeakPolarHBondContact O-CB 3.33Å; Q360-E364 PolarHBondContact O-N 2.96Å; Q360-E521 WeakPolarHBondContact CG-OE1 3.39Å; Q360-E521 PolarHBondContact N-OE1 3.31Å
361	Q	98.8	Very high	98.5	Very high	53 Å²	53	50 Å²	50	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-40.4	172.1	-173.2	-163.5	9.3	0	0	110.5	D359 K365 Y555	D359-Q361 VanDerWaalsContact C-N 3.33Å; D359-Q361 PolarHBondContact O-N 3.33Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.49Å; D359-Q361 PolarHBondContact OD1-N 2.95Å; Q361-K365 WeakPolarHBondContact O-CG 3.14Å; Q361-K365 PolarHBondContact O-N 3.21Å; Q361-Y555 PolarHBondContact NE2-OH 3.04Å
362	M	98.9	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.1	-39.5	177.4	-57.3	-55	-61.3	0	0	111.2	D359 Q360 E364 K365 V366 Y513 Y555 H572 L574	D359-M362 HydrophobicContact CB-CB 4.26Å; D359-M362 HydrophobicContact CB-CG 3.95Å; D359-M362 WeakPolarHBondContact O-CB 3.47Å; D359-M362 PolarHBondContact O-N 2.74Å; D359-M362 VanDerWaalsContact O-N 3.14Å; D359-M362 WeakPolarHBondContact OD1-CG 3.5Å; D359-M362 PolarHBondContact OD1-N 3.05Å; Q360-M362 VanDerWaalsContact C-N 3.31Å; M362-E364 VanDerWaalsContact C-N 3.35Å; M362-E364 PolarHBondContact O-N 2.91Å; M362-K365 PolarHBondContact O-N 3.16Å; M362-V366 VanDerWaalsContact O-CG2 3.31Å; M362-V366 WeakPolarHBondContact O-CG2 3.45Å; M362-V366 PolarHBondContact O-N 2.86Å; M362-Y513 HydrophobicContact CB-CD1 4.27Å; M362-Y513 HydrophobicContact CB-CD2 4.14Å; M362-Y513 HydrophobicContact CB-CE1 3.72Å; M362-Y513 HydrophobicContact CB-CE2 3.63Å; M362-Y513 HydrophobicContact CB-CG 4.46Å; M362-Y513 HydrophobicContact CE-CD2 3.89Å; M362-Y513 HydrophobicContact CE-CE2 3.87Å; M362-Y513 HydrophobicContact CG-CD2 4.48Å; M362-Y513 HydrophobicContact CG-CE2 3.7Å; M362-Y555 HydrophobicContact CE-CD1 4.01Å; M362-Y555 HydrophobicContact SD-CD1 3.63Å; M362-Y555 HydrophobicContact SD-CE1 3.77Å; M362-H572 HydrophobicContact CE-CB 4.18Å; M362-H572 HydrophobicContact CG-CB 3.97Å; M362-H572 HydrophobicContact SD-CB 4.04Å; M362-L574 HydrophobicContact CE-CB 3.65Å
363	A	98.8	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-39.9	177.1	0	0	0	0	0	112.9	L354 L355 D359 Q360 V366 G367	L354-A363 HydrophobicContact CB-CB 4.26Å; L355-A363 HydrophobicContact CB-CB 3.92Å; L355-A363 HydrophobicContact CD1-CB 4.2Å; L355-A363 HydrophobicContact CG-CB 4.41Å; D359-A363 PolarHBondContact O-N 3.29Å; Q360-A363 PolarHBondContact O-N 3.43Å; A363-V366 PolarHBondContact O-N 3.33Å; A363-G367 PolarHBondContact O-N 2.88Å
364	E	98.8	Very high	98.5	Very high	125 Å²	125	47.4 Å²	47.4	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-50.9	173.9	-175	172.3	-147.8	0	0	110.9	Q360 M362 V366 G367 D368	Q360-E364 WeakPolarHBondContact O-CB 3.33Å; Q360-E364 PolarHBondContact O-N 2.96Å; M362-E364 VanDerWaalsContact C-N 3.35Å; M362-E364 PolarHBondContact O-N 2.91Å; E364-V366 VanDerWaalsContact C-N 3.28Å; E364-V366 PolarHBondContact O-N 3.09Å; E364-G367 CarbonylContact O-C 3.57Å; E364-G367 WeakPolarHBondContact O-CA 3.4Å; E364-G367 PolarHBondContact O-N 2.82Å; E364-D368 VanDerWaalsContact O-CG 3.28Å; E364-D368 PolarHBondContact O-N 3.38Å
365	K	98.8	Very high	98.5	Very high	53 Å²	53	46.3 Å²	46.3	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-36.5	177.2	-70.7	179.2	168.6	-65.8	0	113.6	Q361 M362 Y369 Y555 L574	Q361-K365 WeakPolarHBondContact O-CG 3.14Å; Q361-K365 PolarHBondContact O-N 3.21Å; M362-K365 PolarHBondContact O-N 3.16Å; K365-Y369 PolarHBondContact O-N 2.96Å; K365-Y369 VanDerWaalsContact O-N 3.1Å; K365-Y555 HydrophobicContact CD-CD1 3.79Å; K365-Y555 HydrophobicContact CD-CE1 4.49Å; K365-Y555 HydrophobicContact CD-CG 4.01Å; K365-L574 HydrophobicContact CB-CD2 3.51Å; K365-L574 HydrophobicContact CD-CD2 4.41Å
366	V	98.9	Very high	98.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-47.8	172.8	166.6	0	0	0	0	110.6	L333 L355 M362 A363 E364 M370 T509 Y513 L574	L333-V366 HydrophobicContact CD1-CG1 4.27Å; L355-V366 HydrophobicContact CD1-CG1 4.47Å; M362-V366 VanDerWaalsContact O-CG2 3.31Å; M362-V366 WeakPolarHBondContact O-CG2 3.45Å; M362-V366 PolarHBondContact O-N 2.86Å; A363-V366 PolarHBondContact O-N 3.33Å; E364-V366 VanDerWaalsContact C-N 3.28Å; E364-V366 PolarHBondContact O-N 3.09Å; V366-M370 HydrophobicContact CG1-SD 4.22Å; V366-M370 WeakPolarHBondContact O-CG 3.47Å; V366-M370 PolarHBondContact O-N 3.15Å; V366-T509 HydrophobicContact CG1-CG2 3.72Å; V366-Y513 HydrophobicContact CG2-CD1 4.3Å; V366-Y513 HydrophobicContact CG2-CG 4.25Å; V366-L574 HydrophobicContact CG2-CD1 3.74Å
367	G	98.8	Very high	98.6	Very high	3 Å²	3	44 Å²	44	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-46.7	177.5	0	0	0	0	0	112.8	A363 E364 Y369 M370 E371	A363-G367 PolarHBondContact O-N 2.88Å; E364-G367 CarbonylContact O-C 3.57Å; E364-G367 WeakPolarHBondContact O-CA 3.4Å; E364-G367 PolarHBondContact O-N 2.82Å; G367-Y369 VanDerWaalsContact C-N 3.34Å; G367-Y369 PolarHBondContact O-N 2.78Å; G367-M370 WeakPolarHBondContact O-CB 3.4Å; G367-M370 PolarHBondContact O-N 2.9Å; G367-E371 WeakPolarHBondContact O-CB 3.4Å; G367-E371 PolarHBondContact O-N 3.47Å
368	D	98.8	Very high	98.7	Very high	69 Å²	69	40.7 Å²	40.7	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-42.7	179.9	-67.3	-12.6	0	0	0	111.5	E364 M370 E371 N372	E364-D368 VanDerWaalsContact O-CG 3.28Å; E364-D368 PolarHBondContact O-N 3.38Å; D368-M370 VanDerWaalsContact C-N 3.35Å; D368-M370 PolarHBondContact O-N 3.07Å; D368-E371 PolarHBondContact O-N 2.9Å; D368-N372 WeakPolarHBondContact O-CB 3.22Å; D368-N372 VanDerWaalsContact O-CG 3.23Å; D368-N372 PolarHBondContact O-N 2.94Å; D368-N372 PolarHBondContact O-ND2 2.83Å
369	Y	98.8	Very high	98.7	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-45.2	175.6	-174.9	-95.7	0	0	0	111.7	K365 G367 N372 H373 P510 L511 W544 V553	K365-Y369 PolarHBondContact O-N 2.96Å; K365-Y369 VanDerWaalsContact O-N 3.1Å; G367-Y369 VanDerWaalsContact C-N 3.34Å; G367-Y369 PolarHBondContact O-N 2.78Å; Y369-N372 PolarHBondContact O-N 3.08Å; Y369-H373 AromaticContact CD2-CE1 3.7Å; Y369-H373 AromaticContact CD2-ND1 3.88Å; Y369-H373 AromaticContact CE1-CE1 3.98Å; Y369-H373 AromaticContact CE1-ND1 3.8Å; Y369-H373 AromaticContact CE2-CE1 3.16Å; Y369-H373 WeakPolarHBondContact CE2-CE1 3.29Å; Y369-H373 AromaticContact CE2-ND1 3.67Å; Y369-H373 AromaticContact CE2-NE2 3.86Å; Y369-H373 AromaticContact CZ-CE1 3.32Å; Y369-H373 AromaticContact CZ-ND1 3.63Å; Y369-H373 AromaticContact CZ-NE2 3.67Å; Y369-H373 PolarHBondContact O-N 3.35Å; Y369-H373 VanDerWaalsContact O-N 3.15Å; Y369-H373 PolarHBondContact O-ND1 3.37Å; Y369-H373 PolarHBondContact OH-NE2 2.96Å; Y369-P510 HydrophobicContact CD1-CB 4.27Å; Y369-P510 HydrophobicContact CE1-CB 3.91Å; Y369-L511 HydrophobicContact CD1-CB 3.5Å; Y369-L511 HydrophobicContact CD2-CB 4.22Å; Y369-L511 HydrophobicContact CD2-CD2 3.87Å; Y369-L511 HydrophobicContact CE1-CB 3.6Å; Y369-L511 HydrophobicContact CE2-CB 4.3Å; Y369-L511 HydrophobicContact CE2-CD2 4.05Å; Y369-L511 HydrophobicContact CG-CB 3.83Å; Y369-L511 HydrophobicContact CG-CD2 4.15Å; Y369-W544 HydrophobicContact CE2-CH2 4.37Å; Y369-V553 HydrophobicContact CD2-CG1 3.59Å; Y369-V553 HydrophobicContact CE2-CG1 4.04Å
370	M	98.9	Very high	98.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-41	178.1	-68.6	175.7	66.4	0	0	112.1	L333 A336 V366 G367 D368 H373 G374 V375 F377 T509 P510	L333-M370 HydrophobicContact CB-CE 4.17Å; L333-M370 HydrophobicContact CB-SD 4.02Å; L333-M370 HydrophobicContact CD2-CE 4.3Å; L333-M370 HydrophobicContact CD2-SD 4.39Å; L333-M370 VanDerWaalsContact O-CE 3.22Å; L333-M370 WeakPolarHBondContact O-CE 3.28Å; A336-M370 HydrophobicContact CB-CE 4Å; V366-M370 HydrophobicContact CG1-SD 4.22Å; V366-M370 WeakPolarHBondContact O-CG 3.47Å; V366-M370 PolarHBondContact O-N 3.15Å; G367-M370 WeakPolarHBondContact O-CB 3.4Å; G367-M370 PolarHBondContact O-N 2.9Å; D368-M370 VanDerWaalsContact C-N 3.35Å; D368-M370 PolarHBondContact O-N 3.07Å; M370-H373 CarbonylContact O-C 3.53Å; M370-H373 PolarHBondContact O-N 3.37Å; M370-H373 VanDerWaalsContact O-N 3.16Å; M370-G374 PolarHBondContact O-N 2.84Å; M370-V375 HydrophobicContact CB-CB 4.09Å; M370-V375 HydrophobicContact CB-CG2 4.1Å; M370-V375 HydrophobicContact CE-CG1 4.23Å; M370-V375 HydrophobicContact CE-CG2 4.07Å; M370-V375 WeakPolarHBondContact O-CB 3.45Å; M370-V375 PolarHBondContact O-N 2.92Å; M370-F377 HydrophobicContact CB-CE2 4.07Å; M370-F377 HydrophobicContact CB-CZ 4.13Å; M370-F377 HydrophobicContact CE-CZ 4.39Å; M370-T509 HydrophobicContact SD-CG2 3.8Å; M370-P510 HydrophobicContact CG-CG 4.3Å
371	E	98.7	Very high	98.7	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-42	178	-168.3	161.8	-143.3	0	0	111.3	G367 D368 H373 G374 V375 F377 K379	G367-E371 WeakPolarHBondContact O-CB 3.4Å; G367-E371 PolarHBondContact O-N 3.47Å; D368-E371 PolarHBondContact O-N 2.9Å; E371-H373 PolarHBondContact O-N 2.79Å; E371-G374 PolarHBondContact O-N 3.19Å; E371-V375 WeakPolarHBondContact CA-O 3.48Å; E371-F377 HydrophobicContact CB-CD2 3.98Å; E371-F377 HydrophobicContact CB-CE2 4.03Å; E371-F377 HydrophobicContact CG-CD2 4.21Å; E371-K379 IonicContact OE1-NZ 3.84Å; E371-K379 PolarHBondContact OE1-NZ 3.39Å; E371-K379 IonicContact OE2-NZ 2.99Å; E371-K379 PolarHBondContact OE2-NZ 3.27Å
372	N	98.5	Very high	98.7	Very high	126 Å²	126	43.8 Å²	43.8	67%	0.674	23%	0.227	S	C	*	.	H	α-helix	trans	-68	-18.8	175.2	-68.4	-26	0	0	0	113.7	D368 Y369	D368-N372 WeakPolarHBondContact O-CB 3.22Å; D368-N372 VanDerWaalsContact O-CG 3.23Å; D368-N372 PolarHBondContact O-N 2.94Å; D368-N372 PolarHBondContact O-ND2 2.83Å; Y369-N372 PolarHBondContact O-N 3.08Å
373	H	98.3	Very high	98.6	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.278	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	31.1	178.4	-66.8	77.5	0	0	0	113.1	Y369 M370 E371 E550	Y369-H373 AromaticContact CD2-CE1 3.7Å; Y369-H373 AromaticContact CD2-ND1 3.88Å; Y369-H373 AromaticContact CE1-CE1 3.98Å; Y369-H373 AromaticContact CE1-ND1 3.8Å; Y369-H373 AromaticContact CE2-CE1 3.16Å; Y369-H373 WeakPolarHBondContact CE2-CE1 3.29Å; Y369-H373 AromaticContact CE2-ND1 3.67Å; Y369-H373 AromaticContact CE2-NE2 3.86Å; Y369-H373 AromaticContact CZ-CE1 3.32Å; Y369-H373 AromaticContact CZ-ND1 3.63Å; Y369-H373 AromaticContact CZ-NE2 3.67Å; Y369-H373 PolarHBondContact O-N 3.35Å; Y369-H373 VanDerWaalsContact O-N 3.15Å; Y369-H373 PolarHBondContact O-ND1 3.37Å; Y369-H373 PolarHBondContact OH-NE2 2.96Å; M370-H373 CarbonylContact O-C 3.53Å; M370-H373 PolarHBondContact O-N 3.37Å; M370-H373 VanDerWaalsContact O-N 3.16Å; E371-H373 PolarHBondContact O-N 2.79Å; H373-E550 IonicContact CE1-OE1 2.75Å; H373-E550 PolarHBondContact CE1-OE1 3.34Å; H373-E550 IonicContact NE2-OE1 2.67Å
374	G	97.9	Very high	98.6	Very high	51 Å²	51	47.5 Å²	47.5	53%	0.526	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-0.5	164.5	0	0	0	0	0	116.3	M370 E371 K376	M370-G374 PolarHBondContact O-N 2.84Å; E371-G374 PolarHBondContact O-N 3.19Å; G374-K376 PolarHBondContact O-N 3.31Å
375	V	98.8	Very high	98.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	24%	0.238	C	C	.	.			trans	-80.6	119.3	172.1	-177.1	0	0	0	0	109.7	A336 A340 V346 V348 M370 E371 F377	A336-V375 HydrophobicContact CB-CG1 4.42Å; A340-V375 HydrophobicContact CB-CG2 3.63Å; V346-V375 HydrophobicContact CG1-CG1 4.38Å; V348-V375 HydrophobicContact CG2-CG1 3.66Å; M370-V375 HydrophobicContact CB-CB 4.09Å; M370-V375 HydrophobicContact CB-CG2 4.1Å; M370-V375 HydrophobicContact CE-CG1 4.23Å; M370-V375 HydrophobicContact CE-CG2 4.07Å; M370-V375 WeakPolarHBondContact O-CB 3.45Å; M370-V375 PolarHBondContact O-N 2.92Å; E371-V375 WeakPolarHBondContact CA-O 3.48Å; V375-F377 HydrophobicContact CB-CE2 4.13Å; V375-F377 HydrophobicContact CG1-CD2 4.38Å; V375-F377 HydrophobicContact CG1-CE2 3.84Å; V375-F377 HydrophobicContact CG1-CZ 4.06Å; V375-F377 WeakPolarHBondContact O-CD2 3.07Å
376	K	98.9	Very high	98.6	Very high	86 Å²	86	42.9 Å²	42.9	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145.9	175.2	-69.5	174.9	-60.4	-50.5	0	110.9	D345 V346 T347 V348 G374	D345-K376 WeakPolarHBondContact OD1-CE 3.33Å; D345-K376 IonicContact OD1-NZ 2.8Å; D345-K376 PolarHBondContact OD1-NZ 2.91Å; V346-K376 PolarHBondContact O-N 2.76Å; V346-K376 PolarHBondContact O-NZ 2.84Å; V346-K376 VanDerWaalsContact O-NZ 3.08Å; T347-K376 CarbonylContact C-O 3.4Å; T347-K376 VanDerWaalsContact CA-O 3.3Å; T347-K376 WeakPolarHBondContact CA-O 3.41Å; T347-K376 HydrophobicContact CG2-CB 4.17Å; T347-K376 VanDerWaalsContact OG1-CE 3.28Å; T347-K376 WeakPolarHBondContact OG1-CE 3.35Å; V348-K376 PolarHBondContact N-O 3.41Å; G374-K376 PolarHBondContact O-N 3.31Å
377	F	98.8	Very high	98.6	Very high	25 Å²	25	48.2 Å²	48.2	11%	0.11	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.4	176.7	-73.8	-91.7	0	0	0	112.2	L333 V348 V350 L354 M370 E371 V375 K379	L333-F377 HydrophobicContact CD2-CE1 4.09Å; L333-F377 HydrophobicContact CD2-CZ 4.45Å; V348-F377 HydrophobicContact CB-CD1 3.78Å; V348-F377 HydrophobicContact CB-CE1 3.79Å; V348-F377 HydrophobicContact CG1-CD1 4.15Å; V348-F377 HydrophobicContact CG1-CE1 4Å; V348-F377 HydrophobicContact CG2-CE1 4.17Å; V348-F377 CarbonylContact O-C 3.25Å; V348-F377 WeakPolarHBondContact O-CA 3.48Å; V350-F377 HydrophobicContact CG2-CD1 3.9Å; V350-F377 HydrophobicContact CG2-CE1 4.42Å; L354-F377 HydrophobicContact CD1-CE1 4.4Å; L354-F377 HydrophobicContact CD2-CE1 4.08Å; M370-F377 HydrophobicContact CB-CE2 4.07Å; M370-F377 HydrophobicContact CB-CZ 4.13Å; M370-F377 HydrophobicContact CE-CZ 4.39Å; E371-F377 HydrophobicContact CB-CD2 3.98Å; E371-F377 HydrophobicContact CB-CE2 4.03Å; E371-F377 HydrophobicContact CG-CD2 4.21Å; V375-F377 HydrophobicContact CB-CE2 4.13Å; V375-F377 HydrophobicContact CG1-CD2 4.38Å; V375-F377 HydrophobicContact CG1-CE2 3.84Å; V375-F377 HydrophobicContact CG1-CZ 4.06Å; V375-F377 WeakPolarHBondContact O-CD2 3.07Å; F377-K379 HydrophobicContact CB-CD 4.32Å; F377-K379 HydrophobicContact CB-CG 3.79Å; F377-K379 PolarHBondContact O-N 2.88Å
378	A	98.7	Very high	98.6	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	82.5	164	0	0	0	0	0	108.6	T347 V348 M349 V350 C381 Y408 F414	T347-A378 HydrophobicContact CG2-CB 4.43Å; V348-A378 PolarHBondContact O-N 3.36Å; M349-A378 HydrophobicContact CB-CB 4.5Å; M349-A378 HydrophobicContact CG-CB 4.42Å; V350-A378 PolarHBondContact N-O 3.29Å; A378-C381 HydrophobicContact CB-CB 4.26Å; A378-Y408 HydrophobicContact CB-CE1 4.46Å; A378-F414 HydrophobicContact CB-CD2 4.32Å; A378-F414 HydrophobicContact CB-CE2 4Å
379	K	98.3	Very high	98.6	Very high	99 Å²	99	51.7 Å²	51.7	43%	0.43	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	147	-176.9	-60	175.4	-176.9	165.4	0	110.9	E371 F377 C381 Y408	E371-K379 IonicContact OE1-NZ 3.84Å; E371-K379 PolarHBondContact OE1-NZ 3.39Å; E371-K379 IonicContact OE2-NZ 2.99Å; E371-K379 PolarHBondContact OE2-NZ 3.27Å; F377-K379 HydrophobicContact CB-CD 4.32Å; F377-K379 HydrophobicContact CB-CG 3.79Å; F377-K379 PolarHBondContact O-N 2.88Å; K379-C381 VanDerWaalsContact C-N 3.28Å; K379-C381 PolarHBondContact O-N 2.83Å; K379-Y408 WeakPolarHBondContact O-CD1 3.45Å
380	L	98.4	Very high	98.6	Very high	84 Å²	84	56.4 Å²	56.4	44%	0.44	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.8	-178.1	-56.6	177.5	0	0	0	113.1	V350 Y408 T409	V350-L380 WeakPolarHBondContact O-CA 3.41Å; V350-L380 PolarHBondContact O-N 3.27Å; L380-Y408 CarbonylContact O-C 3.53Å; L380-Y408 VanDerWaalsContact O-CA 3.31Å; L380-Y408 WeakPolarHBondContact O-CA 3.49Å; L380-T409 HydrophobicContact CB-CG2 3.91Å; L380-T409 WeakPolarHBondContact CB-OG1 3.49Å; L380-T409 PolarHBondContact O-N 2.68Å
381	C	98.7	Very high	98.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.014	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.8	-175.4	-170.1	0	0	0	0	110.9	M349 V350 R351 A378 K379 H407 Y408	M349-C381 HydrophobicContact CG-CB 3.9Å; M349-C381 HydrophobicContact SD-CB 4.44Å; V350-C381 CarbonylContact C-O 3.51Å; V350-C381 PolarHBondContact O-N 3.47Å; V350-C381 VanDerWaalsContact O-N 3.08Å; R351-C381 WeakPolarHBondContact CA-O 3.45Å; R351-C381 PolarHBondContact N-O 3.09Å; A378-C381 HydrophobicContact CB-CB 4.26Å; K379-C381 VanDerWaalsContact C-N 3.28Å; K379-C381 PolarHBondContact O-N 2.83Å; C381-H407 WeakPolarHBondContact CA-O 3.31Å; C381-Y408 HydrophobicContact CB-CD1 3.72Å; C381-Y408 HydrophobicContact CB-CE1 3.8Å; C381-Y408 HydrophobicContact CB-CG 4.35Å
382	V	98.6	Very high	98.5	Very high	39 Å²	39	59.4 Å²	59.4	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.6	175.5	-64.3	0	0	0	0	111	R351 G406 H407	R351-V382 HydrophobicContact CB-CG1 3.98Å; R351-V382 HydrophobicContact CG-CG1 3.59Å; V382-G406 CarbonylContact O-C 3.54Å; V382-G406 WeakPolarHBondContact O-CA 3Å; V382-H407 WeakPolarHBondContact CG2-CE1 3.46Å; V382-H407 WeakPolarHBondContact CG2-NE2 3.45Å; V382-H407 PolarHBondContact N-O 3.4Å; V382-H407 PolarHBondContact O-N 2.82Å
383	P	98.6	Very high	98.4	Very high	21 Å²	21	55.4 Å²	55.4	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	144.5	175.6	35.7	-38.9	0	0	0	111.1	I300 I326 M349	I300-P383 HydrophobicContact CD1-CB 3.64Å; I300-P383 HydrophobicContact CD1-CG 3.79Å; I326-P383 HydrophobicContact CD1-CB 3.9Å; I326-P383 HydrophobicContact CD1-CG 4.07Å; I326-P383 HydrophobicContact CG2-CG 3.93Å; M349-P383 HydrophobicContact SD-CB 4.2Å
384	D	98.6	Very high	98.3	Very high	57 Å²	57	57.9 Å²	57.9	31%	0.305	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-39	176.4	-69.5	-36.4	0	0	0	111.9	I300 K405 G406 H407	I300-D384 WeakPolarHBondContact CB-O 3.27Å; D384-K405 PolarHBondContact N-O 3.27Å; D384-G406 VanDerWaalsContact OD2-C 3.26Å; D384-G406 WeakPolarHBondContact OD2-CA 3.46Å; D384-H407 IonicContact OD1-CE1 2.98Å; D384-H407 PolarHBondContact OD1-CE1 2.85Å; D384-H407 IonicContact OD1-ND1 3.57Å; D384-H407 PolarHBondContact OD1-ND1 2.87Å; D384-H407 IonicContact OD2-CE1 3.66Å; D384-H407 IonicContact OD2-CG 2.83Å; D384-H407 IonicContact OD2-ND1 3.65Å; D384-H407 PolarHBondContact OD2-ND1 2.76Å
385	E	98.6	Very high	98.2	Very high	80 Å²	80	63.7 Å²	63.7	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	144.4	-174.9	-177.4	-176.9	170.2	0	0	111.1	P301 K405	P301-E385 HydrophobicContact CB-CG 4.3Å; E385-K405 HydrophobicContact CB-CB 4.41Å; E385-K405 PolarHBondContact N-O 3.33Å; E385-K405 VanDerWaalsContact N-O 3.17Å; E385-K405 PolarHBondContact O-N 3.48Å
386	I	98.7	Very high	98.1	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.6	168.1	-45.2	-62.6	0	0	0	109.1	I300 P301 G302 Y306 I326 L402 V404 V421 F423	I300-I386 HydrophobicContact CD1-CG1 4.31Å; P301-I386 PolarHBondContact O-N 3.3Å; G302-I386 WeakPolarHBondContact CA-O 3.45Å; Y306-I386 HydrophobicContact CD2-CG2 4.41Å; Y306-I386 WeakPolarHBondContact CD2-O 3.32Å; I326-I386 HydrophobicContact CD1-CD1 4.48Å; I386-L402 HydrophobicContact CG2-CB 4.14Å; I386-L402 HydrophobicContact CG2-CD1 4.2Å; I386-V404 HydrophobicContact CD1-CB 4.14Å; I386-V404 HydrophobicContact CD1-CG1 3.73Å; I386-V404 HydrophobicContact CD1-CG2 3.71Å; I386-V421 HydrophobicContact CD1-CG1 4.27Å; I386-V421 HydrophobicContact CG2-CG2 4.5Å; I386-F423 HydrophobicContact CD1-CZ 4.38Å; I386-F423 HydrophobicContact CG1-CZ 4.05Å
387	K	98.6	Very high	98	Very high	114 Å²	114	68 Å²	68	50%	0.496	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.4	178.9	-178.4	-179.1	178.4	-176.4	0	111.1	L389 L402 L403	K387-L389 PolarHBondContact O-N 2.86Å; K387-L402 CarbonylContact O-C 3.57Å; K387-L402 WeakPolarHBondContact O-CA 3.41Å; K387-L403 HydrophobicContact CB-CB 4.35Å; K387-L403 PolarHBondContact N-O 3Å; K387-L403 PolarHBondContact O-N 3.17Å
388	Q	98.6	Very high	98	Very high	69 Å²	69	72.4 Å²	72.4	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.7	174.1	-172.4	175.8	69.8	0	0	111.4	Y306 L402	Y306-Q388 HydrophobicContact CD1-CB 3.87Å; Y306-Q388 HydrophobicContact CD1-CG 4.4Å; Y306-Q388 HydrophobicContact CD2-CB 4.23Å; Y306-Q388 HydrophobicContact CE1-CB 3.68Å; Y306-Q388 HydrophobicContact CE1-CG 4.35Å; Y306-Q388 HydrophobicContact CE2-CB 4.05Å; Y306-Q388 HydrophobicContact CG-CB 4.14Å; Q388-L402 HydrophobicContact CB-CD2 4.17Å; Q388-L402 HydrophobicContact CG-CD2 4.26Å
389	L	98.4	Very high	98	Very high	76 Å²	76	72.8 Å²	72.8	40%	0.398	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-33.8	171.8	-56.5	-175.2	0	0	0	111.5	K387 L401 L403 E417	K387-L389 PolarHBondContact O-N 2.86Å; L389-L401 WeakPolarHBondContact CA-O 3.48Å; L389-L401 HydrophobicContact CB-CB 4.24Å; L389-L401 HydrophobicContact CB-CD2 4.19Å; L389-L401 HydrophobicContact CB-CG 4.24Å; L389-L401 WeakPolarHBondContact CB-O 3.37Å; L389-L401 HydrophobicContact CD1-CD2 4.07Å; L389-L401 HydrophobicContact CD1-CG 4.23Å; L389-L401 PolarHBondContact N-O 2.93Å; L389-L403 HydrophobicContact CD1-CB 4.02Å; L389-L403 HydrophobicContact CD2-CB 4.18Å; L389-L403 HydrophobicContact CG-CB 4.06Å; L389-E417 HydrophobicContact CD1-CG 3.94Å
390	K	98.4	Very high	97.9	Very high	108 Å²	108	68.3 Å²	68.3	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.7	175.1	-170.9	-172.4	173.9	-167.1	0	110	G400 L401	K390-G400 VanDerWaalsContact O-CA 3.25Å; K390-G400 WeakPolarHBondContact O-CA 3.44Å; K390-L401 HydrophobicContact CB-CB 3.71Å; K390-L401 PolarHBondContact N-O 3.46Å; K390-L401 PolarHBondContact O-N 3.23Å
391	V	97.9	Very high	98	Very high	95 Å²	95	66.6 Å²	66.6	58%	0.576	34%	0.343	S	S	*	.			trans	-72.5	149.4	175.4	-173.8	0	0	0	0	109.9	D393	V391-D393 PolarHBondContact O-N 3.13Å
392	V	97.8	Very high	98	Very high	46 Å²	46	67 Å²	67	28%	0.279	34%	0.344	S	S	.	.			trans	-57	129.9	170.1	175	0	0	0	0	109.7	Y318 T394	Y318-V392 HydrophobicContact CD1-CG1 3.9Å; Y318-V392 HydrophobicContact CE1-CG1 3.42Å; Y318-V392 VanDerWaalsContact CE1-CG1 3.42Å; Y318-V392 HydrophobicContact CE1-CG2 4.42Å; V392-T394 HydrophobicContact CG1-CG2 4.22Å; V392-T394 PolarHBondContact O-N 3.08Å
393	D	97.6	Very high	98	Very high	43 Å²	43	66.1 Å²	66.1	23%	0.23	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-90.9	92.5	176.8	-176.9	-16.2	0	0	0	108.9	V391 E395 N396 N397 K398	V391-D393 PolarHBondContact O-N 3.13Å; D393-E395 VanDerWaalsContact C-N 3.28Å; D393-E395 PolarHBondContact O-N 3.11Å; D393-E395 PolarHBondContact OD1-N 2.05Å; D393-N396 VanDerWaalsContact CG-ND2 3.35Å; D393-N396 PolarHBondContact OD1-N 3.32Å; D393-N396 PolarHBondContact OD1-ND2 2.86Å; D393-N396 WeakPolarHBondContact OD2-CB 3.48Å; D393-N396 PolarHBondContact OD2-ND2 2.86Å; D393-N397 PolarHBondContact O-N 3.4Å; D393-N397 VanDerWaalsContact O-N 3.09Å; D393-K398 HydrophobicContact CB-CB 4.17Å; D393-K398 PolarHBondContact N-O 3.24Å; D393-K398 PolarHBondContact O-N 2.97Å
394	T	95.6	Very high	98	Very high	111 Å²	111	65.1 Å²	65.1	68%	0.681	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.1	-177.3	53	0	0	0	0	113.2	V392	V392-T394 HydrophobicContact CG1-CG2 4.22Å; V392-T394 PolarHBondContact O-N 3.08Å
395	E	96.4	Very high	98	Very high	173 Å²	173	65.6 Å²	65.6	81%	0.808	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.2	179.2	-66.9	-175.8	171.1	0	0	111.2	D393	D393-E395 VanDerWaalsContact C-N 3.28Å; D393-E395 PolarHBondContact O-N 3.11Å; D393-E395 PolarHBondContact OD1-N 2.05Å
396	N	96.8	Very high	98	Very high	98 Å²	98	61.9 Å²	61.9	52%	0.524	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6	-177.6	-61.1	-65.7	0	0	0	114.2	D393 K398	D393-N396 VanDerWaalsContact CG-ND2 3.35Å; D393-N396 PolarHBondContact OD1-N 3.32Å; D393-N396 PolarHBondContact OD1-ND2 2.86Å; D393-N396 WeakPolarHBondContact OD2-CB 3.48Å; D393-N396 PolarHBondContact OD2-ND2 2.86Å; N396-K398 HydrophobicContact CB-CD 4.42Å; N396-K398 HydrophobicContact CB-CG 4.33Å; N396-K398 PolarHBondContact O-N 3.14Å
397	N	97	Very high	98	Very high	82 Å²	82	65 Å²	65	44%	0.439	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	53.6	-174.8	-65.9	-47.4	0	0	0	112.2	Y318 D393	Y318-N397 WeakPolarHBondContact CB-O 3.47Å; D393-N397 PolarHBondContact O-N 3.4Å; D393-N397 VanDerWaalsContact O-N 3.09Å
398	K	98	Very high	98	Very high	117 Å²	117	62.7 Å²	62.7	51%	0.509	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-121.5	142.3	175.6	-62.5	-178	178.2	178.9	0	111.5	D393 N396	D393-K398 HydrophobicContact CB-CB 4.17Å; D393-K398 PolarHBondContact N-O 3.24Å; D393-K398 PolarHBondContact O-N 2.97Å; N396-K398 HydrophobicContact CB-CD 4.42Å; N396-K398 HydrophobicContact CB-CG 4.33Å; N396-K398 PolarHBondContact O-N 3.14Å
399	P	97.9	Very high	97.9	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.084	33%	0.332	C	S	.	.			trans	-64.8	164.7	175.5	31.1	-36.7	0	0	0	111.3	Y318 E419	Y318-P399 HydrophobicContact CD2-CB 3.72Å; Y318-P399 HydrophobicContact CD2-CG 4.42Å; Y318-P399 HydrophobicContact CE2-CB 3.67Å; P399-E419 HydrophobicContact CB-CB 3.88Å; P399-E419 HydrophobicContact CG-CB 3.77Å; P399-E419 HydrophobicContact CG-CG 4.17Å; P399-E419 WeakPolarHBondContact CG-OE1 3.2Å
400	G	97.7	Very high	97.9	Very high	5 Å²	5	65.2 Å²	65.2	5%	0.052	34%	0.337	C	S	.	.			trans	-78.9	-153.8	170.8	0	0	0	0	0	111.6	K390 E419	K390-G400 VanDerWaalsContact O-CA 3.25Å; K390-G400 WeakPolarHBondContact O-CA 3.44Å; G400-E419 WeakPolarHBondContact O-CA 3.08Å
401	L	98.7	Very high	97.8	Very high	48 Å²	48	62.6 Å²	62.6	25%	0.251	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.8	170.3	-172.2	67.9	0	0	0	108.3	L389 K390 E417 E419	L389-L401 WeakPolarHBondContact CA-O 3.48Å; L389-L401 HydrophobicContact CB-CB 4.24Å; L389-L401 HydrophobicContact CB-CD2 4.19Å; L389-L401 HydrophobicContact CB-CG 4.24Å; L389-L401 WeakPolarHBondContact CB-O 3.37Å; L389-L401 HydrophobicContact CD1-CD2 4.07Å; L389-L401 HydrophobicContact CD1-CG 4.23Å; L389-L401 PolarHBondContact N-O 2.93Å; K390-L401 HydrophobicContact CB-CB 3.71Å; K390-L401 PolarHBondContact N-O 3.46Å; K390-L401 PolarHBondContact O-N 3.23Å; L401-E417 HydrophobicContact CD1-CB 4.15Å; L401-E419 HydrophobicContact CD1-CG 4.36Å
402	L	98.8	Very high	97.8	Very high	9 Å²	9	64.5 Å²	64.5	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.3	-173.5	-54.7	179.3	0	0	0	109.3	Y306 I386 K387 Q388 E417 F418 V421	Y306-L402 HydrophobicContact CG-CD2 4.3Å; Y306-L402 WeakPolarHBondContact O-CD1 3.37Å; I386-L402 HydrophobicContact CG2-CB 4.14Å; I386-L402 HydrophobicContact CG2-CD1 4.2Å; K387-L402 CarbonylContact O-C 3.57Å; K387-L402 WeakPolarHBondContact O-CA 3.41Å; Q388-L402 HydrophobicContact CB-CD2 4.17Å; Q388-L402 HydrophobicContact CG-CD2 4.26Å; L402-E417 CarbonylContact O-C 3.5Å; L402-E417 WeakPolarHBondContact O-CA 3.47Å; L402-F418 PolarHBondContact N-O 3.4Å; L402-F418 PolarHBondContact O-N 3.3Å; L402-V421 HydrophobicContact CB-CG2 4.28Å; L402-V421 HydrophobicContact CD1-CB 4.1Å; L402-V421 HydrophobicContact CD1-CG2 3.77Å
403	L	98.8	Very high	97.8	Very high	22 Å²	22	69.5 Å²	69.5	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.5	168	-177.8	65.5	0	0	0	108.8	K387 L389 K405 E415 E417	K387-L403 HydrophobicContact CB-CB 4.35Å; K387-L403 PolarHBondContact N-O 3Å; K387-L403 PolarHBondContact O-N 3.17Å; L389-L403 HydrophobicContact CD1-CB 4.02Å; L389-L403 HydrophobicContact CD2-CB 4.18Å; L389-L403 HydrophobicContact CG-CB 4.06Å; L403-K405 HydrophobicContact CG-CG 4.47Å; L403-E415 HydrophobicContact CD1-CG 3.75Å; L403-E415 HydrophobicContact CG-CG 4.38Å; L403-E417 HydrophobicContact CD1-CG 4.04Å
404	V	98.8	Very high	97.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.6	175.6	-178.9	0	0	0	0	109.2	L324 M349 I386 F414 E415 E416 F418 V421	L324-V404 HydrophobicContact CD2-CB 4.02Å; L324-V404 HydrophobicContact CD2-CG1 3.65Å; L324-V404 HydrophobicContact CD2-CG2 3.78Å; M349-V404 HydrophobicContact CE-CG1 4.44Å; I386-V404 HydrophobicContact CD1-CB 4.14Å; I386-V404 HydrophobicContact CD1-CG1 3.73Å; I386-V404 HydrophobicContact CD1-CG2 3.71Å; V404-F414 HydrophobicContact CB-CE1 4.25Å; V404-F414 HydrophobicContact CG1-CD1 4.4Å; V404-F414 HydrophobicContact CG1-CE1 4.11Å; V404-E415 WeakPolarHBondContact O-CA 3.43Å; V404-E416 PolarHBondContact N-O 2.87Å; V404-E416 PolarHBondContact O-N 3.22Å; V404-E416 VanDerWaalsContact O-N 3.17Å; V404-F418 HydrophobicContact CB-CD2 4.27Å; V404-F418 HydrophobicContact CB-CE2 4.46Å; V404-F418 HydrophobicContact CG2-CD2 3.84Å; V404-F418 HydrophobicContact CG2-CE2 4.45Å; V404-V421 HydrophobicContact CG2-CG2 3.57Å
405	K	98.7	Very high	98	Very high	67 Å²	67	68.1 Å²	68.1	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.2	171	-62.2	-169.5	179.5	-127.7	0	109.8	D384 E385 L403 F414 E415	D384-K405 PolarHBondContact N-O 3.27Å; E385-K405 HydrophobicContact CB-CB 4.41Å; E385-K405 PolarHBondContact N-O 3.33Å; E385-K405 VanDerWaalsContact N-O 3.17Å; E385-K405 PolarHBondContact O-N 3.48Å; L403-K405 HydrophobicContact CG-CG 4.47Å; K405-F414 CarbonylContact C-O 3.6Å; K405-F414 WeakPolarHBondContact CA-O 3.1Å; K405-E415 WeakPolarHBondContact CE-OE2 3.41Å; K405-E415 HydrophobicContact CG-CG 4.22Å; K405-E415 IonicContact NZ-OE1 3.67Å; K405-E415 PolarHBondContact NZ-OE1 2.99Å; K405-E415 VanDerWaalsContact NZ-OE1 3.07Å; K405-E415 IonicContact NZ-OE2 3.09Å; K405-E415 PolarHBondContact NZ-OE2 2.84Å
406	G	98.6	Very high	98.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	-173.3	177.5	0	0	0	0	0	112	V382 D384 F414	V382-G406 CarbonylContact O-C 3.54Å; V382-G406 WeakPolarHBondContact O-CA 3Å; D384-G406 VanDerWaalsContact OD2-C 3.26Å; D384-G406 WeakPolarHBondContact OD2-CA 3.46Å; G406-F414 PolarHBondContact N-O 2.79Å; G406-F414 PolarHBondContact O-N 2.92Å
407	H	98.6	Very high	98.2	Very high	68 Å²	68	62.9 Å²	62.9	32%	0.315	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.3	173.9	63	-84.8	0	0	0	112	C381 V382 D384 K412 K413	C381-H407 WeakPolarHBondContact CA-O 3.31Å; V382-H407 WeakPolarHBondContact CG2-CE1 3.46Å; V382-H407 WeakPolarHBondContact CG2-NE2 3.45Å; V382-H407 PolarHBondContact N-O 3.4Å; V382-H407 PolarHBondContact O-N 2.82Å; D384-H407 IonicContact OD1-CE1 2.98Å; D384-H407 PolarHBondContact OD1-CE1 2.85Å; D384-H407 IonicContact OD1-ND1 3.57Å; D384-H407 PolarHBondContact OD1-ND1 2.87Å; D384-H407 IonicContact OD2-CE1 3.66Å; D384-H407 IonicContact OD2-CG 2.83Å; D384-H407 IonicContact OD2-ND1 3.65Å; D384-H407 PolarHBondContact OD2-ND1 2.76Å; H407-K412 WeakPolarHBondContact CA-O 3.28Å; H407-K413 HydrophobicContact CB-CD 4.29Å
408	Y	98.7	Very high	98.3	Very high	66 Å²	66	59 Å²	59	26%	0.259	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	158.3	169.4	-67.4	-86.5	0	0	0	110.3	A378 K379 L380 C381 D410 G411 K412 F414	A378-Y408 HydrophobicContact CB-CE1 4.46Å; K379-Y408 WeakPolarHBondContact O-CD1 3.45Å; L380-Y408 CarbonylContact O-C 3.53Å; L380-Y408 VanDerWaalsContact O-CA 3.31Å; L380-Y408 WeakPolarHBondContact O-CA 3.49Å; C381-Y408 HydrophobicContact CB-CD1 3.72Å; C381-Y408 HydrophobicContact CB-CE1 3.8Å; C381-Y408 HydrophobicContact CB-CG 4.35Å; Y408-D410 VanDerWaalsContact CB-OD1 3.27Å; Y408-D410 WeakPolarHBondContact CB-OD1 3.47Å; Y408-D410 PolarHBondContact O-N 3.19Å; Y408-D410 VanDerWaalsContact O-N 3.15Å; Y408-G411 PolarHBondContact O-N 3.47Å; Y408-K412 HydrophobicContact CD2-CB 3.87Å; Y408-K412 WeakPolarHBondContact CD2-O 3.19Å; Y408-K412 HydrophobicContact CG-CB 4.45Å; Y408-K412 PolarHBondContact N-O 3.01Å; Y408-F414 HydrophobicContact CD2-CB 4.42Å; Y408-F414 HydrophobicContact CE2-CB 3.94Å; Y408-F414 HydrophobicContact CE2-CD2 4.09Å; Y408-F414 AromaticContact CZ-CD2 3.98Å
409	T	97.2	Very high	98.4	Very high	105 Å²	105	56.9 Å²	56.9	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	176.5	54.1	0	0	0	0	113.7	L380 G411	L380-T409 HydrophobicContact CB-CG2 3.91Å; L380-T409 WeakPolarHBondContact CB-OG1 3.49Å; L380-T409 PolarHBondContact O-N 2.68Å; T409-G411 VanDerWaalsContact C-N 3.29Å
410	D	97.5	Very high	98.4	Very high	92 Å²	92	56.5 Å²	56.5	49%	0.492	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.1	174.8	72.1	0.1	0	0	0	113.7	Y408 K412	Y408-D410 VanDerWaalsContact CB-OD1 3.27Å; Y408-D410 WeakPolarHBondContact CB-OD1 3.47Å; Y408-D410 PolarHBondContact O-N 3.19Å; Y408-D410 VanDerWaalsContact O-N 3.15Å; D410-K412 WeakPolarHBondContact OD1-CB 3.42Å; D410-K412 VanDerWaalsContact OD1-CG 3.32Å; D410-K412 WeakPolarHBondContact OD1-CG 3.37Å; D410-K412 PolarHBondContact OD1-N 3.43Å; D410-K412 WeakPolarHBondContact OD2-CD 3.49Å; D410-K412 WeakPolarHBondContact OD2-CE 3.25Å; D410-K412 IonicContact OD2-NZ 2.77Å; D410-K412 PolarHBondContact OD2-NZ 2.88Å
411	G	96.9	Very high	98.5	Very high	53 Å²	53	56.3 Å²	56.3	55%	0.546	28%	0.282	S	S	.	.	S	Bend	trans	87.8	-6.1	178.4	0	0	0	0	0	115.1	Y408 T409	Y408-G411 PolarHBondContact O-N 3.47Å; T409-G411 VanDerWaalsContact C-N 3.29Å
412	K	98.1	Very high	98.5	Very high	135 Å²	135	54.1 Å²	54.1	59%	0.587	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-61.1	142.1	172	-68.5	171.3	-171	141.3	0	109.9	H407 Y408 D410	H407-K412 WeakPolarHBondContact CA-O 3.28Å; Y408-K412 HydrophobicContact CD2-CB 3.87Å; Y408-K412 WeakPolarHBondContact CD2-O 3.19Å; Y408-K412 HydrophobicContact CG-CB 4.45Å; Y408-K412 PolarHBondContact N-O 3.01Å; D410-K412 WeakPolarHBondContact OD1-CB 3.42Å; D410-K412 VanDerWaalsContact OD1-CG 3.32Å; D410-K412 WeakPolarHBondContact OD1-CG 3.37Å; D410-K412 PolarHBondContact OD1-N 3.43Å; D410-K412 WeakPolarHBondContact OD2-CD 3.49Å; D410-K412 WeakPolarHBondContact OD2-CE 3.25Å; D410-K412 IonicContact OD2-NZ 2.77Å; D410-K412 PolarHBondContact OD2-NZ 2.88Å
413	K	98.3	Very high	98.5	Very high	152 Å²	152	53.7 Å²	53.7	66%	0.661	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	138.6	175.9	-65.7	-58.3	-171	177.6	0	110.6	H407	H407-K413 HydrophobicContact CB-CD 4.29Å
414	F	98.7	Very high	98.5	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	166.8	-180	-84.3	0	0	0	107.4	M349 A378 V404 K405 G406 Y408 E416 F418	M349-F414 HydrophobicContact CE-CD1 3.57Å; M349-F414 HydrophobicContact CE-CD2 4.23Å; M349-F414 HydrophobicContact CE-CE1 3.56Å; M349-F414 HydrophobicContact CE-CE2 4.22Å; M349-F414 HydrophobicContact CE-CG 3.93Å; M349-F414 HydrophobicContact CE-CZ 3.9Å; A378-F414 HydrophobicContact CB-CD2 4.32Å; A378-F414 HydrophobicContact CB-CE2 4Å; V404-F414 HydrophobicContact CB-CE1 4.25Å; V404-F414 HydrophobicContact CG1-CD1 4.4Å; V404-F414 HydrophobicContact CG1-CE1 4.11Å; K405-F414 CarbonylContact C-O 3.6Å; K405-F414 WeakPolarHBondContact CA-O 3.1Å; G406-F414 PolarHBondContact N-O 2.79Å; G406-F414 PolarHBondContact O-N 2.92Å; Y408-F414 HydrophobicContact CD2-CB 4.42Å; Y408-F414 HydrophobicContact CE2-CB 3.94Å; Y408-F414 HydrophobicContact CE2-CD2 4.09Å; Y408-F414 AromaticContact CZ-CD2 3.98Å; F414-E416 HydrophobicContact CE1-CB 3.97Å; F414-E416 HydrophobicContact CZ-CB 3.83Å; F414-F418 HydrophobicContact CE1-CE2 4.07Å; F414-F418 AromaticContact CZ-CE2 3.89Å; F414-F418 HydrophobicContact CZ-CE2 3.89Å; F414-F418 HydrophobicContact CZ-CZ 4.04Å
415	E	98.6	Very high	98.4	Very high	114 Å²	114	56 Å²	56	53%	0.533	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	109.9	175	-174	161.8	156.7	0	0	108.3	L403 V404 K405	L403-E415 HydrophobicContact CD1-CG 3.75Å; L403-E415 HydrophobicContact CG-CG 4.38Å; V404-E415 WeakPolarHBondContact O-CA 3.43Å; K405-E415 WeakPolarHBondContact CE-OE2 3.41Å; K405-E415 HydrophobicContact CG-CG 4.22Å; K405-E415 IonicContact NZ-OE1 3.67Å; K405-E415 PolarHBondContact NZ-OE1 2.99Å; K405-E415 VanDerWaalsContact NZ-OE1 3.07Å; K405-E415 IonicContact NZ-OE2 3.09Å; K405-E415 PolarHBondContact NZ-OE2 2.84Å
416	E	98.7	Very high	98.3	Very high	63 Å²	63	54.1 Å²	54.1	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.9	-176.1	-175.1	171.8	-170.6	0	0	111.4	K322 V404 F414 F418	K322-E416 WeakPolarHBondContact CE-OE1 3.42Å; K322-E416 IonicContact NZ-OE1 3.13Å; K322-E416 PolarHBondContact NZ-OE1 3.3Å; V404-E416 PolarHBondContact N-O 2.87Å; V404-E416 PolarHBondContact O-N 3.22Å; V404-E416 VanDerWaalsContact O-N 3.17Å; F414-E416 HydrophobicContact CE1-CB 3.97Å; F414-E416 HydrophobicContact CZ-CB 3.83Å; E416-F418 HydrophobicContact CB-CE2 3.72Å; E416-F418 HydrophobicContact CB-CZ 4.15Å; E416-F418 HydrophobicContact CG-CD2 4.47Å; E416-F418 HydrophobicContact CG-CE2 3.72Å; E416-F418 HydrophobicContact CG-CZ 3.78Å; E416-F418 WeakPolarHBondContact OE2-CZ 3.28Å
417	E	98.8	Very high	98.3	Very high	97 Å²	97	55.9 Å²	55.9	45%	0.453	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.5	178.7	-61.8	179.9	-176.7	0	0	111.9	K322 L389 L401 L402 L403	K322-E417 WeakPolarHBondContact CD-O 3.39Å; K322-E417 WeakPolarHBondContact CE-O 3.1Å; K322-E417 PolarHBondContact NZ-O 3.1Å; L389-E417 HydrophobicContact CD1-CG 3.94Å; L401-E417 HydrophobicContact CD1-CB 4.15Å; L402-E417 CarbonylContact O-C 3.5Å; L402-E417 WeakPolarHBondContact O-CA 3.47Å; L403-E417 HydrophobicContact CD1-CG 4.04Å
418	F	98.9	Very high	98.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.3	177.2	-63.3	-87.3	0	0	0	110.3	K322 L324 L402 V404 F414 E416 V421	K322-F418 HydrophobicContact CD-CD1 4.34Å; K322-F418 HydrophobicContact CG-CD1 3.85Å; K322-F418 HydrophobicContact CG-CE1 4.36Å; K322-F418 CarbonylContact O-C 3.59Å; L324-F418 HydrophobicContact CB-CB 4.3Å; L324-F418 HydrophobicContact CB-CD1 3.64Å; L324-F418 HydrophobicContact CB-CD2 3.81Å; L324-F418 HydrophobicContact CB-CE1 3.86Å; L324-F418 HydrophobicContact CB-CE2 3.98Å; L324-F418 HydrophobicContact CB-CG 3.63Å; L324-F418 HydrophobicContact CB-CZ 4.03Å; L324-F418 HydrophobicContact CD1-CE1 4.23Å; L324-F418 HydrophobicContact CD1-CE2 4.15Å; L324-F418 HydrophobicContact CD1-CZ 3.86Å; L324-F418 HydrophobicContact CD2-CD2 4.18Å; L324-F418 HydrophobicContact CD2-CE2 4.01Å; L324-F418 HydrophobicContact CG-CD2 4.48Å; L324-F418 HydrophobicContact CG-CE2 4.28Å; L324-F418 HydrophobicContact CG-CZ 4.36Å; L402-F418 PolarHBondContact N-O 3.4Å; L402-F418 PolarHBondContact O-N 3.3Å; V404-F418 HydrophobicContact CB-CD2 4.27Å; V404-F418 HydrophobicContact CB-CE2 4.46Å; V404-F418 HydrophobicContact CG2-CD2 3.84Å; V404-F418 HydrophobicContact CG2-CE2 4.45Å; F414-F418 HydrophobicContact CE1-CE2 4.07Å; F414-F418 AromaticContact CZ-CE2 3.89Å; F414-F418 HydrophobicContact CZ-CE2 3.89Å; F414-F418 HydrophobicContact CZ-CZ 4.04Å; E416-F418 HydrophobicContact CB-CE2 3.72Å; E416-F418 HydrophobicContact CB-CZ 4.15Å; E416-F418 HydrophobicContact CG-CD2 4.47Å; E416-F418 HydrophobicContact CG-CE2 3.72Å; E416-F418 HydrophobicContact CG-CZ 3.78Å; E416-F418 WeakPolarHBondContact OE2-CZ 3.28Å; F418-V421 HydrophobicContact CB-CG2 4.43Å
419	E	98.8	Very high	98.3	Very high	74 Å²	74	53.8 Å²	53.8	35%	0.346	29%	0.285	S	S	.	.	S	Bend	trans	-76.5	-33.5	175.5	-70.7	-179.5	104.7	0	0	111.6	P320 G321 K322 P399 G400 L401	P320-E419 WeakPolarHBondContact O-CB 3.43Å; G321-E419 WeakPolarHBondContact CA-OE2 3.15Å; K322-E419 HydrophobicContact CB-CG 4.4Å; K322-E419 PolarHBondContact N-OE2 3.09Å; K322-E419 PolarHBondContact O-N 2.63Å; P399-E419 HydrophobicContact CB-CB 3.88Å; P399-E419 HydrophobicContact CG-CB 3.77Å; P399-E419 HydrophobicContact CG-CG 4.17Å; P399-E419 WeakPolarHBondContact CG-OE1 3.2Å; G400-E419 WeakPolarHBondContact O-CA 3.08Å; L401-E419 HydrophobicContact CD1-CG 4.36Å
420	T	98.8	Very high	98.3	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.7	176.5	-61	0	0	0	0	111.6	I308 P320 K322 T323 L324 I422	I308-T420 HydrophobicContact CD1-CG2 3.65Å; I308-T420 HydrophobicContact CG1-CG2 3.93Å; P320-T420 WeakPolarHBondContact CA-OG1 3.16Å; P320-T420 HydrophobicContact CB-CG2 4.32Å; P320-T420 VanDerWaalsContact O-CB 3.3Å; P320-T420 WeakPolarHBondContact O-CB 3.43Å; P320-T420 PolarHBondContact O-OG1 3.14Å; K322-T420 PolarHBondContact O-N 2.98Å; T323-T420 WeakPolarHBondContact CA-O 3.38Å; L324-T420 PolarHBondContact N-O 3.04Å; T420-I422 HydrophobicContact CG2-CG1 3.98Å
421	V	98.9	Very high	98.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.9	172	177.3	0	0	0	0	109.3	G307 I308 L324 I326 I386 L402 V404 F418 F423	G307-V421 WeakPolarHBondContact CA-O 3.31Å; I308-V421 PolarHBondContact N-O 3.39Å; L324-V421 HydrophobicContact CB-CG2 4.34Å; L324-V421 CarbonylContact O-C 3.48Å; L324-V421 WeakPolarHBondContact O-CA 3.42Å; I326-V421 HydrophobicContact CD1-CG1 3.76Å; I326-V421 HydrophobicContact CG1-CG1 4.44Å; I386-V421 HydrophobicContact CD1-CG1 4.27Å; I386-V421 HydrophobicContact CG2-CG2 4.5Å; L402-V421 HydrophobicContact CB-CG2 4.28Å; L402-V421 HydrophobicContact CD1-CB 4.1Å; L402-V421 HydrophobicContact CD1-CG2 3.77Å; V404-V421 HydrophobicContact CG2-CG2 3.57Å; F418-V421 HydrophobicContact CB-CG2 4.43Å; V421-F423 HydrophobicContact CG1-CE1 4.38Å; V421-F423 HydrophobicContact CG1-CE2 4.16Å; V421-F423 HydrophobicContact CG1-CZ 4Å
422	I	98.9	Very high	98.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.7	-178.3	-49.8	-178.9	0	0	0	109.7	I308 L313 T323 L324 V325 I326 L339 T420	I308-I422 HydrophobicContact CD1-CG1 4.15Å; I308-I422 HydrophobicContact CG1-CB 4.5Å; I308-I422 HydrophobicContact CG1-CG1 3.95Å; I308-I422 CarbonylContact O-C 3.52Å; I308-I422 WeakPolarHBondContact O-CA 3.27Å; L313-I422 HydrophobicContact CD1-CD1 3.9Å; L313-I422 HydrophobicContact CD2-CD1 4.03Å; L313-I422 HydrophobicContact CG-CD1 4.49Å; T323-I422 HydrophobicContact CG2-CD1 3.63Å; T323-I422 HydrophobicContact CG2-CG1 3.87Å; L324-I422 PolarHBondContact O-N 3.29Å; V325-I422 WeakPolarHBondContact CA-O 3.47Å; V325-I422 HydrophobicContact CG2-CB 4.35Å; V325-I422 HydrophobicContact CG2-CD1 4.34Å; I326-I422 PolarHBondContact N-O 3.31Å; L339-I422 HydrophobicContact CD1-CD1 3.77Å; T420-I422 HydrophobicContact CG2-CG1 3.98Å
423	F	98.9	Very high	98.1	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.9	173.3	-65.1	-72	0	0	0	111.3	Y297 P298 I300 A303 I308 T309 I326 I386 V421	Y297-F423 AromaticContact CD1-CD2 3.8Å; Y297-F423 HydrophobicContact CD1-CD2 3.8Å; Y297-F423 HydrophobicContact CD1-CE2 4.28Å; Y297-F423 HydrophobicContact CD1-CG 4.42Å; Y297-F423 AromaticContact CE1-CD2 3.86Å; Y297-F423 HydrophobicContact CE1-CD2 3.86Å; Y297-F423 HydrophobicContact CE1-CE2 4.47Å; P298-F423 VanDerWaalsContact CD-CD1 3.45Å; P298-F423 HydrophobicContact CG-CD1 3.53Å; P298-F423 HydrophobicContact CG-CE1 3.33Å; P298-F423 HydrophobicContact CG-CG 4.37Å; P298-F423 HydrophobicContact CG-CZ 4.05Å; I300-F423 HydrophobicContact CD1-CE1 4.42Å; I300-F423 HydrophobicContact CD1-CZ 4.48Å; A303-F423 HydrophobicContact CB-CE1 4.43Å; A303-F423 HydrophobicContact CB-CE2 3.77Å; A303-F423 HydrophobicContact CB-CZ 3.65Å; A303-F423 VanDerWaalsContact O-CE2 3.26Å; A303-F423 WeakPolarHBondContact O-CE2 3.36Å; I308-F423 PolarHBondContact O-N 3.49Å; T309-F423 HydrophobicContact CG2-CB 4.35Å; I326-F423 HydrophobicContact CB-CD1 4.01Å; I326-F423 HydrophobicContact CB-CE1 4.31Å; I326-F423 HydrophobicContact CD1-CD1 4.04Å; I326-F423 HydrophobicContact CD1-CE1 3.46Å; I326-F423 VanDerWaalsContact CD1-CE1 3.46Å; I326-F423 HydrophobicContact CD1-CZ 4.19Å; I326-F423 HydrophobicContact CG1-CE1 4.43Å; I326-F423 HydrophobicContact CG2-CD1 4.27Å; I326-F423 HydrophobicContact CG2-CE1 4.47Å; I386-F423 HydrophobicContact CD1-CZ 4.38Å; I386-F423 HydrophobicContact CG1-CZ 4.05Å; V421-F423 HydrophobicContact CG1-CE1 4.38Å; V421-F423 HydrophobicContact CG1-CE2 4.16Å; V421-F423 HydrophobicContact CG1-CZ 4Å
424	A	98.7	Very high	98.1	Very high	9 Å²	9	39.4 Å²	39.4	7%	0.074	21%	0.208	C	C	.	.			trans	-130.2	45.9	177.5	0	0	0	0	0	111.1	V325 I326 S329 V331 A332 G426	V325-A424 HydrophobicContact CG1-CB 4.29Å; I326-A424 CarbonylContact O-C 3.52Å; I326-A424 PolarHBondContact O-N 3.18Å; S329-A424 PolarHBondContact OG-O 2.71Å; V331-A424 HydrophobicContact CG1-CB 4.41Å; A332-A424 HydrophobicContact CB-CB 3.61Å; A424-G426 VanDerWaalsContact C-N 3.3Å; A424-G426 PolarHBondContact O-N 2.57Å
425	V	98.1	Very high	97.9	Very high	60 Å²	60	39.5 Å²	39.5	36%	0.364	21%	0.209	S	C	.	.	S	Bend	trans	-89.3	14.3	-172.2	-61.1	0	0	0	0	114.2	K296 I326	K296-V425 HydrophobicContact CB-CG2 4.03Å; K296-V425 WeakPolarHBondContact O-CG2 3.39Å; I326-V425 HydrophobicContact CG2-CG1 3.96Å; I326-V425 WeakPolarHBondContact O-CG1 3.3Å
426	G	96.5	Very high	97.5	Very high	29 Å²	29	35.5 Å²	35.5	30%	0.299	19%	0.193	S	C	.	.			trans	114.3	177.4	-177.1	0	0	0	0	0	112.6	K296 A424	K296-G426 PolarHBondContact N-O 2.83Å; A424-G426 VanDerWaalsContact C-N 3.3Å; A424-G426 PolarHBondContact O-N 2.57Å
427	R	98.5	Very high	97.2	Very high	38 Å²	38	41.1 Å²	41.1	14%	0.143	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.1	179.6	-59.8	179.8	69.9	89	-1.2	109.8	E293 R294 D311	E293-R427 HydrophobicContact CB-CB 3.83Å; E293-R427 PolarHBondContact O-NH2 2.89Å; E293-R427 WeakPolarHBondContact OE2-CB 3.11Å; R294-R427 CarbonylContact O-C 3.59Å; R294-R427 WeakPolarHBondContact O-CA 3.49Å; R294-R427 WeakPolarHBondContact O-CB 3.39Å; D311-R427 IonicContact OD1-CZ 3.59Å; D311-R427 IonicContact OD1-NH1 2.81Å; D311-R427 PolarHBondContact OD1-NH1 2.7Å; D311-R427 IonicContact OD1-NH2 3.74Å
428	E	98.1	Very high	96.8	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.5	177.2	50.1	-176.7	-152.4	0	0	114.2	E293 R294 K296	E293-E428 CarbonylContact C-O 3.58Å; E293-E428 WeakPolarHBondContact CA-O 3.48Å; E293-E428 WeakPolarHBondContact CB-O 3.43Å; R294-E428 PolarHBondContact N-O 3.47Å; R294-E428 PolarHBondContact O-N 3.47Å; K296-E428 HydrophobicContact CD-CB 4.46Å; K296-E428 VanDerWaalsContact CE-CB 3.45Å; K296-E428 VanDerWaalsContact CE-OE2 3.31Å; K296-E428 WeakPolarHBondContact CE-OE2 3.3Å; K296-E428 HydrophobicContact CG-CB 4.08Å; K296-E428 HydrophobicContact CG-CG 3.74Å
429	P	98.1	Very high	96.7	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.104	24%	0.236	C	C	.	.			trans	-72.8	135	166.3	33.3	-35.9	0	0	0	110	E293 L431 G447 R448 I468	E293-P429 HydrophobicContact CG-CB 4.34Å; P429-L431 HydrophobicContact CB-CG 4.2Å; P429-G447 VanDerWaalsContact CG-C 3.47Å; P429-G447 WeakPolarHBondContact CG-O 3.49Å; P429-R448 HydrophobicContact CG-CG 3.87Å; P429-I468 HydrophobicContact CB-CG2 4.2Å
430	Q	97.8	Very high	96.6	Very high	49 Å²	49	41.6 Å²	41.6	23%	0.229	24%	0.243	C	C	.	.			trans	-105.8	47.9	177.2	-64.3	-177.5	-8.6	0	0	111.4	S432 K433	Q430-S432 VanDerWaalsContact C-N 3.26Å; Q430-S432 PolarHBondContact O-N 3.44Å; Q430-K433 HydrophobicContact CB-CD 4.16Å; Q430-K433 WeakPolarHBondContact O-CB 3.49Å; Q430-K433 PolarHBondContact O-N 3.48Å; Q430-K433 VanDerWaalsContact O-N 3.11Å
431	L	97.9	Very high	96.6	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.8	-171.1	-69.9	178.5	0	0	0	114.4	T291 P429 K433 V434 L435 L443 G447 V449 I468	T291-L431 WeakPolarHBondContact OG1-CD2 3.49Å; P429-L431 HydrophobicContact CB-CG 4.2Å; L431-K433 PolarHBondContact O-N 2.92Å; L431-V434 PolarHBondContact O-N 3.42Å; L431-L435 HydrophobicContact CB-CD1 3.92Å; L431-L435 HydrophobicContact CD1-CD1 4.46Å; L431-L435 HydrophobicContact CD2-CD1 3.59Å; L431-L435 HydrophobicContact CG-CD1 4.17Å; L431-L435 PolarHBondContact O-N 3.2Å; L431-L443 HydrophobicContact CB-CD1 4.21Å; L431-L443 HydrophobicContact CD1-CD1 4.35Å; L431-L443 HydrophobicContact CD1-CD2 3.52Å; L431-G447 WeakPolarHBondContact CD1-O 3.39Å; L431-V449 HydrophobicContact CD1-CG2 3.39Å; L431-I468 HydrophobicContact CD2-CD1 4.16Å; L431-I468 HydrophobicContact CD2-CG2 4.39Å
432	S	94.6	Very high	96.6	Very high	93 Å²	93	48.2 Å²	48.2	65%	0.65	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.1	172.4	55.5	0	0	0	0	112.8	R263 Q430 V434	R263-S432 PolarHBondContact NH1-O 3.13Å; Q430-S432 VanDerWaalsContact C-N 3.26Å; Q430-S432 PolarHBondContact O-N 3.44Å; S432-V434 VanDerWaalsContact C-N 3.31Å
433	K	96.5	Very high	96.6	Very high	70 Å²	70	51.4 Å²	51.4	30%	0.304	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-76.7	-17.2	175.5	-60.5	-179.2	-178.8	175	0	113	E174 Q430 L431	E174-K433 IonicContact OE1-NZ 3.42Å; E174-K433 PolarHBondContact OE1-NZ 3.17Å; E174-K433 IonicContact OE2-NZ 2.54Å; E174-K433 PolarHBondContact OE2-NZ 2.95Å; Q430-K433 HydrophobicContact CB-CD 4.16Å; Q430-K433 WeakPolarHBondContact O-CB 3.49Å; Q430-K433 PolarHBondContact O-N 3.48Å; Q430-K433 VanDerWaalsContact O-N 3.11Å; L431-K433 PolarHBondContact O-N 2.92Å
434	V	97.1	Very high	96.5	Very high	17 Å²	17	53.6 Å²	53.6	10%	0.103	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-39	-167.2	178.9	0	0	0	0	112.2	I147 R263 L264 L289 T291 L431 S432	I147-V434 HydrophobicContact CG2-CG1 3.97Å; R263-V434 CarbonylContact C-O 3.59Å; R263-V434 WeakPolarHBondContact CA-O 3.26Å; L264-V434 PolarHBondContact N-O 3.43Å; L289-V434 HydrophobicContact CD2-CG1 4.43Å; T291-V434 HydrophobicContact CG2-CG1 3.88Å; T291-V434 HydrophobicContact CG2-CG2 3.99Å; L431-V434 PolarHBondContact O-N 3.42Å; S432-V434 VanDerWaalsContact C-N 3.31Å
435	L	95.4	Very high	96.4	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.073	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-103.8	128.1	-179.6	-74.2	92.8	0	0	0	110.2	L289 L431 V441	L289-L435 HydrophobicContact CD1-CD1 4.03Å; L289-L435 HydrophobicContact CD1-CD2 3.8Å; L289-L435 HydrophobicContact CD1-CG 4.28Å; L289-L435 HydrophobicContact CD2-CD1 4.2Å; L289-L435 HydrophobicContact CD2-CG 4.49Å; L431-L435 HydrophobicContact CB-CD1 3.92Å; L431-L435 HydrophobicContact CD1-CD1 4.46Å; L431-L435 HydrophobicContact CD2-CD1 3.59Å; L431-L435 HydrophobicContact CG-CD1 4.17Å; L431-L435 PolarHBondContact O-N 3.2Å; L435-V441 HydrophobicContact CD2-CB 3.44Å; L435-V441 VanDerWaalsContact CD2-CB 3.44Å; L435-V441 HydrophobicContact CD2-CG1 3.66Å; L435-V441 HydrophobicContact CD2-CG2 3.68Å
436	C	89.2	Confident	96.3	Very high	29 Å²	29	63.9 Å²	63.9	20%	0.196	34%	0.344	C	S	.	.			trans	-72.3	129	164.1	-161	0	0	0	0	108.9	L264 T438 V439	L264-C436 WeakPolarHBondContact O-CB 3.49Å; L264-C436 PolarHBondContact O-N 3.05Å; C436-T438 PolarHBondContact O-N 3.07Å; C436-T438 PolarHBondContact SG-OG1 3.46Å; C436-V439 HydrophobicContact CB-CG2 4.21Å; C436-V439 WeakPolarHBondContact O-CG2 3.35Å; C436-V439 PolarHBondContact O-N 2.87Å
437	E	91.7	Very high	96.4	Very high	182 Å²	182	63.7 Å²	63.7	85%	0.85	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.4	-176.2	-64.1	-179.9	176.7	0	0	112.4	V439 G440	E437-V439 PolarHBondContact O-N 3.04Å; E437-G440 PolarHBondContact O-N 2.83Å
438	T	92.4	Very high	96.4	Very high	118 Å²	118	64 Å²	64	72%	0.724	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-65.9	-13.8	179.6	55.8	0	0	0	0	114.8	C436 G440	C436-T438 PolarHBondContact O-N 3.07Å; C436-T438 PolarHBondContact SG-OG1 3.46Å; T438-G440 VanDerWaalsContact C-N 3.35Å
439	V	96.6	Very high	96.4	Very high	14 Å²	14	60.5 Å²	60.5	9%	0.085	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-75.3	-25.4	-179.6	-176.8	0	0	0	0	111.9	L264 C436 E437 V441 V459	L264-V439 HydrophobicContact CD2-CG1 3.95Å; L264-V439 HydrophobicContact CG-CG1 4.25Å; L264-V439 HydrophobicContact CG-CG2 4.26Å; C436-V439 HydrophobicContact CB-CG2 4.21Å; C436-V439 WeakPolarHBondContact O-CG2 3.35Å; C436-V439 PolarHBondContact O-N 2.87Å; E437-V439 PolarHBondContact O-N 3.04Å; V439-V441 HydrophobicContact CG1-CG2 4.2Å; V439-V459 HydrophobicContact CG1-CG2 4.36Å; V439-V459 VanDerWaalsContact O-CG2 3.31Å; V439-V459 WeakPolarHBondContact O-CG2 3.23Å
440	G	96.7	Very high	96.4	Very high	48 Å²	48	62.1 Å²	62.1	50%	0.495	34%	0.336	S	S	.	.			trans	82.8	23	176.1	0	0	0	0	0	115.5	E437 T438 K442 T458	E437-G440 PolarHBondContact O-N 2.83Å; T438-G440 VanDerWaalsContact C-N 3.35Å; G440-K442 PolarHBondContact O-N 2.9Å; G440-T458 PolarHBondContact O-OG1 2.82Å
441	V	98.3	Very high	96.5	Very high	21 Å²	21	60.8 Å²	60.8	13%	0.127	33%	0.332	C	S	.	.			trans	-77.8	118.1	171.2	176.3	0	0	0	0	109.7	L435 V439 V449 T457 T458 V459 V462	L435-V441 HydrophobicContact CD2-CB 3.44Å; L435-V441 VanDerWaalsContact CD2-CB 3.44Å; L435-V441 HydrophobicContact CD2-CG1 3.66Å; L435-V441 HydrophobicContact CD2-CG2 3.68Å; V439-V441 HydrophobicContact CG1-CG2 4.2Å; V441-V449 HydrophobicContact CG1-CG1 3.69Å; V441-T457 HydrophobicContact CG1-CG2 4.19Å; V441-T458 WeakPolarHBondContact CA-OG1 3.43Å; V441-V459 HydrophobicContact CG2-CB 4.34Å; V441-V459 HydrophobicContact CG2-CG2 3.82Å; V441-V462 HydrophobicContact CG2-CG1 4.26Å
442	K	98.3	Very high	96.5	Very high	124 Å²	124	63.3 Å²	63.3	54%	0.539	35%	0.348	S	S	.	.			trans	-72.8	129.9	-177.5	-177.6	178.2	-179.8	178.5	0	112	G440 V450 T458	G440-K442 PolarHBondContact O-N 2.9Å; K442-V450 HydrophobicContact CD-CB 4.39Å; K442-V450 HydrophobicContact CD-CG2 4.37Å; K442-V450 HydrophobicContact CG-CB 4.32Å; K442-V450 HydrophobicContact CG-CG2 4.14Å; K442-V450 PolarHBondContact O-N 3.19Å; K442-T458 HydrophobicContact CB-CG2 3.52Å; K442-T458 HydrophobicContact CD-CG2 4.23Å; K442-T458 PolarHBondContact N-OG1 2.94Å
443	L	98.3	Very high	96.7	Very high	69 Å²	69	64.1 Å²	64.1	36%	0.361	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-105.8	152	171	-51.9	-174.6	0	0	0	111.3	L431 R448 V449	L431-L443 HydrophobicContact CB-CD1 4.21Å; L431-L443 HydrophobicContact CD1-CD1 4.35Å; L431-L443 HydrophobicContact CD1-CD2 3.52Å; L443-R448 CarbonylContact C-O 3.54Å; L443-R448 WeakPolarHBondContact CA-O 3.41Å; L443-V449 HydrophobicContact CD2-CB 4.45Å; L443-V449 HydrophobicContact CD2-CG2 3.97Å
444	D	98	Very high	96.8	Very high	46 Å²	46	61.7 Å²	61.7	25%	0.246	34%	0.335	C	S	.	.			trans	-81.2	179	170.6	86.4	-15.1	0	0	0	111.6	N446 G447 R448 V450 A470	D444-N446 PolarHBondContact O-N 2.58Å; D444-N446 VanDerWaalsContact O-N 3.07Å; D444-N446 WeakPolarHBondContact OD1-CA 3.28Å; D444-N446 WeakPolarHBondContact OD1-CB 3.48Å; D444-N446 PolarHBondContact OD1-N 2.88Å; D444-N446 PolarHBondContact OD2-ND2 3.02Å; D444-G447 PolarHBondContact O-N 2.9Å; D444-G447 PolarHBondContact OD1-N 2.83Å; D444-G447 VanDerWaalsContact OD1-N 3.08Å; D444-R448 PolarHBondContact N-O 2.92Å; D444-R448 PolarHBondContact OD1-N 3.27Å; D444-V450 HydrophobicContact CB-CG2 4.06Å; D444-A470 HydrophobicContact CB-CB 4.45Å
445	K	97.1	Very high	96.9	Very high	200 Å²	200	60.9 Å²	60.9	87%	0.87	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.8	179.2	66.7	177.7	-178.6	176.9	0	114.7
446	N	95.8	Very high	97	Very high	86 Å²	86	62.5 Å²	62.5	46%	0.46	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.2	-179.9	-50.6	-62	0	0	0	112	D444	D444-N446 PolarHBondContact O-N 2.58Å; D444-N446 VanDerWaalsContact O-N 3.07Å; D444-N446 WeakPolarHBondContact OD1-CA 3.28Å; D444-N446 WeakPolarHBondContact OD1-CB 3.48Å; D444-N446 PolarHBondContact OD1-N 2.88Å; D444-N446 PolarHBondContact OD2-ND2 3.02Å
447	G	97.4	Very high	97.5	Very high	24 Å²	24	61.6 Å²	61.6	25%	0.247	33%	0.331	C	S	.	.	S	Bend	trans	76.4	17	-178.6	0	0	0	0	0	114.7	P429 L431 D444	P429-G447 VanDerWaalsContact CG-C 3.47Å; P429-G447 WeakPolarHBondContact CG-O 3.49Å; L431-G447 WeakPolarHBondContact CD1-O 3.39Å; D444-G447 PolarHBondContact O-N 2.9Å; D444-G447 PolarHBondContact OD1-N 2.83Å; D444-G447 VanDerWaalsContact OD1-N 3.08Å
448	R	98.5	Very high	97.8	Very high	46 Å²	46	56.7 Å²	56.7	17%	0.174	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-90.5	150.8	175	-66.9	-172.3	-176.4	92.6	4.1	111.3	E293 P429 L443 D444 I468 A470	E293-R448 IonicContact OE1-CZ 2.79Å; E293-R448 IonicContact OE1-NE 2.64Å; E293-R448 PolarHBondContact OE1-NE 3.27Å; E293-R448 IonicContact OE1-NH2 2.68Å; E293-R448 PolarHBondContact OE1-NH2 3.08Å; E293-R448 IonicContact OE2-NH2 3.19Å; P429-R448 HydrophobicContact CG-CG 3.87Å; L443-R448 CarbonylContact C-O 3.54Å; L443-R448 WeakPolarHBondContact CA-O 3.41Å; D444-R448 PolarHBondContact N-O 2.92Å; D444-R448 PolarHBondContact OD1-N 3.27Å; R448-I468 CarbonylContact C-O 3.53Å; R448-I468 WeakPolarHBondContact CB-O 3Å; R448-A470 HydrophobicContact CB-CB 3.84Å
449	V	98.7	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-72.6	129.2	178.6	-171.6	0	0	0	0	110.5	L289 L431 V441 L443 T457 A464 I468 A470	L289-V449 HydrophobicContact CD1-CG2 4.39Å; L431-V449 HydrophobicContact CD1-CG2 3.39Å; V441-V449 HydrophobicContact CG1-CG1 3.69Å; L443-V449 HydrophobicContact CD2-CB 4.45Å; L443-V449 HydrophobicContact CD2-CG2 3.97Å; V449-T457 HydrophobicContact CG1-CG2 3.5Å; V449-A464 HydrophobicContact CB-CB 3.75Å; V449-A464 HydrophobicContact CG1-CB 3.76Å; V449-A464 HydrophobicContact CG2-CB 3.91Å; V449-I468 HydrophobicContact CG2-CD1 4.15Å; V449-I468 HydrophobicContact CG2-CG1 4.5Å; V449-I468 PolarHBondContact N-O 3.07Å; V449-A470 WeakPolarHBondContact O-CB 3.12Å; V449-A470 PolarHBondContact O-N 3.26Å
450	V	98.7	Very high	98.1	Very high	49 Å²	49	55.4 Å²	55.4	30%	0.297	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-83.2	117.5	173.4	-178.4	0	0	0	0	108.9	K442 D444	K442-V450 HydrophobicContact CD-CB 4.39Å; K442-V450 HydrophobicContact CD-CG2 4.37Å; K442-V450 HydrophobicContact CG-CB 4.32Å; K442-V450 HydrophobicContact CG-CG2 4.14Å; K442-V450 PolarHBondContact O-N 3.19Å; D444-V450 HydrophobicContact CB-CG2 4.06Å
451	C	98.8	Very high	98.2	Very high	21 Å²	21	53.6 Å²	53.6	14%	0.142	29%	0.288	C	S	.	.			trans	-120.5	156.9	180	-59.3	0	0	0	0	112.7	Q456	C451-Q456 CarbonylContact C-O 3.52Å; C451-Q456 WeakPolarHBondContact CA-O 3.3Å; C451-Q456 WeakPolarHBondContact CB-O 3.15Å
452	T	98.7	Very high	98.3	Very high	58 Å²	58	52.6 Å²	52.6	36%	0.356	28%	0.282	S	S	.	.			trans	-65.4	177	160.3	57.7	0	0	0	0	111.3	D454 E455 Q456	T452-D454 WeakPolarHBondContact CB-OD1 3.37Å; T452-D454 PolarHBondContact O-N 2.72Å; T452-D454 PolarHBondContact OG1-OD1 3.15Å; T452-E455 PolarHBondContact O-N 2.97Å; T452-Q456 HydrophobicContact CG2-CB 4.44Å; T452-Q456 PolarHBondContact N-O 3.11Å; T452-Q456 VanDerWaalsContact OG1-CB 3.29Å; T452-Q456 WeakPolarHBondContact OG1-CB 3.43Å; T452-Q456 PolarHBondContact OG1-N 3.09Å; T452-Q456 PolarHBondContact OG1-O 2.81Å
453	D	98.2	Very high	98.3	Very high	110 Å²	110	47.1 Å²	47.1	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.6	173.5	62.2	-13.1	0	0	0	113.9	L497	D453-L497 HydrophobicContact CB-CD1 4.38Å
454	D	98.5	Very high	98.3	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	21.1	169.6	81.9	-31.8	0	0	0	113.7	K47 T452 Q456 R489 L497	K47-D454 IonicContact NZ-OD2 2.76Å; K47-D454 PolarHBondContact NZ-OD2 3.17Å; K47-D454 VanDerWaalsContact NZ-OD2 3.16Å; T452-D454 WeakPolarHBondContact CB-OD1 3.37Å; T452-D454 PolarHBondContact O-N 2.72Å; T452-D454 PolarHBondContact OG1-OD1 3.15Å; D454-Q456 PolarHBondContact O-N 2.86Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.39Å; D454-R489 VanDerWaalsContact C-NH2 3.27Å; D454-R489 PolarHBondContact O-NH2 2.89Å; D454-L497 HydrophobicContact CB-CD2 3.67Å
455	E	98.8	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	66	8.6	177.9	-68.8	69.2	-127	0	0	115.3	T452 Y463 A464 I465 L486 R489 Y500	T452-E455 PolarHBondContact O-N 2.97Å; E455-Y463 CarbonylContact O-C 3.56Å; E455-Y463 VanDerWaalsContact O-CA 3.25Å; E455-Y463 WeakPolarHBondContact O-CA 3.32Å; E455-Y463 WeakPolarHBondContact O-CB 3.27Å; E455-A464 PolarHBondContact O-N 3.35Å; E455-I465 HydrophobicContact CB-CG2 4.11Å; E455-I465 HydrophobicContact CG-CG2 3.93Å; E455-L486 HydrophobicContact CB-CD2 4.25Å; E455-R489 IonicContact OE2-CZ 3.16Å; E455-R489 IonicContact OE2-NH1 3.23Å; E455-R489 IonicContact OE2-NH2 3.65Å; E455-R489 PolarHBondContact OE2-NH2 2.75Å; E455-Y500 VanDerWaalsContact OE1-CE2 3.22Å; E455-Y500 WeakPolarHBondContact OE1-CE2 3.31Å; E455-Y500 VanDerWaalsContact OE1-CZ 3.31Å; E455-Y500 PolarHBondContact OE1-OH 3.43Å
456	Q	98.8	Very high	98.4	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.9	136.6	-179.8	-167	-178.7	56.7	0	0	111.5	C451 T452 D454 S460 Y463	C451-Q456 CarbonylContact C-O 3.52Å; C451-Q456 WeakPolarHBondContact CA-O 3.3Å; C451-Q456 WeakPolarHBondContact CB-O 3.15Å; T452-Q456 HydrophobicContact CG2-CB 4.44Å; T452-Q456 PolarHBondContact N-O 3.11Å; T452-Q456 VanDerWaalsContact OG1-CB 3.29Å; T452-Q456 WeakPolarHBondContact OG1-CB 3.43Å; T452-Q456 PolarHBondContact OG1-N 3.09Å; T452-Q456 PolarHBondContact OG1-O 2.81Å; D454-Q456 PolarHBondContact O-N 2.86Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.39Å; Q456-S460 PolarHBondContact NE2-O 3.48Å; Q456-Y463 VanDerWaalsContact CA-CD1 3.47Å; Q456-Y463 HydrophobicContact CB-CD1 3.86Å; Q456-Y463 HydrophobicContact CB-CE1 3.63Å; Q456-Y463 HydrophobicContact CG-CD1 4.27Å; Q456-Y463 HydrophobicContact CG-CE1 3.82Å
457	T	98.8	Very high	98.6	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	18%	0.181	C	C	.	.			trans	-84	-175.1	175.5	75.3	0	0	0	0	111.8	V441 V449 V459 V462 A464	V441-T457 HydrophobicContact CG1-CG2 4.19Å; V449-T457 HydrophobicContact CG1-CG2 3.5Å; T457-V459 PolarHBondContact O-N 2.85Å; T457-V459 PolarHBondContact OG1-N 3.42Å; T457-V459 VanDerWaalsContact OG1-N 3.11Å; T457-V459 PolarHBondContact OG1-O 3.19Å; T457-V459 VanDerWaalsContact OG1-O 3.1Å; T457-V462 WeakPolarHBondContact CB-O 3.46Å; T457-V462 HydrophobicContact CG2-CB 4.5Å; T457-V462 HydrophobicContact CG2-CG1 4.1Å; T457-V462 WeakPolarHBondContact CG2-O 3.47Å; T457-V462 PolarHBondContact N-O 2.85Å; T457-V462 PolarHBondContact OG1-O 3.45Å; T457-A464 HydrophobicContact CG2-CB 4.12Å
458	T	98.4	Very high	98.6	Very high	80 Å²	80	29.2 Å²	29.2	49%	0.491	17%	0.17	S	C	.	.	S	Bend	trans	-64.9	-13.7	170.5	49	0	0	0	0	114.2	G440 V441 K442	G440-T458 PolarHBondContact O-OG1 2.82Å; V441-T458 WeakPolarHBondContact CA-OG1 3.43Å; K442-T458 HydrophobicContact CB-CG2 3.52Å; K442-T458 HydrophobicContact CD-CG2 4.23Å; K442-T458 PolarHBondContact N-OG1 2.94Å
459	V	98.6	Very high	98.6	Very high	19 Å²	19	27.1 Å²	27.1	12%	0.115	16%	0.162	C	C	.	.	S	Bend	trans	-103.9	118.5	171.7	-176.8	0	0	0	0	108.2	P267 V439 V441 T457 N461 V462	P267-V459 HydrophobicContact CB-CG1 4.15Å; P267-V459 HydrophobicContact CG-CG1 4.42Å; V439-V459 HydrophobicContact CG1-CG2 4.36Å; V439-V459 VanDerWaalsContact O-CG2 3.31Å; V439-V459 WeakPolarHBondContact O-CG2 3.23Å; V441-V459 HydrophobicContact CG2-CB 4.34Å; V441-V459 HydrophobicContact CG2-CG2 3.82Å; T457-V459 PolarHBondContact O-N 2.85Å; T457-V459 PolarHBondContact OG1-N 3.42Å; T457-V459 VanDerWaalsContact OG1-N 3.11Å; T457-V459 PolarHBondContact OG1-O 3.19Å; T457-V459 VanDerWaalsContact OG1-O 3.1Å; V459-N461 VanDerWaalsContact C-N 3.27Å; V459-N461 WeakPolarHBondContact CG1-OD1 3.45Å; V459-N461 PolarHBondContact O-N 3.34Å; V459-N461 VanDerWaalsContact O-N 3.08Å; V459-V462 HydrophobicContact CB-CB 4.12Å; V459-V462 HydrophobicContact CB-CG2 3.97Å; V459-V462 HydrophobicContact CG1-CB 4.4Å; V459-V462 HydrophobicContact CG1-CG2 3.77Å; V459-V462 PolarHBondContact O-N 3.34Å
460	S	97.9	Very high	98.6	Very high	86 Å²	86	28 Å²	28	60%	0.601	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.5	-161.9	58.2	0	0	0	0	116.2	Q456 Y463	Q456-S460 PolarHBondContact NE2-O 3.48Å; S460-Y463 PolarHBondContact O-OH 2.94Å
461	N	98.6	Very high	98.5	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.053	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.2	175.5	76.6	-61.7	0	0	0	113.5	P267 H268 N285 K286 I287 V459	P267-N461 PolarHBondContact O-ND2 3.43Å; H268-N461 PolarHBondContact CE1-ND2 3.13Å; H268-N461 PolarHBondContact ND1-ND2 2.99Å; N285-N461 PolarHBondContact O-ND2 3.07Å; K286-N461 WeakPolarHBondContact CA-O 3.32Å; K286-N461 HydrophobicContact CD-CB 4.24Å; I287-N461 PolarHBondContact N-O 3.06Å; V459-N461 VanDerWaalsContact C-N 3.27Å; V459-N461 WeakPolarHBondContact CG1-OD1 3.45Å; V459-N461 PolarHBondContact O-N 3.34Å; V459-N461 VanDerWaalsContact O-N 3.08Å
462	V	98.8	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.8	179.3	-175.7	0	0	0	0	109.2	L264 I287 L289 V441 T457 V459	L264-V462 HydrophobicContact CD2-CG1 4.15Å; L264-V462 HydrophobicContact CD2-CG2 4.13Å; I287-V462 HydrophobicContact CB-CG1 4.43Å; I287-V462 HydrophobicContact CB-CG2 4.24Å; I287-V462 HydrophobicContact CG1-CG2 4.47Å; I287-V462 WeakPolarHBondContact O-CA 3.32Å; L289-V462 HydrophobicContact CD1-CG1 3.81Å; L289-V462 HydrophobicContact CG-CG1 4.09Å; V441-V462 HydrophobicContact CG2-CG1 4.26Å; T457-V462 WeakPolarHBondContact CB-O 3.46Å; T457-V462 HydrophobicContact CG2-CB 4.5Å; T457-V462 HydrophobicContact CG2-CG1 4.1Å; T457-V462 WeakPolarHBondContact CG2-O 3.47Å; T457-V462 PolarHBondContact N-O 2.85Å; T457-V462 PolarHBondContact OG1-O 3.45Å; V459-V462 HydrophobicContact CB-CB 4.12Å; V459-V462 HydrophobicContact CB-CG2 3.97Å; V459-V462 HydrophobicContact CG1-CB 4.4Å; V459-V462 HydrophobicContact CG1-CG2 3.77Å; V459-V462 PolarHBondContact O-N 3.34Å
463	Y	98.9	Very high	98.5	Very high	8 Å²	8	30.2 Å²	30.2	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.5	-179.5	-60.2	-99.3	0	0	0	109.5	I287 I288 L289 E455 Q456 S460 L486 L490	I287-Y463 PolarHBondContact O-N 3.06Å; I288-Y463 WeakPolarHBondContact CA-O 3.31Å; L289-Y463 PolarHBondContact N-O 3.3Å; E455-Y463 CarbonylContact O-C 3.56Å; E455-Y463 VanDerWaalsContact O-CA 3.25Å; E455-Y463 WeakPolarHBondContact O-CA 3.32Å; E455-Y463 WeakPolarHBondContact O-CB 3.27Å; Q456-Y463 VanDerWaalsContact CA-CD1 3.47Å; Q456-Y463 HydrophobicContact CB-CD1 3.86Å; Q456-Y463 HydrophobicContact CB-CE1 3.63Å; Q456-Y463 HydrophobicContact CG-CD1 4.27Å; Q456-Y463 HydrophobicContact CG-CE1 3.82Å; S460-Y463 PolarHBondContact O-OH 2.94Å; Y463-L486 HydrophobicContact CD1-CD1 3.54Å; Y463-L486 HydrophobicContact CD1-CD2 4.16Å; Y463-L486 HydrophobicContact CD1-CG 4.49Å; Y463-L486 HydrophobicContact CE1-CD1 3.88Å; Y463-L486 HydrophobicContact CG-CD1 4.09Å; Y463-L486 HydrophobicContact CG-CD2 4.02Å; Y463-L490 HydrophobicContact CD2-CD1 4.41Å; Y463-L490 HydrophobicContact CE1-CD2 4.34Å; Y463-L490 HydrophobicContact CE2-CD1 4.32Å; Y463-L490 HydrophobicContact CE2-CD2 3.96Å
464	A	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.2	173.9	0	0	0	0	0	112.2	L289 V449 E455 T457 I468 N469	L289-A464 HydrophobicContact CB-CB 4Å; L289-A464 HydrophobicContact CD1-CB 4.48Å; L289-A464 WeakPolarHBondContact O-CA 3.47Å; V449-A464 HydrophobicContact CB-CB 3.75Å; V449-A464 HydrophobicContact CG1-CB 3.76Å; V449-A464 HydrophobicContact CG2-CB 3.91Å; E455-A464 PolarHBondContact O-N 3.35Å; T457-A464 HydrophobicContact CG2-CB 4.12Å; A464-I468 HydrophobicContact CB-CD1 4Å; A464-I468 HydrophobicContact CB-CG1 4.23Å; A464-N469 PolarHBondContact O-ND2 3.16Å
465	I	98.9	Very high	98.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	19%	0.191	C	C	.	.			trans	-131.6	159.3	-174.1	66	175.2	0	0	0	111.8	G152 A156 I288 L289 A290 E455 A482 L486	G152-I465 WeakPolarHBondContact O-CD1 3.33Å; A156-I465 HydrophobicContact CB-CD1 3.95Å; I288-I465 HydrophobicContact CG2-CD1 3.73Å; I288-I465 HydrophobicContact CG2-CG1 3.79Å; I288-I465 HydrophobicContact CG2-CG2 4.46Å; L289-I465 PolarHBondContact O-N 2.77Å; A290-I465 HydrophobicContact CB-CD1 4.28Å; A290-I465 HydrophobicContact CB-CG1 3.87Å; E455-I465 HydrophobicContact CB-CG2 4.11Å; E455-I465 HydrophobicContact CG-CG2 3.93Å; I465-A482 HydrophobicContact CB-CB 4.38Å; I465-A482 HydrophobicContact CG2-CB 4.42Å; I465-L486 HydrophobicContact CG2-CD2 3.76Å
466	G	98.6	Very high	98.3	Very high	13 Å²	13	31.4 Å²	31.4	13%	0.134	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	72.6	-152.2	-179.7	0	0	0	0	0	112.9	I468 N469	G466-I468 PolarHBondContact O-N 2.9Å; G466-N469 WeakPolarHBondContact O-CB 3.47Å; G466-N469 PolarHBondContact O-N 2.96Å
467	D	98.5	Very high	98.3	Very high	34 Å²	34	33.7 Å²	33.7	18%	0.182	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.7	-18.7	-166.7	-54.4	-12.4	0	0	0	114.9	E293 Q474	E293-D467 HydrophobicContact CG-CB 3.89Å; D467-Q474 HydrophobicContact CB-CB 4.36Å; D467-Q474 HydrophobicContact CB-CG 4.29Å; D467-Q474 PolarHBondContact O-NE2 2.64Å; D467-Q474 WeakPolarHBondContact OD1-CA 3.2Å
468	I	98.7	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-84.2	-12.7	177.5	68	168.7	0	0	0	113.4	L289 G292 P429 L431 R448 V449 A464 G466 A470	L289-I468 HydrophobicContact CB-CD1 3.6Å; L289-I468 WeakPolarHBondContact O-CD1 3.37Å; G292-I468 WeakPolarHBondContact O-CG2 3.39Å; P429-I468 HydrophobicContact CB-CG2 4.2Å; L431-I468 HydrophobicContact CD2-CD1 4.16Å; L431-I468 HydrophobicContact CD2-CG2 4.39Å; R448-I468 CarbonylContact C-O 3.53Å; R448-I468 WeakPolarHBondContact CB-O 3Å; V449-I468 HydrophobicContact CG2-CD1 4.15Å; V449-I468 HydrophobicContact CG2-CG1 4.5Å; V449-I468 PolarHBondContact N-O 3.07Å; A464-I468 HydrophobicContact CB-CD1 4Å; A464-I468 HydrophobicContact CB-CG1 4.23Å; G466-I468 PolarHBondContact O-N 2.9Å; I468-A470 PolarHBondContact O-N 3.15Å
469	N	98.7	Very high	98.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-80.6	113.2	177.1	-174.6	-33	0	0	0	109.4	A464 G466 G471 K472	A464-N469 PolarHBondContact O-ND2 3.16Å; G466-N469 WeakPolarHBondContact O-CB 3.47Å; G466-N469 PolarHBondContact O-N 2.96Å; N469-G471 PolarHBondContact O-N 3.46Å; N469-K472 HydrophobicContact CB-CG 4.06Å; N469-K472 PolarHBondContact O-N 2.93Å; N469-K472 WeakPolarHBondContact OD1-CG 3.2Å; N469-K472 PolarHBondContact OD1-NZ 2.88Å
470	A	98.5	Very high	98.3	Very high	20 Å²	20	31.6 Å²	31.6	17%	0.165	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	134.7	-169.8	0	0	0	0	0	112.8	D444 R448 V449 I468 K472	D444-A470 HydrophobicContact CB-CB 4.45Å; R448-A470 HydrophobicContact CB-CB 3.84Å; V449-A470 WeakPolarHBondContact O-CB 3.12Å; V449-A470 PolarHBondContact O-N 3.26Å; I468-A470 PolarHBondContact O-N 3.15Å; A470-K472 VanDerWaalsContact C-N 3.26Å; A470-K472 PolarHBondContact O-N 3.03Å; A470-K472 PolarHBondContact O-NZ 2.99Å; A470-K472 VanDerWaalsContact O-NZ 3.12Å
471	G	96.9	Very high	98.4	Very high	81 Å²	81	31 Å²	31	84%	0.835	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	4.9	174.8	0	0	0	0	0	115.6	N469	N469-G471 PolarHBondContact O-N 3.46Å
472	K	98.1	Very high	98.4	Very high	46 Å²	46	30.5 Å²	30.5	20%	0.2	19%	0.19	C	C	.	.	S	Bend	trans	-91.6	149.8	176.2	-51.4	-52.9	-177	-61.5	0	111.1	N469 A470 Q474 Y500	N469-K472 HydrophobicContact CB-CG 4.06Å; N469-K472 PolarHBondContact O-N 2.93Å; N469-K472 WeakPolarHBondContact OD1-CG 3.2Å; N469-K472 PolarHBondContact OD1-NZ 2.88Å; A470-K472 VanDerWaalsContact C-N 3.26Å; A470-K472 PolarHBondContact O-N 3.03Å; A470-K472 PolarHBondContact O-NZ 2.99Å; A470-K472 VanDerWaalsContact O-NZ 3.12Å; K472-Q474 PolarHBondContact O-N 3.14Å; K472-Y500 HydrophobicContact CB-CD1 3.97Å; K472-Y500 HydrophobicContact CB-CE1 3.88Å; K472-Y500 HydrophobicContact CD-CD1 3.78Å; K472-Y500 HydrophobicContact CD-CD2 3.92Å; K472-Y500 HydrophobicContact CD-CE1 3.89Å; K472-Y500 HydrophobicContact CD-CE2 4.05Å; K472-Y500 HydrophobicContact CD-CG 3.78Å; K472-Y500 HydrophobicContact CG-CD1 4.11Å; K472-Y500 HydrophobicContact CG-CE1 3.84Å
473	P	97.7	Very high	98.4	Very high	47 Å²	47	30.5 Å²	30.5	31%	0.305	19%	0.19	S	C	.	.			trans	-60.5	127.4	173.7	-22.5	33.7	0	0	0	112	L475 V478 V503	P473-L475 VanDerWaalsContact C-N 3.34Å; P473-L475 HydrophobicContact CB-CD1 4.05Å; P473-L475 HydrophobicContact CB-CG 4.42Å; P473-L475 PolarHBondContact O-N 2.7Å; P473-V478 HydrophobicContact CB-CG2 4.39Å; P473-V503 HydrophobicContact CB-CG1 4.48Å; P473-V503 HydrophobicContact CG-CB 4.25Å; P473-V503 HydrophobicContact CG-CG2 4.16Å
474	Q	98	Very high	98.4	Very high	70 Å²	70	35.3 Å²	35.3	33%	0.327	21%	0.208	S	C	.	.			trans	-85	70.8	-173	-58.4	-177.1	-53.6	0	0	111.5	E293 D467 K472	E293-Q474 PolarHBondContact OE1-NE2 2.89Å; E293-Q474 PolarHBondContact OE2-NE2 3.35Å; D467-Q474 HydrophobicContact CB-CB 4.36Å; D467-Q474 HydrophobicContact CB-CG 4.29Å; D467-Q474 PolarHBondContact O-NE2 2.64Å; D467-Q474 WeakPolarHBondContact OD1-CA 3.2Å; K472-Q474 PolarHBondContact O-N 3.14Å
475	L	97.5	Very high	98.4	Very high	51 Å²	51	36.8 Å²	36.8	27%	0.267	21%	0.214	S	C	.	.			trans	-133	143.9	-171.8	-58.5	167.1	0	0	0	111.2	P473 V478 A479 V503 T505	P473-L475 VanDerWaalsContact C-N 3.34Å; P473-L475 HydrophobicContact CB-CD1 4.05Å; P473-L475 HydrophobicContact CB-CG 4.42Å; P473-L475 PolarHBondContact O-N 2.7Å; L475-V478 HydrophobicContact CB-CB 4.33Å; L475-V478 HydrophobicContact CB-CG2 4.04Å; L475-V478 HydrophobicContact CD1-CG2 4.36Å; L475-V478 WeakPolarHBondContact O-CB 3.41Å; L475-V478 PolarHBondContact O-N 2.68Å; L475-V478 VanDerWaalsContact O-N 3.16Å; L475-A479 PolarHBondContact O-N 2.92Å; L475-V503 HydrophobicContact CD1-CG1 3.62Å; L475-T505 HydrophobicContact CD1-CG2 3.57Å; L475-T505 HydrophobicContact CD2-CG2 4.25Å; L475-T505 HydrophobicContact CG-CG2 4.5Å
476	T	97.7	Very high	98.4	Very high	34 Å²	34	36.7 Å²	36.7	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-56.7	-47.9	179	-80.4	0	0	0	0	114	S151 C188 V478 A479 I480	S151-T476 WeakPolarHBondContact OG-CG2 3.45Å; S151-T476 PolarHBondContact OG-OG1 2.96Å; C188-T476 WeakPolarHBondContact CB-OG1 3.38Å; C188-T476 PolarHBondContact SG-OG1 2.82Å; T476-V478 VanDerWaalsContact C-N 3.26Å; T476-V478 PolarHBondContact O-N 3.25Å; T476-A479 PolarHBondContact O-N 2.94Å; T476-I480 HydrophobicContact CG2-CD1 3.61Å; T476-I480 HydrophobicContact CG2-CG1 4.34Å; T476-I480 WeakPolarHBondContact O-CG1 3.38Å; T476-I480 PolarHBondContact O-N 2.78Å
477	P	98.4	Very high	98.4	Very high	96 Å²	96	36.1 Å²	36.1	62%	0.623	21%	0.207	S	C	*	.	H	α-helix	trans	-60.1	-36.3	177.8	-25.9	36.3	0	0	0	112.9	I480 Q481	P477-I480 PolarHBondContact O-N 2.81Å; P477-Q481 WeakPolarHBondContact O-CB 3.3Å; P477-Q481 PolarHBondContact O-N 3.14Å
478	V	98.6	Very high	98.4	Very high	13 Å²	13	38.1 Å²	38.1	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-48.4	175.4	175.5	0	0	0	0	110.5	P473 L475 T476 I480 Q481 A482 Y500 V503	P473-V478 HydrophobicContact CB-CG2 4.39Å; L475-V478 HydrophobicContact CB-CB 4.33Å; L475-V478 HydrophobicContact CB-CG2 4.04Å; L475-V478 HydrophobicContact CD1-CG2 4.36Å; L475-V478 WeakPolarHBondContact O-CB 3.41Å; L475-V478 PolarHBondContact O-N 2.68Å; L475-V478 VanDerWaalsContact O-N 3.16Å; T476-V478 VanDerWaalsContact C-N 3.26Å; T476-V478 PolarHBondContact O-N 3.25Å; V478-I480 VanDerWaalsContact C-N 3.32Å; V478-I480 PolarHBondContact O-N 2.96Å; V478-Q481 PolarHBondContact O-N 3.34Å; V478-A482 VanDerWaalsContact O-CB 3.3Å; V478-A482 WeakPolarHBondContact O-CB 3.49Å; V478-A482 PolarHBondContact O-N 3.48Å; V478-Y500 HydrophobicContact CG1-CD1 3.69Å; V478-Y500 HydrophobicContact CG1-CE1 3.45Å; V478-Y500 VanDerWaalsContact CG1-CE1 3.45Å; V478-V503 HydrophobicContact CG2-CG1 3.64Å; V478-V503 HydrophobicContact CG2-CG2 4.16Å
479	A	98.7	Very high	98.4	Very high	5 Å²	5	39 Å²	39	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-40.4	177.5	0	0	0	0	0	112.4	G152 L475 T476 G483	G152-A479 VanDerWaalsContact CA-O 3.27Å; G152-A479 WeakPolarHBondContact CA-O 3.39Å; L475-A479 PolarHBondContact O-N 2.92Å; T476-A479 PolarHBondContact O-N 2.94Å; A479-G483 PolarHBondContact O-N 3.06Å
480	I	98.7	Very high	98.4	Very high	45 Å²	45	39.2 Å²	39.2	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-47.2	177.2	-69.9	169	0	0	0	111	A155 T476 P477 V478 G483 R484	A155-I480 HydrophobicContact CB-CB 4.17Å; A155-I480 HydrophobicContact CB-CG1 4.15Å; A155-I480 HydrophobicContact CB-CG2 3.95Å; T476-I480 HydrophobicContact CG2-CD1 3.61Å; T476-I480 HydrophobicContact CG2-CG1 4.34Å; T476-I480 WeakPolarHBondContact O-CG1 3.38Å; T476-I480 PolarHBondContact O-N 2.78Å; P477-I480 PolarHBondContact O-N 2.81Å; V478-I480 VanDerWaalsContact C-N 3.32Å; V478-I480 PolarHBondContact O-N 2.96Å; I480-G483 PolarHBondContact O-N 3.45Å; I480-R484 WeakPolarHBondContact O-CB 3.34Å; I480-R484 WeakPolarHBondContact O-CG 3.39Å; I480-R484 PolarHBondContact O-N 3Å
481	Q	98.7	Very high	98.4	Very high	74 Å²	74	38.2 Å²	38.2	35%	0.346	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-49.2	-180	-170.4	80.4	-37.5	0	0	110.6	P477 V478 G483 R484 Y485 T498	P477-Q481 WeakPolarHBondContact O-CB 3.3Å; P477-Q481 PolarHBondContact O-N 3.14Å; V478-Q481 PolarHBondContact O-N 3.34Å; Q481-G483 VanDerWaalsContact C-N 3.34Å; Q481-G483 PolarHBondContact O-N 2.85Å; Q481-R484 PolarHBondContact O-N 3.27Å; Q481-Y485 HydrophobicContact CG-CD1 4.29Å; Q481-Y485 HydrophobicContact CG-CE1 4.25Å; Q481-Y485 HydrophobicContact CG-CG 4.49Å; Q481-Y485 PolarHBondContact NE2-OH 3.1Å; Q481-Y485 WeakPolarHBondContact O-CB 3.41Å; Q481-Y485 PolarHBondContact O-N 3.33Å; Q481-T498 HydrophobicContact CB-CG2 4.47Å; Q481-T498 HydrophobicContact CG-CG2 4.16Å
482	A	98.8	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.4	-48.1	175.9	0	0	0	0	0	111.7	I465 V478 L486 T498 Y500	I465-A482 HydrophobicContact CB-CB 4.38Å; I465-A482 HydrophobicContact CG2-CB 4.42Å; V478-A482 VanDerWaalsContact O-CB 3.3Å; V478-A482 WeakPolarHBondContact O-CB 3.49Å; V478-A482 PolarHBondContact O-N 3.48Å; A482-L486 WeakPolarHBondContact O-CB 3.12Å; A482-L486 PolarHBondContact O-N 2.97Å; A482-T498 WeakPolarHBondContact CA-OG1 3.35Å; A482-Y500 WeakPolarHBondContact CB-OH 3.36Å
483	G	98.8	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.2	0	0	0	0	0	113.6	A156 A479 I480 Q481 A487	A156-G483 WeakPolarHBondContact CA-O 3.45Å; A479-G483 PolarHBondContact O-N 3.06Å; I480-G483 PolarHBondContact O-N 3.45Å; Q481-G483 VanDerWaalsContact C-N 3.34Å; Q481-G483 PolarHBondContact O-N 2.85Å; G483-A487 WeakPolarHBondContact O-CB 3.46Å; G483-A487 PolarHBondContact O-N 3.18Å; G483-A487 VanDerWaalsContact O-N 3.07Å
484	R	98.9	Very high	98.5	Very high	108 Å²	108	32.9 Å²	32.9	41%	0.408	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-47.4	178.4	-75.5	176.3	175.5	165.5	-0.9	111.9	A155 E159 I480 Q481 A487 R488	A155-R484 HydrophobicContact CB-CG 4.27Å; E159-R484 HydrophobicContact CB-CG 4.23Å; E159-R484 HydrophobicContact CG-CB 4.3Å; E159-R484 HydrophobicContact CG-CG 4.34Å; I480-R484 WeakPolarHBondContact O-CB 3.34Å; I480-R484 WeakPolarHBondContact O-CG 3.39Å; I480-R484 PolarHBondContact O-N 3Å; Q481-R484 PolarHBondContact O-N 3.27Å; R484-A487 PolarHBondContact O-N 3.08Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 3.4Å
485	Y	98.8	Very high	98.5	Very high	31 Å²	31	34.5 Å²	34.5	12%	0.122	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-43.2	-176.5	-81.3	29.8	0	0	0	110.5	Q481 A487 R488 R489 E496 L497	Q481-Y485 HydrophobicContact CG-CD1 4.29Å; Q481-Y485 HydrophobicContact CG-CE1 4.25Å; Q481-Y485 HydrophobicContact CG-CG 4.49Å; Q481-Y485 PolarHBondContact NE2-OH 3.1Å; Q481-Y485 WeakPolarHBondContact O-CB 3.41Å; Q481-Y485 PolarHBondContact O-N 3.33Å; Y485-A487 PolarHBondContact O-N 3.16Å; Y485-R488 WeakPolarHBondContact O-CB 3.3Å; Y485-R488 PolarHBondContact O-N 3.22Å; Y485-R489 WeakPolarHBondContact O-CG 3.4Å; Y485-R489 PolarHBondContact O-N 3.26Å; Y485-E496 HydrophobicContact CD2-CB 4.33Å; Y485-E496 HydrophobicContact CD2-CG 4.09Å; Y485-E496 HydrophobicContact CE2-CB 4.23Å; Y485-E496 HydrophobicContact CE2-CG 3.59Å; Y485-E496 VanDerWaalsContact CE2-OE1 3.23Å; Y485-E496 WeakPolarHBondContact CE2-OE1 3.5Å; Y485-E496 PolarHBondContact OH-OE1 3.22Å; Y485-L497 WeakPolarHBondContact CD2-O 3.36Å
486	L	98.9	Very high	98.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-47.2	173.7	177.3	60.5	0	0	0	111.9	I288 E455 Y463 I465 A482 R488 R489 L490	I288-L486 HydrophobicContact CD1-CD2 3.72Å; I288-L486 HydrophobicContact CD1-CG 4.34Å; I288-L486 HydrophobicContact CG1-CD2 3.97Å; E455-L486 HydrophobicContact CB-CD2 4.25Å; Y463-L486 HydrophobicContact CD1-CD1 3.54Å; Y463-L486 HydrophobicContact CD1-CD2 4.16Å; Y463-L486 HydrophobicContact CD1-CG 4.49Å; Y463-L486 HydrophobicContact CE1-CD1 3.88Å; Y463-L486 HydrophobicContact CG-CD1 4.09Å; Y463-L486 HydrophobicContact CG-CD2 4.02Å; I465-L486 HydrophobicContact CG2-CD2 3.76Å; A482-L486 WeakPolarHBondContact O-CB 3.12Å; A482-L486 PolarHBondContact O-N 2.97Å; L486-R488 VanDerWaalsContact C-N 3.3Å; L486-R488 PolarHBondContact O-N 3.26Å; L486-R489 PolarHBondContact O-N 2.91Å; L486-R489 VanDerWaalsContact O-N 3.16Å; L486-L490 HydrophobicContact CD1-CD1 3.9Å; L486-L490 HydrophobicContact CD1-CD2 4.48Å; L486-L490 HydrophobicContact CD1-CG 3.94Å; L486-L490 HydrophobicContact CG-CD1 3.96Å; L486-L490 HydrophobicContact CG-CG 4.37Å; L486-L490 WeakPolarHBondContact O-CG 3.02Å; L486-L490 PolarHBondContact O-N 3.44Å
487	A	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-40.7	177.8	0	0	0	0	0	112.5	E159 A160 G483 R484 Y485 L490 F491	E159-A487 HydrophobicContact CB-CB 3.95Å; E159-A487 HydrophobicContact CG-CB 4.15Å; A160-A487 HydrophobicContact CB-CB 4.01Å; G483-A487 WeakPolarHBondContact O-CB 3.46Å; G483-A487 PolarHBondContact O-N 3.18Å; G483-A487 VanDerWaalsContact O-N 3.07Å; R484-A487 PolarHBondContact O-N 3.08Å; Y485-A487 PolarHBondContact O-N 3.16Å; A487-L490 PolarHBondContact O-N 3.07Å; A487-F491 WeakPolarHBondContact O-CD2 3.28Å; A487-F491 PolarHBondContact O-N 2.89Å
488	R	98.8	Very high	98.6	Very high	76 Å²	76	34.9 Å²	34.9	29%	0.287	18%	0.177	S	C	.	.	H	α-helix	trans	-65	-41.4	175.1	-68.5	171.1	-176	176.8	0.8	112.5	E159 Y163 R484 Y485 L486 A492 G493 A494	E159-R488 HydrophobicContact CG-CG 4.2Å; E159-R488 IonicContact OE1-CZ 2.91Å; E159-R488 VanDerWaalsContact OE1-CZ 3.29Å; E159-R488 IonicContact OE1-NE 3.53Å; E159-R488 PolarHBondContact OE1-NE 3.36Å; E159-R488 IonicContact OE1-NH2 2.81Å; E159-R488 PolarHBondContact OE1-NH2 3.22Å; Y163-R488 HydrophobicContact CE2-CG 3.88Å; Y163-R488 WeakPolarHBondContact OH-CG 3.3Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 3.4Å; Y485-R488 WeakPolarHBondContact O-CB 3.3Å; Y485-R488 PolarHBondContact O-N 3.22Å; L486-R488 VanDerWaalsContact C-N 3.3Å; L486-R488 PolarHBondContact O-N 3.26Å; R488-A492 CarbonylContact O-C 3.53Å; R488-A492 VanDerWaalsContact O-CA 3.24Å; R488-A492 WeakPolarHBondContact O-CA 3.49Å; R488-A492 VanDerWaalsContact O-CB 3.32Å; R488-A492 WeakPolarHBondContact O-CB 3.44Å; R488-A492 PolarHBondContact O-N 2.8Å; R488-G493 PolarHBondContact O-N 3.17Å; R488-G493 VanDerWaalsContact O-N 3.17Å; R488-A494 HydrophobicContact CB-CB 3.68Å; R488-A494 PolarHBondContact O-N 2.8Å
489	R	98.7	Very high	98.6	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-43.2	176.8	-64.7	-163	-60.4	-85.3	0.6	111.5	D454 E455 Y485 L486 A494 E496	D454-R489 VanDerWaalsContact C-NH2 3.27Å; D454-R489 PolarHBondContact O-NH2 2.89Å; E455-R489 IonicContact OE2-CZ 3.16Å; E455-R489 IonicContact OE2-NH1 3.23Å; E455-R489 IonicContact OE2-NH2 3.65Å; E455-R489 PolarHBondContact OE2-NH2 2.75Å; Y485-R489 WeakPolarHBondContact O-CG 3.4Å; Y485-R489 PolarHBondContact O-N 3.26Å; L486-R489 PolarHBondContact O-N 2.91Å; L486-R489 VanDerWaalsContact O-N 3.16Å; R489-A494 WeakPolarHBondContact CA-O 3.11Å; R489-A494 HydrophobicContact CG-CB 4.42Å; R489-A494 WeakPolarHBondContact CG-O 3.37Å; R489-E496 WeakPolarHBondContact CD-O 3.49Å; R489-E496 PolarHBondContact NH1-O 2.82Å; R489-E496 VanDerWaalsContact NH1-O 3.08Å
490	L	98.6	Very high	98.5	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-70.7	-40.4	-178.2	-69	178	0	0	0	113.3	S51 Y463 L486 A487	S51-L490 CarbonylContact C-O 3.48Å; S51-L490 VanDerWaalsContact CB-O 3.26Å; S51-L490 WeakPolarHBondContact CB-O 3.33Å; S51-L490 PolarHBondContact OG-O 3.36Å; Y463-L490 HydrophobicContact CD2-CD1 4.41Å; Y463-L490 HydrophobicContact CE1-CD2 4.34Å; Y463-L490 HydrophobicContact CE2-CD1 4.32Å; Y463-L490 HydrophobicContact CE2-CD2 3.96Å; L486-L490 HydrophobicContact CD1-CD1 3.9Å; L486-L490 HydrophobicContact CD1-CD2 4.48Å; L486-L490 HydrophobicContact CD1-CG 3.94Å; L486-L490 HydrophobicContact CG-CD1 3.96Å; L486-L490 HydrophobicContact CG-CG 4.37Å; L486-L490 WeakPolarHBondContact O-CG 3.02Å; L486-L490 PolarHBondContact O-N 3.44Å; A487-L490 PolarHBondContact O-N 3.07Å
491	F	98.8	Very high	98.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-120.5	-9.6	-167.1	-55.3	-64.5	0	0	0	115.1	A53 A80 D143 L144 A160 Y163 A165 K286 A487	A53-F491 HydrophobicContact CB-CD1 4.43Å; A80-F491 VanDerWaalsContact CB-O 3.26Å; A80-F491 WeakPolarHBondContact CB-O 3.27Å; D143-F491 HydrophobicContact CB-CE1 4.22Å; L144-F491 HydrophobicContact CB-CE2 4.21Å; L144-F491 HydrophobicContact CB-CZ 3.94Å; L144-F491 HydrophobicContact CD2-CE2 4.1Å; A160-F491 HydrophobicContact CB-CD2 3.6Å; A160-F491 HydrophobicContact CB-CE2 3.71Å; Y163-F491 HydrophobicContact CD2-CB 4.29Å; Y163-F491 HydrophobicContact CG-CB 4.5Å; A165-F491 HydrophobicContact CB-CD1 3.76Å; A165-F491 HydrophobicContact CB-CD2 4Å; A165-F491 HydrophobicContact CB-CE1 3.9Å; A165-F491 HydrophobicContact CB-CE2 4.14Å; A165-F491 HydrophobicContact CB-CG 3.81Å; A165-F491 HydrophobicContact CB-CZ 4.09Å; K286-F491 HydrophobicContact CG-CZ 4.31Å; A487-F491 WeakPolarHBondContact O-CD2 3.28Å; A487-F491 PolarHBondContact O-N 2.89Å
492	A	98.4	Very high	98.4	Very high	19 Å²	19	40.2 Å²	40.2	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-124.6	5.6	-179.9	0	0	0	0	0	114.5	A80 Y163 R488 A494	A80-A492 HydrophobicContact CB-CB 4.01Å; Y163-A492 HydrophobicContact CD1-CB 3.77Å; Y163-A492 HydrophobicContact CD2-CB 3.92Å; Y163-A492 HydrophobicContact CE1-CB 3.69Å; Y163-A492 HydrophobicContact CE2-CB 3.84Å; Y163-A492 HydrophobicContact CG-CB 3.89Å; R488-A492 CarbonylContact O-C 3.53Å; R488-A492 VanDerWaalsContact O-CA 3.24Å; R488-A492 WeakPolarHBondContact O-CA 3.49Å; R488-A492 VanDerWaalsContact O-CB 3.32Å; R488-A492 WeakPolarHBondContact O-CB 3.44Å; R488-A492 PolarHBondContact O-N 2.8Å; A492-A494 PolarHBondContact O-N 2.94Å
493	G	97.5	Very high	98.4	Very high	6 Å²	6	42.2 Å²	42.2	6%	0.062	22%	0.221	C	C	.	.			trans	69.2	16.3	178.7	0	0	0	0	0	114.4	W44 R488	W44-G493 VanDerWaalsContact CZ2-O 3.3Å; W44-G493 WeakPolarHBondContact CZ2-O 3.31Å; W44-G493 PolarHBondContact NE1-O 2.93Å; R488-G493 PolarHBondContact O-N 3.17Å; R488-G493 VanDerWaalsContact O-N 3.17Å
494	A	98.1	Very high	98.4	Very high	37 Å²	37	43.6 Å²	43.6	31%	0.306	23%	0.233	S	C	.	.			trans	-65.8	156	175.9	0	0	0	0	0	111.5	R488 R489 A492	R488-A494 HydrophobicContact CB-CB 3.68Å; R488-A494 PolarHBondContact O-N 2.8Å; R489-A494 WeakPolarHBondContact CA-O 3.11Å; R489-A494 HydrophobicContact CG-CB 4.42Å; R489-A494 WeakPolarHBondContact CG-O 3.37Å; A492-A494 PolarHBondContact O-N 2.94Å
495	T	97.5	Very high	98.4	Very high	104 Å²	104	40.1 Å²	40.1	64%	0.638	22%	0.223	S	C	*	.			trans	-113.5	-13.8	177.1	55	0	0	0	0	113.2	W44 L497	W44-T495 VanDerWaalsContact CD1-CG2 3.48Å; T495-L497 PolarHBondContact O-N 3.32Å
496	E	98.3	Very high	98.4	Very high	109 Å²	109	40.1 Å²	40.1	51%	0.509	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-65.3	125.8	-174.4	-159.7	-178.7	168.1	0	0	111.7	Y485 R489	Y485-E496 HydrophobicContact CD2-CB 4.33Å; Y485-E496 HydrophobicContact CD2-CG 4.09Å; Y485-E496 HydrophobicContact CE2-CB 4.23Å; Y485-E496 HydrophobicContact CE2-CG 3.59Å; Y485-E496 VanDerWaalsContact CE2-OE1 3.23Å; Y485-E496 WeakPolarHBondContact CE2-OE1 3.5Å; Y485-E496 PolarHBondContact OH-OE1 3.22Å; R489-E496 WeakPolarHBondContact CD-O 3.49Å; R489-E496 PolarHBondContact NH1-O 2.82Å; R489-E496 VanDerWaalsContact NH1-O 3.08Å
497	L	98.7	Very high	98.4	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.346	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-91.4	159.3	174.8	-58.7	-176.1	0	0	0	110.4	D453 D454 Y485 T495 D499	D453-L497 HydrophobicContact CB-CD1 4.38Å; D454-L497 HydrophobicContact CB-CD2 3.67Å; Y485-L497 WeakPolarHBondContact CD2-O 3.36Å; T495-L497 PolarHBondContact O-N 3.32Å; L497-D499 PolarHBondContact O-N 3.24Å
498	T	98.7	Very high	98.4	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.08	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-76.5	124.9	171.2	-67.1	0	0	0	0	109.5	Q481 A482 Y500	Q481-T498 HydrophobicContact CB-CG2 4.47Å; Q481-T498 HydrophobicContact CG-CG2 4.16Å; A482-T498 WeakPolarHBondContact CA-OG1 3.35Å; T498-Y500 HydrophobicContact CG2-CD1 4.2Å; T498-Y500 HydrophobicContact CG2-CD2 4.17Å; T498-Y500 HydrophobicContact CG2-CE1 3.85Å; T498-Y500 HydrophobicContact CG2-CE2 3.79Å; T498-Y500 HydrophobicContact CG2-CG 4.37Å; T498-Y500 WeakPolarHBondContact O-CD2 3.5Å; T498-Y500 WeakPolarHBondContact O-CE2 3.36Å; T498-Y500 PolarHBondContact O-N 3.25Å
499	D	98.5	Very high	98.4	Very high	89 Å²	89	38.2 Å²	38.2	48%	0.476	22%	0.221	S	C	.	.			trans	-85.8	110.1	174	-174.3	-11.1	0	0	0	110.1	L497 S501 K590	L497-D499 PolarHBondContact O-N 3.24Å; D499-S501 WeakPolarHBondContact OD1-CB 3.4Å; D499-S501 PolarHBondContact OD1-N 3.22Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 PolarHBondContact OD2-OG 2.87Å; D499-K590 IonicContact OD1-NZ 3.47Å; D499-K590 PolarHBondContact OD1-NZ 3.39Å; D499-K590 WeakPolarHBondContact OD2-CD 3.42Å; D499-K590 WeakPolarHBondContact OD2-CE 3.49Å; D499-K590 IonicContact OD2-NZ 2.75Å; D499-K590 PolarHBondContact OD2-NZ 3.38Å
500	Y	98.3	Very high	98.4	Very high	42 Å²	42	38 Å²	38	17%	0.165	22%	0.222	C	C	.	.			trans	-91.2	1.7	-179.9	-63.4	-85.5	0	0	0	113.7	E455 K472 V478 A482 T498 V503	E455-Y500 VanDerWaalsContact OE1-CE2 3.22Å; E455-Y500 WeakPolarHBondContact OE1-CE2 3.31Å; E455-Y500 VanDerWaalsContact OE1-CZ 3.31Å; E455-Y500 PolarHBondContact OE1-OH 3.43Å; K472-Y500 HydrophobicContact CB-CD1 3.97Å; K472-Y500 HydrophobicContact CB-CE1 3.88Å; K472-Y500 HydrophobicContact CD-CD1 3.78Å; K472-Y500 HydrophobicContact CD-CD2 3.92Å; K472-Y500 HydrophobicContact CD-CE1 3.89Å; K472-Y500 HydrophobicContact CD-CE2 4.05Å; K472-Y500 HydrophobicContact CD-CG 3.78Å; K472-Y500 HydrophobicContact CG-CD1 4.11Å; K472-Y500 HydrophobicContact CG-CE1 3.84Å; V478-Y500 HydrophobicContact CG1-CD1 3.69Å; V478-Y500 HydrophobicContact CG1-CE1 3.45Å; V478-Y500 VanDerWaalsContact CG1-CE1 3.45Å; A482-Y500 WeakPolarHBondContact CB-OH 3.36Å; T498-Y500 HydrophobicContact CG2-CD1 4.2Å; T498-Y500 HydrophobicContact CG2-CD2 4.17Å; T498-Y500 HydrophobicContact CG2-CE1 3.85Å; T498-Y500 HydrophobicContact CG2-CE2 3.79Å; T498-Y500 HydrophobicContact CG2-CG 4.37Å; T498-Y500 WeakPolarHBondContact O-CD2 3.5Å; T498-Y500 WeakPolarHBondContact O-CE2 3.36Å; T498-Y500 PolarHBondContact O-N 3.25Å; Y500-V503 WeakPolarHBondContact O-CG2 3.47Å
501	S	97.7	Very high	98.4	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	147.7	176.9	68.9	0	0	0	0	111.4	D499 V503 K590	D499-S501 WeakPolarHBondContact OD1-CB 3.4Å; D499-S501 PolarHBondContact OD1-N 3.22Å; D499-S501 PolarHBondContact OD1-OG 2.83Å; D499-S501 PolarHBondContact OD2-OG 2.87Å; S501-V503 PolarHBondContact O-N 3.39Å; S501-V503 VanDerWaalsContact O-N 3.13Å; S501-K590 PolarHBondContact O-NZ 2.94Å; S501-K590 PolarHBondContact OG-NZ 3.22Å
502	N	97.7	Very high	98.4	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.7	174.4	-55.7	-26.9	0	0	0	114.2	A504 C516 I589	N502-A504 PolarHBondContact O-N 2.78Å; N502-C516 PolarHBondContact O-SG 3.08Å; N502-I589 HydrophobicContact CB-CG2 4.03Å
503	V	98.5	Very high	98.4	Very high	43 Å²	43	37.6 Å²	37.6	26%	0.261	22%	0.217	S	C	.	.			trans	-68	120	175.1	178.7	0	0	0	0	108.8	P473 L475 V478 Y500 S501	P473-V503 HydrophobicContact CB-CG1 4.48Å; P473-V503 HydrophobicContact CG-CB 4.25Å; P473-V503 HydrophobicContact CG-CG2 4.16Å; L475-V503 HydrophobicContact CD1-CG1 3.62Å; V478-V503 HydrophobicContact CG2-CG1 3.64Å; V478-V503 HydrophobicContact CG2-CG2 4.16Å; Y500-V503 WeakPolarHBondContact O-CG2 3.47Å; S501-V503 PolarHBondContact O-N 3.39Å; S501-V503 VanDerWaalsContact O-N 3.13Å
504	A	98.7	Very high	98.5	Very high	29 Å²	29	37.3 Å²	37.3	24%	0.24	21%	0.214	C	C	.	.			trans	-70.8	147.7	176.4	0	0	0	0	0	111.8	N502 A515 C516 T582 A586	N502-A504 PolarHBondContact O-N 2.78Å; A504-A515 CarbonylContact C-O 3.55Å; A504-A515 VanDerWaalsContact CA-O 3.29Å; A504-A515 WeakPolarHBondContact CA-O 3.32Å; A504-C516 HydrophobicContact CB-CB 4.01Å; A504-T582 HydrophobicContact CB-CG2 4Å; A504-A586 HydrophobicContact CB-CB 3.96Å
505	T	98.5	Very high	98.5	Very high	34 Å²	34	35.9 Å²	35.9	21%	0.209	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.8	177.5	51.9	0	0	0	0	110.7	L475 G514 A515	L475-T505 HydrophobicContact CD1-CG2 3.57Å; L475-T505 HydrophobicContact CD2-CG2 4.25Å; L475-T505 HydrophobicContact CG-CG2 4.5Å; T505-G514 CarbonylContact O-C 3.57Å; T505-G514 WeakPolarHBondContact O-CA 3.46Å; T505-A515 PolarHBondContact N-O 3Å; T505-A515 PolarHBondContact O-N 3.29Å
506	T	98.8	Very high	98.6	Very high	32 Å²	32	31 Å²	31	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.1	168.2	-55.1	0	0	0	0	109.7	F508 E512 Y513 A578 G579	T506-F508 HydrophobicContact CG2-CD1 4.29Å; T506-F508 HydrophobicContact CG2-CD2 4.47Å; T506-F508 HydrophobicContact CG2-CE1 3.96Å; T506-F508 HydrophobicContact CG2-CE2 4.2Å; T506-F508 HydrophobicContact CG2-CZ 3.94Å; T506-F508 WeakPolarHBondContact O-CD2 3.35Å; T506-F508 WeakPolarHBondContact O-CE2 3.41Å; T506-E512 HydrophobicContact CG2-CB 4.31Å; T506-Y513 CarbonylContact C-O 3.38Å; T506-Y513 VanDerWaalsContact CA-O 3.25Å; T506-Y513 WeakPolarHBondContact CA-O 3.5Å; T506-A578 HydrophobicContact CG2-CB 4.21Å; T506-G579 WeakPolarHBondContact OG1-CA 3.33Å
507	V	98.8	Very high	98.6	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.4	169.9	-178.8	0	0	0	0	107.5	E334 F358 T509 E512 Y513	E334-V507 HydrophobicContact CG-CG1 4.12Å; F358-V507 HydrophobicContact CD1-CG2 4.46Å; F358-V507 HydrophobicContact CE1-CG2 3.84Å; F358-V507 HydrophobicContact CZ-CG2 4.05Å; V507-T509 HydrophobicContact CG1-CG2 3.87Å; V507-T509 PolarHBondContact O-N 3.13Å; V507-T509 VanDerWaalsContact O-N 3.14Å; V507-E512 WeakPolarHBondContact O-CA 3.42Å; V507-Y513 HydrophobicContact CG2-CD1 4.34Å; V507-Y513 PolarHBondContact N-O 3.35Å; V507-Y513 PolarHBondContact O-N 2.87Å
508	F	98.8	Very high	98.6	Very high	33 Å²	33	25.7 Å²	25.7	15%	0.145	16%	0.155	C	C	.	.			trans	-90.7	54.7	-174.9	-64.8	-85.7	0	0	0	111	K196 K197 H200 E334 T506 E512	K196-F508 HydrophobicContact CD-CB 3.96Å; K197-F508 HydrophobicContact CD-CD1 4.45Å; K197-F508 HydrophobicContact CD-CE1 4.03Å; K197-F508 HydrophobicContact CD-CZ 4.24Å; K197-F508 HydrophobicContact CG-CD1 4.41Å; K197-F508 HydrophobicContact CG-CE1 4.48Å; H200-F508 PolarHBondContact ND1-O 3.23Å; E334-F508 HydrophobicContact CG-CB 4.43Å; E334-F508 PolarHBondContact OE1-N 3.48Å; T506-F508 HydrophobicContact CG2-CD1 4.29Å; T506-F508 HydrophobicContact CG2-CD2 4.47Å; T506-F508 HydrophobicContact CG2-CE1 3.96Å; T506-F508 HydrophobicContact CG2-CE2 4.2Å; T506-F508 HydrophobicContact CG2-CZ 3.94Å; T506-F508 WeakPolarHBondContact O-CD2 3.35Å; T506-F508 WeakPolarHBondContact O-CE2 3.41Å; F508-E512 HydrophobicContact CD1-CG 4.34Å
509	T	98.8	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	15%	0.154	C	C	.	.	S	Bend	trans	-72	168.3	166.9	36.4	0	0	0	0	110.5	H200 L333 V366 M370 V507 L511 E512	H200-T509 PolarHBondContact CE1-O 3.07Å; L333-T509 HydrophobicContact CB-CG2 3.71Å; V366-T509 HydrophobicContact CG1-CG2 3.72Å; M370-T509 HydrophobicContact SD-CG2 3.8Å; V507-T509 HydrophobicContact CG1-CG2 3.87Å; V507-T509 PolarHBondContact O-N 3.13Å; V507-T509 VanDerWaalsContact O-N 3.14Å; T509-L511 WeakPolarHBondContact CB-O 3.36Å; T509-L511 CarbonylContact O-C 3.47Å; T509-L511 VanDerWaalsContact O-C 3.25Å; T509-L511 PolarHBondContact O-N 3.4Å; T509-L511 VanDerWaalsContact O-N 3.1Å; T509-L511 PolarHBondContact OG1-O 2.81Å; T509-E512 PolarHBondContact O-N 3.34Å
510	P	98.7	Very high	98.6	Very high	14 Å²	14	22.6 Å²	22.6	9%	0.091	14%	0.138	C	C	.	.	S	Bend	trans	-50.5	-40.3	-176.9	-31	38.8	0	0	0	113.2	Y369 M370	Y369-P510 HydrophobicContact CD1-CB 4.27Å; Y369-P510 HydrophobicContact CE1-CB 3.91Å; M370-P510 HydrophobicContact CG-CG 4.3Å
511	L	98.8	Very high	98.7	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-103.6	120.6	157.4	-164.8	59.9	0	0	0	108.9	Y369 T509 W544 V553 L574	Y369-L511 HydrophobicContact CD1-CB 3.5Å; Y369-L511 HydrophobicContact CD2-CB 4.22Å; Y369-L511 HydrophobicContact CD2-CD2 3.87Å; Y369-L511 HydrophobicContact CE1-CB 3.6Å; Y369-L511 HydrophobicContact CE2-CB 4.3Å; Y369-L511 HydrophobicContact CE2-CD2 4.05Å; Y369-L511 HydrophobicContact CG-CB 3.83Å; Y369-L511 HydrophobicContact CG-CD2 4.15Å; T509-L511 WeakPolarHBondContact CB-O 3.36Å; T509-L511 CarbonylContact O-C 3.47Å; T509-L511 VanDerWaalsContact O-C 3.25Å; T509-L511 PolarHBondContact O-N 3.4Å; T509-L511 VanDerWaalsContact O-N 3.1Å; T509-L511 PolarHBondContact OG1-O 2.81Å; L511-W544 HydrophobicContact CD1-CH2 3.51Å; L511-W544 HydrophobicContact CD1-CZ2 3.78Å; L511-W544 HydrophobicContact CD2-CH2 4.2Å; L511-W544 HydrophobicContact CG-CH2 4.49Å; L511-V553 HydrophobicContact CD2-CG1 3.77Å; L511-L574 HydrophobicContact CB-CD1 4.12Å; L511-L574 HydrophobicContact CD2-CD1 4.04Å; L511-L574 HydrophobicContact CD2-CD2 4.18Å; L511-L574 HydrophobicContact CD2-CG 3.74Å; L511-L574 HydrophobicContact CG-CD1 3.87Å; L511-L574 HydrophobicContact CG-CG 4.03Å
512	E	98.9	Very high	98.7	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.047	14%	0.144	C	C	.	.			trans	-75.8	144.2	-169.9	-55.9	-179.5	170.3	0	0	111.7	H200 T506 V507 F508 T509 L574 G575 N577 A578	H200-E512 IonicContact CD2-OE1 3.96Å; H200-E512 IonicContact CE1-OE1 3.29Å; H200-E512 IonicContact NE2-OE1 2.87Å; H200-E512 PolarHBondContact NE2-OE1 2.85Å; T506-E512 HydrophobicContact CG2-CB 4.31Å; V507-E512 WeakPolarHBondContact O-CA 3.42Å; F508-E512 HydrophobicContact CD1-CG 4.34Å; T509-E512 PolarHBondContact O-N 3.34Å; E512-L574 WeakPolarHBondContact O-CA 3.46Å; E512-G575 WeakPolarHBondContact CB-O 3.49Å; E512-G575 PolarHBondContact N-O 2.64Å; E512-G575 PolarHBondContact O-N 3.48Å; E512-G575 VanDerWaalsContact O-O 3.09Å; E512-N577 WeakPolarHBondContact OE2-CA 3.3Å; E512-N577 PolarHBondContact OE2-N 3.18Å; E512-A578 HydrophobicContact CB-CB 3.61Å; E512-A578 WeakPolarHBondContact O-CB 3.29Å; E512-A578 PolarHBondContact OE2-N 3.34Å
513	Y	98.9	Very high	98.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.1	176.5	168.1	-141.8	0	0	0	111.1	L355 F358 M362 V366 T506 V507 A515 H572 V573	L355-Y513 HydrophobicContact CD1-CD1 4.44Å; F358-Y513 HydrophobicContact CB-CE1 4.24Å; F358-Y513 AromaticContact CD1-CE1 3.9Å; F358-Y513 HydrophobicContact CD1-CE1 3.9Å; F358-Y513 HydrophobicContact CG-CE1 4.46Å; M362-Y513 HydrophobicContact CB-CD1 4.27Å; M362-Y513 HydrophobicContact CB-CD2 4.14Å; M362-Y513 HydrophobicContact CB-CE1 3.72Å; M362-Y513 HydrophobicContact CB-CE2 3.63Å; M362-Y513 HydrophobicContact CB-CG 4.46Å; M362-Y513 HydrophobicContact CE-CD2 3.89Å; M362-Y513 HydrophobicContact CE-CE2 3.87Å; M362-Y513 HydrophobicContact CG-CD2 4.48Å; M362-Y513 HydrophobicContact CG-CE2 3.7Å; V366-Y513 HydrophobicContact CG2-CD1 4.3Å; V366-Y513 HydrophobicContact CG2-CG 4.25Å; T506-Y513 CarbonylContact C-O 3.38Å; T506-Y513 VanDerWaalsContact CA-O 3.25Å; T506-Y513 WeakPolarHBondContact CA-O 3.5Å; V507-Y513 HydrophobicContact CG2-CD1 4.34Å; V507-Y513 PolarHBondContact N-O 3.35Å; V507-Y513 PolarHBondContact O-N 2.87Å; Y513-A515 HydrophobicContact CE2-CB 3.87Å; Y513-H572 HydrophobicContact CE2-CB 4.05Å; Y513-H572 AromaticContact CE2-ND1 3.92Å; Y513-H572 AromaticContact CZ-ND1 3.83Å; Y513-H572 PolarHBondContact OH-ND1 3.12Å; Y513-V573 CarbonylContact C-O 3.58Å; Y513-V573 WeakPolarHBondContact CA-O 3.4Å; Y513-V573 WeakPolarHBondContact CD2-O 3.19Å
514	G	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.7	173.3	0	0	0	0	0	112.3	T505 H572 V573 T582	T505-G514 CarbonylContact O-C 3.57Å; T505-G514 WeakPolarHBondContact O-CA 3.46Å; G514-H572 CarbonylContact O-C 3.56Å; G514-H572 WeakPolarHBondContact O-CA 3.37Å; G514-V573 PolarHBondContact N-O 2.84Å; G514-V573 PolarHBondContact O-N 2.96Å; G514-T582 WeakPolarHBondContact CA-OG1 3.46Å
515	A	98.9	Very high	98.8	Very high	8 Å²	8	28.6 Å²	28.6	7%	0.066	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.7	178.6	0	0	0	0	0	112.3	A504 T505 Y513 L571	A504-A515 CarbonylContact C-O 3.55Å; A504-A515 VanDerWaalsContact CA-O 3.29Å; A504-A515 WeakPolarHBondContact CA-O 3.32Å; T505-A515 PolarHBondContact N-O 3Å; T505-A515 PolarHBondContact O-N 3.29Å; Y513-A515 HydrophobicContact CE2-CB 3.87Å; A515-L571 CarbonylContact C-O 3.55Å; A515-L571 VanDerWaalsContact CA-O 3.23Å; A515-L571 WeakPolarHBondContact CA-O 3.28Å
516	C	98.9	Very high	98.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122.7	171.8	-179	0	0	0	0	110.1	N502 A504 G570 L571 T582 I589	N502-C516 PolarHBondContact O-SG 3.08Å; A504-C516 HydrophobicContact CB-CB 4.01Å; C516-G570 CarbonylContact O-C 3.54Å; C516-G570 WeakPolarHBondContact O-CA 3.35Å; C516-L571 PolarHBondContact N-O 3.37Å; C516-L571 PolarHBondContact O-N 2.86Å; C516-T582 HydrophobicContact CB-CG2 4.08Å; C516-I589 HydrophobicContact CB-CD1 3.99Å
517	G	98.6	Very high	98.8	Very high	32 Å²	32	35.1 Å²	35.1	33%	0.33	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.7	-153.8	180	0	0	0	0	0	113.6	L569	G517-L569 CarbonylContact C-O 3.59Å; G517-L569 VanDerWaalsContact CA-O 3.32Å; G517-L569 WeakPolarHBondContact CA-O 3.38Å
518	L	98.7	Very high	98.7	Very high	32 Å²	32	36.6 Å²	36.6	17%	0.168	19%	0.191	C	C	.	.			trans	-77.7	145.9	-177.1	-60.2	179.4	0	0	0	111.5	D522 A523 K526 Y527 L569 G570 H572	L518-D522 HydrophobicContact CB-CB 4.49Å; L518-A523 HydrophobicContact CB-CB 4.29Å; L518-A523 HydrophobicContact CD1-CB 4.39Å; L518-K526 HydrophobicContact CD1-CD 4.26Å; L518-Y527 HydrophobicContact CD1-CE2 3.88Å; L518-L569 HydrophobicContact CD1-CB 4.43Å; L518-L569 PolarHBondContact N-O 3.45Å; L518-G570 WeakPolarHBondContact O-CA 3.42Å; L518-H572 PolarHBondContact O-NE2 3.41Å; L518-H572 VanDerWaalsContact O-NE2 3.08Å
519	S	98.9	Very high	98.7	Very high	9 Å²	9	39 Å²	39	6%	0.063	21%	0.206	C	C	.	.			trans	-63.7	161.8	161.6	61.3	0	0	0	0	110.9	E521 D522 A523	S519-E521 VanDerWaalsContact C-N 3.34Å; S519-E521 WeakPolarHBondContact CB-OE2 3.49Å; S519-D522 PolarHBondContact O-N 3.39Å; S519-D522 WeakPolarHBondContact OG-CB 3.49Å; S519-D522 PolarHBondContact OG-N 2.88Å; S519-D522 VanDerWaalsContact OG-N 3.14Å; S519-D522 PolarHBondContact OG-OD1 2.71Å; S519-A523 WeakPolarHBondContact O-CB 3.46Å; S519-A523 PolarHBondContact O-N 2.88Å
520	E	98.9	Very high	98.7	Very high	28 Å²	28	48.1 Å²	48.1	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-44.2	175.2	-176.8	172.9	151.3	0	0	111.9	D359 A523 I524 V534 K557 V559 K619	D359-E520 WeakPolarHBondContact OD2-CB 3.22Å; D359-E520 PolarHBondContact OD2-N 3.31Å; E520-A523 PolarHBondContact O-N 3.34Å; E520-I524 HydrophobicContact CG-CD1 4.08Å; E520-I524 WeakPolarHBondContact O-CG1 3.07Å; E520-I524 PolarHBondContact O-N 3.17Å; E520-V534 HydrophobicContact CG-CG2 3.92Å; E520-K557 IonicContact OE2-NZ 3.22Å; E520-K557 PolarHBondContact OE2-NZ 3.04Å; E520-V559 HydrophobicContact CB-CG2 4.05Å; E520-K619 WeakPolarHBondContact OE1-CD 3.47Å; E520-K619 IonicContact OE1-NZ 2.86Å; E520-K619 PolarHBondContact OE1-NZ 3.04Å; E520-K619 WeakPolarHBondContact OE2-CE 3.29Å; E520-K619 IonicContact OE2-NZ 3.65Å; E520-K619 PolarHBondContact OE2-NZ 3.44Å
521	E	98.8	Very high	98.7	Very high	69 Å²	69	48.8 Å²	48.8	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-41.1	177.5	60	-89.3	-145.6	0	0	112.7	D359 Q360 S519 I524 E525	D359-E521 VanDerWaalsContact CA-OE1 3.3Å; D359-E521 WeakPolarHBondContact CA-OE1 3.38Å; Q360-E521 WeakPolarHBondContact CG-OE1 3.39Å; Q360-E521 PolarHBondContact N-OE1 3.31Å; S519-E521 VanDerWaalsContact C-N 3.34Å; S519-E521 WeakPolarHBondContact CB-OE2 3.49Å; E521-I524 PolarHBondContact O-N 3.22Å; E521-E525 WeakPolarHBondContact O-CB 3.5Å; E521-E525 PolarHBondContact O-N 3.43Å
522	D	98.6	Very high	98.7	Very high	71 Å²	71	48.6 Å²	48.6	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-71.9	-34.6	178.4	-73.7	4.4	0	0	0	111.6	L518 S519 E525 K526	L518-D522 HydrophobicContact CB-CB 4.49Å; S519-D522 PolarHBondContact O-N 3.39Å; S519-D522 WeakPolarHBondContact OG-CB 3.49Å; S519-D522 PolarHBondContact OG-N 2.88Å; S519-D522 VanDerWaalsContact OG-N 3.14Å; S519-D522 PolarHBondContact OG-OD1 2.71Å; D522-E525 PolarHBondContact O-N 3.2Å; D522-K526 WeakPolarHBondContact O-CB 3.48Å; D522-K526 PolarHBondContact O-N 3.45Å
523	A	98.7	Very high	98.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-42.7	175.8	0	0	0	0	0	111	L518 S519 E520 K526 Y527 I532 V559 L569	L518-A523 HydrophobicContact CB-CB 4.29Å; L518-A523 HydrophobicContact CD1-CB 4.39Å; S519-A523 WeakPolarHBondContact O-CB 3.46Å; S519-A523 PolarHBondContact O-N 2.88Å; E520-A523 PolarHBondContact O-N 3.34Å; A523-K526 PolarHBondContact O-N 3.1Å; A523-Y527 WeakPolarHBondContact O-CD2 3.42Å; A523-Y527 PolarHBondContact O-N 3.36Å; A523-I532 HydrophobicContact CB-CD1 3.99Å; A523-I532 HydrophobicContact CB-CG1 4.35Å; A523-V559 HydrophobicContact CB-CG1 3.49Å; A523-V559 VanDerWaalsContact CB-CG1 3.49Å; A523-L569 HydrophobicContact CB-CD1 4.34Å
524	I	98.8	Very high	98.7	Very high	53 Å²	53	49.9 Å²	49.9	27%	0.272	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-44.9	174.8	-69.6	169.4	0	0	0	110.8	E520 E521 K526 G528 D529 I532	E520-I524 HydrophobicContact CG-CD1 4.08Å; E520-I524 WeakPolarHBondContact O-CG1 3.07Å; E520-I524 PolarHBondContact O-N 3.17Å; E521-I524 PolarHBondContact O-N 3.22Å; I524-K526 VanDerWaalsContact C-N 3.29Å; I524-K526 PolarHBondContact O-N 3.47Å; I524-G528 WeakPolarHBondContact O-CA 3.35Å; I524-G528 PolarHBondContact O-N 2.82Å; I524-D529 HydrophobicContact CG2-CB 3.98Å; I524-I532 HydrophobicContact CG1-CB 4.24Å; I524-I532 HydrophobicContact CG1-CG1 4.2Å; I524-I532 HydrophobicContact CG1-CG2 4.29Å
525	E	98.6	Very high	98.7	Very high	165 Å²	165	51.9 Å²	51.9	77%	0.771	26%	0.262	S	S	*	.	H	α-helix	trans	-59.3	-41.7	177.6	-176.3	177.3	177.3	0	0	111.4	E521 D522	E521-E525 WeakPolarHBondContact O-CB 3.5Å; E521-E525 PolarHBondContact O-N 3.43Å; D522-E525 PolarHBondContact O-N 3.2Å
526	K	98.5	Very high	98.7	Very high	124 Å²	124	52 Å²	52	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-79.5	-40.7	-175.3	-173.4	174.2	-71	166	0	114.3	L518 D522 A523 I524	L518-K526 HydrophobicContact CD1-CD 4.26Å; D522-K526 WeakPolarHBondContact O-CB 3.48Å; D522-K526 PolarHBondContact O-N 3.45Å; A523-K526 PolarHBondContact O-N 3.1Å; I524-K526 VanDerWaalsContact C-N 3.29Å; I524-K526 PolarHBondContact O-N 3.47Å
527	Y	98.6	Very high	98.7	Very high	80 Å²	80	52.9 Å²	52.9	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-113.6	-9.3	-171.6	-59.6	-68.8	0	0	0	113.9	L518 A523 D531 I532 R561 L569	L518-Y527 HydrophobicContact CD1-CE2 3.88Å; A523-Y527 WeakPolarHBondContact O-CD2 3.42Å; A523-Y527 PolarHBondContact O-N 3.36Å; Y527-D531 WeakPolarHBondContact O-CB 3.39Å; Y527-I532 HydrophobicContact CD2-CD1 4.32Å; Y527-R561 VanDerWaalsContact CD1-CZ 3.44Å; Y527-L569 HydrophobicContact CD2-CD1 3.47Å; Y527-L569 VanDerWaalsContact CD2-CD1 3.47Å; Y527-L569 HydrophobicContact CE2-CD1 3.42Å; Y527-L569 VanDerWaalsContact CE2-CD1 3.42Å; Y527-L569 HydrophobicContact CE2-CD2 4.28Å; Y527-L569 HydrophobicContact CE2-CG 4.47Å; Y527-L569 HydrophobicContact CG-CD1 4.48Å
528	G	98.5	Very high	98.7	Very high	33 Å²	33	51.7 Å²	51.7	34%	0.34	25%	0.253	S	S	.	.			trans	84.9	141	-178.7	0	0	0	0	0	112.8	I524 K530 D531	I524-G528 WeakPolarHBondContact O-CA 3.35Å; I524-G528 PolarHBondContact O-N 2.82Å; G528-K530 VanDerWaalsContact C-N 3.25Å; G528-K530 PolarHBondContact O-N 2.86Å; G528-K530 VanDerWaalsContact O-N 3.13Å; G528-D531 PolarHBondContact O-N 2.87Å
529	D	98.6	Very high	98.7	Very high	85 Å²	85	50.5 Å²	50.5	46%	0.455	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52.6	-39.9	-175.9	174.8	59	0	0	0	113.2	I524 D531 I532 K620	I524-D529 HydrophobicContact CG2-CB 3.98Å; D529-D531 PolarHBondContact O-N 3.43Å; D529-I532 PolarHBondContact O-N 3.1Å; D529-K620 PolarHBondContact O-NZ 3.48Å; D529-K620 IonicContact OD1-NZ 2.64Å; D529-K620 PolarHBondContact OD1-NZ 3.2Å; D529-K620 IonicContact OD2-NZ 2.72Å; D529-K620 PolarHBondContact OD2-NZ 3.41Å
530	K	98.4	Very high	98.7	Very high	192 Å²	192	52.7 Å²	52.7	84%	0.835	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.4	-26	-179.7	-72.3	-171.2	177.2	-178.7	0	113.9	G528	G528-K530 VanDerWaalsContact C-N 3.25Å; G528-K530 PolarHBondContact O-N 2.86Å; G528-K530 VanDerWaalsContact O-N 3.13Å
531	D	98.7	Very high	98.6	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.144	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-95	-0.2	-177.1	-161.1	28.8	0	0	0	112.9	Y527 G528 D529 R561 K562 S563	Y527-D531 WeakPolarHBondContact O-CB 3.39Å; G528-D531 PolarHBondContact O-N 2.87Å; D529-D531 PolarHBondContact O-N 3.43Å; D531-R561 CarbonylContact O-C 3.57Å; D531-R561 WeakPolarHBondContact O-CA 3.48Å; D531-R561 WeakPolarHBondContact OD2-CG 3.38Å; D531-R561 IonicContact OD2-CZ 3.65Å; D531-R561 IonicContact OD2-NE 3.19Å; D531-R561 PolarHBondContact OD2-NE 3.48Å; D531-R561 IonicContact OD2-NH2 2.81Å; D531-R561 PolarHBondContact OD2-NH2 3.18Å; D531-K562 PolarHBondContact O-N 3.42Å; D531-S563 WeakPolarHBondContact OD1-CB 3.46Å; D531-S563 PolarHBondContact OD1-N 2.95Å; D531-S563 PolarHBondContact OD1-OG 3.43Å; D531-S563 PolarHBondContact OD2-OG 3.24Å
532	I	98.9	Very high	98.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.6	178.3	-61.3	-57.2	0	0	0	110.2	A523 I524 Y527 D529 V534 V559 C560 K562 L569 K620	A523-I532 HydrophobicContact CB-CD1 3.99Å; A523-I532 HydrophobicContact CB-CG1 4.35Å; I524-I532 HydrophobicContact CG1-CB 4.24Å; I524-I532 HydrophobicContact CG1-CG1 4.2Å; I524-I532 HydrophobicContact CG1-CG2 4.29Å; Y527-I532 HydrophobicContact CD2-CD1 4.32Å; D529-I532 PolarHBondContact O-N 3.1Å; I532-V534 HydrophobicContact CG2-CG2 3.99Å; I532-V559 HydrophobicContact CG2-CG1 3.85Å; I532-C560 WeakPolarHBondContact CA-O 3.34Å; I532-K562 WeakPolarHBondContact O-CE 3.31Å; I532-L569 HydrophobicContact CD1-CD1 3.83Å; I532-K620 VanDerWaalsContact O-CE 3.25Å; I532-K620 WeakPolarHBondContact O-CE 3.38Å
533	E	98.9	Very high	98.6	Very high	31 Å²	31	54.4 Å²	54.4	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.9	164.1	-154.4	77.6	115.4	0	0	109.4	Y535 C560 K562 M566 T618 K620	E533-Y535 HydrophobicContact CB-CE2 4.18Å; E533-Y535 HydrophobicContact CG-CE2 4.06Å; E533-C560 PolarHBondContact N-O 2.94Å; E533-C560 PolarHBondContact O-N 3.39Å; E533-K562 VanDerWaalsContact CB-CE 3.45Å; E533-K562 HydrophobicContact CB-CG 4.22Å; E533-K562 VanDerWaalsContact OE1-CE 3.31Å; E533-K562 WeakPolarHBondContact OE1-CE 3.42Å; E533-K562 IonicContact OE1-NZ 3.73Å; E533-K562 PolarHBondContact OE1-NZ 3.24Å; E533-K562 WeakPolarHBondContact OE2-CE 3.46Å; E533-K562 IonicContact OE2-NZ 2.68Å; E533-K562 PolarHBondContact OE2-NZ 2.98Å; E533-M566 HydrophobicContact CB-SD 4.45Å; E533-T618 HydrophobicContact CG-CG2 3.82Å; E533-K620 WeakPolarHBondContact OE2-CD 3.22Å
534	V	98.9	Very high	98.6	Very high	8 Å²	8	55.5 Å²	55.5	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.7	179.3	-177.2	0	0	0	0	108.8	E520 I532 K557 L558 T618 K619	E520-V534 HydrophobicContact CG-CG2 3.92Å; I532-V534 HydrophobicContact CG2-CG2 3.99Å; V534-K557 HydrophobicContact CG1-CB 4.12Å; V534-K557 HydrophobicContact CG1-CD 4.11Å; V534-L558 WeakPolarHBondContact CA-O 3.27Å; V534-T618 CarbonylContact O-C 3.53Å; V534-T618 WeakPolarHBondContact O-CA 3.44Å; V534-K619 HydrophobicContact CB-CB 4.33Å; V534-K619 HydrophobicContact CB-CD 3.99Å; V534-K619 HydrophobicContact CB-CG 4.07Å; V534-K619 HydrophobicContact CG1-CD 3.9Å; V534-K619 HydrophobicContact CG1-CG 4.11Å; V534-K619 HydrophobicContact CG2-CD 4.49Å; V534-K619 PolarHBondContact O-N 2.9Å
535	Y	98.9	Very high	98.5	Very high	42 Å²	42	55.6 Å²	55.6	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.3	171.7	-64.6	-95.6	0	0	0	108.8	E533 K557 L558 C560 M566 K595 V617 T618	E533-Y535 HydrophobicContact CB-CE2 4.18Å; E533-Y535 HydrophobicContact CG-CE2 4.06Å; Y535-K557 CarbonylContact O-C 3.48Å; Y535-K557 WeakPolarHBondContact O-CA 3.43Å; Y535-K557 WeakPolarHBondContact O-CB 3.39Å; Y535-L558 PolarHBondContact N-O 3.07Å; Y535-L558 PolarHBondContact O-N 3.24Å; Y535-C560 HydrophobicContact CE2-CB 4.4Å; Y535-M566 HydrophobicContact CE2-CG 4.31Å; Y535-K595 HydrophobicContact CD2-CD 4.17Å; Y535-K595 HydrophobicContact CD2-CG 4.3Å; Y535-K595 HydrophobicContact CE1-CG 4.47Å; Y535-K595 HydrophobicContact CE2-CD 4.35Å; Y535-K595 HydrophobicContact CE2-CG 3.97Å; Y535-K595 HydrophobicContact CG-CD 4.28Å; Y535-V617 VanDerWaalsContact CA-O 3.3Å; Y535-V617 WeakPolarHBondContact CA-O 3.48Å; Y535-T618 HydrophobicContact CD1-CG2 3.69Å; Y535-T618 HydrophobicContact CE1-CG2 3.53Å; Y535-T618 HydrophobicContact CG-CG2 4.28Å
536	H	98.9	Very high	98.5	Very high	11 Å²	11	50.8 Å²	50.8	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.5	-177.1	67.7	166.1	0	0	0	113.4	Y555 M556 K557 V617	H536-Y555 HydrophobicContact CB-CE2 3.81Å; H536-Y555 WeakPolarHBondContact CB-OH 3.47Å; H536-Y555 AromaticContact ND1-CE2 3.76Å; H536-Y555 AromaticContact ND1-CZ 3.76Å; H536-Y555 PolarHBondContact ND1-OH 3.08Å; H536-M556 VanDerWaalsContact CA-O 3.31Å; H536-M556 WeakPolarHBondContact CA-O 3.45Å; H536-M556 WeakPolarHBondContact CB-O 3.5Å; H536-K557 HydrophobicContact CB-CB 3.83Å; H536-V617 PolarHBondContact N-O 3.2Å
537	S	98.7	Very high	98.5	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144	170.8	-166.4	0	0	0	0	109.2	M556 L615	S537-M556 PolarHBondContact N-O 2.82Å; S537-M556 PolarHBondContact O-N 2.84Å; S537-L615 VanDerWaalsContact CB-CD2 3.41Å
538	N	98.7	Very high	98.4	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.032	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	162.7	153.5	-77.6	104.8	0	0	0	109.9	N552 C554 P625 V627	N538-N552 HydrophobicContact CB-CB 4.31Å; N538-N552 VanDerWaalsContact ND2-C 3.3Å; N538-N552 PolarHBondContact ND2-O 2.93Å; N538-C554 VanDerWaalsContact CA-O 3.27Å; N538-C554 WeakPolarHBondContact CA-O 3.49Å; N538-C554 PolarHBondContact ND2-O 2.79Å; N538-P625 WeakPolarHBondContact CB-O 3.36Å; N538-P625 PolarHBondContact N-O 3.45Å; N538-V627 WeakPolarHBondContact O-CG1 3.39Å
539	F	98.5	Very high	98.3	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	23%	0.234	C	C	.	.			trans	-150.8	167.4	171.1	64	-82	0	0	0	109.7	C554 M556 V573 C608 T611	F539-C554 HydrophobicContact CD1-CB 3.94Å; F539-C554 HydrophobicContact CD2-CB 3.86Å; F539-C554 HydrophobicContact CE1-CB 3.68Å; F539-C554 HydrophobicContact CE2-CB 3.59Å; F539-C554 HydrophobicContact CG-CB 4.03Å; F539-C554 HydrophobicContact CZ-CB 3.52Å; F539-C554 PolarHBondContact N-O 3.01Å; F539-C554 WeakPolarHBondContact O-CB 3.46Å; F539-M556 HydrophobicContact CD1-CE 3.49Å; F539-M556 VanDerWaalsContact CD1-CE 3.49Å; F539-M556 HydrophobicContact CD1-CG 4.21Å; F539-M556 HydrophobicContact CE1-CB 4.26Å; F539-M556 HydrophobicContact CE1-CE 3.33Å; F539-M556 HydrophobicContact CE1-CG 4.28Å; F539-M556 HydrophobicContact CE2-CE 4.41Å; F539-M556 HydrophobicContact CG-CE 4.1Å; F539-M556 HydrophobicContact CZ-CE 3.83Å; F539-V573 HydrophobicContact CE1-CG2 4.17Å; F539-V573 HydrophobicContact CZ-CG2 4.02Å; F539-C608 HydrophobicContact CD2-CB 4.35Å; F539-C608 HydrophobicContact CE2-CB 3.73Å; F539-C608 HydrophobicContact CZ-CB 4.48Å; F539-T611 HydrophobicContact CB-CG2 4.29Å
540	K	98.2	Very high	98.2	Very high	54 Å²	54	46.6 Å²	46.6	24%	0.235	23%	0.225	C	C	.	.			trans	-126.6	125.7	170.1	-166.3	-173.4	-159.7	162.3	0	108.7	L542 W544 T545 R549 D551	K540-L542 PolarHBondContact O-N 3.44Å; K540-W544 HydrophobicContact CD-CB 4.48Å; K540-W544 VanDerWaalsContact CE-O 3.3Å; K540-W544 WeakPolarHBondContact CE-O 3.32Å; K540-W544 HydrophobicContact CG-CB 4.02Å; K540-T545 HydrophobicContact CD-CG2 3.96Å; K540-R549 WeakPolarHBondContact CE-O 3.24Å; K540-R549 PolarHBondContact NZ-O 2.99Å; K540-D551 WeakPolarHBondContact CD-OD1 3.37Å; K540-D551 WeakPolarHBondContact CE-OD1 3.38Å; K540-D551 IonicContact NZ-OD1 2.7Å; K540-D551 PolarHBondContact NZ-OD1 2.71Å
541	P	98.3	Very high	98.1	Very high	2 Å²	2	42 Å²	42	1%	0.013	21%	0.21	C	C	.	.			trans	-54.2	138.5	167.7	-23.1	33.1	0	0	0	110.1	E543 W544 P576	P541-E543 PolarHBondContact O-N 2.88Å; P541-W544 HydrophobicContact CB-CB 4.19Å; P541-W544 HydrophobicContact CB-CD2 4.36Å; P541-W544 HydrophobicContact CB-CG 3.92Å; P541-W544 HydrophobicContact CG-CB 4.45Å; P541-W544 HydrophobicContact CG-CD2 3.81Å; P541-W544 HydrophobicContact CG-CE3 4.23Å; P541-W544 HydrophobicContact CG-CG 3.9Å; P541-W544 WeakPolarHBondContact O-CB 3.33Å; P541-W544 PolarHBondContact O-N 3.46Å; P541-P576 HydrophobicContact CB-CG 4.2Å; P541-P576 HydrophobicContact CG-CG 3.58Å
542	L	98	Very high	98	Very high	98 Å²	98	43.3 Å²	43.3	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.6	178.6	179.3	61.4	0	0	0	110.5	K540 W544 T545 P606	K540-L542 PolarHBondContact O-N 3.44Å; L542-W544 PolarHBondContact O-N 2.69Å; L542-T545 HydrophobicContact CD1-CG2 4.25Å; L542-T545 WeakPolarHBondContact O-CB 3.42Å; L542-T545 WeakPolarHBondContact O-CG2 3.12Å; L542-T545 PolarHBondContact O-N 2.85Å; L542-T545 VanDerWaalsContact O-N 3.09Å; L542-T545 PolarHBondContact O-OG1 2.81Å; L542-P606 HydrophobicContact CB-CB 4.47Å; L542-P606 HydrophobicContact CD2-CB 3.72Å; L542-P606 HydrophobicContact CD2-CG 3.62Å
543	E	98.2	Very high	98	Very high	105 Å²	105	44.9 Å²	44.9	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-29.2	176.8	-60.9	74.1	-161.3	0	0	112.6	P541 T545	P541-E543 PolarHBondContact O-N 2.88Å; E543-T545 VanDerWaalsContact C-N 3.32Å
544	W	98.3	Very high	98	Very high	22 Å²	22	43.4 Å²	43.4	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-81	-11.3	-179.4	-77.1	18.4	0	0	0	113.5	Y369 L511 K540 P541 L542 H548 R549	Y369-W544 HydrophobicContact CE2-CH2 4.37Å; L511-W544 HydrophobicContact CD1-CH2 3.51Å; L511-W544 HydrophobicContact CD1-CZ2 3.78Å; L511-W544 HydrophobicContact CD2-CH2 4.2Å; L511-W544 HydrophobicContact CG-CH2 4.49Å; K540-W544 HydrophobicContact CD-CB 4.48Å; K540-W544 VanDerWaalsContact CE-O 3.3Å; K540-W544 WeakPolarHBondContact CE-O 3.32Å; K540-W544 HydrophobicContact CG-CB 4.02Å; P541-W544 HydrophobicContact CB-CB 4.19Å; P541-W544 HydrophobicContact CB-CD2 4.36Å; P541-W544 HydrophobicContact CB-CG 3.92Å; P541-W544 HydrophobicContact CG-CB 4.45Å; P541-W544 HydrophobicContact CG-CD2 3.81Å; P541-W544 HydrophobicContact CG-CE3 4.23Å; P541-W544 HydrophobicContact CG-CG 3.9Å; P541-W544 WeakPolarHBondContact O-CB 3.33Å; P541-W544 PolarHBondContact O-N 3.46Å; L542-W544 PolarHBondContact O-N 2.69Å; W544-H548 PolarHBondContact O-N 3.41Å; W544-R549 HydrophobicContact CB-CB 3.83Å; W544-R549 HydrophobicContact CD2-CB 3.75Å; W544-R549 HydrophobicContact CD2-CG 4.42Å; W544-R549 HydrophobicContact CE3-CB 3.84Å; W544-R549 HydrophobicContact CG-CB 3.77Å; W544-R549 HydrophobicContact CG-CG 4.33Å; W544-R549 PolarHBondContact O-N 3.41Å; W544-R549 VanDerWaalsContact O-N 3.12Å
545	T	97.5	Very high	98	Very high	56 Å²	56	43.1 Å²	43.1	34%	0.344	22%	0.218	S	C	.	.	H	α-helix	trans	-67.5	-58.3	180	59.9	0	0	0	0	111.3	K540 L542 E543 A547 H548	K540-T545 HydrophobicContact CD-CG2 3.96Å; L542-T545 HydrophobicContact CD1-CG2 4.25Å; L542-T545 WeakPolarHBondContact O-CB 3.42Å; L542-T545 WeakPolarHBondContact O-CG2 3.12Å; L542-T545 PolarHBondContact O-N 2.85Å; L542-T545 VanDerWaalsContact O-N 3.09Å; L542-T545 PolarHBondContact O-OG1 2.81Å; E543-T545 VanDerWaalsContact C-N 3.32Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 3.07Å; T545-H548 PolarHBondContact O-N 2.79Å
546	V	98	Very high	98	Very high	64 Å²	64	41.1 Å²	41.1	39%	0.388	21%	0.21	S	C	.	.	H	α-helix	trans	-66.2	-37	179.3	177.7	0	0	0	0	111	H214 F215 H548	H214-V546 HydrophobicContact CB-CG1 4.43Å; H214-V546 WeakPolarHBondContact CB-O 3.39Å; H214-V546 WeakPolarHBondContact O-CG1 3.34Å; F215-V546 HydrophobicContact CD1-CB 4.43Å; F215-V546 HydrophobicContact CD1-CG1 4.03Å; F215-V546 HydrophobicContact CD2-CG1 4.29Å; F215-V546 HydrophobicContact CE1-CB 3.85Å; F215-V546 HydrophobicContact CE1-CG1 3.96Å; F215-V546 HydrophobicContact CE1-CG2 4.12Å; F215-V546 HydrophobicContact CE2-CB 4.06Å; F215-V546 HydrophobicContact CE2-CG1 4.22Å; F215-V546 HydrophobicContact CG-CG1 4.21Å; F215-V546 HydrophobicContact CZ-CB 3.64Å; F215-V546 HydrophobicContact CZ-CG1 4.06Å; F215-V546 HydrophobicContact CZ-CG2 4.25Å; V546-H548 PolarHBondContact O-CD2 3.33Å; V546-H548 PolarHBondContact O-N 3.02Å; V546-H548 VanDerWaalsContact O-N 3.15Å; V546-H548 PolarHBondContact O-NE2 3.49Å
547	A	98	Very high	98	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-0.9	177.2	0	0	0	0	0	114.4	D211 F215 T545 R549	D211-A547 HydrophobicContact CB-CB 3.91Å; D211-A547 WeakPolarHBondContact OD1-CB 3.45Å; F215-A547 HydrophobicContact CE2-CB 4.2Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 3.07Å; A547-R549 HydrophobicContact CB-CG 4.23Å; A547-R549 PolarHBondContact O-N 2.76Å; A547-R549 VanDerWaalsContact O-N 3.09Å
548	H	97.3	Very high	98	Very high	147 Å²	147	39.7 Å²	39.7	68%	0.681	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	-178.9	-57.4	-73.3	0	0	0	114.6	H214 W544 T545 V546	H214-H548 AromaticContact CE1-CD2 3.81Å; H214-H548 AromaticContact ND1-CD2 3.56Å; W544-H548 PolarHBondContact O-N 3.41Å; T545-H548 PolarHBondContact O-N 2.79Å; V546-H548 PolarHBondContact O-CD2 3.33Å; V546-H548 PolarHBondContact O-N 3.02Å; V546-H548 VanDerWaalsContact O-N 3.15Å; V546-H548 PolarHBondContact O-NE2 3.49Å
549	R	97.5	Very high	98	Very high	23 Å²	23	39.4 Å²	39.4	9%	0.087	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-74.7	168.9	171.4	-68.1	-175.7	178.9	-79.9	-18	110.8	H207 E210 D211 K540 W544 A547	H207-R549 VanDerWaalsContact CB-NH2 3.32Å; H207-R549 PolarHBondContact O-NH2 3.22Å; E210-R549 IonicContact OE2-NH2 2.7Å; E210-R549 PolarHBondContact OE2-NH2 2.77Å; D211-R549 VanDerWaalsContact CG-NE 3.33Å; D211-R549 IonicContact OD1-CZ 2.77Å; D211-R549 IonicContact OD1-NE 3.97Å; D211-R549 PolarHBondContact OD1-NE 2.87Å; D211-R549 IonicContact OD1-NH2 2.81Å; D211-R549 PolarHBondContact OD1-NH2 2.7Å; D211-R549 IonicContact OD2-CZ 2.79Å; D211-R549 IonicContact OD2-NE 2.7Å; D211-R549 PolarHBondContact OD2-NE 2.89Å; D211-R549 VanDerWaalsContact OD2-NE 3.13Å; D211-R549 IonicContact OD2-NH2 3.15Å; K540-R549 WeakPolarHBondContact CE-O 3.24Å; K540-R549 PolarHBondContact NZ-O 2.99Å; W544-R549 HydrophobicContact CB-CB 3.83Å; W544-R549 HydrophobicContact CD2-CB 3.75Å; W544-R549 HydrophobicContact CD2-CG 4.42Å; W544-R549 HydrophobicContact CE3-CB 3.84Å; W544-R549 HydrophobicContact CG-CB 3.77Å; W544-R549 HydrophobicContact CG-CG 4.33Å; W544-R549 PolarHBondContact O-N 3.41Å; W544-R549 VanDerWaalsContact O-N 3.12Å; A547-R549 HydrophobicContact CB-CG 4.23Å; A547-R549 PolarHBondContact O-N 2.76Å; A547-R549 VanDerWaalsContact O-N 3.09Å
550	E	96.5	Very high	98	Very high	58 Å²	58	39 Å²	39	27%	0.271	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-67.8	138.9	-164.7	-51.3	99.2	102.3	0	0	113.5	H373 V553	H373-E550 IonicContact CE1-OE1 2.75Å; H373-E550 PolarHBondContact CE1-OE1 3.34Å; H373-E550 IonicContact NE2-OE1 2.67Å; E550-V553 HydrophobicContact CB-CB 4.17Å; E550-V553 HydrophobicContact CB-CG2 3.42Å; E550-V553 VanDerWaalsContact CB-CG2 3.42Å; E550-V553 HydrophobicContact CG-CG2 4.12Å
551	D	95.2	Very high	98.1	Very high	97 Å²	97	39.8 Å²	39.8	52%	0.519	20%	0.2	S	C	.	.	S	Bend	trans	-76.7	152.1	163.9	-58.6	-46.6	0	0	0	110	K540 V553	K540-D551 WeakPolarHBondContact CD-OD1 3.37Å; K540-D551 WeakPolarHBondContact CE-OD1 3.38Å; K540-D551 IonicContact NZ-OD1 2.7Å; K540-D551 PolarHBondContact NZ-OD1 2.71Å; D551-V553 PolarHBondContact O-N 2.82Å; D551-V553 VanDerWaalsContact O-N 3.08Å
552	N	97.1	Very high	98.1	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	21%	0.213	S	C	.	.	S	Bend	trans	59.6	22.2	169.2	-60.5	-60.1	0	0	0	116.3	N538 I626 V627	N538-N552 HydrophobicContact CB-CB 4.31Å; N538-N552 VanDerWaalsContact ND2-C 3.3Å; N538-N552 PolarHBondContact ND2-O 2.93Å; N552-I626 HydrophobicContact CB-CG2 4.35Å; N552-I626 WeakPolarHBondContact OD1-CA 3.34Å; N552-V627 WeakPolarHBondContact OD1-CG2 3.21Å; N552-V627 PolarHBondContact OD1-N 2.56Å
553	V	98.5	Very high	98.1	Very high	34 Å²	34	42 Å²	42	21%	0.206	22%	0.215	C	C	.	.			trans	-94.4	-53.2	172.5	169.4	0	0	0	0	111.5	Y369 L511 E550 D551 Y555	Y369-V553 HydrophobicContact CD2-CG1 3.59Å; Y369-V553 HydrophobicContact CE2-CG1 4.04Å; L511-V553 HydrophobicContact CD2-CG1 3.77Å; E550-V553 HydrophobicContact CB-CB 4.17Å; E550-V553 HydrophobicContact CB-CG2 3.42Å; E550-V553 VanDerWaalsContact CB-CG2 3.42Å; E550-V553 HydrophobicContact CG-CG2 4.12Å; D551-V553 PolarHBondContact O-N 2.82Å; D551-V553 VanDerWaalsContact O-N 3.08Å; V553-Y555 PolarHBondContact O-N 3.11Å
554	C	98.7	Very high	98.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.206	C	C	.	.	S	Bend	trans	-60.6	139.8	173.7	-66.2	0	0	0	0	109.7	N538 F539 L574	N538-C554 VanDerWaalsContact CA-O 3.27Å; N538-C554 WeakPolarHBondContact CA-O 3.49Å; N538-C554 PolarHBondContact ND2-O 2.79Å; F539-C554 HydrophobicContact CD1-CB 3.94Å; F539-C554 HydrophobicContact CD2-CB 3.86Å; F539-C554 HydrophobicContact CE1-CB 3.68Å; F539-C554 HydrophobicContact CE2-CB 3.59Å; F539-C554 HydrophobicContact CG-CB 4.03Å; F539-C554 HydrophobicContact CZ-CB 3.52Å; F539-C554 PolarHBondContact N-O 3.01Å; F539-C554 WeakPolarHBondContact O-CB 3.46Å; C554-L574 VanDerWaalsContact CA-O 3.31Å; C554-L574 WeakPolarHBondContact CA-O 3.38Å; C554-L574 WeakPolarHBondContact CB-O 3.41Å
555	Y	98.9	Very high	98.1	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	139.9	-168.1	178.9	-104.4	0	0	0	111.1	Q361 M362 K365 H536 V553 K557 V573 L574 P625	Q361-Y555 PolarHBondContact NE2-OH 3.04Å; M362-Y555 HydrophobicContact CE-CD1 4.01Å; M362-Y555 HydrophobicContact SD-CD1 3.63Å; M362-Y555 HydrophobicContact SD-CE1 3.77Å; K365-Y555 HydrophobicContact CD-CD1 3.79Å; K365-Y555 HydrophobicContact CD-CE1 4.49Å; K365-Y555 HydrophobicContact CD-CG 4.01Å; H536-Y555 HydrophobicContact CB-CE2 3.81Å; H536-Y555 WeakPolarHBondContact CB-OH 3.47Å; H536-Y555 AromaticContact ND1-CE2 3.76Å; H536-Y555 AromaticContact ND1-CZ 3.76Å; H536-Y555 PolarHBondContact ND1-OH 3.08Å; V553-Y555 PolarHBondContact O-N 3.11Å; Y555-K557 HydrophobicContact CE1-CB 4.23Å; Y555-K557 HydrophobicContact CE1-CD 4.09Å; Y555-K557 HydrophobicContact CE1-CG 4.15Å; Y555-V573 CarbonylContact O-C 3.59Å; Y555-V573 WeakPolarHBondContact O-CA 3.36Å; Y555-L574 PolarHBondContact N-O 3.35Å; Y555-L574 PolarHBondContact O-N 3.1Å; Y555-P625 HydrophobicContact CE2-CB 4.17Å; Y555-P625 HydrophobicContact CE2-CG 4.5Å
556	M	98.8	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.5	173.2	62.7	176.1	71.4	0	0	112.2	H536 S537 F539 H572 V573 C608 T611 F612 L615	H536-M556 VanDerWaalsContact CA-O 3.31Å; H536-M556 WeakPolarHBondContact CA-O 3.45Å; H536-M556 WeakPolarHBondContact CB-O 3.5Å; S537-M556 PolarHBondContact N-O 2.82Å; S537-M556 PolarHBondContact O-N 2.84Å; F539-M556 HydrophobicContact CD1-CE 3.49Å; F539-M556 VanDerWaalsContact CD1-CE 3.49Å; F539-M556 HydrophobicContact CD1-CG 4.21Å; F539-M556 HydrophobicContact CE1-CB 4.26Å; F539-M556 HydrophobicContact CE1-CE 3.33Å; F539-M556 HydrophobicContact CE1-CG 4.28Å; F539-M556 HydrophobicContact CE2-CE 4.41Å; F539-M556 HydrophobicContact CG-CE 4.1Å; F539-M556 HydrophobicContact CZ-CE 3.83Å; M556-H572 CarbonylContact C-O 3.55Å; M556-H572 WeakPolarHBondContact CA-O 3.34Å; M556-H572 WeakPolarHBondContact CB-O 3.21Å; M556-V573 HydrophobicContact CB-CB 4.21Å; M556-V573 HydrophobicContact CB-CG2 4.23Å; M556-V573 HydrophobicContact CE-CG2 4.31Å; M556-C608 WeakPolarHBondContact CE-O 3.25Å; M556-T611 HydrophobicContact CE-CG2 4.05Å; M556-T611 HydrophobicContact CG-CG2 4.28Å; M556-T611 VanDerWaalsContact SD-CB 3.55Å; M556-T611 HydrophobicContact SD-CG2 3.64Å; M556-F612 HydrophobicContact CB-CE1 3.92Å; M556-F612 HydrophobicContact CB-CE2 4.27Å; M556-F612 HydrophobicContact CB-CZ 3.72Å; M556-F612 HydrophobicContact CE-CD2 4.15Å; M556-F612 HydrophobicContact CE-CE2 4.16Å; M556-F612 HydrophobicContact CG-CE1 4.29Å; M556-F612 HydrophobicContact CG-CZ 4.38Å; M556-F612 HydrophobicContact SD-CB 4.28Å; M556-F612 HydrophobicContact SD-CD1 3.79Å; M556-F612 HydrophobicContact SD-CD2 3.65Å; M556-F612 HydrophobicContact SD-CE1 3.97Å; M556-F612 HydrophobicContact SD-CE2 3.85Å; M556-F612 HydrophobicContact SD-CG 3.62Å; M556-F612 HydrophobicContact SD-CZ 4Å; M556-F612 PolarHBondContact SD-N 3.08Å; M556-F612 VanDerWaalsContact SD-N 3.44Å; M556-L615 HydrophobicContact CG-CD2 4.14Å; M556-L615 HydrophobicContact SD-CD2 4.36Å
557	K	98.9	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.6	175.8	63.2	175.7	-177.5	-177.4	0	113	D359 E520 V534 Y535 H536 Y555 H572	D359-K557 IonicContact OD1-NZ 2.95Å; D359-K557 PolarHBondContact OD1-NZ 2.6Å; D359-K557 WeakPolarHBondContact OD2-CE 3.42Å; D359-K557 IonicContact OD2-NZ 3.34Å; D359-K557 PolarHBondContact OD2-NZ 3.47Å; E520-K557 IonicContact OE2-NZ 3.22Å; E520-K557 PolarHBondContact OE2-NZ 3.04Å; V534-K557 HydrophobicContact CG1-CB 4.12Å; V534-K557 HydrophobicContact CG1-CD 4.11Å; Y535-K557 CarbonylContact O-C 3.48Å; Y535-K557 WeakPolarHBondContact O-CA 3.43Å; Y535-K557 WeakPolarHBondContact O-CB 3.39Å; H536-K557 HydrophobicContact CB-CB 3.83Å; Y555-K557 HydrophobicContact CE1-CB 4.23Å; Y555-K557 HydrophobicContact CE1-CD 4.09Å; Y555-K557 HydrophobicContact CE1-CG 4.15Å; K557-H572 HydrophobicContact CG-CB 3.85Å; K557-H572 PolarHBondContact N-O 3.15Å; K557-H572 PolarHBondContact O-N 3.16Å
558	L	99	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.1	166.5	-63.2	177.3	0	0	0	109	V534 Y535 V568 G570 L571 K595 F598 F612 L615	V534-L558 WeakPolarHBondContact CA-O 3.27Å; Y535-L558 PolarHBondContact N-O 3.07Å; Y535-L558 PolarHBondContact O-N 3.24Å; L558-V568 HydrophobicContact CD2-CG1 3.94Å; L558-G570 WeakPolarHBondContact CA-O 3.41Å; L558-L571 HydrophobicContact CD2-CB 3.86Å; L558-L571 HydrophobicContact CD2-CD1 3.74Å; L558-L571 HydrophobicContact CD2-CG 3.76Å; L558-K595 HydrophobicContact CD1-CD 4.07Å; L558-F598 HydrophobicContact CD1-CD1 3.78Å; L558-F598 HydrophobicContact CD1-CD2 4.5Å; L558-F598 HydrophobicContact CD1-CE1 4.03Å; L558-F598 HydrophobicContact CD1-CG 4.03Å; L558-F598 HydrophobicContact CD2-CE1 3.99Å; L558-F598 HydrophobicContact CD2-CZ 4.18Å; L558-F612 HydrophobicContact CD1-CD1 4.37Å; L558-F612 HydrophobicContact CD2-CD1 3.8Å; L558-F612 HydrophobicContact CD2-CE1 3.73Å; L558-F612 HydrophobicContact CG-CD1 3.98Å; L558-F612 HydrophobicContact CG-CE1 4.14Å; L558-L615 HydrophobicContact CD1-CD1 4.03Å; L558-L615 HydrophobicContact CG-CD1 3.84Å
559	V	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.7	174.2	-176	0	0	0	0	107.6	E520 A523 I532 L569 G570	E520-V559 HydrophobicContact CB-CG2 4.05Å; A523-V559 HydrophobicContact CB-CG1 3.49Å; A523-V559 VanDerWaalsContact CB-CG1 3.49Å; I532-V559 HydrophobicContact CG2-CG1 3.85Å; V559-L569 PolarHBondContact O-N 3.03Å; V559-G570 PolarHBondContact N-O 3.3Å; V559-G570 PolarHBondContact O-N 3.39Å
560	C	98.9	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.4	-170.8	-62.7	0	0	0	0	112.1	I532 E533 Y535 M566 R567	I532-C560 WeakPolarHBondContact CA-O 3.34Å; E533-C560 PolarHBondContact N-O 2.94Å; E533-C560 PolarHBondContact O-N 3.39Å; Y535-C560 HydrophobicContact CE2-CB 4.4Å; C560-M566 HydrophobicContact CB-CG 4.13Å; C560-M566 HydrophobicContact CB-SD 4.4Å; C560-R567 CarbonylContact C-O 3.58Å; C560-R567 WeakPolarHBondContact CA-O 3.48Å
561	R	98.8	Very high	98.5	Very high	70 Å²	70	34.2 Å²	34.2	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	175.4	-167	178.2	-179.8	-162.3	-1.3	112.2	Y527 D531 S563 D564 M566 R567 L569	Y527-R561 VanDerWaalsContact CD1-CZ 3.44Å; D531-R561 CarbonylContact O-C 3.57Å; D531-R561 WeakPolarHBondContact O-CA 3.48Å; D531-R561 WeakPolarHBondContact OD2-CG 3.38Å; D531-R561 IonicContact OD2-CZ 3.65Å; D531-R561 IonicContact OD2-NE 3.19Å; D531-R561 PolarHBondContact OD2-NE 3.48Å; D531-R561 IonicContact OD2-NH2 2.81Å; D531-R561 PolarHBondContact OD2-NH2 3.18Å; R561-S563 PolarHBondContact NE-OG 3.49Å; R561-S563 PolarHBondContact NH2-OG 3.02Å; R561-D564 HydrophobicContact CB-CB 4.44Å; R561-D564 HydrophobicContact CG-CB 4.36Å; R561-M566 WeakPolarHBondContact O-CA 3.3Å; R561-M566 PolarHBondContact O-N 2.88Å; R561-R567 PolarHBondContact N-O 2.96Å; R561-R567 PolarHBondContact O-N 2.93Å; R561-L569 HydrophobicContact CB-CD1 3.76Å; R561-L569 HydrophobicContact CB-CD2 4.32Å; R561-L569 HydrophobicContact CB-CG 4Å; R561-L569 HydrophobicContact CG-CD1 4.42Å
562	K	98.7	Very high	98.7	Very high	67 Å²	67	29.8 Å²	29.8	29%	0.291	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-51.9	-175.4	-65.9	-175.7	-178.1	-177.4	0	113.1	D531 I532 E533 D564 N565 M566	D531-K562 PolarHBondContact O-N 3.42Å; I532-K562 WeakPolarHBondContact O-CE 3.31Å; E533-K562 VanDerWaalsContact CB-CE 3.45Å; E533-K562 HydrophobicContact CB-CG 4.22Å; E533-K562 VanDerWaalsContact OE1-CE 3.31Å; E533-K562 WeakPolarHBondContact OE1-CE 3.42Å; E533-K562 IonicContact OE1-NZ 3.73Å; E533-K562 PolarHBondContact OE1-NZ 3.24Å; E533-K562 WeakPolarHBondContact OE2-CE 3.46Å; E533-K562 IonicContact OE2-NZ 2.68Å; E533-K562 PolarHBondContact OE2-NZ 2.98Å; K562-D564 VanDerWaalsContact C-N 3.28Å; K562-D564 PolarHBondContact O-N 2.89Å; K562-N565 PolarHBondContact O-N 2.78Å; K562-M566 HydrophobicContact CB-CE 4.03Å; K562-M566 HydrophobicContact CB-SD 4.25Å; K562-M566 HydrophobicContact CG-CE 4.17Å; K562-M566 HydrophobicContact CG-SD 3.86Å; K562-M566 WeakPolarHBondContact O-CE 3.47Å
563	S	98.5	Very high	98.8	Very high	80 Å²	80	27.2 Å²	27.2	56%	0.559	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.1	-175.9	61.1	0	0	0	0	114.6	D531 R561	D531-S563 WeakPolarHBondContact OD1-CB 3.46Å; D531-S563 PolarHBondContact OD1-N 2.95Å; D531-S563 PolarHBondContact OD1-OG 3.43Å; D531-S563 PolarHBondContact OD2-OG 3.24Å; R561-S563 PolarHBondContact NE-OG 3.49Å; R561-S563 PolarHBondContact NH2-OG 3.02Å
564	D	98.5	Very high	98.8	Very high	56 Å²	56	25.6 Å²	25.6	30%	0.299	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	54	175.7	-176.1	24.8	0	0	0	110.9	R561 K562 M566 R567	R561-D564 HydrophobicContact CB-CB 4.44Å; R561-D564 HydrophobicContact CG-CB 4.36Å; K562-D564 VanDerWaalsContact C-N 3.28Å; K562-D564 PolarHBondContact O-N 2.89Å; D564-M566 PolarHBondContact O-N 3.2Å; D564-R567 HydrophobicContact CB-CB 4.2Å; D564-R567 VanDerWaalsContact O-CB 3.3Å; D564-R567 WeakPolarHBondContact O-CB 3.31Å; D564-R567 PolarHBondContact O-N 3.39Å; D564-R567 IonicContact OD1-CZ 2.68Å; D564-R567 IonicContact OD1-NE 3.26Å; D564-R567 IonicContact OD1-NH2 2.76Å; D564-R567 PolarHBondContact OD1-NH2 3.07Å; D564-R567 WeakPolarHBondContact OD2-CB 3.35Å; D564-R567 IonicContact OD2-CZ 3.59Å; D564-R567 IonicContact OD2-NE 3.63Å; D564-R567 PolarHBondContact OD2-NE 2.96Å; D564-R567 IonicContact OD2-NH2 2.87Å
565	N	98.5	Very high	98.8	Very high	117 Å²	117	25.6 Å²	25.6	63%	0.626	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.6	173.5	-161.6	35.4	0	0	0	114.2	K562 R567 T594	K562-N565 PolarHBondContact O-N 2.78Å; N565-R567 VanDerWaalsContact C-N 3.27Å; N565-R567 PolarHBondContact O-N 2.92Å; N565-T594 HydrophobicContact CB-CG2 4.5Å; N565-T594 WeakPolarHBondContact O-CB 3.41Å; N565-T594 VanDerWaalsContact O-CG2 3.3Å; N565-T594 WeakPolarHBondContact O-CG2 3.43Å
566	M	98.7	Very high	98.8	Very high	47 Å²	47	27 Å²	27	23%	0.232	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	35	-179.9	-119.7	45.8	51.2	0	0	112.8	E533 Y535 C560 R561 K562 D564 V568 T594 K595	E533-M566 HydrophobicContact CB-SD 4.45Å; Y535-M566 HydrophobicContact CE2-CG 4.31Å; C560-M566 HydrophobicContact CB-CG 4.13Å; C560-M566 HydrophobicContact CB-SD 4.4Å; R561-M566 WeakPolarHBondContact O-CA 3.3Å; R561-M566 PolarHBondContact O-N 2.88Å; K562-M566 HydrophobicContact CB-CE 4.03Å; K562-M566 HydrophobicContact CB-SD 4.25Å; K562-M566 HydrophobicContact CG-CE 4.17Å; K562-M566 HydrophobicContact CG-SD 3.86Å; K562-M566 WeakPolarHBondContact O-CE 3.47Å; D564-M566 PolarHBondContact O-N 3.2Å; M566-V568 PolarHBondContact O-N 3.21Å; M566-T594 CarbonylContact O-C 3.44Å; M566-T594 WeakPolarHBondContact O-CA 3.46Å; M566-K595 HydrophobicContact CB-CB 3.94Å; M566-K595 HydrophobicContact CG-CB 3.98Å; M566-K595 PolarHBondContact O-N 3.02Å
567	R	98.8	Very high	98.8	Very high	69 Å²	69	31.7 Å²	31.7	26%	0.26	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	129.9	174.5	-164.7	73.6	61.6	-162.4	-6	110.4	C560 R561 D564 N565 L569 G592	C560-R567 CarbonylContact C-O 3.58Å; C560-R567 WeakPolarHBondContact CA-O 3.48Å; R561-R567 PolarHBondContact N-O 2.96Å; R561-R567 PolarHBondContact O-N 2.93Å; D564-R567 HydrophobicContact CB-CB 4.2Å; D564-R567 VanDerWaalsContact O-CB 3.3Å; D564-R567 WeakPolarHBondContact O-CB 3.31Å; D564-R567 PolarHBondContact O-N 3.39Å; D564-R567 IonicContact OD1-CZ 2.68Å; D564-R567 IonicContact OD1-NE 3.26Å; D564-R567 IonicContact OD1-NH2 2.76Å; D564-R567 PolarHBondContact OD1-NH2 3.07Å; D564-R567 WeakPolarHBondContact OD2-CB 3.35Å; D564-R567 IonicContact OD2-CZ 3.59Å; D564-R567 IonicContact OD2-NE 3.63Å; D564-R567 PolarHBondContact OD2-NE 2.96Å; D564-R567 IonicContact OD2-NH2 2.87Å; N565-R567 VanDerWaalsContact C-N 3.27Å; N565-R567 PolarHBondContact O-N 2.92Å; R567-L569 HydrophobicContact CG-CD2 4.38Å; R567-L569 PolarHBondContact O-N 3.33Å; R567-G592 VanDerWaalsContact CD-O 3.25Å; R567-G592 WeakPolarHBondContact CD-O 3.32Å; R567-G592 PolarHBondContact NH1-O 3.17Å
568	V	98.9	Very high	98.8	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	108.1	174.1	-179.3	0	0	0	0	108.4	L558 M566 I589 A593 F598	L558-V568 HydrophobicContact CD2-CG1 3.94Å; M566-V568 PolarHBondContact O-N 3.21Å; V568-I589 HydrophobicContact CG1-CD1 4.24Å; V568-I589 HydrophobicContact CG1-CG1 4.16Å; V568-A593 PolarHBondContact N-O 3.03Å; V568-F598 HydrophobicContact CB-CE2 4.42Å; V568-F598 HydrophobicContact CG2-CD2 4.05Å; V568-F598 HydrophobicContact CG2-CE2 3.73Å; V568-F598 HydrophobicContact CG2-CZ 4.47Å
569	L	98.8	Very high	98.8	Very high	20 Å²	20	32.2 Å²	32.2	11%	0.105	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-28.4	177.7	-60.1	-177.7	0	0	0	112.4	G517 L518 A523 Y527 I532 V559 R561 R567	G517-L569 CarbonylContact C-O 3.59Å; G517-L569 VanDerWaalsContact CA-O 3.32Å; G517-L569 WeakPolarHBondContact CA-O 3.38Å; L518-L569 HydrophobicContact CD1-CB 4.43Å; L518-L569 PolarHBondContact N-O 3.45Å; A523-L569 HydrophobicContact CB-CD1 4.34Å; Y527-L569 HydrophobicContact CD2-CD1 3.47Å; Y527-L569 VanDerWaalsContact CD2-CD1 3.47Å; Y527-L569 HydrophobicContact CE2-CD1 3.42Å; Y527-L569 VanDerWaalsContact CE2-CD1 3.42Å; Y527-L569 HydrophobicContact CE2-CD2 4.28Å; Y527-L569 HydrophobicContact CE2-CG 4.47Å; Y527-L569 HydrophobicContact CG-CD1 4.48Å; I532-L569 HydrophobicContact CD1-CD1 3.83Å; V559-L569 PolarHBondContact O-N 3.03Å; R561-L569 HydrophobicContact CB-CD1 3.76Å; R561-L569 HydrophobicContact CB-CD2 4.32Å; R561-L569 HydrophobicContact CB-CG 4Å; R561-L569 HydrophobicContact CG-CD1 4.42Å; R567-L569 HydrophobicContact CG-CD2 4.38Å; R567-L569 PolarHBondContact O-N 3.33Å
570	G	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.8	-177.8	0	0	0	0	0	111.4	C516 L518 L558 V559	C516-G570 CarbonylContact O-C 3.54Å; C516-G570 WeakPolarHBondContact O-CA 3.35Å; L518-G570 WeakPolarHBondContact O-CA 3.42Å; L558-G570 WeakPolarHBondContact CA-O 3.41Å; V559-G570 PolarHBondContact N-O 3.3Å; V559-G570 PolarHBondContact O-N 3.39Å
571	L	98.9	Very high	98.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	171.6	178.4	155.3	0	0	0	108.4	A515 C516 L558 T582 Y585 I589 F598 F612	A515-L571 CarbonylContact C-O 3.55Å; A515-L571 VanDerWaalsContact CA-O 3.23Å; A515-L571 WeakPolarHBondContact CA-O 3.28Å; C516-L571 PolarHBondContact N-O 3.37Å; C516-L571 PolarHBondContact O-N 2.86Å; L558-L571 HydrophobicContact CD2-CB 3.86Å; L558-L571 HydrophobicContact CD2-CD1 3.74Å; L558-L571 HydrophobicContact CD2-CG 3.76Å; L571-T582 HydrophobicContact CD2-CG2 4.26Å; L571-Y585 HydrophobicContact CD1-CD1 4.2Å; L571-Y585 HydrophobicContact CD1-CD2 3.75Å; L571-Y585 HydrophobicContact CD1-CG 3.55Å; L571-I589 HydrophobicContact CB-CD1 3.83Å; L571-I589 HydrophobicContact CD1-CD1 4.41Å; L571-F598 HydrophobicContact CD1-CE1 4Å; L571-F598 HydrophobicContact CD1-CZ 4.07Å; L571-F612 HydrophobicContact CD1-CD1 4.23Å; L571-F612 HydrophobicContact CD1-CE1 3.87Å; L571-F612 HydrophobicContact CD1-CE2 4.33Å; L571-F612 HydrophobicContact CD1-CZ 3.91Å; L571-F612 HydrophobicContact CD2-CE1 4.17Å; L571-F612 HydrophobicContact CD2-CE2 4.11Å; L571-F612 HydrophobicContact CD2-CZ 3.55Å; L571-F612 HydrophobicContact CG-CD1 4.46Å; L571-F612 HydrophobicContact CG-CE1 3.63Å; L571-F612 HydrophobicContact CG-CE2 4.35Å; L571-F612 HydrophobicContact CG-CZ 3.55Å
572	H	99	Very high	98.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.3	-179	-56	-91.4	0	0	0	110.4	D359 M362 Y513 G514 L518 M556 K557	D359-H572 IonicContact OD2-CE1 3.95Å; D359-H572 IonicContact OD2-NE2 2.71Å; M362-H572 HydrophobicContact CE-CB 4.18Å; M362-H572 HydrophobicContact CG-CB 3.97Å; M362-H572 HydrophobicContact SD-CB 4.04Å; Y513-H572 HydrophobicContact CE2-CB 4.05Å; Y513-H572 AromaticContact CE2-ND1 3.92Å; Y513-H572 AromaticContact CZ-ND1 3.83Å; Y513-H572 PolarHBondContact OH-ND1 3.12Å; G514-H572 CarbonylContact O-C 3.56Å; G514-H572 WeakPolarHBondContact O-CA 3.37Å; L518-H572 PolarHBondContact O-NE2 3.41Å; L518-H572 VanDerWaalsContact O-NE2 3.08Å; M556-H572 CarbonylContact C-O 3.55Å; M556-H572 WeakPolarHBondContact CA-O 3.34Å; M556-H572 WeakPolarHBondContact CB-O 3.21Å; K557-H572 HydrophobicContact CG-CB 3.85Å; K557-H572 PolarHBondContact N-O 3.15Å; K557-H572 PolarHBondContact O-N 3.16Å
573	V	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126.1	176.3	56.9	0	0	0	0	110.8	Y513 G514 F539 Y555 M556 A578 I581 T582 F612	Y513-V573 CarbonylContact C-O 3.58Å; Y513-V573 WeakPolarHBondContact CA-O 3.4Å; Y513-V573 WeakPolarHBondContact CD2-O 3.19Å; G514-V573 PolarHBondContact N-O 2.84Å; G514-V573 PolarHBondContact O-N 2.96Å; F539-V573 HydrophobicContact CE1-CG2 4.17Å; F539-V573 HydrophobicContact CZ-CG2 4.02Å; Y555-V573 CarbonylContact O-C 3.59Å; Y555-V573 WeakPolarHBondContact O-CA 3.36Å; M556-V573 HydrophobicContact CB-CB 4.21Å; M556-V573 HydrophobicContact CB-CG2 4.23Å; M556-V573 HydrophobicContact CE-CG2 4.31Å; V573-A578 HydrophobicContact CG1-CB 4.19Å; V573-I581 HydrophobicContact CG1-CB 4.49Å; V573-I581 HydrophobicContact CG1-CG2 4.1Å; V573-I581 HydrophobicContact CG2-CD1 4.33Å; V573-I581 HydrophobicContact CG2-CG2 4.46Å; V573-T582 WeakPolarHBondContact CG1-OG1 3.46Å; V573-F612 HydrophobicContact CB-CE2 3.97Å; V573-F612 HydrophobicContact CB-CZ 3.9Å; V573-F612 HydrophobicContact CG1-CE2 4.38Å; V573-F612 HydrophobicContact CG2-CE2 4.37Å
574	L	99	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.1	167.7	176.6	68.4	0	0	0	107.9	M362 K365 V366 L511 E512 C554 Y555	M362-L574 HydrophobicContact CE-CB 3.65Å; K365-L574 HydrophobicContact CB-CD2 3.51Å; K365-L574 HydrophobicContact CD-CD2 4.41Å; V366-L574 HydrophobicContact CG2-CD1 3.74Å; L511-L574 HydrophobicContact CB-CD1 4.12Å; L511-L574 HydrophobicContact CD2-CD1 4.04Å; L511-L574 HydrophobicContact CD2-CD2 4.18Å; L511-L574 HydrophobicContact CD2-CG 3.74Å; L511-L574 HydrophobicContact CG-CD1 3.87Å; L511-L574 HydrophobicContact CG-CG 4.03Å; E512-L574 WeakPolarHBondContact O-CA 3.46Å; C554-L574 VanDerWaalsContact CA-O 3.31Å; C554-L574 WeakPolarHBondContact CA-O 3.38Å; C554-L574 WeakPolarHBondContact CB-O 3.41Å; Y555-L574 PolarHBondContact N-O 3.35Å; Y555-L574 PolarHBondContact O-N 3.1Å
575	G	98.8	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	172	176	-176.4	0	0	0	0	0	112.8	E512	E512-G575 WeakPolarHBondContact CB-O 3.49Å; E512-G575 PolarHBondContact N-O 2.64Å; E512-G575 PolarHBondContact O-N 3.48Å; E512-G575 VanDerWaalsContact O-O 3.09Å
576	P	98.6	Very high	98.8	Very high	30 Å²	30	31.3 Å²	31.3	20%	0.195	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	147.3	174.9	28.8	-34.9	0	0	0	111.2	P541 A578	P541-P576 HydrophobicContact CB-CG 4.2Å; P541-P576 HydrophobicContact CG-CG 3.58Å; P576-A578 PolarHBondContact O-N 3.5Å
577	N	98.6	Very high	98.8	Very high	99 Å²	99	33.2 Å²	33.2	53%	0.529	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	33.6	177.3	-49.8	-63.1	0	0	0	113.8	E512 G579 E580 I581	E512-N577 WeakPolarHBondContact OE2-CA 3.3Å; E512-N577 PolarHBondContact OE2-N 3.18Å; N577-G579 PolarHBondContact O-N 3.02Å; N577-G579 VanDerWaalsContact O-N 3.14Å; N577-E580 HydrophobicContact CB-CB 4.43Å; N577-E580 HydrophobicContact CB-CG 4.28Å; N577-E580 PolarHBondContact O-N 3.36Å; N577-I581 WeakPolarHBondContact O-CG1 3.2Å; N577-I581 PolarHBondContact O-N 2.81Å; N577-I581 VanDerWaalsContact O-N 3.1Å
578	A	98.8	Very high	98.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-27.7	-173.3	0	0	0	0	0	112.9	T506 E512 V573 P576 T582	T506-A578 HydrophobicContact CG2-CB 4.21Å; E512-A578 HydrophobicContact CB-CB 3.61Å; E512-A578 WeakPolarHBondContact O-CB 3.29Å; E512-A578 PolarHBondContact OE2-N 3.34Å; V573-A578 HydrophobicContact CG1-CB 4.19Å; P576-A578 PolarHBondContact O-N 3.5Å; A578-T582 VanDerWaalsContact O-CB 3.28Å; A578-T582 WeakPolarHBondContact O-CB 3.48Å; A578-T582 PolarHBondContact O-N 2.92Å; A578-T582 PolarHBondContact O-OG1 3Å
579	G	98.5	Very high	98.8	Very high	12 Å²	12	31.4 Å²	31.4	12%	0.124	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-44.3	172.7	0	0	0	0	0	113.1	T506 N577 T582 Q583	T506-G579 WeakPolarHBondContact OG1-CA 3.33Å; N577-G579 PolarHBondContact O-N 3.02Å; N577-G579 VanDerWaalsContact O-N 3.14Å; G579-T582 PolarHBondContact O-N 3.09Å; G579-Q583 WeakPolarHBondContact O-CB 3.46Å; G579-Q583 PolarHBondContact O-N 3.24Å
580	E	98.7	Very high	98.7	Very high	131 Å²	131	34.6 Å²	34.6	61%	0.612	20%	0.195	S	C	*	.	H	α-helix	trans	-69.8	-38.3	-179.6	-46.7	-51.8	158.3	0	0	110.9	K197 N577	K197-E580 IonicContact NZ-OE1 2.85Å; N577-E580 HydrophobicContact CB-CB 4.43Å; N577-E580 HydrophobicContact CB-CG 4.28Å; N577-E580 PolarHBondContact O-N 3.36Å
581	I	98.8	Very high	98.7	Very high	15 Å²	15	42 Å²	42	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-50.6	173.9	-63.6	171.4	0	0	0	110.7	V573 N577 Q583 Y585 C608 F612	V573-I581 HydrophobicContact CG1-CB 4.49Å; V573-I581 HydrophobicContact CG1-CG2 4.1Å; V573-I581 HydrophobicContact CG2-CD1 4.33Å; V573-I581 HydrophobicContact CG2-CG2 4.46Å; N577-I581 WeakPolarHBondContact O-CG1 3.2Å; N577-I581 PolarHBondContact O-N 2.81Å; N577-I581 VanDerWaalsContact O-N 3.1Å; I581-Q583 PolarHBondContact O-N 3.19Å; I581-Y585 HydrophobicContact CG2-CE2 4.21Å; I581-Y585 WeakPolarHBondContact O-CD2 3.37Å; I581-Y585 WeakPolarHBondContact O-CE2 3.31Å; I581-C608 HydrophobicContact CD1-CB 3.74Å; I581-F612 HydrophobicContact CG2-CD2 4.21Å; I581-F612 HydrophobicContact CG2-CE2 3.84Å
582	T	98.9	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-34.2	-169.5	-57	0	0	0	0	112.9	A504 G514 C516 L571 V573 A578 G579 G584 Y585 A586	A504-T582 HydrophobicContact CB-CG2 4Å; G514-T582 WeakPolarHBondContact CA-OG1 3.46Å; C516-T582 HydrophobicContact CB-CG2 4.08Å; L571-T582 HydrophobicContact CD2-CG2 4.26Å; V573-T582 WeakPolarHBondContact CG1-OG1 3.46Å; A578-T582 VanDerWaalsContact O-CB 3.28Å; A578-T582 WeakPolarHBondContact O-CB 3.48Å; A578-T582 PolarHBondContact O-N 2.92Å; A578-T582 PolarHBondContact O-OG1 3Å; G579-T582 PolarHBondContact O-N 3.09Å; T582-G584 PolarHBondContact O-N 3.41Å; T582-Y585 PolarHBondContact O-N 3.49Å; T582-A586 PolarHBondContact O-N 2.97Å
583	Q	98.8	Very high	98.7	Very high	122 Å²	122	43.1 Å²	43.1	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-59.2	-41.9	-168.8	178.8	59.5	88.7	0	0	113.6	G579 I581 A586	G579-Q583 WeakPolarHBondContact O-CB 3.46Å; G579-Q583 PolarHBondContact O-N 3.24Å; I581-Q583 PolarHBondContact O-N 3.19Å; Q583-A586 WeakPolarHBondContact O-CB 3.39Å; Q583-A586 PolarHBondContact O-N 3.05Å
584	G	98.5	Very high	98.7	Very high	51 Å²	51	43.5 Å²	43.5	53%	0.526	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-41.5	179.8	0	0	0	0	0	112.6	T582 A586 V587	T582-G584 PolarHBondContact O-N 3.41Å; G584-A586 VanDerWaalsContact C-N 3.28Å; G584-A586 PolarHBondContact O-N 3.43Å; G584-V587 WeakPolarHBondContact O-CB 3.17Å; G584-V587 PolarHBondContact O-N 3.09Å
585	Y	98.8	Very high	98.7	Very high	38 Å²	38	44 Å²	44	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-25.4	179.9	-62.3	-69	0	0	0	113.4	L571 I581 T582 V587 A588 I589 F598 S609 F612	L571-Y585 HydrophobicContact CD1-CD1 4.2Å; L571-Y585 HydrophobicContact CD1-CD2 3.75Å; L571-Y585 HydrophobicContact CD1-CG 3.55Å; I581-Y585 HydrophobicContact CG2-CE2 4.21Å; I581-Y585 WeakPolarHBondContact O-CD2 3.37Å; I581-Y585 WeakPolarHBondContact O-CE2 3.31Å; T582-Y585 PolarHBondContact O-N 3.49Å; Y585-V587 PolarHBondContact O-N 3.25Å; Y585-A588 PolarHBondContact O-N 3.46Å; Y585-A588 VanDerWaalsContact O-N 3.1Å; Y585-I589 WeakPolarHBondContact O-CB 3.47Å; Y585-I589 WeakPolarHBondContact O-CG1 3.46Å; Y585-I589 PolarHBondContact O-N 3.07Å; Y585-F598 HydrophobicContact CD1-CD1 4.25Å; Y585-F598 AromaticContact CD1-CE1 3.3Å; Y585-F598 HydrophobicContact CD1-CE1 3.3Å; Y585-F598 AromaticContact CD1-CZ 3.55Å; Y585-F598 HydrophobicContact CD1-CZ 3.55Å; Y585-F598 AromaticContact CE1-CD1 3.97Å; Y585-F598 HydrophobicContact CE1-CD1 3.97Å; Y585-F598 AromaticContact CE1-CE1 3.42Å; Y585-F598 HydrophobicContact CE1-CE1 3.42Å; Y585-F598 VanDerWaalsContact CE1-CE1 3.42Å; Y585-F598 HydrophobicContact CE1-CZ 4.13Å; Y585-F598 HydrophobicContact CG-CE1 4.14Å; Y585-F598 HydrophobicContact CG-CZ 4.28Å; Y585-S609 WeakPolarHBondContact CE2-OG 3.16Å; Y585-S609 PolarHBondContact OH-O 3.17Å; Y585-S609 PolarHBondContact OH-OG 2.96Å; Y585-S609 VanDerWaalsContact OH-OG 3.04Å; Y585-F612 HydrophobicContact CD2-CD2 4.38Å; Y585-F612 HydrophobicContact CE1-CB 4.37Å; Y585-F612 HydrophobicContact CE2-CB 4.46Å; Y585-F612 AromaticContact CE2-CD2 3.64Å; Y585-F612 HydrophobicContact CE2-CD2 3.64Å; Y585-F612 HydrophobicContact CE2-CE2 4.19Å; Y585-F612 HydrophobicContact CE2-CG 4.24Å; Y585-F612 AromaticContact CZ-CD2 3.94Å
586	A	98.8	Very high	98.7	Very high	13 Å²	13	46.7 Å²	46.7	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-33.6	174.6	0	0	0	0	0	112.3	A504 T582 Q583 G584 K590	A504-A586 HydrophobicContact CB-CB 3.96Å; T582-A586 PolarHBondContact O-N 2.97Å; Q583-A586 WeakPolarHBondContact O-CB 3.39Å; Q583-A586 PolarHBondContact O-N 3.05Å; G584-A586 VanDerWaalsContact C-N 3.28Å; G584-A586 PolarHBondContact O-N 3.43Å; A586-K590 VanDerWaalsContact O-CB 3.31Å; A586-K590 WeakPolarHBondContact O-CB 3.45Å; A586-K590 PolarHBondContact O-N 3.11Å
587	V	98.7	Very high	98.7	Very high	87 Å²	87	47.2 Å²	47.2	53%	0.527	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-46.8	173.9	-179.9	0	0	0	0	110.7	G584 Y585 I589 K590 M591	G584-V587 WeakPolarHBondContact O-CB 3.17Å; G584-V587 PolarHBondContact O-N 3.09Å; Y585-V587 PolarHBondContact O-N 3.25Å; V587-I589 PolarHBondContact O-N 3.44Å; V587-K590 WeakPolarHBondContact O-CB 3.24Å; V587-K590 PolarHBondContact O-N 3.48Å; V587-M591 HydrophobicContact CG1-SD 4.18Å; V587-M591 WeakPolarHBondContact O-CG 3.4Å; V587-M591 PolarHBondContact O-N 2.78Å
588	A	98.7	Very high	98.7	Very high	31 Å²	31	42.8 Å²	42.8	26%	0.256	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-44.2	178.5	0	0	0	0	0	111.6	Y585 K590 M591 G592 A593	Y585-A588 PolarHBondContact O-N 3.46Å; Y585-A588 VanDerWaalsContact O-N 3.1Å; A588-K590 VanDerWaalsContact C-N 3.32Å; A588-K590 PolarHBondContact O-N 3.11Å; A588-M591 CarbonylContact O-C 3.55Å; A588-M591 WeakPolarHBondContact O-CB 3.1Å; A588-M591 PolarHBondContact O-N 3.26Å; A588-M591 VanDerWaalsContact O-N 3.12Å; A588-G592 PolarHBondContact O-N 3.23Å; A588-A593 HydrophobicContact CB-CB 3.93Å; A588-A593 VanDerWaalsContact O-CB 3.26Å; A588-A593 WeakPolarHBondContact O-CB 3.25Å; A588-A593 PolarHBondContact O-N 3.46Å
589	I	98.8	Very high	98.7	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-39.6	175.5	-68.7	166.5	0	0	0	110.6	N502 C516 V568 L571 Y585 V587 M591 G592	N502-I589 HydrophobicContact CB-CG2 4.03Å; C516-I589 HydrophobicContact CB-CD1 3.99Å; V568-I589 HydrophobicContact CG1-CD1 4.24Å; V568-I589 HydrophobicContact CG1-CG1 4.16Å; L571-I589 HydrophobicContact CB-CD1 3.83Å; L571-I589 HydrophobicContact CD1-CD1 4.41Å; Y585-I589 WeakPolarHBondContact O-CB 3.47Å; Y585-I589 WeakPolarHBondContact O-CG1 3.46Å; Y585-I589 PolarHBondContact O-N 3.07Å; V587-I589 PolarHBondContact O-N 3.44Å; I589-M591 VanDerWaalsContact C-N 3.28Å; I589-M591 PolarHBondContact O-N 3.37Å; I589-G592 WeakPolarHBondContact O-CA 3.31Å; I589-G592 PolarHBondContact O-N 2.95Å
590	K	98.3	Very high	98.7	Very high	86 Å²	86	54.9 Å²	54.9	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-37.2	173.7	-174.7	59.4	57.3	-179.2	0	112.6	D499 S501 A586 V587 A588 G592	D499-K590 IonicContact OD1-NZ 3.47Å; D499-K590 PolarHBondContact OD1-NZ 3.39Å; D499-K590 WeakPolarHBondContact OD2-CD 3.42Å; D499-K590 WeakPolarHBondContact OD2-CE 3.49Å; D499-K590 IonicContact OD2-NZ 2.75Å; D499-K590 PolarHBondContact OD2-NZ 3.38Å; S501-K590 PolarHBondContact O-NZ 2.94Å; S501-K590 PolarHBondContact OG-NZ 3.22Å; A586-K590 VanDerWaalsContact O-CB 3.31Å; A586-K590 WeakPolarHBondContact O-CB 3.45Å; A586-K590 PolarHBondContact O-N 3.11Å; V587-K590 WeakPolarHBondContact O-CB 3.24Å; V587-K590 PolarHBondContact O-N 3.48Å; A588-K590 VanDerWaalsContact C-N 3.32Å; A588-K590 PolarHBondContact O-N 3.11Å; K590-G592 PolarHBondContact O-N 3.15Å
591	M	98.6	Very high	98.7	Very high	157 Å²	157	52.2 Å²	52.2	77%	0.773	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	0	174	-64.5	170.6	64.7	0	0	113.3	V587 A588 I589	V587-M591 HydrophobicContact CG1-SD 4.18Å; V587-M591 WeakPolarHBondContact O-CG 3.4Å; V587-M591 PolarHBondContact O-N 2.78Å; A588-M591 CarbonylContact O-C 3.55Å; A588-M591 WeakPolarHBondContact O-CB 3.1Å; A588-M591 PolarHBondContact O-N 3.26Å; A588-M591 VanDerWaalsContact O-N 3.12Å; I589-M591 VanDerWaalsContact C-N 3.28Å; I589-M591 PolarHBondContact O-N 3.37Å
592	G	98.6	Very high	98.7	Very high	20 Å²	20	58.8 Å²	58.8	21%	0.206	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	41.8	-177.5	0	0	0	0	0	113	R567 A588 I589 K590	R567-G592 VanDerWaalsContact CD-O 3.25Å; R567-G592 WeakPolarHBondContact CD-O 3.32Å; R567-G592 PolarHBondContact NH1-O 3.17Å; A588-G592 PolarHBondContact O-N 3.23Å; I589-G592 WeakPolarHBondContact O-CA 3.31Å; I589-G592 PolarHBondContact O-N 2.95Å; K590-G592 PolarHBondContact O-N 3.15Å
593	A	98.7	Very high	98.7	Very high	7 Å²	7	60 Å²	60	6%	0.058	34%	0.336	C	S	.	.			trans	-55.1	142.9	177.6	0	0	0	0	0	113.2	V568 A588 D597 F598	V568-A593 PolarHBondContact N-O 3.03Å; A588-A593 HydrophobicContact CB-CB 3.93Å; A588-A593 VanDerWaalsContact O-CB 3.26Å; A588-A593 WeakPolarHBondContact O-CB 3.25Å; A588-A593 PolarHBondContact O-N 3.46Å; A593-D597 HydrophobicContact CB-CB 4.37Å; A593-F598 HydrophobicContact CB-CD2 4.45Å; A593-F598 HydrophobicContact CB-CE2 3.9Å
594	T	98.9	Very high	98.7	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.049	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-106	164.7	172.7	65.3	0	0	0	0	110.3	N565 M566 A596 D597 F598	N565-T594 HydrophobicContact CB-CG2 4.5Å; N565-T594 WeakPolarHBondContact O-CB 3.41Å; N565-T594 VanDerWaalsContact O-CG2 3.3Å; N565-T594 WeakPolarHBondContact O-CG2 3.43Å; M566-T594 CarbonylContact O-C 3.44Å; M566-T594 WeakPolarHBondContact O-CA 3.46Å; T594-A596 PolarHBondContact O-N 3Å; T594-A596 PolarHBondContact OG1-N 3.43Å; T594-D597 WeakPolarHBondContact CB-OD2 3.37Å; T594-D597 PolarHBondContact N-OD2 3.31Å; T594-D597 WeakPolarHBondContact O-CB 3.07Å; T594-D597 PolarHBondContact O-N 3.33Å; T594-D597 PolarHBondContact OG1-N 3.35Å; T594-D597 PolarHBondContact OG1-OD2 2.99Å; T594-F598 WeakPolarHBondContact O-CD2 3.1Å; T594-F598 PolarHBondContact O-N 3.13Å
595	K	98.9	Very high	98.7	Very high	9 Å²	9	65.3 Å²	65.3	4%	0.039	35%	0.349	C	S	.	.	H	α-helix	trans	-54.2	-35.9	171.7	-177.9	55.7	168.4	65.8	0	112.6	Y535 L558 M566 D597 F598 D599 L615	Y535-K595 HydrophobicContact CD2-CD 4.17Å; Y535-K595 HydrophobicContact CD2-CG 4.3Å; Y535-K595 HydrophobicContact CE1-CG 4.47Å; Y535-K595 HydrophobicContact CE2-CD 4.35Å; Y535-K595 HydrophobicContact CE2-CG 3.97Å; Y535-K595 HydrophobicContact CG-CD 4.28Å; L558-K595 HydrophobicContact CD1-CD 4.07Å; M566-K595 HydrophobicContact CB-CB 3.94Å; M566-K595 HydrophobicContact CG-CB 3.98Å; M566-K595 PolarHBondContact O-N 3.02Å; K595-D597 VanDerWaalsContact C-N 3.25Å; K595-D597 PolarHBondContact O-N 2.99Å; K595-F598 WeakPolarHBondContact O-CB 3.18Å; K595-F598 PolarHBondContact O-N 2.75Å; K595-F598 VanDerWaalsContact O-N 3.15Å; K595-D599 IonicContact NZ-OD1 3.68Å; K595-D599 PolarHBondContact NZ-OD1 3.09Å; K595-D599 IonicContact NZ-OD2 3.81Å; K595-D599 PolarHBondContact NZ-OD2 3.47Å; K595-D599 PolarHBondContact O-N 3.41Å; K595-L615 WeakPolarHBondContact CE-O 3.07Å; K595-L615 PolarHBondContact NZ-O 3.43Å
596	A	98.8	Very high	98.6	Very high	58 Å²	58	66.6 Å²	66.6	48%	0.479	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-30.2	176.1	0	0	0	0	0	113	T594 D599 R600	T594-A596 PolarHBondContact O-N 3Å; T594-A596 PolarHBondContact OG1-N 3.43Å; A596-D599 PolarHBondContact O-N 2.67Å; A596-R600 WeakPolarHBondContact O-CB 3.44Å; A596-R600 WeakPolarHBondContact O-CG 3.46Å; A596-R600 PolarHBondContact O-N 2.72Å
597	D	98.8	Very high	98.6	Very high	41 Å²	41	68.7 Å²	68.7	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-70.3	-33.6	175.1	-62.6	-60.2	0	0	0	112.7	A593 T594 K595 R600 T601	A593-D597 HydrophobicContact CB-CB 4.37Å; T594-D597 WeakPolarHBondContact CB-OD2 3.37Å; T594-D597 PolarHBondContact N-OD2 3.31Å; T594-D597 WeakPolarHBondContact O-CB 3.07Å; T594-D597 PolarHBondContact O-N 3.33Å; T594-D597 PolarHBondContact OG1-N 3.35Å; T594-D597 PolarHBondContact OG1-OD2 2.99Å; K595-D597 VanDerWaalsContact C-N 3.25Å; K595-D597 PolarHBondContact O-N 2.99Å; D597-R600 WeakPolarHBondContact O-CG 3.45Å; D597-R600 IonicContact OD1-CZ 3.76Å; D597-R600 IonicContact OD1-NE 2.75Å; D597-R600 PolarHBondContact OD1-NE 3.11Å; D597-R600 IonicContact OD1-NH2 3.07Å; D597-R600 PolarHBondContact OD1-NH2 3.21Å; D597-T601 PolarHBondContact O-OG1 3Å
598	F	98.8	Very high	98.6	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-69.1	-45.1	172.6	-79.2	-111.3	0	0	0	110.6	L558 V568 L571 Y585 A593 T594 K595 R600 T601 F612	L558-F598 HydrophobicContact CD1-CD1 3.78Å; L558-F598 HydrophobicContact CD1-CD2 4.5Å; L558-F598 HydrophobicContact CD1-CE1 4.03Å; L558-F598 HydrophobicContact CD1-CG 4.03Å; L558-F598 HydrophobicContact CD2-CE1 3.99Å; L558-F598 HydrophobicContact CD2-CZ 4.18Å; V568-F598 HydrophobicContact CB-CE2 4.42Å; V568-F598 HydrophobicContact CG2-CD2 4.05Å; V568-F598 HydrophobicContact CG2-CE2 3.73Å; V568-F598 HydrophobicContact CG2-CZ 4.47Å; L571-F598 HydrophobicContact CD1-CE1 4Å; L571-F598 HydrophobicContact CD1-CZ 4.07Å; Y585-F598 HydrophobicContact CD1-CD1 4.25Å; Y585-F598 AromaticContact CD1-CE1 3.3Å; Y585-F598 HydrophobicContact CD1-CE1 3.3Å; Y585-F598 AromaticContact CD1-CZ 3.55Å; Y585-F598 HydrophobicContact CD1-CZ 3.55Å; Y585-F598 AromaticContact CE1-CD1 3.97Å; Y585-F598 HydrophobicContact CE1-CD1 3.97Å; Y585-F598 AromaticContact CE1-CE1 3.42Å; Y585-F598 HydrophobicContact CE1-CE1 3.42Å; Y585-F598 VanDerWaalsContact CE1-CE1 3.42Å; Y585-F598 HydrophobicContact CE1-CZ 4.13Å; Y585-F598 HydrophobicContact CG-CE1 4.14Å; Y585-F598 HydrophobicContact CG-CZ 4.28Å; A593-F598 HydrophobicContact CB-CD2 4.45Å; A593-F598 HydrophobicContact CB-CE2 3.9Å; T594-F598 WeakPolarHBondContact O-CD2 3.1Å; T594-F598 PolarHBondContact O-N 3.13Å; K595-F598 WeakPolarHBondContact O-CB 3.18Å; K595-F598 PolarHBondContact O-N 2.75Å; K595-F598 VanDerWaalsContact O-N 3.15Å; F598-R600 PolarHBondContact O-N 3.09Å; F598-T601 WeakPolarHBondContact O-CB 3.11Å; F598-T601 PolarHBondContact O-N 3.12Å; F598-T601 VanDerWaalsContact O-N 3.13Å; F598-F612 HydrophobicContact CD1-CB 4.17Å; F598-F612 HydrophobicContact CE1-CB 4.35Å; F598-F612 HydrophobicContact CE1-CD1 4.48Å
599	D	98.7	Very high	98.6	Very high	81 Å²	81	65.3 Å²	65.3	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-33.9	-176.7	-67.6	-19.6	0	0	0	113.5	K595 A596 T601	K595-D599 IonicContact NZ-OD1 3.68Å; K595-D599 PolarHBondContact NZ-OD1 3.09Å; K595-D599 IonicContact NZ-OD2 3.81Å; K595-D599 PolarHBondContact NZ-OD2 3.47Å; K595-D599 PolarHBondContact O-N 3.41Å; A596-D599 PolarHBondContact O-N 2.67Å; D599-T601 VanDerWaalsContact C-N 3.25Å; D599-T601 PolarHBondContact O-N 2.85Å
600	R	98.4	Very high	98.6	Very high	184 Å²	184	66.9 Å²	66.9	69%	0.694	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.1	176	73.5	-170.1	177.4	108.7	-3.3	113.3	A596 D597 F598	A596-R600 WeakPolarHBondContact O-CB 3.44Å; A596-R600 WeakPolarHBondContact O-CG 3.46Å; A596-R600 PolarHBondContact O-N 2.72Å; D597-R600 WeakPolarHBondContact O-CG 3.45Å; D597-R600 IonicContact OD1-CZ 3.76Å; D597-R600 IonicContact OD1-NE 2.75Å; D597-R600 PolarHBondContact OD1-NE 3.11Å; D597-R600 IonicContact OD1-NH2 3.07Å; D597-R600 PolarHBondContact OD1-NH2 3.21Å; F598-R600 PolarHBondContact O-N 3.09Å
601	T	98.8	Very high	98.6	Very high	76 Å²	76	64 Å²	64	47%	0.466	35%	0.349	S	S	.	.	S	Bend	trans	-84.5	125.9	179.7	-61.2	0	0	0	0	109.1	D597 F598 D599 T613	D597-T601 PolarHBondContact O-OG1 3Å; F598-T601 WeakPolarHBondContact O-CB 3.11Å; F598-T601 PolarHBondContact O-N 3.12Å; F598-T601 VanDerWaalsContact O-N 3.13Å; D599-T601 VanDerWaalsContact C-N 3.25Å; D599-T601 PolarHBondContact O-N 2.85Å; T601-T613 HydrophobicContact CG2-CG2 4.38Å; T601-T613 VanDerWaalsContact O-CB 3.3Å; T601-T613 WeakPolarHBondContact O-CB 3.3Å
602	I	98.7	Very high	98.6	Very high	152 Å²	152	56.6 Å²	56.6	78%	0.779	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-79	131.7	178.4	-54.1	-56.7	0	0	0	109.7
603	G	98.2	Very high	98.6	Very high	28 Å²	28	56.4 Å²	56.4	29%	0.289	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-67	152.7	177.8	0	0	0	0	0	113.7
604	I	98.7	Very high	98.6	Very high	131 Å²	131	60.3 Å²	60.3	67%	0.672	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-95.1	123	168.3	-59.3	175.6	0	0	0	107.4	T607 E610	I604-T607 HydrophobicContact CB-CG2 4.16Å; I604-T607 HydrophobicContact CG2-CG2 3.9Å; I604-T607 WeakPolarHBondContact O-CB 3.48Å; I604-T607 VanDerWaalsContact O-CG2 3.24Å; I604-T607 WeakPolarHBondContact O-CG2 3.45Å; I604-T607 PolarHBondContact O-N 3.35Å; I604-T607 PolarHBondContact O-OG1 2.61Å; I604-E610 WeakPolarHBondContact O-CB 3.31Å
605	H	98.1	Very high	98.6	Very high	152 Å²	152	60.1 Å²	60.1	70%	0.704	33%	0.329	S	S	*	.	S	Bend	trans	-116.1	137.2	-172.8	-169.1	67.9	0	0	0	112.2	E610	H605-E610 WeakPolarHBondContact CB-OE2 3.41Å; H605-E610 IonicContact CE1-OE1 3.73Å; H605-E610 IonicContact CG-OE1 3.33Å; H605-E610 IonicContact CG-OE2 3.83Å; H605-E610 VanDerWaalsContact ND1-CD 3.3Å; H605-E610 IonicContact ND1-OE1 2.72Å; H605-E610 PolarHBondContact ND1-OE1 3.35Å; H605-E610 IonicContact ND1-OE2 3.14Å; H605-E610 PolarHBondContact ND1-OE2 3.39Å; H605-E610 VanDerWaalsContact ND1-OE2 3.07Å
606	P	97	Very high	98.5	Very high	65 Å²	65	66.7 Å²	66.7	42%	0.422	36%	0.36	S	S	.	.	S	Bend	cis	-87.9	124.9	-6.7	32.8	-30.9	0	0	0	112.1	L542 E610	L542-P606 HydrophobicContact CB-CB 4.47Å; L542-P606 HydrophobicContact CD2-CB 3.72Å; L542-P606 HydrophobicContact CD2-CG 3.62Å; P606-E610 WeakPolarHBondContact CA-OE1 3.49Å
607	T	98.6	Very high	98.5	Very high	58 Å²	58	64.7 Å²	64.7	36%	0.356	34%	0.342	S	S	.	.			trans	-141.3	155.3	173.3	69.1	0	0	0	0	112.5	I604 S609 E610	I604-T607 HydrophobicContact CB-CG2 4.16Å; I604-T607 HydrophobicContact CG2-CG2 3.9Å; I604-T607 WeakPolarHBondContact O-CB 3.48Å; I604-T607 VanDerWaalsContact O-CG2 3.24Å; I604-T607 WeakPolarHBondContact O-CG2 3.45Å; I604-T607 PolarHBondContact O-N 3.35Å; I604-T607 PolarHBondContact O-OG1 2.61Å; T607-S609 VanDerWaalsContact C-N 3.29Å; T607-S609 PolarHBondContact O-N 2.8Å; T607-E610 PolarHBondContact N-OE1 3.21Å; T607-E610 WeakPolarHBondContact O-CG 3.4Å; T607-E610 PolarHBondContact OG1-N 3.22Å
608	C	98.5	Very high	98.5	Very high	18 Å²	18	63.7 Å²	63.7	12%	0.122	34%	0.337	C	S	.	.	S	Bend	trans	-63.3	-38.7	170.3	-67.2	0	0	0	0	111.6	F539 M556 I581 E610	F539-C608 HydrophobicContact CD2-CB 4.35Å; F539-C608 HydrophobicContact CE2-CB 3.73Å; F539-C608 HydrophobicContact CZ-CB 4.48Å; M556-C608 WeakPolarHBondContact CE-O 3.25Å; I581-C608 HydrophobicContact CD1-CB 3.74Å; C608-E610 VanDerWaalsContact C-N 3.33Å; C608-E610 PolarHBondContact O-N 2.96Å
609	S	98.8	Very high	98.5	Very high	29 Å²	29	66.2 Å²	66.2	20%	0.203	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.6	-29.8	-173	-164.8	0	0	0	0	113.6	Y585 T607 T611 F612	Y585-S609 WeakPolarHBondContact CE2-OG 3.16Å; Y585-S609 PolarHBondContact OH-O 3.17Å; Y585-S609 PolarHBondContact OH-OG 2.96Å; Y585-S609 VanDerWaalsContact OH-OG 3.04Å; T607-S609 VanDerWaalsContact C-N 3.29Å; T607-S609 PolarHBondContact O-N 2.8Å; S609-T611 PolarHBondContact O-N 3.46Å; S609-T611 VanDerWaalsContact O-N 3.16Å; S609-F612 WeakPolarHBondContact O-CB 3.46Å; S609-F612 PolarHBondContact O-N 2.99Å
610	E	98.7	Very high	98.5	Very high	39 Å²	39	66.8 Å²	66.8	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24.1	-175.6	77.5	-172.2	120.8	0	0	113.3	I604 H605 P606 T607 C608 F612 T613	I604-E610 WeakPolarHBondContact O-CB 3.31Å; H605-E610 WeakPolarHBondContact CB-OE2 3.41Å; H605-E610 IonicContact CE1-OE1 3.73Å; H605-E610 IonicContact CG-OE1 3.33Å; H605-E610 IonicContact CG-OE2 3.83Å; H605-E610 VanDerWaalsContact ND1-CD 3.3Å; H605-E610 IonicContact ND1-OE1 2.72Å; H605-E610 PolarHBondContact ND1-OE1 3.35Å; H605-E610 IonicContact ND1-OE2 3.14Å; H605-E610 PolarHBondContact ND1-OE2 3.39Å; H605-E610 VanDerWaalsContact ND1-OE2 3.07Å; P606-E610 WeakPolarHBondContact CA-OE1 3.49Å; T607-E610 PolarHBondContact N-OE1 3.21Å; T607-E610 WeakPolarHBondContact O-CG 3.4Å; T607-E610 PolarHBondContact OG1-N 3.22Å; C608-E610 VanDerWaalsContact C-N 3.33Å; C608-E610 PolarHBondContact O-N 2.96Å; E610-F612 PolarHBondContact O-N 3.15Å; E610-F612 VanDerWaalsContact O-N 3.08Å; E610-T613 PolarHBondContact O-N 3.15Å; E610-T613 PolarHBondContact O-OG1 3.2Å
611	T	98.6	Very high	98.4	Very high	26 Å²	26	61 Å²	61	16%	0.16	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58.3	-28.1	178.5	-57.6	0	0	0	0	111.6	F539 M556 S609 T613 T614 L615	F539-T611 HydrophobicContact CB-CG2 4.29Å; M556-T611 HydrophobicContact CE-CG2 4.05Å; M556-T611 HydrophobicContact CG-CG2 4.28Å; M556-T611 VanDerWaalsContact SD-CB 3.55Å; M556-T611 HydrophobicContact SD-CG2 3.64Å; S609-T611 PolarHBondContact O-N 3.46Å; S609-T611 VanDerWaalsContact O-N 3.16Å; T611-T613 PolarHBondContact O-N 3.08Å; T611-T614 PolarHBondContact O-N 3.19Å; T611-T614 PolarHBondContact O-OG1 2.95Å; T611-L615 HydrophobicContact CG2-CD2 4.1Å; T611-L615 WeakPolarHBondContact O-CG 3.32Å; T611-L615 PolarHBondContact O-N 3.13Å
612	F	98.8	Very high	98.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-60.8	-29.2	174.2	-86.4	-63.6	0	0	0	113.6	M556 L558 L571 V573 I581 Y585 F598 S609 E610 T614 L615	M556-F612 HydrophobicContact CB-CE1 3.92Å; M556-F612 HydrophobicContact CB-CE2 4.27Å; M556-F612 HydrophobicContact CB-CZ 3.72Å; M556-F612 HydrophobicContact CE-CD2 4.15Å; M556-F612 HydrophobicContact CE-CE2 4.16Å; M556-F612 HydrophobicContact CG-CE1 4.29Å; M556-F612 HydrophobicContact CG-CZ 4.38Å; M556-F612 HydrophobicContact SD-CB 4.28Å; M556-F612 HydrophobicContact SD-CD1 3.79Å; M556-F612 HydrophobicContact SD-CD2 3.65Å; M556-F612 HydrophobicContact SD-CE1 3.97Å; M556-F612 HydrophobicContact SD-CE2 3.85Å; M556-F612 HydrophobicContact SD-CG 3.62Å; M556-F612 HydrophobicContact SD-CZ 4Å; M556-F612 PolarHBondContact SD-N 3.08Å; M556-F612 VanDerWaalsContact SD-N 3.44Å; L558-F612 HydrophobicContact CD1-CD1 4.37Å; L558-F612 HydrophobicContact CD2-CD1 3.8Å; L558-F612 HydrophobicContact CD2-CE1 3.73Å; L558-F612 HydrophobicContact CG-CD1 3.98Å; L558-F612 HydrophobicContact CG-CE1 4.14Å; L571-F612 HydrophobicContact CD1-CD1 4.23Å; L571-F612 HydrophobicContact CD1-CE1 3.87Å; L571-F612 HydrophobicContact CD1-CE2 4.33Å; L571-F612 HydrophobicContact CD1-CZ 3.91Å; L571-F612 HydrophobicContact CD2-CE1 4.17Å; L571-F612 HydrophobicContact CD2-CE2 4.11Å; L571-F612 HydrophobicContact CD2-CZ 3.55Å; L571-F612 HydrophobicContact CG-CD1 4.46Å; L571-F612 HydrophobicContact CG-CE1 3.63Å; L571-F612 HydrophobicContact CG-CE2 4.35Å; L571-F612 HydrophobicContact CG-CZ 3.55Å; V573-F612 HydrophobicContact CB-CE2 3.97Å; V573-F612 HydrophobicContact CB-CZ 3.9Å; V573-F612 HydrophobicContact CG1-CE2 4.38Å; V573-F612 HydrophobicContact CG2-CE2 4.37Å; I581-F612 HydrophobicContact CG2-CD2 4.21Å; I581-F612 HydrophobicContact CG2-CE2 3.84Å; Y585-F612 HydrophobicContact CD2-CD2 4.38Å; Y585-F612 HydrophobicContact CE1-CB 4.37Å; Y585-F612 HydrophobicContact CE2-CB 4.46Å; Y585-F612 AromaticContact CE2-CD2 3.64Å; Y585-F612 HydrophobicContact CE2-CD2 3.64Å; Y585-F612 HydrophobicContact CE2-CE2 4.19Å; Y585-F612 HydrophobicContact CE2-CG 4.24Å; Y585-F612 AromaticContact CZ-CD2 3.94Å; F598-F612 HydrophobicContact CD1-CB 4.17Å; F598-F612 HydrophobicContact CE1-CB 4.35Å; F598-F612 HydrophobicContact CE1-CD1 4.48Å; S609-F612 WeakPolarHBondContact O-CB 3.46Å; S609-F612 PolarHBondContact O-N 2.99Å; E610-F612 PolarHBondContact O-N 3.15Å; E610-F612 VanDerWaalsContact O-N 3.08Å; F612-T614 VanDerWaalsContact C-N 3.28Å; F612-T614 PolarHBondContact O-N 3.13Å; F612-L615 HydrophobicContact CD1-CD1 3.87Å; F612-L615 HydrophobicContact CE1-CD1 4.39Å
613	T	98.8	Very high	98.3	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.098	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-82.4	-6	-177.3	75.3	0	0	0	0	112.9	T601 E610 T611	T601-T613 HydrophobicContact CG2-CG2 4.38Å; T601-T613 VanDerWaalsContact O-CB 3.3Å; T601-T613 WeakPolarHBondContact O-CB 3.3Å; E610-T613 PolarHBondContact O-N 3.15Å; E610-T613 PolarHBondContact O-OG1 3.2Å; T611-T613 PolarHBondContact O-N 3.08Å
614	T	98.5	Very high	98.2	Very high	90 Å²	90	59 Å²	59	55%	0.552	34%	0.339	S	S	*	.	S	Bend	trans	-130	11.4	-175.8	58.7	0	0	0	0	113.9	T611 F612 H616	T611-T614 PolarHBondContact O-N 3.19Å; T611-T614 PolarHBondContact O-OG1 2.95Å; F612-T614 VanDerWaalsContact C-N 3.28Å; F612-T614 PolarHBondContact O-N 3.13Å; T614-H616 PolarHBondContact O-N 3.5Å; T614-H616 PolarHBondContact O-ND1 2.95Å
615	L	98.6	Very high	98.1	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	32%	0.317	C	S	.	.			trans	-59.1	120	175.2	-65.5	-179.9	0	0	0	110.9	S537 M556 L558 K595 T611 F612	S537-L615 VanDerWaalsContact CB-CD2 3.41Å; M556-L615 HydrophobicContact CG-CD2 4.14Å; M556-L615 HydrophobicContact SD-CD2 4.36Å; L558-L615 HydrophobicContact CD1-CD1 4.03Å; L558-L615 HydrophobicContact CG-CD1 3.84Å; K595-L615 WeakPolarHBondContact CE-O 3.07Å; K595-L615 PolarHBondContact NZ-O 3.43Å; T611-L615 HydrophobicContact CG2-CD2 4.1Å; T611-L615 WeakPolarHBondContact O-CG 3.32Å; T611-L615 PolarHBondContact O-N 3.13Å; F612-L615 HydrophobicContact CD1-CD1 3.87Å; F612-L615 HydrophobicContact CE1-CD1 4.39Å
616	H	98.2	Very high	98	Very high	148 Å²	148	51.8 Å²	51.8	69%	0.685	31%	0.308	S	S	*	.			trans	-129.4	-26.6	-177.8	63.9	-80.6	0	0	0	113.1	T614	T614-H616 PolarHBondContact O-N 3.5Å; T614-H616 PolarHBondContact O-ND1 2.95Å
617	V	98.4	Very high	97.6	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.097	30%	0.303	C	S	.	.			trans	-72.3	130.3	177.4	179	0	0	0	0	110.2	Y535 H536 V623	Y535-V617 VanDerWaalsContact CA-O 3.3Å; Y535-V617 WeakPolarHBondContact CA-O 3.48Å; H536-V617 PolarHBondContact N-O 3.2Å; V617-V623 HydrophobicContact CG1-CB 3.9Å; V617-V623 HydrophobicContact CG1-CG1 3.95Å; V617-V623 WeakPolarHBondContact CG1-O 3.23Å; V617-V623 HydrophobicContact CG2-CG1 4.14Å
618	T	98.7	Very high	96.3	Very high	19 Å²	19	54 Å²	54	12%	0.117	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-110.5	143.1	174.8	70	0	0	0	0	111.7	E533 V534 Y535 K620 S621	E533-T618 HydrophobicContact CG-CG2 3.82Å; V534-T618 CarbonylContact O-C 3.53Å; V534-T618 WeakPolarHBondContact O-CA 3.44Å; Y535-T618 HydrophobicContact CD1-CG2 3.69Å; Y535-T618 HydrophobicContact CE1-CG2 3.53Å; Y535-T618 HydrophobicContact CG-CG2 4.28Å; T618-K620 VanDerWaalsContact C-N 3.28Å; T618-K620 PolarHBondContact O-N 3.45Å; T618-S621 WeakPolarHBondContact O-CB 3.43Å; T618-S621 PolarHBondContact O-N 3.22Å; T618-S621 VanDerWaalsContact O-N 3.09Å; T618-S621 PolarHBondContact O-OG 3.1Å; T618-S621 WeakPolarHBondContact OG1-CB 3.26Å; T618-S621 PolarHBondContact OG1-N 3.17Å
619	K	98.6	Very high	94.9	Very high	59 Å²	59	56 Å²	56	26%	0.257	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-55.8	-40.9	177.6	-76.4	-170.2	173.9	-175.2	0	113.2	E520 V534 S621 G622	E520-K619 WeakPolarHBondContact OE1-CD 3.47Å; E520-K619 IonicContact OE1-NZ 2.86Å; E520-K619 PolarHBondContact OE1-NZ 3.04Å; E520-K619 WeakPolarHBondContact OE2-CE 3.29Å; E520-K619 IonicContact OE2-NZ 3.65Å; E520-K619 PolarHBondContact OE2-NZ 3.44Å; V534-K619 HydrophobicContact CB-CB 4.33Å; V534-K619 HydrophobicContact CB-CD 3.99Å; V534-K619 HydrophobicContact CB-CG 4.07Å; V534-K619 HydrophobicContact CG1-CD 3.9Å; V534-K619 HydrophobicContact CG1-CG 4.11Å; V534-K619 HydrophobicContact CG2-CD 4.49Å; V534-K619 PolarHBondContact O-N 2.9Å; K619-S621 PolarHBondContact O-N 2.86Å; K619-G622 PolarHBondContact O-N 2.99Å; K619-G622 VanDerWaalsContact O-N 3.1Å
620	K	98.2	Very high	92.6	Very high	94 Å²	94	64.5 Å²	64.5	41%	0.409	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19.4	-178.5	-61.6	-162.3	-175.8	-138.7	0	113.9	D529 I532 E533 T618 G622	D529-K620 PolarHBondContact O-NZ 3.48Å; D529-K620 IonicContact OD1-NZ 2.64Å; D529-K620 PolarHBondContact OD1-NZ 3.2Å; D529-K620 IonicContact OD2-NZ 2.72Å; D529-K620 PolarHBondContact OD2-NZ 3.41Å; I532-K620 VanDerWaalsContact O-CE 3.25Å; I532-K620 WeakPolarHBondContact O-CE 3.38Å; E533-K620 WeakPolarHBondContact OE2-CD 3.22Å; T618-K620 VanDerWaalsContact C-N 3.28Å; T618-K620 PolarHBondContact O-N 3.45Å; K620-G622 PolarHBondContact O-N 3.23Å
621	S	97.7	Very high	92.3	Very high	63 Å²	63	65.8 Å²	65.8	44%	0.441	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-71.6	-19.1	172.8	74.3	0	0	0	0	113	T618 K619 V623	T618-S621 WeakPolarHBondContact O-CB 3.43Å; T618-S621 PolarHBondContact O-N 3.22Å; T618-S621 VanDerWaalsContact O-N 3.09Å; T618-S621 PolarHBondContact O-OG 3.1Å; T618-S621 WeakPolarHBondContact OG1-CB 3.26Å; T618-S621 PolarHBondContact OG1-N 3.17Å; K619-S621 PolarHBondContact O-N 2.86Å; S621-V623 PolarHBondContact O-N 3.27Å; S621-V623 PolarHBondContact OG-N 3.47Å
622	G	97.3	Very high	92	Very high	67 Å²	67	67.8 Å²	67.8	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.1	-175.5	0	0	0	0	0	114.6	K619 K620	K619-G622 PolarHBondContact O-N 2.99Å; K619-G622 VanDerWaalsContact O-N 3.1Å; K620-G622 PolarHBondContact O-N 3.23Å
623	V	97.2	Very high	91.6	Very high	84 Å²	84	71.6 Å²	71.6	51%	0.509	45%	0.454	S	S	.	.			trans	-69.9	139.1	175.6	176.2	0	0	0	0	109.7	V617 S621	V617-V623 HydrophobicContact CG1-CB 3.9Å; V617-V623 HydrophobicContact CG1-CG1 3.95Å; V617-V623 WeakPolarHBondContact CG1-O 3.23Å; V617-V623 HydrophobicContact CG2-CG1 4.14Å; S621-V623 PolarHBondContact O-N 3.27Å; S621-V623 PolarHBondContact OG-N 3.47Å
624	S	96.4	Very high	91.2	Very high	62 Å²	62	74.9 Å²	74.9	43%	0.434	48%	0.475	S	S	.	.			trans	-66	139.8	-178.9	-171.7	0	0	0	0	111.6	I626	S624-I626 PolarHBondContact O-N 3.21Å; S624-I626 WeakPolarHBondContact OG-CG1 3.26Å; S624-I626 PolarHBondContact OG-N 3.06Å
625	P	97.2	Very high	90.7	Very high	31 Å²	31	73.9 Å²	73.9	20%	0.201	47%	0.47	C	S	.	.			trans	-78.1	-8.2	174.8	31.8	-35.1	0	0	0	113.6	N538 Y555 V627	N538-P625 WeakPolarHBondContact CB-O 3.36Å; N538-P625 PolarHBondContact N-O 3.45Å; Y555-P625 HydrophobicContact CE2-CB 4.17Å; Y555-P625 HydrophobicContact CE2-CG 4.5Å; P625-V627 PolarHBondContact O-N 3.15Å
626	I	96.1	Very high	90.2	Very high	101 Å²	101	78.7 Å²	78.7	52%	0.518	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-61	135.3	-179.1	70.9	-173.3	0	0	0	109.5	N552 S624	N552-I626 HydrophobicContact CB-CG2 4.35Å; N552-I626 WeakPolarHBondContact OD1-CA 3.34Å; S624-I626 PolarHBondContact O-N 3.21Å; S624-I626 WeakPolarHBondContact OG-CG1 3.26Å; S624-I626 PolarHBondContact OG-N 3.06Å
627	V	87.4	Confident	89.7	Confident	52 Å²	52	73.7 Å²	73.7	32%	0.315	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-83.1	124.4	171.4	-71.7	0	0	0	0	107.7	N538 N552 P625 G629	N538-V627 WeakPolarHBondContact O-CG1 3.39Å; N552-V627 WeakPolarHBondContact OD1-CG2 3.21Å; N552-V627 PolarHBondContact OD1-N 2.56Å; P625-V627 PolarHBondContact O-N 3.15Å; V627-G629 PolarHBondContact O-N 2.7Å
628	S	72.3	Confident	89	Confident	116 Å²	116	78.2 Å²	78.2	81%	0.811	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.6	122.8	166.2	50.3	0	0	0	0	106.9
629	G	68.5	Low	88.2	Confident	60 Å²	60	83.1 Å²	83.1	62%	0.619	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-54.5	165.1	179.6	0	0	0	0	0	112.1	V627	V627-G629 PolarHBondContact O-N 2.7Å
630	C	51.1	Low	87.2	Confident	208 Å²	208	85.3 Å²	85.3	100%	1.405	58%	0.577	S	S	*	*			trans	-62.1	0	172.4	-61.5	0	0	0	0	111.8

Retrieved 630 of 630 residues in 1761.6 ms (Link to these results)

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