A0A096M7Z5_POEFO Loading...

Di-N-acetylchitobiase

Involved in the degradation of asparagine-linked glycoproteins. Hydrolyze of N-acetyl-beta-D-glucosamine (1-4)N-acetylglucosamine chitobiose core from the reducing end of the bond, it requires prior cleavage by glycosylasparaginase.

AlphaFold DB , UniProt , Accession A0A096M7Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	26.6	Very low	139 Å²	139	151.4 Å²	151.4	69%	0.685	77%	0.769	S	S	*	*				0	90.1	0	-84.4	129.7	164.1	0	0	108.9	V284 F286 A294	M1-V284 HydrophobicContact CE-CG1 3.66Å; M1-V284 HydrophobicContact SD-CG1 4.32Å; M1-F286 HydrophobicContact CB-CD2 3.71Å; M1-F286 HydrophobicContact CB-CE2 3.55Å; M1-F286 VanDerWaalsContact O-CE2 3.26Å; M1-F286 WeakPolarHBondContact O-CE2 3.46Å; M1-F286 HydrophobicContact SD-CD2 4.18Å; M1-A294 HydrophobicContact CE-CB 3.74Å; M1-A294 HydrophobicContact SD-CB 3.84Å
2	S	27.3	Very low	26.4	Very low	74 Å²	74	148 Å²	148	52%	0.517	77%	0.769	S	S	.	*			trans	-95.1	151	156.5	-60.1	0	0	0	0	105.4	V4	S2-V4 PolarHBondContact O-N 3.03Å
3	F	31.8	Very low	26.2	Very low	120 Å²	120	144.6 Å²	144.6	53%	0.526	77%	0.766	S	S	.	*			trans	-45.7	103.4	171.4	-81.4	-90.1	0	0	0	110.6	L5	F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 3.41Å; F3-L5 VanDerWaalsContact O-N 3.16Å
4	V	25.7	Very low	26.3	Very low	134 Å²	134	148.3 Å²	148.3	81%	0.812	78%	0.776	S	S	*	*			trans	-85.7	86	170.4	-179	0	0	0	0	106.4	S2 S6	S2-V4 PolarHBondContact O-N 3.03Å; V4-S6 PolarHBondContact O-N 3.15Å
5	L	32.5	Very low	26.2	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	78%	0.777	S	S	*	*			trans	-58.4	121.4	155	-78	162.7	0	0	0	107.5	F3 R7	F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 3.41Å; F3-L5 VanDerWaalsContact O-N 3.16Å; L5-R7 PolarHBondContact O-N 2.97Å
6	S	24.8	Very low	26.4	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	78%	0.779	S	S	*	*			trans	-48.5	115.5	178.8	54.6	0	0	0	0	111.9	V4	V4-S6 PolarHBondContact O-N 3.15Å
7	R	27.1	Very low	26.4	Very low	246 Å²	246	152.4 Å²	152.4	93%	0.928	79%	0.786	S	S	*	*			trans	-86.8	115.3	173.7	-70.3	-175.9	179.1	-166.8	-0.5	110.6	L5	L5-R7 PolarHBondContact O-N 2.97Å
8	T	23.4	Very low	26.3	Very low	136 Å²	136	148.9 Å²	148.9	83%	0.834	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-93.2	132.6	153.8	35.4	0	0	0	0	109.3
9	P	25.5	Very low	26.2	Very low	127 Å²	127	147 Å²	147	83%	0.825	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.9	129.1	-170	32.1	-31.6	0	0	0	112.8
10	Y	23.3	Very low	26.8	Very low	227 Å²	227	145 Å²	145	89%	0.89	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-100.2	118.4	163.4	-160.5	-98.3	0	0	0	108
11	K	23.8	Very low	26.8	Very low	202 Å²	202	147.2 Å²	147.2	88%	0.878	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-79.7	129	174.9	-85.1	179.2	174.3	178.4	0	109.3
12	S	24.6	Very low	26.9	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	80%	0.795	S	S	*	*			trans	-119.2	116.6	160.9	60.8	0	0	0	0	109.5
13	S	24.4	Very low	26.9	Very low	104 Å²	104	147 Å²	147	73%	0.727	81%	0.81	S	S	*	*			trans	-82.8	131	168.7	49.7	0	0	0	0	110
14	H	27.5	Very low	26.8	Very low	196 Å²	196	146.3 Å²	146.3	91%	0.907	83%	0.827	S	S	*	*			trans	-156.1	109.6	149.5	-92.3	-58.8	0	0	0	110.4
15	D	24.8	Very low	26.9	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	83%	0.826	S	S	*	*			trans	-81.3	140.4	153.2	-76.5	-45.2	0	0	0	108.8
16	Q	28.4	Very low	26.7	Very low	174 Å²	174	145 Å²	145	81%	0.813	83%	0.829	S	S	*	*				166.1	115.9	110.9	-91	178.2	-17.7	0	0	113
17	Q	26.7	Very low	26.9	Very low	192 Å²	192	146.2 Å²	146.2	90%	0.897	83%	0.827	S	S	*	*			trans	41.1	141.3	130.1	-81.8	169.6	-27.3	0	0	123.6
18	A	25	Very low	26.9	Very low	91 Å²	91	145.4 Å²	145.4	75%	0.752	82%	0.824	S	S	*	*			trans	-110.7	153.2	-176.8	0	0	0	0	0	114.5
19	S	24.6	Very low	27.3	Very low	112 Å²	112	144.5 Å²	144.5	78%	0.783	82%	0.818	S	S	*	*			trans	78.4	165.7	148.1	89.3	0	0	0	0	119.8
20	P	37.8	Very low	27.7	Very low	106 Å²	106	146 Å²	146	69%	0.688	82%	0.819	S	S	*	*			cis	-136.7	169	-20.6	25.3	-1.8	0	0	0	116.5
21	Q	28.2	Very low	28.3	Very low	193 Å²	193	141.2 Å²	141.2	90%	0.902	81%	0.814	S	S	*	*			trans	34.3	132.7	145.1	-66	178.4	-7.9	0	0	123.5
22	A	27.8	Very low	28.9	Very low	107 Å²	107	140.6 Å²	140.6	88%	0.884	82%	0.817	S	S	*	*			trans	-157	141.9	135.7	0	0	0	0	0	111.7
23	A	27.5	Very low	29.4	Very low	102 Å²	102	142.2 Å²	142.2	84%	0.843	82%	0.815	S	S	*	*			trans	-91.5	153.6	-179.5	0	0	0	0	0	112.5
24	A	29	Very low	30	Very low	105 Å²	105	143 Å²	143	87%	0.868	82%	0.818	S	S	*	*			trans	-155.1	137.7	154.1	0	0	0	0	0	111.4
25	V	29	Very low	30.3	Very low	131 Å²	131	142.9 Å²	142.9	79%	0.794	82%	0.815	S	S	*	*			trans	-96	140.6	-179	173.7	0	0	0	0	109.1
26	S	28.6	Very low	31	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	81%	0.81	S	S	*	*			trans	-155.5	136.5	149.3	74.5	0	0	0	0	112.2
27	L	28.1	Very low	31.3	Very low	139 Å²	139	138.6 Å²	138.6	73%	0.728	81%	0.806	S	S	*	*			trans	-94.8	168.6	-176.8	-74.9	138.6	0	0	0	113.1
28	W	27.9	Very low	31.7	Very low	229 Å²	229	138.1 Å²	138.1	87%	0.867	80%	0.801	S	S	*	*			trans	80.2	135.2	162.8	-55.2	88.8	0	0	0	115.3
29	T	30.6	Very low	32.3	Very low	118 Å²	118	141 Å²	141	72%	0.724	80%	0.803	S	S	*	*			cis	-159	155.8	30	33.3	0	0	0	0	110.5
30	N	35.1	Very low	32.7	Very low	158 Å²	158	140 Å²	140	85%	0.845	80%	0.796	S	S	*	*			trans	-65.2	135.3	168.2	-102.4	-21.9	0	0	0	112.2
31	T	35.4	Very low	32.9	Very low	127 Å²	127	141 Å²	141	78%	0.779	80%	0.8	S	S	*	*			trans	-154.1	116.3	150.7	1.5	0	0	0	0	109
32	M	35.7	Very low	33.3	Very low	189 Å²	189	138.6 Å²	138.6	93%	0.931	79%	0.793	S	S	*	*			trans	-82.8	126.5	174.5	-75.1	-150.5	152	0	0	110.3
33	L	36.2	Very low	33.9	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	79%	0.787	S	S	*	*			trans	-123.1	145	161	-104.5	90.5	0	0	0	109.2	F35	L33-F35 PolarHBondContact O-N 3.33Å
34	P	36.6	Very low	34.3	Very low	120 Å²	120	141.4 Å²	141.4	78%	0.779	78%	0.782	S	S	*	*			trans	-79.1	113.4	-177.1	31.7	-30	0	0	0	109.8	V36	P34-V36 PolarHBondContact O-N 2.84Å
35	F	34.2	Very low	34.9	Very low	194 Å²	194	142.3 Å²	142.3	85%	0.851	78%	0.776	S	S	*	*			trans	-79.3	113.7	170.6	-103.7	-92.5	0	0	0	109.8	L33 V37	L33-F35 PolarHBondContact O-N 3.33Å; F35-V37 PolarHBondContact O-N 3.32Å
36	V	38.8	Very low	35.7	Very low	113 Å²	113	138.8 Å²	138.8	69%	0.685	76%	0.758	S	S	*	*			trans	-63.5	114.1	164.2	175	0	0	0	0	107.5	P34 F38	P34-V36 PolarHBondContact O-N 2.84Å; V36-F38 HydrophobicContact CG1-CD2 4.19Å; V36-F38 HydrophobicContact CG1-CE2 4.38Å; V36-F38 PolarHBondContact O-N 3.28Å
37	V	35.3	Very low	36.4	Very low	120 Å²	120	136.4 Å²	136.4	73%	0.727	75%	0.752	S	S	*	*			trans	-73.2	94.9	175.1	179.5	0	0	0	0	108.2	F35 L39	F35-V37 PolarHBondContact O-N 3.32Å; V37-L39 HydrophobicContact CG1-CD1 4.24Å; V37-L39 PolarHBondContact O-N 2.72Å
38	F	34.3	Very low	38	Very low	182 Å²	182	133 Å²	133	80%	0.798	74%	0.74	S	S	*	*			trans	-71.5	110.9	158.2	-99.2	-90.3	0	0	0	107.4	V36 S40	V36-F38 HydrophobicContact CG1-CD2 4.19Å; V36-F38 HydrophobicContact CG1-CE2 4.38Å; V36-F38 PolarHBondContact O-N 3.28Å; F38-S40 PolarHBondContact O-N 2.73Å
39	L	38.4	Very low	40.2	Very low	152 Å²	152	123.4 Å²	123.4	80%	0.796	71%	0.712	S	S	*	*			trans	-71	78.7	169.9	-134	99.3	0	0	0	108.1	V37 V41	V37-L39 HydrophobicContact CG1-CD1 4.24Å; V37-L39 PolarHBondContact O-N 2.72Å; L39-V41 PolarHBondContact O-N 3.13Å; L39-V41 VanDerWaalsContact O-N 3.15Å
40	S	33.4	Very low	43.1	Very low	90 Å²	90	124.5 Å²	124.5	63%	0.629	72%	0.718	S	S	*	*			trans	-69.7	105.2	166.1	49.1	0	0	0	0	107.3	F38 L42	F38-S40 PolarHBondContact O-N 2.73Å; S40-L42 PolarHBondContact O-N 2.89Å
41	V	41.5	Very low	46	Very low	126 Å²	126	118.8 Å²	118.8	76%	0.764	69%	0.69	S	S	*	*			trans	-62.7	89.4	162.9	179	0	0	0	0	106.4	L39 L43	L39-V41 PolarHBondContact O-N 3.13Å; L39-V41 VanDerWaalsContact O-N 3.15Å; V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.15Å
42	L	35.8	Very low	48.9	Very low	144 Å²	144	115.7 Å²	115.7	75%	0.754	67%	0.672	S	S	*	*			trans	-65.9	95.4	164.6	-92	148.2	0	0	0	106.1	S40 V44	S40-L42 PolarHBondContact O-N 2.89Å; L42-V44 PolarHBondContact O-N 2.81Å
43	L	40	Very low	51.9	Low	145 Å²	145	107.3 Å²	107.3	76%	0.759	63%	0.632	S	S	*	*			trans	-53.7	100.3	153	-89.8	151.4	0	0	0	106	V41 V45	V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.15Å; L43-V45 HydrophobicContact CB-CG2 4.5Å; L43-V45 PolarHBondContact O-N 2.82Å
44	V	35.9	Very low	54.7	Low	123 Å²	123	108.6 Å²	108.6	75%	0.745	64%	0.64	S	S	*	*			trans	-64.5	91	163.8	179.6	0	0	0	0	104.8	L42 S46	L42-V44 PolarHBondContact O-N 2.81Å; V44-S46 PolarHBondContact O-N 3.31Å
45	V	41.6	Very low	57.6	Low	123 Å²	123	109.3 Å²	109.3	75%	0.745	63%	0.627	S	S	*	*			trans	-69.2	81.1	164.9	-178.3	0	0	0	0	105	L43 G47	L43-V45 HydrophobicContact CB-CG2 4.5Å; L43-V45 PolarHBondContact O-N 2.82Å; V45-G47 PolarHBondContact O-N 3.29Å
46	S	46	Very low	60.5	Low	58 Å²	58	104.2 Å²	104.2	41%	0.406	61%	0.613	S	S	.	*			trans	-55.5	126.3	168.9	55	0	0	0	0	107	V44 S48	V44-S46 PolarHBondContact O-N 3.31Å; S46-S48 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact O-OG 3.13Å
47	G	44.8	Very low	63.2	Low	70 Å²	70	103.5 Å²	103.5	72%	0.722	60%	0.603	S	S	*	*			trans	-57	66.5	-170.5	0	0	0	0	0	115.5	V45	V45-G47 PolarHBondContact O-N 3.29Å
48	S	60.5	Low	66.1	Low	68 Å²	68	99 Å²	99	48%	0.476	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-71	136.6	166.8	25	0	0	0	0	107.2	S46	S46-S48 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact O-OG 3.13Å
49	G	74.1	Confident	69.1	Low	27 Å²	27	90.7 Å²	90.7	28%	0.278	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-58.2	166.9	175.8	0	0	0	0	0	110.9	C51 F144	G49-C51 PolarHBondContact O-N 2.03Å; G49-F144 WeakPolarHBondContact O-CZ 3.47Å
50	V	91.6	Very high	71.8	Confident	142 Å²	142	88.5 Å²	88.5	86%	0.861	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-72	127.2	163.3	179	0	0	0	0	106.9	P52	V50-P52 WeakPolarHBondContact O-CD 3.39Å
51	C	95.8	Very high	74.7	Confident	38 Å²	38	85.7 Å²	85.7	26%	0.257	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-56.4	121.6	-179.8	176.3	0	0	0	0	110.4	G49 C53 C59 F144	G49-C51 PolarHBondContact O-N 2.03Å; C51-C53 VanDerWaalsContact C-N 3.31Å; C51-C59 WeakPolarHBondContact CA-SG 3.42Å; C51-C59 HydrophobicContact CB-CB 3.72Å; C51-C59 WeakPolarHBondContact CB-SG 3.47Å; C51-C59 WeakPolarHBondContact SG-CB 3.47Å; C51-C59 CovalentContact SG-SG 2.02Å; C51-C59 PolarHBondContact SG-SG 2.93Å; C51-F144 VanDerWaalsContact CA-CZ 3.44Å; C51-F144 HydrophobicContact CB-CE1 4.49Å; C51-F144 HydrophobicContact CB-CZ 4.05Å
52	P	97	Very high	77.3	Confident	62 Å²	62	81.1 Å²	81.1	40%	0.403	48%	0.475	S	S	.	.			trans	-84.3	-5	-177.9	34.2	-37.9	0	0	0	113.4	V50 A99 M102 F144	V50-P52 WeakPolarHBondContact O-CD 3.39Å; P52-A99 HydrophobicContact CB-CB 3.76Å; P52-A99 HydrophobicContact CG-CB 3.72Å; P52-M102 HydrophobicContact CG-CE 3.51Å; P52-F144 VanDerWaalsContact CD-CE2 3.42Å; P52-F144 HydrophobicContact CG-CD2 4.46Å
53	C	97.8	Very high	79.5	Confident	12 Å²	12	83.6 Å²	83.6	8%	0.081	47%	0.474	C	S	.	.	S	Bend	trans	-84.7	144.1	-176.9	-50	0	0	0	0	111.6	C51 R55 L58 C103	C51-C53 VanDerWaalsContact C-N 3.31Å; C53-R55 WeakPolarHBondContact CB-O 3.33Å; C53-R55 PolarHBondContact O-N 3.17Å; C53-R55 VanDerWaalsContact O-N 3.15Å; C53-L58 HydrophobicContact CB-CB 3.95Å; C53-L58 HydrophobicContact CB-CD1 4.34Å; C53-C103 WeakPolarHBondContact CA-SG 3.01Å; C53-C103 HydrophobicContact CB-CB 3.82Å; C53-C103 WeakPolarHBondContact CB-SG 3.21Å; C53-C103 PolarHBondContact N-SG 3.21Å; C53-C103 VanDerWaalsContact N-SG 3.41Å; C53-C103 WeakPolarHBondContact SG-CA 3.37Å; C53-C103 WeakPolarHBondContact SG-CB 3.03Å; C53-C103 CovalentContact SG-SG 2.03Å; C53-C103 PolarHBondContact SG-SG 3.2Å
54	D	95.9	Very high	81.2	Confident	171 Å²	171	79 Å²	79	91%	0.914	46%	0.462	S	S	*	.	S	Bend	trans	-56.7	-30.8	173.4	-64.5	-28.3	0	0	0	112.4
55	R	96.3	Very high	83.1	Confident	135 Å²	135	81.8 Å²	81.8	51%	0.509	47%	0.467	S	S	.	.	S	Bend	trans	-108.8	106.1	176.8	-73.2	178.4	63.6	-161.4	-3.7	109.4	C53 E57 L58	C53-R55 WeakPolarHBondContact CB-O 3.33Å; C53-R55 PolarHBondContact O-N 3.17Å; C53-R55 VanDerWaalsContact O-N 3.15Å; R55-E57 IonicContact CZ-OE1 3.14Å; R55-E57 IonicContact NE-OE1 2.73Å; R55-E57 PolarHBondContact NE-OE1 3.41Å; R55-E57 IonicContact NH2-OE1 2.72Å; R55-E57 PolarHBondContact NH2-OE1 2.02Å; R55-E57 PolarHBondContact O-N 3.15Å; R55-E57 VanDerWaalsContact O-N 3.13Å; R55-L58 HydrophobicContact CB-CD1 3.89Å; R55-L58 HydrophobicContact CB-CG 3.87Å; R55-L58 WeakPolarHBondContact O-CB 3.02Å; R55-L58 PolarHBondContact O-N 2.63Å
56	P	95.6	Very high	85.2	Confident	88 Å²	88	80 Å²	80	57%	0.571	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27	-174.9	-27.7	35.9	0	0	0	115	L58 C59	P56-L58 PolarHBondContact O-N 2.8Å; P56-C59 WeakPolarHBondContact O-CB 3.49Å; P56-C59 PolarHBondContact O-N 3.29Å; P56-C59 VanDerWaalsContact O-N 3.15Å
57	E	95.3	Very high	87.2	Confident	98 Å²	98	86.3 Å²	86.3	46%	0.458	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-64.2	-23.8	175.7	66.2	-89.1	-151.4	0	0	113.2	R55 C59 Q60	R55-E57 IonicContact CZ-OE1 3.14Å; R55-E57 IonicContact NE-OE1 2.73Å; R55-E57 PolarHBondContact NE-OE1 3.41Å; R55-E57 IonicContact NH2-OE1 2.72Å; R55-E57 PolarHBondContact NH2-OE1 2.02Å; R55-E57 PolarHBondContact O-N 3.15Å; R55-E57 VanDerWaalsContact O-N 3.13Å; E57-C59 PolarHBondContact O-N 3.46Å; E57-Q60 WeakPolarHBondContact O-CB 3.23Å; E57-Q60 PolarHBondContact O-N 2.96Å; E57-Q60 VanDerWaalsContact O-N 3.13Å
58	L	96.9	Very high	89.6	Confident	26 Å²	26	86.2 Å²	86.2	14%	0.136	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-69.5	-15.5	175.9	-62.5	-179.3	0	0	0	112.3	C53 R55 P56 Q60 H106	C53-L58 HydrophobicContact CB-CB 3.95Å; C53-L58 HydrophobicContact CB-CD1 4.34Å; R55-L58 HydrophobicContact CB-CD1 3.89Å; R55-L58 HydrophobicContact CB-CG 3.87Å; R55-L58 WeakPolarHBondContact O-CB 3.02Å; R55-L58 PolarHBondContact O-N 2.63Å; P56-L58 PolarHBondContact O-N 2.8Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; L58-H106 HydrophobicContact CB-CB 4.26Å; L58-H106 HydrophobicContact CD2-CB 4.38Å; L58-H106 WeakPolarHBondContact O-CB 3.39Å; L58-H106 PolarHBondContact O-ND1 2.98Å
59	C	96.7	Very high	91.4	Very high	7 Å²	7	83.2 Å²	83.2	5%	0.047	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-84.8	0.6	173.7	-72.4	0	0	0	0	113.3	C51 P56 E57 F144	C51-C59 WeakPolarHBondContact CA-SG 3.42Å; C51-C59 HydrophobicContact CB-CB 3.72Å; C51-C59 WeakPolarHBondContact CB-SG 3.47Å; C51-C59 WeakPolarHBondContact SG-CB 3.47Å; C51-C59 CovalentContact SG-SG 2.02Å; C51-C59 PolarHBondContact SG-SG 2.93Å; P56-C59 WeakPolarHBondContact O-CB 3.49Å; P56-C59 PolarHBondContact O-N 3.29Å; P56-C59 VanDerWaalsContact O-N 3.15Å; E57-C59 PolarHBondContact O-N 3.46Å; C59-F144 HydrophobicContact CB-CB 4.45Å; C59-F144 HydrophobicContact CB-CD1 3.48Å; C59-F144 VanDerWaalsContact CB-CD1 3.48Å; C59-F144 HydrophobicContact CB-CE1 3.66Å; C59-F144 HydrophobicContact CB-CG 3.92Å; C59-F144 HydrophobicContact CB-CZ 4.28Å; C59-F144 WeakPolarHBondContact O-CD1 3.02Å
60	Q	95.1	Very high	92.5	Very high	106 Å²	106	82.2 Å²	82.2	50%	0.495	42%	0.417	S	S	.	.	S	Bend	trans	-80.1	143.7	171.3	-62.5	-59	-55	0	0	109.9	E57 L58 I62	E57-Q60 WeakPolarHBondContact O-CB 3.23Å; E57-Q60 PolarHBondContact O-N 2.96Å; E57-Q60 VanDerWaalsContact O-N 3.13Å; L58-Q60 VanDerWaalsContact C-N 3.26Å; Q60-I62 PolarHBondContact O-N 3.17Å
61	P	94.6	Very high	92.9	Very high	31 Å²	31	75.5 Å²	75.5	20%	0.201	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-54.6	136.4	172.8	-25	33.7	0	0	0	110.7	R63 D146 I181	P61-R63 WeakPolarHBondContact O-CG 3.37Å; P61-R63 PolarHBondContact O-N 3.22Å; P61-D146 VanDerWaalsContact CA-OD1 3.22Å; P61-D146 WeakPolarHBondContact CA-OD1 3.02Å; P61-I181 HydrophobicContact CB-CG2 4.3Å; P61-I181 HydrophobicContact CG-CG2 3.75Å
62	I	95.3	Very high	93	Very high	29 Å²	29	73.7 Å²	73.7	15%	0.149	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-59.9	132	173.9	-64.1	-57.1	0	0	0	108.5	Q60 H106 G109 R111 D146	Q60-I62 PolarHBondContact O-N 3.17Å; I62-H106 HydrophobicContact CD1-CB 4.08Å; I62-G109 WeakPolarHBondContact CG2-O 3.37Å; I62-R111 HydrophobicContact CB-CG 4.15Å; I62-R111 HydrophobicContact CG2-CG 4.22Å; I62-R111 PolarHBondContact O-NH1 2.93Å; I62-R111 PolarHBondContact O-NH2 2.77Å; I62-D146 PolarHBondContact N-OD1 3.18Å
63	R	83.6	Confident	93.1	Very high	196 Å²	196	70.7 Å²	70.7	74%	0.74	35%	0.345	S	S	*	.			trans	-113.5	135.6	-179.9	-60	-174.7	-177.1	173.9	1.1	108.9	P61	P61-R63 WeakPolarHBondContact O-CG 3.37Å; P61-R63 PolarHBondContact O-N 3.22Å
64	G	75.6	Confident	93.1	Very high	50 Å²	50	70.3 Å²	70.3	52%	0.515	34%	0.342	S	S	.	.			trans	132.3	137	-179	0	0	0	0	0	111.8	R111	G64-R111 PolarHBondContact O-NH2 3Å
65	E	75.8	Confident	93.2	Very high	181 Å²	181	65.3 Å²	65.3	85%	0.846	32%	0.317	S	S	*	.			trans	-87.1	141.5	165.4	-67.5	-177.5	-171.8	0	0	108.6
66	R	85.6	Confident	93.2	Very high	84 Å²	84	59.8 Å²	59.8	32%	0.317	30%	0.302	S	S	.	.			trans	-108.4	140.1	174.1	-65.7	176.9	175.5	-106.7	5.3	108.5	F68 T89 G109 R360	R66-F68 VanDerWaalsContact C-N 3.26Å; R66-F68 PolarHBondContact O-N 3.37Å; R66-T89 VanDerWaalsContact CD-CB 3.49Å; R66-G109 PolarHBondContact NH2-O 3.41Å; R66-R360 PolarHBondContact O-NE 2.63Å; R66-R360 PolarHBondContact O-NH1 3.11Å; R66-R360 VanDerWaalsContact O-NH1 3.11Å; R66-R360 PolarHBondContact O-NH2 3.02Å
67	E	87.8	Confident	93.2	Very high	192 Å²	192	58 Å²	58	90%	0.897	30%	0.3	S	S	*	.	S	Bend	trans	-69.7	-30.4	175.7	-65.6	-170.4	137.8	0	0	111.7
68	F	95.6	Very high	93.3	Very high	68 Å²	68	57.9 Å²	57.9	30%	0.298	30%	0.298	S	S	.	.	S	Bend	trans	-135.3	135.9	179.8	-167.5	-91	0	0	0	111.1	R66 V70 V354 M355 R360 I362	R66-F68 VanDerWaalsContact C-N 3.26Å; R66-F68 PolarHBondContact O-N 3.37Å; F68-V70 HydrophobicContact CD1-CG2 4.28Å; F68-V70 HydrophobicContact CE1-CG2 4.05Å; F68-V354 HydrophobicContact CE2-CG1 3.63Å; F68-V354 HydrophobicContact CZ-CG1 4.02Å; F68-M355 HydrophobicContact CE2-CG 4.44Å; F68-R360 CarbonylContact C-O 3.49Å; F68-R360 WeakPolarHBondContact CA-O 3.36Å; F68-I362 HydrophobicContact CE1-CG2 3.98Å; F68-I362 HydrophobicContact CZ-CB 4.42Å; F68-I362 HydrophobicContact CZ-CG2 3.88Å
69	E	97.5	Very high	93.3	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.6	178.4	-59.8	-71.3	173.8	0	0	111.5	T89 L213 L258 R360 G361 I362	E69-T89 WeakPolarHBondContact CA-OG1 3.14Å; E69-T89 WeakPolarHBondContact OE2-CB 3.44Å; E69-T89 PolarHBondContact OE2-OG1 3.41Å; E69-L213 HydrophobicContact CG-CD1 4.28Å; E69-L258 HydrophobicContact CB-CD2 3.65Å; E69-L258 HydrophobicContact CG-CD2 4.14Å; E69-R360 HydrophobicContact CG-CG 4.02Å; E69-R360 PolarHBondContact N-O 3.46Å; E69-R360 IonicContact OE1-NE 2.72Å; E69-R360 IonicContact OE1-NH2 2.88Å; E69-G361 CarbonylContact O-C 3.51Å; E69-G361 WeakPolarHBondContact O-CA 3.32Å; E69-I362 PolarHBondContact O-N 3.35Å
70	V	98.3	Very high	93.4	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	99.1	162.1	-179.5	0	0	0	0	107.3	F68 M87 T89 T90 I362 M364 W386 L389	F68-V70 HydrophobicContact CD1-CG2 4.28Å; F68-V70 HydrophobicContact CE1-CG2 4.05Å; V70-M87 WeakPolarHBondContact CB-O 3.43Å; V70-M87 HydrophobicContact CG1-CB 4.45Å; V70-M87 HydrophobicContact CG2-CB 4.38Å; V70-M87 WeakPolarHBondContact CG2-O 3.32Å; V70-T89 HydrophobicContact CB-CG2 4.36Å; V70-T89 PolarHBondContact N-OG1 3.18Å; V70-T89 PolarHBondContact O-N 2.86Å; V70-T89 PolarHBondContact O-OG1 3.02Å; V70-T89 VanDerWaalsContact O-OG1 3.12Å; V70-T90 PolarHBondContact O-N 2.98Å; V70-I362 VanDerWaalsContact CA-O 3.26Å; V70-I362 WeakPolarHBondContact CA-O 3.43Å; V70-M364 HydrophobicContact CG1-CE 4.07Å; V70-W386 HydrophobicContact CG1-CZ3 4.21Å; V70-L389 HydrophobicContact CG1-CD1 4.04Å
71	F	98.5	Very high	93.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.1	-168.8	-162.1	-79.8	0	0	0	111	F73 T90 A92 V113 N149 F215 L258 I362 G363 M364	F71-F73 HydrophobicContact CD1-CD2 4.12Å; F71-F73 AromaticContact CD1-CE2 3.65Å; F71-F73 HydrophobicContact CD1-CE2 3.65Å; F71-F73 HydrophobicContact CD1-CZ 4.26Å; F71-F73 HydrophobicContact CE1-CD2 4.26Å; F71-F73 HydrophobicContact CE1-CE1 4.45Å; F71-F73 AromaticContact CE1-CE2 3.65Å; F71-F73 HydrophobicContact CE1-CE2 3.65Å; F71-F73 AromaticContact CE1-CZ 3.78Å; F71-F73 HydrophobicContact CE1-CZ 3.78Å; F71-T90 HydrophobicContact CD2-CG2 3.75Å; F71-T90 HydrophobicContact CE2-CG2 3.41Å; F71-T90 VanDerWaalsContact CE2-CG2 3.41Å; F71-T90 HydrophobicContact CZ-CG2 3.98Å; F71-A92 HydrophobicContact CE1-CB 3.52Å; F71-A92 HydrophobicContact CZ-CB 3.88Å; F71-V113 HydrophobicContact CZ-CG2 4.23Å; F71-N149 HydrophobicContact CZ-CB 4.35Å; F71-N149 WeakPolarHBondContact CZ-OD1 3.2Å; F71-F215 HydrophobicContact CB-CD2 4.4Å; F71-F215 HydrophobicContact CB-CE2 4.24Å; F71-F215 AromaticContact CD1-CD2 3.91Å; F71-F215 HydrophobicContact CD1-CD2 3.91Å; F71-F215 HydrophobicContact CD1-CE2 4.01Å; F71-F215 HydrophobicContact CE1-CD2 4.44Å; F71-F215 HydrophobicContact CG-CD2 4.24Å; F71-F215 HydrophobicContact CG-CE2 4.41Å; F71-L258 HydrophobicContact CB-CD1 3.82Å; F71-L258 HydrophobicContact CD2-CD1 3.6Å; F71-L258 HydrophobicContact CE2-CD1 4.33Å; F71-L258 HydrophobicContact CG-CD1 3.82Å; F71-I362 PolarHBondContact N-O 3.37Å; F71-G363 CarbonylContact O-C 3.55Å; F71-G363 WeakPolarHBondContact O-CA 3.47Å; F71-M364 PolarHBondContact O-N 2.99Å; F71-M364 VanDerWaalsContact O-N 3.09Å
72	V	98.6	Very high	93.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.2	-172.9	-175.4	0	0	0	0	110.6	Y83 V88 T90 V91 A92 M364 W386	V72-Y83 HydrophobicContact CG1-CD2 4.16Å; V72-Y83 HydrophobicContact CG1-CE2 3.77Å; V72-V88 HydrophobicContact CG2-CB 4.36Å; V72-V88 HydrophobicContact CG2-CG1 3.86Å; V72-V88 HydrophobicContact CG2-CG2 3.79Å; V72-T90 PolarHBondContact N-O 2.97Å; V72-V91 CarbonylContact O-C 3.55Å; V72-V91 VanDerWaalsContact O-CA 3.27Å; V72-V91 WeakPolarHBondContact O-CA 3.47Å; V72-A92 PolarHBondContact O-N 3.09Å; V72-M364 VanDerWaalsContact CA-SD 3.6Å; V72-M364 HydrophobicContact CB-SD 3.88Å; V72-M364 HydrophobicContact CG1-SD 3.86Å; V72-M364 HydrophobicContact CG2-CE 4.22Å; V72-M364 HydrophobicContact CG2-SD 3.66Å; V72-W386 HydrophobicContact CG2-CH2 3.95Å; V72-W386 HydrophobicContact CG2-CZ3 4.35Å
73	F	98.8	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.8	164.5	-71.6	-99.5	0	0	0	109.2	F71 A92 F94 D189 F215 M364 W365 N366 G367	F71-F73 HydrophobicContact CD1-CD2 4.12Å; F71-F73 AromaticContact CD1-CE2 3.65Å; F71-F73 HydrophobicContact CD1-CE2 3.65Å; F71-F73 HydrophobicContact CD1-CZ 4.26Å; F71-F73 HydrophobicContact CE1-CD2 4.26Å; F71-F73 HydrophobicContact CE1-CE1 4.45Å; F71-F73 AromaticContact CE1-CE2 3.65Å; F71-F73 HydrophobicContact CE1-CE2 3.65Å; F71-F73 AromaticContact CE1-CZ 3.78Å; F71-F73 HydrophobicContact CE1-CZ 3.78Å; F73-A92 HydrophobicContact CD1-CB 3.9Å; F73-A92 HydrophobicContact CE1-CB 4.02Å; F73-A92 HydrophobicContact CG-CB 4.34Å; F73-F94 AromaticContact CD1-CD2 3.8Å; F73-F94 HydrophobicContact CD1-CD2 3.8Å; F73-F94 HydrophobicContact CD1-CE1 4.24Å; F73-F94 AromaticContact CD1-CE2 3.39Å; F73-F94 HydrophobicContact CD1-CE2 3.39Å; F73-F94 HydrophobicContact CD1-CG 4.42Å; F73-F94 AromaticContact CD1-CZ 3.63Å; F73-F94 HydrophobicContact CD1-CZ 3.63Å; F73-F94 HydrophobicContact CE1-CD2 4.31Å; F73-F94 HydrophobicContact CE1-CE1 4.37Å; F73-F94 AromaticContact CE1-CE2 3.43Å; F73-F94 HydrophobicContact CE1-CE2 3.43Å; F73-F94 VanDerWaalsContact CE1-CE2 3.43Å; F73-F94 AromaticContact CE1-CZ 3.47Å; F73-F94 HydrophobicContact CE1-CZ 3.47Å; F73-F94 VanDerWaalsContact CE1-CZ 3.47Å; F73-D189 WeakPolarHBondContact CZ-OD1 3.4Å; F73-F215 HydrophobicContact CD2-CE1 4.37Å; F73-F215 HydrophobicContact CD2-CE2 4.43Å; F73-F215 HydrophobicContact CD2-CZ 4.08Å; F73-F215 AromaticContact CE2-CD1 3.76Å; F73-F215 HydrophobicContact CE2-CD1 3.76Å; F73-F215 AromaticContact CE2-CD2 3.89Å; F73-F215 HydrophobicContact CE2-CD2 3.89Å; F73-F215 AromaticContact CE2-CE1 3.49Å; F73-F215 HydrophobicContact CE2-CE1 3.49Å; F73-F215 VanDerWaalsContact CE2-CE1 3.49Å; F73-F215 AromaticContact CE2-CE2 3.63Å; F73-F215 HydrophobicContact CE2-CE2 3.63Å; F73-F215 AromaticContact CE2-CG 3.96Å; F73-F215 HydrophobicContact CE2-CG 3.96Å; F73-F215 AromaticContact CE2-CZ 3.42Å; F73-F215 HydrophobicContact CE2-CZ 3.42Å; F73-F215 VanDerWaalsContact CE2-CZ 3.42Å; F73-F215 AromaticContact CZ-CD1 3.91Å; F73-F215 HydrophobicContact CZ-CD1 3.91Å; F73-F215 HydrophobicContact CZ-CD2 4.43Å; F73-F215 HydrophobicContact CZ-CE1 4.04Å; F73-F215 HydrophobicContact CZ-CG 4.12Å; F73-F215 HydrophobicContact CZ-CZ 4.37Å; F73-M364 WeakPolarHBondContact CD2-O 3.36Å; F73-M364 PolarHBondContact N-O 2.01Å; F73-W365 HydrophobicContact CB-CE3 3.58Å; F73-W365 HydrophobicContact CB-CZ3 3.89Å; F73-W365 AromaticContact CD1-CE3 3.63Å; F73-W365 HydrophobicContact CD1-CE3 3.63Å; F73-W365 AromaticContact CD1-CZ3 3.5Å; F73-W365 HydrophobicContact CD1-CZ3 3.5Å; F73-W365 VanDerWaalsContact CD1-CZ3 3.5Å; F73-W365 HydrophobicContact CD2-CE3 4.27Å; F73-W365 HydrophobicContact CE1-CE3 4.37Å; F73-W365 HydrophobicContact CE1-CZ3 4.26Å; F73-W365 AromaticContact CG-CE3 3.55Å; F73-W365 HydrophobicContact CG-CE3 3.55Å; F73-W365 AromaticContact CG-CZ3 3.87Å; F73-W365 HydrophobicContact CG-CZ3 3.87Å; F73-N366 HydrophobicContact CB-CB 4Å; F73-N366 WeakPolarHBondContact O-CB 3.45Å; F73-G367 PolarHBondContact O-N 3.44Å
74	D	98.6	Very high	94.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	175.2	-175.4	-89.9	0	0	0	110.7	G76 Y83 V91 A92 F94 G95 N368	D74-G76 VanDerWaalsContact C-N 3.34Å; D74-G76 VanDerWaalsContact OD1-CA 3.28Å; D74-G76 WeakPolarHBondContact OD1-CA 3.37Å; D74-G76 PolarHBondContact OD1-N 3.42Å; D74-Y83 PolarHBondContact OD2-OH 3.49Å; D74-V91 HydrophobicContact CB-CG1 3.64Å; D74-A92 PolarHBondContact N-O 2.82Å; D74-F94 WeakPolarHBondContact O-CA 3.37Å; D74-F94 WeakPolarHBondContact O-CB 3.35Å; D74-F94 PolarHBondContact O-N 2.92Å; D74-G95 PolarHBondContact O-N 2.7Å; D74-N368 WeakPolarHBondContact CA-OD1 3.41Å; D74-N368 PolarHBondContact OD2-ND2 3.34Å; D74-N368 PolarHBondContact OD2-OD1 2.67Å
75	V	97.8	Very high	95.6	Very high	65 Å²	65	50.7 Å²	50.7	39%	0.394	26%	0.264	S	S	.	.			trans	-95	16	-177.9	-60.3	0	0	0	0	113.3	F94 W365 N366 N368	V75-F94 HydrophobicContact CG1-CB 4.31Å; V75-W365 HydrophobicContact CG1-CH2 4.23Å; V75-W365 HydrophobicContact CG1-CZ2 4.34Å; V75-N366 HydrophobicContact CG1-CB 4.41Å; V75-N368 HydrophobicContact CG2-CB 3.88Å; V75-N368 WeakPolarHBondContact CG2-OD1 3.49Å; V75-N368 PolarHBondContact N-OD1 3.01Å
76	G	96.3	Very high	96.5	Very high	19 Å²	19	47.2 Å²	47.2	20%	0.196	26%	0.259	C	S	.	.	S	Bend	trans	93.3	-175.6	178.3	0	0	0	0	0	114.9	D74 N368	D74-G76 VanDerWaalsContact C-N 3.34Å; D74-G76 VanDerWaalsContact OD1-CA 3.28Å; D74-G76 WeakPolarHBondContact OD1-CA 3.37Å; D74-G76 PolarHBondContact OD1-N 3.42Å; G76-N368 PolarHBondContact O-ND2 2.81Å
77	G	96.3	Very high	97	Very high	52 Å²	52	44.2 Å²	44.2	54%	0.536	25%	0.249	S	C	.	.	S	Bend	trans	83.9	-154.2	-170.9	0	0	0	0	0	111.6	W80	G77-W80 VanDerWaalsContact O-CD1 3.32Å; G77-W80 PolarHBondContact O-NE1 3.26Å
78	K	97.1	Very high	97.5	Very high	95 Å²	95	35.2 Å²	35.2	41%	0.413	21%	0.207	S	C	.	.	S	Bend	trans	-123.5	8.8	-175.5	-62.9	-64	179.5	179.2	0	114	W80 K81 D98 E100	K78-W80 HydrophobicContact CD-CZ2 4.09Å; K78-W80 PolarHBondContact O-N 3.38Å; K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.47Å; K78-K81 VanDerWaalsContact O-N 3.15Å; K78-D98 WeakPolarHBondContact CE-OD2 3.45Å; K78-D98 IonicContact NZ-OD1 3.26Å; K78-D98 PolarHBondContact NZ-OD1 2.86Å; K78-D98 IonicContact NZ-OD2 3.23Å; K78-D98 PolarHBondContact NZ-OD2 2.77Å; K78-E100 WeakPolarHBondContact CE-OE2 3.13Å; K78-E100 IonicContact NZ-OE2 3.75Å; K78-E100 PolarHBondContact NZ-OE2 2.81Å
79	T	97.1	Very high	97.7	Very high	46 Å²	46	32.1 Å²	32.1	28%	0.282	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.3	-29	177.9	-50.6	0	0	0	0	112.2	K81 S82 Y83 Y372	T79-K81 PolarHBondContact O-N 3.2Å; T79-S82 PolarHBondContact O-N 3.34Å; T79-Y83 HydrophobicContact CG2-CE1 4.1Å; T79-Y372 HydrophobicContact CG2-CD2 3.17Å; T79-Y372 HydrophobicContact CG2-CE2 3.3Å; T79-Y372 HydrophobicContact CG2-CG 4.1Å
80	W	98	Very high	97.7	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-53.3	-26	175.8	64.5	-108.6	0	0	0	114.2	G77 K78 S82 Y83 W85 D98 E100 L101 F104	G77-W80 VanDerWaalsContact O-CD1 3.32Å; G77-W80 PolarHBondContact O-NE1 3.26Å; K78-W80 HydrophobicContact CD-CZ2 4.09Å; K78-W80 PolarHBondContact O-N 3.38Å; W80-S82 PolarHBondContact O-N 3.28Å; W80-S82 VanDerWaalsContact O-N 3.14Å; W80-Y83 HydrophobicContact CB-CD2 3.92Å; W80-Y83 HydrophobicContact CB-CE2 3.6Å; W80-Y83 PolarHBondContact O-N 2.64Å; W80-W85 HydrophobicContact CB-CZ2 4.39Å; W80-W85 AromaticContact CE3-CZ2 3.98Å; W80-W85 HydrophobicContact CE3-CZ2 3.98Å; W80-W85 PolarHBondContact O-NE1 3.23Å; W80-D98 PolarHBondContact NE1-OD2 2.7Å; W80-E100 HydrophobicContact CH2-CB 4.29Å; W80-E100 HydrophobicContact CH2-CG 3.79Å; W80-E100 HydrophobicContact CZ2-CB 3.96Å; W80-E100 HydrophobicContact CZ2-CG 3.87Å; W80-L101 HydrophobicContact CB-CD1 3.84Å; W80-L101 HydrophobicContact CD2-CB 4.06Å; W80-L101 HydrophobicContact CD2-CD1 3.71Å; W80-L101 HydrophobicContact CD2-CG 4.39Å; W80-L101 HydrophobicContact CE3-CD1 3.97Å; W80-L101 HydrophobicContact CG-CB 4.3Å; W80-L101 HydrophobicContact CG-CD1 3.65Å; W80-L101 HydrophobicContact CG-CD2 4.35Å; W80-L101 HydrophobicContact CG-CG 4.31Å; W80-L101 HydrophobicContact CZ2-CB 4.12Å; W80-F104 HydrophobicContact CE3-CB 4.5Å; W80-F104 HydrophobicContact CE3-CD1 4.19Å; W80-F104 HydrophobicContact CE3-CG 4.42Å; W80-F104 HydrophobicContact CH2-CB 3.93Å; W80-F104 HydrophobicContact CH2-CG 4.25Å; W80-F104 HydrophobicContact CZ3-CB 3.56Å; W80-F104 AromaticContact CZ3-CD1 3.71Å; W80-F104 HydrophobicContact CZ3-CD1 3.71Å; W80-F104 HydrophobicContact CZ3-CD2 4.14Å; W80-F104 HydrophobicContact CZ3-CE1 4.46Å; W80-F104 AromaticContact CZ3-CG 3.52Å; W80-F104 HydrophobicContact CZ3-CG 3.52Å
81	K	98	Very high	97.7	Very high	100 Å²	100	31.6 Å²	31.6	44%	0.435	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.6	-23.7	175.8	-70	-176.3	174.5	-172.5	0	112.9	K78 T79 E100	K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.47Å; K78-K81 VanDerWaalsContact O-N 3.15Å; T79-K81 PolarHBondContact O-N 3.2Å; K81-E100 VanDerWaalsContact CE-CD 3.48Å; K81-E100 WeakPolarHBondContact CE-OE1 3.27Å; K81-E100 WeakPolarHBondContact CE-OE2 3.22Å; K81-E100 VanDerWaalsContact NZ-CD 3.32Å; K81-E100 IonicContact NZ-OE1 3.27Å; K81-E100 PolarHBondContact NZ-OE1 2.78Å; K81-E100 IonicContact NZ-OE2 2.64Å; K81-E100 PolarHBondContact NZ-OE2 2.92Å
82	S	97.7	Very high	97.7	Very high	63 Å²	63	31.6 Å²	31.6	44%	0.441	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-102.8	2.5	-177	-53.8	0	0	0	0	113.5	T79 W80 Y372	T79-S82 PolarHBondContact O-N 3.34Å; W80-S82 PolarHBondContact O-N 3.28Å; W80-S82 VanDerWaalsContact O-N 3.14Å; S82-Y372 WeakPolarHBondContact O-CD1 3.48Å; S82-Y372 VanDerWaalsContact O-CE1 3.25Å; S82-Y372 WeakPolarHBondContact O-CE1 3.41Å
83	Y	98.4	Very high	97.7	Very high	11 Å²	11	32.3 Å²	32.3	4%	0.043	20%	0.197	C	C	.	.	S	Bend	trans	-63.7	156.7	175.5	-65.5	-8.9	0	0	0	111.6	V72 D74 T79 W80 W85 G367 N368 Y372 W386	V72-Y83 HydrophobicContact CG1-CD2 4.16Å; V72-Y83 HydrophobicContact CG1-CE2 3.77Å; D74-Y83 PolarHBondContact OD2-OH 3.49Å; T79-Y83 HydrophobicContact CG2-CE1 4.1Å; W80-Y83 HydrophobicContact CB-CD2 3.92Å; W80-Y83 HydrophobicContact CB-CE2 3.6Å; W80-Y83 PolarHBondContact O-N 2.64Å; Y83-W85 VanDerWaalsContact C-N 3.29Å; Y83-W85 HydrophobicContact CD2-CZ2 4.35Å; Y83-W85 PolarHBondContact O-N 3.3Å; Y83-G367 VanDerWaalsContact CE1-C 3.44Å; Y83-G367 WeakPolarHBondContact CE1-O 3.43Å; Y83-G367 VanDerWaalsContact OH-C 3.26Å; Y83-N368 PolarHBondContact OH-N 2.96Å; Y83-N368 PolarHBondContact OH-ND2 3.06Å; Y83-N368 PolarHBondContact OH-OD1 3.45Å; Y83-Y372 HydrophobicContact CD1-CE1 4.3Å; Y83-Y372 HydrophobicContact CD1-CE2 4.4Å; Y83-Y372 AromaticContact CD1-CZ 3.78Å; Y83-Y372 VanDerWaalsContact CD1-OH 3.32Å; Y83-Y372 WeakPolarHBondContact CD1-OH 3.04Å; Y83-Y372 HydrophobicContact CE1-CE2 4.23Å; Y83-W386 HydrophobicContact CD1-CZ2 4.02Å; Y83-W386 HydrophobicContact CG-CH2 4.35Å; Y83-W386 AromaticContact CG-CZ2 3.91Å; Y83-W386 HydrophobicContact CG-CZ2 3.91Å
84	N	97.7	Very high	97.7	Very high	49 Å²	49	34 Å²	34	26%	0.262	20%	0.204	S	C	.	.			trans	-78.8	80.9	172.9	-167.2	-4.7	0	0	0	110.9	S86 M87 V88 W386	N84-S86 PolarHBondContact O-N 2.71Å; N84-S86 VanDerWaalsContact O-N 3.09Å; N84-S86 PolarHBondContact OD1-N 3.06Å; N84-S86 PolarHBondContact OD1-OG 3.26Å; N84-M87 HydrophobicContact CB-CG 4.38Å; N84-M87 HydrophobicContact CB-SD 4.22Å; N84-M87 PolarHBondContact ND2-SD 2.72Å; N84-M87 WeakPolarHBondContact O-CB 3.19Å; N84-M87 PolarHBondContact O-N 2.88Å; N84-V88 PolarHBondContact O-N 2.87Å; N84-W386 HydrophobicContact CB-CB 4.22Å; N84-W386 HydrophobicContact CB-CD2 3.54Å; N84-W386 HydrophobicContact CB-CE3 3.85Å; N84-W386 HydrophobicContact CB-CG 3.71Å; N84-W386 HydrophobicContact CB-CZ3 4.48Å
85	W	97.8	Very high	97.4	Very high	24 Å²	24	35 Å²	35	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.1	-176.3	-72.2	98.1	0	0	0	115.5	W80 Y83 V88 V91 L101 F104 A105 K108 A110	W80-W85 HydrophobicContact CB-CZ2 4.39Å; W80-W85 AromaticContact CE3-CZ2 3.98Å; W80-W85 HydrophobicContact CE3-CZ2 3.98Å; W80-W85 PolarHBondContact O-NE1 3.23Å; Y83-W85 VanDerWaalsContact C-N 3.29Å; Y83-W85 HydrophobicContact CD2-CZ2 4.35Å; Y83-W85 PolarHBondContact O-N 3.3Å; W85-V88 HydrophobicContact CE3-CB 3.95Å; W85-V88 HydrophobicContact CE3-CG1 4.13Å; W85-V88 HydrophobicContact CE3-CG2 4.42Å; W85-V88 HydrophobicContact CZ3-CB 4.22Å; W85-V88 HydrophobicContact CZ3-CG1 3.86Å; W85-V91 HydrophobicContact CH2-CG2 3.88Å; W85-V91 HydrophobicContact CZ3-CG2 4.12Å; W85-L101 HydrophobicContact CH2-CD1 3.79Å; W85-L101 HydrophobicContact CZ2-CD1 3.95Å; W85-F104 AromaticContact CD1-CE1 3.46Å; W85-F104 VanDerWaalsContact CD1-CE1 3.46Å; W85-F104 HydrophobicContact CD2-CD1 4.04Å; W85-F104 AromaticContact CD2-CE1 3.7Å; W85-F104 HydrophobicContact CD2-CE1 3.7Å; W85-F104 AromaticContact CE2-CD1 3.64Å; W85-F104 AromaticContact CE2-CE1 3.5Å; W85-F104 VanDerWaalsContact CE2-CE1 3.5Å; W85-F104 HydrophobicContact CG-CD1 4.46Å; W85-F104 AromaticContact CG-CE1 3.65Å; W85-F104 HydrophobicContact CG-CE1 3.65Å; W85-F104 HydrophobicContact CH2-CD1 4.42Å; W85-F104 AromaticContact CZ2-CD1 3.86Å; W85-F104 HydrophobicContact CZ2-CD1 3.86Å; W85-F104 HydrophobicContact CZ2-CE1 4.19Å; W85-F104 AromaticContact NE1-CD1 3.87Å; W85-F104 AromaticContact NE1-CE1 3.33Å; W85-F104 VanDerWaalsContact NE1-CE1 3.33Å; W85-A105 HydrophobicContact CH2-CB 3.66Å; W85-A105 HydrophobicContact CZ3-CB 3.64Å; W85-K108 HydrophobicContact CB-CD 4.25Å; W85-K108 HydrophobicContact CB-CG 3.99Å; W85-K108 HydrophobicContact CD2-CG 4.22Å; W85-K108 HydrophobicContact CE3-CB 4.09Å; W85-K108 HydrophobicContact CE3-CG 4.09Å; W85-K108 HydrophobicContact CG-CG 4.21Å; W85-A110 HydrophobicContact CE3-CB 4.26Å; W85-A110 HydrophobicContact CZ3-CB 3.88Å
86	S	96	Very high	97.4	Very high	108 Å²	108	43.3 Å²	43.3	76%	0.755	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.3	167.3	71	0	0	0	0	112.4	N84	N84-S86 PolarHBondContact O-N 2.71Å; N84-S86 VanDerWaalsContact O-N 3.09Å; N84-S86 PolarHBondContact OD1-N 3.06Å; N84-S86 PolarHBondContact OD1-OG 3.26Å
87	M	96.4	Very high	97.4	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.099	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-43.3	-178.2	-57	-178	70.8	0	0	112.1	V70 N84 T89 W386 L389 L390	V70-M87 WeakPolarHBondContact CB-O 3.43Å; V70-M87 HydrophobicContact CG1-CB 4.45Å; V70-M87 HydrophobicContact CG2-CB 4.38Å; V70-M87 WeakPolarHBondContact CG2-O 3.32Å; N84-M87 HydrophobicContact CB-CG 4.38Å; N84-M87 HydrophobicContact CB-SD 4.22Å; N84-M87 PolarHBondContact ND2-SD 2.72Å; N84-M87 WeakPolarHBondContact O-CB 3.19Å; N84-M87 PolarHBondContact O-N 2.88Å; M87-T89 WeakPolarHBondContact O-CG2 3.33Å; M87-T89 PolarHBondContact O-N 3.23Å; M87-W386 VanDerWaalsContact CE-O 3.31Å; M87-W386 WeakPolarHBondContact CE-O 3.43Å; M87-W386 HydrophobicContact SD-CB 4.08Å; M87-W386 HydrophobicContact SD-CE3 4.09Å; M87-L389 HydrophobicContact CE-CB 4.15Å; M87-L390 HydrophobicContact CE-CD1 3.98Å; M87-L390 HydrophobicContact CE-CD2 3.54Å; M87-L390 HydrophobicContact CE-CG 3.48Å; M87-L390 VanDerWaalsContact CE-CG 3.48Å
88	V	98.3	Very high	97.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.228	C	C	.	.			trans	-55.9	127.8	-172.7	-178.9	0	0	0	0	111.8	V72 N84 W85 V91 A110 W386	V72-V88 HydrophobicContact CG2-CB 4.36Å; V72-V88 HydrophobicContact CG2-CG1 3.86Å; V72-V88 HydrophobicContact CG2-CG2 3.79Å; N84-V88 PolarHBondContact O-N 2.87Å; W85-V88 HydrophobicContact CE3-CB 3.95Å; W85-V88 HydrophobicContact CE3-CG1 4.13Å; W85-V88 HydrophobicContact CE3-CG2 4.42Å; W85-V88 HydrophobicContact CZ3-CB 4.22Å; W85-V88 HydrophobicContact CZ3-CG1 3.86Å; V88-V91 HydrophobicContact CG1-CG2 3.74Å; V88-A110 HydrophobicContact CG1-CB 4.26Å; V88-W386 HydrophobicContact CG2-CH2 3.74Å; V88-W386 HydrophobicContact CG2-CZ3 3.94Å
89	T	98	Very high	97.5	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	22%	0.22	C	C	.	.			trans	-111.5	-36.8	178.3	66.7	0	0	0	0	112.6	R66 E69 V70 M87 A110 R111	R66-T89 VanDerWaalsContact CD-CB 3.49Å; E69-T89 WeakPolarHBondContact CA-OG1 3.14Å; E69-T89 WeakPolarHBondContact OE2-CB 3.44Å; E69-T89 PolarHBondContact OE2-OG1 3.41Å; V70-T89 HydrophobicContact CB-CG2 4.36Å; V70-T89 PolarHBondContact N-OG1 3.18Å; V70-T89 PolarHBondContact O-N 2.86Å; V70-T89 PolarHBondContact O-OG1 3.02Å; V70-T89 VanDerWaalsContact O-OG1 3.12Å; M87-T89 WeakPolarHBondContact O-CG2 3.33Å; M87-T89 PolarHBondContact O-N 3.23Å; T89-A110 CarbonylContact O-C 3.54Å; T89-A110 VanDerWaalsContact O-CA 3.3Å; T89-A110 WeakPolarHBondContact O-CA 3.46Å; T89-R111 PolarHBondContact O-N 2.93Å
90	T	98.5	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.9	176.4	-62.9	0	0	0	0	110.2	V70 F71 V72 R111 V113 Q185	V70-T90 PolarHBondContact O-N 2.98Å; F71-T90 HydrophobicContact CD2-CG2 3.75Å; F71-T90 HydrophobicContact CE2-CG2 3.41Å; F71-T90 VanDerWaalsContact CE2-CG2 3.41Å; F71-T90 HydrophobicContact CZ-CG2 3.98Å; V72-T90 PolarHBondContact N-O 2.97Å; T90-R111 CarbonylContact C-O 3.44Å; T90-R111 WeakPolarHBondContact CA-O 3.36Å; T90-R111 HydrophobicContact CG2-CB 4.12Å; T90-V113 HydrophobicContact CG2-CG1 4.08Å; T90-V113 HydrophobicContact CG2-CG2 3.98Å; T90-Q185 PolarHBondContact OG1-OE1 2.89Å
91	V	98.8	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.3	168.3	-177.4	0	0	0	0	109.4	V72 D74 W85 V88 L101 R111 V112 V113	V72-V91 CarbonylContact O-C 3.55Å; V72-V91 VanDerWaalsContact O-CA 3.27Å; V72-V91 WeakPolarHBondContact O-CA 3.47Å; D74-V91 HydrophobicContact CB-CG1 3.64Å; W85-V91 HydrophobicContact CH2-CG2 3.88Å; W85-V91 HydrophobicContact CZ3-CG2 4.12Å; V88-V91 HydrophobicContact CG1-CG2 3.74Å; V91-L101 HydrophobicContact CG1-CD2 4.34Å; V91-R111 PolarHBondContact N-O 2.88Å; V91-V112 HydrophobicContact CB-CG2 4.44Å; V91-V112 CarbonylContact O-C 3.37Å; V91-V112 WeakPolarHBondContact O-CA 3.32Å; V91-V113 PolarHBondContact O-N 2.91Å
92	A	98.7	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.6	166.7	0	0	0	0	0	109.9	F71 V72 F73 D74 F94 V113 N149	F71-A92 HydrophobicContact CE1-CB 3.52Å; F71-A92 HydrophobicContact CZ-CB 3.88Å; V72-A92 PolarHBondContact O-N 3.09Å; F73-A92 HydrophobicContact CD1-CB 3.9Å; F73-A92 HydrophobicContact CE1-CB 4.02Å; F73-A92 HydrophobicContact CG-CB 4.34Å; D74-A92 PolarHBondContact N-O 2.82Å; A92-F94 HydrophobicContact CB-CD2 4.32Å; A92-F94 HydrophobicContact CB-CE2 4.13Å; A92-F94 PolarHBondContact O-N 3.48Å; A92-V113 HydrophobicContact CB-CG2 3.9Å; A92-N149 HydrophobicContact CB-CB 4.09Å
93	A	98.1	Very high	97.7	Very high	15 Å²	15	37.4 Å²	37.4	12%	0.124	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	99.1	-173.3	0	0	0	0	0	111.4	V112 V113 K115 M145	A93-V112 HydrophobicContact CB-CG1 4.09Å; A93-V113 PolarHBondContact N-O 2.96Å; A93-K115 PolarHBondContact O-N 3.4Å; A93-M145 HydrophobicContact CB-CE 4.01Å
94	F	97.4	Very high	97.7	Very high	35 Å²	35	40 Å²	40	15%	0.154	20%	0.203	C	C	.	.			trans	-92.6	-13	176.7	-84.1	-131.4	0	0	0	112.6	F73 D74 V75 A92 K115 D151 W365	F73-F94 AromaticContact CD1-CD2 3.8Å; F73-F94 HydrophobicContact CD1-CD2 3.8Å; F73-F94 HydrophobicContact CD1-CE1 4.24Å; F73-F94 AromaticContact CD1-CE2 3.39Å; F73-F94 HydrophobicContact CD1-CE2 3.39Å; F73-F94 HydrophobicContact CD1-CG 4.42Å; F73-F94 AromaticContact CD1-CZ 3.63Å; F73-F94 HydrophobicContact CD1-CZ 3.63Å; F73-F94 HydrophobicContact CE1-CD2 4.31Å; F73-F94 HydrophobicContact CE1-CE1 4.37Å; F73-F94 AromaticContact CE1-CE2 3.43Å; F73-F94 HydrophobicContact CE1-CE2 3.43Å; F73-F94 VanDerWaalsContact CE1-CE2 3.43Å; F73-F94 AromaticContact CE1-CZ 3.47Å; F73-F94 HydrophobicContact CE1-CZ 3.47Å; F73-F94 VanDerWaalsContact CE1-CZ 3.47Å; D74-F94 WeakPolarHBondContact O-CA 3.37Å; D74-F94 WeakPolarHBondContact O-CB 3.35Å; D74-F94 PolarHBondContact O-N 2.92Å; V75-F94 HydrophobicContact CG1-CB 4.31Å; A92-F94 HydrophobicContact CB-CD2 4.32Å; A92-F94 HydrophobicContact CB-CE2 4.13Å; A92-F94 PolarHBondContact O-N 3.48Å; F94-K115 HydrophobicContact CB-CD 4.48Å; F94-K115 HydrophobicContact CD1-CD 3.55Å; F94-K115 HydrophobicContact CD1-CG 4.22Å; F94-K115 HydrophobicContact CD2-CB 3.81Å; F94-K115 HydrophobicContact CD2-CD 4.15Å; F94-K115 HydrophobicContact CD2-CG 3.98Å; F94-K115 HydrophobicContact CE1-CD 3.67Å; F94-K115 VanDerWaalsContact CE1-CE 3.46Å; F94-K115 HydrophobicContact CE1-CG 4.09Å; F94-K115 HydrophobicContact CE2-CB 3.97Å; F94-K115 HydrophobicContact CE2-CD 4.22Å; F94-K115 HydrophobicContact CE2-CG 3.8Å; F94-K115 HydrophobicContact CG-CB 4.22Å; F94-K115 HydrophobicContact CG-CD 3.8Å; F94-K115 HydrophobicContact CG-CG 4.17Å; F94-K115 HydrophobicContact CZ-CD 4Å; F94-K115 HydrophobicContact CZ-CG 3.87Å; F94-D151 HydrophobicContact CE1-CB 4.29Å; F94-D151 VanDerWaalsContact CE1-OD2 3.25Å; F94-D151 WeakPolarHBondContact CE1-OD2 3.3Å; F94-D151 HydrophobicContact CZ-CB 3.83Å; F94-W365 AromaticContact CD1-CH2 3.54Å; F94-W365 HydrophobicContact CD1-CH2 3.54Å; F94-W365 AromaticContact CD1-CZ3 3.65Å; F94-W365 HydrophobicContact CD1-CZ3 3.65Å; F94-W365 AromaticContact CE1-CH2 3.77Å; F94-W365 HydrophobicContact CE1-CH2 3.77Å; F94-W365 AromaticContact CE1-CZ3 3.6Å; F94-W365 HydrophobicContact CE1-CZ3 3.6Å; F94-W365 HydrophobicContact CG-CH2 4.38Å; F94-W365 HydrophobicContact CG-CZ3 4.27Å; F94-W365 HydrophobicContact CZ-CZ3 4.2Å
95	G	94.2	Very high	97.7	Very high	25 Å²	25	37.7 Å²	37.7	26%	0.258	19%	0.191	S	C	.	.	S	Bend	trans	-77.7	-178.4	170.5	0	0	0	0	0	113.7	D74	D74-G95 PolarHBondContact O-N 2.7Å
96	R	95.8	Very high	97.7	Very high	239 Å²	239	36.9 Å²	36.9	90%	0.902	19%	0.188	S	C	*	.	S	Bend	trans	-63.7	148.6	166.9	-66.3	-177.2	-177.9	176.4	1.1	109.5	D98	R96-D98 PolarHBondContact O-N 3.07Å
97	Y	97.4	Very high	97.8	Very high	78 Å²	78	34.3 Å²	34.3	31%	0.306	17%	0.17	S	C	.	.			trans	-50.8	122.9	175.2	176.5	-113.5	0	0	0	111.8	A99 M102 Q143 M145	Y97-A99 HydrophobicContact CE1-CB 3.91Å; Y97-M102 HydrophobicContact CE2-CB 4.31Å; Y97-Q143 HydrophobicContact CD1-CG 4.04Å; Y97-Q143 HydrophobicContact CD2-CB 3.72Å; Y97-Q143 HydrophobicContact CD2-CG 3.75Å; Y97-Q143 HydrophobicContact CE1-CB 4.49Å; Y97-Q143 HydrophobicContact CE1-CG 4.19Å; Y97-Q143 HydrophobicContact CE2-CB 3.52Å; Y97-Q143 HydrophobicContact CE2-CG 3.93Å; Y97-Q143 WeakPolarHBondContact CE2-O 3.42Å; Y97-Q143 HydrophobicContact CG-CB 4.3Å; Y97-Q143 HydrophobicContact CG-CG 3.8Å; Y97-Q143 PolarHBondContact OH-O 2.79Å; Y97-M145 HydrophobicContact CD2-CE 4.1Å; Y97-M145 HydrophobicContact CD2-SD 4.18Å; Y97-M145 HydrophobicContact CE2-SD 4.05Å
98	D	98	Very high	97.9	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.182	19%	0.187	C	C	.	.			trans	-120.2	101.2	177.3	-176.8	-1.5	0	0	0	108.3	K78 W80 R96 E100 L101 M102	K78-D98 WeakPolarHBondContact CE-OD2 3.45Å; K78-D98 IonicContact NZ-OD1 3.26Å; K78-D98 PolarHBondContact NZ-OD1 2.86Å; K78-D98 IonicContact NZ-OD2 3.23Å; K78-D98 PolarHBondContact NZ-OD2 2.77Å; W80-D98 PolarHBondContact NE1-OD2 2.7Å; R96-D98 PolarHBondContact O-N 3.07Å; D98-E100 PolarHBondContact O-N 3.14Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 2.92Å; D98-L101 HydrophobicContact CB-CB 3.92Å; D98-L101 WeakPolarHBondContact O-CB 3.42Å; D98-L101 PolarHBondContact O-N 2.91Å; D98-L101 PolarHBondContact OD1-N 3.5Å; D98-M102 PolarHBondContact O-N 2.79Å
99	A	97.9	Very high	97.8	Very high	29 Å²	29	39.3 Å²	39.3	24%	0.24	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-30.4	179.3	0	0	0	0	0	112.4	P52 Y97 M102 C103	P52-A99 HydrophobicContact CB-CB 3.76Å; P52-A99 HydrophobicContact CG-CB 3.72Å; Y97-A99 HydrophobicContact CE1-CB 3.91Å; A99-M102 PolarHBondContact O-N 3.2Å; A99-C103 WeakPolarHBondContact O-CB 3.26Å; A99-C103 PolarHBondContact O-N 2.78Å; A99-C103 PolarHBondContact O-SG 3.15Å
100	E	98.4	Very high	97.8	Very high	86 Å²	86	39.1 Å²	39.1	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-68.7	-42.5	178.3	-163.8	-166.7	179.7	0	0	110.8	K78 W80 K81 D98 F104	K78-E100 WeakPolarHBondContact CE-OE2 3.13Å; K78-E100 IonicContact NZ-OE2 3.75Å; K78-E100 PolarHBondContact NZ-OE2 2.81Å; W80-E100 HydrophobicContact CH2-CB 4.29Å; W80-E100 HydrophobicContact CH2-CG 3.79Å; W80-E100 HydrophobicContact CZ2-CB 3.96Å; W80-E100 HydrophobicContact CZ2-CG 3.87Å; K81-E100 VanDerWaalsContact CE-CD 3.48Å; K81-E100 WeakPolarHBondContact CE-OE1 3.27Å; K81-E100 WeakPolarHBondContact CE-OE2 3.22Å; K81-E100 VanDerWaalsContact NZ-CD 3.32Å; K81-E100 IonicContact NZ-OE1 3.27Å; K81-E100 PolarHBondContact NZ-OE1 2.78Å; K81-E100 IonicContact NZ-OE2 2.64Å; K81-E100 PolarHBondContact NZ-OE2 2.92Å; D98-E100 PolarHBondContact O-N 3.14Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 2.92Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.18Å
101	L	98.6	Very high	97.8	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-49.6	172.8	169.6	55.6	0	0	0	110.7	W80 W85 V91 D98 C103 F104 A105	W80-L101 HydrophobicContact CB-CD1 3.84Å; W80-L101 HydrophobicContact CD2-CB 4.06Å; W80-L101 HydrophobicContact CD2-CD1 3.71Å; W80-L101 HydrophobicContact CD2-CG 4.39Å; W80-L101 HydrophobicContact CE3-CD1 3.97Å; W80-L101 HydrophobicContact CG-CB 4.3Å; W80-L101 HydrophobicContact CG-CD1 3.65Å; W80-L101 HydrophobicContact CG-CD2 4.35Å; W80-L101 HydrophobicContact CG-CG 4.31Å; W80-L101 HydrophobicContact CZ2-CB 4.12Å; W85-L101 HydrophobicContact CH2-CD1 3.79Å; W85-L101 HydrophobicContact CZ2-CD1 3.95Å; V91-L101 HydrophobicContact CG1-CD2 4.34Å; D98-L101 HydrophobicContact CB-CB 3.92Å; D98-L101 WeakPolarHBondContact O-CB 3.42Å; D98-L101 PolarHBondContact O-N 2.91Å; D98-L101 PolarHBondContact OD1-N 3.5Å; L101-C103 PolarHBondContact O-N 2.93Å; L101-F104 PolarHBondContact O-N 3.03Å; L101-A105 VanDerWaalsContact O-CB 3.27Å; L101-A105 WeakPolarHBondContact O-CB 3.47Å; L101-A105 PolarHBondContact O-N 2.95Å
102	M	98.4	Very high	97.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-56.2	-54	179.6	180	-79	-66.1	0	0	111.2	P52 Y97 D98 A99 F104 A105 H106 F144	P52-M102 HydrophobicContact CG-CE 3.51Å; Y97-M102 HydrophobicContact CE2-CB 4.31Å; D98-M102 PolarHBondContact O-N 2.79Å; A99-M102 PolarHBondContact O-N 3.2Å; M102-F104 VanDerWaalsContact C-N 3.32Å; M102-F104 PolarHBondContact O-N 3.21Å; M102-A105 PolarHBondContact O-N 3.49Å; M102-H106 PolarHBondContact O-CD2 3.28Å; M102-H106 VanDerWaalsContact O-CD2 3.26Å; M102-H106 PolarHBondContact O-N 2.79Å; M102-F144 HydrophobicContact CE-CB 3.88Å; M102-F144 HydrophobicContact CE-CD2 4.04Å; M102-F144 HydrophobicContact CE-CG 4.29Å; M102-F144 HydrophobicContact SD-CB 3.97Å
103	C	98.5	Very high	97.8	Very high	18 Å²	18	40 Å²	40	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-40.9	179.6	-65.1	0	0	0	0	112.4	C53 A99 L101 S107	C53-C103 WeakPolarHBondContact CA-SG 3.01Å; C53-C103 HydrophobicContact CB-CB 3.82Å; C53-C103 WeakPolarHBondContact CB-SG 3.21Å; C53-C103 PolarHBondContact N-SG 3.21Å; C53-C103 VanDerWaalsContact N-SG 3.41Å; C53-C103 WeakPolarHBondContact SG-CA 3.37Å; C53-C103 WeakPolarHBondContact SG-CB 3.03Å; C53-C103 CovalentContact SG-SG 2.03Å; C53-C103 PolarHBondContact SG-SG 3.2Å; A99-C103 WeakPolarHBondContact O-CB 3.26Å; A99-C103 PolarHBondContact O-N 2.78Å; A99-C103 PolarHBondContact O-SG 3.15Å; L101-C103 PolarHBondContact O-N 2.93Å; C103-S107 WeakPolarHBondContact O-CB 3.38Å; C103-S107 PolarHBondContact O-N 3.47Å
104	F	98.6	Very high	97.8	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-67.2	-46.9	179.5	-171.8	-87.2	0	0	0	111.7	W80 W85 E100 L101 M102 H106 S107 K108	W80-F104 HydrophobicContact CE3-CB 4.5Å; W80-F104 HydrophobicContact CE3-CD1 4.19Å; W80-F104 HydrophobicContact CE3-CG 4.42Å; W80-F104 HydrophobicContact CH2-CB 3.93Å; W80-F104 HydrophobicContact CH2-CG 4.25Å; W80-F104 HydrophobicContact CZ3-CB 3.56Å; W80-F104 AromaticContact CZ3-CD1 3.71Å; W80-F104 HydrophobicContact CZ3-CD1 3.71Å; W80-F104 HydrophobicContact CZ3-CD2 4.14Å; W80-F104 HydrophobicContact CZ3-CE1 4.46Å; W80-F104 AromaticContact CZ3-CG 3.52Å; W80-F104 HydrophobicContact CZ3-CG 3.52Å; W85-F104 AromaticContact CD1-CE1 3.46Å; W85-F104 VanDerWaalsContact CD1-CE1 3.46Å; W85-F104 HydrophobicContact CD2-CD1 4.04Å; W85-F104 AromaticContact CD2-CE1 3.7Å; W85-F104 HydrophobicContact CD2-CE1 3.7Å; W85-F104 AromaticContact CE2-CD1 3.64Å; W85-F104 AromaticContact CE2-CE1 3.5Å; W85-F104 VanDerWaalsContact CE2-CE1 3.5Å; W85-F104 HydrophobicContact CG-CD1 4.46Å; W85-F104 AromaticContact CG-CE1 3.65Å; W85-F104 HydrophobicContact CG-CE1 3.65Å; W85-F104 HydrophobicContact CH2-CD1 4.42Å; W85-F104 AromaticContact CZ2-CD1 3.86Å; W85-F104 HydrophobicContact CZ2-CD1 3.86Å; W85-F104 HydrophobicContact CZ2-CE1 4.19Å; W85-F104 AromaticContact NE1-CD1 3.87Å; W85-F104 AromaticContact NE1-CE1 3.33Å; W85-F104 VanDerWaalsContact NE1-CE1 3.33Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.18Å; L101-F104 PolarHBondContact O-N 3.03Å; M102-F104 VanDerWaalsContact C-N 3.32Å; M102-F104 PolarHBondContact O-N 3.21Å; F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 PolarHBondContact O-N 2.76Å; F104-S107 WeakPolarHBondContact O-CB 3.4Å; F104-S107 PolarHBondContact O-N 3.31Å; F104-S107 VanDerWaalsContact O-N 3.11Å; F104-S107 PolarHBondContact O-OG 3.27Å; F104-K108 HydrophobicContact CD1-CG 4.24Å; F104-K108 HydrophobicContact CE1-CD 4.45Å; F104-K108 HydrophobicContact CE1-CG 3.89Å; F104-K108 VanDerWaalsContact CZ-CE 3.43Å; F104-K108 HydrophobicContact CZ-CG 4.48Å; F104-K108 WeakPolarHBondContact O-CG 3.44Å; F104-K108 PolarHBondContact O-N 2.98Å
105	A	98.4	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.1	-46.6	176.7	0	0	0	0	0	111	W85 L101 M102 S107 K108 G109 A110 V112	W85-A105 HydrophobicContact CH2-CB 3.66Å; W85-A105 HydrophobicContact CZ3-CB 3.64Å; L101-A105 VanDerWaalsContact O-CB 3.27Å; L101-A105 WeakPolarHBondContact O-CB 3.47Å; L101-A105 PolarHBondContact O-N 2.95Å; M102-A105 PolarHBondContact O-N 3.49Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.12Å; A105-K108 CarbonylContact O-C 3.6Å; A105-K108 WeakPolarHBondContact O-CA 3.29Å; A105-K108 WeakPolarHBondContact O-CB 3.22Å; A105-K108 PolarHBondContact O-N 3.17Å; A105-G109 PolarHBondContact O-N 3.01Å; A105-A110 CarbonylContact C-O 3.52Å; A105-A110 HydrophobicContact CB-CB 4.31Å; A105-A110 PolarHBondContact O-N 3.34Å; A105-V112 HydrophobicContact CB-CG2 3.4Å; A105-V112 VanDerWaalsContact CB-CG2 3.4Å
106	H	98.1	Very high	98	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.032	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-34.1	178.4	-71.8	-156	0	0	0	111.7	L58 I62 M102 F104 K108 G109 A110 F144 D146	L58-H106 HydrophobicContact CB-CB 4.26Å; L58-H106 HydrophobicContact CD2-CB 4.38Å; L58-H106 WeakPolarHBondContact O-CB 3.39Å; L58-H106 PolarHBondContact O-ND1 2.98Å; I62-H106 HydrophobicContact CD1-CB 4.08Å; M102-H106 PolarHBondContact O-CD2 3.28Å; M102-H106 VanDerWaalsContact O-CD2 3.26Å; M102-H106 PolarHBondContact O-N 2.79Å; F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 PolarHBondContact O-N 2.76Å; H106-K108 PolarHBondContact O-N 3.46Å; H106-G109 PolarHBondContact O-N 2.88Å; H106-A110 PolarHBondContact CD2-O 3.3Å; H106-F144 PolarHBondContact CE1-O 2.98Å; H106-F144 VanDerWaalsContact CE1-O 3.3Å; H106-D146 IonicContact CD2-OD2 3.72Å; H106-D146 IonicContact CE1-OD1 2.79Å; H106-D146 IonicContact CE1-OD2 3.6Å; H106-D146 PolarHBondContact CE1-OD2 2.93Å; H106-D146 IonicContact NE2-OD2 2.83Å; H106-D146 PolarHBondContact NE2-OD2 3.1Å
107	S	97.7	Very high	98.1	Very high	55 Å²	55	33 Å²	33	39%	0.385	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-20.2	172.7	85.6	0	0	0	0	113.6	C103 F104 A105	C103-S107 WeakPolarHBondContact O-CB 3.38Å; C103-S107 PolarHBondContact O-N 3.47Å; F104-S107 WeakPolarHBondContact O-CB 3.4Å; F104-S107 PolarHBondContact O-N 3.31Å; F104-S107 VanDerWaalsContact O-N 3.11Å; F104-S107 PolarHBondContact O-OG 3.27Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.12Å
108	K	97.4	Very high	98.1	Very high	104 Å²	104	29.7 Å²	29.7	45%	0.452	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.8	173.9	-57.1	-61	-179.4	-177.3	0	112.8	W85 F104 A105 H106 A110	W85-K108 HydrophobicContact CB-CD 4.25Å; W85-K108 HydrophobicContact CB-CG 3.99Å; W85-K108 HydrophobicContact CD2-CG 4.22Å; W85-K108 HydrophobicContact CE3-CB 4.09Å; W85-K108 HydrophobicContact CE3-CG 4.09Å; W85-K108 HydrophobicContact CG-CG 4.21Å; F104-K108 HydrophobicContact CD1-CG 4.24Å; F104-K108 HydrophobicContact CE1-CD 4.45Å; F104-K108 HydrophobicContact CE1-CG 3.89Å; F104-K108 VanDerWaalsContact CZ-CE 3.43Å; F104-K108 HydrophobicContact CZ-CG 4.48Å; F104-K108 WeakPolarHBondContact O-CG 3.44Å; F104-K108 PolarHBondContact O-N 2.98Å; A105-K108 CarbonylContact O-C 3.6Å; A105-K108 WeakPolarHBondContact O-CA 3.29Å; A105-K108 WeakPolarHBondContact O-CB 3.22Å; A105-K108 PolarHBondContact O-N 3.17Å; H106-K108 PolarHBondContact O-N 3.46Å; K108-A110 PolarHBondContact O-N 3.45Å
109	G	96.4	Very high	98.1	Very high	24 Å²	24	33.5 Å²	33.5	25%	0.247	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	14.2	-174.9	0	0	0	0	0	113.8	I62 R66 A105 H106	I62-G109 WeakPolarHBondContact CG2-O 3.37Å; R66-G109 PolarHBondContact NH2-O 3.41Å; A105-G109 PolarHBondContact O-N 3.01Å; H106-G109 PolarHBondContact O-N 2.88Å
110	A	97.8	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.			trans	-89.7	142.4	177.7	0	0	0	0	0	110.5	W85 V88 T89 A105 H106 K108	W85-A110 HydrophobicContact CE3-CB 4.26Å; W85-A110 HydrophobicContact CZ3-CB 3.88Å; V88-A110 HydrophobicContact CG1-CB 4.26Å; T89-A110 CarbonylContact O-C 3.54Å; T89-A110 VanDerWaalsContact O-CA 3.3Å; T89-A110 WeakPolarHBondContact O-CA 3.46Å; A105-A110 CarbonylContact C-O 3.52Å; A105-A110 HydrophobicContact CB-CB 4.31Å; A105-A110 PolarHBondContact O-N 3.34Å; H106-A110 PolarHBondContact CD2-O 3.3Å; K108-A110 PolarHBondContact O-N 3.45Å
111	R	98.4	Very high	98.1	Very high	15 Å²	15	31.2 Å²	31.2	6%	0.057	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	150.4	177.6	-59.7	-173.8	172.8	-67.4	-5.5	111.2	I62 G64 T89 T90 V91 D146 G183	I62-R111 HydrophobicContact CB-CG 4.15Å; I62-R111 HydrophobicContact CG2-CG 4.22Å; I62-R111 PolarHBondContact O-NH1 2.93Å; I62-R111 PolarHBondContact O-NH2 2.77Å; G64-R111 PolarHBondContact O-NH2 3Å; T89-R111 PolarHBondContact O-N 2.93Å; T90-R111 CarbonylContact C-O 3.44Å; T90-R111 WeakPolarHBondContact CA-O 3.36Å; T90-R111 HydrophobicContact CG2-CB 4.12Å; V91-R111 PolarHBondContact N-O 2.88Å; R111-D146 WeakPolarHBondContact CA-OD2 3.34Å; R111-D146 HydrophobicContact CB-CB 3.93Å; R111-D146 HydrophobicContact CG-CB 4.25Å; R111-D146 IonicContact NH1-OD1 3.63Å; R111-G183 PolarHBondContact NH1-O 2.79Å
112	V	98.6	Very high	98	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118	164.7	-172.5	0	0	0	0	109.9	V91 A93 A105 M145 D146	V91-V112 HydrophobicContact CB-CG2 4.44Å; V91-V112 CarbonylContact O-C 3.37Å; V91-V112 WeakPolarHBondContact O-CA 3.32Å; A93-V112 HydrophobicContact CB-CG1 4.09Å; A105-V112 HydrophobicContact CB-CG2 3.4Å; A105-V112 VanDerWaalsContact CB-CG2 3.4Å; V112-M145 HydrophobicContact CB-SD 4.38Å; V112-M145 HydrophobicContact CG1-CE 3.93Å; V112-M145 HydrophobicContact CG1-SD 3.86Å; V112-M145 CarbonylContact O-C 3.55Å; V112-M145 WeakPolarHBondContact O-CA 3.42Å; V112-D146 PolarHBondContact N-OD2 2.92Å; V112-D146 PolarHBondContact O-N 3.35Å
113	V	98.8	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.2	-178.9	-59.5	0	0	0	0	111.1	F71 T90 V91 A92 A93 N149 Q185	F71-V113 HydrophobicContact CZ-CG2 4.23Å; T90-V113 HydrophobicContact CG2-CG1 4.08Å; T90-V113 HydrophobicContact CG2-CG2 3.98Å; V91-V113 PolarHBondContact O-N 2.91Å; A92-V113 HydrophobicContact CB-CG2 3.9Å; A93-V113 PolarHBondContact N-O 2.96Å; V113-N149 HydrophobicContact CG2-CB 3.91Å; V113-Q185 HydrophobicContact CG1-CB 4.41Å
114	L	98.6	Very high	98	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	151.6	174	-71.4	175.4	0	0	0	111.3	Q136 L139 A140 M145 G147 I148 N149	L114-Q136 WeakPolarHBondContact CD1-O 3.48Å; L114-L139 HydrophobicContact CD1-CB 4.26Å; L114-L139 HydrophobicContact CD1-CD2 4.26Å; L114-L139 HydrophobicContact CD1-CG 4.25Å; L114-L139 HydrophobicContact CD2-CD2 4.06Å; L114-L139 HydrophobicContact CD2-CG 4.15Å; L114-A140 HydrophobicContact CD1-CB 3.7Å; L114-A140 HydrophobicContact CG-CB 4.38Å; L114-M145 HydrophobicContact CD2-CB 4.43Å; L114-M145 HydrophobicContact CD2-CE 3.74Å; L114-M145 HydrophobicContact CD2-CG 3.69Å; L114-M145 HydrophobicContact CG-CB 4.06Å; L114-M145 HydrophobicContact CG-CE 4.47Å; L114-M145 HydrophobicContact CG-CG 3.88Å; L114-G147 PolarHBondContact N-O 3.27Å; L114-I148 HydrophobicContact CB-CB 4.26Å; L114-I148 HydrophobicContact CB-CG1 4.05Å; L114-I148 CarbonylContact O-C 3.53Å; L114-I148 WeakPolarHBondContact O-CA 3.45Å; L114-N149 PolarHBondContact O-N 3.35Å
115	K	98.1	Very high	98	Very high	70 Å²	70	37.7 Å²	37.7	30%	0.304	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.5	153.2	-176.7	-175.8	-174.4	166.8	0	109.9	A93 F94 D151	A93-K115 PolarHBondContact O-N 3.4Å; F94-K115 HydrophobicContact CB-CD 4.48Å; F94-K115 HydrophobicContact CD1-CD 3.55Å; F94-K115 HydrophobicContact CD1-CG 4.22Å; F94-K115 HydrophobicContact CD2-CB 3.81Å; F94-K115 HydrophobicContact CD2-CD 4.15Å; F94-K115 HydrophobicContact CD2-CG 3.98Å; F94-K115 HydrophobicContact CE1-CD 3.67Å; F94-K115 VanDerWaalsContact CE1-CE 3.46Å; F94-K115 HydrophobicContact CE1-CG 4.09Å; F94-K115 HydrophobicContact CE2-CB 3.97Å; F94-K115 HydrophobicContact CE2-CD 4.22Å; F94-K115 HydrophobicContact CE2-CG 3.8Å; F94-K115 HydrophobicContact CG-CB 4.22Å; F94-K115 HydrophobicContact CG-CD 3.8Å; F94-K115 HydrophobicContact CG-CG 4.17Å; F94-K115 HydrophobicContact CZ-CD 4Å; F94-K115 HydrophobicContact CZ-CG 3.87Å; K115-D151 VanDerWaalsContact CE-OD2 3.27Å; K115-D151 WeakPolarHBondContact CE-OD2 3.31Å; K115-D151 IonicContact NZ-OD2 2.68Å; K115-D151 PolarHBondContact NZ-OD2 2.86Å
116	G	97.8	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	164.2	0	0	0	0	0	111.2	N149 I150 D151	G116-N149 PolarHBondContact N-O 3.14Å; G116-I150 CarbonylContact O-C 3.56Å; G116-I150 WeakPolarHBondContact O-CA 3.45Å; G116-D151 PolarHBondContact O-N 3.33Å
117	D	97.3	Very high	98	Very high	89 Å²	89	46 Å²	46	48%	0.476	25%	0.247	S	C	.	.			trans	-143.3	139.5	168.6	176	17.2	0	0	0	107.9	W132	D117-W132 PolarHBondContact O-NE1 3.19Å
118	V	98	Very high	98.1	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	24%	0.238	C	C	.	.			trans	-150.6	141.9	-176.8	69.4	0	0	0	0	111.2	I120 Y122 I123 W132 V152 Q154 L169	V118-I120 PolarHBondContact O-N 2.91Å; V118-Y122 HydrophobicContact CG2-CD1 4.14Å; V118-I123 HydrophobicContact CB-CG2 4.3Å; V118-I123 HydrophobicContact CG1-CD1 4.16Å; V118-I123 HydrophobicContact CG1-CG2 3.88Å; V118-I123 HydrophobicContact CG2-CG2 3.43Å; V118-I123 VanDerWaalsContact CG2-CG2 3.43Å; V118-W132 HydrophobicContact CB-CD2 4.28Å; V118-W132 HydrophobicContact CB-CG 4.45Å; V118-W132 HydrophobicContact CB-CZ2 4.12Å; V118-W132 HydrophobicContact CG1-CZ2 4.36Å; V118-W132 HydrophobicContact CG2-CD2 4.3Å; V118-W132 HydrophobicContact CG2-CG 4Å; V118-V152 HydrophobicContact CG1-CG2 4.16Å; V118-Q154 PolarHBondContact O-NE2 2.92Å; V118-L169 HydrophobicContact CG1-CD1 4.48Å; V118-L169 HydrophobicContact CG1-CD2 3.67Å
119	H	97.9	Very high	98.1	Very high	113 Å²	113	41 Å²	41	52%	0.523	22%	0.219	S	C	.	.			trans	-68.1	122	175.5	-172.3	46	0	0	0	110.6	P121 Y122 Q154	H119-P121 VanDerWaalsContact CE1-CD 3.45Å; H119-P121 WeakPolarHBondContact CE1-CD 3.47Å; H119-Y122 VanDerWaalsContact O-CB 3.27Å; H119-Y122 WeakPolarHBondContact O-CB 3.41Å; H119-Y122 PolarHBondContact O-N 3.11Å; H119-Y122 VanDerWaalsContact O-N 3.07Å; H119-Q154 PolarHBondContact ND1-OE1 2.88Å
120	I	97.5	Very high	98.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-44.2	-170.7	-57.5	179.2	0	0	0	112.9	V118 Y122 I123 V124 V152 Q154 V156 E162 L166	V118-I120 PolarHBondContact O-N 2.91Å; I120-Y122 PolarHBondContact O-N 3.35Å; I120-Y122 VanDerWaalsContact O-N 3.07Å; I120-I123 HydrophobicContact CG2-CD1 4.27Å; I120-I123 HydrophobicContact CG2-CG1 4.29Å; I120-I123 WeakPolarHBondContact O-CG1 3.39Å; I120-I123 PolarHBondContact O-N 3.5Å; I120-I123 VanDerWaalsContact O-N 3.07Å; I120-V124 PolarHBondContact O-N 3.19Å; I120-V152 HydrophobicContact CD1-CG1 3.47Å; I120-V152 VanDerWaalsContact CD1-CG1 3.47Å; I120-V152 HydrophobicContact CG1-CG1 3.47Å; I120-V152 VanDerWaalsContact CG1-CG1 3.47Å; I120-Q154 HydrophobicContact CD1-CB 3.71Å; I120-Q154 HydrophobicContact CG1-CB 4.12Å; I120-V156 HydrophobicContact CD1-CG2 3.28Å; I120-V156 HydrophobicContact CG2-CG2 4.48Å; I120-E162 HydrophobicContact CG2-CB 3.46Å; I120-E162 VanDerWaalsContact CG2-CB 3.46Å; I120-E162 HydrophobicContact CG2-CG 3.73Å; I120-L166 HydrophobicContact CD1-CD2 4.33Å
121	P	98.1	Very high	98.3	Very high	66 Å²	66	48.4 Å²	48.4	43%	0.429	25%	0.247	S	C	.	.	H	α-helix	trans	-56.5	-27	175	-28.9	36.7	0	0	0	114.3	H119	H119-P121 VanDerWaalsContact CE1-CD 3.45Å; H119-P121 WeakPolarHBondContact CE1-CD 3.47Å
122	Y	98.2	Very high	98.3	Very high	86 Å²	86	48.6 Å²	48.6	34%	0.337	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-37.2	177.8	176.5	-105.6	0	0	0	112.6	V118 H119 I120 V124 N128 R131	V118-Y122 HydrophobicContact CG2-CD1 4.14Å; H119-Y122 VanDerWaalsContact O-CB 3.27Å; H119-Y122 WeakPolarHBondContact O-CB 3.41Å; H119-Y122 PolarHBondContact O-N 3.11Å; H119-Y122 VanDerWaalsContact O-N 3.07Å; I120-Y122 PolarHBondContact O-N 3.35Å; I120-Y122 VanDerWaalsContact O-N 3.07Å; Y122-V124 VanDerWaalsContact C-N 3.35Å; Y122-N128 HydrophobicContact CD1-CB 4.03Å; Y122-N128 HydrophobicContact CD2-CB 4.14Å; Y122-N128 WeakPolarHBondContact CD2-ND2 3.45Å; Y122-N128 HydrophobicContact CE1-CB 3.63Å; Y122-N128 HydrophobicContact CE2-CB 3.75Å; Y122-N128 VanDerWaalsContact CE2-ND2 3.32Å; Y122-N128 WeakPolarHBondContact CE2-ND2 3.34Å; Y122-N128 HydrophobicContact CG-CB 4.27Å; Y122-N128 VanDerWaalsContact CZ-CB 3.47Å; Y122-N128 VanDerWaalsContact CZ-CG 3.47Å; Y122-N128 WeakPolarHBondContact O-CB 3.32Å; Y122-N128 PolarHBondContact O-ND2 3.19Å; Y122-N128 PolarHBondContact OH-OD1 3.32Å; Y122-R131 PolarHBondContact OH-NH1 3.12Å; Y122-R131 VanDerWaalsContact OH-NH1 3.08Å
123	I	98.1	Very high	98.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-86.8	-2.7	-175.4	60.1	167.2	0	0	0	113.7	V118 I120 D125 R129 A165 L169	V118-I123 HydrophobicContact CB-CG2 4.3Å; V118-I123 HydrophobicContact CG1-CD1 4.16Å; V118-I123 HydrophobicContact CG1-CG2 3.88Å; V118-I123 HydrophobicContact CG2-CG2 3.43Å; V118-I123 VanDerWaalsContact CG2-CG2 3.43Å; I120-I123 HydrophobicContact CG2-CD1 4.27Å; I120-I123 HydrophobicContact CG2-CG1 4.29Å; I120-I123 WeakPolarHBondContact O-CG1 3.39Å; I120-I123 PolarHBondContact O-N 3.5Å; I120-I123 VanDerWaalsContact O-N 3.07Å; I123-D125 PolarHBondContact O-N 2.84Å; I123-R129 HydrophobicContact CB-CB 4.15Å; I123-R129 HydrophobicContact CB-CG 4.17Å; I123-R129 HydrophobicContact CG2-CB 4.48Å; I123-R129 HydrophobicContact CG2-CG 4.49Å; I123-R129 PolarHBondContact O-NH1 2.57Å; I123-A165 HydrophobicContact CG1-CB 4.38Å; I123-L169 HydrophobicContact CD1-CB 3.97Å; I123-L169 HydrophobicContact CD1-CD1 4.29Å; I123-L169 HydrophobicContact CD1-CD2 3.83Å; I123-L169 HydrophobicContact CD1-CG 4.25Å; I123-L169 HydrophobicContact CG2-CD1 4.14Å
124	V	98.5	Very high	98.3	Very high	58 Å²	58	52.6 Å²	52.6	35%	0.352	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-39.7	169.3	175.4	0	0	0	0	110	I120 Y122 Q126 P161 E162 A165	I120-V124 PolarHBondContact O-N 3.19Å; Y122-V124 VanDerWaalsContact C-N 3.35Å; V124-Q126 PolarHBondContact O-N 3.43Å; V124-P161 HydrophobicContact CG1-CB 3.88Å; V124-P161 HydrophobicContact CG2-CB 4.37Å; V124-E162 HydrophobicContact CG2-CG 4Å; V124-A165 HydrophobicContact CB-CB 4.39Å; V124-A165 HydrophobicContact CG2-CB 3.99Å
125	D	98.6	Very high	98.4	Very high	82 Å²	82	57.2 Å²	57.2	44%	0.439	29%	0.294	S	S	.	.	S	Bend	trans	-72.2	121.9	169.3	-178	-69.5	0	0	0	110.5	I123 A127 N128 R129	I123-D125 PolarHBondContact O-N 2.84Å; D125-A127 VanDerWaalsContact C-N 3.31Å; D125-A127 PolarHBondContact O-N 3.33Å; D125-A127 WeakPolarHBondContact OD1-CA 3.5Å; D125-A127 VanDerWaalsContact OD1-CB 3.3Å; D125-A127 WeakPolarHBondContact OD1-CB 3.33Å; D125-A127 PolarHBondContact OD1-N 3.25Å; D125-N128 HydrophobicContact CB-CB 4.1Å; D125-N128 WeakPolarHBondContact O-CB 3.13Å; D125-N128 PolarHBondContact O-N 3.01Å; D125-N128 PolarHBondContact OD1-N 2.92Å; D125-R129 PolarHBondContact O-N 2.84Å
126	Q	98.5	Very high	98.4	Very high	125 Å²	125	55.1 Å²	55.1	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-32.9	-176.8	-179.6	175.3	1.2	0	0	113.4	V124 R129 T130	V124-Q126 PolarHBondContact O-N 3.43Å; Q126-R129 PolarHBondContact O-N 2.84Å; Q126-T130 WeakPolarHBondContact O-CB 3.25Å; Q126-T130 PolarHBondContact O-N 2.77Å; Q126-T130 PolarHBondContact O-OG1 2.91Å
127	A	98.6	Very high	98.4	Very high	58 Å²	58	55.6 Å²	55.6	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-71.1	-38.5	178.8	0	0	0	0	0	111	D125 R131	D125-A127 VanDerWaalsContact C-N 3.31Å; D125-A127 PolarHBondContact O-N 3.33Å; D125-A127 WeakPolarHBondContact OD1-CA 3.5Å; D125-A127 VanDerWaalsContact OD1-CB 3.3Å; D125-A127 WeakPolarHBondContact OD1-CB 3.33Å; D125-A127 PolarHBondContact OD1-N 3.25Å; A127-R131 WeakPolarHBondContact O-CB 3.43Å; A127-R131 PolarHBondContact O-N 3.33Å
128	N	98.8	Very high	98.5	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.193	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-44.4	172.2	-74.6	-15.9	0	0	0	111.9	Y122 D125 R131 W132	Y122-N128 HydrophobicContact CD1-CB 4.03Å; Y122-N128 HydrophobicContact CD2-CB 4.14Å; Y122-N128 WeakPolarHBondContact CD2-ND2 3.45Å; Y122-N128 HydrophobicContact CE1-CB 3.63Å; Y122-N128 HydrophobicContact CE2-CB 3.75Å; Y122-N128 VanDerWaalsContact CE2-ND2 3.32Å; Y122-N128 WeakPolarHBondContact CE2-ND2 3.34Å; Y122-N128 HydrophobicContact CG-CB 4.27Å; Y122-N128 VanDerWaalsContact CZ-CB 3.47Å; Y122-N128 VanDerWaalsContact CZ-CG 3.47Å; Y122-N128 WeakPolarHBondContact O-CB 3.32Å; Y122-N128 PolarHBondContact O-ND2 3.19Å; Y122-N128 PolarHBondContact OH-OD1 3.32Å; D125-N128 HydrophobicContact CB-CB 4.1Å; D125-N128 WeakPolarHBondContact O-CB 3.13Å; D125-N128 PolarHBondContact O-N 3.01Å; D125-N128 PolarHBondContact OD1-N 2.92Å; N128-R131 PolarHBondContact O-N 3.25Å; N128-R131 PolarHBondContact OD1-NH1 3.27Å; N128-W132 PolarHBondContact O-N 2.77Å
129	R	98.6	Very high	98.5	Very high	17 Å²	17	57 Å²	57	6%	0.064	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-49.8	175.3	-168.9	167.5	65.1	-113.7	6.8	111.9	I123 D125 Q126 R131 W132 I133 L169 E172	I123-R129 HydrophobicContact CB-CB 4.15Å; I123-R129 HydrophobicContact CB-CG 4.17Å; I123-R129 HydrophobicContact CG2-CB 4.48Å; I123-R129 HydrophobicContact CG2-CG 4.49Å; I123-R129 PolarHBondContact O-NH1 2.57Å; D125-R129 PolarHBondContact O-N 2.84Å; Q126-R129 PolarHBondContact O-N 2.84Å; R129-R131 VanDerWaalsContact C-N 3.3Å; R129-R131 PolarHBondContact O-N 3.37Å; R129-W132 PolarHBondContact O-N 3.2Å; R129-I133 HydrophobicContact CG-CD1 4.07Å; R129-I133 VanDerWaalsContact O-CG1 3.28Å; R129-I133 WeakPolarHBondContact O-CG1 3.27Å; R129-I133 PolarHBondContact O-N 3.29Å; R129-L169 HydrophobicContact CG-CB 4.33Å; R129-L169 HydrophobicContact CG-CD1 3.58Å; R129-E172 IonicContact CZ-OE1 2.76Å; R129-E172 IonicContact CZ-OE2 3.02Å; R129-E172 VanDerWaalsContact NE-CD 3.32Å; R129-E172 IonicContact NE-OE1 2.91Å; R129-E172 PolarHBondContact NE-OE1 2.83Å; R129-E172 IonicContact NE-OE2 2.74Å; R129-E172 PolarHBondContact NE-OE2 2.83Å; R129-E172 IonicContact NH2-OE1 3.38Å; R129-E172 PolarHBondContact NH2-OE1 3.26Å; R129-E172 IonicContact NH2-OE2 3.54Å
130	T	98.8	Very high	98.5	Very high	65 Å²	65	51.7 Å²	51.7	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-41.3	176.8	-58.1	0	0	0	0	111.9	Q126 I133 T134	Q126-T130 WeakPolarHBondContact O-CB 3.25Å; Q126-T130 PolarHBondContact O-N 2.77Å; Q126-T130 PolarHBondContact O-OG1 2.91Å; T130-I133 PolarHBondContact O-N 3.1Å; T130-T134 WeakPolarHBondContact O-CB 3.28Å; T130-T134 PolarHBondContact O-N 2.9Å; T130-T134 PolarHBondContact O-OG1 2.8Å
131	R	98.8	Very high	98.6	Very high	115 Å²	115	54.2 Å²	54.2	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-51.2	176.7	-175.3	-176.1	-58.3	112.7	2.1	111	Y122 A127 N128 R129 I133 T134 E135	Y122-R131 PolarHBondContact OH-NH1 3.12Å; Y122-R131 VanDerWaalsContact OH-NH1 3.08Å; A127-R131 WeakPolarHBondContact O-CB 3.43Å; A127-R131 PolarHBondContact O-N 3.33Å; N128-R131 PolarHBondContact O-N 3.25Å; N128-R131 PolarHBondContact OD1-NH1 3.27Å; R129-R131 VanDerWaalsContact C-N 3.3Å; R129-R131 PolarHBondContact O-N 3.37Å; R131-I133 VanDerWaalsContact C-N 3.34Å; R131-I133 PolarHBondContact O-N 3.27Å; R131-T134 PolarHBondContact O-N 2.95Å; R131-E135 WeakPolarHBondContact CG-OE1 3.27Å; R131-E135 WeakPolarHBondContact O-CG 3.32Å; R131-E135 PolarHBondContact O-N 2.89Å
132	W	98.8	Very high	98.6	Very high	18 Å²	18	57.6 Å²	57.6	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-45.8	178.6	-180	89.6	0	0	0	111.5	D117 V118 N128 R129 T134 E135 Q136 I148 I150 L169	D117-W132 PolarHBondContact O-NE1 3.19Å; V118-W132 HydrophobicContact CB-CD2 4.28Å; V118-W132 HydrophobicContact CB-CG 4.45Å; V118-W132 HydrophobicContact CB-CZ2 4.12Å; V118-W132 HydrophobicContact CG1-CZ2 4.36Å; V118-W132 HydrophobicContact CG2-CD2 4.3Å; V118-W132 HydrophobicContact CG2-CG 4Å; N128-W132 PolarHBondContact O-N 2.77Å; R129-W132 PolarHBondContact O-N 3.2Å; W132-T134 VanDerWaalsContact C-N 3.34Å; W132-T134 PolarHBondContact O-N 2.65Å; W132-E135 WeakPolarHBondContact O-CB 3.36Å; W132-E135 PolarHBondContact O-N 2.9Å; W132-Q136 HydrophobicContact CD2-CG 3.9Å; W132-Q136 HydrophobicContact CE3-CG 4.04Å; W132-Q136 HydrophobicContact CH2-CG 3.88Å; W132-Q136 HydrophobicContact CZ2-CG 3.71Å; W132-Q136 HydrophobicContact CZ3-CG 4.03Å; W132-Q136 WeakPolarHBondContact O-CG 3.34Å; W132-Q136 PolarHBondContact O-N 2.94Å; W132-I148 HydrophobicContact CH2-CD1 3.97Å; W132-I148 HydrophobicContact CZ2-CD1 4.45Å; W132-I150 HydrophobicContact CH2-CG1 4.49Å; W132-L169 HydrophobicContact CD2-CD1 4.44Å; W132-L169 HydrophobicContact CE3-CD1 3.56Å; W132-L169 HydrophobicContact CZ3-CD1 3.64Å; W132-L169 HydrophobicContact CZ3-CD2 4.31Å; W132-L169 HydrophobicContact CZ3-CG 4.15Å
133	I	98.9	Very high	98.5	Very high	9 Å²	9	55.2 Å²	55.2	5%	0.046	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-46.2	177.8	-65.3	168.7	0	0	0	110.9	R129 T130 R131 E135 Q136 V137 L169 E172 A176	R129-I133 HydrophobicContact CG-CD1 4.07Å; R129-I133 VanDerWaalsContact O-CG1 3.28Å; R129-I133 WeakPolarHBondContact O-CG1 3.27Å; R129-I133 PolarHBondContact O-N 3.29Å; T130-I133 PolarHBondContact O-N 3.1Å; R131-I133 VanDerWaalsContact C-N 3.34Å; R131-I133 PolarHBondContact O-N 3.27Å; I133-E135 VanDerWaalsContact C-N 3.3Å; I133-E135 PolarHBondContact O-N 3.17Å; I133-Q136 PolarHBondContact O-N 3.44Å; I133-V137 HydrophobicContact CG2-CG2 4.44Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 3.37Å; I133-L169 HydrophobicContact CD1-CD1 4.47Å; I133-L169 HydrophobicContact CG1-CD1 4.3Å; I133-E172 HydrophobicContact CD1-CB 3.47Å; I133-E172 VanDerWaalsContact CD1-CB 3.47Å; I133-A176 HydrophobicContact CG2-CB 3.56Å
134	T	98.8	Very high	98.5	Very high	78 Å²	78	56.6 Å²	56.6	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-39.7	179.5	-57.6	0	0	0	0	111.7	T130 R131 W132 S138	T130-T134 WeakPolarHBondContact O-CB 3.28Å; T130-T134 PolarHBondContact O-N 2.9Å; T130-T134 PolarHBondContact O-OG1 2.8Å; R131-T134 PolarHBondContact O-N 2.95Å; W132-T134 VanDerWaalsContact C-N 3.34Å; W132-T134 PolarHBondContact O-N 2.65Å; T134-S138 VanDerWaalsContact O-CB 3.32Å; T134-S138 WeakPolarHBondContact O-CB 3.47Å; T134-S138 PolarHBondContact O-N 3.01Å; T134-S138 PolarHBondContact O-OG 2.85Å
135	E	98.8	Very high	98.5	Very high	105 Å²	105	54.2 Å²	54.2	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.5	-72.1	170.6	-177.1	0	0	111.6	R131 W132 I133 S138 L139	R131-E135 WeakPolarHBondContact CG-OE1 3.27Å; R131-E135 WeakPolarHBondContact O-CG 3.32Å; R131-E135 PolarHBondContact O-N 2.89Å; W132-E135 WeakPolarHBondContact O-CB 3.36Å; W132-E135 PolarHBondContact O-N 2.9Å; I133-E135 VanDerWaalsContact C-N 3.3Å; I133-E135 PolarHBondContact O-N 3.17Å; E135-S138 PolarHBondContact O-N 2.96Å; E135-L139 WeakPolarHBondContact O-CB 3.34Å; E135-L139 PolarHBondContact O-N 3.25Å
136	Q	98.8	Very high	98.5	Very high	26 Å²	26	50.3 Å²	50.3	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.9	-63.8	-42.6	-54	0	0	112.5	L114 W132 I133 S138 L139 A140 I148 F177	L114-Q136 WeakPolarHBondContact CD1-O 3.48Å; W132-Q136 HydrophobicContact CD2-CG 3.9Å; W132-Q136 HydrophobicContact CE3-CG 4.04Å; W132-Q136 HydrophobicContact CH2-CG 3.88Å; W132-Q136 HydrophobicContact CZ2-CG 3.71Å; W132-Q136 HydrophobicContact CZ3-CG 4.03Å; W132-Q136 WeakPolarHBondContact O-CG 3.34Å; W132-Q136 PolarHBondContact O-N 2.94Å; I133-Q136 PolarHBondContact O-N 3.44Å; Q136-S138 VanDerWaalsContact C-N 3.32Å; Q136-S138 PolarHBondContact O-N 3.36Å; Q136-L139 PolarHBondContact O-N 2.89Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.35Å; Q136-I148 HydrophobicContact CB-CD1 3.92Å; Q136-I148 HydrophobicContact CG-CD1 3.8Å; Q136-F177 HydrophobicContact CB-CE2 4Å; Q136-F177 HydrophobicContact CB-CZ 4.03Å
137	V	98.8	Very high	98.5	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-44	175.9	171.2	0	0	0	0	110.8	I133 L139 A140 K141 A176 F177 E180	I133-V137 HydrophobicContact CG2-CG2 4.44Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 3.37Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.29Å; V137-A140 PolarHBondContact O-N 3.26Å; V137-K141 HydrophobicContact CG1-CD 3.94Å; V137-K141 WeakPolarHBondContact O-CG 3.32Å; V137-K141 PolarHBondContact O-N 3.45Å; V137-A176 HydrophobicContact CG2-CB 4.14Å; V137-F177 HydrophobicContact CG2-CD2 3.57Å; V137-F177 HydrophobicContact CG2-CE2 3.59Å; V137-F177 HydrophobicContact CG2-CG 4.17Å; V137-F177 HydrophobicContact CG2-CZ 4.2Å; V137-E180 HydrophobicContact CG1-CB 3.55Å; V137-E180 HydrophobicContact CG1-CG 3.89Å
138	S	98.6	Very high	98.5	Very high	68 Å²	68	41.6 Å²	41.6	48%	0.476	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-40.6	178	-60.8	0	0	0	0	111.6	T134 E135 Q136 K142	T134-S138 VanDerWaalsContact O-CB 3.32Å; T134-S138 WeakPolarHBondContact O-CB 3.47Å; T134-S138 PolarHBondContact O-N 3.01Å; T134-S138 PolarHBondContact O-OG 2.85Å; E135-S138 PolarHBondContact O-N 2.96Å; Q136-S138 VanDerWaalsContact C-N 3.32Å; Q136-S138 PolarHBondContact O-N 3.36Å; S138-K142 WeakPolarHBondContact O-CB 3.28Å; S138-K142 PolarHBondContact O-N 3.39Å
139	L	98.5	Very high	98.5	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.325	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-46.3	176.1	-175.5	61.6	0	0	0	111.5	L114 E135 Q136 V137 K141 K142 Q143	L114-L139 HydrophobicContact CD1-CB 4.26Å; L114-L139 HydrophobicContact CD1-CD2 4.26Å; L114-L139 HydrophobicContact CD1-CG 4.25Å; L114-L139 HydrophobicContact CD2-CD2 4.06Å; L114-L139 HydrophobicContact CD2-CG 4.15Å; E135-L139 WeakPolarHBondContact O-CB 3.34Å; E135-L139 PolarHBondContact O-N 3.25Å; Q136-L139 PolarHBondContact O-N 2.89Å; V137-L139 VanDerWaalsContact C-N 3.32Å; V137-L139 PolarHBondContact O-N 3.29Å; L139-K141 PolarHBondContact O-N 2.95Å; L139-K142 PolarHBondContact O-N 2.97Å; L139-Q143 HydrophobicContact CD1-CG 4.16Å; L139-Q143 WeakPolarHBondContact O-CB 3.49Å; L139-Q143 PolarHBondContact O-N 2.97Å
140	A	98.4	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-46.9	178.3	0	0	0	0	0	111.3	L114 Q136 V137 K142 Q143 F144 M145 F177 I181	L114-A140 HydrophobicContact CD1-CB 3.7Å; L114-A140 HydrophobicContact CG-CB 4.38Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.35Å; V137-A140 PolarHBondContact O-N 3.26Å; A140-K142 VanDerWaalsContact C-N 3.33Å; A140-K142 PolarHBondContact O-N 3.22Å; A140-Q143 CarbonylContact O-C 3.49Å; A140-Q143 PolarHBondContact O-N 3.41Å; A140-F144 WeakPolarHBondContact O-CA 3.38Å; A140-F144 PolarHBondContact O-N 3.22Å; A140-M145 HydrophobicContact CB-CB 4.12Å; A140-M145 PolarHBondContact O-N 3.41Å; A140-F177 HydrophobicContact CB-CE1 3.67Å; A140-F177 HydrophobicContact CB-CZ 4.17Å; A140-I181 HydrophobicContact CB-CD1 3.58Å
141	K	98.2	Very high	98.5	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-38.3	176.3	-69.4	170.7	78.9	162.5	0	112.4	V137 L139 Q143 E180 I181	V137-K141 HydrophobicContact CG1-CD 3.94Å; V137-K141 WeakPolarHBondContact O-CG 3.32Å; V137-K141 PolarHBondContact O-N 3.45Å; L139-K141 PolarHBondContact O-N 2.95Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; K141-E180 HydrophobicContact CD-CB 4.5Å; K141-E180 IonicContact NZ-OE2 2.71Å; K141-E180 PolarHBondContact NZ-OE2 3.21Å; K141-I181 HydrophobicContact CD-CG1 4.34Å; K141-I181 HydrophobicContact CG-CD1 3.85Å; K141-I181 HydrophobicContact CG-CG1 3.82Å
142	K	97.7	Very high	98.5	Very high	137 Å²	137	31.4 Å²	31.4	60%	0.596	16%	0.159	S	C	*	.	H	α-helix	trans	-68	-35.1	177.6	-178	178.1	177.9	-179.5	0	112.4	S138 L139 A140	S138-K142 WeakPolarHBondContact O-CB 3.28Å; S138-K142 PolarHBondContact O-N 3.39Å; L139-K142 PolarHBondContact O-N 2.97Å; A140-K142 VanDerWaalsContact C-N 3.33Å; A140-K142 PolarHBondContact O-N 3.22Å
143	Q	97.8	Very high	98.4	Very high	35 Å²	35	32.8 Å²	32.8	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-98.9	-0.9	-174.8	-72.9	-176.8	-8.7	0	0	113.9	Y97 L139 A140 K141 M145	Y97-Q143 HydrophobicContact CD1-CG 4.04Å; Y97-Q143 HydrophobicContact CD2-CB 3.72Å; Y97-Q143 HydrophobicContact CD2-CG 3.75Å; Y97-Q143 HydrophobicContact CE1-CB 4.49Å; Y97-Q143 HydrophobicContact CE1-CG 4.19Å; Y97-Q143 HydrophobicContact CE2-CB 3.52Å; Y97-Q143 HydrophobicContact CE2-CG 3.93Å; Y97-Q143 WeakPolarHBondContact CE2-O 3.42Å; Y97-Q143 HydrophobicContact CG-CB 4.3Å; Y97-Q143 HydrophobicContact CG-CG 3.8Å; Y97-Q143 PolarHBondContact OH-O 2.79Å; L139-Q143 HydrophobicContact CD1-CG 4.16Å; L139-Q143 WeakPolarHBondContact O-CB 3.49Å; L139-Q143 PolarHBondContact O-N 2.97Å; A140-Q143 CarbonylContact O-C 3.49Å; A140-Q143 PolarHBondContact O-N 3.41Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-M145 VanDerWaalsContact C-N 3.28Å; Q143-M145 HydrophobicContact CB-CG 3.68Å; Q143-M145 HydrophobicContact CB-SD 4.16Å; Q143-M145 PolarHBondContact O-N 3.47Å
144	F	97.9	Very high	98.3	Very high	30 Å²	30	34.4 Å²	34.4	13%	0.132	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	37	-176.2	-51.2	-82.7	0	0	0	113.2	G49 C51 P52 C59 M102 H106 A140	G49-F144 WeakPolarHBondContact O-CZ 3.47Å; C51-F144 VanDerWaalsContact CA-CZ 3.44Å; C51-F144 HydrophobicContact CB-CE1 4.49Å; C51-F144 HydrophobicContact CB-CZ 4.05Å; P52-F144 VanDerWaalsContact CD-CE2 3.42Å; P52-F144 HydrophobicContact CG-CD2 4.46Å; C59-F144 HydrophobicContact CB-CB 4.45Å; C59-F144 HydrophobicContact CB-CD1 3.48Å; C59-F144 VanDerWaalsContact CB-CD1 3.48Å; C59-F144 HydrophobicContact CB-CE1 3.66Å; C59-F144 HydrophobicContact CB-CG 3.92Å; C59-F144 HydrophobicContact CB-CZ 4.28Å; C59-F144 WeakPolarHBondContact O-CD1 3.02Å; M102-F144 HydrophobicContact CE-CB 3.88Å; M102-F144 HydrophobicContact CE-CD2 4.04Å; M102-F144 HydrophobicContact CE-CG 4.29Å; M102-F144 HydrophobicContact SD-CB 3.97Å; H106-F144 PolarHBondContact CE1-O 2.98Å; H106-F144 VanDerWaalsContact CE1-O 3.3Å; A140-F144 WeakPolarHBondContact O-CA 3.38Å; A140-F144 PolarHBondContact O-N 3.22Å
145	M	98.1	Very high	98.2	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.034	17%	0.171	C	C	.	.			trans	-82.5	143.7	178.3	-51.2	-62.5	-116.7	0	0	110.2	A93 Y97 V112 L114 A140 Q143 G147	A93-M145 HydrophobicContact CB-CE 4.01Å; Y97-M145 HydrophobicContact CD2-CE 4.1Å; Y97-M145 HydrophobicContact CD2-SD 4.18Å; Y97-M145 HydrophobicContact CE2-SD 4.05Å; V112-M145 HydrophobicContact CB-SD 4.38Å; V112-M145 HydrophobicContact CG1-CE 3.93Å; V112-M145 HydrophobicContact CG1-SD 3.86Å; V112-M145 CarbonylContact O-C 3.55Å; V112-M145 WeakPolarHBondContact O-CA 3.42Å; L114-M145 HydrophobicContact CD2-CB 4.43Å; L114-M145 HydrophobicContact CD2-CE 3.74Å; L114-M145 HydrophobicContact CD2-CG 3.69Å; L114-M145 HydrophobicContact CG-CB 4.06Å; L114-M145 HydrophobicContact CG-CE 4.47Å; L114-M145 HydrophobicContact CG-CG 3.88Å; A140-M145 HydrophobicContact CB-CB 4.12Å; A140-M145 PolarHBondContact O-N 3.41Å; Q143-M145 VanDerWaalsContact C-N 3.28Å; Q143-M145 HydrophobicContact CB-CG 3.68Å; Q143-M145 HydrophobicContact CB-SD 4.16Å; Q143-M145 PolarHBondContact O-N 3.47Å; M145-G147 PolarHBondContact O-N 3.37Å
146	D	98.4	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.			trans	-80.4	6	179.2	-63.6	-71.5	0	0	0	113.6	P61 I62 H106 R111 V112 S184 Q185	P61-D146 VanDerWaalsContact CA-OD1 3.22Å; P61-D146 WeakPolarHBondContact CA-OD1 3.02Å; I62-D146 PolarHBondContact N-OD1 3.18Å; H106-D146 IonicContact CD2-OD2 3.72Å; H106-D146 IonicContact CE1-OD1 2.79Å; H106-D146 IonicContact CE1-OD2 3.6Å; H106-D146 PolarHBondContact CE1-OD2 2.93Å; H106-D146 IonicContact NE2-OD2 2.83Å; H106-D146 PolarHBondContact NE2-OD2 3.1Å; R111-D146 WeakPolarHBondContact CA-OD2 3.34Å; R111-D146 HydrophobicContact CB-CB 3.93Å; R111-D146 HydrophobicContact CG-CB 4.25Å; R111-D146 IonicContact NH1-OD1 3.63Å; V112-D146 PolarHBondContact N-OD2 2.92Å; V112-D146 PolarHBondContact O-N 3.35Å; D146-S184 CarbonylContact O-C 3.37Å; D146-S184 WeakPolarHBondContact O-CA 3.37Å; D146-S184 VanDerWaalsContact O-CB 3.26Å; D146-S184 WeakPolarHBondContact O-CB 3.45Å; D146-Q185 PolarHBondContact O-N 3.43Å
147	G	98.4	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-151.2	-178	0	0	0	0	0	113.8	L114 M145 Q185	L114-G147 PolarHBondContact N-O 3.27Å; M145-G147 PolarHBondContact O-N 3.37Å; G147-Q185 VanDerWaalsContact CA-O 3.28Å; G147-Q185 WeakPolarHBondContact CA-O 3.48Å
148	I	98.9	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.1	-174.6	-172	167.2	0	0	0	111.7	L114 W132 Q136 I150 T173 F177 Q185 V186 S187	L114-I148 HydrophobicContact CB-CB 4.26Å; L114-I148 HydrophobicContact CB-CG1 4.05Å; L114-I148 CarbonylContact O-C 3.53Å; L114-I148 WeakPolarHBondContact O-CA 3.45Å; W132-I148 HydrophobicContact CH2-CD1 3.97Å; W132-I148 HydrophobicContact CZ2-CD1 4.45Å; Q136-I148 HydrophobicContact CB-CD1 3.92Å; Q136-I148 HydrophobicContact CG-CD1 3.8Å; I148-I150 HydrophobicContact CG1-CG1 4.31Å; I148-I150 HydrophobicContact CG2-CG1 4.48Å; I148-T173 HydrophobicContact CG2-CG2 3.77Å; I148-F177 HydrophobicContact CB-CE1 4.01Å; I148-F177 HydrophobicContact CB-CE2 4.19Å; I148-F177 HydrophobicContact CB-CZ 3.7Å; I148-F177 HydrophobicContact CD1-CE2 4.38Å; I148-F177 HydrophobicContact CD1-CZ 4.22Å; I148-F177 HydrophobicContact CG2-CD1 4.29Å; I148-F177 HydrophobicContact CG2-CD2 3.95Å; I148-F177 HydrophobicContact CG2-CE1 3.98Å; I148-F177 HydrophobicContact CG2-CE2 3.62Å; I148-F177 HydrophobicContact CG2-CG 4.27Å; I148-F177 HydrophobicContact CG2-CZ 3.63Å; I148-Q185 PolarHBondContact N-O 2.93Å; I148-Q185 VanDerWaalsContact N-O 3.1Å; I148-V186 HydrophobicContact CG2-CB 4.5Å; I148-V186 HydrophobicContact CG2-CG1 4.04Å; I148-V186 HydrophobicContact CG2-CG2 4.09Å; I148-V186 WeakPolarHBondContact O-CA 3.47Å; I148-S187 PolarHBondContact O-N 3.43Å
149	N	98.9	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.2	166.7	-173.7	85.8	0	0	0	109.1	F71 A92 V113 L114 G116 S187 D189	F71-N149 HydrophobicContact CZ-CB 4.35Å; F71-N149 WeakPolarHBondContact CZ-OD1 3.2Å; A92-N149 HydrophobicContact CB-CB 4.09Å; V113-N149 HydrophobicContact CG2-CB 3.91Å; L114-N149 PolarHBondContact O-N 3.35Å; G116-N149 PolarHBondContact N-O 3.14Å; N149-S187 WeakPolarHBondContact CA-O 3.35Å; N149-S187 WeakPolarHBondContact CA-OG 3.3Å; N149-S187 WeakPolarHBondContact CB-OG 3.37Å; N149-S187 WeakPolarHBondContact OD1-CB 3.36Å; N149-S187 PolarHBondContact OD1-OG 2.81Å; N149-D189 PolarHBondContact ND2-OD1 3.22Å; N149-D189 PolarHBondContact ND2-OD2 3.29Å; N149-D189 PolarHBondContact OD1-OD1 3.31Å
150	I	98.9	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118	-178.2	-55.2	170.9	0	0	0	109.1	G116 W132 I148 V152 L169 V170 T173 V186 S187 F188 D189	G116-I150 CarbonylContact O-C 3.56Å; G116-I150 WeakPolarHBondContact O-CA 3.45Å; W132-I150 HydrophobicContact CH2-CG1 4.49Å; I148-I150 HydrophobicContact CG1-CG1 4.31Å; I148-I150 HydrophobicContact CG2-CG1 4.48Å; I150-V152 HydrophobicContact CG2-CG2 3.93Å; I150-L169 HydrophobicContact CG2-CD2 4.42Å; I150-V170 HydrophobicContact CD1-CG2 4.4Å; I150-T173 HydrophobicContact CD1-CG2 4.09Å; I150-V186 HydrophobicContact CD1-CG1 4.36Å; I150-S187 PolarHBondContact N-O 3.08Å; I150-F188 HydrophobicContact CB-CD2 3.59Å; I150-F188 HydrophobicContact CB-CE2 4.05Å; I150-F188 HydrophobicContact CB-CG 4.44Å; I150-F188 HydrophobicContact CD1-CD2 4.3Å; I150-F188 HydrophobicContact CG2-CD2 3.59Å; I150-F188 HydrophobicContact CG2-CE2 3.49Å; I150-F188 VanDerWaalsContact CG2-CE2 3.49Å; I150-F188 WeakPolarHBondContact O-CA 3.32Å; I150-D189 PolarHBondContact O-N 2.98Å
151	D	98.6	Very high	98	Very high	19 Å²	19	40 Å²	40	10%	0.102	22%	0.216	C	C	.	.			trans	-118.4	86.7	-176.9	173	27.9	0	0	0	109.2	F94 K115 G116 E153 D189	F94-D151 HydrophobicContact CE1-CB 4.29Å; F94-D151 VanDerWaalsContact CE1-OD2 3.25Å; F94-D151 WeakPolarHBondContact CE1-OD2 3.3Å; F94-D151 HydrophobicContact CZ-CB 3.83Å; K115-D151 VanDerWaalsContact CE-OD2 3.27Å; K115-D151 WeakPolarHBondContact CE-OD2 3.31Å; K115-D151 IonicContact NZ-OD2 2.68Å; K115-D151 PolarHBondContact NZ-OD2 2.86Å; G116-D151 PolarHBondContact O-N 3.33Å; D151-E153 WeakPolarHBondContact OD1-CG 3.34Å; D151-D189 WeakPolarHBondContact CB-OD2 3.48Å
152	V	97.7	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	-119.1	114.6	179.6	172.7	0	0	0	0	109.3	V118 I120 I150 L166 F188 Y202	V118-V152 HydrophobicContact CG1-CG2 4.16Å; I120-V152 HydrophobicContact CD1-CG1 3.47Å; I120-V152 VanDerWaalsContact CD1-CG1 3.47Å; I120-V152 HydrophobicContact CG1-CG1 3.47Å; I120-V152 VanDerWaalsContact CG1-CG1 3.47Å; I150-V152 HydrophobicContact CG2-CG2 3.93Å; V152-L166 HydrophobicContact CB-CD1 4.38Å; V152-L166 HydrophobicContact CG1-CD1 4.18Å; V152-F188 HydrophobicContact CB-CZ 4.35Å; V152-Y202 PolarHBondContact O-OH 2.98Å; V152-Y202 VanDerWaalsContact O-OH 3.06Å
153	E	96.9	Very high	98	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.22	20%	0.195	C	C	.	.			trans	-115.9	18.1	-172.9	-50.9	-161.2	111.6	0	0	114.7	D151 R200 M217 R287	D151-E153 WeakPolarHBondContact OD1-CG 3.34Å; E153-R200 IonicContact OE1-NH1 2.78Å; E153-R200 PolarHBondContact OE1-NH1 3.11Å; E153-M217 HydrophobicContact CG-CE 4.33Å; E153-M217 WeakPolarHBondContact OE1-CE 3.42Å; E153-R287 PolarHBondContact O-NH2 3.27Å
154	Q	97.5	Very high	98.1	Very high	44 Å²	44	40.4 Å²	40.4	21%	0.206	22%	0.215	C	C	.	.			trans	-74.2	146.5	-178.1	-69.9	159.5	69.6	0	0	110.9	V118 H119 I120 V156 Y202	V118-Q154 PolarHBondContact O-NE2 2.92Å; H119-Q154 PolarHBondContact ND1-OE1 2.88Å; I120-Q154 HydrophobicContact CD1-CB 3.71Å; I120-Q154 HydrophobicContact CG1-CB 4.12Å; Q154-V156 PolarHBondContact O-N 3.36Å; Q154-Y202 PolarHBondContact N-OH 2.95Å; Q154-Y202 WeakPolarHBondContact O-CE1 3.17Å; Q154-Y202 PolarHBondContact O-OH 3.17Å
155	A	96.9	Very high	98.1	Very high	52 Å²	52	39.3 Å²	39.3	43%	0.43	21%	0.211	S	C	.	.			trans	-62.9	138.1	174.1	0	0	0	0	0	110	K199	A155-K199 CarbonylContact C-O 3.59Å; A155-K199 VanDerWaalsContact CA-O 3.31Å; A155-K199 WeakPolarHBondContact CA-O 3.3Å; A155-K199 HydrophobicContact CB-CB 3.92Å
156	V	97.9	Very high	98.1	Very high	5 Å²	5	39 Å²	39	3%	0.03	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-140.3	133.3	177.9	173.7	0	0	0	0	107.7	I120 Q154 E162 Y163 K199 C201 Y202	I120-V156 HydrophobicContact CD1-CG2 3.28Å; I120-V156 HydrophobicContact CG2-CG2 4.48Å; Q154-V156 PolarHBondContact O-N 3.36Å; V156-E162 HydrophobicContact CG1-CB 4.22Å; V156-E162 HydrophobicContact CG2-CB 4.36Å; V156-Y163 HydrophobicContact CG1-CD2 4.43Å; V156-K199 PolarHBondContact N-O 2.96Å; V156-C201 VanDerWaalsContact O-CB 3.32Å; V156-C201 WeakPolarHBondContact O-CB 3.37Å; V156-C201 PolarHBondContact O-N 2.86Å; V156-C201 VanDerWaalsContact O-N 3.12Å; V156-Y202 HydrophobicContact CB-CD1 3.77Å; V156-Y202 HydrophobicContact CB-CE1 3.58Å; V156-Y202 HydrophobicContact CG1-CD1 4.33Å; V156-Y202 HydrophobicContact CG2-CD1 4.02Å; V156-Y202 HydrophobicContact CG2-CE1 3.47Å; V156-Y202 VanDerWaalsContact CG2-CE1 3.47Å
157	E	97.6	Very high	98.1	Very high	153 Å²	153	39.8 Å²	39.8	72%	0.715	21%	0.214	S	C	*	.			trans	-88.8	140.5	175.5	-64.6	-178.3	176.4	0	0	109.8	G159 S160	E157-G159 PolarHBondContact O-N 3.44Å; E157-S160 WeakPolarHBondContact O-CB 3.39Å; E157-S160 PolarHBondContact O-N 3.26Å; E157-S160 PolarHBondContact O-OG 3.27Å
158	D	96.6	Very high	98.1	Very high	118 Å²	118	41 Å²	41	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.6	178.2	-172.2	10.7	0	0	0	110.9	S160 Y163 C201	D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.47Å; D158-Y163 VanDerWaalsContact OD1-CE2 3.28Å; D158-Y163 WeakPolarHBondContact OD1-CE2 3.44Å; D158-C201 HydrophobicContact CB-CB 4.08Å
159	G	97	Very high	98.1	Very high	36 Å²	36	41 Å²	41	37%	0.371	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	5.3	-178.7	0	0	0	0	0	116.2	E157 Y164	E157-G159 PolarHBondContact O-N 3.44Å; G159-Y164 WeakPolarHBondContact O-CE2 3.26Å
160	S	98.5	Very high	98.1	Very high	19 Å²	19	41 Å²	41	13%	0.133	23%	0.225	C	C	.	.	S	Bend	trans	-72.9	164.2	174.3	91.6	0	0	0	0	112.1	E157 D158 E162 Y163 Y164	E157-S160 WeakPolarHBondContact O-CB 3.39Å; E157-S160 PolarHBondContact O-N 3.26Å; E157-S160 PolarHBondContact O-OG 3.27Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.47Å; S160-E162 WeakPolarHBondContact CB-OE2 3.44Å; S160-E162 PolarHBondContact O-N 2.98Å; S160-E162 WeakPolarHBondContact OG-CB 3.33Å; S160-E162 PolarHBondContact OG-N 3.44Å; S160-E162 PolarHBondContact OG-OE2 3.43Å; S160-Y163 VanDerWaalsContact O-CB 3.27Å; S160-Y163 WeakPolarHBondContact O-CB 3.39Å; S160-Y163 PolarHBondContact O-N 3.32Å; S160-Y163 VanDerWaalsContact O-N 3.1Å; S160-Y163 PolarHBondContact OG-N 3.29Å; S160-Y164 VanDerWaalsContact O-CD2 3.24Å; S160-Y164 WeakPolarHBondContact O-CD2 3.31Å; S160-Y164 PolarHBondContact O-N 3.15Å
161	P	98.6	Very high	98.1	Very high	81 Å²	81	44 Å²	44	53%	0.526	24%	0.24	S	C	.	.	H	α-helix	trans	-54.7	-36.5	172.1	-26.8	36.3	0	0	0	113.3	V124 Y164 A165	V124-P161 HydrophobicContact CG1-CB 3.88Å; V124-P161 HydrophobicContact CG2-CB 4.37Å; P161-Y164 PolarHBondContact O-N 2.88Å; P161-A165 WeakPolarHBondContact O-CB 3.4Å; P161-A165 PolarHBondContact O-N 3.01Å
162	E	98.6	Very high	98.2	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-38.2	175.6	-66.7	79.3	-169.5	0	0	112.8	I120 V124 V156 S160 A165 L166	I120-E162 HydrophobicContact CG2-CB 3.46Å; I120-E162 VanDerWaalsContact CG2-CB 3.46Å; I120-E162 HydrophobicContact CG2-CG 3.73Å; V124-E162 HydrophobicContact CG2-CG 4Å; V156-E162 HydrophobicContact CG1-CB 4.22Å; V156-E162 HydrophobicContact CG2-CB 4.36Å; S160-E162 WeakPolarHBondContact CB-OE2 3.44Å; S160-E162 PolarHBondContact O-N 2.98Å; S160-E162 WeakPolarHBondContact OG-CB 3.33Å; S160-E162 PolarHBondContact OG-N 3.44Å; S160-E162 PolarHBondContact OG-OE2 3.43Å; E162-A165 PolarHBondContact O-N 3.44Å; E162-L166 WeakPolarHBondContact O-CB 3.33Å; E162-L166 PolarHBondContact O-N 3.02Å
163	Y	98.6	Very high	98.2	Very high	32 Å²	32	45.2 Å²	45.2	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-50.9	175.6	177.6	-87.4	0	0	0	111.7	V156 D158 S160 T167 C201 D203	V156-Y163 HydrophobicContact CG1-CD2 4.43Å; D158-Y163 VanDerWaalsContact OD1-CE2 3.28Å; D158-Y163 WeakPolarHBondContact OD1-CE2 3.44Å; S160-Y163 VanDerWaalsContact O-CB 3.27Å; S160-Y163 WeakPolarHBondContact O-CB 3.39Å; S160-Y163 PolarHBondContact O-N 3.32Å; S160-Y163 VanDerWaalsContact O-N 3.1Å; S160-Y163 PolarHBondContact OG-N 3.29Å; Y163-T167 PolarHBondContact O-N 3Å; Y163-T167 PolarHBondContact O-OG1 3.27Å; Y163-C201 WeakPolarHBondContact CD2-O 3.3Å; Y163-C201 WeakPolarHBondContact CE2-O 3.36Å; Y163-D203 HydrophobicContact CE1-CB 3.79Å; Y163-D203 HydrophobicContact CE2-CB 3.98Å; Y163-D203 VanDerWaalsContact CE2-N 3.3Å; Y163-D203 VanDerWaalsContact CZ-CB 3.41Å; Y163-D203 WeakPolarHBondContact OH-CA 3.36Å; Y163-D203 VanDerWaalsContact OH-CB 3.25Å; Y163-D203 WeakPolarHBondContact OH-CB 3.29Å
164	Y	98.6	Very high	98.3	Very high	147 Å²	147	43.3 Å²	43.3	58%	0.576	24%	0.237	S	C	*	.	H	α-helix	trans	-69.9	-37.3	178	-61.9	-66.4	0	0	0	111.9	G159 S160 P161 T167 A168	G159-Y164 WeakPolarHBondContact O-CE2 3.26Å; S160-Y164 VanDerWaalsContact O-CD2 3.24Å; S160-Y164 WeakPolarHBondContact O-CD2 3.31Å; S160-Y164 PolarHBondContact O-N 3.15Å; P161-Y164 PolarHBondContact O-N 2.88Å; Y164-T167 PolarHBondContact O-N 2.94Å; Y164-A168 WeakPolarHBondContact O-CB 3.36Å; Y164-A168 PolarHBondContact O-N 2.89Å
165	A	98.7	Very high	98.4	Very high	6 Å²	6	46 Å²	46	5%	0.05	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-39.2	179.2	0	0	0	0	0	112.9	I123 V124 P161 E162 A168 L169	I123-A165 HydrophobicContact CG1-CB 4.38Å; V124-A165 HydrophobicContact CB-CB 4.39Å; V124-A165 HydrophobicContact CG2-CB 3.99Å; P161-A165 WeakPolarHBondContact O-CB 3.4Å; P161-A165 PolarHBondContact O-N 3.01Å; E162-A165 PolarHBondContact O-N 3.44Å; A165-A168 PolarHBondContact O-N 3.13Å; A165-L169 WeakPolarHBondContact O-CB 3.35Å; A165-L169 PolarHBondContact O-N 3.45Å
166	L	98.8	Very high	98.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-43.9	175.5	-176.4	61.1	0	0	0	110.8	I120 V152 E162 L169 V170 F188 Y202 I207	I120-L166 HydrophobicContact CD1-CD2 4.33Å; V152-L166 HydrophobicContact CB-CD1 4.38Å; V152-L166 HydrophobicContact CG1-CD1 4.18Å; E162-L166 WeakPolarHBondContact O-CB 3.33Å; E162-L166 PolarHBondContact O-N 3.02Å; L166-L169 HydrophobicContact CD1-CD2 4.35Å; L166-L169 WeakPolarHBondContact O-CB 3.44Å; L166-L169 PolarHBondContact O-N 2.84Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 2.91Å; L166-V170 VanDerWaalsContact O-N 3.15Å; L166-F188 HydrophobicContact CD1-CE2 3.9Å; L166-F188 HydrophobicContact CD1-CZ 3.91Å; L166-F188 HydrophobicContact CD2-CZ 4.15Å; L166-F188 HydrophobicContact CG-CE2 4.48Å; L166-F188 HydrophobicContact CG-CZ 4.25Å; L166-Y202 HydrophobicContact CD2-CD1 3.73Å; L166-Y202 HydrophobicContact CD2-CD2 3.74Å; L166-Y202 HydrophobicContact CD2-CE1 3.85Å; L166-Y202 HydrophobicContact CD2-CE2 3.82Å; L166-Y202 HydrophobicContact CD2-CG 3.7Å; L166-I207 HydrophobicContact CD2-CD1 4.37Å; L166-I207 HydrophobicContact CG-CD1 4.44Å
167	T	98.4	Very high	98.5	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-45.2	176.6	-55.3	0	0	0	0	111.7	Y163 Y164 L169 V170 N171 D203 T206	Y163-T167 PolarHBondContact O-N 3Å; Y163-T167 PolarHBondContact O-OG1 3.27Å; Y164-T167 PolarHBondContact O-N 2.94Å; T167-L169 VanDerWaalsContact C-N 3.33Å; T167-L169 PolarHBondContact O-N 3.28Å; T167-V170 PolarHBondContact O-N 3.09Å; T167-N171 PolarHBondContact O-N 2.6Å; T167-N171 VanDerWaalsContact O-N 3.16Å; T167-D203 WeakPolarHBondContact OG1-CB 3.43Å; T167-T206 HydrophobicContact CG2-CG2 3.21Å
168	A	98.8	Very high	98.5	Very high	27 Å²	27	40 Å²	40	22%	0.223	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-39.4	175.7	0	0	0	0	0	112.2	Y164 A165 V170 N171 E172	Y164-A168 WeakPolarHBondContact O-CB 3.36Å; Y164-A168 PolarHBondContact O-N 2.89Å; A165-A168 PolarHBondContact O-N 3.13Å; A168-V170 PolarHBondContact O-N 3.31Å; A168-N171 PolarHBondContact O-N 2.92Å; A168-E172 VanDerWaalsContact O-CB 3.27Å; A168-E172 WeakPolarHBondContact O-CB 3.33Å; A168-E172 WeakPolarHBondContact O-CG 3.36Å; A168-E172 PolarHBondContact O-N 3.31Å
169	L	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-49.9	175.4	-179.7	84	0	0	0	111.1	V118 I123 R129 W132 I133 I150 A165 L166 T167 N171 T173	V118-L169 HydrophobicContact CG1-CD1 4.48Å; V118-L169 HydrophobicContact CG1-CD2 3.67Å; I123-L169 HydrophobicContact CD1-CB 3.97Å; I123-L169 HydrophobicContact CD1-CD1 4.29Å; I123-L169 HydrophobicContact CD1-CD2 3.83Å; I123-L169 HydrophobicContact CD1-CG 4.25Å; I123-L169 HydrophobicContact CG2-CD1 4.14Å; R129-L169 HydrophobicContact CG-CB 4.33Å; R129-L169 HydrophobicContact CG-CD1 3.58Å; W132-L169 HydrophobicContact CD2-CD1 4.44Å; W132-L169 HydrophobicContact CE3-CD1 3.56Å; W132-L169 HydrophobicContact CZ3-CD1 3.64Å; W132-L169 HydrophobicContact CZ3-CD2 4.31Å; W132-L169 HydrophobicContact CZ3-CG 4.15Å; I133-L169 HydrophobicContact CD1-CD1 4.47Å; I133-L169 HydrophobicContact CG1-CD1 4.3Å; I150-L169 HydrophobicContact CG2-CD2 4.42Å; A165-L169 WeakPolarHBondContact O-CB 3.35Å; A165-L169 PolarHBondContact O-N 3.45Å; L166-L169 HydrophobicContact CD1-CD2 4.35Å; L166-L169 WeakPolarHBondContact O-CB 3.44Å; L166-L169 PolarHBondContact O-N 2.84Å; T167-L169 VanDerWaalsContact C-N 3.33Å; T167-L169 PolarHBondContact O-N 3.28Å; L169-N171 PolarHBondContact O-N 2.8Å; L169-T173 WeakPolarHBondContact O-CB 3.19Å; L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 3.27Å
170	V	98.9	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-44.3	-177.7	-178	0	0	0	0	110.9	I150 L166 T167 A168 T174 F188 I207 C211	I150-V170 HydrophobicContact CD1-CG2 4.4Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 2.91Å; L166-V170 VanDerWaalsContact O-N 3.15Å; T167-V170 PolarHBondContact O-N 3.09Å; A168-V170 PolarHBondContact O-N 3.31Å; V170-T174 WeakPolarHBondContact O-CB 3.39Å; V170-T174 PolarHBondContact O-N 3.34Å; V170-T174 PolarHBondContact O-OG1 2.92Å; V170-F188 HydrophobicContact CG2-CD2 3.33Å; V170-F188 HydrophobicContact CG2-CE2 3.57Å; V170-F188 HydrophobicContact CG2-CG 4.21Å; V170-I207 HydrophobicContact CG1-CG2 4.34Å; V170-I207 HydrophobicContact CG2-CG1 4.28Å; V170-I207 HydrophobicContact CG2-CG2 4.38Å; V170-C211 HydrophobicContact CG1-CB 3.69Å
171	N	98.9	Very high	98.6	Very high	62 Å²	62	43.9 Å²	43.9	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-54.2	177.8	-172.5	57.7	0	0	0	112.4	T167 A168 L169 T173 T174 E175	T167-N171 PolarHBondContact O-N 2.6Å; T167-N171 VanDerWaalsContact O-N 3.16Å; A168-N171 PolarHBondContact O-N 2.92Å; L169-N171 PolarHBondContact O-N 2.8Å; N171-T173 VanDerWaalsContact C-N 3.29Å; N171-T173 PolarHBondContact O-N 3.06Å; N171-T174 PolarHBondContact O-N 2.91Å; N171-T174 VanDerWaalsContact O-N 3.13Å; N171-E175 PolarHBondContact ND2-OE1 3.28Å; N171-E175 WeakPolarHBondContact O-CG 3.48Å; N171-E175 PolarHBondContact O-N 2.93Å
172	E	98.9	Very high	98.4	Very high	45 Å²	45	44 Å²	44	21%	0.21	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-35.6	-178.6	-67.8	168.8	-165	0	0	111.8	R129 I133 A168 A176	R129-E172 IonicContact CZ-OE1 2.76Å; R129-E172 IonicContact CZ-OE2 3.02Å; R129-E172 VanDerWaalsContact NE-CD 3.32Å; R129-E172 IonicContact NE-OE1 2.91Å; R129-E172 PolarHBondContact NE-OE1 2.83Å; R129-E172 IonicContact NE-OE2 2.74Å; R129-E172 PolarHBondContact NE-OE2 2.83Å; R129-E172 IonicContact NH2-OE1 3.38Å; R129-E172 PolarHBondContact NH2-OE1 3.26Å; R129-E172 IonicContact NH2-OE2 3.54Å; I133-E172 HydrophobicContact CD1-CB 3.47Å; I133-E172 VanDerWaalsContact CD1-CB 3.47Å; A168-E172 VanDerWaalsContact O-CB 3.27Å; A168-E172 WeakPolarHBondContact O-CB 3.33Å; A168-E172 WeakPolarHBondContact O-CG 3.36Å; A168-E172 PolarHBondContact O-N 3.31Å; E172-A176 VanDerWaalsContact O-CB 3.24Å; E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 3.17Å
173	T	98.9	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-47.4	174.1	-58	0	0	0	0	110.3	I148 I150 L169 N171 A176 F177 V186	I148-T173 HydrophobicContact CG2-CG2 3.77Å; I150-T173 HydrophobicContact CD1-CG2 4.09Å; L169-T173 WeakPolarHBondContact O-CB 3.19Å; L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 3.27Å; N171-T173 VanDerWaalsContact C-N 3.29Å; N171-T173 PolarHBondContact O-N 3.06Å; T173-A176 PolarHBondContact O-N 2.84Å; T173-F177 HydrophobicContact CG2-CD2 3.58Å; T173-F177 HydrophobicContact CG2-CE2 3.74Å; T173-F177 WeakPolarHBondContact O-CB 3.39Å; T173-F177 WeakPolarHBondContact O-CD2 3.15Å; T173-F177 PolarHBondContact O-N 2.74Å; T173-V186 HydrophobicContact CG2-CG1 4.45Å
174	T	98.9	Very high	98.1	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-48.1	-179.1	-53.5	0	0	0	0	111.3	V170 N171 A176 F177 H178 V186 S210	V170-T174 WeakPolarHBondContact O-CB 3.39Å; V170-T174 PolarHBondContact O-N 3.34Å; V170-T174 PolarHBondContact O-OG1 2.92Å; N171-T174 PolarHBondContact O-N 2.91Å; N171-T174 VanDerWaalsContact O-N 3.13Å; T174-A176 VanDerWaalsContact C-N 3.34Å; T174-A176 PolarHBondContact O-N 2.76Å; T174-F177 PolarHBondContact O-N 2.95Å; T174-H178 WeakPolarHBondContact CG2-CE1 3.42Å; T174-H178 WeakPolarHBondContact O-CB 3.37Å; T174-H178 PolarHBondContact O-N 3.33Å; T174-V186 HydrophobicContact CG2-CB 4.19Å; T174-V186 HydrophobicContact CG2-CG2 4.26Å; T174-V186 WeakPolarHBondContact OG1-CG1 3.28Å; T174-S210 WeakPolarHBondContact CB-O 3.24Å; T174-S210 WeakPolarHBondContact CG2-O 3.06Å; T174-S210 PolarHBondContact OG1-O 3.31Å
175	E	98.8	Very high	98.1	Very high	102 Å²	102	35.4 Å²	35.4	48%	0.477	19%	0.188	S	C	.	.	H	α-helix	trans	-58.5	-43	175.9	-71.5	177.9	-172.1	0	0	112.6	N171 R179	N171-E175 PolarHBondContact ND2-OE1 3.28Å; N171-E175 WeakPolarHBondContact O-CG 3.48Å; N171-E175 PolarHBondContact O-N 2.93Å; E175-R179 WeakPolarHBondContact O-CB 3.35Å; E175-R179 PolarHBondContact O-N 2.87Å; E175-R179 VanDerWaalsContact O-N 3.12Å
176	A	98.8	Very high	98.1	Very high	8 Å²	8	35.1 Å²	35.1	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-44.6	-179.9	0	0	0	0	0	112.2	I133 V137 E172 T173 T174 R179 E180	I133-A176 HydrophobicContact CG2-CB 3.56Å; V137-A176 HydrophobicContact CG2-CB 4.14Å; E172-A176 VanDerWaalsContact O-CB 3.24Å; E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 3.17Å; T173-A176 PolarHBondContact O-N 2.84Å; T174-A176 VanDerWaalsContact C-N 3.34Å; T174-A176 PolarHBondContact O-N 2.76Å; A176-R179 PolarHBondContact O-N 2.87Å; A176-E180 VanDerWaalsContact O-CB 3.29Å; A176-E180 WeakPolarHBondContact O-CB 3.47Å; A176-E180 WeakPolarHBondContact O-CG 3.39Å; A176-E180 PolarHBondContact O-N 2.95Å
177	F	98.7	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-49.2	178.1	-93.2	-98	0	0	0	111.5	Q136 V137 A140 I148 T173 T174 R179 E180 I181 S184 V186	Q136-F177 HydrophobicContact CB-CE2 4Å; Q136-F177 HydrophobicContact CB-CZ 4.03Å; V137-F177 HydrophobicContact CG2-CD2 3.57Å; V137-F177 HydrophobicContact CG2-CE2 3.59Å; V137-F177 HydrophobicContact CG2-CG 4.17Å; V137-F177 HydrophobicContact CG2-CZ 4.2Å; A140-F177 HydrophobicContact CB-CE1 3.67Å; A140-F177 HydrophobicContact CB-CZ 4.17Å; I148-F177 HydrophobicContact CB-CE1 4.01Å; I148-F177 HydrophobicContact CB-CE2 4.19Å; I148-F177 HydrophobicContact CB-CZ 3.7Å; I148-F177 HydrophobicContact CD1-CE2 4.38Å; I148-F177 HydrophobicContact CD1-CZ 4.22Å; I148-F177 HydrophobicContact CG2-CD1 4.29Å; I148-F177 HydrophobicContact CG2-CD2 3.95Å; I148-F177 HydrophobicContact CG2-CE1 3.98Å; I148-F177 HydrophobicContact CG2-CE2 3.62Å; I148-F177 HydrophobicContact CG2-CG 4.27Å; I148-F177 HydrophobicContact CG2-CZ 3.63Å; T173-F177 HydrophobicContact CG2-CD2 3.58Å; T173-F177 HydrophobicContact CG2-CE2 3.74Å; T173-F177 WeakPolarHBondContact O-CB 3.39Å; T173-F177 WeakPolarHBondContact O-CD2 3.15Å; T173-F177 PolarHBondContact O-N 2.74Å; T174-F177 PolarHBondContact O-N 2.95Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.13Å; F177-E180 PolarHBondContact O-N 2.99Å; F177-I181 HydrophobicContact CD1-CD1 4.06Å; F177-I181 HydrophobicContact CE1-CD1 4.2Å; F177-I181 CarbonylContact O-C 3.43Å; F177-I181 WeakPolarHBondContact O-CA 3.39Å; F177-I181 PolarHBondContact O-N 2.78Å; F177-S184 PolarHBondContact O-OG 2.97Å; F177-V186 HydrophobicContact CB-CG2 3.72Å; F177-V186 HydrophobicContact CG-CG2 4.11Å
178	H	98.1	Very high	98.1	Very high	74 Å²	74	34.3 Å²	34.3	34%	0.343	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-34.8	178.9	-69.5	163.3	0	0	0	112.9	T174 S184 D212	T174-H178 WeakPolarHBondContact CG2-CE1 3.42Å; T174-H178 WeakPolarHBondContact O-CB 3.37Å; T174-H178 PolarHBondContact O-N 3.33Å; H178-S184 PolarHBondContact CD2-O 2.98Å; H178-S184 VanDerWaalsContact CD2-O 3.27Å; H178-S184 PolarHBondContact CD2-OG 3.32Å; H178-S184 PolarHBondContact N-OG 3.35Å; H178-S184 PolarHBondContact NE2-O 3.23Å; H178-D212 IonicContact CE1-OD1 3.44Å; H178-D212 PolarHBondContact CE1-OD1 3.02Å; H178-D212 VanDerWaalsContact CE1-OD1 3.27Å; H178-D212 IonicContact CE1-OD2 3.23Å; H178-D212 IonicContact NE2-OD1 2.76Å; H178-D212 PolarHBondContact NE2-OD1 3.38Å; H178-D212 IonicContact NE2-OD2 2.99Å; H178-D212 PolarHBondContact NE2-OD2 3.34Å
179	R	98.4	Very high	98.1	Very high	162 Å²	162	33.1 Å²	33.1	61%	0.611	17%	0.171	S	C	*	.	H	α-helix	trans	-69.9	-45.7	176.3	-178.9	176.7	63.1	-115.2	-0.1	112.5	E175 A176 F177	E175-R179 WeakPolarHBondContact O-CB 3.35Å; E175-R179 PolarHBondContact O-N 2.87Å; E175-R179 VanDerWaalsContact O-N 3.12Å; A176-R179 PolarHBondContact O-N 2.87Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.13Å
180	E	98.2	Very high	98.1	Very high	83 Å²	83	33.2 Å²	33.2	39%	0.388	17%	0.171	S	C	.	.	H	α-helix	trans	-89.8	-22.3	-170.8	-67.8	-66.3	145.6	0	0	113.9	V137 K141 A176 F177	V137-E180 HydrophobicContact CG1-CB 3.55Å; V137-E180 HydrophobicContact CG1-CG 3.89Å; K141-E180 HydrophobicContact CD-CB 4.5Å; K141-E180 IonicContact NZ-OE2 2.71Å; K141-E180 PolarHBondContact NZ-OE2 3.21Å; A176-E180 VanDerWaalsContact O-CB 3.29Å; A176-E180 WeakPolarHBondContact O-CB 3.47Å; A176-E180 WeakPolarHBondContact O-CG 3.39Å; A176-E180 PolarHBondContact O-N 2.95Å; F177-E180 PolarHBondContact O-N 2.99Å
181	I	97.2	Very high	98.1	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	17%	0.171	C	C	.	.	S	Bend	trans	-135.1	79.8	-179.5	-49.3	178.6	0	0	0	107.7	P61 A140 K141 F177 G183 S184	P61-I181 HydrophobicContact CB-CG2 4.3Å; P61-I181 HydrophobicContact CG-CG2 3.75Å; A140-I181 HydrophobicContact CB-CD1 3.58Å; K141-I181 HydrophobicContact CD-CG1 4.34Å; K141-I181 HydrophobicContact CG-CD1 3.85Å; K141-I181 HydrophobicContact CG-CG1 3.82Å; F177-I181 HydrophobicContact CD1-CD1 4.06Å; F177-I181 HydrophobicContact CE1-CD1 4.2Å; F177-I181 CarbonylContact O-C 3.43Å; F177-I181 WeakPolarHBondContact O-CA 3.39Å; F177-I181 PolarHBondContact O-N 2.78Å; I181-G183 PolarHBondContact O-N 2.62Å; I181-S184 WeakPolarHBondContact O-CB 3.42Å; I181-S184 PolarHBondContact O-N 3.46Å; I181-S184 PolarHBondContact O-OG 2.8Å
182	P	95	Very high	98.1	Very high	85 Å²	85	31.6 Å²	31.6	55%	0.552	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	126.1	-178.2	-28	36.2	0	0	0	112.5
183	G	93.2	Very high	98	Very high	40 Å²	40	29.8 Å²	29.8	41%	0.412	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	9.5	-174.7	0	0	0	0	0	114.6	R111 I181	R111-G183 PolarHBondContact NH1-O 2.79Å; I181-G183 PolarHBondContact O-N 2.62Å
184	S	97.6	Very high	98	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	16%	0.159	C	C	.	.			trans	-65.3	154.2	175	63.9	0	0	0	0	112.9	D146 F177 H178 I181	D146-S184 CarbonylContact O-C 3.37Å; D146-S184 WeakPolarHBondContact O-CA 3.37Å; D146-S184 VanDerWaalsContact O-CB 3.26Å; D146-S184 WeakPolarHBondContact O-CB 3.45Å; F177-S184 PolarHBondContact O-OG 2.97Å; H178-S184 PolarHBondContact CD2-O 2.98Å; H178-S184 VanDerWaalsContact CD2-O 3.27Å; H178-S184 PolarHBondContact CD2-OG 3.32Å; H178-S184 PolarHBondContact N-OG 3.35Å; H178-S184 PolarHBondContact NE2-O 3.23Å; I181-S184 WeakPolarHBondContact O-CB 3.42Å; I181-S184 PolarHBondContact O-N 3.46Å; I181-S184 PolarHBondContact O-OG 2.8Å
185	Q	97.9	Very high	97.9	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.9	175.3	-177.9	173.9	90.1	0	0	110.2	T90 V113 D146 G147 I148 D212 L213	T90-Q185 PolarHBondContact OG1-OE1 2.89Å; V113-Q185 HydrophobicContact CG1-CB 4.41Å; D146-Q185 PolarHBondContact O-N 3.43Å; G147-Q185 VanDerWaalsContact CA-O 3.28Å; G147-Q185 WeakPolarHBondContact CA-O 3.48Å; I148-Q185 PolarHBondContact N-O 2.93Å; I148-Q185 VanDerWaalsContact N-O 3.1Å; Q185-D212 WeakPolarHBondContact CA-OD2 3.24Å; Q185-D212 HydrophobicContact CG-CB 4.4Å; Q185-L213 VanDerWaalsContact CD-CD1 3.46Å; Q185-L213 HydrophobicContact CG-CD1 4Å
186	V	98.7	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.2	172.1	-177.8	0	0	0	0	109.4	I148 I150 T173 T174 F177 C211 D212 L213	I148-V186 HydrophobicContact CG2-CB 4.5Å; I148-V186 HydrophobicContact CG2-CG1 4.04Å; I148-V186 HydrophobicContact CG2-CG2 4.09Å; I148-V186 WeakPolarHBondContact O-CA 3.47Å; I150-V186 HydrophobicContact CD1-CG1 4.36Å; T173-V186 HydrophobicContact CG2-CG1 4.45Å; T174-V186 HydrophobicContact CG2-CB 4.19Å; T174-V186 HydrophobicContact CG2-CG2 4.26Å; T174-V186 WeakPolarHBondContact OG1-CG1 3.28Å; F177-V186 HydrophobicContact CB-CG2 3.72Å; F177-V186 HydrophobicContact CG-CG2 4.11Å; V186-C211 HydrophobicContact CG1-CB 4.24Å; V186-C211 WeakPolarHBondContact O-CB 3.44Å; V186-D212 PolarHBondContact N-OD2 2.79Å; V186-D212 WeakPolarHBondContact O-CA 3.15Å; V186-D212 WeakPolarHBondContact O-CB 3.27Å; V186-D212 PolarHBondContact O-N 3.46Å; V186-L213 PolarHBondContact O-N 3.15Å
187	S	98.8	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.6	176.4	53.8	0	0	0	0	111.7	I148 N149 I150 L213	I148-S187 PolarHBondContact O-N 3.43Å; N149-S187 WeakPolarHBondContact CA-O 3.35Å; N149-S187 WeakPolarHBondContact CA-OG 3.3Å; N149-S187 WeakPolarHBondContact CB-OG 3.37Å; N149-S187 WeakPolarHBondContact OD1-CB 3.36Å; N149-S187 PolarHBondContact OD1-OG 2.81Å; I150-S187 PolarHBondContact N-O 3.08Å; S187-L213 WeakPolarHBondContact CA-O 3.21Å
188	F	98.9	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.7	177.9	-168	-81.8	0	0	0	110.6	I150 V152 L166 V170 V190 Y202 I207 L213 V214 F215	I150-F188 HydrophobicContact CB-CD2 3.59Å; I150-F188 HydrophobicContact CB-CE2 4.05Å; I150-F188 HydrophobicContact CB-CG 4.44Å; I150-F188 HydrophobicContact CD1-CD2 4.3Å; I150-F188 HydrophobicContact CG2-CD2 3.59Å; I150-F188 HydrophobicContact CG2-CE2 3.49Å; I150-F188 VanDerWaalsContact CG2-CE2 3.49Å; I150-F188 WeakPolarHBondContact O-CA 3.32Å; V152-F188 HydrophobicContact CB-CZ 4.35Å; L166-F188 HydrophobicContact CD1-CE2 3.9Å; L166-F188 HydrophobicContact CD1-CZ 3.91Å; L166-F188 HydrophobicContact CD2-CZ 4.15Å; L166-F188 HydrophobicContact CG-CE2 4.48Å; L166-F188 HydrophobicContact CG-CZ 4.25Å; V170-F188 HydrophobicContact CG2-CD2 3.33Å; V170-F188 HydrophobicContact CG2-CE2 3.57Å; V170-F188 HydrophobicContact CG2-CG 4.21Å; F188-V190 HydrophobicContact CD1-CG1 3.71Å; F188-V190 HydrophobicContact CE1-CG1 4.1Å; F188-Y202 HydrophobicContact CE1-CD2 4.19Å; F188-Y202 HydrophobicContact CE1-CE2 4.26Å; F188-Y202 HydrophobicContact CZ-CD2 4.49Å; F188-Y202 HydrophobicContact CZ-CE2 4.37Å; F188-I207 HydrophobicContact CB-CG2 4.03Å; F188-I207 HydrophobicContact CD1-CG2 3.86Å; F188-I207 HydrophobicContact CD2-CG2 4.46Å; F188-I207 HydrophobicContact CE1-CD1 4.35Å; F188-I207 HydrophobicContact CE1-CG2 4.49Å; F188-I207 HydrophobicContact CG-CG2 3.85Å; F188-L213 PolarHBondContact N-O 2.91Å; F188-V214 WeakPolarHBondContact O-CA 3.23Å; F188-F215 PolarHBondContact O-N 3.37Å
189	D	98.9	Very high	97.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125	177.5	-62.1	-17	0	0	0	109.9	F73 N149 I150 D151 F215 M217	F73-D189 WeakPolarHBondContact CZ-OD1 3.4Å; N149-D189 PolarHBondContact ND2-OD1 3.22Å; N149-D189 PolarHBondContact ND2-OD2 3.29Å; N149-D189 PolarHBondContact OD1-OD1 3.31Å; I150-D189 PolarHBondContact O-N 2.98Å; D151-D189 WeakPolarHBondContact CB-OD2 3.48Å; D189-F215 CarbonylContact C-O 3.46Å; D189-F215 WeakPolarHBondContact CA-O 3.49Å; D189-F215 WeakPolarHBondContact OD1-CB 3.46Å; D189-M217 HydrophobicContact CB-CE 3.93Å; D189-M217 HydrophobicContact CB-CG 4.24Å; D189-M217 HydrophobicContact CB-SD 3.97Å
190	V	98.7	Very high	97.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.4	177.3	-61.6	0	0	0	0	110.7	F188 Y204 V214 F215 V216 M217 Y247	F188-V190 HydrophobicContact CD1-CG1 3.71Å; F188-V190 HydrophobicContact CE1-CG1 4.1Å; V190-Y204 HydrophobicContact CB-CD1 4.08Å; V190-Y204 HydrophobicContact CB-CE1 3.83Å; V190-Y204 HydrophobicContact CG1-CD1 3.81Å; V190-Y204 HydrophobicContact CG1-CE1 3.94Å; V190-V214 HydrophobicContact CB-CG1 4.15Å; V190-V214 HydrophobicContact CG1-CG1 3.65Å; V190-V214 HydrophobicContact CG2-CG1 3.36Å; V190-F215 PolarHBondContact N-O 3.22Å; V190-V216 HydrophobicContact CG2-CB 4.03Å; V190-V216 HydrophobicContact CG2-CG1 4.35Å; V190-V216 HydrophobicContact CG2-CG2 3.6Å; V190-M217 WeakPolarHBondContact O-CB 3.23Å; V190-M217 WeakPolarHBondContact O-CE 3.43Å; V190-M217 PolarHBondContact O-N 3.2Å; V190-Y247 HydrophobicContact CG2-CE1 4.13Å; V190-Y247 HydrophobicContact CG2-CE2 4.46Å; V190-Y247 WeakPolarHBondContact CG2-OH 3.26Å
191	A	98.3	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.			trans	-55.8	158.7	174.8	0	0	0	0	0	111.9	S193 I197 R200 Y247	A191-S193 PolarHBondContact O-N 3.26Å; A191-S193 VanDerWaalsContact O-N 3.1Å; A191-I197 HydrophobicContact CB-CG2 3.38Å; A191-R200 VanDerWaalsContact CB-CZ 3.47Å; A191-Y247 PolarHBondContact O-OH 2.89Å
192	W	98.4	Very high	97.4	Very high	29 Å²	29	27.4 Å²	27.4	11%	0.11	15%	0.151	C	C	.	.	S	Bend	trans	-59.8	-25.1	179.9	66.7	-97.9	0	0	0	113.6	I197 M217 E221 Q239 A243	W192-I197 HydrophobicContact CH2-CD1 4.47Å; W192-I197 HydrophobicContact CZ2-CD1 3.58Å; W192-I197 HydrophobicContact CZ2-CG1 3.76Å; W192-M217 VanDerWaalsContact CB-O 3.26Å; W192-M217 WeakPolarHBondContact CB-O 3.36Å; W192-E221 HydrophobicContact CB-CG 4.02Å; W192-E221 HydrophobicContact CD2-CB 4.22Å; W192-E221 HydrophobicContact CD2-CG 3.9Å; W192-E221 HydrophobicContact CE3-CG 4.24Å; W192-E221 HydrophobicContact CG-CB 4.41Å; W192-E221 HydrophobicContact CG-CG 3.8Å; W192-Q239 HydrophobicContact CE3-CG 4.5Å; W192-Q239 HydrophobicContact CH2-CG 4.11Å; W192-Q239 HydrophobicContact CZ3-CG 3.75Å; W192-A243 HydrophobicContact CE3-CB 3.91Å; W192-A243 HydrophobicContact CZ3-CB 4.19Å; W192-A243 WeakPolarHBondContact O-CB 3.47Å
193	S	98.3	Very high	97.6	Very high	7 Å²	7	25 Å²	25	5%	0.049	13%	0.133	C	C	.	.			trans	-127.5	137.5	-179.8	166.5	0	0	0	0	112.4	A191 K195 I197	A191-S193 PolarHBondContact O-N 3.26Å; A191-S193 VanDerWaalsContact O-N 3.1Å; S193-K195 PolarHBondContact O-N 3.11Å; S193-K195 PolarHBondContact OG-N 3.32Å; S193-I197 VanDerWaalsContact O-CG2 3.26Å; S193-I197 WeakPolarHBondContact O-CG2 3.34Å
194	P	98	Very high	97.8	Very high	19 Å²	19	23.6 Å²	23.6	12%	0.123	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.7	176.4	30.7	-31.5	0	0	0	113.4	C196 Y204 D246 Y247 L250	P194-C196 PolarHBondContact O-N 3.43Å; P194-Y204 VanDerWaalsContact CA-CE2 3.49Å; P194-Y204 HydrophobicContact CB-CD2 3.91Å; P194-Y204 HydrophobicContact CB-CE2 4.02Å; P194-Y204 HydrophobicContact CB-CG 4.47Å; P194-Y204 VanDerWaalsContact O-CE2 3.29Å; P194-Y204 WeakPolarHBondContact O-CE2 3.37Å; P194-D246 HydrophobicContact CG-CB 3.79Å; P194-Y247 HydrophobicContact CB-CD1 3.9Å; P194-Y247 HydrophobicContact CB-CD2 4.49Å; P194-Y247 HydrophobicContact CB-CE1 3.64Å; P194-Y247 HydrophobicContact CB-CE2 4.25Å; P194-Y247 HydrophobicContact CB-CG 4.3Å; P194-Y247 HydrophobicContact CG-CD1 4.16Å; P194-Y247 HydrophobicContact CG-CD2 4.09Å; P194-Y247 HydrophobicContact CG-CE1 4.25Å; P194-Y247 HydrophobicContact CG-CE2 4.17Å; P194-Y247 HydrophobicContact CG-CG 4.06Å; P194-L250 HydrophobicContact CB-CD1 3.75Å; P194-L250 HydrophobicContact CG-CD1 4.39Å
195	K	96.9	Very high	97.9	Very high	130 Å²	130	25.2 Å²	25.2	57%	0.565	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	43.1	-173.1	-67.4	176.4	172.3	158.7	0	112.7	S193 I197 D246	S193-K195 PolarHBondContact O-N 3.11Å; S193-K195 PolarHBondContact OG-N 3.32Å; K195-I197 PolarHBondContact O-N 3.15Å; K195-D246 WeakPolarHBondContact CE-OD2 3.42Å; K195-D246 IonicContact NZ-OD1 2.85Å; K195-D246 PolarHBondContact NZ-OD1 3.06Å; K195-D246 IonicContact NZ-OD2 2.68Å; K195-D246 PolarHBondContact NZ-OD2 3.06Å
196	C	96.2	Very high	97.9	Very high	37 Å²	37	27 Å²	27	25%	0.25	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	39.2	-174.7	-170.9	0	0	0	0	113.1	P194 D198 K199 C201	P194-C196 PolarHBondContact O-N 3.43Å; C196-D198 PolarHBondContact O-N 2.96Å; C196-K199 PolarHBondContact O-N 3.41Å; C196-K199 VanDerWaalsContact O-N 3.09Å; C196-C201 HydrophobicContact CB-CB 3.86Å; C196-C201 WeakPolarHBondContact CB-SG 3.38Å; C196-C201 WeakPolarHBondContact SG-CA 3.27Å; C196-C201 WeakPolarHBondContact SG-CB 3.32Å; C196-C201 PolarHBondContact SG-N 3.31Å; C196-C201 CovalentContact SG-SG 2.01Å; C196-C201 PolarHBondContact SG-SG 3.23Å
197	I	96.9	Very high	97.9	Very high	22 Å²	22	27 Å²	27	11%	0.113	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.9	141.6	174.4	-166.4	72.8	0	0	0	109.3	A191 W192 S193 K195 K199 R200 Q224	A191-I197 HydrophobicContact CB-CG2 3.38Å; W192-I197 HydrophobicContact CH2-CD1 4.47Å; W192-I197 HydrophobicContact CZ2-CD1 3.58Å; W192-I197 HydrophobicContact CZ2-CG1 3.76Å; S193-I197 VanDerWaalsContact O-CG2 3.26Å; S193-I197 WeakPolarHBondContact O-CG2 3.34Å; K195-I197 PolarHBondContact O-N 3.15Å; I197-K199 PolarHBondContact O-N 3.32Å; I197-K199 VanDerWaalsContact O-N 3.15Å; I197-R200 WeakPolarHBondContact O-CB 3.41Å; I197-R200 PolarHBondContact O-N 3.27Å; I197-Q224 HydrophobicContact CD1-CB 4.3Å; I197-Q224 HydrophobicContact CD1-CG 4.38Å
198	D	95.6	Very high	97.9	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	57.1	26.9	-175.2	-45.4	-42.2	0	0	0	113.2	C196 R200 S223 F286 R287	C196-D198 PolarHBondContact O-N 2.96Å; D198-R200 HydrophobicContact CB-CG 4.44Å; D198-R200 PolarHBondContact O-N 2.89Å; D198-R200 VanDerWaalsContact O-N 3.16Å; D198-R200 IonicContact OD2-CZ 3.6Å; D198-R200 IonicContact OD2-NE 3.61Å; D198-R200 IonicContact OD2-NH2 3.88Å; D198-R200 PolarHBondContact OD2-NH2 3.23Å; D198-S223 WeakPolarHBondContact OD1-CB 3.08Å; D198-S223 PolarHBondContact OD1-OG 3.46Å; D198-F286 HydrophobicContact CB-CE1 4.02Å; D198-F286 WeakPolarHBondContact OD1-CE1 3.21Å; D198-R287 VanDerWaalsContact C-CD 3.47Å; D198-R287 VanDerWaalsContact CB-NH1 3.28Å; D198-R287 WeakPolarHBondContact O-CD 3.45Å; D198-R287 VanDerWaalsContact O-CZ 3.23Å; D198-R287 PolarHBondContact O-NE 2.9Å; D198-R287 PolarHBondContact O-NH1 3.16Å
199	K	96.4	Very high	97.9	Very high	116 Å²	116	34.7 Å²	34.7	50%	0.504	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	58.4	25.7	-174.3	-48.6	-177.6	174	-165.8	0	113.6	A155 V156 C196 I197 C201 R287	A155-K199 CarbonylContact C-O 3.59Å; A155-K199 VanDerWaalsContact CA-O 3.31Å; A155-K199 WeakPolarHBondContact CA-O 3.3Å; A155-K199 HydrophobicContact CB-CB 3.92Å; V156-K199 PolarHBondContact N-O 2.96Å; C196-K199 PolarHBondContact O-N 3.41Å; C196-K199 VanDerWaalsContact O-N 3.09Å; I197-K199 PolarHBondContact O-N 3.32Å; I197-K199 VanDerWaalsContact O-N 3.15Å; K199-C201 VanDerWaalsContact C-N 3.34Å; K199-C201 PolarHBondContact O-N 3.03Å; K199-R287 HydrophobicContact CD-CB 4.41Å; K199-R287 HydrophobicContact CG-CB 4.31Å
200	R	97.2	Very high	97.8	Very high	19 Å²	19	35.4 Å²	35.4	7%	0.072	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-92	68	171.4	-66.7	-172.2	-85.7	-172.1	-7.1	108.6	E153 A191 I197 D198 Y202 Y204	E153-R200 IonicContact OE1-NH1 2.78Å; E153-R200 PolarHBondContact OE1-NH1 3.11Å; A191-R200 VanDerWaalsContact CB-CZ 3.47Å; I197-R200 WeakPolarHBondContact O-CB 3.41Å; I197-R200 PolarHBondContact O-N 3.27Å; D198-R200 HydrophobicContact CB-CG 4.44Å; D198-R200 PolarHBondContact O-N 2.89Å; D198-R200 VanDerWaalsContact O-N 3.16Å; D198-R200 IonicContact OD2-CZ 3.6Å; D198-R200 IonicContact OD2-NE 3.61Å; D198-R200 IonicContact OD2-NH2 3.88Å; D198-R200 PolarHBondContact OD2-NH2 3.23Å; R200-Y202 HydrophobicContact CB-CD1 4.23Å; R200-Y202 HydrophobicContact CB-CE1 3.8Å; R200-Y202 HydrophobicContact CB-CE2 4.21Å; R200-Y202 HydrophobicContact CG-CE1 4.16Å; R200-Y202 HydrophobicContact CG-CE2 4.48Å; R200-Y202 PolarHBondContact O-N 2.68Å; R200-Y204 PolarHBondContact O-OH 2.83Å
201	C	97.4	Very high	97.8	Very high	35 Å²	35	35.4 Å²	35.4	24%	0.236	18%	0.176	C	C	.	.			trans	-78.3	60.1	-178.2	-63.7	0	0	0	0	110.7	V156 D158 Y163 C196 K199	V156-C201 VanDerWaalsContact O-CB 3.32Å; V156-C201 WeakPolarHBondContact O-CB 3.37Å; V156-C201 PolarHBondContact O-N 2.86Å; V156-C201 VanDerWaalsContact O-N 3.12Å; D158-C201 HydrophobicContact CB-CB 4.08Å; Y163-C201 WeakPolarHBondContact CD2-O 3.3Å; Y163-C201 WeakPolarHBondContact CE2-O 3.36Å; C196-C201 HydrophobicContact CB-CB 3.86Å; C196-C201 WeakPolarHBondContact CB-SG 3.38Å; C196-C201 WeakPolarHBondContact SG-CA 3.27Å; C196-C201 WeakPolarHBondContact SG-CB 3.32Å; C196-C201 PolarHBondContact SG-N 3.31Å; C196-C201 CovalentContact SG-SG 2.01Å; C196-C201 PolarHBondContact SG-SG 3.23Å; K199-C201 VanDerWaalsContact C-N 3.34Å; K199-C201 PolarHBondContact O-N 3.03Å
202	Y	98.3	Very high	97.8	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.039	19%	0.188	C	C	.	.			trans	-80.2	159.3	-173.2	-57.8	-12.4	0	0	0	112.7	V152 Q154 V156 L166 F188 R200 Y204 I207	V152-Y202 PolarHBondContact O-OH 2.98Å; V152-Y202 VanDerWaalsContact O-OH 3.06Å; Q154-Y202 PolarHBondContact N-OH 2.95Å; Q154-Y202 WeakPolarHBondContact O-CE1 3.17Å; Q154-Y202 PolarHBondContact O-OH 3.17Å; V156-Y202 HydrophobicContact CB-CD1 3.77Å; V156-Y202 HydrophobicContact CB-CE1 3.58Å; V156-Y202 HydrophobicContact CG1-CD1 4.33Å; V156-Y202 HydrophobicContact CG2-CD1 4.02Å; V156-Y202 HydrophobicContact CG2-CE1 3.47Å; V156-Y202 VanDerWaalsContact CG2-CE1 3.47Å; L166-Y202 HydrophobicContact CD2-CD1 3.73Å; L166-Y202 HydrophobicContact CD2-CD2 3.74Å; L166-Y202 HydrophobicContact CD2-CE1 3.85Å; L166-Y202 HydrophobicContact CD2-CE2 3.82Å; L166-Y202 HydrophobicContact CD2-CG 3.7Å; F188-Y202 HydrophobicContact CE1-CD2 4.19Å; F188-Y202 HydrophobicContact CE1-CE2 4.26Å; F188-Y202 HydrophobicContact CZ-CD2 4.49Å; F188-Y202 HydrophobicContact CZ-CE2 4.37Å; R200-Y202 HydrophobicContact CB-CD1 4.23Å; R200-Y202 HydrophobicContact CB-CE1 3.8Å; R200-Y202 HydrophobicContact CB-CE2 4.21Å; R200-Y202 HydrophobicContact CG-CE1 4.16Å; R200-Y202 HydrophobicContact CG-CE2 4.48Å; R200-Y202 PolarHBondContact O-N 2.68Å; Y202-Y204 HydrophobicContact CD2-CE1 4.33Å; Y202-Y204 VanDerWaalsContact O-CD2 3.24Å; Y202-Y204 WeakPolarHBondContact O-CD2 3.21Å; Y202-Y204 PolarHBondContact O-N 2.9Å; Y202-I207 HydrophobicContact CD2-CD1 4.49Å
203	D	98.4	Very high	97.8	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	18%	0.184	C	C	.	.			trans	-75.2	74.2	167.1	-166.3	-20	0	0	0	110.5	Y163 T167 V205 T206 I207	Y163-D203 HydrophobicContact CE1-CB 3.79Å; Y163-D203 HydrophobicContact CE2-CB 3.98Å; Y163-D203 VanDerWaalsContact CE2-N 3.3Å; Y163-D203 VanDerWaalsContact CZ-CB 3.41Å; Y163-D203 WeakPolarHBondContact OH-CA 3.36Å; Y163-D203 VanDerWaalsContact OH-CB 3.25Å; Y163-D203 WeakPolarHBondContact OH-CB 3.29Å; T167-D203 WeakPolarHBondContact OG1-CB 3.43Å; D203-V205 PolarHBondContact O-N 3.01Å; D203-V205 PolarHBondContact OD1-N 2.78Å; D203-T206 VanDerWaalsContact CG-CB 3.41Å; D203-T206 PolarHBondContact O-N 2.79Å; D203-T206 PolarHBondContact OD1-N 2.6Å; D203-T206 PolarHBondContact OD1-OG1 3.08Å; D203-T206 WeakPolarHBondContact OD2-CB 2.9Å; D203-T206 PolarHBondContact OD2-OG1 2.98Å; D203-I207 VanDerWaalsContact O-CB 3.32Å; D203-I207 WeakPolarHBondContact O-CB 3.34Å; D203-I207 VanDerWaalsContact O-CG1 3.25Å; D203-I207 WeakPolarHBondContact O-CG1 3.37Å; D203-I207 PolarHBondContact O-N 3.11Å
204	Y	98.4	Very high	97.8	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.047	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-31.9	-177.3	-62.3	-70.8	0	0	0	113	V190 P194 R200 Y202 A208 Y247	V190-Y204 HydrophobicContact CB-CD1 4.08Å; V190-Y204 HydrophobicContact CB-CE1 3.83Å; V190-Y204 HydrophobicContact CG1-CD1 3.81Å; V190-Y204 HydrophobicContact CG1-CE1 3.94Å; P194-Y204 VanDerWaalsContact CA-CE2 3.49Å; P194-Y204 HydrophobicContact CB-CD2 3.91Å; P194-Y204 HydrophobicContact CB-CE2 4.02Å; P194-Y204 HydrophobicContact CB-CG 4.47Å; P194-Y204 VanDerWaalsContact O-CE2 3.29Å; P194-Y204 WeakPolarHBondContact O-CE2 3.37Å; R200-Y204 PolarHBondContact O-OH 2.83Å; Y202-Y204 HydrophobicContact CD2-CE1 4.33Å; Y202-Y204 VanDerWaalsContact O-CD2 3.24Å; Y202-Y204 WeakPolarHBondContact O-CD2 3.21Å; Y202-Y204 PolarHBondContact O-N 2.9Å; Y204-A208 WeakPolarHBondContact O-CB 3.48Å; Y204-A208 PolarHBondContact O-N 2.79Å; Y204-Y247 AromaticContact CD1-CE1 3.8Å; Y204-Y247 HydrophobicContact CD1-CE1 3.8Å; Y204-Y247 HydrophobicContact CE1-CE1 4.28Å; Y204-Y247 WeakPolarHBondContact CE1-OH 3.4Å; Y204-Y247 AromaticContact CG-CE1 3.94Å; Y204-Y247 HydrophobicContact CG-CE1 3.94Å
205	V	98.4	Very high	97.8	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.236	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-48.9	-179.1	176.4	0	0	0	0	110.4	D203 A208 K209 L250 I252	D203-V205 PolarHBondContact O-N 3.01Å; D203-V205 PolarHBondContact OD1-N 2.78Å; V205-A208 PolarHBondContact O-N 2.9Å; V205-K209 HydrophobicContact CG1-CD 4.23Å; V205-K209 VanDerWaalsContact O-CG 3.3Å; V205-K209 WeakPolarHBondContact O-CG 3.48Å; V205-K209 PolarHBondContact O-N 3.07Å; V205-L250 HydrophobicContact CG2-CB 3.88Å; V205-L250 HydrophobicContact CG2-CD1 4.49Å; V205-L250 WeakPolarHBondContact CG2-O 3.42Å; V205-I252 HydrophobicContact CG2-CG1 4.45Å
206	T	98.4	Very high	97.9	Very high	50 Å²	50	29.1 Å²	29.1	31%	0.307	15%	0.149	S	C	.	.	H	α-helix	trans	-72.5	-37.1	-179.4	-53.1	0	0	0	0	111.5	T167 D203 K209 S210	T167-T206 HydrophobicContact CG2-CG2 3.21Å; D203-T206 VanDerWaalsContact CG-CB 3.41Å; D203-T206 PolarHBondContact O-N 2.79Å; D203-T206 PolarHBondContact OD1-N 2.6Å; D203-T206 PolarHBondContact OD1-OG1 3.08Å; D203-T206 WeakPolarHBondContact OD2-CB 2.9Å; D203-T206 PolarHBondContact OD2-OG1 2.98Å; T206-K209 PolarHBondContact O-N 3.15Å; T206-S210 WeakPolarHBondContact O-CB 2.84Å; T206-S210 PolarHBondContact O-N 3.09Å; T206-S210 PolarHBondContact O-OG 3.29Å
207	I	98.7	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.6	-52.3	171.6	-72.2	169.9	0	0	0	110.1	L166 V170 F188 Y202 D203 K209 S210 C211	L166-I207 HydrophobicContact CD2-CD1 4.37Å; L166-I207 HydrophobicContact CG-CD1 4.44Å; V170-I207 HydrophobicContact CG1-CG2 4.34Å; V170-I207 HydrophobicContact CG2-CG1 4.28Å; V170-I207 HydrophobicContact CG2-CG2 4.38Å; F188-I207 HydrophobicContact CB-CG2 4.03Å; F188-I207 HydrophobicContact CD1-CG2 3.86Å; F188-I207 HydrophobicContact CD2-CG2 4.46Å; F188-I207 HydrophobicContact CE1-CD1 4.35Å; F188-I207 HydrophobicContact CE1-CG2 4.49Å; F188-I207 HydrophobicContact CG-CG2 3.85Å; Y202-I207 HydrophobicContact CD2-CD1 4.49Å; D203-I207 VanDerWaalsContact O-CB 3.32Å; D203-I207 WeakPolarHBondContact O-CB 3.34Å; D203-I207 VanDerWaalsContact O-CG1 3.25Å; D203-I207 WeakPolarHBondContact O-CG1 3.37Å; D203-I207 PolarHBondContact O-N 3.11Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 3.25Å; I207-S210 WeakPolarHBondContact O-CB 3.34Å; I207-S210 PolarHBondContact O-N 3.39Å; I207-C211 PolarHBondContact O-N 3.04Å; I207-C211 VanDerWaalsContact O-N 3.09Å; I207-C211 PolarHBondContact O-SG 2.98Å
208	A	98.6	Very high	98.1	Very high	3 Å²	3	27 Å²	27	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-31.4	-179.5	0	0	0	0	0	113.6	Y204 V205 S210 V214 I252 K256	Y204-A208 WeakPolarHBondContact O-CB 3.48Å; Y204-A208 PolarHBondContact O-N 2.79Å; V205-A208 PolarHBondContact O-N 2.9Å; A208-S210 VanDerWaalsContact C-N 3.3Å; A208-V214 HydrophobicContact CB-CG2 3.69Å; A208-I252 HydrophobicContact CB-CB 4.44Å; A208-I252 HydrophobicContact CB-CD1 4Å; A208-I252 HydrophobicContact CB-CG1 3.94Å; A208-I252 HydrophobicContact CB-CG2 3.68Å; A208-K256 WeakPolarHBondContact O-CE 3.33Å
209	K	98.4	Very high	98.3	Very high	157 Å²	157	27.2 Å²	27.2	68%	0.683	14%	0.136	S	C	*	.	H	α-helix	trans	-69.9	-29.9	172.7	-76	171.3	-178.3	172.9	0	112.5	V205 T206 I207	V205-K209 HydrophobicContact CG1-CD 4.23Å; V205-K209 VanDerWaalsContact O-CG 3.3Å; V205-K209 WeakPolarHBondContact O-CG 3.48Å; V205-K209 PolarHBondContact O-N 3.07Å; T206-K209 PolarHBondContact O-N 3.15Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 3.25Å
210	S	98.4	Very high	98.4	Very high	18 Å²	18	22.8 Å²	22.8	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-83.4	-47.3	-172.1	-60.1	0	0	0	0	112.7	T174 T206 I207 A208	T174-S210 WeakPolarHBondContact CB-O 3.24Å; T174-S210 WeakPolarHBondContact CG2-O 3.06Å; T174-S210 PolarHBondContact OG1-O 3.31Å; T206-S210 WeakPolarHBondContact O-CB 2.84Å; T206-S210 PolarHBondContact O-N 3.09Å; T206-S210 PolarHBondContact O-OG 3.29Å; I207-S210 WeakPolarHBondContact O-CB 3.34Å; I207-S210 PolarHBondContact O-N 3.39Å; A208-S210 VanDerWaalsContact C-N 3.3Å
211	C	98.3	Very high	98.5	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-88.7	168.5	-178.2	62	0	0	0	0	112.3	V170 V186 I207 L213 K256	V170-C211 HydrophobicContact CG1-CB 3.69Å; V186-C211 HydrophobicContact CG1-CB 4.24Å; V186-C211 WeakPolarHBondContact O-CB 3.44Å; I207-C211 PolarHBondContact O-N 3.04Å; I207-C211 VanDerWaalsContact O-N 3.09Å; I207-C211 PolarHBondContact O-SG 2.98Å; C211-L213 PolarHBondContact SG-O 3.26Å; C211-K256 VanDerWaalsContact O-CE 3.24Å; C211-K256 WeakPolarHBondContact O-CE 3.44Å; C211-K256 PolarHBondContact O-NZ 3.4Å
212	D	97.9	Very high	98.5	Very high	47 Å²	47	20.9 Å²	20.9	25%	0.251	11%	0.107	S	C	.	.	S	Bend	trans	-71.5	-43.3	177	-62.6	-55.9	0	0	0	111.6	H178 Q185 V186 K256	H178-D212 IonicContact CE1-OD1 3.44Å; H178-D212 PolarHBondContact CE1-OD1 3.02Å; H178-D212 VanDerWaalsContact CE1-OD1 3.27Å; H178-D212 IonicContact CE1-OD2 3.23Å; H178-D212 IonicContact NE2-OD1 2.76Å; H178-D212 PolarHBondContact NE2-OD1 3.38Å; H178-D212 IonicContact NE2-OD2 2.99Å; H178-D212 PolarHBondContact NE2-OD2 3.34Å; Q185-D212 WeakPolarHBondContact CA-OD2 3.24Å; Q185-D212 HydrophobicContact CG-CB 4.4Å; V186-D212 PolarHBondContact N-OD2 2.79Å; V186-D212 WeakPolarHBondContact O-CA 3.15Å; V186-D212 WeakPolarHBondContact O-CB 3.27Å; V186-D212 PolarHBondContact O-N 3.46Å; D212-K256 WeakPolarHBondContact O-CE 3.39Å; D212-K256 PolarHBondContact O-NZ 2.7Å
213	L	98.4	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.9	-173.7	-55.9	173.9	0	0	0	111.6	E69 Q185 V186 S187 F188 C211 K256 L258 R360	E69-L213 HydrophobicContact CG-CD1 4.28Å; Q185-L213 VanDerWaalsContact CD-CD1 3.46Å; Q185-L213 HydrophobicContact CG-CD1 4Å; V186-L213 PolarHBondContact O-N 3.15Å; S187-L213 WeakPolarHBondContact CA-O 3.21Å; F188-L213 PolarHBondContact N-O 2.91Å; C211-L213 PolarHBondContact SG-O 3.26Å; L213-K256 CarbonylContact C-O 3.48Å; L213-K256 WeakPolarHBondContact CA-O 3.31Å; L213-L258 HydrophobicContact CB-CD1 4.25Å; L213-L258 HydrophobicContact CD1-CD1 3.98Å; L213-R360 HydrophobicContact CD2-CB 4.28Å; L213-R360 HydrophobicContact CD2-CG 3.34Å
214	V	98.6	Very high	98.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117	170.3	173	0	0	0	0	108	F188 V190 A208 V216 K256 L257 L258	F188-V214 WeakPolarHBondContact O-CA 3.23Å; V190-V214 HydrophobicContact CB-CG1 4.15Å; V190-V214 HydrophobicContact CG1-CG1 3.65Å; V190-V214 HydrophobicContact CG2-CG1 3.36Å; A208-V214 HydrophobicContact CB-CG2 3.69Å; V214-V216 HydrophobicContact CG1-CG2 4.28Å; V214-K256 PolarHBondContact N-O 2.82Å; V214-L257 HydrophobicContact CB-CD2 4.17Å; V214-L257 HydrophobicContact CG1-CD2 4.17Å; V214-L258 PolarHBondContact O-N 2.92Å
215	F	98.9	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.8	177.1	-170.1	-85.9	0	0	0	109.4	F71 F73 F188 D189 V190 M217 Y219 L258	F71-F215 HydrophobicContact CB-CD2 4.4Å; F71-F215 HydrophobicContact CB-CE2 4.24Å; F71-F215 AromaticContact CD1-CD2 3.91Å; F71-F215 HydrophobicContact CD1-CD2 3.91Å; F71-F215 HydrophobicContact CD1-CE2 4.01Å; F71-F215 HydrophobicContact CE1-CD2 4.44Å; F71-F215 HydrophobicContact CG-CD2 4.24Å; F71-F215 HydrophobicContact CG-CE2 4.41Å; F73-F215 HydrophobicContact CD2-CE1 4.37Å; F73-F215 HydrophobicContact CD2-CE2 4.43Å; F73-F215 HydrophobicContact CD2-CZ 4.08Å; F73-F215 AromaticContact CE2-CD1 3.76Å; F73-F215 HydrophobicContact CE2-CD1 3.76Å; F73-F215 AromaticContact CE2-CD2 3.89Å; F73-F215 HydrophobicContact CE2-CD2 3.89Å; F73-F215 AromaticContact CE2-CE1 3.49Å; F73-F215 HydrophobicContact CE2-CE1 3.49Å; F73-F215 VanDerWaalsContact CE2-CE1 3.49Å; F73-F215 AromaticContact CE2-CE2 3.63Å; F73-F215 HydrophobicContact CE2-CE2 3.63Å; F73-F215 AromaticContact CE2-CG 3.96Å; F73-F215 HydrophobicContact CE2-CG 3.96Å; F73-F215 AromaticContact CE2-CZ 3.42Å; F73-F215 HydrophobicContact CE2-CZ 3.42Å; F73-F215 VanDerWaalsContact CE2-CZ 3.42Å; F73-F215 AromaticContact CZ-CD1 3.91Å; F73-F215 HydrophobicContact CZ-CD1 3.91Å; F73-F215 HydrophobicContact CZ-CD2 4.43Å; F73-F215 HydrophobicContact CZ-CE1 4.04Å; F73-F215 HydrophobicContact CZ-CG 4.12Å; F73-F215 HydrophobicContact CZ-CZ 4.37Å; F188-F215 PolarHBondContact O-N 3.37Å; D189-F215 CarbonylContact C-O 3.46Å; D189-F215 WeakPolarHBondContact CA-O 3.49Å; D189-F215 WeakPolarHBondContact OD1-CB 3.46Å; V190-F215 PolarHBondContact N-O 3.22Å; F215-M217 HydrophobicContact CD1-CG 4.03Å; F215-M217 HydrophobicContact CE1-CG 4.28Å; F215-M217 PolarHBondContact O-N 3.19Å; F215-Y219 HydrophobicContact CE1-CE1 4.21Å; F215-L258 HydrophobicContact CD2-CB 3.85Å; F215-L258 HydrophobicContact CD2-CD1 3.95Å; F215-L258 HydrophobicContact CE2-CB 4.5Å
216	V	98.9	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110.5	-179.9	-179.4	0	0	0	0	108.3	V190 V214 S218 Y244 Y247 L257 L258 G260	V190-V216 HydrophobicContact CG2-CB 4.03Å; V190-V216 HydrophobicContact CG2-CG1 4.35Å; V190-V216 HydrophobicContact CG2-CG2 3.6Å; V214-V216 HydrophobicContact CG1-CG2 4.28Å; V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.04Å; V216-S218 PolarHBondContact O-OG 2.81Å; V216-Y244 HydrophobicContact CB-CE1 4.07Å; V216-Y244 VanDerWaalsContact CB-OH 3.31Å; V216-Y244 WeakPolarHBondContact CB-OH 3.25Å; V216-Y244 HydrophobicContact CG1-CE1 4.44Å; V216-Y244 HydrophobicContact CG1-CE2 4.43Å; V216-Y244 HydrophobicContact CG2-CE1 4.13Å; V216-Y244 PolarHBondContact O-OH 3.38Å; V216-Y247 HydrophobicContact CB-CE2 4.44Å; V216-Y247 HydrophobicContact CG1-CD2 4.1Å; V216-Y247 HydrophobicContact CG1-CE2 3.58Å; V216-Y247 HydrophobicContact CG2-CD2 4.08Å; V216-Y247 HydrophobicContact CG2-CE2 3.96Å; V216-L257 HydrophobicContact CG2-CD2 4.09Å; V216-L258 PolarHBondContact N-O 2.86Å; V216-G260 VanDerWaalsContact O-CA 3.26Å; V216-G260 WeakPolarHBondContact O-CA 3.3Å; V216-G260 PolarHBondContact O-N 2.97Å
217	M	98.8	Very high	97.8	Very high	13 Å²	13	25 Å²	25	6%	0.064	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	76.2	-177.4	-65.7	-172.3	-76.4	0	0	111.1	E153 D189 V190 W192 F215 Y219	E153-M217 HydrophobicContact CG-CE 4.33Å; E153-M217 WeakPolarHBondContact OE1-CE 3.42Å; D189-M217 HydrophobicContact CB-CE 3.93Å; D189-M217 HydrophobicContact CB-CG 4.24Å; D189-M217 HydrophobicContact CB-SD 3.97Å; V190-M217 WeakPolarHBondContact O-CB 3.23Å; V190-M217 WeakPolarHBondContact O-CE 3.43Å; V190-M217 PolarHBondContact O-N 3.2Å; W192-M217 VanDerWaalsContact CB-O 3.26Å; W192-M217 WeakPolarHBondContact CB-O 3.36Å; F215-M217 HydrophobicContact CD1-CG 4.03Å; F215-M217 HydrophobicContact CE1-CG 4.28Å; F215-M217 PolarHBondContact O-N 3.19Å; M217-Y219 HydrophobicContact CB-CD2 4.33Å; M217-Y219 HydrophobicContact CB-CE1 4.2Å; M217-Y219 HydrophobicContact CB-CE2 3.68Å; M217-Y219 HydrophobicContact CG-CE2 4.15Å; M217-Y219 WeakPolarHBondContact CG-OH 3.45Å; M217-Y219 PolarHBondContact O-N 2.98Å; M217-Y219 HydrophobicContact SD-CE2 4.36Å
218	S	98.6	Very high	97.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	17%	0.171	C	C	.	.			trans	-86	60.8	-171.2	-37	0	0	0	0	111.5	V216 A235 Y244 G260	V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.04Å; V216-S218 PolarHBondContact O-OG 2.81Å; S218-A235 WeakPolarHBondContact O-CB 3.27Å; S218-Y244 VanDerWaalsContact OG-CE2 3.25Å; S218-Y244 WeakPolarHBondContact OG-CE2 3.36Å; S218-Y244 PolarHBondContact OG-OH 2.89Å; S218-G260 CarbonylContact C-O 3.58Å; S218-G260 WeakPolarHBondContact CA-O 3.27Å; S218-G260 WeakPolarHBondContact CB-O 3.31Å; S218-G260 PolarHBondContact N-O 2.9Å
219	Y	98.7	Very high	97.7	Very high	12 Å²	12	31 Å²	31	5%	0.047	18%	0.175	C	C	.	.			trans	-156.1	169.2	178.8	42.8	-104.6	0	0	0	107.8	F215 M217 E221 P262 Y264 W365	F215-Y219 HydrophobicContact CE1-CE1 4.21Å; M217-Y219 HydrophobicContact CB-CD2 4.33Å; M217-Y219 HydrophobicContact CB-CE1 4.2Å; M217-Y219 HydrophobicContact CB-CE2 3.68Å; M217-Y219 HydrophobicContact CG-CE2 4.15Å; M217-Y219 WeakPolarHBondContact CG-OH 3.45Å; M217-Y219 PolarHBondContact O-N 2.98Å; M217-Y219 HydrophobicContact SD-CE2 4.36Å; Y219-E221 PolarHBondContact O-N 3.16Å; Y219-P262 HydrophobicContact CD1-CB 4.43Å; Y219-P262 HydrophobicContact CG-CB 4.32Å; Y219-Y264 HydrophobicContact CD2-CE1 4.35Å; Y219-Y264 WeakPolarHBondContact CD2-OH 3.26Å; Y219-Y264 HydrophobicContact CG-CE1 4.31Å; Y219-W365 HydrophobicContact CD1-CB 4.46Å; Y219-W365 HydrophobicContact CE1-CB 3.72Å; Y219-W365 HydrophobicContact CE2-CB 4.22Å
220	D	98.4	Very high	97.7	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.123	15%	0.152	C	C	.	.			trans	55	35.1	-167.9	-53.6	-33.4	0	0	0	110.6	Q222 S223 N234 Y264 Y266 D293	D220-Q222 PolarHBondContact O-N 3.5Å; D220-S223 WeakPolarHBondContact O-CB 3.39Å; D220-S223 PolarHBondContact O-N 3.47Å; D220-N234 WeakPolarHBondContact CA-OD1 3.25Å; D220-N234 PolarHBondContact N-O 3.26Å; D220-N234 PolarHBondContact N-OD1 2.76Å; D220-N234 PolarHBondContact OD1-OD1 2.87Å; D220-Y264 WeakPolarHBondContact OD1-CE2 3.15Å; D220-Y264 PolarHBondContact OD1-OH 3.29Å; D220-Y264 PolarHBondContact OD2-OH 2.64Å; D220-Y266 WeakPolarHBondContact OD1-CE2 3.32Å; D220-Y266 PolarHBondContact OD1-OH 2.87Å; D220-D293 WeakPolarHBondContact CB-OD2 3.36Å
221	E	98.5	Very high	97.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.5	-175.5	-63.6	-166.2	-163	0	0	112.7	W192 Y219 N234 Q239 T240	W192-E221 HydrophobicContact CB-CG 4.02Å; W192-E221 HydrophobicContact CD2-CB 4.22Å; W192-E221 HydrophobicContact CD2-CG 3.9Å; W192-E221 HydrophobicContact CE3-CG 4.24Å; W192-E221 HydrophobicContact CG-CB 4.41Å; W192-E221 HydrophobicContact CG-CG 3.8Å; Y219-E221 PolarHBondContact O-N 3.16Å; E221-N234 WeakPolarHBondContact CB-O 3.49Å; E221-N234 PolarHBondContact N-O 3.23Å; E221-Q239 PolarHBondContact O-NE2 3.18Å; E221-Q239 VanDerWaalsContact O-NE2 3.16Å; E221-Q239 WeakPolarHBondContact OE2-CB 3.46Å; E221-Q239 WeakPolarHBondContact OE2-CG 3.37Å; E221-T240 WeakPolarHBondContact OE1-CA 3.4Å; E221-T240 WeakPolarHBondContact OE1-CB 3.4Å; E221-T240 PolarHBondContact OE1-OG1 3.42Å; E221-T240 PolarHBondContact OE2-N 3.23Å
222	Q	97.8	Very high	97.7	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.056	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.2	173	-46.3	-55.3	-9.3	0	0	112.7	D220 Q224 I225 M232 A233 S292 D293	D220-Q222 PolarHBondContact O-N 3.5Å; Q222-Q224 PolarHBondContact O-N 3.4Å; Q222-Q224 VanDerWaalsContact O-N 3.13Å; Q222-I225 HydrophobicContact CB-CD1 4.15Å; Q222-I225 HydrophobicContact CB-CG1 4.06Å; Q222-I225 WeakPolarHBondContact O-CG1 3.5Å; Q222-M232 HydrophobicContact CG-CB 4.05Å; Q222-M232 HydrophobicContact CG-CE 4.38Å; Q222-A233 VanDerWaalsContact CG-O 3.31Å; Q222-A233 WeakPolarHBondContact CG-O 3.45Å; Q222-A233 PolarHBondContact NE2-O 2.87Å; Q222-A233 VanDerWaalsContact NE2-O 3.1Å; Q222-S292 CarbonylContact O-C 3.58Å; Q222-S292 WeakPolarHBondContact O-CA 3.48Å; Q222-D293 HydrophobicContact CB-CB 4.19Å; Q222-D293 PolarHBondContact O-N 3.33Å
223	S	96.5	Very high	97.7	Very high	7 Å²	7	24.3 Å²	24.3	5%	0.049	15%	0.145	C	C	.	.	S	Bend	trans	-53	-31.8	171.2	67.6	0	0	0	0	112	D198 D220 F286 S292 D293	D198-S223 WeakPolarHBondContact OD1-CB 3.08Å; D198-S223 PolarHBondContact OD1-OG 3.46Å; D220-S223 WeakPolarHBondContact O-CB 3.39Å; D220-S223 PolarHBondContact O-N 3.47Å; S223-F286 WeakPolarHBondContact O-CD1 3.27Å; S223-S292 WeakPolarHBondContact O-CB 3.41Å; S223-D293 PolarHBondContact N-OD2 3.15Å
224	Q	96.4	Very high	97.7	Very high	46 Å²	46	24.3 Å²	24.3	22%	0.215	14%	0.144	C	C	.	.	S	Bend	trans	-131.4	101.5	178.1	-62.1	-167.3	-70.4	0	0	111.4	I197 Q222 F286 R287 A289	I197-Q224 HydrophobicContact CD1-CB 4.3Å; I197-Q224 HydrophobicContact CD1-CG 4.38Å; Q222-Q224 PolarHBondContact O-N 3.4Å; Q222-Q224 VanDerWaalsContact O-N 3.13Å; Q224-F286 HydrophobicContact CG-CD1 4.02Å; Q224-R287 PolarHBondContact NE2-O 2.91Å; Q224-A289 HydrophobicContact CB-CB 3.77Å; Q224-A289 HydrophobicContact CG-CB 4.21Å
225	I	96.9	Very high	97.7	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-99.8	112.6	176.1	-55.6	170.3	0	0	0	108.8	Q222 D228 M232 I281 P290 C291	Q222-I225 HydrophobicContact CB-CD1 4.15Å; Q222-I225 HydrophobicContact CB-CG1 4.06Å; Q222-I225 WeakPolarHBondContact O-CG1 3.5Å; I225-D228 WeakPolarHBondContact CG2-O 3.37Å; I225-M232 HydrophobicContact CB-CE 4.39Å; I225-M232 HydrophobicContact CD1-CE 3.85Å; I225-M232 HydrophobicContact CG1-CE 3.77Å; I225-M232 HydrophobicContact CG2-CE 3.79Å; I225-I281 HydrophobicContact CD1-CD1 3.96Å; I225-P290 VanDerWaalsContact O-CD 3.23Å; I225-P290 WeakPolarHBondContact O-CD 3.49Å; I225-P290 WeakPolarHBondContact O-CG 3.33Å; I225-C291 HydrophobicContact CB-CB 3.92Å; I225-C291 HydrophobicContact CD1-CB 4.47Å; I225-C291 HydrophobicContact CG2-CB 4.28Å; I225-C291 PolarHBondContact N-O 2.99Å; I225-C291 PolarHBondContact O-N 3.46Å
226	T	94.4	Very high	97.7	Very high	123 Å²	123	24.6 Å²	24.6	76%	0.755	15%	0.146	S	C	*	.			trans	-96.5	-21.2	179.9	54.4	0	0	0	0	114
227	G	94.5	Very high	97.7	Very high	49 Å²	49	26.5 Å²	26.5	51%	0.505	16%	0.155	S	C	.	.	S	Bend	trans	-84.7	-148.7	175.6	0	0	0	0	0	113
228	D	96.1	Very high	97.6	Very high	114 Å²	114	30.5 Å²	30.5	61%	0.61	18%	0.177	S	C	*	.	S	Bend	trans	-60.4	139.1	173.9	-73.7	-27.8	0	0	0	110.8	I225 I230	I225-D228 WeakPolarHBondContact CG2-O 3.37Å; D228-I230 HydrophobicContact CB-CG2 4.01Å; D228-I230 PolarHBondContact O-N 2.79Å
229	C	97.8	Very high	97.6	Very high	15 Å²	15	33.1 Å²	33.1	10%	0.101	19%	0.189	C	C	.	.			trans	-77.1	80.4	178.7	-57.5	0	0	0	0	109.3	Y280 I281 C291	C229-Y280 CarbonylContact O-C 3.59Å; C229-Y280 WeakPolarHBondContact O-CA 3.45Å; C229-I281 VanDerWaalsContact C-CG1 3.45Å; C229-I281 HydrophobicContact CB-CG1 4.21Å; C229-I281 VanDerWaalsContact O-CG1 3.32Å; C229-I281 WeakPolarHBondContact O-CG1 3.35Å; C229-I281 PolarHBondContact O-N 3.31Å; C229-C291 HydrophobicContact CB-CB 3.75Å; C229-C291 WeakPolarHBondContact CB-SG 3.43Å; C229-C291 WeakPolarHBondContact SG-CB 3.48Å; C229-C291 CovalentContact SG-SG 2Å; C229-C291 PolarHBondContact SG-SG 3.07Å
230	I	98.3	Very high	97.6	Very high	41 Å²	41	32.6 Å²	32.6	21%	0.21	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-123.4	152.3	-178.6	62.2	170.9	0	0	0	110.7	D228 M232 I278 C279 Y280	D228-I230 HydrophobicContact CB-CG2 4.01Å; D228-I230 PolarHBondContact O-N 2.79Å; I230-M232 HydrophobicContact CD1-CG 4.33Å; I230-M232 HydrophobicContact CD1-SD 4.5Å; I230-M232 HydrophobicContact CG1-CG 4.02Å; I230-M232 HydrophobicContact CG1-SD 4.25Å; I230-I278 HydrophobicContact CB-CG2 4.13Å; I230-I278 HydrophobicContact CD1-CG2 4.4Å; I230-I278 HydrophobicContact CG2-CG2 3.48Å; I230-I278 VanDerWaalsContact CG2-CG2 3.48Å; I230-C279 CarbonylContact C-O 3.56Å; I230-C279 VanDerWaalsContact CA-O 3.24Å; I230-C279 WeakPolarHBondContact CA-O 3.44Å; I230-Y280 HydrophobicContact CG2-CD1 3.68Å; I230-Y280 HydrophobicContact CG2-CE1 3.79Å; I230-Y280 HydrophobicContact CG2-CG 4.25Å
231	A	98.4	Very high	97.6	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	19%	0.186	C	C	.	.			trans	-69.7	134.7	172.3	0	0	0	0	0	110.3	Y268 C279 I281 Q338 W340	A231-Y268 HydrophobicContact CB-CD1 4.4Å; A231-Y268 HydrophobicContact CB-CD2 3.46Å; A231-Y268 VanDerWaalsContact CB-CD2 3.46Å; A231-Y268 HydrophobicContact CB-CE2 4.12Å; A231-Y268 HydrophobicContact CB-CG 3.61Å; A231-C279 HydrophobicContact CB-CB 4.09Å; A231-C279 PolarHBondContact N-O 2.91Å; A231-I281 HydrophobicContact CB-CG2 3.73Å; A231-Q338 HydrophobicContact CB-CB 4.41Å; A231-Q338 VanDerWaalsContact CB-OE1 3.22Å; A231-W340 PolarHBondContact O-NE1 2.86Å
232	M	98.3	Very high	97.6	Very high	36 Å²	36	37.2 Å²	37.2	18%	0.177	21%	0.206	C	C	.	.			trans	-140.9	169.2	-176.1	-67.4	-179.3	-72.4	0	0	110.8	Q222 I225 I230 W340	Q222-M232 HydrophobicContact CG-CB 4.05Å; Q222-M232 HydrophobicContact CG-CE 4.38Å; I225-M232 HydrophobicContact CB-CE 4.39Å; I225-M232 HydrophobicContact CD1-CE 3.85Å; I225-M232 HydrophobicContact CG1-CE 3.77Å; I225-M232 HydrophobicContact CG2-CE 3.79Å; I230-M232 HydrophobicContact CD1-CG 4.33Å; I230-M232 HydrophobicContact CD1-SD 4.5Å; I230-M232 HydrophobicContact CG1-CG 4.02Å; I230-M232 HydrophobicContact CG1-SD 4.25Å; M232-W340 VanDerWaalsContact C-CG 3.5Å; M232-W340 WeakPolarHBondContact O-CB 3.38Å
233	A	98.5	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.			trans	-59.5	140.9	177.3	0	0	0	0	0	111.7	Q222 A235 P236 Q322 A324 W340	Q222-A233 VanDerWaalsContact CG-O 3.31Å; Q222-A233 WeakPolarHBondContact CG-O 3.45Å; Q222-A233 PolarHBondContact NE2-O 2.87Å; Q222-A233 VanDerWaalsContact NE2-O 3.1Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-P236 HydrophobicContact CB-CB 4.29Å; A233-P236 HydrophobicContact CB-CG 4.01Å; A233-P236 WeakPolarHBondContact O-CD 3.48Å; A233-Q322 HydrophobicContact CB-CB 4.13Å; A233-Q322 VanDerWaalsContact CB-OE1 3.25Å; A233-A324 HydrophobicContact CB-CB 3.49Å; A233-A324 VanDerWaalsContact CB-CB 3.49Å; A233-W340 HydrophobicContact CB-CD2 4.38Å; A233-W340 HydrophobicContact CB-CE3 3.68Å; A233-W340 HydrophobicContact CB-CZ3 4.14Å
234	N	98.7	Very high	97.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	20%	0.202	C	C	.	.	S	Bend	trans	-64.4	-38.4	178.9	-174.2	27.9	0	0	0	112.2	D220 E221 P262 Y264 Y266	D220-N234 WeakPolarHBondContact CA-OD1 3.25Å; D220-N234 PolarHBondContact N-O 3.26Å; D220-N234 PolarHBondContact N-OD1 2.76Å; D220-N234 PolarHBondContact OD1-OD1 2.87Å; E221-N234 WeakPolarHBondContact CB-O 3.49Å; E221-N234 PolarHBondContact N-O 3.23Å; N234-P262 VanDerWaalsContact ND2-CB 3.31Å; N234-P262 WeakPolarHBondContact ND2-CB 3.48Å; N234-Y264 WeakPolarHBondContact ND2-CE2 3.41Å; N234-Y266 HydrophobicContact CB-CD2 4.3Å; N234-Y266 WeakPolarHBondContact OD1-CE2 3.25Å
235	A	98.6	Very high	97.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.205	C	C	.	.	S	Bend	trans	-138.4	78	176.3	0	0	0	0	0	109.8	S218 A233 F237 P262 K350	S218-A235 WeakPolarHBondContact O-CB 3.27Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A235-F237 PolarHBondContact O-N 3.34Å; A235-P262 HydrophobicContact CB-CG 3.94Å; A235-K350 WeakPolarHBondContact O-CE 3.45Å; A235-K350 PolarHBondContact O-NZ 3.43Å
236	P	98.5	Very high	98	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.045	21%	0.208	C	C	.	.			trans	-62.8	130.4	-179.4	-12.7	25.1	0	0	0	111.2	A233 N238 Q239 T240 Q322	A233-P236 HydrophobicContact CB-CB 4.29Å; A233-P236 HydrophobicContact CB-CG 4.01Å; A233-P236 WeakPolarHBondContact O-CD 3.48Å; P236-N238 PolarHBondContact O-N 3.44Å; P236-Q239 HydrophobicContact CB-CB 4.11Å; P236-Q239 HydrophobicContact CG-CB 4.31Å; P236-Q239 PolarHBondContact O-N 3Å; P236-T240 PolarHBondContact O-N 3.28Å; P236-T240 PolarHBondContact O-OG1 2.91Å; P236-T240 VanDerWaalsContact O-OG1 3.11Å; P236-Q322 HydrophobicContact CB-CB 4.15Å; P236-Q322 HydrophobicContact CB-CG 4.33Å
237	F	98.6	Very high	98.2	Very high	40 Å²	40	31.5 Å²	31.5	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-52.5	-52	-170.5	177.3	-100.6	0	0	0	114	A235 Q239 T240 L241 Q322 K323 P349 K350	A235-F237 PolarHBondContact O-N 3.34Å; F237-Q239 VanDerWaalsContact C-N 3.31Å; F237-Q239 PolarHBondContact O-N 3.36Å; F237-T240 PolarHBondContact O-N 3.45Å; F237-L241 HydrophobicContact CD1-CD1 4.26Å; F237-L241 HydrophobicContact CD2-CD1 4.38Å; F237-L241 HydrophobicContact CD2-CG 4.34Å; F237-L241 HydrophobicContact CE1-CD1 3.57Å; F237-L241 HydrophobicContact CE1-CG 4.31Å; F237-L241 HydrophobicContact CE2-CD1 3.68Å; F237-L241 HydrophobicContact CE2-CD2 4.36Å; F237-L241 HydrophobicContact CE2-CG 4.05Å; F237-L241 HydrophobicContact CZ-CD1 3.24Å; F237-L241 HydrophobicContact CZ-CG 4.06Å; F237-L241 WeakPolarHBondContact O-CG 3.48Å; F237-L241 PolarHBondContact O-N 2.81Å; F237-Q322 PolarHBondContact N-O 3.45Å; F237-K323 HydrophobicContact CB-CB 3.64Å; F237-K323 HydrophobicContact CB-CG 4.12Å; F237-K323 HydrophobicContact CD1-CG 4.27Å; F237-K323 HydrophobicContact CG-CB 4.23Å; F237-K323 HydrophobicContact CG-CG 4.39Å; F237-P349 HydrophobicContact CD2-CB 4.24Å; F237-P349 HydrophobicContact CE2-CB 3.52Å; F237-P349 HydrophobicContact CZ-CB 4.04Å; F237-K350 HydrophobicContact CD2-CG 3.78Å; F237-K350 HydrophobicContact CE2-CG 4.18Å
238	N	98	Very high	98.4	Very high	98 Å²	98	30.9 Å²	30.9	52%	0.524	16%	0.158	S	C	.	.	H	α-helix	trans	-65.3	-35.9	-177.7	-70.8	-34.9	0	0	0	112.1	P236 K242 E321	P236-N238 PolarHBondContact O-N 3.44Å; N238-K242 WeakPolarHBondContact O-CB 3.16Å; N238-K242 PolarHBondContact O-N 3.35Å; N238-E321 PolarHBondContact ND2-O 2.99Å; N238-E321 VanDerWaalsContact ND2-O 3.16Å
239	Q	98.3	Very high	98.5	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	16%	0.156	S	C	.	.	H	α-helix	trans	-69.7	-48.1	178.8	-173.8	175.9	-29.1	0	0	110.7	W192 E221 P236 F237 L241 K242 A243	W192-Q239 HydrophobicContact CE3-CG 4.5Å; W192-Q239 HydrophobicContact CH2-CG 4.11Å; W192-Q239 HydrophobicContact CZ3-CG 3.75Å; E221-Q239 PolarHBondContact O-NE2 3.18Å; E221-Q239 VanDerWaalsContact O-NE2 3.16Å; E221-Q239 WeakPolarHBondContact OE2-CB 3.46Å; E221-Q239 WeakPolarHBondContact OE2-CG 3.37Å; P236-Q239 HydrophobicContact CB-CB 4.11Å; P236-Q239 HydrophobicContact CG-CB 4.31Å; P236-Q239 PolarHBondContact O-N 3Å; F237-Q239 VanDerWaalsContact C-N 3.31Å; F237-Q239 PolarHBondContact O-N 3.36Å; Q239-L241 PolarHBondContact O-N 3.46Å; Q239-K242 PolarHBondContact O-N 2.84Å; Q239-A243 PolarHBondContact O-N 3.28Å
240	T	98.7	Very high	98.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-52.5	-58.6	173.7	-58.4	0	0	0	0	110.3	E221 P236 F237 K242 A243 Y244 M259	E221-T240 WeakPolarHBondContact OE1-CA 3.4Å; E221-T240 WeakPolarHBondContact OE1-CB 3.4Å; E221-T240 PolarHBondContact OE1-OG1 3.42Å; E221-T240 PolarHBondContact OE2-N 3.23Å; P236-T240 PolarHBondContact O-N 3.28Å; P236-T240 PolarHBondContact O-OG1 2.91Å; P236-T240 VanDerWaalsContact O-OG1 3.11Å; F237-T240 PolarHBondContact O-N 3.45Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 3.5Å; T240-A243 WeakPolarHBondContact O-CB 3.49Å; T240-A243 PolarHBondContact O-N 2.82Å; T240-Y244 HydrophobicContact CG2-CD2 4.25Å; T240-Y244 HydrophobicContact CG2-CE2 3.89Å; T240-Y244 VanDerWaalsContact O-CD2 3.25Å; T240-Y244 WeakPolarHBondContact O-CD2 3.32Å; T240-Y244 PolarHBondContact O-N 2.6Å; T240-M259 HydrophobicContact CG2-CE 4.33Å
241	L	98.6	Very high	98.5	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-39.6	-175.8	-65.4	-160.3	0	0	0	112.7	F237 Q239 A243 Y244 D245 M259 Y353	F237-L241 HydrophobicContact CD1-CD1 4.26Å; F237-L241 HydrophobicContact CD2-CD1 4.38Å; F237-L241 HydrophobicContact CD2-CG 4.34Å; F237-L241 HydrophobicContact CE1-CD1 3.57Å; F237-L241 HydrophobicContact CE1-CG 4.31Å; F237-L241 HydrophobicContact CE2-CD1 3.68Å; F237-L241 HydrophobicContact CE2-CD2 4.36Å; F237-L241 HydrophobicContact CE2-CG 4.05Å; F237-L241 HydrophobicContact CZ-CD1 3.24Å; F237-L241 HydrophobicContact CZ-CG 4.06Å; F237-L241 WeakPolarHBondContact O-CG 3.48Å; F237-L241 PolarHBondContact O-N 2.81Å; Q239-L241 PolarHBondContact O-N 3.46Å; L241-A243 VanDerWaalsContact C-N 3.25Å; L241-A243 PolarHBondContact O-N 3.07Å; L241-Y244 PolarHBondContact O-N 3.22Å; L241-D245 PolarHBondContact O-N 3.1Å; L241-M259 HydrophobicContact CD2-CE 4.03Å; L241-Y353 HydrophobicContact CB-CD2 4.3Å; L241-Y353 HydrophobicContact CB-CE2 4.1Å; L241-Y353 HydrophobicContact CD1-CD2 3.53Å; L241-Y353 HydrophobicContact CD1-CE2 4.1Å; L241-Y353 HydrophobicContact CD1-CG 4.01Å; L241-Y353 HydrophobicContact CD2-CD1 3.61Å; L241-Y353 HydrophobicContact CD2-CD2 3.65Å; L241-Y353 HydrophobicContact CD2-CE1 4.11Å; L241-Y353 HydrophobicContact CD2-CE2 4.12Å; L241-Y353 HydrophobicContact CD2-CG 3.35Å; L241-Y353 HydrophobicContact CG-CD2 4.01Å; L241-Y353 HydrophobicContact CG-CE2 4.32Å; L241-Y353 HydrophobicContact CG-CG 4.21Å; L241-Y353 PolarHBondContact O-OH 2.69Å
242	K	98.6	Very high	98.5	Very high	99 Å²	99	39 Å²	39	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-62.9	-34.4	177.5	-179.6	56.9	176.6	59.7	0	112	N238 Q239 T240 D245 D246	N238-K242 WeakPolarHBondContact O-CB 3.16Å; N238-K242 PolarHBondContact O-N 3.35Å; Q239-K242 PolarHBondContact O-N 2.84Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 3.5Å; K242-D245 PolarHBondContact O-N 3.14Å; K242-D246 IonicContact NZ-OD1 2.69Å; K242-D246 PolarHBondContact NZ-OD1 3.02Å; K242-D246 IonicContact NZ-OD2 3.02Å; K242-D246 PolarHBondContact NZ-OD2 3.42Å; K242-D246 VanDerWaalsContact O-CG 3.29Å; K242-D246 PolarHBondContact O-N 3.1Å
243	A	98.6	Very high	98.5	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-35	176.6	0	0	0	0	0	112.5	W192 Q239 T240 L241 D246 Y247	W192-A243 HydrophobicContact CE3-CB 3.91Å; W192-A243 HydrophobicContact CZ3-CB 4.19Å; W192-A243 WeakPolarHBondContact O-CB 3.47Å; Q239-A243 PolarHBondContact O-N 3.28Å; T240-A243 WeakPolarHBondContact O-CB 3.49Å; T240-A243 PolarHBondContact O-N 2.82Å; L241-A243 VanDerWaalsContact C-N 3.25Å; L241-A243 PolarHBondContact O-N 3.07Å; A243-D246 WeakPolarHBondContact O-CB 3.13Å; A243-D246 PolarHBondContact O-N 3.21Å; A243-Y247 WeakPolarHBondContact O-CD2 3.45Å; A243-Y247 PolarHBondContact O-N 3.1Å
244	Y	98.8	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-41.2	170.6	-77.3	-91.2	0	0	0	112.4	V216 S218 T240 L241 D246 Y247 L248 M259 G260 Y353 L359	V216-Y244 HydrophobicContact CB-CE1 4.07Å; V216-Y244 VanDerWaalsContact CB-OH 3.31Å; V216-Y244 WeakPolarHBondContact CB-OH 3.25Å; V216-Y244 HydrophobicContact CG1-CE1 4.44Å; V216-Y244 HydrophobicContact CG1-CE2 4.43Å; V216-Y244 HydrophobicContact CG2-CE1 4.13Å; V216-Y244 PolarHBondContact O-OH 3.38Å; S218-Y244 VanDerWaalsContact OG-CE2 3.25Å; S218-Y244 WeakPolarHBondContact OG-CE2 3.36Å; S218-Y244 PolarHBondContact OG-OH 2.89Å; T240-Y244 HydrophobicContact CG2-CD2 4.25Å; T240-Y244 HydrophobicContact CG2-CE2 3.89Å; T240-Y244 VanDerWaalsContact O-CD2 3.25Å; T240-Y244 WeakPolarHBondContact O-CD2 3.32Å; T240-Y244 PolarHBondContact O-N 2.6Å; L241-Y244 PolarHBondContact O-N 3.22Å; Y244-D246 VanDerWaalsContact C-N 3.26Å; Y244-D246 PolarHBondContact O-N 2.91Å; Y244-Y247 PolarHBondContact O-N 2.96Å; Y244-Y247 VanDerWaalsContact O-N 3.16Å; Y244-L248 VanDerWaalsContact O-CG 3.3Å; Y244-L248 WeakPolarHBondContact O-CG 3.36Å; Y244-L248 PolarHBondContact O-N 3.14Å; Y244-M259 HydrophobicContact CD1-CE 4.41Å; Y244-M259 HydrophobicContact CD2-CE 3.62Å; Y244-M259 HydrophobicContact CE1-CB 3.96Å; Y244-M259 HydrophobicContact CE1-CE 4.26Å; Y244-M259 HydrophobicContact CE1-CG 4.35Å; Y244-M259 HydrophobicContact CE2-CB 4.47Å; Y244-M259 HydrophobicContact CE2-CE 3.5Å; Y244-M259 HydrophobicContact CE2-CG 3.95Å; Y244-M259 HydrophobicContact CE2-SD 4.46Å; Y244-M259 HydrophobicContact CG-CE 4.12Å; Y244-M259 WeakPolarHBondContact OH-CA 3.08Å; Y244-M259 WeakPolarHBondContact OH-CB 3.31Å; Y244-M259 WeakPolarHBondContact OH-CG 3.15Å; Y244-G260 PolarHBondContact OH-N 3.5Å; Y244-Y353 WeakPolarHBondContact CB-OH 3.26Å; Y244-Y353 HydrophobicContact CG-CE1 4.03Å; Y244-L359 HydrophobicContact CD1-CD1 3.48Å; Y244-L359 VanDerWaalsContact CD1-CD1 3.48Å; Y244-L359 HydrophobicContact CE1-CD1 3.81Å; Y244-L359 HydrophobicContact CG-CD1 4.28Å
245	D	98.7	Very high	98.3	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-40.7	173.2	-72.2	-26.6	0	0	0	110.4	L241 K242 Y247 L248 D249 Y353 K357	L241-D245 PolarHBondContact O-N 3.1Å; K242-D245 PolarHBondContact O-N 3.14Å; D245-Y247 PolarHBondContact O-N 2.91Å; D245-L248 PolarHBondContact O-N 3Å; D245-D249 WeakPolarHBondContact O-CB 3.35Å; D245-D249 PolarHBondContact O-N 3.44Å; D245-Y353 PolarHBondContact N-OH 3.5Å; D245-Y353 PolarHBondContact OD1-OH 2.92Å; D245-K357 IonicContact OD1-NZ 3.77Å; D245-K357 PolarHBondContact OD1-NZ 3.05Å
246	D	98.8	Very high	98.3	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-38.5	174.5	-69.3	-39.8	0	0	0	112.4	P194 K195 K242 A243 Y244 D249 L250	P194-D246 HydrophobicContact CG-CB 3.79Å; K195-D246 WeakPolarHBondContact CE-OD2 3.42Å; K195-D246 IonicContact NZ-OD1 2.85Å; K195-D246 PolarHBondContact NZ-OD1 3.06Å; K195-D246 IonicContact NZ-OD2 2.68Å; K195-D246 PolarHBondContact NZ-OD2 3.06Å; K242-D246 IonicContact NZ-OD1 2.69Å; K242-D246 PolarHBondContact NZ-OD1 3.02Å; K242-D246 IonicContact NZ-OD2 3.02Å; K242-D246 PolarHBondContact NZ-OD2 3.42Å; K242-D246 VanDerWaalsContact O-CG 3.29Å; K242-D246 PolarHBondContact O-N 3.1Å; A243-D246 WeakPolarHBondContact O-CB 3.13Å; A243-D246 PolarHBondContact O-N 3.21Å; Y244-D246 VanDerWaalsContact C-N 3.26Å; Y244-D246 PolarHBondContact O-N 2.91Å; D246-D249 PolarHBondContact O-N 2.94Å; D246-L250 PolarHBondContact O-N 2.56Å
247	Y	98.7	Very high	98.3	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-41.7	173.3	-89.8	-69.2	0	0	0	112.5	V190 A191 P194 Y204 V216 A243 Y244 D245 D249 L250 I252	V190-Y247 HydrophobicContact CG2-CE1 4.13Å; V190-Y247 HydrophobicContact CG2-CE2 4.46Å; V190-Y247 WeakPolarHBondContact CG2-OH 3.26Å; A191-Y247 PolarHBondContact O-OH 2.89Å; P194-Y247 HydrophobicContact CB-CD1 3.9Å; P194-Y247 HydrophobicContact CB-CD2 4.49Å; P194-Y247 HydrophobicContact CB-CE1 3.64Å; P194-Y247 HydrophobicContact CB-CE2 4.25Å; P194-Y247 HydrophobicContact CB-CG 4.3Å; P194-Y247 HydrophobicContact CG-CD1 4.16Å; P194-Y247 HydrophobicContact CG-CD2 4.09Å; P194-Y247 HydrophobicContact CG-CE1 4.25Å; P194-Y247 HydrophobicContact CG-CE2 4.17Å; P194-Y247 HydrophobicContact CG-CG 4.06Å; Y204-Y247 AromaticContact CD1-CE1 3.8Å; Y204-Y247 HydrophobicContact CD1-CE1 3.8Å; Y204-Y247 HydrophobicContact CE1-CE1 4.28Å; Y204-Y247 WeakPolarHBondContact CE1-OH 3.4Å; Y204-Y247 AromaticContact CG-CE1 3.94Å; Y204-Y247 HydrophobicContact CG-CE1 3.94Å; V216-Y247 HydrophobicContact CB-CE2 4.44Å; V216-Y247 HydrophobicContact CG1-CD2 4.1Å; V216-Y247 HydrophobicContact CG1-CE2 3.58Å; V216-Y247 HydrophobicContact CG2-CD2 4.08Å; V216-Y247 HydrophobicContact CG2-CE2 3.96Å; A243-Y247 WeakPolarHBondContact O-CD2 3.45Å; A243-Y247 PolarHBondContact O-N 3.1Å; Y244-Y247 PolarHBondContact O-N 2.96Å; Y244-Y247 VanDerWaalsContact O-N 3.16Å; D245-Y247 PolarHBondContact O-N 2.91Å; Y247-D249 VanDerWaalsContact C-N 3.31Å; Y247-L250 WeakPolarHBondContact O-CB 3.17Å; Y247-L250 PolarHBondContact O-N 2.78Å; Y247-I252 HydrophobicContact CD1-CD1 3.97Å
248	L	98.6	Very high	98.3	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-33.3	177.3	-68.2	170.1	0	0	0	111.7	Y244 D245 L250 K251 L257 K357 L359	Y244-L248 VanDerWaalsContact O-CG 3.3Å; Y244-L248 WeakPolarHBondContact O-CG 3.36Å; Y244-L248 PolarHBondContact O-N 3.14Å; D245-L248 PolarHBondContact O-N 3Å; L248-L250 PolarHBondContact O-N 3.16Å; L248-K251 WeakPolarHBondContact O-CA 3.35Å; L248-K251 PolarHBondContact O-N 3.31Å; L248-L257 HydrophobicContact CD2-CD1 3.86Å; L248-L257 HydrophobicContact CG-CD1 4.22Å; L248-K357 HydrophobicContact CD1-CD 4.29Å; L248-L359 HydrophobicContact CD2-CD2 4.41Å
249	D	98.5	Very high	98.4	Very high	106 Å²	106	44.6 Å²	44.6	57%	0.567	22%	0.22	S	C	*	.	H	α-helix	trans	-64.7	-27.2	176.6	-81.3	-20.8	0	0	0	112.9	D245 D246 Y247 K251	D245-D249 WeakPolarHBondContact O-CB 3.35Å; D245-D249 PolarHBondContact O-N 3.44Å; D246-D249 PolarHBondContact O-N 2.94Å; Y247-D249 VanDerWaalsContact C-N 3.31Å; D249-K251 WeakPolarHBondContact O-CE 3.37Å; D249-K251 PolarHBondContact O-N 3.06Å; D249-K251 VanDerWaalsContact O-N 3.12Å
250	L	98.3	Very high	98.4	Very high	70 Å²	70	41.9 Å²	41.9	37%	0.366	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.5	168.5	-60.9	-178.4	0	0	0	114	P194 V205 D246 Y247 L248 I252	P194-L250 HydrophobicContact CB-CD1 3.75Å; P194-L250 HydrophobicContact CG-CD1 4.39Å; V205-L250 HydrophobicContact CG2-CB 3.88Å; V205-L250 HydrophobicContact CG2-CD1 4.49Å; V205-L250 WeakPolarHBondContact CG2-O 3.42Å; D246-L250 PolarHBondContact O-N 2.56Å; Y247-L250 WeakPolarHBondContact O-CB 3.17Å; Y247-L250 PolarHBondContact O-N 2.78Å; L248-L250 PolarHBondContact O-N 3.16Å; L250-I252 VanDerWaalsContact C-N 3.27Å; L250-I252 HydrophobicContact CB-CD1 4.37Å; L250-I252 HydrophobicContact CB-CG1 4.37Å; L250-I252 HydrophobicContact CD1-CD1 4.37Å; L250-I252 PolarHBondContact O-N 3.24Å
251	K	98.2	Very high	98.4	Very high	159 Å²	159	41.9 Å²	41.9	69%	0.691	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	25.6	-176.9	-45.3	-54.2	174.4	-156.7	0	113.8	L248 D249	L248-K251 WeakPolarHBondContact O-CA 3.35Å; L248-K251 PolarHBondContact O-N 3.31Å; D249-K251 WeakPolarHBondContact O-CE 3.37Å; D249-K251 PolarHBondContact O-N 3.06Å; D249-K251 VanDerWaalsContact O-N 3.12Å
252	I	98.4	Very high	98.4	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.056	20%	0.202	C	C	.	.			trans	-70.5	129.6	165.3	-64	167.8	0	0	0	107.7	V205 A208 Y247 L250 S254 K256 L257	V205-I252 HydrophobicContact CG2-CG1 4.45Å; A208-I252 HydrophobicContact CB-CB 4.44Å; A208-I252 HydrophobicContact CB-CD1 4Å; A208-I252 HydrophobicContact CB-CG1 3.94Å; A208-I252 HydrophobicContact CB-CG2 3.68Å; Y247-I252 HydrophobicContact CD1-CD1 3.97Å; L250-I252 VanDerWaalsContact C-N 3.27Å; L250-I252 HydrophobicContact CB-CD1 4.37Å; L250-I252 HydrophobicContact CB-CG1 4.37Å; L250-I252 HydrophobicContact CD1-CD1 4.37Å; L250-I252 PolarHBondContact O-N 3.24Å; I252-S254 PolarHBondContact O-N 3.3Å; I252-K256 HydrophobicContact CG2-CB 4.21Å; I252-L257 HydrophobicContact CG2-CD1 4.42Å; I252-L257 HydrophobicContact CG2-CD2 3.85Å; I252-L257 HydrophobicContact CG2-CG 4.01Å
253	H	97.9	Very high	98.4	Very high	137 Å²	137	36.1 Å²	36.1	63%	0.634	18%	0.181	S	C	*	.			trans	-63.3	133.6	177.5	-71.4	-87.7	0	0	0	110.1	N255 K256	H253-N255 WeakPolarHBondContact CB-OD1 3.39Å; H253-N255 PolarHBondContact O-N 2.91Å; H253-K256 HydrophobicContact CB-CG 4.09Å; H253-K256 WeakPolarHBondContact O-CB 3.31Å; H253-K256 PolarHBondContact O-N 3.22Å
254	S	97.7	Very high	98.4	Very high	38 Å²	38	36.1 Å²	36.1	27%	0.266	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-55.8	-36.3	-178.4	60.7	0	0	0	0	112.4	I252 K256 L257 K357 G358 L359 R360	I252-S254 PolarHBondContact O-N 3.3Å; S254-K256 PolarHBondContact O-N 3Å; S254-L257 PolarHBondContact O-N 3.45Å; S254-K357 WeakPolarHBondContact CB-O 3.5Å; S254-G358 CarbonylContact C-O 3.6Å; S254-G358 VanDerWaalsContact CB-O 3.27Å; S254-G358 WeakPolarHBondContact CB-O 3.37Å; S254-G358 PolarHBondContact OG-O 2.64Å; S254-L359 WeakPolarHBondContact O-CA 3.35Å; S254-R360 PolarHBondContact O-N 2.97Å
255	N	96.3	Very high	98.4	Very high	83 Å²	83	36.1 Å²	36.1	44%	0.444	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-69.2	3.4	177.5	75.2	-16.6	0	0	0	114.8	H253 R360	H253-N255 WeakPolarHBondContact CB-OD1 3.39Å; H253-N255 PolarHBondContact O-N 2.91Å; N255-R360 VanDerWaalsContact O-CB 3.29Å; N255-R360 WeakPolarHBondContact O-CB 3.45Å; N255-R360 VanDerWaalsContact O-CG 3.31Å; N255-R360 WeakPolarHBondContact O-CG 3.06Å
256	K	97.9	Very high	98.4	Very high	44 Å²	44	34.8 Å²	34.8	19%	0.191	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-98.4	-23.6	168.5	-53.6	-65.7	-83.2	176	0	112.4	A208 C211 D212 L213 V214 I252 H253 S254	A208-K256 WeakPolarHBondContact O-CE 3.33Å; C211-K256 VanDerWaalsContact O-CE 3.24Å; C211-K256 WeakPolarHBondContact O-CE 3.44Å; C211-K256 PolarHBondContact O-NZ 3.4Å; D212-K256 WeakPolarHBondContact O-CE 3.39Å; D212-K256 PolarHBondContact O-NZ 2.7Å; L213-K256 CarbonylContact C-O 3.48Å; L213-K256 WeakPolarHBondContact CA-O 3.31Å; V214-K256 PolarHBondContact N-O 2.82Å; I252-K256 HydrophobicContact CG2-CB 4.21Å; H253-K256 HydrophobicContact CB-CG 4.09Å; H253-K256 WeakPolarHBondContact O-CB 3.31Å; H253-K256 PolarHBondContact O-N 3.22Å; S254-K256 PolarHBondContact O-N 3Å
257	L	98.7	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.6	-170.4	-61.4	175.6	0	0	0	111.1	V214 V216 L248 I252 S254 L359 R360	V214-L257 HydrophobicContact CB-CD2 4.17Å; V214-L257 HydrophobicContact CG1-CD2 4.17Å; V216-L257 HydrophobicContact CG2-CD2 4.09Å; L248-L257 HydrophobicContact CD2-CD1 3.86Å; L248-L257 HydrophobicContact CG-CD1 4.22Å; I252-L257 HydrophobicContact CG2-CD1 4.42Å; I252-L257 HydrophobicContact CG2-CD2 3.85Å; I252-L257 HydrophobicContact CG2-CG 4.01Å; S254-L257 PolarHBondContact O-N 3.45Å; L257-L359 HydrophobicContact CB-CD2 4.27Å; L257-L359 HydrophobicContact CD1-CD2 4.38Å; L257-R360 WeakPolarHBondContact O-CB 3.11Å; L257-R360 PolarHBondContact O-N 3.3Å
258	L	98.6	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.1	166.3	-65.1	179.2	0	0	0	110	E69 F71 L213 V214 F215 V216 R360 G361	E69-L258 HydrophobicContact CB-CD2 3.65Å; E69-L258 HydrophobicContact CG-CD2 4.14Å; F71-L258 HydrophobicContact CB-CD1 3.82Å; F71-L258 HydrophobicContact CD2-CD1 3.6Å; F71-L258 HydrophobicContact CE2-CD1 4.33Å; F71-L258 HydrophobicContact CG-CD1 3.82Å; L213-L258 HydrophobicContact CB-CD1 4.25Å; L213-L258 HydrophobicContact CD1-CD1 3.98Å; V214-L258 PolarHBondContact O-N 2.92Å; F215-L258 HydrophobicContact CD2-CB 3.85Å; F215-L258 HydrophobicContact CD2-CD1 3.95Å; F215-L258 HydrophobicContact CE2-CB 4.5Å; V216-L258 PolarHBondContact N-O 2.86Å; L258-R360 HydrophobicContact CD2-CB 3.85Å; L258-R360 HydrophobicContact CD2-CG 4.03Å; L258-G361 WeakPolarHBondContact CA-O 3.32Å
259	M	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.3	174.7	180	-179.9	-75.3	0	0	113.2	T240 L241 Y244 V261 K350 Y353 V354 G361 I362 G363	T240-M259 HydrophobicContact CG2-CE 4.33Å; L241-M259 HydrophobicContact CD2-CE 4.03Å; Y244-M259 HydrophobicContact CD1-CE 4.41Å; Y244-M259 HydrophobicContact CD2-CE 3.62Å; Y244-M259 HydrophobicContact CE1-CB 3.96Å; Y244-M259 HydrophobicContact CE1-CE 4.26Å; Y244-M259 HydrophobicContact CE1-CG 4.35Å; Y244-M259 HydrophobicContact CE2-CB 4.47Å; Y244-M259 HydrophobicContact CE2-CE 3.5Å; Y244-M259 HydrophobicContact CE2-CG 3.95Å; Y244-M259 HydrophobicContact CE2-SD 4.46Å; Y244-M259 HydrophobicContact CG-CE 4.12Å; Y244-M259 WeakPolarHBondContact OH-CA 3.08Å; Y244-M259 WeakPolarHBondContact OH-CB 3.31Å; Y244-M259 WeakPolarHBondContact OH-CG 3.15Å; M259-V261 HydrophobicContact CG-CG1 4.09Å; M259-V261 HydrophobicContact SD-CG1 4.32Å; M259-K350 HydrophobicContact SD-CB 3.75Å; M259-Y353 HydrophobicContact CE-CD1 3.73Å; M259-Y353 HydrophobicContact CE-CE1 4.24Å; M259-V354 HydrophobicContact CB-CG2 3.56Å; M259-V354 HydrophobicContact CE-CG2 3.87Å; M259-V354 HydrophobicContact CG-CG2 4.15Å; M259-V354 HydrophobicContact SD-CG2 3.56Å; M259-V354 VanDerWaalsContact SD-CG2 3.56Å; M259-G361 PolarHBondContact N-O 3.27Å; M259-I362 HydrophobicContact CB-CG1 4.33Å; M259-I362 CarbonylContact O-C 3.52Å; M259-I362 WeakPolarHBondContact O-CA 3.21Å; M259-I362 WeakPolarHBondContact O-CG1 3.32Å; M259-G363 PolarHBondContact O-N 3.12Å
260	G	98.8	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.2	173.1	0	0	0	0	0	112.2	V216 S218 Y244 G363	V216-G260 VanDerWaalsContact O-CA 3.26Å; V216-G260 WeakPolarHBondContact O-CA 3.3Å; V216-G260 PolarHBondContact O-N 2.97Å; S218-G260 CarbonylContact C-O 3.58Å; S218-G260 WeakPolarHBondContact CA-O 3.27Å; S218-G260 WeakPolarHBondContact CB-O 3.31Å; S218-G260 PolarHBondContact N-O 2.9Å; Y244-G260 PolarHBondContact OH-N 3.5Å; G260-G363 CarbonylContact C-O 3.56Å; G260-G363 WeakPolarHBondContact CA-O 3.49Å
261	V	98.8	Very high	98.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.2	177.3	-61.6	0	0	0	0	112.1	M259 L347 K350 I362 G363 M364 W365 L389	M259-V261 HydrophobicContact CG-CG1 4.09Å; M259-V261 HydrophobicContact SD-CG1 4.32Å; V261-L347 HydrophobicContact CB-CD2 3.74Å; V261-L347 HydrophobicContact CG1-CD2 4.05Å; V261-L347 HydrophobicContact CG2-CD2 4.12Å; V261-K350 HydrophobicContact CG1-CD 4.46Å; V261-I362 HydrophobicContact CG1-CD1 3.97Å; V261-I362 HydrophobicContact CG1-CG1 4.16Å; V261-I362 HydrophobicContact CG2-CD1 4.37Å; V261-I362 HydrophobicContact CG2-CG1 4.33Å; V261-G363 WeakPolarHBondContact CG2-O 3.47Å; V261-G363 PolarHBondContact N-O 3.21Å; V261-M364 HydrophobicContact CG2-CB 4.1Å; V261-M364 VanDerWaalsContact O-CA 3.23Å; V261-M364 WeakPolarHBondContact O-CA 3.05Å; V261-W365 PolarHBondContact O-N 3.09Å; V261-W365 VanDerWaalsContact O-N 3.11Å; V261-L389 HydrophobicContact CG2-CD2 4.02Å
262	P	98.4	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.2	178.9	31.3	-30.8	0	0	0	111.5	Y219 N234 A235 Y264 D342	Y219-P262 HydrophobicContact CD1-CB 4.43Å; Y219-P262 HydrophobicContact CG-CB 4.32Å; N234-P262 VanDerWaalsContact ND2-CB 3.31Å; N234-P262 WeakPolarHBondContact ND2-CB 3.48Å; A235-P262 HydrophobicContact CB-CG 3.94Å; P262-Y264 HydrophobicContact CB-CD1 3.65Å; P262-Y264 HydrophobicContact CB-CE1 3.53Å; P262-Y264 HydrophobicContact CB-CG 4.24Å; P262-D342 HydrophobicContact CG-CB 4.33Å; P262-D342 WeakPolarHBondContact CG-OD2 3.31Å
263	W	98.6	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-98.4	30.8	162.3	-74.4	2.3	0	0	0	111.6	Y301 M364 W365 N366 I369 L370 M385 W386 L389	W263-Y301 VanDerWaalsContact O-CB 3.23Å; W263-Y301 WeakPolarHBondContact O-CB 3.25Å; W263-Y301 PolarHBondContact O-N 2.91Å; W263-M364 HydrophobicContact CD2-CB 3.91Å; W263-M364 HydrophobicContact CD2-CG 3.58Å; W263-M364 HydrophobicContact CE3-CB 4.48Å; W263-M364 HydrophobicContact CE3-CG 3.67Å; W263-M364 HydrophobicContact CG-CB 4.06Å; W263-M364 HydrophobicContact CG-CG 4.2Å; W263-M364 HydrophobicContact CH2-CG 3.88Å; W263-M364 HydrophobicContact CH2-SD 4.4Å; W263-M364 HydrophobicContact CZ2-CB 4.38Å; W263-M364 HydrophobicContact CZ2-CE 4.39Å; W263-M364 HydrophobicContact CZ2-CG 3.82Å; W263-M364 HydrophobicContact CZ3-CG 3.82Å; W263-W365 PolarHBondContact N-O 3.17Å; W263-N366 VanDerWaalsContact CE3-O 3.32Å; W263-I369 HydrophobicContact CB-CD1 3.99Å; W263-I369 HydrophobicContact CB-CG1 4.05Å; W263-I369 WeakPolarHBondContact O-CD1 3.42Å; W263-L370 HydrophobicContact CB-CD2 4.23Å; W263-L370 HydrophobicContact CD2-CD1 4.21Å; W263-L370 HydrophobicContact CD2-CD2 3.95Å; W263-L370 HydrophobicContact CD2-CG 4.15Å; W263-L370 HydrophobicContact CE3-CD1 3.6Å; W263-L370 HydrophobicContact CE3-CD2 3.76Å; W263-L370 HydrophobicContact CE3-CG 3.46Å; W263-L370 VanDerWaalsContact CE3-CG 3.46Å; W263-L370 HydrophobicContact CG-CD2 4.2Å; W263-L370 HydrophobicContact CH2-CD1 3.75Å; W263-L370 HydrophobicContact CZ2-CD1 4.31Å; W263-L370 HydrophobicContact CZ3-CD1 3.36Å; W263-L370 HydrophobicContact CZ3-CD2 4.4Å; W263-L370 HydrophobicContact CZ3-CG 3.7Å; W263-M385 VanDerWaalsContact CD1-CE 3.42Å; W263-M385 HydrophobicContact CD2-CE 4.46Å; W263-M385 HydrophobicContact CG-CE 3.91Å; W263-W386 AromaticContact CH2-CD2 3.73Å; W263-W386 HydrophobicContact CH2-CD2 3.73Å; W263-W386 AromaticContact CH2-CE2 3.53Å; W263-W386 HydrophobicContact CH2-CE3 4.03Å; W263-W386 HydrophobicContact CH2-CG 4.29Å; W263-W386 AromaticContact CH2-CH2 3.98Å; W263-W386 HydrophobicContact CH2-CH2 3.98Å; W263-W386 AromaticContact CH2-CZ2 3.67Å; W263-W386 HydrophobicContact CH2-CZ2 3.67Å; W263-W386 HydrophobicContact CH2-CZ3 4.15Å; W263-W386 AromaticContact CH2-NE1 3.93Å; W263-W386 HydrophobicContact CZ2-CD2 4.4Å; W263-W386 HydrophobicContact CZ3-CZ2 4.04Å; W263-L389 HydrophobicContact CZ2-CD1 4.04Å
264	Y	98.8	Very high	97.9	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	170.7	178.8	68.9	-86.7	0	0	0	109.4	Y219 D220 N234 P262 Y266 Q298 K299 W365 I369	Y219-Y264 HydrophobicContact CD2-CE1 4.35Å; Y219-Y264 WeakPolarHBondContact CD2-OH 3.26Å; Y219-Y264 HydrophobicContact CG-CE1 4.31Å; D220-Y264 WeakPolarHBondContact OD1-CE2 3.15Å; D220-Y264 PolarHBondContact OD1-OH 3.29Å; D220-Y264 PolarHBondContact OD2-OH 2.64Å; N234-Y264 WeakPolarHBondContact ND2-CE2 3.41Å; P262-Y264 HydrophobicContact CB-CD1 3.65Å; P262-Y264 HydrophobicContact CB-CE1 3.53Å; P262-Y264 HydrophobicContact CB-CG 4.24Å; Y264-Y266 HydrophobicContact CD2-CE2 4.38Å; Y264-Y266 HydrophobicContact CE2-CD2 4.41Å; Y264-Y266 AromaticContact CE2-CE2 3.75Å; Y264-Y266 HydrophobicContact CE2-CE2 3.75Å; Y264-Q298 HydrophobicContact CD2-CB 4.4Å; Y264-Q298 HydrophobicContact CD2-CG 3.43Å; Y264-Q298 VanDerWaalsContact CD2-CG 3.43Å; Y264-Q298 VanDerWaalsContact CD2-NE2 3.3Å; Y264-Q298 HydrophobicContact CE2-CG 3.93Å; Y264-Q298 HydrophobicContact CG-CG 3.97Å; Y264-K299 VanDerWaalsContact CA-O 3.25Å; Y264-K299 WeakPolarHBondContact CA-O 3.2Å; Y264-K299 WeakPolarHBondContact CB-O 3.47Å; Y264-W365 AromaticContact CD1-CD1 3.96Å; Y264-W365 WeakPolarHBondContact CD1-O 3.33Å; Y264-W365 HydrophobicContact CE1-CB 4.33Å; Y264-W365 AromaticContact CE1-CD1 3.55Å; Y264-W365 HydrophobicContact CE1-CG 4.32Å; Y264-I369 HydrophobicContact CD1-CD1 4.36Å
265	G	98.8	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	-173.2	173.8	0	0	0	0	0	110.9	Q298 K299 W340	G265-Q298 CarbonylContact O-C 3.5Å; G265-Q298 WeakPolarHBondContact O-CA 3.39Å; G265-K299 PolarHBondContact N-O 3.16Å; G265-K299 PolarHBondContact O-N 3.19Å; G265-W340 CarbonylContact C-O 3.52Å; G265-W340 WeakPolarHBondContact CA-O 3.03Å
266	Y	98.9	Very high	97.3	Very high	21 Å²	21	35.2 Å²	35.2	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135	176.9	-81.9	-97.3	0	0	0	111.3	D220 N234 Y264 Y268 D293 K297 Q298 V339 W340	D220-Y266 WeakPolarHBondContact OD1-CE2 3.32Å; D220-Y266 PolarHBondContact OD1-OH 2.87Å; N234-Y266 HydrophobicContact CB-CD2 4.3Å; N234-Y266 WeakPolarHBondContact OD1-CE2 3.25Å; Y264-Y266 HydrophobicContact CD2-CE2 4.38Å; Y264-Y266 HydrophobicContact CE2-CD2 4.41Å; Y264-Y266 AromaticContact CE2-CE2 3.75Å; Y264-Y266 HydrophobicContact CE2-CE2 3.75Å; Y266-Y268 HydrophobicContact CG-CE2 4.18Å; Y266-Y268 AromaticContact CG-CZ 3.96Å; Y266-D293 HydrophobicContact CD1-CB 4.4Å; Y266-D293 HydrophobicContact CE1-CB 4.06Å; Y266-D293 HydrophobicContact CE2-CB 4.43Å; Y266-K297 WeakPolarHBondContact CA-O 3.41Å; Y266-Q298 HydrophobicContact CE1-CB 4.35Å; Y266-V339 VanDerWaalsContact O-CA 3.25Å; Y266-V339 WeakPolarHBondContact O-CA 3.39Å; Y266-W340 PolarHBondContact N-O 2.74Å; Y266-W340 PolarHBondContact O-N 3.25Å
267	D	98.8	Very high	97.1	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108	169.9	171.6	18.3	0	0	0	109.1	G296 K297 K299 W303 Y329 H337 V339	D267-G296 CarbonylContact O-C 3.52Å; D267-G296 VanDerWaalsContact O-CA 3.32Å; D267-G296 WeakPolarHBondContact O-CA 3.14Å; D267-K297 PolarHBondContact N-O 3.4Å; D267-K297 PolarHBondContact O-N 3.04Å; D267-K299 HydrophobicContact CB-CD 4.35Å; D267-K299 HydrophobicContact CB-CG 3.65Å; D267-K299 WeakPolarHBondContact OD2-CE 3.46Å; D267-K299 IonicContact OD2-NZ 3.5Å; D267-W303 HydrophobicContact CB-CH2 4.26Å; D267-W303 HydrophobicContact CB-CZ3 4.35Å; D267-Y329 VanDerWaalsContact CG-OH 3.32Å; D267-Y329 WeakPolarHBondContact OD1-CE1 3.25Å; D267-Y329 PolarHBondContact OD1-OH 3.23Å; D267-Y329 PolarHBondContact OD2-OH 3.45Å; D267-H337 WeakPolarHBondContact OD1-CB 3.22Å; D267-H337 IonicContact OD1-CE1 2.75Å; D267-H337 IonicContact OD1-CG 2.86Å; D267-H337 IonicContact OD1-ND1 3.47Å; D267-H337 PolarHBondContact OD1-ND1 2.94Å; D267-H337 IonicContact OD2-ND1 3.84Å; D267-V339 HydrophobicContact CB-CG2 4.04Å
268	Y	98.8	Very high	97	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.6	-177.3	-68.2	-79.5	0	0	0	111.3	A231 Y266 C270 I281 D293 H337 Q338	A231-Y268 HydrophobicContact CB-CD1 4.4Å; A231-Y268 HydrophobicContact CB-CD2 3.46Å; A231-Y268 VanDerWaalsContact CB-CD2 3.46Å; A231-Y268 HydrophobicContact CB-CE2 4.12Å; A231-Y268 HydrophobicContact CB-CG 3.61Å; Y266-Y268 HydrophobicContact CG-CE2 4.18Å; Y266-Y268 AromaticContact CG-CZ 3.96Å; Y268-C270 PolarHBondContact O-N 2.98Å; Y268-I281 HydrophobicContact CD1-CD1 4.34Å; Y268-I281 HydrophobicContact CD1-CG2 3.84Å; Y268-I281 HydrophobicContact CE1-CD1 4.31Å; Y268-I281 HydrophobicContact CG-CG2 4Å; Y268-D293 WeakPolarHBondContact OH-CA 3.27Å; Y268-D293 VanDerWaalsContact OH-CB 3.31Å; Y268-D293 WeakPolarHBondContact OH-CB 3.31Å; Y268-H337 CarbonylContact O-C 3.57Å; Y268-H337 WeakPolarHBondContact O-CA 3.46Å; Y268-Q338 PolarHBondContact N-O 3.24Å; Y268-Q338 PolarHBondContact O-N 3.37Å
269	P	98.3	Very high	96.9	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.4	167.4	30	-32.1	0	0	0	110	V271 P282 A295	P269-V271 PolarHBondContact O-N 3.21Å; P269-P282 HydrophobicContact CG-CG 4.29Å; P269-P282 WeakPolarHBondContact O-CD 3.48Å; P269-A295 WeakPolarHBondContact CD-O 3.2Å
270	C	98.1	Very high	96.9	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.027	21%	0.212	C	C	.	.			trans	-84.8	108.5	178.8	-52.8	0	0	0	0	110.7	Y268 N272 L273 C279 Y280 Q335 S336	Y268-C270 PolarHBondContact O-N 2.98Å; C270-N272 PolarHBondContact O-N 2.83Å; C270-L273 HydrophobicContact CB-CB 4.42Å; C270-C279 WeakPolarHBondContact CA-SG 3.49Å; C270-C279 HydrophobicContact CB-CB 4.07Å; C270-C279 WeakPolarHBondContact CB-SG 3.08Å; C270-C279 WeakPolarHBondContact SG-CB 3.09Å; C270-C279 CovalentContact SG-SG 2.03Å; C270-C279 PolarHBondContact SG-SG 2.7Å; C270-Y280 CarbonylContact C-O 3.46Å; C270-Y280 WeakPolarHBondContact CA-O 3.25Å; C270-Q335 PolarHBondContact O-NE2 3.46Å; C270-S336 WeakPolarHBondContact CB-O 3.5Å; C270-S336 PolarHBondContact N-O 3.1Å
271	V	97.3	Very high	96.9	Very high	104 Å²	104	41.5 Å²	41.5	63%	0.63	21%	0.214	S	C	*	.	S	Bend	trans	-58	-39.4	169.2	178	0	0	0	0	110.3	P269 Y280 P282	P269-V271 PolarHBondContact O-N 3.21Å; V271-Y280 PolarHBondContact N-O 2.84Å; V271-P282 HydrophobicContact CG2-CB 4.42Å; V271-P282 HydrophobicContact CG2-CG 3.79Å
272	N	95.8	Very high	96.8	Very high	91 Å²	91	43.7 Å²	43.7	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.6	171.3	-176.7	-100.8	0	0	0	108.8	C270 Y280	C270-N272 PolarHBondContact O-N 2.83Å; N272-Y280 HydrophobicContact CB-CD2 4.19Å; N272-Y280 PolarHBondContact O-N 3.37Å
273	L	95.3	Very high	96.8	Very high	65 Å²	65	51.5 Å²	51.5	34%	0.34	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.7	170.7	-178.7	62.1	0	0	0	107.5	C270 I278 C279 Y328	C270-L273 HydrophobicContact CB-CB 4.42Å; L273-I278 WeakPolarHBondContact CA-O 3.32Å; L273-C279 HydrophobicContact CD1-CB 4.27Å; L273-Y328 HydrophobicContact CD1-CD1 4.03Å; L273-Y328 HydrophobicContact CD1-CE1 3.53Å; L273-Y328 HydrophobicContact CD2-CD1 4.22Å; L273-Y328 HydrophobicContact CD2-CE1 4.45Å
274	S	94.4	Very high	96.8	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.14	27%	0.271	C	S	.	.			trans	-69.5	165.7	179.2	91.1	0	0	0	0	111.3	E276 G277 I278	S274-E276 WeakPolarHBondContact CB-OE2 3.41Å; S274-E276 PolarHBondContact O-N 2.99Å; S274-E276 PolarHBondContact OG-N 2.7Å; S274-E276 PolarHBondContact OG-OE2 2.97Å; S274-G277 PolarHBondContact O-N 3.02Å; S274-G277 PolarHBondContact OG-N 3.46Å; S274-I278 PolarHBondContact N-O 3.43Å; S274-I278 WeakPolarHBondContact OG-CB 3.21Å; S274-I278 PolarHBondContact OG-N 3.06Å; S274-I278 VanDerWaalsContact OG-N 3.08Å
275	Q	90.8	Very high	96.7	Very high	194 Å²	194	57.3 Å²	57.3	91%	0.907	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27	176.5	-67.2	-176.6	-1.1	0	0	111.9	G277	Q275-G277 PolarHBondContact O-N 2.96Å
276	E	91.1	Very high	96.6	Very high	149 Å²	149	58.1 Å²	58.1	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	0.7	175.1	-51.7	75.7	-165.1	0	0	112.7	S274	S274-E276 WeakPolarHBondContact CB-OE2 3.41Å; S274-E276 PolarHBondContact O-N 2.99Å; S274-E276 PolarHBondContact OG-N 2.7Å; S274-E276 PolarHBondContact OG-OE2 2.97Å
277	G	92.3	Very high	96.3	Very high	16 Å²	16	59.9 Å²	59.9	17%	0.165	31%	0.309	C	S	.	.			trans	85.4	12.1	178.9	0	0	0	0	0	114.6	S274 Q275 C279 Y328	S274-G277 PolarHBondContact O-N 3.02Å; S274-G277 PolarHBondContact OG-N 3.46Å; Q275-G277 PolarHBondContact O-N 2.96Å; G277-C279 PolarHBondContact O-N 3.02Å; G277-Y328 WeakPolarHBondContact CA-OH 3.45Å; G277-Y328 PolarHBondContact O-OH 2.83Å
278	I	96.8	Very high	95.9	Very high	67 Å²	67	63.5 Å²	63.5	34%	0.344	35%	0.348	S	S	.	.			trans	-76.3	117.2	178.1	-58.3	175	0	0	0	109.2	I230 L273 S274 Y280	I230-I278 HydrophobicContact CB-CG2 4.13Å; I230-I278 HydrophobicContact CD1-CG2 4.4Å; I230-I278 HydrophobicContact CG2-CG2 3.48Å; I230-I278 VanDerWaalsContact CG2-CG2 3.48Å; L273-I278 WeakPolarHBondContact CA-O 3.32Å; S274-I278 PolarHBondContact N-O 3.43Å; S274-I278 WeakPolarHBondContact OG-CB 3.21Å; S274-I278 PolarHBondContact OG-N 3.06Å; S274-I278 VanDerWaalsContact OG-N 3.08Å; I278-Y280 HydrophobicContact CB-CE2 4.35Å; I278-Y280 HydrophobicContact CG2-CD2 4.28Å; I278-Y280 HydrophobicContact CG2-CE2 3.91Å
279	C	98.2	Very high	95.8	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.8	176.6	177.4	0	0	0	0	109.9	I230 A231 C270 L273 G277 Q338	I230-C279 CarbonylContact C-O 3.56Å; I230-C279 VanDerWaalsContact CA-O 3.24Å; I230-C279 WeakPolarHBondContact CA-O 3.44Å; A231-C279 HydrophobicContact CB-CB 4.09Å; A231-C279 PolarHBondContact N-O 2.91Å; C270-C279 WeakPolarHBondContact CA-SG 3.49Å; C270-C279 HydrophobicContact CB-CB 4.07Å; C270-C279 WeakPolarHBondContact CB-SG 3.08Å; C270-C279 WeakPolarHBondContact SG-CB 3.09Å; C270-C279 CovalentContact SG-SG 2.03Å; C270-C279 PolarHBondContact SG-SG 2.7Å; L273-C279 HydrophobicContact CD1-CB 4.27Å; G277-C279 PolarHBondContact O-N 3.02Å; C279-Q338 HydrophobicContact CB-CB 3.75Å; C279-Q338 HydrophobicContact CB-CG 4.39Å; C279-Q338 VanDerWaalsContact CB-OE1 3.29Å
280	Y	98.4	Very high	95.7	Very high	87 Å²	87	64.9 Å²	64.9	34%	0.341	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.7	171.1	-68.9	-85.6	0	0	0	110.2	C229 I230 C270 V271 N272 I278	C229-Y280 CarbonylContact O-C 3.59Å; C229-Y280 WeakPolarHBondContact O-CA 3.45Å; I230-Y280 HydrophobicContact CG2-CD1 3.68Å; I230-Y280 HydrophobicContact CG2-CE1 3.79Å; I230-Y280 HydrophobicContact CG2-CG 4.25Å; C270-Y280 CarbonylContact C-O 3.46Å; C270-Y280 WeakPolarHBondContact CA-O 3.25Å; V271-Y280 PolarHBondContact N-O 2.84Å; N272-Y280 HydrophobicContact CB-CD2 4.19Å; N272-Y280 PolarHBondContact O-N 3.37Å; I278-Y280 HydrophobicContact CB-CE2 4.35Å; I278-Y280 HydrophobicContact CG2-CD2 4.28Å; I278-Y280 HydrophobicContact CG2-CE2 3.91Å
281	I	98.4	Very high	95.7	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.031	36%	0.356	C	S	.	.			trans	-104.4	159.8	-174.3	56.7	169.7	0	0	0	112	I225 C229 A231 Y268 A295	I225-I281 HydrophobicContact CD1-CD1 3.96Å; C229-I281 VanDerWaalsContact C-CG1 3.45Å; C229-I281 HydrophobicContact CB-CG1 4.21Å; C229-I281 VanDerWaalsContact O-CG1 3.32Å; C229-I281 WeakPolarHBondContact O-CG1 3.35Å; C229-I281 PolarHBondContact O-N 3.31Å; A231-I281 HydrophobicContact CB-CG2 3.73Å; Y268-I281 HydrophobicContact CD1-CD1 4.34Å; Y268-I281 HydrophobicContact CD1-CG2 3.84Å; Y268-I281 HydrophobicContact CE1-CD1 4.31Å; Y268-I281 HydrophobicContact CG-CG2 4Å; I281-A295 HydrophobicContact CB-CB 4.14Å; I281-A295 HydrophobicContact CD1-CB 3.89Å; I281-A295 HydrophobicContact CG1-CB 4.33Å
282	P	97.8	Very high	95.7	Very high	47 Å²	47	59.8 Å²	59.8	31%	0.305	33%	0.326	S	S	.	.			trans	-55	142.4	171.8	-25.6	34.7	0	0	0	112.1	P269 V271 V284 A295	P269-P282 HydrophobicContact CG-CG 4.29Å; P269-P282 WeakPolarHBondContact O-CD 3.48Å; V271-P282 HydrophobicContact CG2-CB 4.42Å; V271-P282 HydrophobicContact CG2-CG 3.79Å; P282-V284 HydrophobicContact CB-CG2 4.46Å; P282-V284 PolarHBondContact O-N 2.88Å; P282-V284 VanDerWaalsContact O-N 3.12Å; P282-A295 HydrophobicContact CB-CB 4.47Å; P282-A295 WeakPolarHBondContact O-CB 3.26Å
283	K	97.6	Very high	95.8	Very high	164 Å²	164	56.2 Å²	56.2	71%	0.713	31%	0.307	S	S	*	.			trans	-76	102.7	176.3	-60.7	-167.7	177	-176.6	0	110.5
284	V	97.9	Very high	95.9	Very high	33 Å²	33	55 Å²	55	20%	0.2	31%	0.307	C	S	.	.			trans	-116.9	101.6	175.7	-176.4	0	0	0	0	108.5	M1 P282 C291 S292 A294 A295	M1-V284 HydrophobicContact CE-CG1 3.66Å; M1-V284 HydrophobicContact SD-CG1 4.32Å; P282-V284 HydrophobicContact CB-CG2 4.46Å; P282-V284 PolarHBondContact O-N 2.88Å; P282-V284 VanDerWaalsContact O-N 3.12Å; V284-C291 CarbonylContact O-C 3.25Å; V284-C291 VanDerWaalsContact O-C 3.25Å; V284-C291 VanDerWaalsContact O-CA 3.28Å; V284-C291 WeakPolarHBondContact O-CA 3.3Å; V284-S292 PolarHBondContact O-N 2.74Å; V284-S292 PolarHBondContact O-OG 3.38Å; V284-A294 HydrophobicContact CG1-CB 3.8Å; V284-A295 HydrophobicContact CB-CB 4.29Å; V284-A295 HydrophobicContact CG2-CB 3.86Å
285	P	97.1	Very high	96.1	Very high	90 Å²	90	54.7 Å²	54.7	58%	0.584	31%	0.305	S	S	*	.			trans	-74.6	143	-175	29.4	-34.7	0	0	0	111.7	A289 P290	P285-A289 WeakPolarHBondContact CA-O 3.34Å; P285-A289 WeakPolarHBondContact CB-O 3.34Å; P285-P290 WeakPolarHBondContact CA-O 2.98Å
286	F	96.2	Very high	96.4	Very high	18 Å²	18	46 Å²	46	8%	0.079	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-140.4	123.1	175.2	-176.9	-111.9	0	0	0	111.9	M1 D198 S223 Q224 G288 A289	M1-F286 HydrophobicContact CB-CD2 3.71Å; M1-F286 HydrophobicContact CB-CE2 3.55Å; M1-F286 VanDerWaalsContact O-CE2 3.26Å; M1-F286 WeakPolarHBondContact O-CE2 3.46Å; M1-F286 HydrophobicContact SD-CD2 4.18Å; D198-F286 HydrophobicContact CB-CE1 4.02Å; D198-F286 WeakPolarHBondContact OD1-CE1 3.21Å; S223-F286 WeakPolarHBondContact O-CD1 3.27Å; Q224-F286 HydrophobicContact CG-CD1 4.02Å; F286-G288 PolarHBondContact O-N 3.37Å; F286-A289 PolarHBondContact N-O 3.07Å; F286-A289 VanDerWaalsContact N-O 3.09Å; F286-A289 WeakPolarHBondContact O-CB 3.15Å; F286-A289 PolarHBondContact O-N 2.86Å
287	R	92.6	Very high	96.8	Very high	57 Å²	57	46 Å²	46	22%	0.215	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	35.3	173.5	-67.8	-171.7	173.2	166.4	2.7	114.7	E153 D198 K199 Q224	E153-R287 PolarHBondContact O-NH2 3.27Å; D198-R287 VanDerWaalsContact C-CD 3.47Å; D198-R287 VanDerWaalsContact CB-NH1 3.28Å; D198-R287 WeakPolarHBondContact O-CD 3.45Å; D198-R287 VanDerWaalsContact O-CZ 3.23Å; D198-R287 PolarHBondContact O-NE 2.9Å; D198-R287 PolarHBondContact O-NH1 3.16Å; K199-R287 HydrophobicContact CD-CB 4.41Å; K199-R287 HydrophobicContact CG-CB 4.31Å; Q224-R287 PolarHBondContact NE2-O 2.91Å
288	G	90.4	Very high	97.1	Very high	82 Å²	82	48.7 Å²	48.7	85%	0.845	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	-13.6	177.4	0	0	0	0	0	114.6	F286	F286-G288 PolarHBondContact O-N 3.37Å
289	A	96.4	Very high	97.2	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-79.6	142.1	170.4	0	0	0	0	0	110.6	Q224 P285 F286 C291	Q224-A289 HydrophobicContact CB-CB 3.77Å; Q224-A289 HydrophobicContact CG-CB 4.21Å; P285-A289 WeakPolarHBondContact CA-O 3.34Å; P285-A289 WeakPolarHBondContact CB-O 3.34Å; F286-A289 PolarHBondContact N-O 3.07Å; F286-A289 VanDerWaalsContact N-O 3.09Å; F286-A289 WeakPolarHBondContact O-CB 3.15Å; F286-A289 PolarHBondContact O-N 2.86Å; A289-C291 PolarHBondContact O-N 3.07Å
290	P	96.9	Very high	97.2	Very high	64 Å²	64	49.4 Å²	49.4	42%	0.416	28%	0.279	S	S	.	.	S	Bend	trans	-66.4	-28	178	26.8	-35.2	0	0	0	112.9	I225 P285	I225-P290 VanDerWaalsContact O-CD 3.23Å; I225-P290 WeakPolarHBondContact O-CD 3.49Å; I225-P290 WeakPolarHBondContact O-CG 3.33Å; P285-P290 WeakPolarHBondContact CA-O 2.98Å
291	C	97.7	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-139.3	161	-174.5	-70.7	0	0	0	0	111.4	I225 C229 V284 A289	I225-C291 HydrophobicContact CB-CB 3.92Å; I225-C291 HydrophobicContact CD1-CB 4.47Å; I225-C291 HydrophobicContact CG2-CB 4.28Å; I225-C291 PolarHBondContact N-O 2.99Å; I225-C291 PolarHBondContact O-N 3.46Å; C229-C291 HydrophobicContact CB-CB 3.75Å; C229-C291 WeakPolarHBondContact CB-SG 3.43Å; C229-C291 WeakPolarHBondContact SG-CB 3.48Å; C229-C291 CovalentContact SG-SG 2Å; C229-C291 PolarHBondContact SG-SG 3.07Å; V284-C291 CarbonylContact O-C 3.25Å; V284-C291 VanDerWaalsContact O-C 3.25Å; V284-C291 VanDerWaalsContact O-CA 3.28Å; V284-C291 WeakPolarHBondContact O-CA 3.3Å; A289-C291 PolarHBondContact O-N 3.07Å
292	S	98.2	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.			trans	-159.2	163.8	-178	56.6	0	0	0	0	111.1	Q222 S223 V284 A294 A295	Q222-S292 CarbonylContact O-C 3.58Å; Q222-S292 WeakPolarHBondContact O-CA 3.48Å; S223-S292 WeakPolarHBondContact O-CB 3.41Å; V284-S292 PolarHBondContact O-N 2.74Å; V284-S292 PolarHBondContact O-OG 3.38Å; S292-A294 PolarHBondContact O-N 3.46Å; S292-A294 VanDerWaalsContact O-N 3.14Å; S292-A294 WeakPolarHBondContact OG-CB 3.13Å; S292-A295 WeakPolarHBondContact O-CB 3.33Å; S292-A295 PolarHBondContact O-N 2.68Å; S292-A295 VanDerWaalsContact O-N 3.14Å
293	D	97.4	Very high	97.2	Very high	16 Å²	16	50 Å²	50	9%	0.086	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53.8	-21	168.6	55.4	11.6	0	0	0	114.6	D220 Q222 S223 Y266 Y268 A295 G296	D220-D293 WeakPolarHBondContact CB-OD2 3.36Å; Q222-D293 HydrophobicContact CB-CB 4.19Å; Q222-D293 PolarHBondContact O-N 3.33Å; S223-D293 PolarHBondContact N-OD2 3.15Å; Y266-D293 HydrophobicContact CD1-CB 4.4Å; Y266-D293 HydrophobicContact CE1-CB 4.06Å; Y266-D293 HydrophobicContact CE2-CB 4.43Å; Y268-D293 WeakPolarHBondContact OH-CA 3.27Å; Y268-D293 VanDerWaalsContact OH-CB 3.31Å; Y268-D293 WeakPolarHBondContact OH-CB 3.31Å; D293-A295 PolarHBondContact O-N 2.68Å; D293-G296 WeakPolarHBondContact O-CA 3.39Å; D293-G296 PolarHBondContact O-N 3.43Å
294	A	97.7	Very high	97.2	Very high	40 Å²	40	42.1 Å²	42.1	33%	0.331	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.1	-9.9	173.9	0	0	0	0	0	114	M1 V284 S292 G296	M1-A294 HydrophobicContact CE-CB 3.74Å; M1-A294 HydrophobicContact SD-CB 3.84Å; V284-A294 HydrophobicContact CG1-CB 3.8Å; S292-A294 PolarHBondContact O-N 3.46Å; S292-A294 VanDerWaalsContact O-N 3.14Å; S292-A294 WeakPolarHBondContact OG-CB 3.13Å; A294-G296 VanDerWaalsContact C-N 3.27Å
295	A	98.1	Very high	97.2	Very high	13 Å²	13	41.1 Å²	41.1	11%	0.107	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-70.8	-22.6	166.8	0	0	0	0	0	113.3	P269 I281 P282 V284 S292 D293	P269-A295 WeakPolarHBondContact CD-O 3.2Å; I281-A295 HydrophobicContact CB-CB 4.14Å; I281-A295 HydrophobicContact CD1-CB 3.89Å; I281-A295 HydrophobicContact CG1-CB 4.33Å; P282-A295 HydrophobicContact CB-CB 4.47Å; P282-A295 WeakPolarHBondContact O-CB 3.26Å; V284-A295 HydrophobicContact CB-CB 4.29Å; V284-A295 HydrophobicContact CG2-CB 3.86Å; S292-A295 WeakPolarHBondContact O-CB 3.33Å; S292-A295 PolarHBondContact O-N 2.68Å; S292-A295 VanDerWaalsContact O-N 3.14Å; D293-A295 PolarHBondContact O-N 2.68Å
296	G	98	Very high	97.2	Very high	12 Å²	12	42.6 Å²	42.6	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	-100.2	-177.7	176.4	0	0	0	0	0	112.9	D267 D293 A294	D267-G296 CarbonylContact O-C 3.52Å; D267-G296 VanDerWaalsContact O-CA 3.32Å; D267-G296 WeakPolarHBondContact O-CA 3.14Å; D293-G296 WeakPolarHBondContact O-CA 3.39Å; D293-G296 PolarHBondContact O-N 3.43Å; A294-G296 VanDerWaalsContact C-N 3.27Å
297	K	98.4	Very high	97.3	Very high	149 Å²	149	43.4 Å²	43.4	65%	0.648	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123	128.2	173.4	-67.2	178.3	-177.7	172.1	0	109.6	Y266 D267 K299	Y266-K297 WeakPolarHBondContact CA-O 3.41Å; D267-K297 PolarHBondContact N-O 3.4Å; D267-K297 PolarHBondContact O-N 3.04Å; K297-K299 PolarHBondContact O-N 3.41Å
298	Q	98.3	Very high	97.5	Very high	73 Å²	73	41.8 Å²	41.8	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	135.1	170.6	174.3	170.8	12.2	0	0	110.9	Y264 G265 Y266	Y264-Q298 HydrophobicContact CD2-CB 4.4Å; Y264-Q298 HydrophobicContact CD2-CG 3.43Å; Y264-Q298 VanDerWaalsContact CD2-CG 3.43Å; Y264-Q298 VanDerWaalsContact CD2-NE2 3.3Å; Y264-Q298 HydrophobicContact CE2-CG 3.93Å; Y264-Q298 HydrophobicContact CG-CG 3.97Å; G265-Q298 CarbonylContact O-C 3.5Å; G265-Q298 WeakPolarHBondContact O-CA 3.39Å; Y266-Q298 HydrophobicContact CE1-CB 4.35Å
299	K	98.7	Very high	97.7	Very high	45 Å²	45	43.7 Å²	43.7	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.5	177.6	-60.3	-66.5	-173.9	153.9	0	110.5	Y264 G265 D267 K297 W303 I304	Y264-K299 VanDerWaalsContact CA-O 3.25Å; Y264-K299 WeakPolarHBondContact CA-O 3.2Å; Y264-K299 WeakPolarHBondContact CB-O 3.47Å; G265-K299 PolarHBondContact N-O 3.16Å; G265-K299 PolarHBondContact O-N 3.19Å; D267-K299 HydrophobicContact CB-CD 4.35Å; D267-K299 HydrophobicContact CB-CG 3.65Å; D267-K299 WeakPolarHBondContact OD2-CE 3.46Å; D267-K299 IonicContact OD2-NZ 3.5Å; K297-K299 PolarHBondContact O-N 3.41Å; K299-W303 HydrophobicContact CB-CD2 4.04Å; K299-W303 HydrophobicContact CB-CE3 3.44Å; K299-W303 VanDerWaalsContact CB-CE3 3.44Å; K299-W303 HydrophobicContact CB-CZ3 3.94Å; K299-W303 HydrophobicContact CD-CD2 3.67Å; K299-W303 HydrophobicContact CD-CE3 3.71Å; K299-W303 HydrophobicContact CD-CG 4.21Å; K299-W303 HydrophobicContact CD-CH2 4.13Å; K299-W303 HydrophobicContact CD-CZ2 4.13Å; K299-W303 HydrophobicContact CD-CZ3 3.94Å; K299-W303 HydrophobicContact CG-CD2 3.98Å; K299-W303 HydrophobicContact CG-CE3 3.46Å; K299-W303 VanDerWaalsContact CG-CE3 3.46Å; K299-W303 HydrophobicContact CG-CH2 4.11Å; K299-W303 HydrophobicContact CG-CZ3 3.54Å; K299-I304 HydrophobicContact CB-CD1 4.23Å; K299-I304 HydrophobicContact CB-CG1 3.89Å; K299-I304 VanDerWaalsContact O-CD1 3.27Å; K299-I304 WeakPolarHBondContact O-CD1 3.47Å
300	S	98.6	Very high	97.5	Very high	38 Å²	38	44.8 Å²	44.8	27%	0.266	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	150	174.3	55.3	0	0	0	0	111.8	K302 W303 I304	S300-K302 PolarHBondContact O-N 3.2Å; S300-W303 WeakPolarHBondContact O-CA 3.41Å; S300-W303 WeakPolarHBondContact O-CB 3.25Å; S300-W303 PolarHBondContact O-N 2.89Å; S300-W303 WeakPolarHBondContact OG-CB 3.42Å; S300-W303 PolarHBondContact OG-N 3.45Å; S300-I304 VanDerWaalsContact O-CG1 3.31Å; S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.45Å
301	Y	98.4	Very high	97.4	Very high	11 Å²	11	48.4 Å²	48.4	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-52.9	-39.5	172.5	-170.1	-98.2	0	0	0	112	W263 W303 I304 M305 Y341 D342 D343 L370 Q381 M385	W263-Y301 VanDerWaalsContact O-CB 3.23Å; W263-Y301 WeakPolarHBondContact O-CB 3.25Å; W263-Y301 PolarHBondContact O-N 2.91Å; Y301-W303 VanDerWaalsContact C-N 3.34Å; Y301-W303 PolarHBondContact O-N 3.27Å; Y301-I304 PolarHBondContact O-N 3.37Å; Y301-M305 HydrophobicContact CD1-CG 3.79Å; Y301-M305 HydrophobicContact CD2-CE 4.35Å; Y301-M305 HydrophobicContact CE1-CE 4.39Å; Y301-M305 HydrophobicContact CE1-CG 3.43Å; Y301-M305 VanDerWaalsContact CE1-CG 3.43Å; Y301-M305 HydrophobicContact CE1-SD 3.96Å; Y301-M305 HydrophobicContact CE2-CE 3.75Å; Y301-M305 HydrophobicContact CE2-CG 4.41Å; Y301-M305 HydrophobicContact CE2-SD 4.31Å; Y301-M305 HydrophobicContact CG-CG 4.42Å; Y301-M305 WeakPolarHBondContact O-CG 3.32Å; Y301-M305 PolarHBondContact O-N 2.9Å; Y301-Y341 HydrophobicContact CD2-CD2 4.36Å; Y301-Y341 HydrophobicContact CE2-CD2 4.09Å; Y301-Y341 HydrophobicContact CE2-CE2 4.24Å; Y301-D342 WeakPolarHBondContact CD2-O 3.23Å; Y301-D342 VanDerWaalsContact CE2-O 3.31Å; Y301-D342 WeakPolarHBondContact CE2-O 3.12Å; Y301-D343 HydrophobicContact CE2-CB 4.1Å; Y301-L370 HydrophobicContact CD1-CD2 3.85Å; Y301-L370 HydrophobicContact CG-CD2 4.07Å; Y301-Q381 HydrophobicContact CE1-CB 4.34Å; Y301-M385 HydrophobicContact CD1-CG 4.14Å; Y301-M385 HydrophobicContact CD2-CE 3.94Å; Y301-M385 HydrophobicContact CD2-SD 4.16Å; Y301-M385 HydrophobicContact CE1-CG 3.71Å; Y301-M385 HydrophobicContact CE1-SD 4.02Å; Y301-M385 HydrophobicContact CE2-CE 4.01Å; Y301-M385 HydrophobicContact CE2-CG 4.41Å; Y301-M385 HydrophobicContact CE2-SD 3.64Å; Y301-M385 HydrophobicContact CG-CE 4.28Å; Y301-M385 VanDerWaalsContact CZ-SD 3.55Å
302	K	97.9	Very high	97.2	Very high	72 Å²	72	52 Å²	52	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-53.7	-45.9	171.7	172.6	167.9	-175.7	146	0	113.3	S300 K306 I369 D371	S300-K302 PolarHBondContact O-N 3.2Å; K302-K306 WeakPolarHBondContact O-CG 3.39Å; K302-K306 PolarHBondContact O-N 3.33Å; K302-I369 WeakPolarHBondContact CB-O 3.33Å; K302-I369 PolarHBondContact N-O 2.7Å; K302-D371 HydrophobicContact CB-CB 4.07Å; K302-D371 HydrophobicContact CD-CB 3.81Å; K302-D371 VanDerWaalsContact CE-CG 3.43Å; K302-D371 WeakPolarHBondContact CE-OD2 3.42Å; K302-D371 HydrophobicContact CG-CB 3.77Å; K302-D371 VanDerWaalsContact NZ-CG 3.25Å; K302-D371 IonicContact NZ-OD1 2.78Å; K302-D371 PolarHBondContact NZ-OD1 3.32Å; K302-D371 IonicContact NZ-OD2 3.14Å; K302-D371 PolarHBondContact NZ-OD2 3.2Å
303	W	98.3	Very high	97.1	Very high	68 Å²	68	53 Å²	53	26%	0.258	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-43.2	178	179.6	93.2	0	0	0	110.9	D267 K299 S300 Y301 M305 K306 Q307 Y329 V339	D267-W303 HydrophobicContact CB-CH2 4.26Å; D267-W303 HydrophobicContact CB-CZ3 4.35Å; K299-W303 HydrophobicContact CB-CD2 4.04Å; K299-W303 HydrophobicContact CB-CE3 3.44Å; K299-W303 VanDerWaalsContact CB-CE3 3.44Å; K299-W303 HydrophobicContact CB-CZ3 3.94Å; K299-W303 HydrophobicContact CD-CD2 3.67Å; K299-W303 HydrophobicContact CD-CE3 3.71Å; K299-W303 HydrophobicContact CD-CG 4.21Å; K299-W303 HydrophobicContact CD-CH2 4.13Å; K299-W303 HydrophobicContact CD-CZ2 4.13Å; K299-W303 HydrophobicContact CD-CZ3 3.94Å; K299-W303 HydrophobicContact CG-CD2 3.98Å; K299-W303 HydrophobicContact CG-CE3 3.46Å; K299-W303 VanDerWaalsContact CG-CE3 3.46Å; K299-W303 HydrophobicContact CG-CH2 4.11Å; K299-W303 HydrophobicContact CG-CZ3 3.54Å; S300-W303 WeakPolarHBondContact O-CA 3.41Å; S300-W303 WeakPolarHBondContact O-CB 3.25Å; S300-W303 PolarHBondContact O-N 2.89Å; S300-W303 WeakPolarHBondContact OG-CB 3.42Å; S300-W303 PolarHBondContact OG-N 3.45Å; Y301-W303 VanDerWaalsContact C-N 3.34Å; Y301-W303 PolarHBondContact O-N 3.27Å; W303-M305 PolarHBondContact O-N 3.12Å; W303-K306 PolarHBondContact O-N 2.66Å; W303-K306 VanDerWaalsContact O-N 3.15Å; W303-Q307 HydrophobicContact CD2-CB 4.26Å; W303-Q307 HydrophobicContact CE3-CB 4.01Å; W303-Q307 HydrophobicContact CH2-CB 3.85Å; W303-Q307 HydrophobicContact CH2-CG 3.58Å; W303-Q307 HydrophobicContact CZ2-CB 4.06Å; W303-Q307 HydrophobicContact CZ2-CG 3.92Å; W303-Q307 HydrophobicContact CZ3-CB 3.8Å; W303-Q307 HydrophobicContact CZ3-CG 3.94Å; W303-Q307 WeakPolarHBondContact O-CB 3.49Å; W303-Q307 PolarHBondContact O-N 2.73Å; W303-Y329 HydrophobicContact CH2-CE1 4.08Å; W303-V339 HydrophobicContact CH2-CG2 4.44Å; W303-V339 HydrophobicContact CZ3-CG1 4.43Å; W303-V339 HydrophobicContact CZ3-CG2 4.2Å
304	I	98.7	Very high	97	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-48.4	-178.2	-66.6	163.8	0	0	0	110.1	K299 S300 Y301 K306 Q307 L308 F327 V339 Y341	K299-I304 HydrophobicContact CB-CD1 4.23Å; K299-I304 HydrophobicContact CB-CG1 3.89Å; K299-I304 VanDerWaalsContact O-CD1 3.27Å; K299-I304 WeakPolarHBondContact O-CD1 3.47Å; S300-I304 VanDerWaalsContact O-CG1 3.31Å; S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.45Å; Y301-I304 PolarHBondContact O-N 3.37Å; I304-K306 VanDerWaalsContact C-N 3.29Å; I304-K306 PolarHBondContact O-N 2.76Å; I304-Q307 PolarHBondContact O-N 3.32Å; I304-L308 VanDerWaalsContact O-CB 3.27Å; I304-L308 WeakPolarHBondContact O-CB 3.18Å; I304-L308 PolarHBondContact O-N 2.62Å; I304-F327 HydrophobicContact CG2-CE1 3.84Å; I304-V339 HydrophobicContact CG1-CG1 4.2Å; I304-V339 HydrophobicContact CG2-CG1 4.4Å; I304-Y341 HydrophobicContact CD1-CG 4.35Å; I304-Y341 HydrophobicContact CG2-CD1 3.71Å; I304-Y341 HydrophobicContact CG2-CD2 3.73Å; I304-Y341 HydrophobicContact CG2-CE1 4.02Å; I304-Y341 HydrophobicContact CG2-CE2 4.02Å; I304-Y341 HydrophobicContact CG2-CG 3.57Å
305	M	98	Very high	97	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.059	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-35.2	178.5	-68.2	-59.1	102.6	0	0	112.6	Y301 W303 L308 N309 Y341	Y301-M305 HydrophobicContact CD1-CG 3.79Å; Y301-M305 HydrophobicContact CD2-CE 4.35Å; Y301-M305 HydrophobicContact CE1-CE 4.39Å; Y301-M305 HydrophobicContact CE1-CG 3.43Å; Y301-M305 VanDerWaalsContact CE1-CG 3.43Å; Y301-M305 HydrophobicContact CE1-SD 3.96Å; Y301-M305 HydrophobicContact CE2-CE 3.75Å; Y301-M305 HydrophobicContact CE2-CG 4.41Å; Y301-M305 HydrophobicContact CE2-SD 4.31Å; Y301-M305 HydrophobicContact CG-CG 4.42Å; Y301-M305 WeakPolarHBondContact O-CG 3.32Å; Y301-M305 PolarHBondContact O-N 2.9Å; W303-M305 PolarHBondContact O-N 3.12Å; M305-L308 HydrophobicContact CE-CD2 4.18Å; M305-L308 HydrophobicContact SD-CD2 4.5Å; M305-N309 PolarHBondContact O-ND2 3.05Å; M305-N309 VanDerWaalsContact O-ND2 3.08Å; M305-Y341 HydrophobicContact CE-CD2 4.02Å; M305-Y341 HydrophobicContact CE-CE2 3.3Å
306	K	96.8	Very high	97	Very high	120 Å²	120	58.1 Å²	58.1	52%	0.522	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-44.3	174.2	-71.1	-178.1	-178.4	-164.8	0	112	K302 W303 I304 L308 N309 D371	K302-K306 WeakPolarHBondContact O-CG 3.39Å; K302-K306 PolarHBondContact O-N 3.33Å; W303-K306 PolarHBondContact O-N 2.66Å; W303-K306 VanDerWaalsContact O-N 3.15Å; I304-K306 VanDerWaalsContact C-N 3.29Å; I304-K306 PolarHBondContact O-N 2.76Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-N309 PolarHBondContact O-N 3.43Å; K306-D371 WeakPolarHBondContact CE-OD2 3.49Å; K306-D371 IonicContact NZ-OD2 2.97Å
307	Q	97.9	Very high	97	Very high	36 Å²	36	60.3 Å²	60.3	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-38.8	-179.8	-172.8	62.6	28.8	0	0	111.7	W303 I304 N309 S310 F327 Y329	W303-Q307 HydrophobicContact CD2-CB 4.26Å; W303-Q307 HydrophobicContact CE3-CB 4.01Å; W303-Q307 HydrophobicContact CH2-CB 3.85Å; W303-Q307 HydrophobicContact CH2-CG 3.58Å; W303-Q307 HydrophobicContact CZ2-CB 4.06Å; W303-Q307 HydrophobicContact CZ2-CG 3.92Å; W303-Q307 HydrophobicContact CZ3-CB 3.8Å; W303-Q307 HydrophobicContact CZ3-CG 3.94Å; W303-Q307 WeakPolarHBondContact O-CB 3.49Å; W303-Q307 PolarHBondContact O-N 2.73Å; I304-Q307 PolarHBondContact O-N 3.32Å; Q307-N309 PolarHBondContact O-N 3.49Å; Q307-S310 PolarHBondContact NE2-OG 2.95Å; Q307-S310 WeakPolarHBondContact O-CB 3.23Å; Q307-S310 PolarHBondContact O-N 3.25Å; Q307-S310 PolarHBondContact O-OG 3.11Å; Q307-F327 HydrophobicContact CB-CE2 4.28Å; Q307-F327 HydrophobicContact CB-CZ 3.97Å; Q307-F327 HydrophobicContact CG-CE2 3.72Å; Q307-F327 HydrophobicContact CG-CZ 3.87Å; Q307-Y329 HydrophobicContact CG-CD1 4.07Å; Q307-Y329 HydrophobicContact CG-CE1 4.18Å; Q307-Y329 HydrophobicContact CG-CG 4.28Å; Q307-Y329 VanDerWaalsContact NE2-CG 3.34Å
308	L	96.9	Very high	97	Very high	23 Å²	23	56 Å²	56	12%	0.12	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-33.9	176.8	-177.9	63.9	0	0	0	112.4	I304 M305 K306 S310 S313 R316 F327	I304-L308 VanDerWaalsContact O-CB 3.27Å; I304-L308 WeakPolarHBondContact O-CB 3.18Å; I304-L308 PolarHBondContact O-N 2.62Å; M305-L308 HydrophobicContact CE-CD2 4.18Å; M305-L308 HydrophobicContact SD-CD2 4.5Å; K306-L308 VanDerWaalsContact C-N 3.34Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S313 WeakPolarHBondContact O-CB 3.16Å; L308-S313 PolarHBondContact O-OG 2.8Å; L308-R316 HydrophobicContact CD1-CB 4.15Å; L308-R316 HydrophobicContact CD2-CB 4.25Å; L308-F327 HydrophobicContact CB-CD1 4.48Å; L308-F327 HydrophobicContact CB-CE1 4.22Å; L308-F327 HydrophobicContact CB-CZ 4.4Å; L308-F327 HydrophobicContact CD1-CB 3.81Å; L308-F327 HydrophobicContact CD1-CD1 3.63Å; L308-F327 HydrophobicContact CD1-CD2 4.27Å; L308-F327 HydrophobicContact CD1-CE1 4.21Å; L308-F327 HydrophobicContact CD1-CG 3.65Å
309	N	93.4	Very high	97	Very high	121 Å²	121	54.3 Å²	54.3	65%	0.647	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.2	178.4	-68.6	-31.4	0	0	0	113.8	M305 K306 Q307	M305-N309 PolarHBondContact O-ND2 3.05Å; M305-N309 VanDerWaalsContact O-ND2 3.08Å; K306-N309 PolarHBondContact O-N 3.43Å; Q307-N309 PolarHBondContact O-N 3.49Å
310	S	93.9	Very high	97	Very high	28 Å²	28	57.3 Å²	57.3	20%	0.196	31%	0.307	C	S	.	.	S	Bend	trans	-73.2	152.5	179.2	72.2	0	0	0	0	111.9	Q307 L308 T312 S313	Q307-S310 PolarHBondContact NE2-OG 2.95Å; Q307-S310 WeakPolarHBondContact O-CB 3.23Å; Q307-S310 PolarHBondContact O-N 3.25Å; Q307-S310 PolarHBondContact O-OG 3.11Å; L308-S310 VanDerWaalsContact C-N 3.32Å; S310-T312 PolarHBondContact O-N 3.32Å; S310-T312 VanDerWaalsContact O-N 3.16Å; S310-S313 WeakPolarHBondContact O-CB 3.07Å; S310-S313 PolarHBondContact O-N 3.29Å; S310-S313 VanDerWaalsContact O-N 3.1Å
311	P	93.9	Very high	96.9	Very high	139 Å²	139	62.9 Å²	62.9	90%	0.903	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	-179.7	-23.4	34.2	0	0	0	115.1
312	T	93.9	Very high	96.8	Very high	76 Å²	76	63.9 Å²	63.9	47%	0.466	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.2	179.1	63.7	0	0	0	0	112.9	S310 Y329 K330	S310-T312 PolarHBondContact O-N 3.32Å; S310-T312 VanDerWaalsContact O-N 3.16Å; T312-Y329 VanDerWaalsContact O-CA 3.31Å; T312-Y329 WeakPolarHBondContact O-CA 3.44Å; T312-K330 WeakPolarHBondContact CB-O 3.22Å; T312-K330 PolarHBondContact OG1-O 3.45Å; T312-K330 VanDerWaalsContact OG1-O 3.05Å
313	S	95.2	Very high	96.8	Very high	22 Å²	22	64 Å²	64	15%	0.154	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-73.4	144	177.8	179.3	0	0	0	0	111.6	L308 S310 G315 Y328	L308-S313 WeakPolarHBondContact O-CB 3.16Å; L308-S313 PolarHBondContact O-OG 2.8Å; S310-S313 WeakPolarHBondContact O-CB 3.07Å; S310-S313 PolarHBondContact O-N 3.29Å; S310-S313 VanDerWaalsContact O-N 3.1Å; S313-G315 PolarHBondContact O-N 3.04Å; S313-G315 PolarHBondContact OG-N 3.43Å; S313-Y328 CarbonylContact C-O 3.57Å; S313-Y328 WeakPolarHBondContact CA-O 3.26Å
314	S	96.8	Very high	96.8	Very high	58 Å²	58	60.8 Å²	60.8	41%	0.406	32%	0.322	S	S	.	.			trans	-70.7	-6.5	167.5	63.1	0	0	0	0	113.4	Y328	S314-Y328 PolarHBondContact N-O 3.25Å; S314-Y328 PolarHBondContact OG-N 2.99Å; S314-Y328 PolarHBondContact OG-O 3.04Å
315	G	97.5	Very high	96.8	Very high	28 Å²	28	60.8 Å²	60.8	29%	0.289	32%	0.322	S	S	.	.			trans	72.6	176.9	-161.8	0	0	0	0	0	111.7	S313 L317 F327	S313-G315 PolarHBondContact O-N 3.04Å; S313-G315 PolarHBondContact OG-N 3.43Å; G315-L317 PolarHBondContact O-N 2.82Å; G315-F327 WeakPolarHBondContact O-CB 3.39Å
316	R	97.9	Very high	96.9	Very high	90 Å²	90	62.1 Å²	62.1	34%	0.34	33%	0.327	S	S	.	.			trans	-71.6	125.5	-174.9	-176.2	178.9	179.5	-79.2	7	110.2	L308 P325 D343	L308-R316 HydrophobicContact CD1-CB 4.15Å; L308-R316 HydrophobicContact CD2-CB 4.25Å; R316-P325 HydrophobicContact CG-CB 4.36Å; R316-D343 IonicContact CZ-OD2 3.32Å; R316-D343 IonicContact NE-OD2 3.6Å; R316-D343 PolarHBondContact NE-OD2 3.43Å; R316-D343 IonicContact NH2-OD1 3.7Å; R316-D343 PolarHBondContact NH2-OD1 2.92Å; R316-D343 IonicContact NH2-OD2 3.97Å; R316-D343 PolarHBondContact NH2-OD2 3.1Å
317	L	98.4	Very high	97	Very high	58 Å²	58	56.4 Å²	56.4	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	162.2	169.9	-57.3	173.7	0	0	0	109.3	G315 P325 Y326 Y328	G315-L317 PolarHBondContact O-N 2.82Å; L317-P325 WeakPolarHBondContact O-CA 3.48Å; L317-Y326 WeakPolarHBondContact CA-O 3.29Å; L317-Y326 HydrophobicContact CB-CD1 4.12Å; L317-Y326 HydrophobicContact CB-CD2 4.13Å; L317-Y326 HydrophobicContact CB-CE1 3.77Å; L317-Y326 HydrophobicContact CB-CE2 3.79Å; L317-Y326 HydrophobicContact CB-CG 4.29Å; L317-Y326 WeakPolarHBondContact CB-O 3.24Å; L317-Y326 HydrophobicContact CD1-CD2 4.18Å; L317-Y326 HydrophobicContact CD1-CE2 3.54Å; L317-Y326 HydrophobicContact CG-CE2 4.32Å; L317-Y326 PolarHBondContact N-O 3.4Å; L317-Y326 PolarHBondContact O-N 2.92Å; L317-Y328 HydrophobicContact CD1-CD2 3.71Å; L317-Y328 HydrophobicContact CD1-CE2 3.46Å; L317-Y328 VanDerWaalsContact CD1-CE2 3.46Å
318	W	98.4	Very high	97	Very high	59 Å²	59	56.4 Å²	56.4	22%	0.223	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.6	-178.6	177.5	-100	0	0	0	109.8	D320 K323 P325 Q345	W318-D320 PolarHBondContact NE1-OD1 3.34Å; W318-K323 HydrophobicContact CH2-CB 4.19Å; W318-K323 WeakPolarHBondContact CH2-O 3.48Å; W318-K323 VanDerWaalsContact CZ2-C 3.49Å; W318-K323 VanDerWaalsContact CZ2-CA 3.45Å; W318-K323 HydrophobicContact CZ2-CB 3.83Å; W318-K323 HydrophobicContact CZ2-CD 3.88Å; W318-P325 HydrophobicContact CE3-CB 4.33Å; W318-Q345 HydrophobicContact CH2-CG 4.01Å; W318-Q345 HydrophobicContact CZ3-CB 4.3Å; W318-Q345 HydrophobicContact CZ3-CG 4.09Å
319	D	98.3	Very high	97	Very high	36 Å²	36	56.2 Å²	56.2	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.2	171.9	-173.2	-75.3	0	0	0	109.7	E321 Q322 K323 A324 Y326 W340	D319-E321 WeakPolarHBondContact OD1-CA 3.33Å; D319-E321 WeakPolarHBondContact OD1-CB 3.04Å; D319-E321 PolarHBondContact OD1-N 2.9Å; D319-Q322 HydrophobicContact CB-CB 4.42Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.25Å; D319-Q322 PolarHBondContact OD1-N 2.81Å; D319-K323 WeakPolarHBondContact O-CA 3.17Å; D319-K323 PolarHBondContact O-N 3.1Å; D319-A324 PolarHBondContact N-O 2.78Å; D319-A324 PolarHBondContact O-N 3.16Å; D319-Y326 HydrophobicContact CB-CD1 4.15Å; D319-Y326 HydrophobicContact CB-CE1 3.93Å; D319-W340 HydrophobicContact CB-CH2 3.54Å; D319-W340 HydrophobicContact CB-CZ3 3.62Å
320	D	97.4	Very high	97.2	Very high	108 Å²	108	56.1 Å²	56.1	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.5	-176.1	-98.5	-37.9	0	0	0	114.3	W318 K323	W318-D320 PolarHBondContact NE1-OD1 3.34Å; D320-K323 VanDerWaalsContact O-CD 3.23Å; D320-K323 WeakPolarHBondContact O-CD 3.42Å; D320-K323 WeakPolarHBondContact O-CE 3.15Å; D320-K323 PolarHBondContact O-NZ 2.84Å; D320-K323 IonicContact OD1-NZ 3.28Å; D320-K323 PolarHBondContact OD1-NZ 3.28Å
321	E	95.9	Very high	97.3	Very high	155 Å²	155	57.2 Å²	57.2	72%	0.724	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-47.7	178.6	-177.1	174	178.2	0	0	110.7	N238 D319 K323	N238-E321 PolarHBondContact ND2-O 2.99Å; N238-E321 VanDerWaalsContact ND2-O 3.16Å; D319-E321 WeakPolarHBondContact OD1-CA 3.33Å; D319-E321 WeakPolarHBondContact OD1-CB 3.04Å; D319-E321 PolarHBondContact OD1-N 2.9Å; E321-K323 VanDerWaalsContact C-N 3.33Å
322	Q	97.5	Very high	97.3	Very high	33 Å²	33	60.5 Å²	60.5	15%	0.154	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.3	178.1	-62.2	-175.4	72.1	0	0	112.2	A233 P236 F237 D319 A324 W340	A233-Q322 HydrophobicContact CB-CB 4.13Å; A233-Q322 VanDerWaalsContact CB-OE1 3.25Å; P236-Q322 HydrophobicContact CB-CB 4.15Å; P236-Q322 HydrophobicContact CB-CG 4.33Å; F237-Q322 PolarHBondContact N-O 3.45Å; D319-Q322 HydrophobicContact CB-CB 4.42Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.25Å; D319-Q322 PolarHBondContact OD1-N 2.81Å; Q322-A324 VanDerWaalsContact C-N 3.29Å; Q322-A324 HydrophobicContact CB-CB 4.44Å; Q322-A324 PolarHBondContact O-N 2.75Å; Q322-W340 VanDerWaalsContact NE2-CH2 3.31Å
323	K	98.3	Very high	97.4	Very high	75 Å²	75	62.5 Å²	62.5	33%	0.326	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.3	-175	-58	-62.2	-171.5	-152.5	0	111.7	F237 W318 D319 D320 E321 S346	F237-K323 HydrophobicContact CB-CB 3.64Å; F237-K323 HydrophobicContact CB-CG 4.12Å; F237-K323 HydrophobicContact CD1-CG 4.27Å; F237-K323 HydrophobicContact CG-CB 4.23Å; F237-K323 HydrophobicContact CG-CG 4.39Å; W318-K323 HydrophobicContact CH2-CB 4.19Å; W318-K323 WeakPolarHBondContact CH2-O 3.48Å; W318-K323 VanDerWaalsContact CZ2-C 3.49Å; W318-K323 VanDerWaalsContact CZ2-CA 3.45Å; W318-K323 HydrophobicContact CZ2-CB 3.83Å; W318-K323 HydrophobicContact CZ2-CD 3.88Å; D319-K323 WeakPolarHBondContact O-CA 3.17Å; D319-K323 PolarHBondContact O-N 3.1Å; D320-K323 VanDerWaalsContact O-CD 3.23Å; D320-K323 WeakPolarHBondContact O-CD 3.42Å; D320-K323 WeakPolarHBondContact O-CE 3.15Å; D320-K323 PolarHBondContact O-NZ 2.84Å; D320-K323 IonicContact OD1-NZ 3.28Å; D320-K323 PolarHBondContact OD1-NZ 3.28Å; E321-K323 VanDerWaalsContact C-N 3.33Å; K323-S346 WeakPolarHBondContact O-CB 3.44Å
324	A	98.4	Very high	97.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.3	-177.2	0	0	0	0	0	111.2	A233 D319 Q322 W340	A233-A324 HydrophobicContact CB-CB 3.49Å; A233-A324 VanDerWaalsContact CB-CB 3.49Å; D319-A324 PolarHBondContact N-O 2.78Å; D319-A324 PolarHBondContact O-N 3.16Å; Q322-A324 VanDerWaalsContact C-N 3.29Å; Q322-A324 HydrophobicContact CB-CB 4.44Å; Q322-A324 PolarHBondContact O-N 2.75Å; A324-W340 HydrophobicContact CB-CE3 4.12Å; A324-W340 HydrophobicContact CB-CZ3 4.18Å
325	P	98.7	Very high	97.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	150.6	171.6	34.6	-38.5	0	0	0	112	R316 L317 W318 Y341 D343	R316-P325 HydrophobicContact CG-CB 4.36Å; L317-P325 WeakPolarHBondContact O-CA 3.48Å; W318-P325 HydrophobicContact CE3-CB 4.33Å; P325-Y341 HydrophobicContact CB-CD1 4.3Å; P325-Y341 HydrophobicContact CB-CE1 3.68Å; P325-Y341 HydrophobicContact CB-CE2 4.08Å; P325-Y341 WeakPolarHBondContact CD-O 3.32Å; P325-Y341 HydrophobicContact CG-CD1 4.02Å; P325-Y341 HydrophobicContact CG-CD2 3.8Å; P325-Y341 HydrophobicContact CG-CE1 3.82Å; P325-Y341 HydrophobicContact CG-CE2 3.61Å; P325-Y341 HydrophobicContact CG-CG 4Å; P325-Y341 VanDerWaalsContact CG-O 3.26Å; P325-Y341 WeakPolarHBondContact CG-O 3.37Å; P325-Y341 PolarHBondContact O-N 2.88Å; P325-D343 HydrophobicContact CG-CB 4.11Å
326	Y	98.8	Very high	97.4	Very high	39 Å²	39	64.2 Å²	64.2	15%	0.153	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	171.2	170.2	69.4	-80.6	0	0	0	110.7	L317 D319 Y328 Q338 V339 W340	L317-Y326 WeakPolarHBondContact CA-O 3.29Å; L317-Y326 HydrophobicContact CB-CD1 4.12Å; L317-Y326 HydrophobicContact CB-CD2 4.13Å; L317-Y326 HydrophobicContact CB-CE1 3.77Å; L317-Y326 HydrophobicContact CB-CE2 3.79Å; L317-Y326 HydrophobicContact CB-CG 4.29Å; L317-Y326 WeakPolarHBondContact CB-O 3.24Å; L317-Y326 HydrophobicContact CD1-CD2 4.18Å; L317-Y326 HydrophobicContact CD1-CE2 3.54Å; L317-Y326 HydrophobicContact CG-CE2 4.32Å; L317-Y326 PolarHBondContact N-O 3.4Å; L317-Y326 PolarHBondContact O-N 2.92Å; D319-Y326 HydrophobicContact CB-CD1 4.15Å; D319-Y326 HydrophobicContact CB-CE1 3.93Å; Y326-Y328 HydrophobicContact CD2-CE2 4.17Å; Y326-Y328 HydrophobicContact CE2-CD2 4.49Å; Y326-Y328 AromaticContact CE2-CE2 3.58Å; Y326-Y328 HydrophobicContact CE2-CE2 3.58Å; Y326-Y328 AromaticContact CE2-CZ 3.65Å; Y326-Y328 WeakPolarHBondContact CE2-OH 3.46Å; Y326-Q338 HydrophobicContact CD2-CG 4.17Å; Y326-V339 CarbonylContact C-O 3.58Å; Y326-V339 WeakPolarHBondContact CA-O 3.26Å; Y326-V339 VanDerWaalsContact CB-O 3.23Å; Y326-V339 WeakPolarHBondContact CB-O 3.41Å; Y326-W340 HydrophobicContact CD1-CE3 4.18Å; Y326-W340 AromaticContact CD1-CH2 3.57Å; Y326-W340 HydrophobicContact CD1-CH2 3.57Å; Y326-W340 HydrophobicContact CD1-CZ2 4.04Å; Y326-W340 AromaticContact CD1-CZ3 3.64Å; Y326-W340 HydrophobicContact CD1-CZ3 3.64Å; Y326-W340 HydrophobicContact CD2-CZ2 4.42Å; Y326-W340 HydrophobicContact CE1-CH2 4.04Å; Y326-W340 HydrophobicContact CE1-CZ3 4.46Å; Y326-W340 HydrophobicContact CG-CD2 4.23Å; Y326-W340 HydrophobicContact CG-CE3 4.21Å; Y326-W340 AromaticContact CG-CH2 3.97Å; Y326-W340 HydrophobicContact CG-CH2 3.97Å; Y326-W340 AromaticContact CG-CZ2 3.98Å; Y326-W340 HydrophobicContact CG-CZ2 3.98Å; Y326-W340 HydrophobicContact CG-CZ3 4.08Å
327	F	98.6	Very high	97.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.1	168.3	64.5	-85.1	0	0	0	110.2	I304 Q307 L308 G315 Y329 Q338 V339 Y341	I304-F327 HydrophobicContact CG2-CE1 3.84Å; Q307-F327 HydrophobicContact CB-CE2 4.28Å; Q307-F327 HydrophobicContact CB-CZ 3.97Å; Q307-F327 HydrophobicContact CG-CE2 3.72Å; Q307-F327 HydrophobicContact CG-CZ 3.87Å; L308-F327 HydrophobicContact CB-CD1 4.48Å; L308-F327 HydrophobicContact CB-CE1 4.22Å; L308-F327 HydrophobicContact CB-CZ 4.4Å; L308-F327 HydrophobicContact CD1-CB 3.81Å; L308-F327 HydrophobicContact CD1-CD1 3.63Å; L308-F327 HydrophobicContact CD1-CD2 4.27Å; L308-F327 HydrophobicContact CD1-CE1 4.21Å; L308-F327 HydrophobicContact CD1-CG 3.65Å; G315-F327 WeakPolarHBondContact O-CB 3.39Å; F327-Y329 HydrophobicContact CD2-CD1 4.48Å; F327-Y329 AromaticContact CE2-CD1 3.89Å; F327-Y329 HydrophobicContact CE2-CD1 3.89Å; F327-Q338 WeakPolarHBondContact O-CA 3.24Å; F327-V339 HydrophobicContact CD1-CB 3.96Å; F327-V339 HydrophobicContact CD1-CG1 4.37Å; F327-V339 HydrophobicContact CD2-CB 4.45Å; F327-V339 HydrophobicContact CD2-CG2 4.49Å; F327-V339 HydrophobicContact CE1-CB 3.51Å; F327-V339 HydrophobicContact CE1-CG1 3.59Å; F327-V339 HydrophobicContact CE1-CG2 4.11Å; F327-V339 HydrophobicContact CE2-CB 4.01Å; F327-V339 HydrophobicContact CE2-CG2 3.78Å; F327-V339 HydrophobicContact CG-CB 4.42Å; F327-V339 HydrophobicContact CZ-CB 3.53Å; F327-V339 HydrophobicContact CZ-CG1 3.79Å; F327-V339 HydrophobicContact CZ-CG2 3.57Å; F327-V339 PolarHBondContact N-O 2.72Å; F327-V339 PolarHBondContact O-N 2.84Å; F327-Y341 HydrophobicContact CD1-CD1 4.43Å; F327-Y341 AromaticContact CD1-CE1 3.88Å; F327-Y341 HydrophobicContact CD1-CE1 3.88Å; F327-Y341 HydrophobicContact CE1-CD1 4.43Å; F327-Y341 HydrophobicContact CE1-CE1 4.15Å
328	Y	98	Very high	97.4	Very high	36 Å²	36	58.4 Å²	58.4	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.3	170.6	-51.4	-87.5	0	0	0	110.5	L273 G277 S313 S314 L317 Y326 H337 Q338	L273-Y328 HydrophobicContact CD1-CD1 4.03Å; L273-Y328 HydrophobicContact CD1-CE1 3.53Å; L273-Y328 HydrophobicContact CD2-CD1 4.22Å; L273-Y328 HydrophobicContact CD2-CE1 4.45Å; G277-Y328 WeakPolarHBondContact CA-OH 3.45Å; G277-Y328 PolarHBondContact O-OH 2.83Å; S313-Y328 CarbonylContact C-O 3.57Å; S313-Y328 WeakPolarHBondContact CA-O 3.26Å; S314-Y328 PolarHBondContact N-O 3.25Å; S314-Y328 PolarHBondContact OG-N 2.99Å; S314-Y328 PolarHBondContact OG-O 3.04Å; L317-Y328 HydrophobicContact CD1-CD2 3.71Å; L317-Y328 HydrophobicContact CD1-CE2 3.46Å; L317-Y328 VanDerWaalsContact CD1-CE2 3.46Å; Y326-Y328 HydrophobicContact CD2-CE2 4.17Å; Y326-Y328 HydrophobicContact CE2-CD2 4.49Å; Y326-Y328 AromaticContact CE2-CE2 3.58Å; Y326-Y328 HydrophobicContact CE2-CE2 3.58Å; Y326-Y328 AromaticContact CE2-CZ 3.65Å; Y326-Y328 WeakPolarHBondContact CE2-OH 3.46Å; Y328-H337 WeakPolarHBondContact CA-O 3.27Å; Y328-Q338 HydrophobicContact CD1-CB 3.88Å; Y328-Q338 HydrophobicContact CD1-CG 3.87Å; Y328-Q338 HydrophobicContact CE1-CB 3.98Å; Y328-Q338 HydrophobicContact CE1-CG 3.65Å; Y328-Q338 VanDerWaalsContact CZ-NE2 3.29Å; Y328-Q338 PolarHBondContact OH-NE2 2.9Å
329	Y	97.9	Very high	97.5	Very high	20 Å²	20	55.6 Å²	55.6	8%	0.078	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.5	163	74.5	-81.8	0	0	0	110.8	D267 W303 Q307 T312 F327 D331 H337 V339	D267-Y329 VanDerWaalsContact CG-OH 3.32Å; D267-Y329 WeakPolarHBondContact OD1-CE1 3.25Å; D267-Y329 PolarHBondContact OD1-OH 3.23Å; D267-Y329 PolarHBondContact OD2-OH 3.45Å; W303-Y329 HydrophobicContact CH2-CE1 4.08Å; Q307-Y329 HydrophobicContact CG-CD1 4.07Å; Q307-Y329 HydrophobicContact CG-CE1 4.18Å; Q307-Y329 HydrophobicContact CG-CG 4.28Å; Q307-Y329 VanDerWaalsContact NE2-CG 3.34Å; T312-Y329 VanDerWaalsContact O-CA 3.31Å; T312-Y329 WeakPolarHBondContact O-CA 3.44Å; F327-Y329 HydrophobicContact CD2-CD1 4.48Å; F327-Y329 AromaticContact CE2-CD1 3.89Å; F327-Y329 HydrophobicContact CE2-CD1 3.89Å; Y329-D331 HydrophobicContact CE2-CB 4.12Å; Y329-H337 HydrophobicContact CD1-CB 3.69Å; Y329-H337 HydrophobicContact CE1-CB 3.31Å; Y329-H337 AromaticContact CE1-CG 3.89Å; Y329-H337 HydrophobicContact CE2-CB 4.26Å; Y329-H337 HydrophobicContact CG-CB 4.3Å; Y329-H337 AromaticContact CZ-CG 3.69Å; Y329-H337 AromaticContact CZ-ND1 3.91Å; Y329-H337 PolarHBondContact N-O 3.05Å; Y329-H337 VanDerWaalsContact N-O 3.08Å; Y329-H337 PolarHBondContact O-N 2.75Å; Y329-H337 PolarHBondContact OH-ND1 2.75Å; Y329-V339 HydrophobicContact CD1-CG2 3.91Å; Y329-V339 HydrophobicContact CE1-CG2 3.62Å
330	K	96.9	Very high	97.5	Very high	119 Å²	119	54.2 Å²	54.2	52%	0.517	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131	166.1	-69.1	-173.1	179.1	-176.7	0	109.9	T312 Q335	T312-K330 WeakPolarHBondContact CB-O 3.22Å; T312-K330 PolarHBondContact OG1-O 3.45Å; T312-K330 VanDerWaalsContact OG1-O 3.05Å; K330-Q335 VanDerWaalsContact CA-O 3.32Å; K330-Q335 WeakPolarHBondContact CA-O 3.2Å
331	D	95.6	Very high	97.6	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	25%	0.247	S	C	.	.			trans	-75.6	179.8	173.7	80.4	0.7	0	0	0	111.6	Y329 T333 G334 Q335 H337	Y329-D331 HydrophobicContact CE2-CB 4.12Å; D331-T333 PolarHBondContact O-N 2.87Å; D331-T333 WeakPolarHBondContact OD1-CA 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 2.59Å; D331-T333 PolarHBondContact OD1-OG1 3.46Å; D331-T333 PolarHBondContact OD2-OG1 2.59Å; D331-G334 PolarHBondContact O-N 3.32Å; D331-G334 PolarHBondContact OD1-N 3.47Å; D331-G334 VanDerWaalsContact OD1-N 3.09Å; D331-Q335 PolarHBondContact N-O 2.9Å; D331-Q335 WeakPolarHBondContact OD1-CB 3.16Å; D331-Q335 PolarHBondContact OD1-N 2.88Å; D331-H337 IonicContact OD2-NE2 3.5Å
332	E	94.8	Very high	97.7	Very high	207 Å²	207	41.8 Å²	41.8	97%	0.967	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.3	-178.9	-62.5	177.8	-179.6	0	0	113.6	G334	E332-G334 VanDerWaalsContact C-N 3.34Å
333	T	95.8	Very high	97.7	Very high	119 Å²	119	40.8 Å²	40.8	73%	0.73	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.7	176.9	75.4	0	0	0	0	112.7	D331 Q335	D331-T333 PolarHBondContact O-N 2.87Å; D331-T333 WeakPolarHBondContact OD1-CA 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 2.59Å; D331-T333 PolarHBondContact OD1-OG1 3.46Å; D331-T333 PolarHBondContact OD2-OG1 2.59Å; T333-Q335 VanDerWaalsContact C-N 3.28Å; T333-Q335 WeakPolarHBondContact OG1-CB 3.46Å
334	G	95	Very high	97.7	Very high	44 Å²	44	38.4 Å²	38.4	45%	0.454	20%	0.201	S	C	.	.			trans	82	3.7	-174.2	0	0	0	0	0	113.8	D331 E332	D331-G334 PolarHBondContact O-N 3.32Å; D331-G334 PolarHBondContact OD1-N 3.47Å; D331-G334 VanDerWaalsContact OD1-N 3.09Å; E332-G334 VanDerWaalsContact C-N 3.34Å
335	Q	96.5	Very high	97.7	Very high	72 Å²	72	43.3 Å²	43.3	34%	0.336	22%	0.224	S	C	.	.			trans	-66	133.1	174.3	176.1	57.2	73.4	0	0	108.8	C270 K330 D331 T333 H337	C270-Q335 PolarHBondContact O-NE2 3.46Å; K330-Q335 VanDerWaalsContact CA-O 3.32Å; K330-Q335 WeakPolarHBondContact CA-O 3.2Å; D331-Q335 PolarHBondContact N-O 2.9Å; D331-Q335 WeakPolarHBondContact OD1-CB 3.16Å; D331-Q335 PolarHBondContact OD1-N 2.88Å; T333-Q335 VanDerWaalsContact C-N 3.28Å; T333-Q335 WeakPolarHBondContact OG1-CB 3.46Å; Q335-H337 PolarHBondContact O-CD2 3.39Å
336	S	97.9	Very high	97.7	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.7	175.5	-58.5	0	0	0	0	110.1	C270	C270-S336 WeakPolarHBondContact CB-O 3.5Å; C270-S336 PolarHBondContact N-O 3.1Å
337	H	98.6	Very high	97.7	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.3	178.1	-77	-113.9	0	0	0	109.9	D267 Y268 Y328 Y329 D331 Q335	D267-H337 WeakPolarHBondContact OD1-CB 3.22Å; D267-H337 IonicContact OD1-CE1 2.75Å; D267-H337 IonicContact OD1-CG 2.86Å; D267-H337 IonicContact OD1-ND1 3.47Å; D267-H337 PolarHBondContact OD1-ND1 2.94Å; D267-H337 IonicContact OD2-ND1 3.84Å; Y268-H337 CarbonylContact O-C 3.57Å; Y268-H337 WeakPolarHBondContact O-CA 3.46Å; Y328-H337 WeakPolarHBondContact CA-O 3.27Å; Y329-H337 HydrophobicContact CD1-CB 3.69Å; Y329-H337 HydrophobicContact CE1-CB 3.31Å; Y329-H337 AromaticContact CE1-CG 3.89Å; Y329-H337 HydrophobicContact CE2-CB 4.26Å; Y329-H337 HydrophobicContact CG-CB 4.3Å; Y329-H337 AromaticContact CZ-CG 3.69Å; Y329-H337 AromaticContact CZ-ND1 3.91Å; Y329-H337 PolarHBondContact N-O 3.05Å; Y329-H337 VanDerWaalsContact N-O 3.08Å; Y329-H337 PolarHBondContact O-N 2.75Å; Y329-H337 PolarHBondContact OH-ND1 2.75Å; D331-H337 IonicContact OD2-NE2 3.5Å; Q335-H337 PolarHBondContact O-CD2 3.39Å
338	Q	98.6	Very high	97.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.9	167.6	-168.8	-179.3	49.9	0	0	109.2	A231 Y268 C279 Y326 F327 Y328	A231-Q338 HydrophobicContact CB-CB 4.41Å; A231-Q338 VanDerWaalsContact CB-OE1 3.22Å; Y268-Q338 PolarHBondContact N-O 3.24Å; Y268-Q338 PolarHBondContact O-N 3.37Å; C279-Q338 HydrophobicContact CB-CB 3.75Å; C279-Q338 HydrophobicContact CB-CG 4.39Å; C279-Q338 VanDerWaalsContact CB-OE1 3.29Å; Y326-Q338 HydrophobicContact CD2-CG 4.17Å; F327-Q338 WeakPolarHBondContact O-CA 3.24Å; Y328-Q338 HydrophobicContact CD1-CB 3.88Å; Y328-Q338 HydrophobicContact CD1-CG 3.87Å; Y328-Q338 HydrophobicContact CE1-CB 3.98Å; Y328-Q338 HydrophobicContact CE1-CG 3.65Å; Y328-Q338 VanDerWaalsContact CZ-NE2 3.29Å; Y328-Q338 PolarHBondContact OH-NE2 2.9Å
339	V	98.9	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.3	179.3	-176.6	0	0	0	0	109	Y266 D267 W303 I304 Y326 F327 Y329	Y266-V339 VanDerWaalsContact O-CA 3.25Å; Y266-V339 WeakPolarHBondContact O-CA 3.39Å; D267-V339 HydrophobicContact CB-CG2 4.04Å; W303-V339 HydrophobicContact CH2-CG2 4.44Å; W303-V339 HydrophobicContact CZ3-CG1 4.43Å; W303-V339 HydrophobicContact CZ3-CG2 4.2Å; I304-V339 HydrophobicContact CG1-CG1 4.2Å; I304-V339 HydrophobicContact CG2-CG1 4.4Å; Y326-V339 CarbonylContact C-O 3.58Å; Y326-V339 WeakPolarHBondContact CA-O 3.26Å; Y326-V339 VanDerWaalsContact CB-O 3.23Å; Y326-V339 WeakPolarHBondContact CB-O 3.41Å; F327-V339 HydrophobicContact CD1-CB 3.96Å; F327-V339 HydrophobicContact CD1-CG1 4.37Å; F327-V339 HydrophobicContact CD2-CB 4.45Å; F327-V339 HydrophobicContact CD2-CG2 4.49Å; F327-V339 HydrophobicContact CE1-CB 3.51Å; F327-V339 HydrophobicContact CE1-CG1 3.59Å; F327-V339 HydrophobicContact CE1-CG2 4.11Å; F327-V339 HydrophobicContact CE2-CB 4.01Å; F327-V339 HydrophobicContact CE2-CG2 3.78Å; F327-V339 HydrophobicContact CG-CB 4.42Å; F327-V339 HydrophobicContact CZ-CB 3.53Å; F327-V339 HydrophobicContact CZ-CG1 3.79Å; F327-V339 HydrophobicContact CZ-CG2 3.57Å; F327-V339 PolarHBondContact N-O 2.72Å; F327-V339 PolarHBondContact O-N 2.84Å; Y329-V339 HydrophobicContact CD1-CG2 3.91Å; Y329-V339 HydrophobicContact CE1-CG2 3.62Å
340	W	98.9	Very high	97.7	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.7	173	-72.7	89.6	0	0	0	110.3	A231 M232 A233 G265 Y266 D319 Q322 A324 Y326	A231-W340 PolarHBondContact O-NE1 2.86Å; M232-W340 VanDerWaalsContact C-CG 3.5Å; M232-W340 WeakPolarHBondContact O-CB 3.38Å; A233-W340 HydrophobicContact CB-CD2 4.38Å; A233-W340 HydrophobicContact CB-CE3 3.68Å; A233-W340 HydrophobicContact CB-CZ3 4.14Å; G265-W340 CarbonylContact C-O 3.52Å; G265-W340 WeakPolarHBondContact CA-O 3.03Å; Y266-W340 PolarHBondContact N-O 2.74Å; Y266-W340 PolarHBondContact O-N 3.25Å; D319-W340 HydrophobicContact CB-CH2 3.54Å; D319-W340 HydrophobicContact CB-CZ3 3.62Å; Q322-W340 VanDerWaalsContact NE2-CH2 3.31Å; A324-W340 HydrophobicContact CB-CE3 4.12Å; A324-W340 HydrophobicContact CB-CZ3 4.18Å; Y326-W340 HydrophobicContact CD1-CE3 4.18Å; Y326-W340 AromaticContact CD1-CH2 3.57Å; Y326-W340 HydrophobicContact CD1-CH2 3.57Å; Y326-W340 HydrophobicContact CD1-CZ2 4.04Å; Y326-W340 AromaticContact CD1-CZ3 3.64Å; Y326-W340 HydrophobicContact CD1-CZ3 3.64Å; Y326-W340 HydrophobicContact CD2-CZ2 4.42Å; Y326-W340 HydrophobicContact CE1-CH2 4.04Å; Y326-W340 HydrophobicContact CE1-CZ3 4.46Å; Y326-W340 HydrophobicContact CG-CD2 4.23Å; Y326-W340 HydrophobicContact CG-CE3 4.21Å; Y326-W340 AromaticContact CG-CH2 3.97Å; Y326-W340 HydrophobicContact CG-CH2 3.97Å; Y326-W340 AromaticContact CG-CZ2 3.98Å; Y326-W340 HydrophobicContact CG-CZ2 3.98Å; Y326-W340 HydrophobicContact CG-CZ3 4.08Å
341	Y	98.9	Very high	97.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.204	C	C	.	.			trans	-155.3	175.5	-176	65.8	-74.2	0	0	0	111.7	Y301 I304 M305 P325 F327 D343	Y301-Y341 HydrophobicContact CD2-CD2 4.36Å; Y301-Y341 HydrophobicContact CE2-CD2 4.09Å; Y301-Y341 HydrophobicContact CE2-CE2 4.24Å; I304-Y341 HydrophobicContact CD1-CG 4.35Å; I304-Y341 HydrophobicContact CG2-CD1 3.71Å; I304-Y341 HydrophobicContact CG2-CD2 3.73Å; I304-Y341 HydrophobicContact CG2-CE1 4.02Å; I304-Y341 HydrophobicContact CG2-CE2 4.02Å; I304-Y341 HydrophobicContact CG2-CG 3.57Å; M305-Y341 HydrophobicContact CE-CD2 4.02Å; M305-Y341 HydrophobicContact CE-CE2 3.3Å; P325-Y341 HydrophobicContact CB-CD1 4.3Å; P325-Y341 HydrophobicContact CB-CE1 3.68Å; P325-Y341 HydrophobicContact CB-CE2 4.08Å; P325-Y341 WeakPolarHBondContact CD-O 3.32Å; P325-Y341 HydrophobicContact CG-CD1 4.02Å; P325-Y341 HydrophobicContact CG-CD2 3.8Å; P325-Y341 HydrophobicContact CG-CE1 3.82Å; P325-Y341 HydrophobicContact CG-CE2 3.61Å; P325-Y341 HydrophobicContact CG-CG 4Å; P325-Y341 VanDerWaalsContact CG-O 3.26Å; P325-Y341 WeakPolarHBondContact CG-O 3.37Å; P325-Y341 PolarHBondContact O-N 2.88Å; F327-Y341 HydrophobicContact CD1-CD1 4.43Å; F327-Y341 AromaticContact CD1-CE1 3.88Å; F327-Y341 HydrophobicContact CD1-CE1 3.88Å; F327-Y341 HydrophobicContact CE1-CD1 4.43Å; F327-Y341 HydrophobicContact CE1-CE1 4.15Å; Y341-D343 HydrophobicContact CD2-CB 4.24Å; Y341-D343 HydrophobicContact CE2-CB 3.81Å
342	D	98.8	Very high	97.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.202	C	C	.	.			trans	-108.8	144.1	168.5	-91.1	-88.3	0	0	0	110.2	P262 Y301 S346 L347 K350	P262-D342 HydrophobicContact CG-CB 4.33Å; P262-D342 WeakPolarHBondContact CG-OD2 3.31Å; Y301-D342 WeakPolarHBondContact CD2-O 3.23Å; Y301-D342 VanDerWaalsContact CE2-O 3.31Å; Y301-D342 WeakPolarHBondContact CE2-O 3.12Å; D342-S346 VanDerWaalsContact CA-OG 3.31Å; D342-S346 WeakPolarHBondContact CA-OG 3.15Å; D342-S346 WeakPolarHBondContact OD1-CB 3.43Å; D342-S346 PolarHBondContact OD1-OG 3.29Å; D342-L347 HydrophobicContact CB-CD1 4.47Å; D342-L347 HydrophobicContact CB-CD2 3.79Å; D342-L347 HydrophobicContact CB-CG 3.99Å; D342-K350 IonicContact OD1-NZ 3.84Å; D342-K350 PolarHBondContact OD1-NZ 3.37Å; D342-K350 IonicContact OD2-NZ 2.91Å; D342-K350 PolarHBondContact OD2-NZ 2.92Å
343	D	98.3	Very high	98	Very high	12 Å²	12	27 Å²	27	6%	0.064	16%	0.159	C	C	.	.			trans	-136.9	-179.9	176.8	79.2	4.6	0	0	0	110.4	Y301 R316 P325 Y341 Q345 S346 L347	Y301-D343 HydrophobicContact CE2-CB 4.1Å; R316-D343 IonicContact CZ-OD2 3.32Å; R316-D343 IonicContact NE-OD2 3.6Å; R316-D343 PolarHBondContact NE-OD2 3.43Å; R316-D343 IonicContact NH2-OD1 3.7Å; R316-D343 PolarHBondContact NH2-OD1 2.92Å; R316-D343 IonicContact NH2-OD2 3.97Å; R316-D343 PolarHBondContact NH2-OD2 3.1Å; P325-D343 HydrophobicContact CG-CB 4.11Å; Y341-D343 HydrophobicContact CD2-CB 4.24Å; Y341-D343 HydrophobicContact CE2-CB 3.81Å; D343-Q345 PolarHBondContact O-N 3.4Å; D343-Q345 VanDerWaalsContact O-N 3.1Å; D343-Q345 WeakPolarHBondContact OD1-CA 3.45Å; D343-Q345 VanDerWaalsContact OD1-CB 3.25Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.43Å; D343-Q345 PolarHBondContact OD1-N 2.97Å; D343-S346 PolarHBondContact N-OG 2.92Å; D343-S346 PolarHBondContact O-N 3.05Å; D343-S346 VanDerWaalsContact O-N 3.1Å; D343-S346 PolarHBondContact O-OG 3.26Å; D343-S346 PolarHBondContact OD1-N 3.34Å; D343-L347 WeakPolarHBondContact O-CB 3.15Å; D343-L347 VanDerWaalsContact O-CG 3.31Å; D343-L347 WeakPolarHBondContact O-CG 3.41Å; D343-L347 PolarHBondContact O-N 2.97Å
344	P	98.2	Very high	98.2	Very high	26 Å²	26	21.4 Å²	21.4	17%	0.169	12%	0.124	C	C	.	.	H	α-helix	trans	-56.7	-30.3	-177.9	-26.7	36.2	0	0	0	114	S348 L384 M385 A388	P344-S348 WeakPolarHBondContact O-CB 3.33Å; P344-S348 PolarHBondContact O-N 3.27Å; P344-S348 VanDerWaalsContact O-N 3.14Å; P344-S348 PolarHBondContact O-OG 2.82Å; P344-L384 HydrophobicContact CB-CB 4.19Å; P344-L384 HydrophobicContact CG-CB 3.58Å; P344-M385 HydrophobicContact CG-CG 4.49Å; P344-M385 HydrophobicContact CG-SD 3.92Å; P344-A388 HydrophobicContact CB-CB 4.11Å
345	Q	97.9	Very high	98.2	Very high	103 Å²	103	23.2 Å²	23.2	48%	0.481	12%	0.122	S	C	.	.	H	α-helix	trans	-70.8	-38.3	178.8	-172.2	-174.4	-1.3	0	0	111.7	W318 D343 P349	W318-Q345 HydrophobicContact CH2-CG 4.01Å; W318-Q345 HydrophobicContact CZ3-CB 4.3Å; W318-Q345 HydrophobicContact CZ3-CG 4.09Å; D343-Q345 PolarHBondContact O-N 3.4Å; D343-Q345 VanDerWaalsContact O-N 3.1Å; D343-Q345 WeakPolarHBondContact OD1-CA 3.45Å; D343-Q345 VanDerWaalsContact OD1-CB 3.25Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.43Å; D343-Q345 PolarHBondContact OD1-N 2.97Å; Q345-P349 WeakPolarHBondContact O-CD 3.14Å
346	S	98.4	Very high	98.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-82.9	-29.1	177.7	66.7	0	0	0	0	113.3	K323 D342 D343	K323-S346 WeakPolarHBondContact O-CB 3.44Å; D342-S346 VanDerWaalsContact CA-OG 3.31Å; D342-S346 WeakPolarHBondContact CA-OG 3.15Å; D342-S346 WeakPolarHBondContact OD1-CB 3.43Å; D342-S346 PolarHBondContact OD1-OG 3.29Å; D343-S346 PolarHBondContact N-OG 2.92Å; D343-S346 PolarHBondContact O-N 3.05Å; D343-S346 VanDerWaalsContact O-N 3.1Å; D343-S346 PolarHBondContact O-OG 3.26Å; D343-S346 PolarHBondContact OD1-N 3.34Å
347	L	98.6	Very high	98.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-79.6	-38.6	-178.2	-68.8	179.7	0	0	0	113.7	V261 D342 D343 K350 A351 M385 A388	V261-L347 HydrophobicContact CB-CD2 3.74Å; V261-L347 HydrophobicContact CG1-CD2 4.05Å; V261-L347 HydrophobicContact CG2-CD2 4.12Å; D342-L347 HydrophobicContact CB-CD1 4.47Å; D342-L347 HydrophobicContact CB-CD2 3.79Å; D342-L347 HydrophobicContact CB-CG 3.99Å; D343-L347 WeakPolarHBondContact O-CB 3.15Å; D343-L347 VanDerWaalsContact O-CG 3.31Å; D343-L347 WeakPolarHBondContact O-CG 3.41Å; D343-L347 PolarHBondContact O-N 2.97Å; L347-K350 HydrophobicContact CD2-CD 4.37Å; L347-K350 WeakPolarHBondContact O-CB 3.36Å; L347-K350 PolarHBondContact O-N 3.03Å; L347-A351 PolarHBondContact O-N 2.75Å; L347-M385 HydrophobicContact CD1-CE 3.53Å; L347-M385 HydrophobicContact CD1-SD 4.14Å; L347-A388 HydrophobicContact CB-CB 3.88Å
348	S	98.2	Very high	98.1	Very high	21 Å²	21	27.7 Å²	27.7	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-42.3	-175.4	-54.6	0	0	0	0	113.3	P344 K350 A351 D352 G391 S392	P344-S348 WeakPolarHBondContact O-CB 3.33Å; P344-S348 PolarHBondContact O-N 3.27Å; P344-S348 VanDerWaalsContact O-N 3.14Å; P344-S348 PolarHBondContact O-OG 2.82Å; S348-K350 VanDerWaalsContact C-N 3.29Å; S348-K350 PolarHBondContact O-N 3.46Å; S348-A351 PolarHBondContact O-N 3.05Å; S348-D352 PolarHBondContact O-N 3.34Å; S348-G391 WeakPolarHBondContact O-CA 3.11Å; S348-S392 WeakPolarHBondContact CB-OG 3.2Å
349	P	98	Very high	98.1	Very high	44 Å²	44	27.7 Å²	27.7	29%	0.286	16%	0.159	S	C	.	.	H	α-helix	trans	-64.4	-29.9	174.4	-24.9	37	0	0	0	113.9	F237 Q345 D352 Y353	F237-P349 HydrophobicContact CD2-CB 4.24Å; F237-P349 HydrophobicContact CE2-CB 3.52Å; F237-P349 HydrophobicContact CZ-CB 4.04Å; Q345-P349 WeakPolarHBondContact O-CD 3.14Å; P349-D352 PolarHBondContact O-N 3.03Å; P349-Y353 PolarHBondContact O-N 3.4Å; P349-Y353 VanDerWaalsContact O-N 3.07Å
350	K	98.6	Very high	98.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-43.7	174.3	-65.4	175.1	179.6	168.9	0	110.1	A235 F237 M259 V261 D342 L347 S348 D352 Y353 V354	A235-K350 WeakPolarHBondContact O-CE 3.45Å; A235-K350 PolarHBondContact O-NZ 3.43Å; F237-K350 HydrophobicContact CD2-CG 3.78Å; F237-K350 HydrophobicContact CE2-CG 4.18Å; M259-K350 HydrophobicContact SD-CB 3.75Å; V261-K350 HydrophobicContact CG1-CD 4.46Å; D342-K350 IonicContact OD1-NZ 3.84Å; D342-K350 PolarHBondContact OD1-NZ 3.37Å; D342-K350 IonicContact OD2-NZ 2.91Å; D342-K350 PolarHBondContact OD2-NZ 2.92Å; L347-K350 HydrophobicContact CD2-CD 4.37Å; L347-K350 WeakPolarHBondContact O-CB 3.36Å; L347-K350 PolarHBondContact O-N 3.03Å; S348-K350 VanDerWaalsContact C-N 3.29Å; S348-K350 PolarHBondContact O-N 3.46Å; K350-D352 VanDerWaalsContact C-N 3.33Å; K350-D352 PolarHBondContact O-N 3.02Å; K350-Y353 WeakPolarHBondContact O-CB 3.31Å; K350-Y353 PolarHBondContact O-N 2.68Å; K350-Y353 VanDerWaalsContact O-N 3.14Å; K350-V354 WeakPolarHBondContact O-CG2 3.47Å; K350-V354 PolarHBondContact O-N 2.85Å
351	A	98.3	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-36.6	172.9	0	0	0	0	0	112.7	L347 S348 Y353 V354 M355 I362 A388	L347-A351 PolarHBondContact O-N 2.75Å; S348-A351 PolarHBondContact O-N 3.05Å; A351-Y353 VanDerWaalsContact C-N 3.29Å; A351-Y353 PolarHBondContact O-N 2.9Å; A351-V354 WeakPolarHBondContact O-CB 3.43Å; A351-V354 PolarHBondContact O-N 3.07Å; A351-M355 PolarHBondContact O-N 3.16Å; A351-M355 VanDerWaalsContact O-N 3.11Å; A351-I362 HydrophobicContact CB-CD1 3.94Å; A351-A388 VanDerWaalsContact CB-O 3.3Å; A351-A388 WeakPolarHBondContact CB-O 3.4Å
352	D	98.1	Very high	98	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-39.8	171.9	-70	-32.2	0	0	0	112	S348 P349 K350 M355 S356 G391 S392	S348-D352 PolarHBondContact O-N 3.34Å; P349-D352 PolarHBondContact O-N 3.03Å; K350-D352 VanDerWaalsContact C-N 3.33Å; K350-D352 PolarHBondContact O-N 3.02Å; D352-M355 PolarHBondContact O-N 3.17Å; D352-M355 WeakPolarHBondContact OD1-CE 3.19Å; D352-S356 WeakPolarHBondContact O-CB 3.31Å; D352-S356 PolarHBondContact O-N 2.84Å; D352-S356 PolarHBondContact O-OG 2.88Å; D352-G391 VanDerWaalsContact OD1-CA 3.32Å; D352-G391 WeakPolarHBondContact OD1-CA 3.23Å; D352-S392 PolarHBondContact OD1-N 2.87Å; D352-S392 WeakPolarHBondContact OD2-CB 3.37Å; D352-S392 PolarHBondContact OD2-N 2.87Å; D352-S392 PolarHBondContact OD2-OG 2Å
353	Y	98.3	Very high	98	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.071	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.2	177.1	-86.8	0	0	0	111.7	L241 Y244 D245 M259 P349 K350 A351 M355 S356 K357 L359	L241-Y353 HydrophobicContact CB-CD2 4.3Å; L241-Y353 HydrophobicContact CB-CE2 4.1Å; L241-Y353 HydrophobicContact CD1-CD2 3.53Å; L241-Y353 HydrophobicContact CD1-CE2 4.1Å; L241-Y353 HydrophobicContact CD1-CG 4.01Å; L241-Y353 HydrophobicContact CD2-CD1 3.61Å; L241-Y353 HydrophobicContact CD2-CD2 3.65Å; L241-Y353 HydrophobicContact CD2-CE1 4.11Å; L241-Y353 HydrophobicContact CD2-CE2 4.12Å; L241-Y353 HydrophobicContact CD2-CG 3.35Å; L241-Y353 HydrophobicContact CG-CD2 4.01Å; L241-Y353 HydrophobicContact CG-CE2 4.32Å; L241-Y353 HydrophobicContact CG-CG 4.21Å; L241-Y353 PolarHBondContact O-OH 2.69Å; Y244-Y353 WeakPolarHBondContact CB-OH 3.26Å; Y244-Y353 HydrophobicContact CG-CE1 4.03Å; D245-Y353 PolarHBondContact N-OH 3.5Å; D245-Y353 PolarHBondContact OD1-OH 2.92Å; M259-Y353 HydrophobicContact CE-CD1 3.73Å; M259-Y353 HydrophobicContact CE-CE1 4.24Å; P349-Y353 PolarHBondContact O-N 3.4Å; P349-Y353 VanDerWaalsContact O-N 3.07Å; K350-Y353 WeakPolarHBondContact O-CB 3.31Å; K350-Y353 PolarHBondContact O-N 2.68Å; K350-Y353 VanDerWaalsContact O-N 3.14Å; A351-Y353 VanDerWaalsContact C-N 3.29Å; A351-Y353 PolarHBondContact O-N 2.9Å; Y353-M355 VanDerWaalsContact C-N 3.29Å; Y353-M355 PolarHBondContact O-N 3.27Å; Y353-S356 WeakPolarHBondContact CA-OG 3.35Å; Y353-S356 PolarHBondContact O-N 2.91Å; Y353-S356 VanDerWaalsContact O-N 3.1Å; Y353-S356 PolarHBondContact O-OG 2.86Å; Y353-K357 HydrophobicContact CD1-CG 4.1Å; Y353-K357 HydrophobicContact CD2-CG 4.09Å; Y353-K357 HydrophobicContact CE1-CB 4.39Å; Y353-K357 HydrophobicContact CE1-CG 3.73Å; Y353-K357 HydrophobicContact CE2-CD 4.23Å; Y353-K357 VanDerWaalsContact CE2-CE 3.44Å; Y353-K357 HydrophobicContact CE2-CG 3.77Å; Y353-K357 HydrophobicContact CG-CG 4.27Å; Y353-K357 PolarHBondContact O-N 2.85Å; Y353-L359 HydrophobicContact CD1-CD1 4.4Å; Y353-L359 HydrophobicContact CE1-CD1 4.22Å
354	V	98.4	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-50.6	-50.4	176.3	174.2	0	0	0	0	110.4	F68 M259 K350 A351 G358 L359 G361 I362	F68-V354 HydrophobicContact CE2-CG1 3.63Å; F68-V354 HydrophobicContact CZ-CG1 4.02Å; M259-V354 HydrophobicContact CB-CG2 3.56Å; M259-V354 HydrophobicContact CE-CG2 3.87Å; M259-V354 HydrophobicContact CG-CG2 4.15Å; M259-V354 HydrophobicContact SD-CG2 3.56Å; M259-V354 VanDerWaalsContact SD-CG2 3.56Å; K350-V354 WeakPolarHBondContact O-CG2 3.47Å; K350-V354 PolarHBondContact O-N 2.85Å; A351-V354 WeakPolarHBondContact O-CB 3.43Å; A351-V354 PolarHBondContact O-N 3.07Å; V354-G358 PolarHBondContact O-N 3.34Å; V354-L359 HydrophobicContact CB-CB 4.4Å; V354-L359 HydrophobicContact CB-CD1 4.5Å; V354-L359 HydrophobicContact CG1-CB 3.78Å; V354-L359 HydrophobicContact CG2-CD1 4.22Å; V354-L359 PolarHBondContact O-N 3.1Å; V354-G361 WeakPolarHBondContact CG1-O 3.31Å; V354-I362 HydrophobicContact CG2-CB 4.43Å
355	M	96.3	Very high	98	Very high	83 Å²	83	29.5 Å²	29.5	41%	0.409	16%	0.162	S	C	.	.	H	α-helix	trans	-65.1	-45.1	178.2	-66.8	-176.9	-74	0	0	112.1	F68 A351 D352 Y353 K357 G358 L390	F68-M355 HydrophobicContact CE2-CG 4.44Å; A351-M355 PolarHBondContact O-N 3.16Å; A351-M355 VanDerWaalsContact O-N 3.11Å; D352-M355 PolarHBondContact O-N 3.17Å; D352-M355 WeakPolarHBondContact OD1-CE 3.19Å; Y353-M355 VanDerWaalsContact C-N 3.29Å; Y353-M355 PolarHBondContact O-N 3.27Å; M355-K357 VanDerWaalsContact C-N 3.28Å; M355-K357 PolarHBondContact O-N 3.01Å; M355-G358 PolarHBondContact O-N 3.08Å; M355-G358 VanDerWaalsContact O-N 3.15Å; M355-L390 VanDerWaalsContact CE-O 3.26Å; M355-L390 WeakPolarHBondContact CE-O 2.97Å
356	S	97	Very high	98	Very high	90 Å²	90	25 Å²	25	63%	0.629	14%	0.141	S	C	*	.	H	α-helix	trans	-64.2	-31.5	-177	77.2	0	0	0	0	113.8	D352 Y353	D352-S356 WeakPolarHBondContact O-CB 3.31Å; D352-S356 PolarHBondContact O-N 2.84Å; D352-S356 PolarHBondContact O-OG 2.88Å; Y353-S356 WeakPolarHBondContact CA-OG 3.35Å; Y353-S356 PolarHBondContact O-N 2.91Å; Y353-S356 VanDerWaalsContact O-N 3.1Å; Y353-S356 PolarHBondContact O-OG 2.86Å
357	K	97.6	Very high	98	Very high	83 Å²	83	25 Å²	25	36%	0.361	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.8	179.4	-66.3	-70.9	-178.8	143.5	0	112.8	D245 L248 S254 Y353 M355 L359	D245-K357 IonicContact OD1-NZ 3.77Å; D245-K357 PolarHBondContact OD1-NZ 3.05Å; L248-K357 HydrophobicContact CD1-CD 4.29Å; S254-K357 WeakPolarHBondContact CB-O 3.5Å; Y353-K357 HydrophobicContact CD1-CG 4.1Å; Y353-K357 HydrophobicContact CD2-CG 4.09Å; Y353-K357 HydrophobicContact CE1-CB 4.39Å; Y353-K357 HydrophobicContact CE1-CG 3.73Å; Y353-K357 HydrophobicContact CE2-CD 4.23Å; Y353-K357 VanDerWaalsContact CE2-CE 3.44Å; Y353-K357 HydrophobicContact CE2-CG 3.77Å; Y353-K357 HydrophobicContact CG-CG 4.27Å; Y353-K357 PolarHBondContact O-N 2.85Å; M355-K357 VanDerWaalsContact C-N 3.28Å; M355-K357 PolarHBondContact O-N 3.01Å; K357-L359 HydrophobicContact CB-CD2 3.96Å; K357-L359 HydrophobicContact CB-CG 4.03Å; K357-L359 PolarHBondContact O-N 3.13Å
358	G	97.1	Very high	97.9	Very high	39 Å²	39	26 Å²	26	40%	0.402	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	40.5	-174.3	0	0	0	0	0	111.7	S254 V354 M355	S254-G358 CarbonylContact C-O 3.6Å; S254-G358 VanDerWaalsContact CB-O 3.27Å; S254-G358 WeakPolarHBondContact CB-O 3.37Å; S254-G358 PolarHBondContact OG-O 2.64Å; V354-G358 PolarHBondContact O-N 3.34Å; M355-G358 PolarHBondContact O-N 3.08Å; M355-G358 VanDerWaalsContact O-N 3.15Å
359	L	98.3	Very high	97.9	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.037	15%	0.147	C	C	.	.			trans	-66.9	157.9	170.1	-58.5	-166.1	0	0	0	109.3	Y244 L248 S254 L257 Y353 V354 K357 G361	Y244-L359 HydrophobicContact CD1-CD1 3.48Å; Y244-L359 VanDerWaalsContact CD1-CD1 3.48Å; Y244-L359 HydrophobicContact CE1-CD1 3.81Å; Y244-L359 HydrophobicContact CG-CD1 4.28Å; L248-L359 HydrophobicContact CD2-CD2 4.41Å; S254-L359 WeakPolarHBondContact O-CA 3.35Å; L257-L359 HydrophobicContact CB-CD2 4.27Å; L257-L359 HydrophobicContact CD1-CD2 4.38Å; Y353-L359 HydrophobicContact CD1-CD1 4.4Å; Y353-L359 HydrophobicContact CE1-CD1 4.22Å; V354-L359 HydrophobicContact CB-CB 4.4Å; V354-L359 HydrophobicContact CB-CD1 4.5Å; V354-L359 HydrophobicContact CG1-CB 3.78Å; V354-L359 HydrophobicContact CG2-CD1 4.22Å; V354-L359 PolarHBondContact O-N 3.1Å; K357-L359 HydrophobicContact CB-CD2 3.96Å; K357-L359 HydrophobicContact CB-CG 4.03Å; K357-L359 PolarHBondContact O-N 3.13Å; L359-G361 PolarHBondContact O-N 3.15Å
360	R	97.7	Very high	97.9	Very high	44 Å²	44	24.6 Å²	24.6	17%	0.166	13%	0.134	C	C	.	.	S	Bend	trans	-68.4	-19.5	-175.2	-169.8	44.1	179.5	-143.7	-6	113.8	R66 F68 E69 L213 S254 N255 L257 L258	R66-R360 PolarHBondContact O-NE 2.63Å; R66-R360 PolarHBondContact O-NH1 3.11Å; R66-R360 VanDerWaalsContact O-NH1 3.11Å; R66-R360 PolarHBondContact O-NH2 3.02Å; F68-R360 CarbonylContact C-O 3.49Å; F68-R360 WeakPolarHBondContact CA-O 3.36Å; E69-R360 HydrophobicContact CG-CG 4.02Å; E69-R360 PolarHBondContact N-O 3.46Å; E69-R360 IonicContact OE1-NE 2.72Å; E69-R360 IonicContact OE1-NH2 2.88Å; L213-R360 HydrophobicContact CD2-CB 4.28Å; L213-R360 HydrophobicContact CD2-CG 3.34Å; S254-R360 PolarHBondContact O-N 2.97Å; N255-R360 VanDerWaalsContact O-CB 3.29Å; N255-R360 WeakPolarHBondContact O-CB 3.45Å; N255-R360 VanDerWaalsContact O-CG 3.31Å; N255-R360 WeakPolarHBondContact O-CG 3.06Å; L257-R360 WeakPolarHBondContact O-CB 3.11Å; L257-R360 PolarHBondContact O-N 3.3Å; L258-R360 HydrophobicContact CD2-CB 3.85Å; L258-R360 HydrophobicContact CD2-CG 4.03Å
361	G	98.1	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-170.9	-176.4	0	0	0	0	0	113.6	E69 L258 M259 V354 L359	E69-G361 CarbonylContact O-C 3.51Å; E69-G361 WeakPolarHBondContact O-CA 3.32Å; L258-G361 WeakPolarHBondContact CA-O 3.32Å; M259-G361 PolarHBondContact N-O 3.27Å; V354-G361 WeakPolarHBondContact CG1-O 3.31Å; L359-G361 PolarHBondContact O-N 3.15Å
362	I	98.6	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.5	180	-167.6	169.7	0	0	0	108.6	F68 E69 V70 F71 M259 V261 A351 V354 L389	F68-I362 HydrophobicContact CE1-CG2 3.98Å; F68-I362 HydrophobicContact CZ-CB 4.42Å; F68-I362 HydrophobicContact CZ-CG2 3.88Å; E69-I362 PolarHBondContact O-N 3.35Å; V70-I362 VanDerWaalsContact CA-O 3.26Å; V70-I362 WeakPolarHBondContact CA-O 3.43Å; F71-I362 PolarHBondContact N-O 3.37Å; M259-I362 HydrophobicContact CB-CG1 4.33Å; M259-I362 CarbonylContact O-C 3.52Å; M259-I362 WeakPolarHBondContact O-CA 3.21Å; M259-I362 WeakPolarHBondContact O-CG1 3.32Å; V261-I362 HydrophobicContact CG1-CD1 3.97Å; V261-I362 HydrophobicContact CG1-CG1 4.16Å; V261-I362 HydrophobicContact CG2-CD1 4.37Å; V261-I362 HydrophobicContact CG2-CG1 4.33Å; A351-I362 HydrophobicContact CB-CD1 3.94Å; V354-I362 HydrophobicContact CG2-CB 4.43Å; I362-L389 HydrophobicContact CD1-CD2 3.8Å; I362-L389 HydrophobicContact CG1-CD2 4.12Å; I362-L389 HydrophobicContact CG2-CB 3.9Å; I362-L389 HydrophobicContact CG2-CD2 4.19Å
363	G	98.4	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	170.5	176.7	0	0	0	0	0	111.7	F71 M259 G260 V261	F71-G363 CarbonylContact O-C 3.55Å; F71-G363 WeakPolarHBondContact O-CA 3.47Å; M259-G363 PolarHBondContact O-N 3.12Å; G260-G363 CarbonylContact C-O 3.56Å; G260-G363 WeakPolarHBondContact CA-O 3.49Å; V261-G363 WeakPolarHBondContact CG2-O 3.47Å; V261-G363 PolarHBondContact N-O 3.21Å
364	M	98.7	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.1	-166.7	70	-54.3	-52.5	0	0	113	V70 F71 V72 F73 V261 W263 N366 L389	V70-M364 HydrophobicContact CG1-CE 4.07Å; F71-M364 PolarHBondContact O-N 2.99Å; F71-M364 VanDerWaalsContact O-N 3.09Å; V72-M364 VanDerWaalsContact CA-SD 3.6Å; V72-M364 HydrophobicContact CB-SD 3.88Å; V72-M364 HydrophobicContact CG1-SD 3.86Å; V72-M364 HydrophobicContact CG2-CE 4.22Å; V72-M364 HydrophobicContact CG2-SD 3.66Å; F73-M364 WeakPolarHBondContact CD2-O 3.36Å; F73-M364 PolarHBondContact N-O 2.01Å; V261-M364 HydrophobicContact CG2-CB 4.1Å; V261-M364 VanDerWaalsContact O-CA 3.23Å; V261-M364 WeakPolarHBondContact O-CA 3.05Å; W263-M364 HydrophobicContact CD2-CB 3.91Å; W263-M364 HydrophobicContact CD2-CG 3.58Å; W263-M364 HydrophobicContact CE3-CB 4.48Å; W263-M364 HydrophobicContact CE3-CG 3.67Å; W263-M364 HydrophobicContact CG-CB 4.06Å; W263-M364 HydrophobicContact CG-CG 4.2Å; W263-M364 HydrophobicContact CH2-CG 3.88Å; W263-M364 HydrophobicContact CH2-SD 4.4Å; W263-M364 HydrophobicContact CZ2-CB 4.38Å; W263-M364 HydrophobicContact CZ2-CE 4.39Å; W263-M364 HydrophobicContact CZ2-CG 3.82Å; W263-M364 HydrophobicContact CZ3-CG 3.82Å; M364-N366 WeakPolarHBondContact O-CA 3.17Å; M364-L389 HydrophobicContact CE-CD1 3.52Å
365	W	98.4	Very high	97.5	Very high	40 Å²	40	37.3 Å²	37.3	15%	0.152	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.3	161.7	-173.5	-93.9	0	0	0	109.1	F73 V75 F94 Y219 V261 W263 Y264	F73-W365 HydrophobicContact CB-CE3 3.58Å; F73-W365 HydrophobicContact CB-CZ3 3.89Å; F73-W365 AromaticContact CD1-CE3 3.63Å; F73-W365 HydrophobicContact CD1-CE3 3.63Å; F73-W365 AromaticContact CD1-CZ3 3.5Å; F73-W365 HydrophobicContact CD1-CZ3 3.5Å; F73-W365 VanDerWaalsContact CD1-CZ3 3.5Å; F73-W365 HydrophobicContact CD2-CE3 4.27Å; F73-W365 HydrophobicContact CE1-CE3 4.37Å; F73-W365 HydrophobicContact CE1-CZ3 4.26Å; F73-W365 AromaticContact CG-CE3 3.55Å; F73-W365 HydrophobicContact CG-CE3 3.55Å; F73-W365 AromaticContact CG-CZ3 3.87Å; F73-W365 HydrophobicContact CG-CZ3 3.87Å; V75-W365 HydrophobicContact CG1-CH2 4.23Å; V75-W365 HydrophobicContact CG1-CZ2 4.34Å; F94-W365 AromaticContact CD1-CH2 3.54Å; F94-W365 HydrophobicContact CD1-CH2 3.54Å; F94-W365 AromaticContact CD1-CZ3 3.65Å; F94-W365 HydrophobicContact CD1-CZ3 3.65Å; F94-W365 AromaticContact CE1-CH2 3.77Å; F94-W365 HydrophobicContact CE1-CH2 3.77Å; F94-W365 AromaticContact CE1-CZ3 3.6Å; F94-W365 HydrophobicContact CE1-CZ3 3.6Å; F94-W365 HydrophobicContact CG-CH2 4.38Å; F94-W365 HydrophobicContact CG-CZ3 4.27Å; F94-W365 HydrophobicContact CZ-CZ3 4.2Å; Y219-W365 HydrophobicContact CD1-CB 4.46Å; Y219-W365 HydrophobicContact CE1-CB 3.72Å; Y219-W365 HydrophobicContact CE2-CB 4.22Å; V261-W365 PolarHBondContact O-N 3.09Å; V261-W365 VanDerWaalsContact O-N 3.11Å; W263-W365 PolarHBondContact N-O 3.17Å; Y264-W365 AromaticContact CD1-CD1 3.96Å; Y264-W365 WeakPolarHBondContact CD1-O 3.33Å; Y264-W365 HydrophobicContact CE1-CB 4.33Å; Y264-W365 AromaticContact CE1-CD1 3.55Å; Y264-W365 HydrophobicContact CE1-CG 4.32Å
366	N	98	Very high	97.5	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.053	21%	0.212	C	C	.	.			cis	-133.5	172.4	-13.6	63.5	58	0	0	0	109.7	F73 V75 W263 M364 N368 I369	F73-N366 HydrophobicContact CB-CB 4Å; F73-N366 WeakPolarHBondContact O-CB 3.45Å; V75-N366 HydrophobicContact CG1-CB 4.41Å; W263-N366 VanDerWaalsContact CE3-O 3.32Å; M364-N366 WeakPolarHBondContact O-CA 3.17Å; N366-N368 PolarHBondContact O-N 2.83Å; N366-N368 WeakPolarHBondContact OD1-CB 3.31Å; N366-N368 PolarHBondContact OD1-N 3.47Å; N366-N368 PolarHBondContact OD1-OD1 2.98Å; N366-I369 WeakPolarHBondContact O-CG1 2.96Å
367	G	97.4	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-65.5	-25.3	-175.8	0	0	0	0	0	114	F73 Y83 I369 Y372	F73-G367 PolarHBondContact O-N 3.44Å; Y83-G367 VanDerWaalsContact CE1-C 3.44Å; Y83-G367 WeakPolarHBondContact CE1-O 3.43Å; Y83-G367 VanDerWaalsContact OH-C 3.26Å; G367-I369 VanDerWaalsContact C-N 3.33Å; G367-I369 PolarHBondContact O-N 3.14Å; G367-Y372 WeakPolarHBondContact O-CE2 3.06Å; G367-Y372 PolarHBondContact O-OH 3.41Å
368	N	97.6	Very high	97.4	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.118	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-79.1	-12.4	-167.3	-51.5	77.6	0	0	0	114	D74 V75 G76 Y83 N366	D74-N368 WeakPolarHBondContact CA-OD1 3.41Å; D74-N368 PolarHBondContact OD2-ND2 3.34Å; D74-N368 PolarHBondContact OD2-OD1 2.67Å; V75-N368 HydrophobicContact CG2-CB 3.88Å; V75-N368 WeakPolarHBondContact CG2-OD1 3.49Å; V75-N368 PolarHBondContact N-OD1 3.01Å; G76-N368 PolarHBondContact O-ND2 2.81Å; Y83-N368 PolarHBondContact OH-N 2.96Å; Y83-N368 PolarHBondContact OH-ND2 3.06Å; Y83-N368 PolarHBondContact OH-OD1 3.45Å; N366-N368 PolarHBondContact O-N 2.83Å; N366-N368 WeakPolarHBondContact OD1-CB 3.31Å; N366-N368 PolarHBondContact OD1-N 3.47Å; N366-N368 PolarHBondContact OD1-OD1 2.98Å
369	I	97.1	Very high	97.4	Very high	32 Å²	32	37.9 Å²	37.9	16%	0.164	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-103.5	8	-162.9	54	170.7	0	0	0	115.6	W263 Y264 K302 N366 G367	W263-I369 HydrophobicContact CB-CD1 3.99Å; W263-I369 HydrophobicContact CB-CG1 4.05Å; W263-I369 WeakPolarHBondContact O-CD1 3.42Å; Y264-I369 HydrophobicContact CD1-CD1 4.36Å; K302-I369 WeakPolarHBondContact CB-O 3.33Å; K302-I369 PolarHBondContact N-O 2.7Å; N366-I369 WeakPolarHBondContact O-CG1 2.96Å; G367-I369 VanDerWaalsContact C-N 3.33Å; G367-I369 PolarHBondContact O-N 3.14Å
370	L	97.9	Very high	97.4	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.22	C	C	.	.	S	Bend	trans	-80.8	171.3	165.2	-55.1	-174.3	0	0	0	111.7	W263 Y301 Y372 T382 M385	W263-L370 HydrophobicContact CB-CD2 4.23Å; W263-L370 HydrophobicContact CD2-CD1 4.21Å; W263-L370 HydrophobicContact CD2-CD2 3.95Å; W263-L370 HydrophobicContact CD2-CG 4.15Å; W263-L370 HydrophobicContact CE3-CD1 3.6Å; W263-L370 HydrophobicContact CE3-CD2 3.76Å; W263-L370 HydrophobicContact CE3-CG 3.46Å; W263-L370 VanDerWaalsContact CE3-CG 3.46Å; W263-L370 HydrophobicContact CG-CD2 4.2Å; W263-L370 HydrophobicContact CH2-CD1 3.75Å; W263-L370 HydrophobicContact CZ2-CD1 4.31Å; W263-L370 HydrophobicContact CZ3-CD1 3.36Å; W263-L370 HydrophobicContact CZ3-CD2 4.4Å; W263-L370 HydrophobicContact CZ3-CG 3.7Å; Y301-L370 HydrophobicContact CD1-CD2 3.85Å; Y301-L370 HydrophobicContact CG-CD2 4.07Å; L370-Y372 HydrophobicContact CB-CD2 4.23Å; L370-Y372 HydrophobicContact CB-CE2 3.68Å; L370-Y372 HydrophobicContact CG-CE2 4.48Å; L370-T382 HydrophobicContact CB-CG2 4.45Å; L370-T382 HydrophobicContact CD1-CG2 4Å; L370-M385 HydrophobicContact CD1-CB 3.86Å; L370-M385 HydrophobicContact CD1-CG 4.49Å; L370-M385 HydrophobicContact CD2-CB 4.22Å; L370-M385 HydrophobicContact CD2-CE 4.36Å; L370-M385 HydrophobicContact CD2-CG 4.06Å
371	D	97.6	Very high	97.4	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	22%	0.221	C	C	.	.			trans	-97.1	98	173.7	-157.4	-19	0	0	0	111.1	K302 K306 S373 A378 T382	K302-D371 HydrophobicContact CB-CB 4.07Å; K302-D371 HydrophobicContact CD-CB 3.81Å; K302-D371 VanDerWaalsContact CE-CG 3.43Å; K302-D371 WeakPolarHBondContact CE-OD2 3.42Å; K302-D371 HydrophobicContact CG-CB 3.77Å; K302-D371 VanDerWaalsContact NZ-CG 3.25Å; K302-D371 IonicContact NZ-OD1 2.78Å; K302-D371 PolarHBondContact NZ-OD1 3.32Å; K302-D371 IonicContact NZ-OD2 3.14Å; K302-D371 PolarHBondContact NZ-OD2 3.2Å; K306-D371 WeakPolarHBondContact CE-OD2 3.49Å; K306-D371 IonicContact NZ-OD2 2.97Å; D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 3.35Å; D371-S373 WeakPolarHBondContact OD1-CB 3.03Å; D371-S373 PolarHBondContact OD1-N 3.35Å; D371-S373 PolarHBondContact OD1-OG 3.09Å; D371-A378 HydrophobicContact CB-CB 3.89Å; D371-T382 PolarHBondContact O-OG1 3.16Å
372	Y	97.4	Very high	97.4	Very high	44 Å²	44	44 Å²	44	17%	0.173	23%	0.225	C	C	.	.			trans	-91.5	23.9	178.7	-61.2	-84.4	0	0	0	113.3	T79 S82 Y83 G367 L370 T382 W386	T79-Y372 HydrophobicContact CG2-CD2 3.17Å; T79-Y372 HydrophobicContact CG2-CE2 3.3Å; T79-Y372 HydrophobicContact CG2-CG 4.1Å; S82-Y372 WeakPolarHBondContact O-CD1 3.48Å; S82-Y372 VanDerWaalsContact O-CE1 3.25Å; S82-Y372 WeakPolarHBondContact O-CE1 3.41Å; Y83-Y372 HydrophobicContact CD1-CE1 4.3Å; Y83-Y372 HydrophobicContact CD1-CE2 4.4Å; Y83-Y372 AromaticContact CD1-CZ 3.78Å; Y83-Y372 VanDerWaalsContact CD1-OH 3.32Å; Y83-Y372 WeakPolarHBondContact CD1-OH 3.04Å; Y83-Y372 HydrophobicContact CE1-CE2 4.23Å; G367-Y372 WeakPolarHBondContact O-CE2 3.06Å; G367-Y372 PolarHBondContact O-OH 3.41Å; L370-Y372 HydrophobicContact CB-CD2 4.23Å; L370-Y372 HydrophobicContact CB-CE2 3.68Å; L370-Y372 HydrophobicContact CG-CE2 4.48Å; Y372-T382 HydrophobicContact CD1-CG2 3.66Å; Y372-T382 HydrophobicContact CE1-CG2 3.46Å; Y372-T382 VanDerWaalsContact CE1-CG2 3.46Å; Y372-W386 AromaticContact CE1-NE1 3.93Å; Y372-W386 PolarHBondContact OH-NE1 3.04Å
373	S	96.6	Very high	97.3	Very high	47 Å²	47	46.2 Å²	46.2	33%	0.329	24%	0.243	S	C	.	.	S	Bend	trans	-75.2	164.5	173	58.9	0	0	0	0	112.1	D371 D375 R379	D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 3.35Å; D371-S373 WeakPolarHBondContact OD1-CB 3.03Å; D371-S373 PolarHBondContact OD1-N 3.35Å; D371-S373 PolarHBondContact OD1-OG 3.09Å; S373-D375 PolarHBondContact O-N 2.99Å; S373-R379 WeakPolarHBondContact O-CG 3.33Å
374	D	95.3	Very high	97.3	Very high	142 Å²	142	49.8 Å²	49.8	76%	0.759	26%	0.262	S	S	*	.	S	Bend	trans	-72.7	-2.9	179.7	-67.4	-44	0	0	0	114.2	R379	D374-R379 PolarHBondContact O-NE 3.29Å
375	D	96.6	Very high	97.3	Very high	82 Å²	82	49.8 Å²	49.8	44%	0.439	26%	0.262	S	S	.	.			trans	-55.3	128.3	175.6	175.8	-93.8	0	0	0	110.6	S373 V377 A378 R379	S373-D375 PolarHBondContact O-N 2.99Å; D375-V377 VanDerWaalsContact C-N 3.28Å; D375-V377 PolarHBondContact O-N 3.18Å; D375-V377 WeakPolarHBondContact OD1-CA 3.39Å; D375-V377 WeakPolarHBondContact OD1-CB 3.24Å; D375-V377 PolarHBondContact OD1-N 2.96Å; D375-A378 HydrophobicContact CB-CB 3.87Å; D375-A378 PolarHBondContact O-N 3.27Å; D375-A378 PolarHBondContact OD1-N 2.93Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 2.67Å
376	P	96.6	Very high	97.3	Very high	88 Å²	88	48.1 Å²	48.1	57%	0.571	26%	0.255	S	S	*	.	H	α-helix	trans	-58.7	-36.5	-175.7	-26.6	35	0	0	0	114.2	Q380	P376-Q380 PolarHBondContact O-N 2.84Å; P376-Q380 VanDerWaalsContact O-N 3.11Å
377	V	95.7	Very high	97.2	Very high	73 Å²	73	50.2 Å²	50.2	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-72.1	-44.7	179.6	179.8	0	0	0	0	109.7	D375 R379 Q380 Q381	D375-V377 VanDerWaalsContact C-N 3.28Å; D375-V377 PolarHBondContact O-N 3.18Å; D375-V377 WeakPolarHBondContact OD1-CA 3.39Å; D375-V377 WeakPolarHBondContact OD1-CB 3.24Å; D375-V377 PolarHBondContact OD1-N 2.96Å; V377-R379 PolarHBondContact O-N 3.16Å; V377-Q380 PolarHBondContact O-N 2.03Å; V377-Q381 HydrophobicContact CG1-CG 4.32Å; V377-Q381 WeakPolarHBondContact O-CB 3.4Å; V377-Q381 VanDerWaalsContact O-CG 3.3Å; V377-Q381 WeakPolarHBondContact O-CG 3.47Å; V377-Q381 PolarHBondContact O-N 3.36Å
378	A	96.9	Very high	97.3	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-45	174.9	0	0	0	0	0	112.2	D371 D375 Q380 Q381 T382	D371-A378 HydrophobicContact CB-CB 3.89Å; D375-A378 HydrophobicContact CB-CB 3.87Å; D375-A378 PolarHBondContact O-N 3.27Å; D375-A378 PolarHBondContact OD1-N 2.93Å; A378-Q380 PolarHBondContact O-N 2.93Å; A378-Q381 PolarHBondContact O-N 3.42Å; A378-T382 WeakPolarHBondContact O-CB 3.43Å; A378-T382 PolarHBondContact O-N 3.14Å; A378-T382 PolarHBondContact O-OG1 2.57Å; A378-T382 VanDerWaalsContact O-OG1 3.13Å
379	R	97.3	Very high	97.2	Very high	143 Å²	143	49.3 Å²	49.3	54%	0.54	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-44.1	176.6	-73.8	-168.7	-69.2	163.4	-0.4	112.1	S373 D374 D375 V377 A383	S373-R379 WeakPolarHBondContact O-CG 3.33Å; D374-R379 PolarHBondContact O-NE 3.29Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 2.67Å; V377-R379 PolarHBondContact O-N 3.16Å; R379-A383 WeakPolarHBondContact O-CB 3.46Å; R379-A383 PolarHBondContact O-N 3.04Å
380	Q	97.3	Very high	97	Very high	126 Å²	126	50.6 Å²	50.6	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-63.4	-48.4	176.8	-174.3	179.6	21.5	0	0	111.4	P376 V377 A378 T382 A383 L384	P376-Q380 PolarHBondContact O-N 2.84Å; P376-Q380 VanDerWaalsContact O-N 3.11Å; V377-Q380 PolarHBondContact O-N 2.03Å; A378-Q380 PolarHBondContact O-N 2.93Å; Q380-T382 VanDerWaalsContact C-N 3.35Å; Q380-T382 PolarHBondContact O-N 2.87Å; Q380-A383 PolarHBondContact O-N 2.85Å; Q380-L384 HydrophobicContact CG-CD1 4.15Å; Q380-L384 VanDerWaalsContact O-CG 3.32Å; Q380-L384 WeakPolarHBondContact O-CG 3.2Å; Q380-L384 PolarHBondContact O-N 2.69Å
381	Q	97.1	Very high	96.6	Very high	41 Å²	41	50.4 Å²	50.4	19%	0.192	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-45.6	178.7	-74.5	174.8	-12.7	0	0	111.8	Y301 V377 A378 L384 M385	Y301-Q381 HydrophobicContact CE1-CB 4.34Å; V377-Q381 HydrophobicContact CG1-CG 4.32Å; V377-Q381 WeakPolarHBondContact O-CB 3.4Å; V377-Q381 VanDerWaalsContact O-CG 3.3Å; V377-Q381 WeakPolarHBondContact O-CG 3.47Å; V377-Q381 PolarHBondContact O-N 3.36Å; A378-Q381 PolarHBondContact O-N 3.42Å; Q381-L384 PolarHBondContact O-N 3.23Å; Q381-M385 WeakPolarHBondContact O-CG 3.32Å; Q381-M385 PolarHBondContact O-N 2.74Å
382	T	97.9	Very high	95.8	Very high	14 Å²	14	53 Å²	53	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-45.4	177	-70	0	0	0	0	111.5	L370 D371 Y372 A378 Q380 L384 M385 W386	L370-T382 HydrophobicContact CB-CG2 4.45Å; L370-T382 HydrophobicContact CD1-CG2 4Å; D371-T382 PolarHBondContact O-OG1 3.16Å; Y372-T382 HydrophobicContact CD1-CG2 3.66Å; Y372-T382 HydrophobicContact CE1-CG2 3.46Å; Y372-T382 VanDerWaalsContact CE1-CG2 3.46Å; A378-T382 WeakPolarHBondContact O-CB 3.43Å; A378-T382 PolarHBondContact O-N 3.14Å; A378-T382 PolarHBondContact O-OG1 2.57Å; A378-T382 VanDerWaalsContact O-OG1 3.13Å; Q380-T382 VanDerWaalsContact C-N 3.35Å; Q380-T382 PolarHBondContact O-N 2.87Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 3.12Å; T382-M385 PolarHBondContact O-N 3.07Å; T382-W386 VanDerWaalsContact O-CD1 3.28Å; T382-W386 PolarHBondContact O-N 3.09Å; T382-W386 VanDerWaalsContact O-N 3.15Å
383	A	97.9	Very high	94.1	Very high	46 Å²	46	60.2 Å²	60.2	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-42.2	176.7	0	0	0	0	0	112	R379 Q380 W386 N387	R379-A383 WeakPolarHBondContact O-CB 3.46Å; R379-A383 PolarHBondContact O-N 3.04Å; Q380-A383 PolarHBondContact O-N 2.85Å; A383-W386 PolarHBondContact O-N 3.41Å; A383-N387 WeakPolarHBondContact O-CB 3.28Å; A383-N387 VanDerWaalsContact O-CG 3.24Å; A383-N387 PolarHBondContact O-N 2.91Å; A383-N387 PolarHBondContact O-OD1 2.97Å
384	L	97.8	Very high	91.7	Very high	74 Å²	74	63.6 Å²	63.6	39%	0.387	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-37.8	177.8	-68.4	171.1	0	0	0	112.6	P344 Q380 Q381 T382 N387 A388	P344-L384 HydrophobicContact CB-CB 4.19Å; P344-L384 HydrophobicContact CG-CB 3.58Å; Q380-L384 HydrophobicContact CG-CD1 4.15Å; Q380-L384 VanDerWaalsContact O-CG 3.32Å; Q380-L384 WeakPolarHBondContact O-CG 3.2Å; Q380-L384 PolarHBondContact O-N 2.69Å; Q381-L384 PolarHBondContact O-N 3.23Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 3.12Å; L384-N387 PolarHBondContact O-N 3.22Å; L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 3.44Å
385	M	98.3	Very high	89	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-40.5	176.1	-71.4	-63.3	-70.8	0	0	112.2	W263 Y301 P344 L347 L370 Q381 T382	W263-M385 VanDerWaalsContact CD1-CE 3.42Å; W263-M385 HydrophobicContact CD2-CE 4.46Å; W263-M385 HydrophobicContact CG-CE 3.91Å; Y301-M385 HydrophobicContact CD1-CG 4.14Å; Y301-M385 HydrophobicContact CD2-CE 3.94Å; Y301-M385 HydrophobicContact CD2-SD 4.16Å; Y301-M385 HydrophobicContact CE1-CG 3.71Å; Y301-M385 HydrophobicContact CE1-SD 4.02Å; Y301-M385 HydrophobicContact CE2-CE 4.01Å; Y301-M385 HydrophobicContact CE2-CG 4.41Å; Y301-M385 HydrophobicContact CE2-SD 3.64Å; Y301-M385 HydrophobicContact CG-CE 4.28Å; Y301-M385 VanDerWaalsContact CZ-SD 3.55Å; P344-M385 HydrophobicContact CG-CG 4.49Å; P344-M385 HydrophobicContact CG-SD 3.92Å; L347-M385 HydrophobicContact CD1-CE 3.53Å; L347-M385 HydrophobicContact CD1-SD 4.14Å; L370-M385 HydrophobicContact CD1-CB 3.86Å; L370-M385 HydrophobicContact CD1-CG 4.49Å; L370-M385 HydrophobicContact CD2-CB 4.22Å; L370-M385 HydrophobicContact CD2-CE 4.36Å; L370-M385 HydrophobicContact CD2-CG 4.06Å; Q381-M385 WeakPolarHBondContact O-CG 3.32Å; Q381-M385 PolarHBondContact O-N 2.74Å; T382-M385 PolarHBondContact O-N 3.07Å
386	W	98.1	Very high	88.7	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-47.8	172.4	-80.4	104.1	0	0	0	111.4	V70 V72 Y83 N84 M87 V88 W263 Y372 T382 A383 A388 L389	V70-W386 HydrophobicContact CG1-CZ3 4.21Å; V72-W386 HydrophobicContact CG2-CH2 3.95Å; V72-W386 HydrophobicContact CG2-CZ3 4.35Å; Y83-W386 HydrophobicContact CD1-CZ2 4.02Å; Y83-W386 HydrophobicContact CG-CH2 4.35Å; Y83-W386 AromaticContact CG-CZ2 3.91Å; Y83-W386 HydrophobicContact CG-CZ2 3.91Å; N84-W386 HydrophobicContact CB-CB 4.22Å; N84-W386 HydrophobicContact CB-CD2 3.54Å; N84-W386 HydrophobicContact CB-CE3 3.85Å; N84-W386 HydrophobicContact CB-CG 3.71Å; N84-W386 HydrophobicContact CB-CZ3 4.48Å; M87-W386 VanDerWaalsContact CE-O 3.31Å; M87-W386 WeakPolarHBondContact CE-O 3.43Å; M87-W386 HydrophobicContact SD-CB 4.08Å; M87-W386 HydrophobicContact SD-CE3 4.09Å; V88-W386 HydrophobicContact CG2-CH2 3.74Å; V88-W386 HydrophobicContact CG2-CZ3 3.94Å; W263-W386 AromaticContact CH2-CD2 3.73Å; W263-W386 HydrophobicContact CH2-CD2 3.73Å; W263-W386 AromaticContact CH2-CE2 3.53Å; W263-W386 HydrophobicContact CH2-CE3 4.03Å; W263-W386 HydrophobicContact CH2-CG 4.29Å; W263-W386 AromaticContact CH2-CH2 3.98Å; W263-W386 HydrophobicContact CH2-CH2 3.98Å; W263-W386 AromaticContact CH2-CZ2 3.67Å; W263-W386 HydrophobicContact CH2-CZ2 3.67Å; W263-W386 HydrophobicContact CH2-CZ3 4.15Å; W263-W386 AromaticContact CH2-NE1 3.93Å; W263-W386 HydrophobicContact CZ2-CD2 4.4Å; W263-W386 HydrophobicContact CZ3-CZ2 4.04Å; Y372-W386 AromaticContact CE1-NE1 3.93Å; Y372-W386 PolarHBondContact OH-NE1 3.04Å; T382-W386 VanDerWaalsContact O-CD1 3.28Å; T382-W386 PolarHBondContact O-N 3.09Å; T382-W386 VanDerWaalsContact O-N 3.15Å; A383-W386 PolarHBondContact O-N 3.41Å; W386-A388 VanDerWaalsContact C-N 3.27Å; W386-A388 PolarHBondContact O-N 3.08Å; W386-L389 HydrophobicContact CE3-CD1 4.03Å; W386-L389 HydrophobicContact CZ3-CD1 4.31Å; W386-L389 WeakPolarHBondContact O-CB 3.45Å; W386-L389 WeakPolarHBondContact O-CG 3.42Å; W386-L389 PolarHBondContact O-N 3.43Å; W386-L389 VanDerWaalsContact O-N 3.14Å
387	N	97.4	Very high	88.3	Confident	54 Å²	54	59.2 Å²	59.2	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-30.9	-178.8	-71.4	-3.1	0	0	0	112.9	A383 L384 L389 L390	A383-N387 WeakPolarHBondContact O-CB 3.28Å; A383-N387 VanDerWaalsContact O-CG 3.24Å; A383-N387 PolarHBondContact O-N 2.91Å; A383-N387 PolarHBondContact O-OD1 2.97Å; L384-N387 PolarHBondContact O-N 3.22Å; N387-L389 PolarHBondContact O-N 3.33Å; N387-L389 VanDerWaalsContact O-N 3.1Å; N387-L390 WeakPolarHBondContact O-CB 3.4Å; N387-L390 PolarHBondContact O-N 2.7Å
388	A	97.9	Very high	87.8	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.017	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-59.3	-23.3	176.9	0	0	0	0	0	113.1	P344 L347 A351 L384 W386 L390 G391	P344-A388 HydrophobicContact CB-CB 4.11Å; L347-A388 HydrophobicContact CB-CB 3.88Å; A351-A388 VanDerWaalsContact CB-O 3.3Å; A351-A388 WeakPolarHBondContact CB-O 3.4Å; L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 3.44Å; W386-A388 VanDerWaalsContact C-N 3.27Å; W386-A388 PolarHBondContact O-N 3.08Å; A388-L390 PolarHBondContact O-N 2.9Å; A388-G391 PolarHBondContact O-N 2.83Å
389	L	97.1	Very high	87.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-70.9	-14.5	175.1	-55	179.1	0	0	0	113.3	V70 M87 V261 W263 I362 M364 W386 N387	V70-L389 HydrophobicContact CG1-CD1 4.04Å; M87-L389 HydrophobicContact CE-CB 4.15Å; V261-L389 HydrophobicContact CG2-CD2 4.02Å; W263-L389 HydrophobicContact CZ2-CD1 4.04Å; I362-L389 HydrophobicContact CD1-CD2 3.8Å; I362-L389 HydrophobicContact CG1-CD2 4.12Å; I362-L389 HydrophobicContact CG2-CB 3.9Å; I362-L389 HydrophobicContact CG2-CD2 4.19Å; M364-L389 HydrophobicContact CE-CD1 3.52Å; W386-L389 HydrophobicContact CE3-CD1 4.03Å; W386-L389 HydrophobicContact CZ3-CD1 4.31Å; W386-L389 WeakPolarHBondContact O-CB 3.45Å; W386-L389 WeakPolarHBondContact O-CG 3.42Å; W386-L389 PolarHBondContact O-N 3.43Å; W386-L389 VanDerWaalsContact O-N 3.14Å; N387-L389 PolarHBondContact O-N 3.33Å; N387-L389 VanDerWaalsContact O-N 3.1Å
390	L	92.1	Very high	86.7	Confident	59 Å²	59	56.6 Å²	56.6	31%	0.309	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-89.6	-4.1	176	-59.6	175.7	0	0	0	112.9	M87 M355 N387 A388 L394	M87-L390 HydrophobicContact CE-CD1 3.98Å; M87-L390 HydrophobicContact CE-CD2 3.54Å; M87-L390 HydrophobicContact CE-CG 3.48Å; M87-L390 VanDerWaalsContact CE-CG 3.48Å; M355-L390 VanDerWaalsContact CE-O 3.26Å; M355-L390 WeakPolarHBondContact CE-O 2.97Å; N387-L390 WeakPolarHBondContact O-CB 3.4Å; N387-L390 PolarHBondContact O-N 2.7Å; A388-L390 PolarHBondContact O-N 2.9Å; L390-L394 HydrophobicContact CB-CB 3.76Å; L390-L394 HydrophobicContact CB-CD1 3.97Å; L390-L394 HydrophobicContact CD1-CB 4.45Å
391	G	89.3	Confident	86	Confident	1 Å²	1	52 Å²	52	1%	0.01	31%	0.312	C	S	.	.			trans	76.2	177.9	-176.2	0	0	0	0	0	114.4	S348 D352 A388 K393	S348-G391 WeakPolarHBondContact O-CA 3.11Å; D352-G391 VanDerWaalsContact OD1-CA 3.32Å; D352-G391 WeakPolarHBondContact OD1-CA 3.23Å; A388-G391 PolarHBondContact O-N 2.83Å; G391-K393 PolarHBondContact O-N 3.42Å
392	S	81.1	Confident	85.2	Confident	68 Å²	68	52.8 Å²	52.8	48%	0.476	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.4	-165.5	-45.9	0	0	0	0	113.9	S348 D352	S348-S392 WeakPolarHBondContact CB-OG 3.2Å; D352-S392 PolarHBondContact OD1-N 2.87Å; D352-S392 WeakPolarHBondContact OD2-CB 3.37Å; D352-S392 PolarHBondContact OD2-N 2.87Å; D352-S392 PolarHBondContact OD2-OG 2Å
393	K	61.5	Low	84.2	Confident	194 Å²	194	55.8 Å²	55.8	84%	0.843	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.1	-177	-68.3	-175	-180	176.9	0	114.3	G391	G391-K393 PolarHBondContact O-N 3.42Å
394	L	47.5	Very low	83.1	Confident	118 Å²	118	56.6 Å²	56.6	62%	0.618	34%	0.336	S	S	*	.			trans	-117.9	-1.4	-175.7	-70.7	172.8	0	0	0	113.2	L390	L390-L394 HydrophobicContact CB-CB 3.76Å; L390-L394 HydrophobicContact CB-CD1 3.97Å; L390-L394 HydrophobicContact CD1-CB 4.45Å
395	G	38.6	Very low	81.7	Confident	102 Å²	102	55 Å²	55	100%	1.052	33%	0.331	S	S	*	.			trans	-98	0	-176.1	0	0	0	0	0	115.2

Retrieved 395 of 395 residues in 1463.9 ms (Link to these results)

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