D3ZYE1_RAT Loading...

Ubiquitin-conjugating enzyme E2E 2

AlphaFold DB (Q96LR5), UniProt , Accession D3ZYE1, Species RAT (Rattus norvegicus, Rat), Gene Ube2e2, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.1	Low	58.8	Low	245 Å²	245	152.9 Å²	152.9	100%	1.207	82%	0.824	S	S	*	*				0	120.6	0	-61.6	-167.4	171.5	0	0	107.2
2	S	57.2	Low	58.9	Low	110 Å²	110	150.1 Å²	150.1	77%	0.769	82%	0.82	S	S	*	*			cis	-154	137.2	-17.6	-71.8	0	0	0	0	104.6
3	T	52.7	Low	58.5	Low	145 Å²	145	147.5 Å²	147.5	89%	0.89	82%	0.82	S	S	*	*			trans	-111.3	125.1	172.8	39.2	0	0	0	0	108.5
4	E	62.4	Low	58.7	Low	185 Å²	185	147.9 Å²	147.9	86%	0.864	83%	0.828	S	S	*	*			trans	-139.4	115.9	163.5	-95.3	172.2	99.8	0	0	105.9
5	A	55.6	Low	58.2	Low	84 Å²	84	146.5 Å²	146.5	69%	0.694	83%	0.832	S	S	*	*				79.4	117.7	64.2	0	0	0	0	0	112.8
6	Q	64	Low	58.2	Low	197 Å²	197	142.4 Å²	142.4	92%	0.921	83%	0.832	S	S	*	*				175.9	139.4	114.6	-93	172.4	-30.5	0	0	113.2
7	R	53.9	Low	58.2	Low	230 Å²	230	138.8 Å²	138.8	87%	0.868	83%	0.833	S	S	*	*			trans	-77	176.6	168.8	-64	175.8	177.9	155.5	-1.9	108.9
8	V	64	Low	57.6	Low	115 Å²	115	137.8 Å²	137.8	70%	0.697	83%	0.833	S	S	*	*				-178	154.6	67.2	-123.8	0	0	0	0	112.5
9	D	57.5	Low	58	Low	137 Å²	137	137.1 Å²	137.1	73%	0.733	84%	0.835	S	S	*	*			trans	60.3	153.4	142.4	-61.3	-25.7	0	0	0	121.9
10	D	57.1	Low	57.5	Low	130 Å²	130	138.8 Å²	138.8	70%	0.695	84%	0.839	S	S	*	*			cis	-164.4	152.2	7.3	-138	-47.5	0	0	0	111.9
11	S	66.4	Low	57.4	Low	104 Å²	104	136.1 Å²	136.1	73%	0.727	84%	0.839	S	S	*	*			trans	48.2	141.8	146.7	-69.9	0	0	0	0	126.9
12	P	60.4	Low	57	Low	119 Å²	119	131.9 Å²	131.9	77%	0.773	82%	0.822	S	S	*	*			trans	-113.5	168.8	168.8	40.8	-29.5	0	0	0	115.1
13	S	52.8	Low	56.9	Low	117 Å²	117	135.8 Å²	135.8	82%	0.818	83%	0.828	S	S	*	*			trans	130.6	129.3	146.8	68.6	0	0	0	0	115.5
14	T	61.8	Low	56.7	Low	152 Å²	152	139.1 Å²	139.1	93%	0.933	82%	0.824	S	S	*	*			trans	-154.4	143.6	142.7	49.5	0	0	0	0	110.1
15	S	51	Low	55.7	Low	128 Å²	128	137.8 Å²	137.8	90%	0.895	82%	0.818	S	S	*	*			trans	-116	161	-176.9	49.2	0	0	0	0	110.9
16	G	58	Low	55.5	Low	81 Å²	81	139.8 Å²	139.8	84%	0.835	83%	0.827	S	S	*	*			trans	151.3	136	167.2	0	0	0	0	0	111.2
17	G	58.4	Low	54.5	Low	81 Å²	81	136.7 Å²	136.7	84%	0.835	82%	0.821	S	S	*	*			cis	-168.2	169.7	1	0	0	0	0	0	110.2
18	S	47.4	Very low	54.3	Low	120 Å²	120	135 Å²	135	84%	0.839	82%	0.823	S	S	*	*			trans	-101.5	156.5	177.8	-58.5	0	0	0	0	111.9
19	S	65.5	Low	53.2	Low	125 Å²	125	137.6 Å²	137.6	87%	0.874	83%	0.828	S	S	*	*			trans	-156.2	113.9	153.4	-78.2	0	0	0	0	110.7
20	D	47.5	Very low	52.5	Low	171 Å²	171	139 Å²	139	91%	0.914	83%	0.83	S	S	*	*			trans	-89.7	147.6	162.9	-79.2	-45.2	0	0	0	109.7
21	G	56.8	Low	51.9	Low	82 Å²	82	137.5 Å²	137.5	85%	0.845	83%	0.827	S	S	*	*			trans	-144.8	108.5	170.7	0	0	0	0	0	110.1
22	D	46.5	Very low	50.6	Low	157 Å²	157	141.8 Å²	141.8	84%	0.84	84%	0.836	S	S	*	*			trans	-118.8	125.6	-177.6	-160.9	4.5	0	0	0	108.7
23	Q	56.1	Low	50.1	Low	192 Å²	192	148.3 Å²	148.3	90%	0.897	85%	0.845	S	S	*	*			trans	-146.9	100.3	168.5	-75.6	-166.3	35.1	0	0	111.9
24	R	47.2	Very low	49.7	Very low	214 Å²	214	150.5 Å²	150.5	81%	0.808	84%	0.842	S	S	*	*				35.4	126	129.8	-70.6	-172.1	-179.2	-159	1.1	123.2
25	E	43	Very low	48.9	Very low	157 Å²	157	150.7 Å²	150.7	73%	0.734	83%	0.833	S	S	*	*				66	114.3	125.9	-65	178.8	140.5	0	0	121.6
26	S	49.6	Very low	48.7	Very low	127 Å²	127	151.1 Å²	151.1	89%	0.888	83%	0.83	S	S	*	*				-172	132.5	117.8	26.8	0	0	0	0	111.6
27	V	42.9	Very low	48.3	Very low	132 Å²	132	155.7 Å²	155.7	80%	0.8	83%	0.829	S	S	*	*			trans	-100.2	129.7	-177.3	170.8	0	0	0	0	109.4
28	Q	50.8	Low	47.9	Very low	195 Å²	195	157.4 Å²	157.4	91%	0.911	83%	0.825	S	S	*	*			trans	-145.1	117.9	154.8	-69.2	-170.8	-3.7	0	0	110.7
29	Q	41.3	Very low	48	Very low	168 Å²	168	160.7 Å²	160.7	79%	0.785	83%	0.825	S	S	*	*			trans	-68.3	153.9	158.9	-77.4	166.2	-20	0	0	108.6
30	E	42.8	Very low	47	Very low	168 Å²	168	164.3 Å²	164.3	79%	0.785	83%	0.825	S	S	*	*			cis	-178.9	-171.4	35.9	-125	170.9	-156.3	0	0	105.5
31	P	43.1	Very low	47.1	Very low	98 Å²	98	165.5 Å²	165.5	64%	0.636	82%	0.822	S	S	*	*			cis	-131.4	163.4	-21.1	30.6	-9.2	0	0	0	114.7
32	E	40.4	Very low	46.3	Very low	194 Å²	194	170.3 Å²	170.3	91%	0.907	82%	0.822	S	S	*	*			trans	27.1	112	147.8	-62	-178.9	133.2	0	0	121.1
33	R	49.1	Very low	46	Very low	256 Å²	256	166 Å²	166	97%	0.966	82%	0.815	S	S	*	*			trans	-126	121.5	149.2	-104.8	-175.5	-178.4	-161.8	1.1	111
34	E	45.7	Very low	45.4	Very low	163 Å²	163	166.1 Å²	166.1	76%	0.762	81%	0.813	S	S	*	*			trans	-56.9	146.1	175	-92.8	-174.3	115.7	0	0	115.1
35	Q	43.3	Very low	45.5	Very low	156 Å²	156	163.5 Å²	163.5	73%	0.729	81%	0.813	S	S	*	*			trans	71.4	109.8	144.5	-64.2	172	37.4	0	0	118.4
36	V	48	Very low	45.4	Very low	137 Å²	137	160.2 Å²	160.2	83%	0.83	81%	0.807	S	S	*	*				-169.4	114.3	102	171.6	0	0	0	0	108
37	Q	48.5	Very low	45.2	Very low	176 Å²	176	159.7 Å²	159.7	82%	0.822	80%	0.804	S	S	*	*			trans	-69.4	127.9	171.6	-67.7	178.6	18.9	0	0	110.1	K39	Q37-K39 PolarHBondContact O-N 2.82Å; Q37-K39 VanDerWaalsContact O-N 3.14Å
38	P	50.1	Low	44.9	Very low	117 Å²	117	162 Å²	162	76%	0.76	80%	0.803	S	S	*	*			trans	-75.7	105.3	164.2	30.2	-27.6	0	0	0	107.3	K40	P38-K40 VanDerWaalsContact C-N 3.33Å; P38-K40 PolarHBondContact O-N 2.84Å
39	K	49.5	Very low	44.5	Very low	190 Å²	190	158.8 Å²	158.8	83%	0.826	80%	0.797	S	S	*	*			trans	-55.4	101.3	162.2	-78.4	-176.2	176.1	179	0	107.5	Q37 K41	Q37-K39 PolarHBondContact O-N 2.82Å; Q37-K39 VanDerWaalsContact O-N 3.14Å; K39-K41 PolarHBondContact O-N 3.14Å
40	K	45.9	Very low	44.9	Very low	200 Å²	200	155.3 Å²	155.3	87%	0.87	80%	0.797	S	S	*	*			trans	-57.8	94.1	161.5	-88.5	-179.2	174.8	176.5	0	106.5	P38 E42	P38-K40 VanDerWaalsContact C-N 3.33Å; P38-K40 PolarHBondContact O-N 2.84Å; K40-E42 PolarHBondContact O-N 2.91Å
41	K	47.6	Very low	45.7	Very low	197 Å²	197	151.1 Å²	151.1	86%	0.857	79%	0.791	S	S	*	*			trans	-61.7	108.9	161.7	-85.3	-176.6	175	178.1	0	105.7	K39 G43	K39-K41 PolarHBondContact O-N 3.14Å; K41-G43 PolarHBondContact O-N 2.81Å
42	E	41	Very low	47.3	Very low	183 Å²	183	156 Å²	156	86%	0.855	80%	0.802	S	S	*	*			trans	-49.1	94.9	160.2	-64.1	178.5	148	0	0	107.9	K40 K44	K40-E42 PolarHBondContact O-N 2.91Å; E42-K44 PolarHBondContact O-N 3.05Å
43	G	40.9	Very low	49.3	Very low	67 Å²	67	151 Å²	151	69%	0.691	78%	0.781	S	S	*	*			trans	-68.3	88.5	162.8	0	0	0	0	0	106.5	K41 I45	K41-G43 PolarHBondContact O-N 2.81Å; G43-I45 PolarHBondContact O-N 3.27Å
44	K	42	Very low	51.5	Low	194 Å²	194	141.1 Å²	141.1	84%	0.843	75%	0.752	S	S	*	*			trans	-54.8	94.1	155.8	-93.6	178.6	174.4	171.7	0	106.2	E42 S46	E42-K44 PolarHBondContact O-N 3.05Å; K44-S46 PolarHBondContact O-N 2.84Å
45	I	49.7	Very low	53.8	Low	159 Å²	159	138.6 Å²	138.6	82%	0.815	75%	0.747	S	S	*	*			trans	-61.4	98.5	163.1	-63.4	172.5	0	0	0	104.4	G43 S47	G43-I45 PolarHBondContact O-N 3.27Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 2.94Å
46	S	41	Very low	56.4	Low	88 Å²	88	131.4 Å²	131.4	62%	0.615	71%	0.714	S	S	*	*			trans	-62	95.7	176.1	178.2	0	0	0	0	107.7	K44 K48	K44-S46 PolarHBondContact O-N 2.84Å; S46-K48 PolarHBondContact O-N 2.89Å
47	S	46.5	Very low	58.8	Low	116 Å²	116	125.2 Å²	125.2	81%	0.811	68%	0.677	S	S	*	*			trans	-70.6	25.9	169.6	55.4	0	0	0	0	112.7	I45 T49	I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 2.94Å; S47-T49 PolarHBondContact O-N 2.79Å
48	K	35.3	Very low	61.1	Low	180 Å²	180	122.5 Å²	122.5	78%	0.783	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	95.1	171	-80.6	-178.6	172.1	177.9	0	108.8	S46	S46-K48 PolarHBondContact O-N 2.89Å
49	T	42	Very low	63.4	Low	127 Å²	127	119.4 Å²	119.4	78%	0.779	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.3	53.6	147.7	-41.2	0	0	0	0	111	S47 A51	S47-T49 PolarHBondContact O-N 2.79Å; T49-A51 PolarHBondContact O-N 3.05Å
50	A	49.7	Very low	65.7	Low	96 Å²	96	110.3 Å²	110.3	79%	0.793	60%	0.597	S	S	*	*			trans	-64.4	99.6	148.7	0	0	0	0	0	105.4	K52	A50-K52 PolarHBondContact O-N 2.97Å
51	A	61.2	Low	68.2	Low	80 Å²	80	105.8 Å²	105.8	66%	0.661	58%	0.579	S	S	*	*			trans	-48.6	120.4	178.6	0	0	0	0	0	107.9	T49 L53	T49-A51 PolarHBondContact O-N 3.05Å; A51-L53 PolarHBondContact O-N 2.81Å
52	K	76.6	Confident	70.6	Confident	200 Å²	200	102.7 Å²	102.7	87%	0.87	57%	0.565	S	S	*	*			trans	-57.3	111.3	178.6	-74.6	-179	-179.9	177.7	0	106.8	A50 S54	A50-K52 PolarHBondContact O-N 2.97Å; K52-S54 PolarHBondContact O-N 3.47Å
53	L	82.5	Confident	73.3	Confident	88 Å²	88	94.1 Å²	94.1	46%	0.461	53%	0.525	S	S	.	.			trans	-51.3	137.2	175	-71.4	171.4	0	0	0	109.3	A51 A57 K58 Q61	A51-L53 PolarHBondContact O-N 2.81Å; L53-A57 HydrophobicContact CB-CB 4.23Å; L53-A57 HydrophobicContact CD2-CB 4.16Å; L53-K58 HydrophobicContact CB-CG 3.82Å; L53-K58 VanDerWaalsContact O-CE 3.23Å; L53-K58 WeakPolarHBondContact O-CE 3.31Å; L53-Q61 VanDerWaalsContact CD1-OE1 3.3Å
54	S	94	Very high	76	Confident	50 Å²	50	92.7 Å²	92.7	35%	0.35	50%	0.501	S	S	.	.			trans	-58.1	158.8	174	65.4	0	0	0	0	110.4	K52 S56 A57 K58 Y85	K52-S54 PolarHBondContact O-N 3.47Å; S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 PolarHBondContact OG-OG 3.07Å; S54-A57 PolarHBondContact O-N 2.75Å; S54-A57 VanDerWaalsContact OG-CB 3.31Å; S54-A57 WeakPolarHBondContact OG-CB 3.45Å; S54-A57 PolarHBondContact OG-N 3Å; S54-A57 VanDerWaalsContact OG-N 3.07Å; S54-K58 WeakPolarHBondContact O-CG 3.23Å; S54-K58 PolarHBondContact O-N 3.03Å; S54-Y85 PolarHBondContact OG-OH 2.97Å
55	T	95.4	Very high	78.7	Confident	109 Å²	109	86.5 Å²	86.5	67%	0.669	49%	0.486	S	S	*	.	H	α-helix	trans	-55.8	-41.3	175.5	-54.9	0	0	0	0	111.5	K58 R59	T55-K58 PolarHBondContact O-N 3.4Å; T55-R59 WeakPolarHBondContact O-CB 3.34Å; T55-R59 PolarHBondContact O-N 2.97Å
56	S	97.3	Very high	81	Confident	6 Å²	6	83 Å²	83	4%	0.042	47%	0.467	C	S	.	.	H	α-helix	trans	-62.4	-48.3	175.3	39.5	0	0	0	0	112.5	S54 K58 R59 I60 Y85 P112 Y114	S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 PolarHBondContact OG-OG 3.07Å; S56-K58 VanDerWaalsContact C-N 3.35Å; S56-K58 PolarHBondContact O-N 2.91Å; S56-R59 WeakPolarHBondContact O-CB 3.45Å; S56-R59 PolarHBondContact O-N 3.25Å; S56-I60 VanDerWaalsContact O-CG1 3.26Å; S56-I60 WeakPolarHBondContact O-CG1 3.44Å; S56-I60 PolarHBondContact O-N 3.26Å; S56-Y85 PolarHBondContact OG-OH 2.91Å; S56-P112 WeakPolarHBondContact CB-O 3.36Å; S56-P112 PolarHBondContact OG-O 2.78Å; S56-Y114 VanDerWaalsContact CA-O 3.3Å; S56-Y114 WeakPolarHBondContact CA-O 3.31Å; S56-Y114 WeakPolarHBondContact CB-O 3.26Å
57	A	97.5	Very high	83.7	Confident	6 Å²	6	79 Å²	79	5%	0.05	44%	0.438	C	S	.	.	H	α-helix	trans	-60.7	-42	177.5	0	0	0	0	0	112.4	L53 S54 R59 I60 Q61 I84 Y85	L53-A57 HydrophobicContact CB-CB 4.23Å; L53-A57 HydrophobicContact CD2-CB 4.16Å; S54-A57 PolarHBondContact O-N 2.75Å; S54-A57 VanDerWaalsContact OG-CB 3.31Å; S54-A57 WeakPolarHBondContact OG-CB 3.45Å; S54-A57 PolarHBondContact OG-N 3Å; S54-A57 VanDerWaalsContact OG-N 3.07Å; A57-R59 PolarHBondContact O-N 3.06Å; A57-I60 PolarHBondContact O-N 3.38Å; A57-Q61 WeakPolarHBondContact O-CB 3.2Å; A57-Q61 PolarHBondContact O-N 3.07Å; A57-I84 HydrophobicContact CB-CG2 4.43Å; A57-Y85 HydrophobicContact CB-CE2 4.47Å; A57-Y85 PolarHBondContact N-OH 2.81Å
58	K	97.3	Very high	86.1	Confident	119 Å²	119	78.5 Å²	78.5	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-42.1	175.2	-70.6	176.4	-176.5	167.8	0	112.2	L53 S54 T55 S56 K62	L53-K58 HydrophobicContact CB-CG 3.82Å; L53-K58 VanDerWaalsContact O-CE 3.23Å; L53-K58 WeakPolarHBondContact O-CE 3.31Å; S54-K58 WeakPolarHBondContact O-CG 3.23Å; S54-K58 PolarHBondContact O-N 3.03Å; T55-K58 PolarHBondContact O-N 3.4Å; S56-K58 VanDerWaalsContact C-N 3.35Å; S56-K58 PolarHBondContact O-N 2.91Å; K58-K62 WeakPolarHBondContact O-CB 3.37Å; K58-K62 PolarHBondContact O-N 3.17Å
59	R	98	Very high	89	Confident	52 Å²	52	77.2 Å²	77.2	20%	0.196	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-46.9	176.8	172.4	62	-171.5	-91.5	-15.1	111.2	T55 S56 A57 K62 E63 Y114 P115 P149 L151	T55-R59 WeakPolarHBondContact O-CB 3.34Å; T55-R59 PolarHBondContact O-N 2.97Å; S56-R59 WeakPolarHBondContact O-CB 3.45Å; S56-R59 PolarHBondContact O-N 3.25Å; A57-R59 PolarHBondContact O-N 3.06Å; R59-K62 PolarHBondContact O-N 2.8Å; R59-E63 IonicContact CZ-OE1 3.16Å; R59-E63 IonicContact NE-OE1 2.69Å; R59-E63 PolarHBondContact NE-OE1 3.39Å; R59-E63 IonicContact NH2-OE1 2.78Å; R59-E63 PolarHBondContact NH2-OE1 3.32Å; R59-E63 PolarHBondContact O-N 3.39Å; R59-Y114 HydrophobicContact CG-CD1 3.95Å; R59-Y114 HydrophobicContact CG-CE1 3.69Å; R59-P115 HydrophobicContact CG-CB 4.3Å; R59-P115 HydrophobicContact CG-CG 4.19Å; R59-P149 PolarHBondContact NH1-O 3.43Å; R59-P149 PolarHBondContact NH2-O 2.88Å; R59-L151 PolarHBondContact NH2-O 3.42Å
60	I	98.4	Very high	91.6	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-64.6	-42	178.9	-62.3	162.3	0	0	0	110.8	S56 A57 K62 E63 L64 I84 Y85 W87 F110 Y114	S56-I60 VanDerWaalsContact O-CG1 3.26Å; S56-I60 WeakPolarHBondContact O-CG1 3.44Å; S56-I60 PolarHBondContact O-N 3.26Å; A57-I60 PolarHBondContact O-N 3.38Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.89Å; I60-E63 PolarHBondContact O-N 2.91Å; I60-L64 PolarHBondContact O-N 3.21Å; I60-I84 HydrophobicContact CB-CG1 4.35Å; I60-I84 HydrophobicContact CG2-CD1 4.48Å; I60-I84 HydrophobicContact CG2-CG1 3.77Å; I60-I84 WeakPolarHBondContact CG2-O 3.37Å; I60-Y85 HydrophobicContact CD1-CD1 3.65Å; I60-Y85 HydrophobicContact CD1-CE1 3.72Å; I60-Y85 HydrophobicContact CD1-CG 4.28Å; I60-W87 HydrophobicContact CG2-CZ2 3.51Å; I60-F110 HydrophobicContact CD1-CB 3.61Å; I60-F110 HydrophobicContact CD1-CD1 4.04Å; I60-F110 HydrophobicContact CD1-CD2 4.04Å; I60-F110 HydrophobicContact CD1-CG 3.64Å; I60-F110 HydrophobicContact CG1-CB 4.43Å; I60-F110 HydrophobicContact CG1-CD1 3.92Å; I60-F110 HydrophobicContact CG1-CD2 4.37Å; I60-F110 HydrophobicContact CG1-CE1 4.16Å; I60-F110 HydrophobicContact CG1-CG 4Å; I60-F110 HydrophobicContact CG1-CZ 4.5Å; I60-F110 HydrophobicContact CG2-CD2 4.34Å; I60-F110 HydrophobicContact CG2-CE2 4.05Å; I60-F110 HydrophobicContact CG2-CZ 4.17Å; I60-Y114 HydrophobicContact CD1-CD1 4.31Å; I60-Y114 HydrophobicContact CG1-CD1 3.66Å; I60-Y114 HydrophobicContact CG1-CE1 4.03Å
61	Q	97.5	Very high	93.9	Very high	105 Å²	105	75.8 Å²	75.8	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-37.2	177.3	-172.4	176.9	5.1	0	0	112.3	L53 A57 L64 A65	L53-Q61 VanDerWaalsContact CD1-OE1 3.3Å; A57-Q61 WeakPolarHBondContact O-CB 3.2Å; A57-Q61 PolarHBondContact O-N 3.07Å; Q61-L64 PolarHBondContact O-N 3.02Å; Q61-A65 PolarHBondContact O-N 2.9Å; Q61-A65 VanDerWaalsContact O-N 3.12Å
62	K	98	Very high	95.5	Very high	131 Å²	131	72.5 Å²	72.5	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-62.9	-48.1	173	-179.9	176.6	170.3	177.7	0	111.2	K58 R59 I60 L64 A65 E66	K58-K62 WeakPolarHBondContact O-CB 3.37Å; K58-K62 PolarHBondContact O-N 3.17Å; R59-K62 PolarHBondContact O-N 2.8Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.89Å; K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 PolarHBondContact O-N 3.46Å; K62-A65 PolarHBondContact O-N 3.07Å; K62-E66 WeakPolarHBondContact CE-OE1 3.46Å; K62-E66 IonicContact NZ-OE1 3.89Å; K62-E66 WeakPolarHBondContact O-CG 3.26Å; K62-E66 PolarHBondContact O-N 2.9Å
63	E	98.4	Very high	96.3	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.019	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-33.4	176.7	-73.2	-171.9	-130.7	0	0	112.8	R59 I60 E66 I67 Y114 T152 I153	R59-E63 IonicContact CZ-OE1 3.16Å; R59-E63 IonicContact NE-OE1 2.69Å; R59-E63 PolarHBondContact NE-OE1 3.39Å; R59-E63 IonicContact NH2-OE1 2.78Å; R59-E63 PolarHBondContact NH2-OE1 3.32Å; R59-E63 PolarHBondContact O-N 3.39Å; I60-E63 PolarHBondContact O-N 2.91Å; E63-E66 PolarHBondContact O-N 3.39Å; E63-I67 WeakPolarHBondContact O-CB 3.48Å; E63-I67 WeakPolarHBondContact O-CG2 3.45Å; E63-I67 PolarHBondContact O-N 3.47Å; E63-Y114 VanDerWaalsContact CD-OH 3.23Å; E63-Y114 VanDerWaalsContact OE1-CE1 3.25Å; E63-Y114 WeakPolarHBondContact OE1-CE1 3.45Å; E63-Y114 VanDerWaalsContact OE1-CZ 3.31Å; E63-Y114 PolarHBondContact OE1-OH 2.89Å; E63-Y114 PolarHBondContact OE2-OH 2.92Å; E63-Y114 VanDerWaalsContact OE2-OH 3.12Å; E63-T152 HydrophobicContact CG-CG2 4.45Å; E63-T152 VanDerWaalsContact OE2-CA 3.28Å; E63-T152 WeakPolarHBondContact OE2-CA 3.28Å; E63-T152 WeakPolarHBondContact OE2-CB 3.14Å; E63-I153 PolarHBondContact OE2-N 3.1Å
64	L	98.4	Very high	96.9	Very high	36 Å²	36	66.7 Å²	66.7	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-45	173.6	-177.9	55.9	0	0	0	111.4	I60 Q61 K62 E66 I67 T68 P79 I84 W87	I60-L64 PolarHBondContact O-N 3.21Å; Q61-L64 PolarHBondContact O-N 3.02Å; K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 PolarHBondContact O-N 3.46Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-I67 HydrophobicContact CD1-CG2 4.45Å; L64-T68 VanDerWaalsContact O-CB 3.25Å; L64-T68 WeakPolarHBondContact O-CB 3.3Å; L64-T68 PolarHBondContact O-N 2.99Å; L64-T68 PolarHBondContact O-OG1 3.1Å; L64-P79 HydrophobicContact CD1-CG 4.49Å; L64-P79 HydrophobicContact CD2-CG 3.8Å; L64-I84 HydrophobicContact CD2-CD1 3.91Å; L64-W87 HydrophobicContact CB-CH2 3.82Å; L64-W87 HydrophobicContact CB-CZ2 3.71Å; L64-W87 HydrophobicContact CD1-CH2 3.95Å; L64-W87 HydrophobicContact CD1-CZ2 4.02Å; L64-W87 HydrophobicContact CG-CH2 4.48Å; L64-W87 HydrophobicContact CG-CZ2 4.33Å
65	A	98	Very high	97.1	Very high	64 Å²	64	65 Å²	65	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-42.6	176.6	0	0	0	0	0	111.5	Q61 K62 L69	Q61-A65 PolarHBondContact O-N 2.9Å; Q61-A65 VanDerWaalsContact O-N 3.12Å; K62-A65 PolarHBondContact O-N 3.07Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 2.85Å; A65-L69 VanDerWaalsContact O-N 3.09Å
66	E	97.7	Very high	97.2	Very high	87 Å²	87	62.7 Å²	62.7	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-50.1	178.6	-71.3	170.8	179.7	0	0	112	K62 E63 L64 T68 L69 D70	K62-E66 WeakPolarHBondContact CE-OE1 3.46Å; K62-E66 IonicContact NZ-OE1 3.89Å; K62-E66 WeakPolarHBondContact O-CG 3.26Å; K62-E66 PolarHBondContact O-N 2.9Å; E63-E66 PolarHBondContact O-N 3.39Å; L64-E66 VanDerWaalsContact C-N 3.34Å; E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.49Å; E66-L69 PolarHBondContact O-N 2.67Å; E66-D70 PolarHBondContact O-N 2.86Å
67	I	97.6	Very high	97.2	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-25.4	-178.5	-157.3	168.2	0	0	0	113.1	E63 L64 P71 P72 A77 W87 I153 L157	E63-I67 WeakPolarHBondContact O-CB 3.48Å; E63-I67 WeakPolarHBondContact O-CG2 3.45Å; E63-I67 PolarHBondContact O-N 3.47Å; L64-I67 HydrophobicContact CD1-CG2 4.45Å; I67-P71 VanDerWaalsContact O-CA 3.28Å; I67-P71 WeakPolarHBondContact O-CA 3.41Å; I67-P71 WeakPolarHBondContact O-CB 3.42Å; I67-P72 HydrophobicContact CD1-CG 4.42Å; I67-A77 HydrophobicContact CD1-CB 4.01Å; I67-W87 HydrophobicContact CG2-CH2 4.29Å; I67-W87 HydrophobicContact CG2-CZ3 4.1Å; I67-I153 HydrophobicContact CD1-CG2 4.09Å; I67-L157 HydrophobicContact CD1-CD1 3.98Å
68	T	96.9	Very high	97.3	Very high	104 Å²	104	63.7 Å²	63.7	64%	0.638	35%	0.351	S	S	*	.	H	α-helix	trans	-73.4	-36.7	173.8	-57.7	0	0	0	0	110.9	L64 E66	L64-T68 VanDerWaalsContact O-CB 3.25Å; L64-T68 WeakPolarHBondContact O-CB 3.3Å; L64-T68 PolarHBondContact O-N 2.99Å; L64-T68 PolarHBondContact O-OG1 3.1Å; E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.49Å
69	L	97.3	Very high	97.3	Very high	154 Å²	154	60.2 Å²	60.2	81%	0.806	34%	0.341	S	S	*	.	H	α-helix	trans	-75.9	-42.6	178.5	-179.1	63.8	0	0	0	112.1	A65 E66	A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 2.85Å; A65-L69 VanDerWaalsContact O-N 3.09Å; E66-L69 PolarHBondContact O-N 2.67Å
70	D	96.4	Very high	97.3	Very high	127 Å²	127	61.7 Å²	61.7	68%	0.679	35%	0.349	S	S	*	.	S	Bend	trans	-136.6	79.3	-176	-172.8	30.8	0	0	0	110.2	E66	E66-D70 PolarHBondContact O-N 2.86Å
71	P	96.6	Very high	97.2	Very high	66 Å²	66	63.9 Å²	63.9	43%	0.429	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-69.7	141.9	179.9	27.6	-33.5	0	0	0	111	I67	I67-P71 VanDerWaalsContact O-CA 3.28Å; I67-P71 WeakPolarHBondContact O-CA 3.41Å; I67-P71 WeakPolarHBondContact O-CB 3.42Å
72	P	95.3	Very high	97.2	Very high	10 Å²	10	67.3 Å²	67.3	7%	0.065	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-60.3	146.8	174	11.7	-13.9	0	0	0	110.6	I67 N74 C75 L157 L158	I67-P72 HydrophobicContact CD1-CG 4.42Å; P72-N74 PolarHBondContact O-N 2.8Å; P72-C75 HydrophobicContact CB-CB 4.02Å; P72-C75 HydrophobicContact CG-CB 3.65Å; P72-C75 WeakPolarHBondContact O-CB 3.33Å; P72-C75 PolarHBondContact O-N 3.22Å; P72-L157 HydrophobicContact CG-CB 4.33Å; P72-L157 HydrophobicContact CG-CD1 4.32Å; P72-L158 HydrophobicContact CB-CD1 4.43Å; P72-L158 HydrophobicContact CB-CD2 3.76Å; P72-L158 HydrophobicContact CB-CG 3.84Å
73	P	94.9	Very high	97.1	Very high	96 Å²	96	64.3 Å²	64.3	62%	0.623	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	134.9	178.2	-29.3	35	0	0	0	112.2	C75	P73-C75 PolarHBondContact O-N 2.9Å; P73-C75 VanDerWaalsContact O-N 3.09Å; P73-C75 PolarHBondContact O-SG 3.43Å
74	N	94	Very high	97.1	Very high	71 Å²	71	66.1 Å²	66.1	38%	0.38	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	13.7	-179.9	-63.8	-32.2	0	0	0	115.2	P72 I91 L92	P72-N74 PolarHBondContact O-N 2.8Å; N74-I91 WeakPolarHBondContact O-CA 3.25Å; N74-L92 HydrophobicContact CB-CB 4.01Å; N74-L92 PolarHBondContact O-N 3.41Å
75	C	97.7	Very high	97.1	Very high	13 Å²	13	66.8 Å²	66.8	9%	0.088	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149	-175.8	-60.4	0	0	0	0	111.6	P72 P73 T90 L157 C161	P72-C75 HydrophobicContact CB-CB 4.02Å; P72-C75 HydrophobicContact CG-CB 3.65Å; P72-C75 WeakPolarHBondContact O-CB 3.33Å; P72-C75 PolarHBondContact O-N 3.22Å; P73-C75 PolarHBondContact O-N 2.9Å; P73-C75 VanDerWaalsContact O-N 3.09Å; P73-C75 PolarHBondContact O-SG 3.43Å; C75-T90 CarbonylContact C-O 3.51Å; C75-T90 VanDerWaalsContact CA-O 3.31Å; C75-T90 WeakPolarHBondContact CA-O 3.49Å; C75-L157 HydrophobicContact CB-CB 4.43Å; C75-L157 HydrophobicContact CB-CD1 4.29Å; C75-C161 PolarHBondContact SG-SG 3Å
76	S	97.8	Very high	97.1	Very high	61 Å²	61	67.7 Å²	67.7	43%	0.427	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153	162.4	65.1	0	0	0	0	109.6	S89 T90	S76-S89 CarbonylContact O-C 3.55Å; S76-S89 WeakPolarHBondContact O-CA 3.41Å; S76-S89 VanDerWaalsContact O-CB 3.29Å; S76-S89 WeakPolarHBondContact O-CB 3.35Å; S76-S89 PolarHBondContact O-OG 3.01Å; S76-T90 PolarHBondContact N-O 3.01Å; S76-T90 PolarHBondContact O-N 2.9Å
77	A	98.5	Very high	97.1	Very high	16 Å²	16	63.5 Å²	63.5	13%	0.132	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.4	170.5	0	0	0	0	0	112	I67 W87 R88 I108 I153 L157	I67-A77 HydrophobicContact CD1-CB 4.01Å; A77-W87 HydrophobicContact CB-CE3 3.84Å; A77-W87 HydrophobicContact CB-CZ3 4.19Å; A77-R88 VanDerWaalsContact CA-O 3.25Å; A77-R88 WeakPolarHBondContact CA-O 3.48Å; A77-I108 HydrophobicContact CB-CD1 4.36Å; A77-I153 HydrophobicContact CB-CG2 4.38Å; A77-L157 HydrophobicContact CB-CD1 3.99Å
78	G	98.2	Very high	97.2	Very high	17 Å²	17	68.3 Å²	68.3	18%	0.175	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	174.8	174.3	0	0	0	0	0	112.5	W87 R88	G78-W87 CarbonylContact O-C 3.55Å; G78-W87 WeakPolarHBondContact O-CA 3.49Å; G78-W87 VanDerWaalsContact O-CB 3.3Å; G78-W87 WeakPolarHBondContact O-CB 3.45Å; G78-R88 PolarHBondContact N-O 3.31Å; G78-R88 PolarHBondContact O-N 3.05Å
79	P	98.3	Very high	97.3	Very high	47 Å²	47	63.4 Å²	63.4	31%	0.305	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	143.1	179.9	-24.2	33.7	0	0	0	112.7	L64 G81 I84 E86	L64-P79 HydrophobicContact CD1-CG 4.49Å; L64-P79 HydrophobicContact CD2-CG 3.8Å; P79-G81 WeakPolarHBondContact CB-O 3.08Å; P79-G81 PolarHBondContact O-N 3.46Å; P79-I84 HydrophobicContact CG-CD1 3.83Å; P79-E86 CarbonylContact C-O 3.58Å; P79-E86 WeakPolarHBondContact CA-O 3.31Å
80	K	97.6	Very high	97.3	Very high	83 Å²	83	57.5 Å²	57.5	36%	0.361	33%	0.325	S	S	.	.	S	Bend	trans	-73.1	-19.8	174.4	-61.6	-179.1	-162.8	-179.6	0	112.9	E86 W87 R88 D107	K80-E86 HydrophobicContact CD-CB 4.46Å; K80-E86 PolarHBondContact N-O 2.86Å; K80-W87 VanDerWaalsContact CE-C 3.47Å; K80-W87 WeakPolarHBondContact CE-O 2.92Å; K80-R88 HydrophobicContact CG-CB 4.01Å; K80-D107 WeakPolarHBondContact CE-OD1 3.37Å; K80-D107 IonicContact NZ-OD1 2.67Å; K80-D107 PolarHBondContact NZ-OD1 3.11Å; K80-D107 IonicContact NZ-OD2 3.88Å
81	G	96.7	Very high	97.4	Very high	46 Å²	46	51.4 Å²	51.4	47%	0.474	29%	0.293	S	S	.	.	S	Bend	trans	179.6	-145.6	-175.3	0	0	0	0	0	109.2	P79 N83	P79-G81 WeakPolarHBondContact CB-O 3.08Å; P79-G81 PolarHBondContact O-N 3.46Å; G81-N83 VanDerWaalsContact C-N 3.26Å; G81-N83 PolarHBondContact O-N 2.85Å
82	D	96.1	Very high	97.5	Very high	176 Å²	176	52 Å²	52	94%	0.941	29%	0.292	S	S	*	.	S	Bend	trans	-70.4	-19.2	-173	-57.6	-23.9	0	0	0	114.1	I84	D82-I84 PolarHBondContact O-N 2.83Å
83	N	96.8	Very high	97.7	Very high	69 Å²	69	51.8 Å²	51.8	37%	0.369	29%	0.291	S	S	.	.			trans	-80.1	103.1	177.2	-173.4	1.7	0	0	0	111.3	G81 Y85 E86	G81-N83 VanDerWaalsContact C-N 3.26Å; G81-N83 PolarHBondContact O-N 2.85Å; N83-Y85 PolarHBondContact O-N 2.86Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.39Å; N83-Y85 PolarHBondContact OD1-N 2.78Å; N83-E86 PolarHBondContact ND2-OE1 3.44Å; N83-E86 PolarHBondContact O-N 3.26Å; N83-E86 VanDerWaalsContact O-N 3.1Å
84	I	97.4	Very high	97.8	Very high	42 Å²	42	47.8 Å²	47.8	22%	0.215	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.3	178.5	-159.7	71.5	0	0	0	113.5	A57 I60 L64 P79 D82 E86 W87	A57-I84 HydrophobicContact CB-CG2 4.43Å; I60-I84 HydrophobicContact CB-CG1 4.35Å; I60-I84 HydrophobicContact CG2-CD1 4.48Å; I60-I84 HydrophobicContact CG2-CG1 3.77Å; I60-I84 WeakPolarHBondContact CG2-O 3.37Å; L64-I84 HydrophobicContact CD2-CD1 3.91Å; P79-I84 HydrophobicContact CG-CD1 3.83Å; D82-I84 PolarHBondContact O-N 2.83Å; I84-E86 VanDerWaalsContact C-N 3.35Å; I84-W87 VanDerWaalsContact O-CD1 3.24Å; I84-W87 PolarHBondContact O-NE1 3.48Å
85	Y	98.5	Very high	98	Very high	49 Å²	49	48.9 Å²	48.9	19%	0.192	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.2	179.8	-66.2	-95.7	0	0	0	113.8	S54 S56 A57 I60 N83 T109 F110	S54-Y85 PolarHBondContact OG-OH 2.97Å; S56-Y85 PolarHBondContact OG-OH 2.91Å; A57-Y85 HydrophobicContact CB-CE2 4.47Å; A57-Y85 PolarHBondContact N-OH 2.81Å; I60-Y85 HydrophobicContact CD1-CD1 3.65Å; I60-Y85 HydrophobicContact CD1-CE1 3.72Å; I60-Y85 HydrophobicContact CD1-CG 4.28Å; N83-Y85 PolarHBondContact O-N 2.86Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.39Å; N83-Y85 PolarHBondContact OD1-N 2.78Å; Y85-T109 WeakPolarHBondContact O-CA 3.47Å; Y85-F110 HydrophobicContact CD1-CB 3.82Å; Y85-F110 WeakPolarHBondContact O-CD2 3.48Å; Y85-F110 PolarHBondContact O-N 2.73Å
86	E	98.7	Very high	97.9	Very high	83 Å²	83	51.7 Å²	51.7	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.2	-179.2	-72.8	179.2	-145.2	0	0	110.9	P79 K80 N83 I84	P79-E86 CarbonylContact C-O 3.58Å; P79-E86 WeakPolarHBondContact CA-O 3.31Å; K80-E86 HydrophobicContact CD-CB 4.46Å; K80-E86 PolarHBondContact N-O 2.86Å; N83-E86 PolarHBondContact ND2-OE1 3.44Å; N83-E86 PolarHBondContact O-N 3.26Å; N83-E86 VanDerWaalsContact O-N 3.1Å; I84-E86 VanDerWaalsContact C-N 3.35Å
87	W	98.7	Very high	97.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.2	-176.6	-76.6	33.5	0	0	0	111.7	I60 L64 I67 A77 G78 K80 I84 I108 F110 I153	I60-W87 HydrophobicContact CG2-CZ2 3.51Å; L64-W87 HydrophobicContact CB-CH2 3.82Å; L64-W87 HydrophobicContact CB-CZ2 3.71Å; L64-W87 HydrophobicContact CD1-CH2 3.95Å; L64-W87 HydrophobicContact CD1-CZ2 4.02Å; L64-W87 HydrophobicContact CG-CH2 4.48Å; L64-W87 HydrophobicContact CG-CZ2 4.33Å; I67-W87 HydrophobicContact CG2-CH2 4.29Å; I67-W87 HydrophobicContact CG2-CZ3 4.1Å; A77-W87 HydrophobicContact CB-CE3 3.84Å; A77-W87 HydrophobicContact CB-CZ3 4.19Å; G78-W87 CarbonylContact O-C 3.55Å; G78-W87 WeakPolarHBondContact O-CA 3.49Å; G78-W87 VanDerWaalsContact O-CB 3.3Å; G78-W87 WeakPolarHBondContact O-CB 3.45Å; K80-W87 VanDerWaalsContact CE-C 3.47Å; K80-W87 WeakPolarHBondContact CE-O 2.92Å; I84-W87 VanDerWaalsContact O-CD1 3.24Å; I84-W87 PolarHBondContact O-NE1 3.48Å; W87-I108 HydrophobicContact CB-CB 3.94Å; W87-I108 HydrophobicContact CB-CG2 4.42Å; W87-I108 PolarHBondContact N-O 2.6Å; W87-I108 PolarHBondContact O-N 3.12Å; W87-F110 HydrophobicContact CB-CE2 4.2Å; W87-F110 AromaticContact CD1-CE2 3.57Å; W87-F110 AromaticContact CD2-CE2 3.72Å; W87-F110 HydrophobicContact CD2-CE2 3.72Å; W87-F110 HydrophobicContact CD2-CZ 4.04Å; W87-F110 AromaticContact CE2-CE2 3.72Å; W87-F110 HydrophobicContact CE3-CE2 4.42Å; W87-F110 HydrophobicContact CE3-CZ 4.33Å; W87-F110 AromaticContact CG-CE2 3.62Å; W87-F110 HydrophobicContact CG-CE2 3.62Å; W87-F110 HydrophobicContact CG-CZ 4.37Å; W87-F110 HydrophobicContact CZ2-CE2 4.41Å; W87-F110 HydrophobicContact CZ2-CZ 4.34Å; W87-F110 AromaticContact NE1-CE2 3.61Å; W87-I153 HydrophobicContact CE3-CG2 4.5Å; W87-I153 HydrophobicContact CZ3-CG2 4.27Å
88	R	98.6	Very high	97.9	Very high	104 Å²	104	49.9 Å²	49.9	39%	0.392	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.8	163.4	-176.8	169.2	-61	164.8	13.9	108.4	A77 G78 K80 L106 R124	A77-R88 VanDerWaalsContact CA-O 3.25Å; A77-R88 WeakPolarHBondContact CA-O 3.48Å; G78-R88 PolarHBondContact N-O 3.31Å; G78-R88 PolarHBondContact O-N 3.05Å; K80-R88 HydrophobicContact CG-CB 4.01Å; R88-L106 WeakPolarHBondContact CA-O 3.41Å; R88-R124 VanDerWaalsContact NH2-NH1 3.11Å
89	S	98.7	Very high	98	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.4	169.9	177.7	0	0	0	0	110.7	S76 F105 L106 L157	S76-S89 CarbonylContact O-C 3.55Å; S76-S89 WeakPolarHBondContact O-CA 3.41Å; S76-S89 VanDerWaalsContact O-CB 3.29Å; S76-S89 WeakPolarHBondContact O-CB 3.35Å; S76-S89 PolarHBondContact O-OG 3.01Å; S89-F105 WeakPolarHBondContact O-CA 3.46Å; S89-L106 PolarHBondContact N-O 2.83Å; S89-L106 PolarHBondContact O-N 3.09Å; S89-L157 VanDerWaalsContact OG-CD2 3.27Å; S89-L157 WeakPolarHBondContact OG-CD2 3.37Å
90	T	98.6	Very high	98	Very high	30 Å²	30	52.6 Å²	52.6	18%	0.184	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.9	169.1	-57.2	0	0	0	0	108.1	C75 S76 V103 F104 F105	C75-T90 CarbonylContact C-O 3.51Å; C75-T90 VanDerWaalsContact CA-O 3.31Å; C75-T90 WeakPolarHBondContact CA-O 3.49Å; S76-T90 PolarHBondContact N-O 3.01Å; S76-T90 PolarHBondContact O-N 2.9Å; T90-V103 HydrophobicContact CG2-CG1 3.57Å; T90-F104 CarbonylContact C-O 3.37Å; T90-F104 WeakPolarHBondContact CA-O 3.14Å; T90-F105 HydrophobicContact CG2-CE1 4.33Å
91	I	98.5	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124	170.2	-65.4	178.9	0	0	0	107.5	N74 F104 L106 L157 I160 C161 L164	N74-I91 WeakPolarHBondContact O-CA 3.25Å; I91-F104 PolarHBondContact N-O 3.02Å; I91-F104 PolarHBondContact O-N 2.85Å; I91-L106 HydrophobicContact CB-CD1 4.19Å; I91-L106 HydrophobicContact CD1-CD1 3.81Å; I91-L106 HydrophobicContact CD1-CD2 4.05Å; I91-L106 HydrophobicContact CG1-CD1 3.87Å; I91-L157 HydrophobicContact CD1-CD2 4.07Å; I91-L157 HydrophobicContact CG1-CD2 4.4Å; I91-I160 HydrophobicContact CD1-CB 4.13Å; I91-I160 HydrophobicContact CD1-CG2 3.62Å; I91-C161 VanDerWaalsContact CG2-SG 3.59Å; I91-L164 HydrophobicContact CG2-CD1 4.14Å
92	L	98.4	Very high	98.1	Very high	77 Å²	77	49.2 Å²	49.2	40%	0.403	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.3	165.4	-51.5	178.5	0	0	0	108.2	N74 G102 V103	N74-L92 HydrophobicContact CB-CB 4.01Å; N74-L92 PolarHBondContact O-N 3.41Å; L92-G102 WeakPolarHBondContact CA-O 3.3Å; L92-V103 HydrophobicContact CD2-CG1 4.38Å; L92-V103 HydrophobicContact CD2-CG2 3.94Å
93	G	98.3	Very high	98.2	Very high	6 Å²	6	43.2 Å²	43.2	6%	0.062	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-54.4	129.6	179.7	0	0	0	0	0	111.4	Y99 G102	G93-Y99 WeakPolarHBondContact CA-O 3.47Å; G93-G102 PolarHBondContact N-O 2.79Å
94	P	98.1	Very high	98.3	Very high	12 Å²	12	40 Å²	40	8%	0.078	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-55.2	135.3	-175.3	-27.4	34.1	0	0	0	112.3	G96 S97 L164	P94-G96 PolarHBondContact O-N 3.39Å; P94-S97 VanDerWaalsContact O-CB 3.28Å; P94-S97 WeakPolarHBondContact O-CB 3.28Å; P94-S97 PolarHBondContact O-N 3.33Å; P94-S97 VanDerWaalsContact O-N 3.09Å; P94-S97 PolarHBondContact O-OG 3.3Å; P94-L164 HydrophobicContact CG-CB 4.03Å
95	P	97.2	Very high	98.4	Very high	95 Å²	95	42.1 Å²	42.1	62%	0.617	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	137.6	173.7	-24.4	33.7	0	0	0	111.6	S97	P95-S97 PolarHBondContact O-N 3.42Å
96	G	96.7	Very high	98.4	Very high	72 Å²	72	39.8 Å²	39.8	74%	0.742	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-8.3	-175.7	0	0	0	0	0	114.9	P94 E100	P94-G96 PolarHBondContact O-N 3.39Å; G96-E100 WeakPolarHBondContact CA-OE2 3.35Å; G96-E100 PolarHBondContact N-OE2 3.12Å
97	S	98	Very high	98.4	Very high	21 Å²	21	37.4 Å²	37.4	15%	0.147	23%	0.227	C	C	.	.	S	Bend	trans	-86.9	166	177.4	78.5	0	0	0	0	112.4	P94 P95 Y99 E100	P94-S97 VanDerWaalsContact O-CB 3.28Å; P94-S97 WeakPolarHBondContact O-CB 3.28Å; P94-S97 PolarHBondContact O-N 3.33Å; P94-S97 VanDerWaalsContact O-N 3.09Å; P94-S97 PolarHBondContact O-OG 3.3Å; P95-S97 PolarHBondContact O-N 3.42Å; S97-Y99 PolarHBondContact O-N 3.46Å; S97-Y99 VanDerWaalsContact O-N 3.09Å; S97-Y99 PolarHBondContact OG-N 2.86Å; S97-Y99 VanDerWaalsContact OG-N 3.11Å; S97-E100 WeakPolarHBondContact O-CB 3.47Å; S97-E100 PolarHBondContact O-N 2.95Å; S97-E100 PolarHBondContact OG-N 3.32Å
98	V	98.6	Very high	98.4	Very high	17 Å²	17	37.5 Å²	37.5	10%	0.103	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.7	169	-68.9	0	0	0	0	113.7	D189 A192 R193 T196	V98-D189 HydrophobicContact CG1-CB 3.62Å; V98-D189 VanDerWaalsContact CG1-CG 3.48Å; V98-A192 HydrophobicContact CB-CB 3.7Å; V98-A192 HydrophobicContact CG1-CB 4.3Å; V98-A192 HydrophobicContact CG2-CB 3.58Å; V98-R193 HydrophobicContact CB-CG 4.09Å; V98-R193 HydrophobicContact CG1-CG 4.33Å; V98-R193 WeakPolarHBondContact O-CG 3.42Å; V98-T196 PolarHBondContact O-OG1 2.76Å; V98-T196 VanDerWaalsContact O-OG1 3.08Å
99	Y	98.8	Very high	98.4	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.02	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.7	-180	-50.4	-63.1	0	0	0	113.1	G93 S97 G101 G102 F104 I127 Y128 H129 L164 A192 T196	G93-Y99 WeakPolarHBondContact CA-O 3.47Å; S97-Y99 PolarHBondContact O-N 3.46Å; S97-Y99 VanDerWaalsContact O-N 3.09Å; S97-Y99 PolarHBondContact OG-N 2.86Å; S97-Y99 VanDerWaalsContact OG-N 3.11Å; Y99-G101 PolarHBondContact O-N 3.42Å; Y99-G102 PolarHBondContact O-N 3.04Å; Y99-F104 HydrophobicContact CD1-CZ 4.04Å; Y99-F104 HydrophobicContact CG-CZ 4.29Å; Y99-I127 HydrophobicContact CD1-CD1 3.81Å; Y99-I127 HydrophobicContact CD1-CG1 3.95Å; Y99-I127 HydrophobicContact CE1-CD1 3.7Å; Y99-I127 HydrophobicContact CE1-CG1 3.58Å; Y99-I127 HydrophobicContact CG-CD1 4.36Å; Y99-Y128 PolarHBondContact OH-O 2.91Å; Y99-H129 AromaticContact CE2-CD2 3.91Å; Y99-H129 AromaticContact CZ-CD2 3.74Å; Y99-H129 PolarHBondContact OH-CD2 2.88Å; Y99-L164 HydrophobicContact CD2-CB 3.87Å; Y99-L164 HydrophobicContact CD2-CD2 4.23Å; Y99-L164 VanDerWaalsContact CD2-O 3.3Å; Y99-L164 WeakPolarHBondContact CD2-O 3.44Å; Y99-L164 HydrophobicContact CE2-CB 4.16Å; Y99-L164 HydrophobicContact CE2-CD2 4.13Å; Y99-L164 WeakPolarHBondContact CE2-O 3.25Å; Y99-A192 HydrophobicContact CE1-CB 4.24Å; Y99-T196 WeakPolarHBondContact O-CG2 3.43Å
100	E	98.4	Very high	98.4	Very high	116 Å²	116	35.6 Å²	35.6	54%	0.542	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	136.4	-179.8	-175.1	176.9	160.8	0	0	112	G96 S97 G102	G96-E100 WeakPolarHBondContact CA-OE2 3.35Å; G96-E100 PolarHBondContact N-OE2 3.12Å; S97-E100 WeakPolarHBondContact O-CB 3.47Å; S97-E100 PolarHBondContact O-N 2.95Å; S97-E100 PolarHBondContact OG-N 3.32Å; E100-G102 PolarHBondContact O-N 3.45Å
101	G	98	Very high	98.3	Very high	58 Å²	58	35.8 Å²	35.8	60%	0.598	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-12.4	-176.1	0	0	0	0	0	114.7	Y99 T201	Y99-G101 PolarHBondContact O-N 3.42Å; G101-T201 WeakPolarHBondContact O-CG2 3.46Å
102	G	98.6	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.26	C	S	.	.			trans	-77.6	148.3	174.4	0	0	0	0	0	113.7	L92 G93 Y99 E100 A200	L92-G102 WeakPolarHBondContact CA-O 3.3Å; G93-G102 PolarHBondContact N-O 2.79Å; Y99-G102 PolarHBondContact O-N 3.04Å; E100-G102 PolarHBondContact O-N 3.45Å; G102-A200 CarbonylContact C-O 3.59Å; G102-A200 WeakPolarHBondContact CA-O 3.28Å
103	V	98.7	Very high	98.2	Very high	51 Å²	51	40.6 Å²	40.6	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.6	173.2	-174.8	0	0	0	0	108.7	T90 L92 F105 A200	T90-V103 HydrophobicContact CG2-CG1 3.57Å; L92-V103 HydrophobicContact CD2-CG1 4.38Å; L92-V103 HydrophobicContact CD2-CG2 3.94Å; V103-F105 HydrophobicContact CG1-CE1 4.33Å; V103-F105 HydrophobicContact CG1-CE2 4.48Å; V103-F105 HydrophobicContact CG1-CZ 4.05Å; V103-A200 PolarHBondContact N-O 3.48Å
104	F	98.8	Very high	98.2	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	-175.6	-58.5	-88.6	0	0	0	110.3	T90 I91 Y99 L106 F123 T125 I127 T196 A200	T90-F104 CarbonylContact C-O 3.37Å; T90-F104 WeakPolarHBondContact CA-O 3.14Å; I91-F104 PolarHBondContact N-O 3.02Å; I91-F104 PolarHBondContact O-N 2.85Å; Y99-F104 HydrophobicContact CD1-CZ 4.04Å; Y99-F104 HydrophobicContact CG-CZ 4.29Å; F104-L106 HydrophobicContact CB-CD1 4.38Å; F104-L106 WeakPolarHBondContact O-CD1 3.17Å; F104-F123 HydrophobicContact CB-CD1 4.24Å; F104-F123 HydrophobicContact CB-CE1 3.84Å; F104-F123 HydrophobicContact CD1-CD1 4.42Å; F104-F123 HydrophobicContact CD1-CE1 4.19Å; F104-F123 HydrophobicContact CG-CE1 4.18Å; F104-T125 HydrophobicContact CD1-CG2 3.84Å; F104-T125 HydrophobicContact CE1-CG2 4.39Å; F104-I127 HydrophobicContact CD1-CB 4.44Å; F104-I127 HydrophobicContact CD1-CD1 4Å; F104-I127 HydrophobicContact CD1-CG1 4.43Å; F104-I127 HydrophobicContact CE1-CB 4.17Å; F104-I127 HydrophobicContact CE1-CD1 3.67Å; F104-I127 HydrophobicContact CE1-CG1 3.85Å; F104-I127 HydrophobicContact CZ-CD1 4.2Å; F104-T196 HydrophobicContact CZ-CG2 4.19Å; F104-A200 HydrophobicContact CD1-CB 4.04Å; F104-A200 HydrophobicContact CE1-CB 3.62Å; F104-A200 HydrophobicContact CE2-CB 4.3Å; F104-A200 HydrophobicContact CZ-CB 3.77Å
105	F	98.7	Very high	98.2	Very high	86 Å²	86	40.4 Å²	40.4	38%	0.377	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.2	173.7	-61.9	-66.3	0	0	0	110.3	S89 T90 V103 R124 T125	S89-F105 WeakPolarHBondContact O-CA 3.46Å; T90-F105 HydrophobicContact CG2-CE1 4.33Å; V103-F105 HydrophobicContact CG1-CE1 4.33Å; V103-F105 HydrophobicContact CG1-CE2 4.48Å; V103-F105 HydrophobicContact CG1-CZ 4.05Å; F105-R124 HydrophobicContact CB-CB 4.26Å; F105-R124 WeakPolarHBondContact O-CA 3.12Å; F105-R124 WeakPolarHBondContact O-CB 3.36Å; F105-R124 PolarHBondContact O-N 3.04Å; F105-T125 PolarHBondContact N-OG1 3.09Å; F105-T125 PolarHBondContact O-N 2.78Å
106	L	98.8	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.7	175.3	-63.5	81.6	0	0	0	109.5	R88 S89 I91 F104 V121 T122 F123 I138 I160	R88-L106 WeakPolarHBondContact CA-O 3.41Å; S89-L106 PolarHBondContact N-O 2.83Å; S89-L106 PolarHBondContact O-N 3.09Å; I91-L106 HydrophobicContact CB-CD1 4.19Å; I91-L106 HydrophobicContact CD1-CD1 3.81Å; I91-L106 HydrophobicContact CD1-CD2 4.05Å; I91-L106 HydrophobicContact CG1-CD1 3.87Å; F104-L106 HydrophobicContact CB-CD1 4.38Å; F104-L106 WeakPolarHBondContact O-CD1 3.17Å; L106-V121 HydrophobicContact CD2-CG1 3.83Å; L106-T122 CarbonylContact C-O 3.56Å; L106-T122 VanDerWaalsContact CA-O 3.28Å; L106-T122 WeakPolarHBondContact CA-O 3.36Å; L106-F123 HydrophobicContact CD1-CD1 4.36Å; L106-F123 HydrophobicContact CD1-CE1 4.12Å; L106-F123 HydrophobicContact CD1-CZ 4.31Å; L106-F123 HydrophobicContact CD2-CD2 3.99Å; L106-F123 HydrophobicContact CD2-CE1 4.5Å; L106-F123 HydrophobicContact CD2-CE2 3.73Å; L106-F123 HydrophobicContact CD2-CG 4.47Å; L106-F123 HydrophobicContact CD2-CZ 4.01Å; L106-F123 HydrophobicContact CG-CD1 4.25Å; L106-F123 HydrophobicContact CG-CD2 4.21Å; L106-F123 HydrophobicContact CG-CE1 4.32Å; L106-F123 HydrophobicContact CG-CE2 4.27Å; L106-F123 HydrophobicContact CG-CG 4.2Å; L106-F123 HydrophobicContact CG-CZ 4.32Å; L106-I138 HydrophobicContact CD2-CD1 4.32Å; L106-I160 HydrophobicContact CD2-CD1 3.99Å; L106-I160 HydrophobicContact CD2-CG2 4.39Å
107	D	98.7	Very high	98.3	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.1	168.4	-71.8	-47.7	0	0	0	109	K80 V121 T122	K80-D107 WeakPolarHBondContact CE-OD1 3.37Å; K80-D107 IonicContact NZ-OD1 2.67Å; K80-D107 PolarHBondContact NZ-OD1 3.11Å; K80-D107 IonicContact NZ-OD2 3.88Å; D107-V121 WeakPolarHBondContact O-CA 3.47Å; D107-T122 PolarHBondContact N-O 2.66Å; D107-T122 PolarHBondContact O-N 3.19Å
108	I	98.8	Very high	98.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.1	178.6	-58.3	172.3	0	0	0	107.6	A77 W87 F110 P119 K120 V121 I153 L157	A77-I108 HydrophobicContact CB-CD1 4.36Å; W87-I108 HydrophobicContact CB-CB 3.94Å; W87-I108 HydrophobicContact CB-CG2 4.42Å; W87-I108 PolarHBondContact N-O 2.6Å; W87-I108 PolarHBondContact O-N 3.12Å; I108-F110 HydrophobicContact CG2-CD2 4.5Å; I108-F110 HydrophobicContact CG2-CE2 3.95Å; I108-F110 HydrophobicContact CG2-CZ 3.99Å; I108-P119 HydrophobicContact CG2-CB 4.11Å; I108-K120 CarbonylContact C-O 3.54Å; I108-K120 WeakPolarHBondContact CA-O 3.44Å; I108-V121 HydrophobicContact CG1-CG1 4.13Å; I108-V121 HydrophobicContact CG1-CG2 4.18Å; I108-V121 HydrophobicContact CG2-CG2 4.37Å; I108-I153 HydrophobicContact CD1-CG2 3.98Å; I108-I153 HydrophobicContact CG2-CD1 3.95Å; I108-L157 HydrophobicContact CD1-CD2 4.37Å
109	T	98.6	Very high	98.3	Very high	59 Å²	59	45.5 Å²	45.5	36%	0.362	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	177.4	-55.6	0	0	0	0	109.9	Y85 P119 K120	Y85-T109 WeakPolarHBondContact O-CA 3.47Å; T109-P119 WeakPolarHBondContact O-CA 3.27Å; T109-K120 PolarHBondContact N-O 3.02Å; T109-K120 PolarHBondContact O-N 3.36Å
110	F	98.5	Very high	98.3	Very high	7 Å²	7	52 Å²	52	3%	0.031	28%	0.28	C	S	.	.			trans	-91.3	141	173.8	-55.4	-91.8	0	0	0	109.7	I60 Y85 W87 I108 Y114 P119 I153	I60-F110 HydrophobicContact CD1-CB 3.61Å; I60-F110 HydrophobicContact CD1-CD1 4.04Å; I60-F110 HydrophobicContact CD1-CD2 4.04Å; I60-F110 HydrophobicContact CD1-CG 3.64Å; I60-F110 HydrophobicContact CG1-CB 4.43Å; I60-F110 HydrophobicContact CG1-CD1 3.92Å; I60-F110 HydrophobicContact CG1-CD2 4.37Å; I60-F110 HydrophobicContact CG1-CE1 4.16Å; I60-F110 HydrophobicContact CG1-CG 4Å; I60-F110 HydrophobicContact CG1-CZ 4.5Å; I60-F110 HydrophobicContact CG2-CD2 4.34Å; I60-F110 HydrophobicContact CG2-CE2 4.05Å; I60-F110 HydrophobicContact CG2-CZ 4.17Å; Y85-F110 HydrophobicContact CD1-CB 3.82Å; Y85-F110 WeakPolarHBondContact O-CD2 3.48Å; Y85-F110 PolarHBondContact O-N 2.73Å; W87-F110 HydrophobicContact CB-CE2 4.2Å; W87-F110 AromaticContact CD1-CE2 3.57Å; W87-F110 AromaticContact CD2-CE2 3.72Å; W87-F110 HydrophobicContact CD2-CE2 3.72Å; W87-F110 HydrophobicContact CD2-CZ 4.04Å; W87-F110 AromaticContact CE2-CE2 3.72Å; W87-F110 HydrophobicContact CE3-CE2 4.42Å; W87-F110 HydrophobicContact CE3-CZ 4.33Å; W87-F110 AromaticContact CG-CE2 3.62Å; W87-F110 HydrophobicContact CG-CE2 3.62Å; W87-F110 HydrophobicContact CG-CZ 4.37Å; W87-F110 HydrophobicContact CZ2-CE2 4.41Å; W87-F110 HydrophobicContact CZ2-CZ 4.34Å; W87-F110 AromaticContact NE1-CE2 3.61Å; I108-F110 HydrophobicContact CG2-CD2 4.5Å; I108-F110 HydrophobicContact CG2-CE2 3.95Å; I108-F110 HydrophobicContact CG2-CZ 3.99Å; F110-Y114 AromaticContact CD1-CD1 3.81Å; F110-Y114 HydrophobicContact CD1-CD1 3.81Å; F110-Y114 AromaticContact CD1-CD2 3.71Å; F110-Y114 HydrophobicContact CD1-CD2 3.71Å; F110-Y114 AromaticContact CD1-CE1 3.91Å; F110-Y114 HydrophobicContact CD1-CE1 3.91Å; F110-Y114 AromaticContact CD1-CE2 3.84Å; F110-Y114 HydrophobicContact CD1-CE2 3.84Å; F110-Y114 AromaticContact CD1-CG 3.7Å; F110-Y114 HydrophobicContact CD1-CG 3.7Å; F110-Y114 AromaticContact CD1-CZ 3.94Å; F110-Y114 HydrophobicContact CE1-CD1 4.26Å; F110-Y114 HydrophobicContact CE1-CD2 4.35Å; F110-Y114 AromaticContact CE1-CE1 3.89Å; F110-Y114 HydrophobicContact CE1-CE1 3.89Å; F110-Y114 HydrophobicContact CE1-CE2 4Å; F110-Y114 HydrophobicContact CE1-CG 4.47Å; F110-Y114 AromaticContact CE1-CZ 3.77Å; F110-P119 HydrophobicContact CD1-CB 4.09Å; F110-P119 HydrophobicContact CE1-CB 4.3Å; F110-I153 HydrophobicContact CE1-CD1 3.56Å; F110-I153 HydrophobicContact CE1-CG1 3.65Å; F110-I153 HydrophobicContact CZ-CD1 3.73Å; F110-I153 HydrophobicContact CZ-CG1 3.55Å
111	S	97.5	Very high	98.3	Very high	34 Å²	34	47 Å²	47	24%	0.238	26%	0.256	C	S	.	.			trans	-86.9	162.2	166.7	70.1	0	0	0	0	110.5	D113 Y114	S111-D113 PolarHBondContact O-N 2.69Å; S111-D113 VanDerWaalsContact O-N 3.07Å; S111-D113 PolarHBondContact OG-N 2.78Å; S111-Y114 WeakPolarHBondContact O-CB 3.38Å; S111-Y114 PolarHBondContact O-N 2.87Å
112	P	97.2	Very high	98.3	Very high	99 Å²	99	45.5 Å²	45.5	64%	0.643	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.9	170.1	-27.6	36.7	0	0	0	114.3	S56 Y114	S56-P112 WeakPolarHBondContact CB-O 3.36Å; S56-P112 PolarHBondContact OG-O 2.78Å; P112-Y114 VanDerWaalsContact C-N 3.33Å
113	D	97.5	Very high	98.3	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.7	179.6	-60.7	-36.4	0	0	0	113.6	S111 F116 K117	S111-D113 PolarHBondContact O-N 2.69Å; S111-D113 VanDerWaalsContact O-N 3.07Å; S111-D113 PolarHBondContact OG-N 2.78Å; D113-F116 WeakPolarHBondContact O-CA 3.34Å; D113-F116 WeakPolarHBondContact O-CB 3.35Å; D113-F116 PolarHBondContact O-N 2.92Å; D113-K117 HydrophobicContact CB-CB 4.19Å; D113-K117 HydrophobicContact CB-CD 3.93Å; D113-K117 HydrophobicContact CB-CG 3.97Å; D113-K117 PolarHBondContact O-N 3.19Å; D113-K117 WeakPolarHBondContact OD2-CD 2.88Å; D113-K117 WeakPolarHBondContact OD2-CE 3.44Å; D113-K117 IonicContact OD2-NZ 2.75Å; D113-K117 PolarHBondContact OD2-NZ 2.87Å
114	Y	98.2	Very high	98.3	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	133.4	177.1	-172	-101.8	0	0	0	111	S56 R59 I60 E63 F110 S111 P112 P119 W147	S56-Y114 VanDerWaalsContact CA-O 3.3Å; S56-Y114 WeakPolarHBondContact CA-O 3.31Å; S56-Y114 WeakPolarHBondContact CB-O 3.26Å; R59-Y114 HydrophobicContact CG-CD1 3.95Å; R59-Y114 HydrophobicContact CG-CE1 3.69Å; I60-Y114 HydrophobicContact CD1-CD1 4.31Å; I60-Y114 HydrophobicContact CG1-CD1 3.66Å; I60-Y114 HydrophobicContact CG1-CE1 4.03Å; E63-Y114 VanDerWaalsContact CD-OH 3.23Å; E63-Y114 VanDerWaalsContact OE1-CE1 3.25Å; E63-Y114 WeakPolarHBondContact OE1-CE1 3.45Å; E63-Y114 VanDerWaalsContact OE1-CZ 3.31Å; E63-Y114 PolarHBondContact OE1-OH 2.89Å; E63-Y114 PolarHBondContact OE2-OH 2.92Å; E63-Y114 VanDerWaalsContact OE2-OH 3.12Å; F110-Y114 AromaticContact CD1-CD1 3.81Å; F110-Y114 HydrophobicContact CD1-CD1 3.81Å; F110-Y114 AromaticContact CD1-CD2 3.71Å; F110-Y114 HydrophobicContact CD1-CD2 3.71Å; F110-Y114 AromaticContact CD1-CE1 3.91Å; F110-Y114 HydrophobicContact CD1-CE1 3.91Å; F110-Y114 AromaticContact CD1-CE2 3.84Å; F110-Y114 HydrophobicContact CD1-CE2 3.84Å; F110-Y114 AromaticContact CD1-CG 3.7Å; F110-Y114 HydrophobicContact CD1-CG 3.7Å; F110-Y114 AromaticContact CD1-CZ 3.94Å; F110-Y114 HydrophobicContact CE1-CD1 4.26Å; F110-Y114 HydrophobicContact CE1-CD2 4.35Å; F110-Y114 AromaticContact CE1-CE1 3.89Å; F110-Y114 HydrophobicContact CE1-CE1 3.89Å; F110-Y114 HydrophobicContact CE1-CE2 4Å; F110-Y114 HydrophobicContact CE1-CG 4.47Å; F110-Y114 AromaticContact CE1-CZ 3.77Å; S111-Y114 WeakPolarHBondContact O-CB 3.38Å; S111-Y114 PolarHBondContact O-N 2.87Å; P112-Y114 VanDerWaalsContact C-N 3.33Å; Y114-P119 HydrophobicContact CE2-CG 4.38Å; Y114-W147 HydrophobicContact CD2-CZ2 4.18Å; Y114-W147 AromaticContact CE2-CH2 3.67Å; Y114-W147 HydrophobicContact CE2-CH2 3.67Å; Y114-W147 AromaticContact CE2-CZ2 3.59Å; Y114-W147 HydrophobicContact CE2-CZ2 3.59Å
115	P	97.7	Very high	98.3	Very high	11 Å²	11	51 Å²	51	7%	0.071	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	13.7	12.2	39.4	-37.4	0	0	0	114.8	R59 K117 W147 P149	R59-P115 HydrophobicContact CG-CB 4.3Å; R59-P115 HydrophobicContact CG-CG 4.19Å; P115-K117 VanDerWaalsContact C-N 3.34Å; P115-W147 PolarHBondContact O-NE1 2.71Å; P115-P149 HydrophobicContact CB-CB 4.26Å; P115-P149 HydrophobicContact CG-CB 4.16Å; P115-P149 VanDerWaalsContact O-CA 3.31Å; P115-P149 WeakPolarHBondContact O-CA 3.28Å; P115-P149 WeakPolarHBondContact O-CB 3.27Å
116	F	97.6	Very high	98.3	Very high	156 Å²	156	54.5 Å²	54.5	68%	0.684	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.2	-179.2	-58.2	-74.7	0	0	0	113.3	D113 P149	D113-F116 WeakPolarHBondContact O-CA 3.34Å; D113-F116 WeakPolarHBondContact O-CB 3.35Å; D113-F116 PolarHBondContact O-N 2.92Å; F116-P149 HydrophobicContact CD1-CB 4.49Å; F116-P149 HydrophobicContact CD1-CG 3.99Å
117	K	97.7	Very high	98.3	Very high	111 Å²	111	55.1 Å²	55.1	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-115.1	146.9	166.4	-70.4	-174	-177	156.8	0	110.8	D113 P115 W147	D113-K117 HydrophobicContact CB-CB 4.19Å; D113-K117 HydrophobicContact CB-CD 3.93Å; D113-K117 HydrophobicContact CB-CG 3.97Å; D113-K117 PolarHBondContact O-N 3.19Å; D113-K117 WeakPolarHBondContact OD2-CD 2.88Å; D113-K117 WeakPolarHBondContact OD2-CE 3.44Å; D113-K117 IonicContact OD2-NZ 2.75Å; D113-K117 PolarHBondContact OD2-NZ 2.87Å; P115-K117 VanDerWaalsContact C-N 3.34Å; K117-W147 VanDerWaalsContact C-NE1 3.34Å
118	P	98.1	Very high	98.3	Very high	41 Å²	41	54.8 Å²	54.8	27%	0.266	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-61.9	151.9	177.2	24.7	-32.2	0	0	0	111.4	W147	P118-W147 VanDerWaalsContact CA-CD2 3.46Å; P118-W147 HydrophobicContact CB-CB 3.95Å; P118-W147 HydrophobicContact CB-CD2 3.59Å; P118-W147 HydrophobicContact CB-CE3 3.82Å; P118-W147 HydrophobicContact CB-CG 3.63Å; P118-W147 HydrophobicContact CG-CB 4.12Å; P118-W147 HydrophobicContact CG-CG 4.08Å
119	P	98.5	Very high	98.3	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.026	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-69.5	146.3	167	32.3	-32.5	0	0	0	109.2	I108 T109 F110 Y114 V121 L143 W147 I153	I108-P119 HydrophobicContact CG2-CB 4.11Å; T109-P119 WeakPolarHBondContact O-CA 3.27Å; F110-P119 HydrophobicContact CD1-CB 4.09Å; F110-P119 HydrophobicContact CE1-CB 4.3Å; Y114-P119 HydrophobicContact CE2-CG 4.38Å; P119-V121 HydrophobicContact CB-CG2 4.44Å; P119-V121 HydrophobicContact CG-CG2 4.23Å; P119-V121 PolarHBondContact O-N 3.09Å; P119-L143 HydrophobicContact CG-CD2 4.41Å; P119-W147 HydrophobicContact CG-CH2 4.42Å; P119-W147 HydrophobicContact CG-CZ3 4.4Å; P119-I153 HydrophobicContact CB-CD1 4.1Å; P119-I153 HydrophobicContact CG-CD1 3.73Å
120	K	98.5	Very high	98.3	Very high	143 Å²	143	51.9 Å²	51.9	62%	0.622	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	119	168.6	-179.2	179.6	177	-178.1	0	108.3	I108 T109	I108-K120 CarbonylContact C-O 3.54Å; I108-K120 WeakPolarHBondContact CA-O 3.44Å; T109-K120 PolarHBondContact N-O 3.02Å; T109-K120 PolarHBondContact O-N 3.36Å
121	V	98.7	Very high	98.3	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	177.6	-172.7	0	0	0	0	109.6	L106 D107 I108 P119 I138 L143 V156 I160	L106-V121 HydrophobicContact CD2-CG1 3.83Å; D107-V121 WeakPolarHBondContact O-CA 3.47Å; I108-V121 HydrophobicContact CG1-CG1 4.13Å; I108-V121 HydrophobicContact CG1-CG2 4.18Å; I108-V121 HydrophobicContact CG2-CG2 4.37Å; P119-V121 HydrophobicContact CB-CG2 4.44Å; P119-V121 HydrophobicContact CG-CG2 4.23Å; P119-V121 PolarHBondContact O-N 3.09Å; V121-I138 HydrophobicContact CB-CD1 4.36Å; V121-I138 HydrophobicContact CG1-CD1 3.93Å; V121-L143 HydrophobicContact CB-CD1 4.05Å; V121-L143 HydrophobicContact CG2-CD1 4.35Å; V121-L143 HydrophobicContact CG2-CD2 4.06Å; V121-V156 HydrophobicContact CG2-CG1 4.15Å; V121-I160 HydrophobicContact CG1-CD1 3.83Å
122	T	98.6	Very high	98.3	Very high	27 Å²	27	50.1 Å²	50.1	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.7	179.1	51.3	0	0	0	0	111.5	L106 D107 R124 G136	L106-T122 CarbonylContact C-O 3.56Å; L106-T122 VanDerWaalsContact CA-O 3.28Å; L106-T122 WeakPolarHBondContact CA-O 3.36Å; D107-T122 PolarHBondContact N-O 2.66Å; D107-T122 PolarHBondContact O-N 3.19Å; T122-R124 PolarHBondContact O-N 3.18Å; T122-G136 CarbonylContact C-O 3.49Å; T122-G136 VanDerWaalsContact CA-O 3.26Å; T122-G136 WeakPolarHBondContact CA-O 3.42Å
123	F	98.7	Very high	98.3	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.6	169.1	-84.6	-104	0	0	0	110.6	F104 L106 I127 I132 G136 I138 I160 L164	F104-F123 HydrophobicContact CB-CD1 4.24Å; F104-F123 HydrophobicContact CB-CE1 3.84Å; F104-F123 HydrophobicContact CD1-CD1 4.42Å; F104-F123 HydrophobicContact CD1-CE1 4.19Å; F104-F123 HydrophobicContact CG-CE1 4.18Å; L106-F123 HydrophobicContact CD1-CD1 4.36Å; L106-F123 HydrophobicContact CD1-CE1 4.12Å; L106-F123 HydrophobicContact CD1-CZ 4.31Å; L106-F123 HydrophobicContact CD2-CD2 3.99Å; L106-F123 HydrophobicContact CD2-CE1 4.5Å; L106-F123 HydrophobicContact CD2-CE2 3.73Å; L106-F123 HydrophobicContact CD2-CG 4.47Å; L106-F123 HydrophobicContact CD2-CZ 4.01Å; L106-F123 HydrophobicContact CG-CD1 4.25Å; L106-F123 HydrophobicContact CG-CD2 4.21Å; L106-F123 HydrophobicContact CG-CE1 4.32Å; L106-F123 HydrophobicContact CG-CE2 4.27Å; L106-F123 HydrophobicContact CG-CG 4.2Å; L106-F123 HydrophobicContact CG-CZ 4.32Å; F123-I127 HydrophobicContact CD1-CG2 4.22Å; F123-I127 HydrophobicContact CE1-CD1 4.15Å; F123-I127 HydrophobicContact CG-CG2 4.46Å; F123-I132 HydrophobicContact CB-CG2 4.22Å; F123-I132 HydrophobicContact CD2-CD1 3.8Å; F123-I132 HydrophobicContact CD2-CG1 4.38Å; F123-I132 HydrophobicContact CD2-CG2 4.02Å; F123-I132 HydrophobicContact CE1-CD1 4.35Å; F123-I132 HydrophobicContact CE2-CD1 3.45Å; F123-I132 VanDerWaalsContact CE2-CD1 3.45Å; F123-I132 HydrophobicContact CE2-CG1 4.32Å; F123-I132 HydrophobicContact CG-CD1 4.39Å; F123-I132 HydrophobicContact CG-CG2 4.23Å; F123-I132 HydrophobicContact CZ-CD1 3.76Å; F123-G136 PolarHBondContact N-O 3.35Å; F123-G136 WeakPolarHBondContact O-CA 3.29Å; F123-I138 HydrophobicContact CD2-CD1 3.63Å; F123-I138 HydrophobicContact CD2-CG1 3.7Å; F123-I138 HydrophobicContact CE2-CD1 3.61Å; F123-I138 HydrophobicContact CE2-CG1 3.95Å; F123-I160 HydrophobicContact CE2-CG2 3.87Å; F123-I160 HydrophobicContact CZ-CG2 3.81Å; F123-L164 HydrophobicContact CZ-CD1 4.4Å; F123-L164 HydrophobicContact CZ-CD2 4.21Å
124	R	98.5	Very high	98.4	Very high	145 Å²	145	49 Å²	49	55%	0.547	23%	0.231	S	C	.	.	S	Bend	trans	-91.7	-37	168	-177.3	175.4	170.3	177.9	-2.7	110.9	R88 F105 T122	R88-R124 VanDerWaalsContact NH2-NH1 3.11Å; F105-R124 HydrophobicContact CB-CB 4.26Å; F105-R124 WeakPolarHBondContact O-CA 3.12Å; F105-R124 WeakPolarHBondContact O-CB 3.36Å; F105-R124 PolarHBondContact O-N 3.04Å; T122-R124 PolarHBondContact O-N 3.18Å
125	T	98.6	Very high	98.3	Very high	15 Å²	15	56 Å²	56	9%	0.092	26%	0.264	C	S	.	.	S	Bend	trans	-73.6	132.6	172.6	-59.8	0	0	0	0	110.1	F104 F105 Y199 A200	F104-T125 HydrophobicContact CD1-CG2 3.84Å; F104-T125 HydrophobicContact CE1-CG2 4.39Å; F105-T125 PolarHBondContact N-OG1 3.09Å; F105-T125 PolarHBondContact O-N 2.78Å; T125-Y199 VanDerWaalsContact CG2-O 3.27Å; T125-Y199 WeakPolarHBondContact CG2-O 3.45Å; T125-A200 HydrophobicContact CG2-CB 3.84Å
126	R	98.6	Very high	98.4	Very high	159 Å²	159	55.8 Å²	55.8	60%	0.6	26%	0.263	S	S	*	.			trans	-65.9	137	174.9	-65.5	-177.8	-178.5	179.7	0.6	110.1	W195 Y199	R126-W195 HydrophobicContact CB-CE3 4.48Å; R126-W195 HydrophobicContact CB-CZ3 4.31Å; R126-Y199 HydrophobicContact CB-CD2 4.14Å; R126-Y199 HydrophobicContact CB-CG 4.03Å
127	I	98.8	Very high	98.4	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.067	25%	0.249	C	C	.	.			trans	-140.6	145.6	-178.8	-168.4	170.3	0	0	0	110.4	Y99 F104 F123 H129 I132 L164	Y99-I127 HydrophobicContact CD1-CD1 3.81Å; Y99-I127 HydrophobicContact CD1-CG1 3.95Å; Y99-I127 HydrophobicContact CE1-CD1 3.7Å; Y99-I127 HydrophobicContact CE1-CG1 3.58Å; Y99-I127 HydrophobicContact CG-CD1 4.36Å; F104-I127 HydrophobicContact CD1-CB 4.44Å; F104-I127 HydrophobicContact CD1-CD1 4Å; F104-I127 HydrophobicContact CD1-CG1 4.43Å; F104-I127 HydrophobicContact CE1-CB 4.17Å; F104-I127 HydrophobicContact CE1-CD1 3.67Å; F104-I127 HydrophobicContact CE1-CG1 3.85Å; F104-I127 HydrophobicContact CZ-CD1 4.2Å; F123-I127 HydrophobicContact CD1-CG2 4.22Å; F123-I127 HydrophobicContact CE1-CD1 4.15Å; F123-I127 HydrophobicContact CG-CG2 4.46Å; I127-H129 HydrophobicContact CG1-CB 4.29Å; I127-H129 HydrophobicContact CG2-CB 4.35Å; I127-I132 HydrophobicContact CD1-CD1 4.24Å; I127-I132 HydrophobicContact CG2-CB 3.88Å; I127-I132 HydrophobicContact CG2-CD1 3.74Å; I127-I132 HydrophobicContact CG2-CG1 4.43Å; I127-I132 HydrophobicContact CG2-CG2 3.66Å; I127-L164 HydrophobicContact CD1-CD2 3.5Å; I127-L164 VanDerWaalsContact CD1-CD2 3.5Å
128	Y	98.8	Very high	98.4	Very high	26 Å²	26	46.4 Å²	46.4	10%	0.102	23%	0.228	C	C	.	.			trans	-95.6	90.9	175.5	-168.8	-98.4	0	0	0	109.1	Y99 I177 Q180 H188 M191 A192 W195	Y99-Y128 PolarHBondContact OH-O 2.91Å; Y128-I177 HydrophobicContact CD1-CG2 4.12Å; Y128-I177 HydrophobicContact CD2-CD1 3.78Å; Y128-I177 HydrophobicContact CD2-CG1 4.29Å; Y128-I177 HydrophobicContact CE1-CD1 4.48Å; Y128-I177 HydrophobicContact CE1-CG1 4.25Å; Y128-I177 HydrophobicContact CE1-CG2 3.75Å; Y128-I177 HydrophobicContact CE2-CD1 3.71Å; Y128-I177 HydrophobicContact CE2-CG1 3.71Å; Y128-I177 HydrophobicContact CG-CD1 4.18Å; Y128-Q180 PolarHBondContact OH-OE1 3.19Å; Y128-H188 AromaticContact CE1-CD2 3.76Å; Y128-M191 HydrophobicContact CD1-CB 4.13Å; Y128-M191 HydrophobicContact CE1-CB 3.85Å; Y128-A192 HydrophobicContact CD1-CB 4.11Å; Y128-W195 HydrophobicContact CD2-CD2 4.1Å; Y128-W195 AromaticContact CD2-CE2 3.85Å; Y128-W195 HydrophobicContact CD2-CG 4.46Å; Y128-W195 HydrophobicContact CD2-CH2 4.5Å; Y128-W195 HydrophobicContact CD2-CZ2 4.08Å; Y128-W195 HydrophobicContact CG-CD2 4.38Å; Y128-W195 HydrophobicContact CG-CG 4.44Å
129	H	98.7	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-147.6	135.2	-173.9	-170.3	-72.8	0	0	0	110.3	Y99 I127 N131 I132 L163 C167	Y99-H129 AromaticContact CE2-CD2 3.91Å; Y99-H129 AromaticContact CZ-CD2 3.74Å; Y99-H129 PolarHBondContact OH-CD2 2.88Å; I127-H129 HydrophobicContact CG1-CB 4.29Å; I127-H129 HydrophobicContact CG2-CB 4.35Å; H129-N131 VanDerWaalsContact C-N 3.33Å; H129-N131 PolarHBondContact CE1-OD1 3.15Å; H129-N131 PolarHBondContact ND1-N 3.48Å; H129-N131 PolarHBondContact O-N 3.18Å; H129-I132 HydrophobicContact CB-CB 4.13Å; H129-I132 HydrophobicContact CB-CD1 3.98Å; H129-I132 HydrophobicContact CB-CG1 4.17Å; H129-I132 PolarHBondContact O-N 3.15Å; H129-L163 PolarHBondContact NE2-O 3.07Å; H129-C167 VanDerWaalsContact CE1-CB 3.47Å; H129-C167 WeakPolarHBondContact CE1-CB 3.48Å; H129-C167 WeakPolarHBondContact NE2-CB 3.4Å
130	C	98.4	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31	-174.4	62	0	0	0	0	113.7	C167 P172 L173 V174 I177 A178	C130-C167 VanDerWaalsContact SG-SG 3.66Å; C130-P172 HydrophobicContact CB-CB 4.15Å; C130-L173 PolarHBondContact O-N 3.18Å; C130-V174 PolarHBondContact O-N 2.94Å; C130-I177 HydrophobicContact CB-CB 4.11Å; C130-I177 HydrophobicContact CB-CG2 3.91Å; C130-A178 HydrophobicContact CB-CB 3.85Å
131	N	98.6	Very high	98	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6	175.1	-46.9	101.8	0	0	0	114.6	H129 C139 L163 N168 D171 L173	H129-N131 VanDerWaalsContact C-N 3.33Å; H129-N131 PolarHBondContact CE1-OD1 3.15Å; H129-N131 PolarHBondContact ND1-N 3.48Å; H129-N131 PolarHBondContact O-N 3.18Å; N131-C139 HydrophobicContact CB-CB 4.36Å; N131-C139 PolarHBondContact O-N 3.2Å; N131-L163 HydrophobicContact CB-CD1 4.32Å; N131-L163 HydrophobicContact CB-CD2 4.1Å; N131-N168 PolarHBondContact ND2-O 3.25Å; N131-N168 PolarHBondContact OD1-N 2.57Å; N131-D171 PolarHBondContact ND2-O 3.43Å; N131-L173 WeakPolarHBondContact O-CD1 3.46Å
132	I	98.7	Very high	97.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-128.3	117.4	177.5	-53.1	166.4	0	0	0	109	F123 I127 H129 V137 I138 L164	F123-I132 HydrophobicContact CB-CG2 4.22Å; F123-I132 HydrophobicContact CD2-CD1 3.8Å; F123-I132 HydrophobicContact CD2-CG1 4.38Å; F123-I132 HydrophobicContact CD2-CG2 4.02Å; F123-I132 HydrophobicContact CE1-CD1 4.35Å; F123-I132 HydrophobicContact CE2-CD1 3.45Å; F123-I132 VanDerWaalsContact CE2-CD1 3.45Å; F123-I132 HydrophobicContact CE2-CG1 4.32Å; F123-I132 HydrophobicContact CG-CD1 4.39Å; F123-I132 HydrophobicContact CG-CG2 4.23Å; F123-I132 HydrophobicContact CZ-CD1 3.76Å; I127-I132 HydrophobicContact CD1-CD1 4.24Å; I127-I132 HydrophobicContact CG2-CB 3.88Å; I127-I132 HydrophobicContact CG2-CD1 3.74Å; I127-I132 HydrophobicContact CG2-CG1 4.43Å; I127-I132 HydrophobicContact CG2-CG2 3.66Å; H129-I132 HydrophobicContact CB-CB 4.13Å; H129-I132 HydrophobicContact CB-CD1 3.98Å; H129-I132 HydrophobicContact CB-CG1 4.17Å; H129-I132 PolarHBondContact O-N 3.15Å; I132-V137 VanDerWaalsContact CA-O 3.31Å; I132-V137 WeakPolarHBondContact CA-O 3.37Å; I132-I138 HydrophobicContact CG1-CG1 4.49Å; I132-I138 HydrophobicContact CG1-CG2 4.46Å; I132-L164 HydrophobicContact CD1-CD2 4.02Å
133	N	97.9	Very high	97.7	Very high	46 Å²	46	43.3 Å²	43.3	25%	0.246	21%	0.214	C	C	.	.			trans	-82.8	176.9	-177.3	75.9	11.7	0	0	0	113	Q135 G136 V137 L173 V174	N133-Q135 PolarHBondContact O-N 2.85Å; N133-Q135 VanDerWaalsContact O-N 3.11Å; N133-Q135 WeakPolarHBondContact OD1-CA 3.37Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.25Å; N133-Q135 PolarHBondContact OD1-N 2.79Å; N133-G136 PolarHBondContact O-N 3.18Å; N133-G136 PolarHBondContact OD1-N 3.02Å; N133-V137 PolarHBondContact N-O 2.93Å; N133-V137 VanDerWaalsContact N-O 3.09Å; N133-V137 WeakPolarHBondContact OD1-CB 3.49Å; N133-V137 PolarHBondContact OD1-N 2.83Å; N133-L173 HydrophobicContact CB-CB 4.12Å; N133-L173 HydrophobicContact CB-CD1 4.33Å; N133-V174 HydrophobicContact CB-CG2 4.13Å
134	S	97.6	Very high	97.5	Very high	108 Å²	108	47.8 Å²	47.8	76%	0.755	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.4	-178.7	60.3	0	0	0	0	114.9
135	Q	97.9	Very high	97.2	Very high	149 Å²	149	48.1 Å²	48.1	70%	0.696	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.7	173.8	-54.9	-55.8	-53.2	0	0	112.4	N133 V137	N133-Q135 PolarHBondContact O-N 2.85Å; N133-Q135 VanDerWaalsContact O-N 3.11Å; N133-Q135 WeakPolarHBondContact OD1-CA 3.37Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.25Å; N133-Q135 PolarHBondContact OD1-N 2.79Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 HydrophobicContact CB-CG2 4.44Å; Q135-V137 PolarHBondContact O-N 3.37Å
136	G	98.3	Very high	97.1	Very high	6 Å²	6	52.1 Å²	52.1	6%	0.062	27%	0.267	C	S	.	.			trans	77	9.4	-179.6	0	0	0	0	0	115	T122 F123 N133	T122-G136 CarbonylContact C-O 3.49Å; T122-G136 VanDerWaalsContact CA-O 3.26Å; T122-G136 WeakPolarHBondContact CA-O 3.42Å; F123-G136 PolarHBondContact N-O 3.35Å; F123-G136 WeakPolarHBondContact O-CA 3.29Å; N133-G136 PolarHBondContact O-N 3.18Å; N133-G136 PolarHBondContact OD1-N 3.02Å
137	V	98.1	Very high	97.1	Very high	63 Å²	63	46 Å²	46	38%	0.382	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-67.6	134.7	174.3	-179.9	0	0	0	0	108.9	I132 N133 Q135 L173	I132-V137 VanDerWaalsContact CA-O 3.31Å; I132-V137 WeakPolarHBondContact CA-O 3.37Å; N133-V137 PolarHBondContact N-O 2.93Å; N133-V137 VanDerWaalsContact N-O 3.09Å; N133-V137 WeakPolarHBondContact OD1-CB 3.49Å; N133-V137 PolarHBondContact OD1-N 2.83Å; Q135-V137 VanDerWaalsContact C-N 3.29Å; Q135-V137 HydrophobicContact CB-CG2 4.44Å; Q135-V137 PolarHBondContact O-N 3.37Å; V137-L173 HydrophobicContact CB-CD1 4.4Å; V137-L173 HydrophobicContact CG1-CD1 4.22Å; V137-L173 WeakPolarHBondContact O-CD1 3.46Å
138	I	98.2	Very high	97	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.036	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-103.7	128.8	-177.8	-49.3	171.4	0	0	0	108.6	L106 V121 F123 I132 L140 I160 L163	L106-I138 HydrophobicContact CD2-CD1 4.32Å; V121-I138 HydrophobicContact CB-CD1 4.36Å; V121-I138 HydrophobicContact CG1-CD1 3.93Å; F123-I138 HydrophobicContact CD2-CD1 3.63Å; F123-I138 HydrophobicContact CD2-CG1 3.7Å; F123-I138 HydrophobicContact CE2-CD1 3.61Å; F123-I138 HydrophobicContact CE2-CG1 3.95Å; I132-I138 HydrophobicContact CG1-CG1 4.49Å; I132-I138 HydrophobicContact CG1-CG2 4.46Å; I138-L140 HydrophobicContact CG2-CB 3.9Å; I138-L140 PolarHBondContact O-N 3.48Å; I138-I160 HydrophobicContact CD1-CD1 3.82Å; I138-I160 HydrophobicContact CD1-CG1 4.26Å; I138-L163 HydrophobicContact CG2-CD2 3.84Å
139	C	96.6	Very high	97	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.074	27%	0.27	C	S	.	.			trans	-87.3	100.3	162.3	-160.8	0	0	0	0	108.7	N131 K144 D171 L173	N131-C139 HydrophobicContact CB-CB 4.36Å; N131-C139 PolarHBondContact O-N 3.2Å; C139-K144 PolarHBondContact SG-NZ 2.98Å; C139-D171 PolarHBondContact SG-OD2 3.49Å; C139-L173 HydrophobicContact CB-CD1 3.94Å; C139-L173 HydrophobicContact CB-CD2 3.94Å; C139-L173 HydrophobicContact CB-CG 3.67Å
140	L	95.8	Very high	96.9	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.094	30%	0.296	C	S	.	.			trans	-140.4	124.1	174.4	-176.4	65.1	0	0	0	106.8	I138 I142 L143 I160	I138-L140 HydrophobicContact CG2-CB 3.9Å; I138-L140 PolarHBondContact O-N 3.48Å; L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 HydrophobicContact CD1-CG1 4.42Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 3.67Å; L140-I142 HydrophobicContact CG-CD1 4.47Å; L140-I142 HydrophobicContact CG-CG1 3.67Å; L140-I142 PolarHBondContact O-N 2.96Å; L140-L143 HydrophobicContact CB-CD1 4.2Å; L140-L143 HydrophobicContact CB-CG 4.37Å; L140-L143 HydrophobicContact CD2-CD1 4.23Å; L140-L143 HydrophobicContact CD2-CG 4.26Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 2.95Å; L140-I160 HydrophobicContact CD2-CG1 3.92Å
141	D	93.6	Very high	96.9	Very high	84 Å²	84	53.8 Å²	53.8	45%	0.449	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.2	-37.5	-171.6	66.7	-33.1	0	0	0	113	L143 K144 D145 N146	D141-L143 PolarHBondContact O-N 3.26Å; D141-K144 CarbonylContact O-C 3.54Å; D141-K144 WeakPolarHBondContact O-CA 3.31Å; D141-K144 PolarHBondContact O-N 3.16Å; D141-D145 PolarHBondContact O-N 3.16Å; D141-N146 HydrophobicContact CB-CB 4.3Å; D141-N146 PolarHBondContact O-N 3.12Å; D141-N146 VanDerWaalsContact O-N 3.09Å; D141-N146 PolarHBondContact OD2-ND2 3.4Å
142	I	96.4	Very high	96.9	Very high	22 Å²	22	54.9 Å²	54.9	11%	0.113	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-66.2	-15.2	176.6	62.5	158.3	0	0	0	113.2	L140 K144 N146 W147 L151 V156 S159	L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 HydrophobicContact CD1-CG1 4.42Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 3.67Å; L140-I142 HydrophobicContact CG-CD1 4.47Å; L140-I142 HydrophobicContact CG-CG1 3.67Å; L140-I142 PolarHBondContact O-N 2.96Å; I142-K144 VanDerWaalsContact C-N 3.32Å; I142-N146 HydrophobicContact CG2-CB 4.48Å; I142-W147 WeakPolarHBondContact O-CA 3.48Å; I142-W147 WeakPolarHBondContact O-CB 3.34Å; I142-W147 VanDerWaalsContact O-CE3 3.3Å; I142-L151 HydrophobicContact CB-CD1 3.81Å; I142-L151 HydrophobicContact CD1-CD1 4.41Å; I142-L151 HydrophobicContact CG2-CD1 4.09Å; I142-V156 HydrophobicContact CD1-CG2 4.11Å; I142-S159 WeakPolarHBondContact CD1-OG 3.3Å
143	L	95.8	Very high	96.9	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.126	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-91.4	3.7	171.9	-63.7	178	0	0	0	112.7	P119 V121 L140 D141 V156	P119-L143 HydrophobicContact CG-CD2 4.41Å; V121-L143 HydrophobicContact CB-CD1 4.05Å; V121-L143 HydrophobicContact CG2-CD1 4.35Å; V121-L143 HydrophobicContact CG2-CD2 4.06Å; L140-L143 HydrophobicContact CB-CD1 4.2Å; L140-L143 HydrophobicContact CB-CG 4.37Å; L140-L143 HydrophobicContact CD2-CD1 4.23Å; L140-L143 HydrophobicContact CD2-CG 4.26Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 2.95Å; D141-L143 PolarHBondContact O-N 3.26Å; L143-V156 HydrophobicContact CD2-CG1 3.85Å; L143-V156 HydrophobicContact CD2-CG2 4.34Å
144	K	92.9	Very high	96.9	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-112.1	-178.4	-61.8	179.4	-178.3	173.4	0	109.8	C139 D141 I142 N146 W147	C139-K144 PolarHBondContact SG-NZ 2.98Å; D141-K144 CarbonylContact O-C 3.54Å; D141-K144 WeakPolarHBondContact O-CA 3.31Å; D141-K144 PolarHBondContact O-N 3.16Å; I142-K144 VanDerWaalsContact C-N 3.32Å; K144-N146 VanDerWaalsContact C-N 3.35Å; K144-N146 PolarHBondContact O-N 3.35Å; K144-W147 PolarHBondContact O-N 3.03Å
145	D	93	Very high	96.9	Very high	153 Å²	153	53.7 Å²	53.7	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.2	-167.5	-53.2	-40.8	0	0	0	112.7	D141	D141-D145 PolarHBondContact O-N 3.16Å
146	N	96.4	Very high	96.9	Very high	98 Å²	98	46.6 Å²	46.6	52%	0.524	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.2	179.4	-71	-20.9	0	0	0	113	D141 I142 K144 S148	D141-N146 HydrophobicContact CB-CB 4.3Å; D141-N146 PolarHBondContact O-N 3.12Å; D141-N146 VanDerWaalsContact O-N 3.09Å; D141-N146 PolarHBondContact OD2-ND2 3.4Å; I142-N146 HydrophobicContact CG2-CB 4.48Å; K144-N146 VanDerWaalsContact C-N 3.35Å; K144-N146 PolarHBondContact O-N 3.35Å; N146-S148 PolarHBondContact O-N 3.32Å
147	W	98.3	Very high	96.9	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.117	26%	0.257	C	S	.	.			trans	-64.7	135	172.1	175.7	-104.6	0	0	0	110.9	Y114 P115 K117 P118 P119 I142 K144 L151 V156	Y114-W147 HydrophobicContact CD2-CZ2 4.18Å; Y114-W147 AromaticContact CE2-CH2 3.67Å; Y114-W147 HydrophobicContact CE2-CH2 3.67Å; Y114-W147 AromaticContact CE2-CZ2 3.59Å; Y114-W147 HydrophobicContact CE2-CZ2 3.59Å; P115-W147 PolarHBondContact O-NE1 2.71Å; K117-W147 VanDerWaalsContact C-NE1 3.34Å; P118-W147 VanDerWaalsContact CA-CD2 3.46Å; P118-W147 HydrophobicContact CB-CB 3.95Å; P118-W147 HydrophobicContact CB-CD2 3.59Å; P118-W147 HydrophobicContact CB-CE3 3.82Å; P118-W147 HydrophobicContact CB-CG 3.63Å; P118-W147 HydrophobicContact CG-CB 4.12Å; P118-W147 HydrophobicContact CG-CG 4.08Å; P119-W147 HydrophobicContact CG-CH2 4.42Å; P119-W147 HydrophobicContact CG-CZ3 4.4Å; I142-W147 WeakPolarHBondContact O-CA 3.48Å; I142-W147 WeakPolarHBondContact O-CB 3.34Å; I142-W147 VanDerWaalsContact O-CE3 3.3Å; K144-W147 PolarHBondContact O-N 3.03Å; W147-L151 HydrophobicContact CE3-CB 4.1Å; W147-L151 HydrophobicContact CE3-CD1 3.78Å; W147-L151 HydrophobicContact CH2-CB 3.93Å; W147-L151 HydrophobicContact CZ3-CB 3.61Å; W147-L151 HydrophobicContact CZ3-CD1 4.07Å; W147-L151 HydrophobicContact CZ3-CG 4.5Å; W147-V156 HydrophobicContact CZ3-CG2 3.97Å
148	S	97.9	Very high	96.9	Very high	51 Å²	51	47.2 Å²	47.2	36%	0.357	26%	0.259	S	S	.	.			trans	-128.1	139	172.8	171.4	0	0	0	0	109.8	N146 A150 L151	N146-S148 PolarHBondContact O-N 3.32Å; S148-A150 PolarHBondContact O-N 2.89Å; S148-A150 PolarHBondContact OG-N 3.35Å; S148-L151 WeakPolarHBondContact O-CB 3.38Å; S148-L151 PolarHBondContact O-N 3.42Å
149	P	97.5	Very high	96.8	Very high	53 Å²	53	48.8 Å²	48.8	34%	0.344	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.3	174.1	-23.7	33.4	0	0	0	114.9	R59 P115 F116	R59-P149 PolarHBondContact NH1-O 3.43Å; R59-P149 PolarHBondContact NH2-O 2.88Å; P115-P149 HydrophobicContact CB-CB 4.26Å; P115-P149 HydrophobicContact CG-CB 4.16Å; P115-P149 VanDerWaalsContact O-CA 3.31Å; P115-P149 WeakPolarHBondContact O-CA 3.28Å; P115-P149 WeakPolarHBondContact O-CB 3.27Å; F116-P149 HydrophobicContact CD1-CB 4.49Å; F116-P149 HydrophobicContact CD1-CG 3.99Å
150	A	97.8	Very high	96.9	Very high	68 Å²	68	48.3 Å²	48.3	56%	0.562	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.4	174.1	0	0	0	0	0	114.1	S148 K155	S148-A150 PolarHBondContact O-N 2.89Å; S148-A150 PolarHBondContact OG-N 3.35Å; A150-K155 PolarHBondContact O-NZ 2.92Å
151	L	98.2	Very high	97	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.157	27%	0.268	C	S	.	.			trans	-74.9	150.9	169.4	-65.7	174.8	0	0	0	110.1	R59 I142 W147 S148 K155	R59-L151 PolarHBondContact NH2-O 3.42Å; I142-L151 HydrophobicContact CB-CD1 3.81Å; I142-L151 HydrophobicContact CD1-CD1 4.41Å; I142-L151 HydrophobicContact CG2-CD1 4.09Å; W147-L151 HydrophobicContact CE3-CB 4.1Å; W147-L151 HydrophobicContact CE3-CD1 3.78Å; W147-L151 HydrophobicContact CH2-CB 3.93Å; W147-L151 HydrophobicContact CZ3-CB 3.61Å; W147-L151 HydrophobicContact CZ3-CD1 4.07Å; W147-L151 HydrophobicContact CZ3-CG 4.5Å; S148-L151 WeakPolarHBondContact O-CB 3.38Å; S148-L151 PolarHBondContact O-N 3.42Å; L151-K155 HydrophobicContact CD2-CB 4.34Å; L151-K155 HydrophobicContact CD2-CD 4.02Å
152	T	98	Very high	97.1	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	27%	0.271	C	S	.	.			trans	-126.3	165	178.1	62.2	0	0	0	0	109.3	E63 S154 K155 V156	E63-T152 HydrophobicContact CG-CG2 4.45Å; E63-T152 VanDerWaalsContact OE2-CA 3.28Å; E63-T152 WeakPolarHBondContact OE2-CA 3.28Å; E63-T152 WeakPolarHBondContact OE2-CB 3.14Å; T152-S154 PolarHBondContact O-N 2.87Å; T152-K155 PolarHBondContact O-N 3.43Å; T152-K155 VanDerWaalsContact O-N 3.12Å; T152-K155 PolarHBondContact OG1-N 3.44Å; T152-V156 WeakPolarHBondContact O-CG2 3.46Å; T152-V156 PolarHBondContact O-N 3.26Å
153	I	98.3	Very high	97.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-40	174	-66.4	-52.6	0	0	0	111.6	E63 I67 A77 W87 I108 F110 P119 K155 V156 L157	E63-I153 PolarHBondContact OE2-N 3.1Å; I67-I153 HydrophobicContact CD1-CG2 4.09Å; A77-I153 HydrophobicContact CB-CG2 4.38Å; W87-I153 HydrophobicContact CE3-CG2 4.5Å; W87-I153 HydrophobicContact CZ3-CG2 4.27Å; I108-I153 HydrophobicContact CD1-CG2 3.98Å; I108-I153 HydrophobicContact CG2-CD1 3.95Å; F110-I153 HydrophobicContact CE1-CD1 3.56Å; F110-I153 HydrophobicContact CE1-CG1 3.65Å; F110-I153 HydrophobicContact CZ-CD1 3.73Å; F110-I153 HydrophobicContact CZ-CG1 3.55Å; P119-I153 HydrophobicContact CB-CD1 4.1Å; P119-I153 HydrophobicContact CG-CD1 3.73Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 2.88Å; I153-V156 PolarHBondContact O-N 3.4Å; I153-V156 VanDerWaalsContact O-N 3.16Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CG 4.1Å; I153-L157 WeakPolarHBondContact O-CG 3.35Å; I153-L157 PolarHBondContact O-N 3.09Å
154	S	97.9	Very high	97.3	Very high	25 Å²	25	46.5 Å²	46.5	18%	0.175	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-43.2	177.3	-51.7	0	0	0	0	112	T152 L157 L158	T152-S154 PolarHBondContact O-N 2.87Å; S154-L157 PolarHBondContact O-N 3.33Å; S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.27Å; S154-L158 PolarHBondContact O-N 3.4Å
155	K	97.7	Very high	97.5	Very high	104 Å²	104	44.8 Å²	44.8	45%	0.452	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-40.6	176.1	-68.6	178.5	-178.2	174.5	0	112.1	A150 L151 T152 I153 L158 S159	A150-K155 PolarHBondContact O-NZ 2.92Å; L151-K155 HydrophobicContact CD2-CB 4.34Å; L151-K155 HydrophobicContact CD2-CD 4.02Å; T152-K155 PolarHBondContact O-N 3.43Å; T152-K155 VanDerWaalsContact O-N 3.12Å; T152-K155 PolarHBondContact OG1-N 3.44Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 2.88Å; K155-L158 PolarHBondContact O-N 3.15Å; K155-S159 PolarHBondContact O-N 2.88Å; K155-S159 PolarHBondContact O-OG 2.86Å
156	V	98.4	Very high	97.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-45.9	175.9	170.8	0	0	0	0	111	V121 I142 L143 W147 T152 I153 S159 I160	V121-V156 HydrophobicContact CG2-CG1 4.15Å; I142-V156 HydrophobicContact CD1-CG2 4.11Å; L143-V156 HydrophobicContact CD2-CG1 3.85Å; L143-V156 HydrophobicContact CD2-CG2 4.34Å; W147-V156 HydrophobicContact CZ3-CG2 3.97Å; T152-V156 WeakPolarHBondContact O-CG2 3.46Å; T152-V156 PolarHBondContact O-N 3.26Å; I153-V156 PolarHBondContact O-N 3.4Å; I153-V156 VanDerWaalsContact O-N 3.16Å; V156-S159 PolarHBondContact O-N 2.97Å; V156-I160 HydrophobicContact CG1-CD1 4.01Å; V156-I160 WeakPolarHBondContact O-CG1 3.43Å; V156-I160 PolarHBondContact O-N 2.82Å
157	L	98.4	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-41.2	178.4	-67.1	174.5	0	0	0	111.9	I67 P72 C75 A77 S89 I91 I108 I153 S154 S159 I160 C161	I67-L157 HydrophobicContact CD1-CD1 3.98Å; P72-L157 HydrophobicContact CG-CB 4.33Å; P72-L157 HydrophobicContact CG-CD1 4.32Å; C75-L157 HydrophobicContact CB-CB 4.43Å; C75-L157 HydrophobicContact CB-CD1 4.29Å; A77-L157 HydrophobicContact CB-CD1 3.99Å; S89-L157 VanDerWaalsContact OG-CD2 3.27Å; S89-L157 WeakPolarHBondContact OG-CD2 3.37Å; I91-L157 HydrophobicContact CD1-CD2 4.07Å; I91-L157 HydrophobicContact CG1-CD2 4.4Å; I108-L157 HydrophobicContact CD1-CD2 4.37Å; I153-L157 HydrophobicContact CG2-CD1 3.84Å; I153-L157 HydrophobicContact CG2-CG 4.1Å; I153-L157 WeakPolarHBondContact O-CG 3.35Å; I153-L157 PolarHBondContact O-N 3.09Å; S154-L157 PolarHBondContact O-N 3.33Å; L157-S159 VanDerWaalsContact C-N 3.35Å; L157-S159 PolarHBondContact O-N 3.02Å; L157-I160 PolarHBondContact O-N 3.02Å; L157-C161 PolarHBondContact O-N 2.87Å; L157-C161 PolarHBondContact O-SG 3.23Å; L157-C161 VanDerWaalsContact O-SG 3.42Å
158	L	97.2	Very high	97.5	Very high	81 Å²	81	41 Å²	41	42%	0.424	25%	0.246	S	C	.	.	H	α-helix	trans	-60.2	-43	173.3	-72.7	172.8	0	0	0	112.3	P72 S154 K155 I160 C161 S162	P72-L158 HydrophobicContact CB-CD1 4.43Å; P72-L158 HydrophobicContact CB-CD2 3.76Å; P72-L158 HydrophobicContact CB-CG 3.84Å; S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.27Å; S154-L158 PolarHBondContact O-N 3.4Å; K155-L158 PolarHBondContact O-N 3.15Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.41Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 2.9Å; L158-S162 PolarHBondContact O-N 2.85Å
159	S	97.6	Very high	97.4	Very high	41 Å²	41	40 Å²	40	29%	0.287	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-37.2	175.3	-64.1	0	0	0	0	112.3	I142 K155 V156 L157 S162 L163	I142-S159 WeakPolarHBondContact CD1-OG 3.3Å; K155-S159 PolarHBondContact O-N 2.88Å; K155-S159 PolarHBondContact O-OG 2.86Å; V156-S159 PolarHBondContact O-N 2.97Å; L157-S159 VanDerWaalsContact C-N 3.35Å; L157-S159 PolarHBondContact O-N 3.02Å; S159-S162 PolarHBondContact O-N 3.3Å; S159-L163 PolarHBondContact O-N 3.02Å
160	I	98.2	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-43.8	173.5	-66.8	166.1	0	0	0	110.5	I91 L106 V121 F123 I138 L140 V156 L157 L158 S162 L163 L164	I91-I160 HydrophobicContact CD1-CB 4.13Å; I91-I160 HydrophobicContact CD1-CG2 3.62Å; L106-I160 HydrophobicContact CD2-CD1 3.99Å; L106-I160 HydrophobicContact CD2-CG2 4.39Å; V121-I160 HydrophobicContact CG1-CD1 3.83Å; F123-I160 HydrophobicContact CE2-CG2 3.87Å; F123-I160 HydrophobicContact CZ-CG2 3.81Å; I138-I160 HydrophobicContact CD1-CD1 3.82Å; I138-I160 HydrophobicContact CD1-CG1 4.26Å; L140-I160 HydrophobicContact CD2-CG1 3.92Å; V156-I160 HydrophobicContact CG1-CD1 4.01Å; V156-I160 WeakPolarHBondContact O-CG1 3.43Å; V156-I160 PolarHBondContact O-N 2.82Å; L157-I160 PolarHBondContact O-N 3.02Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.41Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 2.82Å; I160-L163 WeakPolarHBondContact O-CB 3.45Å; I160-L163 PolarHBondContact O-N 3.32Å; I160-L163 VanDerWaalsContact O-N 3.13Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 3.21Å
161	C	97.5	Very high	97.1	Very high	17 Å²	17	42.8 Å²	42.8	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-42.3	174.1	-72	0	0	0	0	112.1	C75 I91 L157 L158 L163 L164 T165	C75-C161 PolarHBondContact SG-SG 3Å; I91-C161 VanDerWaalsContact CG2-SG 3.59Å; L157-C161 PolarHBondContact O-N 2.87Å; L157-C161 PolarHBondContact O-SG 3.23Å; L157-C161 VanDerWaalsContact O-SG 3.42Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 2.9Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.45Å; C161-L164 PolarHBondContact O-N 3.44Å; C161-T165 PolarHBondContact O-N 2.84Å; C161-T165 PolarHBondContact O-OG1 2.73Å
162	S	97	Very high	97	Very high	71 Å²	71	43.4 Å²	43.4	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-41.7	174.4	-168.9	0	0	0	0	111.8	L158 S159 I160 L164 T165 D166	L158-S162 PolarHBondContact O-N 2.85Å; S159-S162 PolarHBondContact O-N 3.3Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 2.82Å; S162-L164 VanDerWaalsContact C-N 3.3Å; S162-L164 PolarHBondContact O-N 3.38Å; S162-T165 PolarHBondContact O-N 3.21Å; S162-T165 VanDerWaalsContact O-N 3.15Å; S162-D166 PolarHBondContact O-N 3.12Å
163	L	97.4	Very high	97	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-37.4	177.3	-173.5	68	0	0	0	111.9	H129 N131 I138 S159 I160 C161 T165 D166 C167	H129-L163 PolarHBondContact NE2-O 3.07Å; N131-L163 HydrophobicContact CB-CD1 4.32Å; N131-L163 HydrophobicContact CB-CD2 4.1Å; I138-L163 HydrophobicContact CG2-CD2 3.84Å; S159-L163 PolarHBondContact O-N 3.02Å; I160-L163 WeakPolarHBondContact O-CB 3.45Å; I160-L163 PolarHBondContact O-N 3.32Å; I160-L163 VanDerWaalsContact O-N 3.13Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.45Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 2.86Å; L163-D166 CarbonylContact O-C 3.52Å; L163-D166 VanDerWaalsContact O-C 3.23Å; L163-D166 PolarHBondContact O-N 3Å; L163-C167 PolarHBondContact O-N 3.24Å
164	L	98.1	Very high	97	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-31.3	175.2	-66.6	-175.6	0	0	0	112.5	I91 P94 Y99 F123 I127 I132 I160 C161 S162	I91-L164 HydrophobicContact CG2-CD1 4.14Å; P94-L164 HydrophobicContact CG-CB 4.03Å; Y99-L164 HydrophobicContact CD2-CB 3.87Å; Y99-L164 HydrophobicContact CD2-CD2 4.23Å; Y99-L164 VanDerWaalsContact CD2-O 3.3Å; Y99-L164 WeakPolarHBondContact CD2-O 3.44Å; Y99-L164 HydrophobicContact CE2-CB 4.16Å; Y99-L164 HydrophobicContact CE2-CD2 4.13Å; Y99-L164 WeakPolarHBondContact CE2-O 3.25Å; F123-L164 HydrophobicContact CZ-CD1 4.4Å; F123-L164 HydrophobicContact CZ-CD2 4.21Å; I127-L164 HydrophobicContact CD1-CD2 3.5Å; I127-L164 VanDerWaalsContact CD1-CD2 3.5Å; I132-L164 HydrophobicContact CD1-CD2 4.02Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 3.21Å; C161-L164 PolarHBondContact O-N 3.44Å; S162-L164 VanDerWaalsContact C-N 3.3Å; S162-L164 PolarHBondContact O-N 3.38Å
165	T	96.8	Very high	96.9	Very high	68 Å²	68	47.5 Å²	47.5	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-75.7	-46	173.4	-54.9	0	0	0	0	110.8	C161 S162 L163	C161-T165 PolarHBondContact O-N 2.84Å; C161-T165 PolarHBondContact O-OG1 2.73Å; S162-T165 PolarHBondContact O-N 3.21Å; S162-T165 VanDerWaalsContact O-N 3.15Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 2.86Å
166	D	96	Very high	97	Very high	107 Å²	107	46.8 Å²	46.8	57%	0.572	30%	0.298	S	S	*	.	S	Bend	trans	-128.2	88.5	-172	-60.7	-66.1	0	0	0	110.7	S162 L163	S162-D166 PolarHBondContact O-N 3.12Å; L163-D166 CarbonylContact O-C 3.52Å; L163-D166 VanDerWaalsContact O-C 3.23Å; L163-D166 PolarHBondContact O-N 3Å
167	C	96.3	Very high	97	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.135	30%	0.301	C	S	.	.			trans	-68.6	157	178.1	76.7	0	0	0	0	112	H129 C130 L163 P169 Y181	H129-C167 VanDerWaalsContact CE1-CB 3.47Å; H129-C167 WeakPolarHBondContact CE1-CB 3.48Å; H129-C167 WeakPolarHBondContact NE2-CB 3.4Å; C130-C167 VanDerWaalsContact SG-SG 3.66Å; L163-C167 PolarHBondContact O-N 3.24Å; C167-P169 WeakPolarHBondContact O-CD 3.46Å; C167-Y181 WeakPolarHBondContact SG-CE2 3.43Å
168	N	95.5	Very high	97	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	30%	0.301	S	S	.	.			trans	-106.2	89.4	176.1	-178.2	4.1	0	0	0	110.9	N131 A170 D171	N131-N168 PolarHBondContact ND2-O 3.25Å; N131-N168 PolarHBondContact OD1-N 2.57Å; N168-A170 PolarHBondContact O-N 2.83Å; N168-A170 WeakPolarHBondContact OD1-CB 3.49Å; N168-A170 PolarHBondContact OD1-N 3.02Å; N168-A170 VanDerWaalsContact OD1-N 3.12Å; N168-D171 PolarHBondContact O-N 3.27Å
169	P	95.8	Very high	97	Very high	30 Å²	30	47.2 Å²	47.2	20%	0.195	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.5	179.9	30.9	-37.7	0	0	0	114	C167 P172 A178 Y181 M182	C167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-P172 WeakPolarHBondContact O-CD 3.41Å; P169-A178 HydrophobicContact CB-CB 4.25Å; P169-Y181 HydrophobicContact CB-CD1 3.92Å; P169-Y181 HydrophobicContact CB-CE1 4.5Å; P169-Y181 HydrophobicContact CG-CD1 3.83Å; P169-Y181 HydrophobicContact CG-CE1 3.94Å; P169-M182 HydrophobicContact CB-CE 4.37Å; P169-M182 HydrophobicContact CB-CG 3.87Å; P169-M182 HydrophobicContact CB-SD 4.02Å; P169-M182 HydrophobicContact CG-CG 4.18Å; P169-M182 HydrophobicContact CG-SD 4.38Å
170	A	95.1	Very high	97.1	Very high	92 Å²	92	47.2 Å²	47.2	76%	0.76	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-22.4	178	0	0	0	0	0	113.2	N168 P172	N168-A170 PolarHBondContact O-N 2.83Å; N168-A170 WeakPolarHBondContact OD1-CB 3.49Å; N168-A170 PolarHBondContact OD1-N 3.02Å; N168-A170 VanDerWaalsContact OD1-N 3.12Å; A170-P172 VanDerWaalsContact C-CD 3.49Å
171	D	93.9	Very high	97.1	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	31%	0.307	S	S	.	.	S	Bend	trans	-128.1	67.6	173.3	-176.4	31.7	0	0	0	111.8	N131 C139 N168	N131-D171 PolarHBondContact ND2-O 3.43Å; C139-D171 PolarHBondContact SG-OD2 3.49Å; N168-D171 PolarHBondContact O-N 3.27Å
172	P	96.3	Very high	97.1	Very high	43 Å²	43	54.2 Å²	54.2	28%	0.279	33%	0.329	S	S	.	.			trans	-86.8	145.2	-174.2	36	-34.8	0	0	0	112.5	C130 P169 A170 A178	C130-P172 HydrophobicContact CB-CB 4.15Å; P169-P172 WeakPolarHBondContact O-CD 3.41Å; A170-P172 VanDerWaalsContact C-CD 3.49Å; P172-A178 HydrophobicContact CB-CB 3.48Å; P172-A178 VanDerWaalsContact CB-CB 3.48Å; P172-A178 HydrophobicContact CG-CB 3.7Å
173	L	97.4	Very high	97.2	Very high	64 Å²	64	56 Å²	56	34%	0.335	34%	0.338	S	S	.	.	S	Bend	trans	-80.7	-25.5	162.2	-65.2	-178.1	0	0	0	112.2	C130 N131 N133 V137 C139	C130-L173 PolarHBondContact O-N 3.18Å; N131-L173 WeakPolarHBondContact O-CD1 3.46Å; N133-L173 HydrophobicContact CB-CB 4.12Å; N133-L173 HydrophobicContact CB-CD1 4.33Å; V137-L173 HydrophobicContact CB-CD1 4.4Å; V137-L173 HydrophobicContact CG1-CD1 4.22Å; V137-L173 WeakPolarHBondContact O-CD1 3.46Å; C139-L173 HydrophobicContact CB-CD1 3.94Å; C139-L173 HydrophobicContact CB-CD2 3.94Å; C139-L173 HydrophobicContact CB-CG 3.67Å
174	V	97.8	Very high	97.2	Very high	33 Å²	33	59 Å²	59	20%	0.2	35%	0.354	C	S	.	.	S	Bend	trans	-122.7	90.7	-179.3	-166.5	0	0	0	0	109.1	C130 N133 S176 I177 A178	C130-V174 PolarHBondContact O-N 2.94Å; N133-V174 HydrophobicContact CB-CG2 4.13Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.15Å; V174-I177 HydrophobicContact CB-CB 4.3Å; V174-I177 HydrophobicContact CB-CD1 3.99Å; V174-I177 HydrophobicContact CB-CG1 4.11Å; V174-I177 HydrophobicContact CG1-CB 4.25Å; V174-I177 HydrophobicContact CG1-CD1 3.73Å; V174-I177 HydrophobicContact CG1-CG1 3.64Å; V174-I177 HydrophobicContact CG2-CD1 4.41Å; V174-I177 PolarHBondContact O-N 3.49Å; V174-I177 VanDerWaalsContact O-N 3.15Å; V174-A178 PolarHBondContact O-N 3.13Å; V174-A178 VanDerWaalsContact O-N 3.15Å
175	G	97.7	Very high	97.2	Very high	40 Å²	40	64.2 Å²	64.2	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-56.2	-38.3	-175	0	0	0	0	0	113.8	I177 A178 T179	G175-I177 PolarHBondContact O-N 2.89Å; G175-A178 WeakPolarHBondContact O-CB 3.4Å; G175-A178 PolarHBondContact O-N 3.37Å; G175-T179 PolarHBondContact O-N 2.67Å; G175-T179 PolarHBondContact O-OG1 2.84Å; G175-T179 VanDerWaalsContact O-OG1 3.07Å
176	S	98	Very high	97.3	Very high	90 Å²	90	64.4 Å²	64.4	63%	0.629	38%	0.381	S	S	*	.	H	α-helix	trans	-63	-40.1	178.4	54.1	0	0	0	0	113.3	V174 Q180	V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.15Å; S176-Q180 WeakPolarHBondContact O-CB 3.49Å; S176-Q180 PolarHBondContact O-N 3.19Å
177	I	98.6	Very high	97.4	Very high	13 Å²	13	62 Å²	62	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-67.3	-41.4	175.7	-59.4	-179.1	0	0	0	109.7	Y128 C130 V174 G175 Q180 Y181	Y128-I177 HydrophobicContact CD1-CG2 4.12Å; Y128-I177 HydrophobicContact CD2-CD1 3.78Å; Y128-I177 HydrophobicContact CD2-CG1 4.29Å; Y128-I177 HydrophobicContact CE1-CD1 4.48Å; Y128-I177 HydrophobicContact CE1-CG1 4.25Å; Y128-I177 HydrophobicContact CE1-CG2 3.75Å; Y128-I177 HydrophobicContact CE2-CD1 3.71Å; Y128-I177 HydrophobicContact CE2-CG1 3.71Å; Y128-I177 HydrophobicContact CG-CD1 4.18Å; C130-I177 HydrophobicContact CB-CB 4.11Å; C130-I177 HydrophobicContact CB-CG2 3.91Å; V174-I177 HydrophobicContact CB-CB 4.3Å; V174-I177 HydrophobicContact CB-CD1 3.99Å; V174-I177 HydrophobicContact CB-CG1 4.11Å; V174-I177 HydrophobicContact CG1-CB 4.25Å; V174-I177 HydrophobicContact CG1-CD1 3.73Å; V174-I177 HydrophobicContact CG1-CG1 3.64Å; V174-I177 HydrophobicContact CG2-CD1 4.41Å; V174-I177 PolarHBondContact O-N 3.49Å; V174-I177 VanDerWaalsContact O-N 3.15Å; G175-I177 PolarHBondContact O-N 2.89Å; I177-Q180 PolarHBondContact O-N 2.92Å; I177-Y181 WeakPolarHBondContact O-CB 3.47Å; I177-Y181 PolarHBondContact O-N 3.43Å
178	A	98.4	Very high	97.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-46	177	0	0	0	0	0	112.4	C130 P169 P172 V174 G175 Q180 Y181 M182	C130-A178 HydrophobicContact CB-CB 3.85Å; P169-A178 HydrophobicContact CB-CB 4.25Å; P172-A178 HydrophobicContact CB-CB 3.48Å; P172-A178 VanDerWaalsContact CB-CB 3.48Å; P172-A178 HydrophobicContact CG-CB 3.7Å; V174-A178 PolarHBondContact O-N 3.13Å; V174-A178 VanDerWaalsContact O-N 3.15Å; G175-A178 WeakPolarHBondContact O-CB 3.4Å; G175-A178 PolarHBondContact O-N 3.37Å; A178-Q180 VanDerWaalsContact C-N 3.33Å; A178-Q180 PolarHBondContact O-N 3.12Å; A178-Y181 WeakPolarHBondContact O-CB 3.35Å; A178-Y181 PolarHBondContact O-N 3.47Å; A178-M182 HydrophobicContact CB-CE 4.45Å; A178-M182 WeakPolarHBondContact O-CE 3.5Å; A178-M182 WeakPolarHBondContact O-CG 3.48Å; A178-M182 PolarHBondContact O-N 3.48Å
179	T	98.3	Very high	97.7	Very high	77 Å²	77	58.8 Å²	58.8	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-44.8	175.1	-57.9	0	0	0	0	110.9	G175 M182 T183	G175-T179 PolarHBondContact O-N 2.67Å; G175-T179 PolarHBondContact O-OG1 2.84Å; G175-T179 VanDerWaalsContact O-OG1 3.07Å; T179-M182 PolarHBondContact O-N 3.45Å; T179-T183 HydrophobicContact CG2-CG2 4.23Å; T179-T183 WeakPolarHBondContact O-CB 3.09Å; T179-T183 WeakPolarHBondContact O-CG2 3.41Å; T179-T183 PolarHBondContact O-N 3.4Å; T179-T183 PolarHBondContact O-OG1 3.35Å
180	Q	98.4	Very high	97.8	Very high	41 Å²	41	62.5 Å²	62.5	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-40.7	176.5	-167.7	-174.6	56.5	0	0	112	Y128 S176 I177 A178 M182 T183 N184 H188	Y128-Q180 PolarHBondContact OH-OE1 3.19Å; S176-Q180 WeakPolarHBondContact O-CB 3.49Å; S176-Q180 PolarHBondContact O-N 3.19Å; I177-Q180 PolarHBondContact O-N 2.92Å; A178-Q180 VanDerWaalsContact C-N 3.33Å; A178-Q180 PolarHBondContact O-N 3.12Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 2.98Å; Q180-T183 PolarHBondContact O-N 2.91Å; Q180-N184 CarbonylContact O-C 3.05Å; Q180-N184 WeakPolarHBondContact O-CA 3.3Å; Q180-N184 PolarHBondContact O-N 3.27Å; Q180-H188 HydrophobicContact CG-CB 4.12Å
181	Y	98.5	Very high	98	Very high	46 Å²	46	60 Å²	60	18%	0.18	33%	0.332	C	S	.	.	H	α-helix	trans	-56.7	-43.4	174.7	-178.7	-94.4	0	0	0	111.7	C167 P169 I177 A178 R185 H188	C167-Y181 WeakPolarHBondContact SG-CE2 3.43Å; P169-Y181 HydrophobicContact CB-CD1 3.92Å; P169-Y181 HydrophobicContact CB-CE1 4.5Å; P169-Y181 HydrophobicContact CG-CD1 3.83Å; P169-Y181 HydrophobicContact CG-CE1 3.94Å; I177-Y181 WeakPolarHBondContact O-CB 3.47Å; I177-Y181 PolarHBondContact O-N 3.43Å; A178-Y181 WeakPolarHBondContact O-CB 3.35Å; A178-Y181 PolarHBondContact O-N 3.47Å; Y181-R185 VanDerWaalsContact CE2-CZ 3.5Å; Y181-R185 PolarHBondContact OH-NH1 3.28Å; Y181-H188 AromaticContact CD2-CE1 3.61Å; Y181-H188 AromaticContact CD2-CG 3.97Å; Y181-H188 AromaticContact CD2-ND1 3.7Å; Y181-H188 AromaticContact CD2-NE2 3.78Å
182	M	97.9	Very high	98.2	Very high	117 Å²	117	55.8 Å²	55.8	58%	0.576	31%	0.309	S	S	*	.	H	α-helix	trans	-77.8	-33.8	-178.5	-67.7	-174	-74.2	0	0	114	P169 A178 T179 Q180	P169-M182 HydrophobicContact CB-CE 4.37Å; P169-M182 HydrophobicContact CB-CG 3.87Å; P169-M182 HydrophobicContact CB-SD 4.02Å; P169-M182 HydrophobicContact CG-CG 4.18Å; P169-M182 HydrophobicContact CG-SD 4.38Å; A178-M182 HydrophobicContact CB-CE 4.45Å; A178-M182 WeakPolarHBondContact O-CE 3.5Å; A178-M182 WeakPolarHBondContact O-CG 3.48Å; A178-M182 PolarHBondContact O-N 3.48Å; T179-M182 PolarHBondContact O-N 3.45Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 2.98Å
183	T	98.2	Very high	98.3	Very high	110 Å²	110	59.9 Å²	59.9	68%	0.675	32%	0.319	S	S	*	.	H	α-helix	trans	-104	-23.9	-171.5	59.5	0	0	0	0	114.5	T179 Q180	T179-T183 HydrophobicContact CG2-CG2 4.23Å; T179-T183 WeakPolarHBondContact O-CB 3.09Å; T179-T183 WeakPolarHBondContact O-CG2 3.41Å; T179-T183 PolarHBondContact O-N 3.4Å; T179-T183 PolarHBondContact O-OG1 3.35Å; Q180-T183 PolarHBondContact O-N 2.91Å
184	N	98	Very high	98.4	Very high	79 Å²	79	61.3 Å²	61.3	42%	0.422	32%	0.324	S	S	.	.			trans	-151.3	69.6	179.4	-169.9	-11.2	0	0	0	110.7	Q180 A186 E187 H188	Q180-N184 CarbonylContact O-C 3.05Å; Q180-N184 WeakPolarHBondContact O-CA 3.3Å; Q180-N184 PolarHBondContact O-N 3.27Å; N184-A186 PolarHBondContact O-N 3.37Å; N184-E187 HydrophobicContact CB-CB 4.39Å; N184-E187 WeakPolarHBondContact ND2-CB 3.48Å; N184-E187 PolarHBondContact O-N 3.24Å; N184-E187 WeakPolarHBondContact OD1-CB 3.49Å; N184-E187 PolarHBondContact OD1-N 3.02Å; N184-H188 PolarHBondContact O-N 3Å
185	R	98.3	Very high	98.4	Very high	114 Å²	114	63.3 Å²	63.3	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-55.5	-36.2	-178.9	179.7	60.1	-171.9	-88.6	-3.2	113.2	Y181 H188 D189	Y181-R185 VanDerWaalsContact CE2-CZ 3.5Å; Y181-R185 PolarHBondContact OH-NH1 3.28Å; R185-H188 WeakPolarHBondContact O-CB 3.45Å; R185-H188 PolarHBondContact O-N 3.34Å; R185-D189 WeakPolarHBondContact CD-OD1 3.33Å; R185-D189 IonicContact CZ-OD1 3.69Å; R185-D189 IonicContact CZ-OD2 3.63Å; R185-D189 IonicContact NE-OD1 2.76Å; R185-D189 PolarHBondContact NE-OD1 3.37Å; R185-D189 IonicContact NE-OD2 3.03Å; R185-D189 PolarHBondContact NE-OD2 3.18Å; R185-D189 IonicContact NH2-OD1 3.76Å; R185-D189 IonicContact NH2-OD2 3.44Å; R185-D189 PolarHBondContact NH2-OD2 3.02Å; R185-D189 WeakPolarHBondContact O-CB 3.46Å; R185-D189 VanDerWaalsContact O-CG 3.28Å; R185-D189 PolarHBondContact O-N 3.29Å
186	A	98.5	Very high	98.5	Very high	72 Å²	72	61.7 Å²	61.7	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-63.3	-45.1	179.9	0	0	0	0	0	112.1	N184 D189 R190	N184-A186 PolarHBondContact O-N 3.37Å; A186-D189 PolarHBondContact O-N 2.96Å; A186-R190 PolarHBondContact O-N 3.08Å
187	E	98.6	Very high	98.5	Very high	57 Å²	57	65.1 Å²	65.1	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-70.9	-39.3	176.9	177.7	58.5	-169.8	0	0	111.9	N184 D189 R190 M191	N184-E187 HydrophobicContact CB-CB 4.39Å; N184-E187 WeakPolarHBondContact ND2-CB 3.48Å; N184-E187 PolarHBondContact O-N 3.24Å; N184-E187 WeakPolarHBondContact OD1-CB 3.49Å; N184-E187 PolarHBondContact OD1-N 3.02Å; E187-D189 VanDerWaalsContact C-N 3.3Å; E187-D189 PolarHBondContact O-N 3.09Å; E187-R190 PolarHBondContact O-N 3.11Å; E187-R190 IonicContact OE1-CZ 3.47Å; E187-R190 IonicContact OE1-NE 3.48Å; E187-R190 PolarHBondContact OE1-NE 3.18Å; E187-R190 IonicContact OE1-NH2 2.67Å; E187-R190 PolarHBondContact OE1-NH2 2.98Å; E187-R190 IonicContact OE2-CZ 3.56Å; E187-R190 IonicContact OE2-NE 2.76Å; E187-R190 PolarHBondContact OE2-NE 3.45Å; E187-R190 IonicContact OE2-NH2 3.52Å; E187-M191 WeakPolarHBondContact O-CB 3.36Å; E187-M191 WeakPolarHBondContact O-CG 3.39Å; E187-M191 PolarHBondContact O-N 3.37Å
188	H	98.7	Very high	98.5	Very high	4 Å²	4	72.6 Å²	72.6	2%	0.019	34%	0.341	C	S	.	.	H	α-helix	trans	-52.2	-50.9	170.9	168.9	-80.3	0	0	0	111	Y128 Q180 Y181 N184 R185 R190 M191 A192	Y128-H188 AromaticContact CE1-CD2 3.76Å; Q180-H188 HydrophobicContact CG-CB 4.12Å; Y181-H188 AromaticContact CD2-CE1 3.61Å; Y181-H188 AromaticContact CD2-CG 3.97Å; Y181-H188 AromaticContact CD2-ND1 3.7Å; Y181-H188 AromaticContact CD2-NE2 3.78Å; N184-H188 PolarHBondContact O-N 3Å; R185-H188 WeakPolarHBondContact O-CB 3.45Å; R185-H188 PolarHBondContact O-N 3.34Å; H188-R190 VanDerWaalsContact C-N 3.35Å; H188-R190 PolarHBondContact O-N 2.66Å; H188-M191 WeakPolarHBondContact O-CB 3.36Å; H188-M191 PolarHBondContact O-N 2.9Å; H188-A192 WeakPolarHBondContact O-CB 3.38Å; H188-A192 PolarHBondContact O-N 3.42Å
189	D	98.7	Very high	98.5	Very high	22 Å²	22	75.9 Å²	75.9	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-69.1	-34.5	-176.3	-73.7	5.1	0	0	0	112.3	V98 R185 A186 E187 R193	V98-D189 HydrophobicContact CG1-CB 3.62Å; V98-D189 VanDerWaalsContact CG1-CG 3.48Å; R185-D189 WeakPolarHBondContact CD-OD1 3.33Å; R185-D189 IonicContact CZ-OD1 3.69Å; R185-D189 IonicContact CZ-OD2 3.63Å; R185-D189 IonicContact NE-OD1 2.76Å; R185-D189 PolarHBondContact NE-OD1 3.37Å; R185-D189 IonicContact NE-OD2 3.03Å; R185-D189 PolarHBondContact NE-OD2 3.18Å; R185-D189 IonicContact NH2-OD1 3.76Å; R185-D189 IonicContact NH2-OD2 3.44Å; R185-D189 PolarHBondContact NH2-OD2 3.02Å; R185-D189 WeakPolarHBondContact O-CB 3.46Å; R185-D189 VanDerWaalsContact O-CG 3.28Å; R185-D189 PolarHBondContact O-N 3.29Å; A186-D189 PolarHBondContact O-N 2.96Å; E187-D189 VanDerWaalsContact C-N 3.3Å; E187-D189 PolarHBondContact O-N 3.09Å; D189-R193 WeakPolarHBondContact O-CB 3.16Å; D189-R193 WeakPolarHBondContact O-CG 3.45Å; D189-R193 PolarHBondContact O-N 3.23Å; D189-R193 PolarHBondContact O-NE 2.81Å
190	R	98.7	Very high	98.5	Very high	108 Å²	108	72.5 Å²	72.5	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-46.2	171.5	-167.5	-165.1	67.1	67.7	0.2	110.8	A186 E187 H188 Q194	A186-R190 PolarHBondContact O-N 3.08Å; E187-R190 PolarHBondContact O-N 3.11Å; E187-R190 IonicContact OE1-CZ 3.47Å; E187-R190 IonicContact OE1-NE 3.48Å; E187-R190 PolarHBondContact OE1-NE 3.18Å; E187-R190 IonicContact OE1-NH2 2.67Å; E187-R190 PolarHBondContact OE1-NH2 2.98Å; E187-R190 IonicContact OE2-CZ 3.56Å; E187-R190 IonicContact OE2-NE 2.76Å; E187-R190 PolarHBondContact OE2-NE 3.45Å; E187-R190 IonicContact OE2-NH2 3.52Å; H188-R190 VanDerWaalsContact C-N 3.35Å; H188-R190 PolarHBondContact O-N 2.66Å; R190-Q194 WeakPolarHBondContact O-CB 3.46Å; R190-Q194 PolarHBondContact O-N 3.01Å
191	M	98.6	Very high	98.3	Very high	41 Å²	41	76.7 Å²	76.7	20%	0.202	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-44.6	178.4	-73.7	-64.4	-69.4	0	0	112.1	Y128 E187 H188 Q194 W195	Y128-M191 HydrophobicContact CD1-CB 4.13Å; Y128-M191 HydrophobicContact CE1-CB 3.85Å; E187-M191 WeakPolarHBondContact O-CB 3.36Å; E187-M191 WeakPolarHBondContact O-CG 3.39Å; E187-M191 PolarHBondContact O-N 3.37Å; H188-M191 WeakPolarHBondContact O-CB 3.36Å; H188-M191 PolarHBondContact O-N 2.9Å; M191-Q194 WeakPolarHBondContact O-CB 3.38Å; M191-Q194 PolarHBondContact O-N 3.41Å; M191-W195 VanDerWaalsContact O-CD1 3.28Å; M191-W195 PolarHBondContact O-N 2.93Å
192	A	98.8	Very high	98.3	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-49	177.5	0	0	0	0	0	111.8	V98 Y99 Y128 H188 Q194 W195 T196	V98-A192 HydrophobicContact CB-CB 3.7Å; V98-A192 HydrophobicContact CG1-CB 4.3Å; V98-A192 HydrophobicContact CG2-CB 3.58Å; Y99-A192 HydrophobicContact CE1-CB 4.24Å; Y128-A192 HydrophobicContact CD1-CB 4.11Å; H188-A192 WeakPolarHBondContact O-CB 3.38Å; H188-A192 PolarHBondContact O-N 3.42Å; A192-Q194 VanDerWaalsContact C-N 3.32Å; A192-Q194 PolarHBondContact O-N 2.76Å; A192-W195 PolarHBondContact O-N 3.29Å; A192-W195 VanDerWaalsContact O-N 3.15Å; A192-T196 PolarHBondContact O-N 3.44Å; A192-T196 PolarHBondContact O-OG1 3.2Å
193	R	98.7	Very high	98.3	Very high	129 Å²	129	76.2 Å²	76.2	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-39.6	174.4	-74.6	-175.8	-71.4	-94.9	-3.3	112.8	V98 D189 W195 T196 K197	V98-R193 HydrophobicContact CB-CG 4.09Å; V98-R193 HydrophobicContact CG1-CG 4.33Å; V98-R193 WeakPolarHBondContact O-CG 3.42Å; D189-R193 WeakPolarHBondContact O-CB 3.16Å; D189-R193 WeakPolarHBondContact O-CG 3.45Å; D189-R193 PolarHBondContact O-N 3.23Å; D189-R193 PolarHBondContact O-NE 2.81Å; R193-W195 VanDerWaalsContact C-N 3.35Å; R193-T196 PolarHBondContact O-N 3.03Å; R193-K197 PolarHBondContact O-N 2.92Å
194	Q	98.7	Very high	98.3	Very high	94 Å²	94	74.3 Å²	74.3	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.2	-176.3	177.6	10	0	0	111.8	R190 M191 A192 R198	R190-Q194 WeakPolarHBondContact O-CB 3.46Å; R190-Q194 PolarHBondContact O-N 3.01Å; M191-Q194 WeakPolarHBondContact O-CB 3.38Å; M191-Q194 PolarHBondContact O-N 3.41Å; A192-Q194 VanDerWaalsContact C-N 3.32Å; A192-Q194 PolarHBondContact O-N 2.76Å; Q194-R198 VanDerWaalsContact O-CB 3.27Å; Q194-R198 WeakPolarHBondContact O-CB 3.41Å; Q194-R198 PolarHBondContact O-N 2.66Å
195	W	98.7	Very high	98.3	Very high	74 Å²	74	74 Å²	74	28%	0.28	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-42.5	175.8	-86.7	54.7	0	0	0	112.2	R126 Y128 M191 A192 R193 K197 R198 Y199	R126-W195 HydrophobicContact CB-CE3 4.48Å; R126-W195 HydrophobicContact CB-CZ3 4.31Å; Y128-W195 HydrophobicContact CD2-CD2 4.1Å; Y128-W195 AromaticContact CD2-CE2 3.85Å; Y128-W195 HydrophobicContact CD2-CG 4.46Å; Y128-W195 HydrophobicContact CD2-CH2 4.5Å; Y128-W195 HydrophobicContact CD2-CZ2 4.08Å; Y128-W195 HydrophobicContact CG-CD2 4.38Å; Y128-W195 HydrophobicContact CG-CG 4.44Å; M191-W195 VanDerWaalsContact O-CD1 3.28Å; M191-W195 PolarHBondContact O-N 2.93Å; A192-W195 PolarHBondContact O-N 3.29Å; A192-W195 VanDerWaalsContact O-N 3.15Å; R193-W195 VanDerWaalsContact C-N 3.35Å; W195-K197 VanDerWaalsContact C-N 3.34Å; W195-K197 PolarHBondContact O-N 3.4Å; W195-R198 PolarHBondContact O-N 3.02Å; W195-R198 VanDerWaalsContact O-N 3.1Å; W195-Y199 HydrophobicContact CB-CD2 4.14Å; W195-Y199 HydrophobicContact CB-CE2 4.49Å; W195-Y199 AromaticContact CD2-CD2 3.94Å; W195-Y199 HydrophobicContact CD2-CD2 3.94Å; W195-Y199 AromaticContact CD2-CE2 3.66Å; W195-Y199 HydrophobicContact CD2-CE2 3.66Å; W195-Y199 AromaticContact CE3-CD2 3.86Å; W195-Y199 HydrophobicContact CE3-CD2 3.86Å; W195-Y199 AromaticContact CE3-CE2 3.84Å; W195-Y199 HydrophobicContact CE3-CE2 3.84Å; W195-Y199 HydrophobicContact CG-CD2 4.08Å; W195-Y199 AromaticContact CG-CE2 3.97Å; W195-Y199 HydrophobicContact CG-CE2 3.97Å; W195-Y199 HydrophobicContact CZ3-CE2 4.4Å; W195-Y199 WeakPolarHBondContact O-CD2 3.47Å; W195-Y199 PolarHBondContact O-N 3.44Å
196	T	98.8	Very high	98.3	Very high	7 Å²	7	71.5 Å²	71.5	4%	0.043	33%	0.332	C	S	.	.	H	α-helix	trans	-52.6	-53.3	172.9	-57.7	0	0	0	0	110.2	V98 Y99 F104 A192 R193 R198 A200 T201	V98-T196 PolarHBondContact O-OG1 2.76Å; V98-T196 VanDerWaalsContact O-OG1 3.08Å; Y99-T196 WeakPolarHBondContact O-CG2 3.43Å; F104-T196 HydrophobicContact CZ-CG2 4.19Å; A192-T196 PolarHBondContact O-N 3.44Å; A192-T196 PolarHBondContact O-OG1 3.2Å; R193-T196 PolarHBondContact O-N 3.03Å; T196-R198 VanDerWaalsContact C-N 3.29Å; T196-R198 PolarHBondContact O-N 3.09Å; T196-A200 CarbonylContact O-C 3.23Å; T196-A200 WeakPolarHBondContact O-CA 3.42Å; T196-A200 WeakPolarHBondContact O-CB 3.39Å; T196-A200 PolarHBondContact O-N 3.41Å; T196-T201 PolarHBondContact O-N 2.73Å
197	K	98.6	Very high	98.3	Very high	161 Å²	161	71.5 Å²	71.5	70%	0.7	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-29.1	178.2	-175	172.8	-178.5	175.7	0	114	R193 W195 T201	R193-K197 PolarHBondContact O-N 2.92Å; W195-K197 VanDerWaalsContact C-N 3.34Å; W195-K197 PolarHBondContact O-N 3.4Å; K197-T201 WeakPolarHBondContact CA-OG1 3.41Å; K197-T201 PolarHBondContact O-OG1 3.39Å
198	R	98.6	Very high	98.3	Very high	171 Å²	171	72.5 Å²	72.5	65%	0.645	32%	0.318	S	S	*	.	H	α-helix	trans	-85.7	-33.4	-175.9	-175	173	180	176.2	1.3	113.1	Q194 W195 T196	Q194-R198 VanDerWaalsContact O-CB 3.27Å; Q194-R198 WeakPolarHBondContact O-CB 3.41Å; Q194-R198 PolarHBondContact O-N 2.66Å; W195-R198 PolarHBondContact O-N 3.02Å; W195-R198 VanDerWaalsContact O-N 3.1Å; T196-R198 VanDerWaalsContact C-N 3.29Å; T196-R198 PolarHBondContact O-N 3.09Å
199	Y	98.5	Very high	98.2	Very high	69 Å²	69	77.8 Å²	77.8	27%	0.271	34%	0.341	S	S	.	.	H	α-helix	trans	-122.3	-14.7	-167.7	-58.2	-60.8	0	0	0	114.1	T125 R126 W195	T125-Y199 VanDerWaalsContact CG2-O 3.27Å; T125-Y199 WeakPolarHBondContact CG2-O 3.45Å; R126-Y199 HydrophobicContact CB-CD2 4.14Å; R126-Y199 HydrophobicContact CB-CG 4.03Å; W195-Y199 HydrophobicContact CB-CD2 4.14Å; W195-Y199 HydrophobicContact CB-CE2 4.49Å; W195-Y199 AromaticContact CD2-CD2 3.94Å; W195-Y199 HydrophobicContact CD2-CD2 3.94Å; W195-Y199 AromaticContact CD2-CE2 3.66Å; W195-Y199 HydrophobicContact CD2-CE2 3.66Å; W195-Y199 AromaticContact CE3-CD2 3.86Å; W195-Y199 HydrophobicContact CE3-CD2 3.86Å; W195-Y199 AromaticContact CE3-CE2 3.84Å; W195-Y199 HydrophobicContact CE3-CE2 3.84Å; W195-Y199 HydrophobicContact CG-CD2 4.08Å; W195-Y199 AromaticContact CG-CE2 3.97Å; W195-Y199 HydrophobicContact CG-CE2 3.97Å; W195-Y199 HydrophobicContact CZ3-CE2 4.4Å; W195-Y199 WeakPolarHBondContact O-CD2 3.47Å; W195-Y199 PolarHBondContact O-N 3.44Å
200	A	98.2	Very high	98.2	Very high	7 Å²	7	82.4 Å²	82.4	6%	0.058	36%	0.36	C	S	.	.			trans	-124.3	5.5	-174.5	0	0	0	0	0	113.7	G102 V103 F104 T125 T196	G102-A200 CarbonylContact C-O 3.59Å; G102-A200 WeakPolarHBondContact CA-O 3.28Å; V103-A200 PolarHBondContact N-O 3.48Å; F104-A200 HydrophobicContact CD1-CB 4.04Å; F104-A200 HydrophobicContact CE1-CB 3.62Å; F104-A200 HydrophobicContact CE2-CB 4.3Å; F104-A200 HydrophobicContact CZ-CB 3.77Å; T125-A200 HydrophobicContact CG2-CB 3.84Å; T196-A200 CarbonylContact O-C 3.23Å; T196-A200 WeakPolarHBondContact O-CA 3.42Å; T196-A200 WeakPolarHBondContact O-CB 3.39Å; T196-A200 PolarHBondContact O-N 3.41Å
201	T	93.8	Very high	98.2	Very high	128 Å²	128	80.1 Å²	80.1	79%	0.785	36%	0.355	S	S	*	.			trans	-128.4	0	173.4	63.7	0	0	0	0	109.5	G101 T196 K197	G101-T201 WeakPolarHBondContact O-CG2 3.46Å; T196-T201 PolarHBondContact O-N 2.73Å; K197-T201 WeakPolarHBondContact CA-OG1 3.41Å; K197-T201 PolarHBondContact O-OG1 3.39Å

Retrieved 201 of 201 residues in 199.7 ms (Link to these results)

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