A0A087X9Q7_POEFO Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity of complex I.

AlphaFold DB , UniProt , Accession A0A087X9Q7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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	45	Very low	41.6	Very low	246 Å²	246	141.8 Å²	141.8	100%	1.212	83%	0.832	S	S	*	*				0	143.4	0	-79.6	-177.9	156.5	0	0	108.8
2	A	37.4	Very low	40.9	Very low	100 Å²	100	146 Å²	146	83%	0.826	83%	0.833	S	S	*	*			trans	-73.7	175.8	168.4	0	0	0	0	0	109.9
3	A	39.9	Very low	40.1	Very low	97 Å²	97	140 Å²	140	80%	0.802	82%	0.823	S	S	*	*			cis	-155	172	18.5	0	0	0	0	0	113.1
4	L	46.1	Very low	39.7	Very low	168 Å²	168	137.1 Å²	137.1	88%	0.88	81%	0.813	S	S	*	*			trans	-73.5	149.9	168	-53.1	105.4	0	0	0	111.9
5	V	40.4	Very low	39.1	Very low	151 Å²	151	141.4 Å²	141.4	92%	0.915	82%	0.818	S	S	*	*			trans	-148.7	129.6	140.8	-177.2	0	0	0	0	111.5
6	A	40.9	Very low	38.6	Very low	85 Å²	85	139.4 Å²	139.4	70%	0.702	82%	0.815	S	S	*	*			trans	-140.8	-174.6	149.1	0	0	0	0	0	105.8
7	P	61	Low	38.3	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	81%	0.805	S	S	*	*			cis	-126.3	-171.4	-33.4	38	-21.4	0	0	0	111.6
8	R	36.2	Very low	37.9	Very low	230 Å²	230	143.1 Å²	143.1	87%	0.868	81%	0.811	S	S	*	*			trans	-176.5	123.7	148.8	-102.5	167.7	178.4	-156.4	-1.8	109.2
9	L	35	Very low	38.1	Very low	153 Å²	153	140.9 Å²	140.9	80%	0.801	80%	0.803	S	S	*	*				58	129.7	83.4	-73.5	151.6	0	0	0	111.7	L11	L9-L11 HydrophobicContact CD2-CD1 4.43Å
10	A	38.4	Very low	37.9	Very low	89 Å²	89	141.9 Å²	141.9	74%	0.736	80%	0.804	S	S	*	*			cis	-172	173.1	44.5	0	0	0	0	0	109.2
11	L	37.3	Very low	37.7	Very low	122 Å²	122	140 Å²	140	64%	0.639	80%	0.8	S	S	*	*			cis	-163.6	-175.6	-10.4	-141.3	76.7	0	0	0	109.6	L9	L9-L11 HydrophobicContact CD2-CD1 4.43Å
12	F	33.4	Very low	37	Very low	192 Å²	192	133.9 Å²	133.9	84%	0.842	78%	0.776	S	S	*	*			trans	67.5	131.4	164	-63.5	-66.8	0	0	0	119.3
13	G	30.1	Very low	36.6	Very low	68 Å²	68	138.2 Å²	138.2	70%	0.701	78%	0.777	S	S	*	*			cis	-171.3	176.3	-6	0	0	0	0	0	107.8
14	S	34	Very low	36.5	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	77%	0.765	S	S	*	*			cis	170	126.4	-6.3	39.2	0	0	0	0	104.6
15	F	31	Very low	36	Very low	202 Å²	202	136 Å²	136	89%	0.886	76%	0.76	S	S	*	*			trans	46.3	142.7	148.8	-69.4	-95.5	0	0	0	120.3
16	S	31.9	Very low	35.9	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	76%	0.757	S	S	*	*			cis	-160.5	-175.2	36.5	-159.6	0	0	0	0	113.8
17	T	33.6	Very low	35.8	Very low	107 Å²	107	140.6 Å²	140.6	66%	0.656	76%	0.757	S	S	*	*			trans	-102.7	142.7	-161.4	52.7	0	0	0	0	116.6
18	R	30.3	Very low	34.6	Very low	238 Å²	238	142.9 Å²	142.9	90%	0.898	76%	0.755	S	S	*	*			trans	58	-177.1	139.5	-66.3	-176.4	171.1	-165.6	-2.4	116.9
19	P	41.8	Very low	34.3	Very low	103 Å²	103	137.3 Å²	137.3	67%	0.669	75%	0.749	S	S	*	*			cis	-131.7	172.9	-16.5	16.3	10	0	0	0	116
20	I	33.8	Very low	34.3	Very low	159 Å²	159	136.8 Å²	136.8	82%	0.815	75%	0.747	S	S	*	*			trans	48.3	120.2	134.8	-58.6	165.2	0	0	0	121.7
21	S	33.2	Very low	33.9	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	76%	0.756	S	S	*	*			trans	46.1	136.4	139.2	-162.9	0	0	0	0	122.3
22	V	32	Very low	33.5	Very low	117 Å²	117	141.3 Å²	141.3	71%	0.709	76%	0.761	S	S	*	*				178.9	120.7	127	142	0	0	0	0	111.3
23	F	28.8	Very low	33.4	Very low	191 Å²	191	138.1 Å²	138.1	84%	0.838	76%	0.762	S	S	*	*			trans	55.6	160.9	149.3	-71	-118.5	0	0	0	120
24	A	36.1	Very low	33.5	Very low	67 Å²	67	139.4 Å²	139.4	55%	0.554	77%	0.767	S	S	*	*			cis	-169.3	164.8	-28.2	0	0	0	0	0	109.3
25	I	37.1	Very low	33.2	Very low	152 Å²	152	143.5 Å²	143.5	78%	0.779	77%	0.772	S	S	*	*			trans	56.7	114.1	154.4	-60.2	149.9	0	0	0	118.6
26	Q	36.9	Very low	32.9	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	77%	0.766	S	S	*	*				-156.8	116.9	126.4	-162.4	76	-14.5	0	0	109.2
27	Q	39.2	Very low	32.5	Very low	148 Å²	148	138.1 Å²	138.1	69%	0.692	76%	0.761	S	S	*	*			trans	-108	141.4	174.6	-107.1	-166.7	3.4	0	0	110.6
28	K	36.7	Very low	32.2	Very low	168 Å²	168	140.3 Å²	140.3	73%	0.73	77%	0.769	S	S	*	*			trans	62.2	125.1	150.9	-62	165.6	-179.9	160	0	119.4
29	C	30.1	Very low	32	Very low	112 Å²	112	135 Å²	135	76%	0.757	76%	0.762	S	S	*	*				-167	110.4	115.5	-99.6	0	0	0	0	108.1
30	L	34.6	Very low	31.3	Very low	143 Å²	143	135.9 Å²	135.9	75%	0.749	77%	0.767	S	S	*	*				77.2	115	93.9	-77.8	177.5	0	0	0	114.2
31	H	30.6	Very low	31.2	Very low	200 Å²	200	133.8 Å²	133.8	93%	0.926	77%	0.766	S	S	*	*				-149.2	119.7	119.6	-103.4	81.8	0	0	0	109.8
32	S	28.8	Very low	31.1	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	77%	0.771	S	S	*	*			trans	-99.6	146.7	163.2	176.7	0	0	0	0	107
33	S	30.5	Very low	31.2	Very low	124 Å²	124	134.1 Å²	134.1	87%	0.867	77%	0.773	S	S	*	*			trans	-133.6	139.3	168.5	-162.5	0	0	0	0	111.7
34	A	31.7	Very low	32	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.776	S	S	*	*			trans	-75.6	167	-155.1	0	0	0	0	0	116.3
35	K	28.1	Very low	32.1	Very low	185 Å²	185	134 Å²	134	80%	0.804	78%	0.781	S	S	*	*			trans	-77.8	142.4	167.2	-179	-172.1	178.8	-166.8	0	110.6
36	G	24	Very low	32.3	Very low	73 Å²	73	132.5 Å²	132.5	75%	0.753	78%	0.781	S	S	*	*			trans	-151.1	142.5	169.5	0	0	0	0	0	111.3
37	D	25.6	Very low	32.8	Very low	124 Å²	124	129.6 Å²	129.6	66%	0.663	78%	0.775	S	S	*	*			trans	-103.3	154.5	-169.4	-66.5	-45.4	0	0	0	113.6
38	N	27.1	Very low	32.9	Very low	154 Å²	154	132 Å²	132	82%	0.824	78%	0.778	S	S	*	*			trans	64.4	120.9	158.5	-63.7	-18.4	0	0	0	118.6
39	T	25.5	Very low	33.2	Very low	125 Å²	125	132.7 Å²	132.7	77%	0.767	78%	0.784	S	S	*	*			cis	-174.5	168.9	41.7	-39	0	0	0	0	110.8
40	T	27.9	Very low	33.7	Very low	123 Å²	123	134.8 Å²	134.8	76%	0.755	78%	0.78	S	S	*	*			trans	76.2	62.3	164.4	63.4	0	0	0	0	121.1
41	S	30.1	Very low	34	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	78%	0.781	S	S	*	*				16.7	125.3	127.3	58.2	0	0	0	0	121.9
42	S	32.7	Very low	34.4	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	78%	0.777	S	S	*	*			trans	-163.1	71.4	131.7	49.4	0	0	0	0	114
43	S	32.9	Very low	34.7	Very low	107 Å²	107	128.4 Å²	128.4	75%	0.748	77%	0.769	S	S	*	*			trans	-121.8	121.6	157	59.4	0	0	0	0	109.3	V45	S43-V45 PolarHBondContact O-N 3.35Å; S43-V45 VanDerWaalsContact O-N 3.09Å
44	V	45.4	Very low	35.2	Very low	148 Å²	148	129 Å²	129	90%	0.897	77%	0.767	S	S	*	*	S	Bend	trans	-82	14	-164.7	-173	0	0	0	0	112.7
45	V	39.2	Very low	35.4	Very low	109 Å²	109	128.8 Å²	128.8	66%	0.661	77%	0.765	S	S	*	*	S	Bend	trans	-134.8	105.2	176.3	-171.8	0	0	0	0	109.2	S43 V47	S43-V45 PolarHBondContact O-N 3.35Å; S43-V45 VanDerWaalsContact O-N 3.09Å; V45-V47 PolarHBondContact O-N 3.02Å; V45-V47 VanDerWaalsContact O-N 3.07Å
46	P	40.9	Very low	35.9	Very low	119 Å²	119	124.3 Å²	124.3	77%	0.773	76%	0.763	S	S	*	*			trans	-69	106.8	170.6	27.6	-32.1	0	0	0	109.2	R48	P46-R48 PolarHBondContact O-N 2.93Å
47	V	46.3	Very low	36.7	Very low	122 Å²	122	125.5 Å²	125.5	74%	0.739	77%	0.765	S	S	*	*			trans	-61.3	108.1	171.6	175.6	0	0	0	0	108.1	V45 E49	V45-V47 PolarHBondContact O-N 3.02Å; V45-V47 VanDerWaalsContact O-N 3.07Å; V47-E49 HydrophobicContact CG1-CG 4.29Å; V47-E49 PolarHBondContact O-N 3.2Å; V47-E49 VanDerWaalsContact O-N 3.08Å
48	R	42.3	Very low	37	Very low	200 Å²	200	128.7 Å²	128.7	76%	0.755	77%	0.773	S	S	*	*			trans	-82.1	89.6	-176.8	-173.6	171.1	176.4	91	-6.1	110.3	P46 K50	P46-R48 PolarHBondContact O-N 2.93Å; R48-K50 HydrophobicContact CG-CB 4.31Å; R48-K50 PolarHBondContact O-N 3.25Å
49	E	42.6	Very low	37.8	Very low	181 Å²	181	126.7 Å²	126.7	85%	0.846	77%	0.768	S	S	*	*			trans	-67.4	32.2	177.8	-59.9	-175.1	131.2	0	0	114.9	V47	V47-E49 HydrophobicContact CG1-CG 4.29Å; V47-E49 PolarHBondContact O-N 3.2Å; V47-E49 VanDerWaalsContact O-N 3.08Å
50	K	40.4	Very low	39.2	Very low	156 Å²	156	124.1 Å²	124.1	68%	0.678	76%	0.76	S	S	*	*			trans	-120	57	-176.2	-127	174.7	-171.5	174.1	0	112.1	R48	R48-K50 HydrophobicContact CG-CB 4.31Å; R48-K50 PolarHBondContact O-N 3.25Å
51	S	40.5	Very low	40.4	Very low	111 Å²	111	123 Å²	123	78%	0.776	76%	0.763	S	S	*	*			trans	-112.9	-7.7	-177.5	-60.1	0	0	0	0	115
52	T	38.9	Very low	41.5	Very low	137 Å²	137	124.1 Å²	124.1	84%	0.84	76%	0.764	S	S	*	*	S	Bend	trans	-101.8	-4.9	175.9	46.8	0	0	0	0	114	V54	T52-V54 VanDerWaalsContact C-N 3.32Å; T52-V54 PolarHBondContact O-N 3.31Å
53	A	36.7	Very low	42.7	Very low	68 Å²	68	120.3 Å²	120.3	56%	0.562	74%	0.741	S	S	*	*			trans	-69.9	94.2	162.5	0	0	0	0	0	108.4	A55	A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.18Å
54	V	40	Very low	44.3	Very low	137 Å²	137	121 Å²	121	83%	0.83	75%	0.746	S	S	*	*			trans	-49.1	108.1	155.8	173.7	0	0	0	0	105.5	T52 A56	T52-V54 VanDerWaalsContact C-N 3.32Å; T52-V54 PolarHBondContact O-N 3.31Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.47Å
55	A	36.8	Very low	46.1	Very low	90 Å²	90	116.3 Å²	116.3	74%	0.744	72%	0.719	S	S	*	*			trans	-60.2	104.3	178.3	0	0	0	0	0	106.5	A53 A57	A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.18Å; A55-A57 PolarHBondContact O-N 3.44Å
56	A	37.8	Very low	48.5	Very low	92 Å²	92	120.3 Å²	120.3	76%	0.76	73%	0.728	S	S	*	*			trans	-50.1	117	179.8	0	0	0	0	0	106.7	V54 K58	V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.47Å; A56-K58 PolarHBondContact O-N 3.21Å
57	A	41.3	Very low	50.7	Low	97 Å²	97	116.8 Å²	116.8	80%	0.802	71%	0.708	S	S	*	*			trans	-66.2	92	179.5	0	0	0	0	0	106.5	A55 P59	A55-A57 PolarHBondContact O-N 3.44Å; A57-P59 WeakPolarHBondContact O-CD 3.46Å
58	K	32.3	Very low	52.7	Low	192 Å²	192	112.6 Å²	112.6	84%	0.835	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-48.6	117.6	174.1	-177.5	175.2	-177.7	175.8	0	105.5	A56 A60	A56-K58 PolarHBondContact O-N 3.21Å; K58-A60 PolarHBondContact O-N 3.43Å
59	P	44.1	Very low	55.1	Low	112 Å²	112	109.7 Å²	109.7	73%	0.727	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-55	132.6	-178.5	22.4	-32	0	0	0	106.9	A57 A61	A57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-A61 PolarHBondContact O-N 3.49Å
60	A	53.6	Low	57.5	Low	71 Å²	71	105 Å²	105	59%	0.587	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-52.4	138.6	-176.6	0	0	0	0	0	108.8	K58 V62	K58-A60 PolarHBondContact O-N 3.43Å; A60-V62 PolarHBondContact O-N 3.21Å
61	A	52.8	Low	60	Low	98 Å²	98	98.3 Å²	98.3	81%	0.81	63%	0.627	S	S	*	*			trans	-45.1	128	179.2	0	0	0	0	0	109.5	P59 A63	P59-A61 PolarHBondContact O-N 3.49Å; A61-A63 PolarHBondContact O-N 3.31Å
62	V	54.8	Low	62.5	Low	138 Å²	138	94.8 Å²	94.8	84%	0.836	61%	0.605	S	S	*	*			trans	-48.8	124.7	-173.1	-179.1	0	0	0	0	108.7	A60 S64	A60-V62 PolarHBondContact O-N 3.21Å; V62-S64 PolarHBondContact O-N 2.61Å
63	A	57	Low	65.1	Low	42 Å²	42	93.1 Å²	93.1	35%	0.347	59%	0.586	S	S	.	*			trans	-62.5	102.7	177.2	0	0	0	0	0	108.3	A61 S65 D68	A61-A63 PolarHBondContact O-N 3.31Å; A63-S65 PolarHBondContact O-N 3.24Å; A63-D68 HydrophobicContact CB-CB 3.91Å
64	S	66.3	Low	67.9	Low	122 Å²	122	93.8 Å²	93.8	85%	0.853	58%	0.58	S	S	*	*			trans	-73.7	-14.6	-172.4	-167.1	0	0	0	0	112.9	V62	V62-S64 PolarHBondContact O-N 2.61Å
65	S	84.3	Confident	70.5	Confident	48 Å²	48	87.5 Å²	87.5	34%	0.336	54%	0.542	S	S	.	.	S	Bend	trans	-128.4	154.5	179.5	79.9	0	0	0	0	111.6	A63 A67 D68 Y69	A63-S65 PolarHBondContact O-N 3.24Å; S65-A67 PolarHBondContact O-N 3.27Å; S65-A67 PolarHBondContact OG-N 3.41Å; S65-D68 WeakPolarHBondContact CB-OD2 3.37Å; S65-D68 PolarHBondContact O-N 3.05Å; S65-D68 PolarHBondContact OG-N 2.59Å; S65-D68 PolarHBondContact OG-OD2 2.95Å; S65-Y69 PolarHBondContact O-N 2.81Å
66	K	88.6	Confident	73.3	Confident	194 Å²	194	87 Å²	87	84%	0.843	53%	0.527	S	S	*	.	H	α-helix	trans	-59.9	-32.9	173	-66.9	-178.2	-180	178.6	0	111.5	Y69 V70	K66-Y69 PolarHBondContact O-N 3.09Å; K66-V70 WeakPolarHBondContact O-CG2 3.48Å; K66-V70 PolarHBondContact O-N 3.44Å
67	A	88.4	Confident	76	Confident	44 Å²	44	87.5 Å²	87.5	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-47.4	178.1	0	0	0	0	0	112	S65 Y69 V70 V71 F218	S65-A67 PolarHBondContact O-N 3.27Å; S65-A67 PolarHBondContact OG-N 3.41Å; A67-Y69 PolarHBondContact O-N 2.86Å; A67-V70 PolarHBondContact O-N 2.87Å; A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 3.49Å; A67-F218 HydrophobicContact CB-CE1 4.18Å; A67-F218 HydrophobicContact CB-CZ 3.73Å
68	D	88.3	Confident	78.6	Confident	34 Å²	34	85.3 Å²	85.3	18%	0.182	49%	0.492	C	S	.	.	H	α-helix	trans	-55.4	-39.6	174.9	-74.8	-78	0	0	0	111.6	A63 S65 A72 R219	A63-D68 HydrophobicContact CB-CB 3.91Å; S65-D68 WeakPolarHBondContact CB-OD2 3.37Å; S65-D68 PolarHBondContact O-N 3.05Å; S65-D68 PolarHBondContact OG-N 2.59Å; S65-D68 PolarHBondContact OG-OD2 2.95Å; D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.36Å; D68-A72 PolarHBondContact O-N 2.92Å; D68-R219 IonicContact OD1-CZ 3.37Å; D68-R219 IonicContact OD1-NE 3.68Å; D68-R219 IonicContact OD1-NH2 2.91Å; D68-R219 PolarHBondContact OD1-NH2 3.26Å
69	Y	91.6	Very high	81.7	Confident	139 Å²	139	76.3 Å²	76.3	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-65.8	-46.7	179	-175	-88.7	0	0	0	112.1	S65 K66 A67 A72 K73	S65-Y69 PolarHBondContact O-N 2.81Å; K66-Y69 PolarHBondContact O-N 3.09Å; A67-Y69 PolarHBondContact O-N 2.86Å; Y69-A72 PolarHBondContact O-N 3.3Å; Y69-K73 HydrophobicContact CD1-CG 4.26Å; Y69-K73 HydrophobicContact CE1-CG 3.85Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 2.93Å
70	V	93.4	Very high	84.2	Confident	82 Å²	82	77.8 Å²	77.8	50%	0.497	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-45.9	177.3	173.1	0	0	0	0	110.6	K66 A67 A72 K73 L74	K66-V70 WeakPolarHBondContact O-CG2 3.48Å; K66-V70 PolarHBondContact O-N 3.44Å; A67-V70 PolarHBondContact O-N 2.87Å; V70-A72 PolarHBondContact O-N 3.47Å; V70-K73 PolarHBondContact O-N 3.41Å; V70-K73 VanDerWaalsContact O-N 3.09Å; V70-L74 HydrophobicContact CG1-CD1 4.22Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.31Å
71	V	93.8	Very high	86.2	Confident	16 Å²	16	76.4 Å²	76.4	10%	0.097	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-41.8	178.5	172	0	0	0	0	111.7	A67 K73 L74 D75 I214 F218	A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 3.49Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 2.91Å; V71-L74 PolarHBondContact O-N 2.9Å; V71-D75 PolarHBondContact O-N 3.25Å; V71-I214 HydrophobicContact CG1-CB 4.26Å; V71-I214 HydrophobicContact CG1-CG2 3.89Å; V71-F218 HydrophobicContact CG1-CB 4.13Å; V71-F218 HydrophobicContact CG2-CB 4.3Å; V71-F218 HydrophobicContact CG2-CD1 4.16Å; V71-F218 HydrophobicContact CG2-CD2 4.2Å; V71-F218 HydrophobicContact CG2-CG 3.94Å
72	A	92	Very high	88.2	Confident	38 Å²	38	75.2 Å²	75.2	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-35.6	174.2	0	0	0	0	0	112.5	D68 Y69 V70 D76	D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.36Å; D68-A72 PolarHBondContact O-N 2.92Å; Y69-A72 PolarHBondContact O-N 3.3Å; V70-A72 PolarHBondContact O-N 3.47Å; A72-D76 PolarHBondContact O-N 3.13Å
73	K	94.3	Very high	90.1	Very high	101 Å²	101	72.1 Å²	72.1	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-73.1	-31.7	175.7	-69.5	-66.1	163.6	-151.3	0	113.8	Y69 V70 V71 D76 L77	Y69-K73 HydrophobicContact CD1-CG 4.26Å; Y69-K73 HydrophobicContact CE1-CG 3.85Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 2.93Å; V70-K73 PolarHBondContact O-N 3.41Å; V70-K73 VanDerWaalsContact O-N 3.09Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 2.91Å; K73-D76 IonicContact NZ-OD2 3.04Å; K73-D76 PolarHBondContact NZ-OD2 3.04Å; K73-L77 WeakPolarHBondContact O-CB 3.26Å; K73-L77 PolarHBondContact O-N 3.44Å
74	L	94.9	Very high	91.9	Very high	82 Å²	82	72.4 Å²	72.4	43%	0.429	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-42.1	171	-66.4	172.1	0	0	0	111.3	V70 V71 L77 V78 I214	V70-L74 HydrophobicContact CG1-CD1 4.22Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.31Å; V71-L74 PolarHBondContact O-N 2.9Å; L74-L77 PolarHBondContact O-N 3.41Å; L74-V78 WeakPolarHBondContact O-CG2 3.26Å; L74-V78 PolarHBondContact O-N 3.23Å; L74-I214 HydrophobicContact CB-CD1 3.88Å
75	D	94.4	Very high	93.2	Very high	5 Å²	5	69 Å²	69	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-60.3	-47.8	171.6	-91.5	-39.7	0	0	0	111.3	V71 L77 V78 N79 K212 K213 I214 S215	V71-D75 PolarHBondContact O-N 3.25Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 2.99Å; D75-V78 PolarHBondContact O-N 2.81Å; D75-N79 VanDerWaalsContact O-CB 3.24Å; D75-N79 WeakPolarHBondContact O-CB 3.37Å; D75-N79 PolarHBondContact O-N 3.33Å; D75-N79 PolarHBondContact O-ND2 3.17Å; D75-N79 VanDerWaalsContact O-ND2 3.09Å; D75-K212 WeakPolarHBondContact OD2-CA 3.05Å; D75-K213 PolarHBondContact OD1-N 3.16Å; D75-K213 VanDerWaalsContact OD1-N 3.12Å; D75-I214 WeakPolarHBondContact OD1-CB 3.48Å; D75-I214 WeakPolarHBondContact OD1-CG1 3.38Å; D75-I214 PolarHBondContact OD1-N 3.12Å; D75-S215 VanDerWaalsContact OD2-CB 3.28Å; D75-S215 WeakPolarHBondContact OD2-CB 3.44Å; D75-S215 PolarHBondContact OD2-N 3.26Å; D75-S215 PolarHBondContact OD2-OG 3.13Å
76	D	95.1	Very high	93.7	Very high	80 Å²	80	66.9 Å²	66.9	43%	0.428	34%	0.342	S	S	.	.	H	α-helix	trans	-53.5	-45.1	176.3	-83.2	-22.3	0	0	0	111.7	A72 K73 W80	A72-D76 PolarHBondContact O-N 3.13Å; K73-D76 IonicContact NZ-OD2 3.04Å; K73-D76 PolarHBondContact NZ-OD2 3.04Å; D76-W80 WeakPolarHBondContact O-CB 3.37Å; D76-W80 PolarHBondContact O-N 3.05Å
77	L	95.8	Very high	94.1	Very high	103 Å²	103	63.2 Å²	63.2	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-48.2	-178.6	-179.3	63.8	0	0	0	112.5	K73 L74 D75 N79 W80 A81	K73-L77 WeakPolarHBondContact O-CB 3.26Å; K73-L77 PolarHBondContact O-N 3.44Å; L74-L77 PolarHBondContact O-N 3.41Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 2.99Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.23Å; L77-W80 HydrophobicContact CD1-CE3 4.17Å; L77-W80 WeakPolarHBondContact O-CB 3.37Å; L77-W80 PolarHBondContact O-N 2.99Å; L77-A81 PolarHBondContact O-N 3.48Å
78	V	95.8	Very high	94.4	Very high	50 Å²	50	61.2 Å²	61.2	30%	0.303	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-39.2	179.6	170.7	0	0	0	0	111.1	L74 D75 A81 R82 I214	L74-V78 WeakPolarHBondContact O-CG2 3.26Å; L74-V78 PolarHBondContact O-N 3.23Å; D75-V78 PolarHBondContact O-N 2.81Å; V78-A81 PolarHBondContact O-N 3.08Å; V78-R82 VanDerWaalsContact CG1-CZ 3.47Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 2.92Å; V78-I214 HydrophobicContact CG2-CD1 4.17Å
79	N	96.2	Very high	94.8	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-30.3	175.7	-67.9	-27.2	0	0	0	112.7	D75 L77 R83 E211	D75-N79 VanDerWaalsContact O-CB 3.24Å; D75-N79 WeakPolarHBondContact O-CB 3.37Å; D75-N79 PolarHBondContact O-N 3.33Å; D75-N79 PolarHBondContact O-ND2 3.17Å; D75-N79 VanDerWaalsContact O-ND2 3.09Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.23Å; N79-R83 WeakPolarHBondContact O-CB 3.42Å; N79-R83 VanDerWaalsContact O-CG 3.25Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 2.94Å; N79-R83 VanDerWaalsContact O-N 3.08Å; N79-E211 PolarHBondContact ND2-O 3.37Å
80	W	95.9	Very high	94.9	Very high	143 Å²	143	56.3 Å²	56.3	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-51.2	170.2	172.2	73.9	0	0	0	110.9	D76 L77 R82 R83 S84	D76-W80 WeakPolarHBondContact O-CB 3.37Å; D76-W80 PolarHBondContact O-N 3.05Å; L77-W80 HydrophobicContact CD1-CE3 4.17Å; L77-W80 WeakPolarHBondContact O-CB 3.37Å; L77-W80 PolarHBondContact O-N 2.99Å; W80-R82 PolarHBondContact O-N 2.98Å; W80-R83 WeakPolarHBondContact O-CG 3.27Å; W80-R83 PolarHBondContact O-N 3.05Å; W80-S84 WeakPolarHBondContact O-CB 3.24Å; W80-S84 PolarHBondContact O-N 2.95Å; W80-S84 PolarHBondContact O-OG 2.68Å
81	A	95.6	Very high	95	Very high	42 Å²	42	53.5 Å²	53.5	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-54.7	-54.6	177.3	0	0	0	0	0	111.5	L77 V78 R83 S84 S85	L77-A81 PolarHBondContact O-N 3.48Å; V78-A81 PolarHBondContact O-N 3.08Å; A81-R83 PolarHBondContact O-N 3.38Å; A81-S84 WeakPolarHBondContact CA-OG 3.41Å; A81-S84 PolarHBondContact O-N 3.09Å; A81-S84 VanDerWaalsContact O-N 3.12Å; A81-S84 PolarHBondContact O-OG 3.11Å; A81-S85 PolarHBondContact O-N 3.04Å; A81-S85 VanDerWaalsContact O-N 3.17Å; A81-S85 PolarHBondContact O-OG 2.7Å
82	R	95.1	Very high	95	Very high	74 Å²	74	55 Å²	55	28%	0.279	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-42.9	179.4	-72.1	175.8	-178.4	153.4	3.3	113.7	V78 W80 S84 L86 I208	V78-R82 VanDerWaalsContact CG1-CZ 3.47Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 2.92Å; W80-R82 PolarHBondContact O-N 2.98Å; R82-S84 VanDerWaalsContact C-N 3.32Å; R82-L86 WeakPolarHBondContact O-CD2 3.4Å; R82-I208 HydrophobicContact CB-CG2 3.92Å
83	R	95.1	Very high	95.2	Very high	72 Å²	72	55.8 Å²	55.8	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-77.6	-18.1	-178.8	82.1	-171.1	177.3	81.6	1.2	113.2	N79 W80 A81 Q205 I208	N79-R83 WeakPolarHBondContact O-CB 3.42Å; N79-R83 VanDerWaalsContact O-CG 3.25Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 2.94Å; N79-R83 VanDerWaalsContact O-N 3.08Å; W80-R83 WeakPolarHBondContact O-CG 3.27Å; W80-R83 PolarHBondContact O-N 3.05Å; A81-R83 PolarHBondContact O-N 3.38Å; R83-Q205 HydrophobicContact CB-CB 4.12Å; R83-Q205 HydrophobicContact CB-CG 4.18Å; R83-Q205 PolarHBondContact O-NE2 2.87Å; R83-I208 HydrophobicContact CB-CB 4.39Å; R83-I208 HydrophobicContact CB-CG2 4.14Å
84	S	94.3	Very high	95.3	Very high	48 Å²	48	52.7 Å²	52.7	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-91.2	-10.4	177.5	60.2	0	0	0	0	114.3	W80 A81 R82 G114	W80-S84 WeakPolarHBondContact O-CB 3.24Å; W80-S84 PolarHBondContact O-N 2.95Å; W80-S84 PolarHBondContact O-OG 2.68Å; A81-S84 WeakPolarHBondContact CA-OG 3.41Å; A81-S84 PolarHBondContact O-N 3.09Å; A81-S84 VanDerWaalsContact O-N 3.12Å; A81-S84 PolarHBondContact O-OG 3.11Å; R82-S84 VanDerWaalsContact C-N 3.32Å; S84-G114 WeakPolarHBondContact O-CA 3.4Å
85	S	94.8	Very high	95.4	Very high	51 Å²	51	52.2 Å²	52.2	36%	0.357	29%	0.285	S	S	.	.	S	Bend	trans	-137.8	72.2	178.3	61.3	0	0	0	0	109.2	A81 G114	A81-S85 PolarHBondContact O-N 3.04Å; A81-S85 VanDerWaalsContact O-N 3.17Å; A81-S85 PolarHBondContact O-OG 2.7Å; S85-G114 WeakPolarHBondContact CA-O 3.41Å
86	L	94.4	Very high	95.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-92.2	116.1	177.3	-70.6	175.8	0	0	0	108.7	R82 P88 G114 V115 V116 V126 Q205 I208	R82-L86 WeakPolarHBondContact O-CD2 3.4Å; L86-P88 VanDerWaalsContact C-CD 3.47Å; L86-P88 WeakPolarHBondContact O-CD 3.28Å; L86-G114 PolarHBondContact N-O 3.07Å; L86-V115 HydrophobicContact CB-CG1 4.38Å; L86-V115 HydrophobicContact CB-CG2 4.44Å; L86-V115 VanDerWaalsContact O-CA 3.27Å; L86-V115 WeakPolarHBondContact O-CA 3.16Å; L86-V115 WeakPolarHBondContact O-CG1 3.46Å; L86-V116 PolarHBondContact O-N 3.03Å; L86-V126 HydrophobicContact CB-CG2 4.32Å; L86-V126 HydrophobicContact CD2-CG2 3.93Å; L86-Q205 HydrophobicContact CD1-CG 3.58Å; L86-I208 HydrophobicContact CD1-CD1 4.45Å; L86-I208 HydrophobicContact CD2-CD1 3.6Å
87	W	96.4	Very high	95.6	Very high	116 Å²	116	49.5 Å²	49.5	44%	0.439	27%	0.274	S	S	.	.			trans	-103.2	92.6	177.8	-62.8	-19.1	0	0	0	111.2	V116 A124 D125 V126	W87-V116 WeakPolarHBondContact CA-O 3.45Å; W87-A124 CarbonylContact O-C 3.58Å; W87-A124 VanDerWaalsContact O-CA 3.23Å; W87-A124 WeakPolarHBondContact O-CA 3.14Å; W87-A124 VanDerWaalsContact O-CB 3.3Å; W87-A124 WeakPolarHBondContact O-CB 3.42Å; W87-D125 PolarHBondContact N-OD2 3.12Å; W87-D125 PolarHBondContact O-N 3.37Å; W87-V126 PolarHBondContact O-N 2.82Å
88	P	95.7	Very high	95.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.7	175.4	23.2	-31.5	0	0	0	113.4	L86 M110 V115 V116 F117 R118 V126 I128	L86-P88 VanDerWaalsContact C-CD 3.47Å; L86-P88 WeakPolarHBondContact O-CD 3.28Å; P88-M110 HydrophobicContact CG-CE 3.97Å; P88-V115 VanDerWaalsContact CD-CG1 3.45Å; P88-V115 HydrophobicContact CG-CG1 3.54Å; P88-V116 VanDerWaalsContact CD-O 3.31Å; P88-V116 WeakPolarHBondContact CD-O 3.31Å; P88-F117 HydrophobicContact CB-CD1 4.24Å; P88-F117 HydrophobicContact CB-CE1 4.36Å; P88-F117 HydrophobicContact CG-CD1 3.71Å; P88-F117 HydrophobicContact CG-CE1 3.89Å; P88-F117 WeakPolarHBondContact O-CA 2.94Å; P88-R118 PolarHBondContact O-N 3.42Å; P88-V126 CarbonylContact C-O 3.51Å; P88-V126 WeakPolarHBondContact CA-O 3.37Å; P88-V126 HydrophobicContact CB-CB 4.13Å; P88-I128 HydrophobicContact CB-CD1 3.64Å; P88-I128 HydrophobicContact CB-CG1 3.84Å; P88-I128 HydrophobicContact CG-CD1 4.17Å
89	M	95.1	Very high	95.8	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.034	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.7	150.9	86.4	-84.3	-84.6	0	0	110.4	F91 R118 P121 A124 V126 M127 I128 V144 M148	M89-F91 HydrophobicContact CG-CD2 4.38Å; M89-R118 WeakPolarHBondContact CA-O 3.41Å; M89-R118 WeakPolarHBondContact CB-O 3.38Å; M89-P121 VanDerWaalsContact CE-CA 3.48Å; M89-P121 HydrophobicContact CE-CB 3.37Å; M89-A124 HydrophobicContact CB-CB 3.94Å; M89-A124 HydrophobicContact CE-CB 3.74Å; M89-A124 HydrophobicContact SD-CB 4.08Å; M89-V126 PolarHBondContact N-O 2.81Å; M89-M127 HydrophobicContact CG-CG 4.17Å; M89-M127 WeakPolarHBondContact SD-CA 3.42Å; M89-M127 HydrophobicContact SD-CB 3.42Å; M89-M127 WeakPolarHBondContact SD-CB 3.2Å; M89-M127 HydrophobicContact SD-CG 3.59Å; M89-M127 VanDerWaalsContact SD-CG 3.59Å; M89-M127 HydrophobicContact SD-SD 4.43Å; M89-I128 PolarHBondContact O-N 3.19Å; M89-V144 HydrophobicContact CE-CG1 4.34Å; M89-M148 HydrophobicContact CE-CE 3.62Å; M89-M148 HydrophobicContact CE-CG 3.35Å; M89-M148 HydrophobicContact CE-SD 3.41Å; M89-M148 WeakPolarHBondContact CE-SD 3.45Å; M89-M148 HydrophobicContact SD-CE 3.72Å; M89-M148 HydrophobicContact SD-SD 3.83Å
90	T	94.3	Very high	95.8	Very high	63 Å²	63	48 Å²	48	39%	0.387	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.3	-173.6	56.4	0	0	0	0	110.6	G92 M100 F117	T90-G92 VanDerWaalsContact C-N 3.3Å; T90-G92 PolarHBondContact O-N 3.03Å; T90-M100 WeakPolarHBondContact CB-SD 3.49Å; T90-M100 HydrophobicContact CG2-CE 4.41Å; T90-M100 HydrophobicContact CG2-SD 3.2Å; T90-M100 WeakPolarHBondContact CG2-SD 3.44Å; T90-F117 HydrophobicContact CG2-CB 4.42Å; T90-F117 HydrophobicContact CG2-CD1 3.06Å; T90-F117 HydrophobicContact CG2-CD2 4.28Å; T90-F117 HydrophobicContact CG2-CE1 3.16Å; T90-F117 HydrophobicContact CG2-CE2 4.3Å; T90-F117 HydrophobicContact CG2-CG 3.71Å; T90-F117 HydrophobicContact CG2-CZ 3.82Å
91	F	95.1	Very high	95.8	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	73.6	166.9	-98	-88.2	0	0	0	109.3	M89 L93 M127 I128 A130 M137 L141 V144	M89-F91 HydrophobicContact CG-CD2 4.38Å; F91-L93 HydrophobicContact CD1-CD2 4.17Å; F91-L93 HydrophobicContact CD1-CG 4.46Å; F91-L93 PolarHBondContact O-N 3.27Å; F91-L93 VanDerWaalsContact O-N 3.07Å; F91-M127 HydrophobicContact CD2-CG 3.87Å; F91-M127 HydrophobicContact CD2-SD 3.83Å; F91-M127 HydrophobicContact CE2-CG 4.38Å; F91-M127 HydrophobicContact CE2-SD 3.83Å; F91-I128 WeakPolarHBondContact CB-O 3.28Å; F91-I128 PolarHBondContact N-O 3.1Å; F91-A130 CarbonylContact O-C 3.49Å; F91-A130 WeakPolarHBondContact O-CA 3.45Å; F91-A130 PolarHBondContact O-N 3.31Å; F91-M137 HydrophobicContact CD1-CE 4.38Å; F91-M137 HydrophobicContact CE1-CE 3.75Å; F91-L141 HydrophobicContact CD1-CD1 3.78Å; F91-L141 HydrophobicContact CD2-CD1 3.85Å; F91-L141 HydrophobicContact CE1-CD1 3.84Å; F91-L141 HydrophobicContact CE2-CD1 3.9Å; F91-L141 HydrophobicContact CG-CD1 3.77Å; F91-L141 HydrophobicContact CZ-CD1 3.89Å; F91-V144 HydrophobicContact CE2-CB 3.86Å; F91-V144 HydrophobicContact CE2-CG1 3.58Å; F91-V144 HydrophobicContact CE2-CG2 4.4Å; F91-V144 HydrophobicContact CZ-CB 3.71Å; F91-V144 HydrophobicContact CZ-CG1 3.89Å; F91-V144 HydrophobicContact CZ-CG2 3.85Å
92	G	95.5	Very high	95.8	Very high	46 Å²	46	49.8 Å²	49.8	47%	0.474	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	90.3	174.5	0	0	0	0	0	111.3	T90	T90-G92 VanDerWaalsContact C-N 3.3Å; T90-G92 PolarHBondContact O-N 3.03Å
93	L	95	Very high	95.9	Very high	55 Å²	55	46.3 Å²	46.3	29%	0.288	26%	0.262	S	S	.	.			trans	-98.8	-26.5	-174.2	-66	177.3	0	0	0	114	F91 V129 A130 L133 M137	F91-L93 HydrophobicContact CD1-CD2 4.17Å; F91-L93 HydrophobicContact CD1-CG 4.46Å; F91-L93 PolarHBondContact O-N 3.27Å; F91-L93 VanDerWaalsContact O-N 3.07Å; L93-V129 HydrophobicContact CD1-CG1 4.41Å; L93-A130 PolarHBondContact N-O 3.17Å; L93-L133 HydrophobicContact CD1-CD1 4.14Å; L93-M137 HydrophobicContact CD2-CE 4.28Å; L93-M137 HydrophobicContact CD2-CG 4.03Å
94	A	96.6	Very high	95.8	Very high	36 Å²	36	45 Å²	45	30%	0.298	27%	0.267	S	S	.	.	S	Bend	trans	-155.5	-158.8	-175.8	0	0	0	0	0	111.2	C96 A97 A130	A94-C96 PolarHBondContact O-N 2.94Å; A94-A97 WeakPolarHBondContact O-CB 3.3Å; A94-A97 PolarHBondContact O-N 3.46Å; A94-A130 PolarHBondContact N-O 2.86Å
95	C	97.6	Very high	95.9	Very high	72 Å²	72	44.2 Å²	44.2	49%	0.486	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.5	-178.3	58.3	0	0	0	0	115.7	A97 V98	C95-A97 PolarHBondContact O-N 3.1Å; C95-V98 WeakPolarHBondContact O-CB 3.41Å; C95-V98 PolarHBondContact O-N 3.32Å; C95-V98 VanDerWaalsContact O-N 3.08Å
96	C	97.3	Very high	96	Very high	5 Å²	5	48 Å²	48	3%	0.034	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-22.8	174.8	-65.1	0	0	0	0	112.9	A94 V98 E99 M100 A130 M157	A94-C96 PolarHBondContact O-N 2.94Å; C96-V98 VanDerWaalsContact C-N 3.27Å; C96-V98 PolarHBondContact O-N 3.3Å; C96-E99 PolarHBondContact O-N 3.45Å; C96-M100 PolarHBondContact O-N 3Å; C96-A130 HydrophobicContact CB-CB 3.92Å; C96-M157 HydrophobicContact CB-CE 4.01Å; C96-M157 HydrophobicContact CB-CG 4.14Å; C96-M157 HydrophobicContact CB-SD 4.02Å; C96-M157 WeakPolarHBondContact O-CE 3.44Å
97	A	96.8	Very high	96	Very high	23 Å²	23	57.5 Å²	57.5	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-34.4	172.1	0	0	0	0	0	112.3	A94 C95 M100 M101	A94-A97 WeakPolarHBondContact O-CB 3.3Å; A94-A97 PolarHBondContact O-N 3.46Å; C95-A97 PolarHBondContact O-N 3.1Å; A97-M100 WeakPolarHBondContact O-CB 3.23Å; A97-M100 PolarHBondContact O-N 2.96Å; A97-M101 WeakPolarHBondContact O-CG 3.37Å; A97-M101 PolarHBondContact O-N 3.23Å
98	V	97.1	Very high	95.9	Very high	77 Å²	77	54.5 Å²	54.5	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-45.5	179.8	-175.8	0	0	0	0	110.7	C95 C96 M100 M101 H102	C95-V98 WeakPolarHBondContact O-CB 3.41Å; C95-V98 PolarHBondContact O-N 3.32Å; C95-V98 VanDerWaalsContact O-N 3.08Å; C96-V98 VanDerWaalsContact C-N 3.27Å; C96-V98 PolarHBondContact O-N 3.3Å; V98-M100 PolarHBondContact O-N 3.08Å; V98-M101 CarbonylContact O-C 3.52Å; V98-M101 WeakPolarHBondContact O-CA 3.42Å; V98-M101 WeakPolarHBondContact O-CB 3.33Å; V98-M101 PolarHBondContact O-N 3.1Å; V98-M101 VanDerWaalsContact O-N 3.09Å; V98-H102 PolarHBondContact O-N 3.16Å
99	E	97.6	Very high	95.9	Very high	41 Å²	41	57.3 Å²	57.3	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-27.6	173.8	-78.7	-61.3	119.4	0	0	112.8	C96 H102 M103 M157 P191 P192 T193 A194	C96-E99 PolarHBondContact O-N 3.45Å; E99-H102 PolarHBondContact O-N 2.99Å; E99-H102 IonicContact OE1-CE1 2.68Å; E99-H102 IonicContact OE1-CG 3.25Å; E99-H102 IonicContact OE1-ND1 3.11Å; E99-H102 PolarHBondContact OE1-ND1 2.81Å; E99-M103 PolarHBondContact O-N 3.12Å; E99-M157 HydrophobicContact CB-CE 3.88Å; E99-P191 HydrophobicContact CB-CB 4.25Å; E99-P191 HydrophobicContact CG-CB 3.79Å; E99-P191 HydrophobicContact CG-CG 3.66Å; E99-P192 WeakPolarHBondContact CB-O 3.4Å; E99-P192 WeakPolarHBondContact CG-O 3.18Å; E99-T193 WeakPolarHBondContact OE2-CA 3.48Å; E99-A194 PolarHBondContact OE2-N 3.16Å
100	M	96.4	Very high	95.8	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-39.6	170.2	-171.5	-165.5	-49.5	0	0	111.8	T90 C96 A97 V98 H102 M103 A104 F117 I128 A130 M157 L197	T90-M100 WeakPolarHBondContact CB-SD 3.49Å; T90-M100 HydrophobicContact CG2-CE 4.41Å; T90-M100 HydrophobicContact CG2-SD 3.2Å; T90-M100 WeakPolarHBondContact CG2-SD 3.44Å; C96-M100 PolarHBondContact O-N 3Å; A97-M100 WeakPolarHBondContact O-CB 3.23Å; A97-M100 PolarHBondContact O-N 2.96Å; V98-M100 PolarHBondContact O-N 3.08Å; M100-H102 VanDerWaalsContact C-N 3.3Å; M100-H102 PolarHBondContact O-N 2.96Å; M100-M103 WeakPolarHBondContact O-CB 3.22Å; M100-M103 PolarHBondContact O-N 3Å; M100-A104 PolarHBondContact O-N 3.24Å; M100-F117 HydrophobicContact CG-CE1 4.2Å; M100-F117 HydrophobicContact CG-CE2 4.32Å; M100-F117 HydrophobicContact CG-CZ 3.53Å; M100-F117 HydrophobicContact SD-CE1 3.91Å; M100-F117 HydrophobicContact SD-CZ 3.73Å; M100-I128 HydrophobicContact CE-CB 4.1Å; M100-I128 HydrophobicContact CE-CG2 3.63Å; M100-A130 HydrophobicContact CE-CB 3.1Å; M100-M157 HydrophobicContact CB-CE 4.27Å; M100-M157 HydrophobicContact CB-SD 4.17Å; M100-M157 HydrophobicContact CE-SD 4.14Å; M100-L197 HydrophobicContact CB-CD2 4.05Å; M100-L197 HydrophobicContact CG-CD2 3.94Å
101	M	96.3	Very high	95.8	Very high	136 Å²	136	59 Å²	59	67%	0.67	33%	0.333	S	S	*	.	H	α-helix	trans	-64.7	-35.3	171.4	-65.8	169.5	76.9	0	0	111.1	A97 V98 M103 A104 A105	A97-M101 WeakPolarHBondContact O-CG 3.37Å; A97-M101 PolarHBondContact O-N 3.23Å; V98-M101 CarbonylContact O-C 3.52Å; V98-M101 WeakPolarHBondContact O-CA 3.42Å; V98-M101 WeakPolarHBondContact O-CB 3.33Å; V98-M101 PolarHBondContact O-N 3.1Å; V98-M101 VanDerWaalsContact O-N 3.09Å; M101-M103 VanDerWaalsContact C-N 3.34Å; M101-M103 PolarHBondContact O-N 3.48Å; M101-A104 CarbonylContact O-C 3.41Å; M101-A104 PolarHBondContact O-N 3.4Å; M101-A105 PolarHBondContact O-N 2.92Å
102	H	96.6	Very high	95.6	Very high	88 Å²	88	66.2 Å²	66.2	41%	0.407	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-32.1	171.2	-66.6	161	0	0	0	113.2	V98 E99 M100 A104 A105 Y108 A194	V98-H102 PolarHBondContact O-N 3.16Å; E99-H102 PolarHBondContact O-N 2.99Å; E99-H102 IonicContact OE1-CE1 2.68Å; E99-H102 IonicContact OE1-CG 3.25Å; E99-H102 IonicContact OE1-ND1 3.11Å; E99-H102 PolarHBondContact OE1-ND1 2.81Å; M100-H102 VanDerWaalsContact C-N 3.3Å; M100-H102 PolarHBondContact O-N 2.96Å; H102-A104 VanDerWaalsContact C-N 3.29Å; H102-A104 PolarHBondContact O-N 3.1Å; H102-A105 VanDerWaalsContact O-CB 3.29Å; H102-A105 WeakPolarHBondContact O-CB 3.31Å; H102-A105 PolarHBondContact O-N 3.05Å; H102-A105 VanDerWaalsContact O-N 3.15Å; H102-Y108 WeakPolarHBondContact O-CD2 3.36Å; H102-A194 HydrophobicContact CB-CB 4.06Å
103	M	95.7	Very high	95.5	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.5	-31.6	171.8	-174.5	-178.7	69.5	0	0	112.7	E99 M100 M101 D109 M110 F117 A194 L197 L198	E99-M103 PolarHBondContact O-N 3.12Å; M100-M103 WeakPolarHBondContact O-CB 3.22Å; M100-M103 PolarHBondContact O-N 3Å; M101-M103 VanDerWaalsContact C-N 3.34Å; M101-M103 PolarHBondContact O-N 3.48Å; M103-D109 PolarHBondContact O-N 3Å; M103-M110 HydrophobicContact CE-CB 4.42Å; M103-M110 HydrophobicContact CE-CE 3.83Å; M103-M110 HydrophobicContact CE-SD 3.6Å; M103-M110 VanDerWaalsContact CE-SD 3.6Å; M103-M110 HydrophobicContact CG-CB 4.27Å; M103-M110 HydrophobicContact CG-SD 4.5Å; M103-M110 PolarHBondContact O-N 3.4Å; M103-F117 HydrophobicContact CE-CZ 4.24Å; M103-A194 HydrophobicContact CB-CB 4.18Å; M103-L197 HydrophobicContact CB-CD2 4.13Å; M103-L197 HydrophobicContact CE-CD2 3.5Å; M103-L197 VanDerWaalsContact CE-CD2 3.5Å; M103-L197 HydrophobicContact CE-CG 3.91Å; M103-L197 HydrophobicContact CG-CD2 4.45Å; M103-L197 HydrophobicContact SD-CB 3.91Å; M103-L197 HydrophobicContact SD-CD2 3.52Å; M103-L197 VanDerWaalsContact SD-CD2 3.52Å; M103-L197 HydrophobicContact SD-CG 3.48Å; M103-L197 WeakPolarHBondContact SD-CG 3.45Å; M103-L198 HydrophobicContact CG-CB 4.28Å; M103-L198 HydrophobicContact SD-CB 4.06Å; M103-L198 HydrophobicContact SD-CD1 4.43Å
104	A	94.4	Very high	95.3	Very high	45 Å²	45	65.2 Å²	65.2	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-85.7	-6.9	171.7	0	0	0	0	0	114.3	M100 M101 H102 M110 F117	M100-A104 PolarHBondContact O-N 3.24Å; M101-A104 CarbonylContact O-C 3.41Å; M101-A104 PolarHBondContact O-N 3.4Å; H102-A104 VanDerWaalsContact C-N 3.29Å; H102-A104 PolarHBondContact O-N 3.1Å; A104-M110 HydrophobicContact CB-CG 4.21Å; A104-M110 HydrophobicContact CB-SD 3.78Å; A104-F117 HydrophobicContact CB-CD2 4.21Å; A104-F117 HydrophobicContact CB-CE2 3.65Å
105	A	95.6	Very high	95.2	Very high	31 Å²	31	63.8 Å²	63.8	26%	0.256	33%	0.333	S	S	.	.	S	Bend	trans	-70.4	152.9	175.2	0	0	0	0	0	110.4	M101 H102 R107 Y108 D109	M101-A105 PolarHBondContact O-N 2.92Å; H102-A105 VanDerWaalsContact O-CB 3.29Å; H102-A105 WeakPolarHBondContact O-CB 3.31Å; H102-A105 PolarHBondContact O-N 3.05Å; H102-A105 VanDerWaalsContact O-N 3.15Å; A105-R107 PolarHBondContact O-N 2.75Å; A105-Y108 PolarHBondContact O-N 3.02Å; A105-D109 PolarHBondContact O-N 3.2Å
106	P	95.8	Very high	94.9	Very high	132 Å²	132	63.2 Å²	63.2	86%	0.857	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.7	-171.3	23.7	-36.1	0	0	0	115.6
107	R	95.8	Very high	94.7	Very high	203 Å²	203	66.1 Å²	66.1	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-40.3	172.4	179.9	176.1	-68.7	-178	0.8	112.6	A105	A105-R107 PolarHBondContact O-N 2.75Å
108	Y	95	Very high	94.5	Very high	52 Å²	52	70.1 Å²	70.1	20%	0.204	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-28.6	-173.6	-62.6	-59.8	0	0	0	112.9	H102 A105 A194 E195	H102-Y108 WeakPolarHBondContact O-CD2 3.36Å; A105-Y108 PolarHBondContact O-N 3.02Å; Y108-A194 HydrophobicContact CD2-CB 3.44Å; Y108-A194 VanDerWaalsContact CD2-CB 3.44Å; Y108-A194 HydrophobicContact CE2-CB 3.56Å; Y108-A194 HydrophobicContact CG-CB 4.25Å; Y108-E195 HydrophobicContact CD1-CG 3.96Å; Y108-E195 HydrophobicContact CE1-CG 3.3Å; Y108-E195 WeakPolarHBondContact CE1-OE1 3.35Å; Y108-E195 PolarHBondContact OH-OE1 2.92Å
109	D	94.1	Very high	94.1	Very high	61 Å²	61	71 Å²	71	33%	0.326	37%	0.365	S	S	.	.			trans	38	84.4	171.7	-177.5	22.5	0	0	0	114.2	M103 A105 D111 R112	M103-D109 PolarHBondContact O-N 3Å; A105-D109 PolarHBondContact O-N 3.2Å; D109-D111 PolarHBondContact O-N 3.35Å; D109-D111 VanDerWaalsContact OD1-CB 3.31Å; D109-D111 WeakPolarHBondContact OD1-CB 3.48Å; D109-D111 PolarHBondContact OD1-N 2.94Å; D109-R112 WeakPolarHBondContact O-CB 3.33Å
110	M	93.1	Very high	93.9	Very high	6 Å²	6	70.7 Å²	70.7	3%	0.03	37%	0.368	C	S	.	.	S	Bend	trans	-65.9	-21.5	174.3	64.5	-174.1	-76	0	0	114.2	P88 M103 A104 R112 F113 V115 F117	P88-M110 HydrophobicContact CG-CE 3.97Å; M103-M110 HydrophobicContact CE-CB 4.42Å; M103-M110 HydrophobicContact CE-CE 3.83Å; M103-M110 HydrophobicContact CE-SD 3.6Å; M103-M110 VanDerWaalsContact CE-SD 3.6Å; M103-M110 HydrophobicContact CG-CB 4.27Å; M103-M110 HydrophobicContact CG-SD 4.5Å; M103-M110 PolarHBondContact O-N 3.4Å; A104-M110 HydrophobicContact CB-CG 4.21Å; A104-M110 HydrophobicContact CB-SD 3.78Å; M110-R112 VanDerWaalsContact C-N 3.3Å; M110-R112 PolarHBondContact O-N 3.33Å; M110-F113 PolarHBondContact O-N 3.19Å; M110-V115 HydrophobicContact CB-CB 4.3Å; M110-V115 HydrophobicContact CE-CB 3.83Å; M110-V115 HydrophobicContact CE-CG1 3.38Å; M110-V115 VanDerWaalsContact CE-O 3.25Å; M110-V115 WeakPolarHBondContact CE-O 3.39Å; M110-V115 WeakPolarHBondContact O-CB 3.37Å; M110-V115 PolarHBondContact O-N 2.83Å; M110-F117 HydrophobicContact CE-CD1 3.77Å; M110-F117 HydrophobicContact CE-CD2 4.39Å; M110-F117 HydrophobicContact CE-CE1 3.34Å; M110-F117 HydrophobicContact CE-CE2 4.06Å; M110-F117 HydrophobicContact CE-CG 4.25Å; M110-F117 HydrophobicContact CE-CZ 3.5Å; M110-F117 VanDerWaalsContact CE-CZ 3.5Å; M110-F117 HydrophobicContact SD-CD1 4.4Å; M110-F117 HydrophobicContact SD-CD2 4.06Å; M110-F117 HydrophobicContact SD-CE1 3.78Å; M110-F117 HydrophobicContact SD-CE2 3.42Å; M110-F117 WeakPolarHBondContact SD-CE2 3.48Å; M110-F117 HydrophobicContact SD-CZ 3.22Å; M110-F117 WeakPolarHBondContact SD-CZ 3.27Å
111	D	93.8	Very high	93.9	Very high	100 Å²	100	71.6 Å²	71.6	54%	0.535	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.5	-35.3	-178.7	-168.5	52.5	0	0	0	110.9	D109 F113 G114 V116	D109-D111 PolarHBondContact O-N 3.35Å; D109-D111 VanDerWaalsContact OD1-CB 3.31Å; D109-D111 WeakPolarHBondContact OD1-CB 3.48Å; D109-D111 PolarHBondContact OD1-N 2.94Å; D111-F113 PolarHBondContact O-N 3.44Å; D111-G114 WeakPolarHBondContact O-CA 3.24Å; D111-G114 PolarHBondContact O-N 3.35Å; D111-V116 WeakPolarHBondContact OD1-CG2 3.44Å
112	R	92.8	Very high	93.8	Very high	175 Å²	175	73.3 Å²	73.3	66%	0.66	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-52	-26.6	169.7	-174.5	178.9	63.5	165.8	-6.7	114.3	D109 M110 G114	D109-R112 WeakPolarHBondContact O-CB 3.33Å; M110-R112 VanDerWaalsContact C-N 3.3Å; M110-R112 PolarHBondContact O-N 3.33Å; R112-G114 VanDerWaalsContact C-N 3.34Å
113	F	92.6	Very high	93.7	Very high	58 Å²	58	73.8 Å²	73.8	25%	0.254	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-94	9.9	177.4	-62.2	-80.2	0	0	0	113.3	M110 D111 V115 L198 L202 Q205	M110-F113 PolarHBondContact O-N 3.19Å; D111-F113 PolarHBondContact O-N 3.44Å; F113-V115 VanDerWaalsContact C-N 3.34Å; F113-V115 HydrophobicContact CB-CG2 3.92Å; F113-L198 HydrophobicContact CD2-CD1 3.79Å; F113-L198 HydrophobicContact CE2-CD1 3.85Å; F113-L198 HydrophobicContact CE2-CD2 3.9Å; F113-L198 HydrophobicContact CE2-CG 4.36Å; F113-L198 HydrophobicContact CZ-CD2 4.44Å; F113-L202 HydrophobicContact CD1-CD2 3.95Å; F113-L202 HydrophobicContact CE1-CD2 4.11Å; F113-Q205 PolarHBondContact O-NE2 3.28Å
114	G	91.1	Very high	93.7	Very high	22 Å²	22	73.8 Å²	73.8	23%	0.227	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	30.3	-174.4	0	0	0	0	0	112.9	S84 S85 L86 D111 R112	S84-G114 WeakPolarHBondContact O-CA 3.4Å; S85-G114 WeakPolarHBondContact CA-O 3.41Å; L86-G114 PolarHBondContact N-O 3.07Å; D111-G114 WeakPolarHBondContact O-CA 3.24Å; D111-G114 PolarHBondContact O-N 3.35Å; R112-G114 VanDerWaalsContact C-N 3.34Å
115	V	93.3	Very high	93.8	Very high	6 Å²	6	73.5 Å²	73.5	4%	0.036	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-111	99.9	-175.5	-162.8	0	0	0	0	110.6	L86 P88 M110 F113	L86-V115 HydrophobicContact CB-CG1 4.38Å; L86-V115 HydrophobicContact CB-CG2 4.44Å; L86-V115 VanDerWaalsContact O-CA 3.27Å; L86-V115 WeakPolarHBondContact O-CA 3.16Å; L86-V115 WeakPolarHBondContact O-CG1 3.46Å; P88-V115 VanDerWaalsContact CD-CG1 3.45Å; P88-V115 HydrophobicContact CG-CG1 3.54Å; M110-V115 HydrophobicContact CB-CB 4.3Å; M110-V115 HydrophobicContact CE-CB 3.83Å; M110-V115 HydrophobicContact CE-CG1 3.38Å; M110-V115 VanDerWaalsContact CE-O 3.25Å; M110-V115 WeakPolarHBondContact CE-O 3.39Å; M110-V115 WeakPolarHBondContact O-CB 3.37Å; M110-V115 PolarHBondContact O-N 2.83Å; F113-V115 VanDerWaalsContact C-N 3.34Å; F113-V115 HydrophobicContact CB-CG2 3.92Å
116	V	92.7	Very high	93.8	Very high	60 Å²	60	72.1 Å²	72.1	36%	0.364	36%	0.356	S	S	.	.			trans	-109.2	128.4	-172.9	-174.4	0	0	0	0	110.7	L86 W87 P88 D111 R118	L86-V116 PolarHBondContact O-N 3.03Å; W87-V116 WeakPolarHBondContact CA-O 3.45Å; P88-V116 VanDerWaalsContact CD-O 3.31Å; P88-V116 WeakPolarHBondContact CD-O 3.31Å; D111-V116 WeakPolarHBondContact OD1-CG2 3.44Å; V116-R118 PolarHBondContact O-N 3.22Å
117	F	92	Very high	93.9	Very high	66 Å²	66	65.9 Å²	65.9	29%	0.289	32%	0.315	S	S	.	.			trans	-70.7	128.1	175.1	-72.3	-41.2	0	0	0	112.6	P88 T90 M100 M103 A104 M110 I128	P88-F117 HydrophobicContact CB-CD1 4.24Å; P88-F117 HydrophobicContact CB-CE1 4.36Å; P88-F117 HydrophobicContact CG-CD1 3.71Å; P88-F117 HydrophobicContact CG-CE1 3.89Å; P88-F117 WeakPolarHBondContact O-CA 2.94Å; T90-F117 HydrophobicContact CG2-CB 4.42Å; T90-F117 HydrophobicContact CG2-CD1 3.06Å; T90-F117 HydrophobicContact CG2-CD2 4.28Å; T90-F117 HydrophobicContact CG2-CE1 3.16Å; T90-F117 HydrophobicContact CG2-CE2 4.3Å; T90-F117 HydrophobicContact CG2-CG 3.71Å; T90-F117 HydrophobicContact CG2-CZ 3.82Å; M100-F117 HydrophobicContact CG-CE1 4.2Å; M100-F117 HydrophobicContact CG-CE2 4.32Å; M100-F117 HydrophobicContact CG-CZ 3.53Å; M100-F117 HydrophobicContact SD-CE1 3.91Å; M100-F117 HydrophobicContact SD-CZ 3.73Å; M103-F117 HydrophobicContact CE-CZ 4.24Å; A104-F117 HydrophobicContact CB-CD2 4.21Å; A104-F117 HydrophobicContact CB-CE2 3.65Å; M110-F117 HydrophobicContact CE-CD1 3.77Å; M110-F117 HydrophobicContact CE-CD2 4.39Å; M110-F117 HydrophobicContact CE-CE1 3.34Å; M110-F117 HydrophobicContact CE-CE2 4.06Å; M110-F117 HydrophobicContact CE-CG 4.25Å; M110-F117 HydrophobicContact CE-CZ 3.5Å; M110-F117 VanDerWaalsContact CE-CZ 3.5Å; M110-F117 HydrophobicContact SD-CD1 4.4Å; M110-F117 HydrophobicContact SD-CD2 4.06Å; M110-F117 HydrophobicContact SD-CE1 3.78Å; M110-F117 HydrophobicContact SD-CE2 3.42Å; M110-F117 WeakPolarHBondContact SD-CE2 3.48Å; M110-F117 HydrophobicContact SD-CZ 3.22Å; M110-F117 WeakPolarHBondContact SD-CZ 3.27Å; F117-I128 HydrophobicContact CE1-CD1 4.32Å
118	R	92.6	Very high	94	Very high	107 Å²	107	56.2 Å²	56.2	40%	0.404	28%	0.279	S	S	.	.			trans	-121.5	123.3	178	-160.5	71.6	-162.7	122	4.6	111.5	P88 M89 V116 Q123	P88-R118 PolarHBondContact O-N 3.42Å; M89-R118 WeakPolarHBondContact CA-O 3.41Å; M89-R118 WeakPolarHBondContact CB-O 3.38Å; V116-R118 PolarHBondContact O-N 3.22Å; R118-Q123 HydrophobicContact CG-CB 4.09Å; R118-Q123 VanDerWaalsContact NH2-OE1 3.1Å
119	A	89.3	Confident	94.1	Very high	96 Å²	96	53.8 Å²	53.8	79%	0.793	27%	0.27	S	S	*	.	S	Bend	trans	-70.7	-31.7	179.5	0	0	0	0	0	113.7
120	S	93.8	Very high	94.3	Very high	35 Å²	35	50.9 Å²	50.9	25%	0.245	25%	0.254	C	S	.	.			trans	-88.4	120.4	-178.3	56.1	0	0	0	0	111.6	R122 Q123	S120-R122 VanDerWaalsContact C-N 3.27Å; S120-R122 PolarHBondContact O-N 3.01Å; S120-Q123 PolarHBondContact O-N 3.4Å; S120-Q123 PolarHBondContact OG-OE1 3.49Å; S120-Q123 VanDerWaalsContact OG-OE1 3.1Å
121	P	94.9	Very high	94.4	Very high	25 Å²	25	50.6 Å²	50.6	16%	0.162	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-70.5	-22.3	-174.6	29.4	-37.7	0	0	0	114.5	M89 Q123 A124 V144	M89-P121 VanDerWaalsContact CE-CA 3.48Å; M89-P121 HydrophobicContact CE-CB 3.37Å; P121-Q123 PolarHBondContact O-N 2.96Å; P121-A124 PolarHBondContact O-N 3.07Å; P121-V144 HydrophobicContact CB-CG1 3.48Å; P121-V144 VanDerWaalsContact CB-CG1 3.48Å; P121-V144 HydrophobicContact CG-CG1 3.87Å
122	R	95.3	Very high	94.6	Very high	172 Å²	172	47 Å²	47	65%	0.649	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-68.3	-9.1	177.2	-58.4	-179.4	-178.5	-80.5	3.5	113.9	S120	S120-R122 VanDerWaalsContact C-N 3.27Å; S120-R122 PolarHBondContact O-N 3.01Å
123	Q	94.6	Very high	94.9	Very high	97 Å²	97	38.6 Å²	38.6	45%	0.453	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-122.4	10.2	-178.2	-63.1	179.5	-15.6	0	0	111.7	R118 S120 P121	R118-Q123 HydrophobicContact CG-CB 4.09Å; R118-Q123 VanDerWaalsContact NH2-OE1 3.1Å; S120-Q123 PolarHBondContact O-N 3.4Å; S120-Q123 PolarHBondContact OG-OE1 3.49Å; S120-Q123 VanDerWaalsContact OG-OE1 3.1Å; P121-Q123 PolarHBondContact O-N 2.96Å
124	A	95.5	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.			trans	-115.5	134.2	-173.1	0	0	0	0	0	111.1	W87 M89 P121 M148	W87-A124 CarbonylContact O-C 3.58Å; W87-A124 VanDerWaalsContact O-CA 3.23Å; W87-A124 WeakPolarHBondContact O-CA 3.14Å; W87-A124 VanDerWaalsContact O-CB 3.3Å; W87-A124 WeakPolarHBondContact O-CB 3.42Å; M89-A124 HydrophobicContact CB-CB 3.94Å; M89-A124 HydrophobicContact CE-CB 3.74Å; M89-A124 HydrophobicContact SD-CB 4.08Å; P121-A124 PolarHBondContact O-N 3.07Å; A124-M148 VanDerWaalsContact O-CE 3.28Å; A124-M148 WeakPolarHBondContact O-CE 3.37Å
125	D	95.7	Very high	95.5	Very high	39 Å²	39	41.4 Å²	41.4	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	-92.7	-21.7	-179.2	-46.7	-69.2	0	0	0	112.4	W87 R152 Y153	W87-D125 PolarHBondContact N-OD2 3.12Å; W87-D125 PolarHBondContact O-N 3.37Å; D125-R152 CarbonylContact O-C 3.51Å; D125-R152 VanDerWaalsContact O-CA 3.31Å; D125-R152 WeakPolarHBondContact O-CA 3.48Å; D125-Y153 PolarHBondContact O-N 2.9Å
126	V	96.6	Very high	95.7	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.5	-175.1	-173.6	0	0	0	0	110.3	L86 W87 P88 M89 I128 Y153 I155 L204	L86-V126 HydrophobicContact CB-CG2 4.32Å; L86-V126 HydrophobicContact CD2-CG2 3.93Å; W87-V126 PolarHBondContact O-N 2.82Å; P88-V126 CarbonylContact C-O 3.51Å; P88-V126 WeakPolarHBondContact CA-O 3.37Å; P88-V126 HydrophobicContact CB-CB 4.13Å; M89-V126 PolarHBondContact N-O 2.81Å; V126-I128 HydrophobicContact CG1-CG1 4.27Å; V126-Y153 CarbonylContact C-O 3.55Å; V126-Y153 WeakPolarHBondContact CA-O 3.38Å; V126-Y153 HydrophobicContact CG2-CD2 4.4Å; V126-I155 HydrophobicContact CG1-CD1 3.92Å; V126-I155 HydrophobicContact CG1-CG1 3.9Å; V126-L204 HydrophobicContact CG1-CD2 3.85Å; V126-L204 HydrophobicContact CG2-CD2 3.84Å
127	M	97.3	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.2	170.4	-169.3	170.8	65.2	0	0	110.3	M89 F91 V129 L141 Y145 M148 Y153 V154 I155 V181	M89-M127 HydrophobicContact CG-CG 4.17Å; M89-M127 WeakPolarHBondContact SD-CA 3.42Å; M89-M127 HydrophobicContact SD-CB 3.42Å; M89-M127 WeakPolarHBondContact SD-CB 3.2Å; M89-M127 HydrophobicContact SD-CG 3.59Å; M89-M127 VanDerWaalsContact SD-CG 3.59Å; M89-M127 HydrophobicContact SD-SD 4.43Å; F91-M127 HydrophobicContact CD2-CG 3.87Å; F91-M127 HydrophobicContact CD2-SD 3.83Å; F91-M127 HydrophobicContact CE2-CG 4.38Å; F91-M127 HydrophobicContact CE2-SD 3.83Å; M127-V129 HydrophobicContact CE-CG2 3.86Å; M127-V129 HydrophobicContact CG-CG2 4.2Å; M127-L141 HydrophobicContact CE-CD1 3.91Å; M127-L141 HydrophobicContact CE-CG 4.31Å; M127-L141 HydrophobicContact SD-CD1 3.76Å; M127-Y145 HydrophobicContact CE-CD2 3.73Å; M127-Y145 HydrophobicContact CE-CG 4.24Å; M127-Y145 HydrophobicContact SD-CD2 4.46Å; M127-M148 HydrophobicContact CB-CE 4.23Å; M127-M148 HydrophobicContact CB-SD 3.98Å; M127-Y153 PolarHBondContact N-O 3.16Å; M127-V154 HydrophobicContact CB-CG2 4.4Å; M127-V154 HydrophobicContact CE-CG1 4.05Å; M127-V154 HydrophobicContact CE-CG2 4.04Å; M127-V154 WeakPolarHBondContact O-CA 3.42Å; M127-I155 PolarHBondContact O-N 2.85Å; M127-V181 HydrophobicContact CE-CB 4.19Å; M127-V181 HydrophobicContact CE-CG1 4.08Å; M127-V181 HydrophobicContact CE-CG2 3.78Å
128	I	97.3	Very high	96.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.3	174	-51.2	-177.6	0	0	0	108.8	P88 M89 F91 M100 F117 V126 A130 I155 M157 L197	P88-I128 HydrophobicContact CB-CD1 3.64Å; P88-I128 HydrophobicContact CB-CG1 3.84Å; P88-I128 HydrophobicContact CG-CD1 4.17Å; M89-I128 PolarHBondContact O-N 3.19Å; F91-I128 WeakPolarHBondContact CB-O 3.28Å; F91-I128 PolarHBondContact N-O 3.1Å; M100-I128 HydrophobicContact CE-CB 4.1Å; M100-I128 HydrophobicContact CE-CG2 3.63Å; F117-I128 HydrophobicContact CE1-CD1 4.32Å; V126-I128 HydrophobicContact CG1-CG1 4.27Å; I128-A130 PolarHBondContact O-N 2.93Å; I128-I155 WeakPolarHBondContact CA-O 3.25Å; I128-I155 HydrophobicContact CG1-CB 4.36Å; I128-I155 HydrophobicContact CG1-CD1 4.43Å; I128-M157 HydrophobicContact CG2-CB 4.13Å; I128-M157 HydrophobicContact CG2-SD 4.41Å; I128-L197 HydrophobicContact CG2-CD1 4.36Å
129	V	97.9	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	100.6	177.1	-173.6	0	0	0	0	108.8	L93 M127 L141 V154 I155 M157 A161 C177	L93-V129 HydrophobicContact CD1-CG1 4.41Å; M127-V129 HydrophobicContact CE-CG2 3.86Å; M127-V129 HydrophobicContact CG-CG2 4.2Å; V129-L141 HydrophobicContact CG2-CD1 4.04Å; V129-L141 HydrophobicContact CG2-CD2 4.48Å; V129-V154 HydrophobicContact CG2-CG1 4.14Å; V129-I155 PolarHBondContact N-O 3.27Å; V129-M157 PolarHBondContact O-N 2.92Å; V129-A161 HydrophobicContact CG1-CB 4.22Å; V129-A161 WeakPolarHBondContact O-CB 3.37Å; V129-C177 HydrophobicContact CG1-CB 4.08Å
130	A	97.1	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	92.2	-171.2	0	0	0	0	0	112.7	F91 L93 A94 C96 M100 I128 M157	F91-A130 CarbonylContact O-C 3.49Å; F91-A130 WeakPolarHBondContact O-CA 3.45Å; F91-A130 PolarHBondContact O-N 3.31Å; L93-A130 PolarHBondContact N-O 3.17Å; A94-A130 PolarHBondContact N-O 2.86Å; C96-A130 HydrophobicContact CB-CB 3.92Å; M100-A130 HydrophobicContact CE-CB 3.1Å; I128-A130 PolarHBondContact O-N 2.93Å; A130-M157 HydrophobicContact CB-CB 4.1Å; A130-M157 HydrophobicContact CB-CG 4.22Å; A130-M157 HydrophobicContact CB-SD 3.53Å; A130-M157 VanDerWaalsContact CB-SD 3.53Å
131	G	97	Very high	97	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	127.6	-164	175	0	0	0	0	0	113.3	L133 A161	G131-L133 PolarHBondContact O-N 3.25Å; G131-A161 PolarHBondContact O-N 2.91Å
132	T	97.9	Very high	97.2	Very high	23 Å²	23	45.9 Å²	45.9	14%	0.141	23%	0.226	C	C	.	.			trans	-78.4	119.5	-174	-50.6	0	0	0	0	111.3	T134 C160 Y167 V173	T132-T134 PolarHBondContact O-N 2.98Å; T132-C160 HydrophobicContact CG2-CB 4.33Å; T132-C160 WeakPolarHBondContact OG1-CB 3.43Å; T132-Y167 HydrophobicContact CG2-CD2 3.94Å; T132-V173 HydrophobicContact CG2-CB 4.19Å; T132-V173 HydrophobicContact CG2-CG1 3.51Å; T132-V173 HydrophobicContact CG2-CG2 3.54Å
133	L	98	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.			trans	-82.2	112.3	172.2	-173.6	62.5	0	0	0	110.1	L93 G131 M137 L141 V174 C177 I180	L93-L133 HydrophobicContact CD1-CD1 4.14Å; G131-L133 PolarHBondContact O-N 3.25Å; L133-M137 HydrophobicContact CD1-CB 4.2Å; L133-M137 HydrophobicContact CD1-CG 4.3Å; L133-L141 HydrophobicContact CD1-CB 4.13Å; L133-L141 HydrophobicContact CD1-CD2 3.83Å; L133-L141 HydrophobicContact CD2-CD2 3.63Å; L133-L141 HydrophobicContact CG-CD2 4.39Å; L133-V174 HydrophobicContact CB-CB 4.4Å; L133-V174 HydrophobicContact CD2-CB 4.18Å; L133-V174 HydrophobicContact CD2-CG1 4.47Å; L133-V174 HydrophobicContact CD2-CG2 4.17Å; L133-V174 HydrophobicContact CG-CB 4.25Å; L133-V174 HydrophobicContact CG-CG2 4.04Å; L133-V174 PolarHBondContact O-N 2.93Å; L133-C177 HydrophobicContact CD2-CB 4.04Å; L133-I180 HydrophobicContact CD2-CB 4.47Å; L133-I180 HydrophobicContact CD2-CG1 3.87Å
134	T	98	Very high	97.4	Very high	55 Å²	55	41.3 Å²	41.3	34%	0.337	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-85.9	154.2	175.6	62	0	0	0	0	111.7	T132 K136 M137 A138 A172	T132-T134 PolarHBondContact O-N 2.98Å; T134-K136 PolarHBondContact O-N 3.41Å; T134-M137 PolarHBondContact O-N 3.02Å; T134-M137 WeakPolarHBondContact OG1-CB 3.47Å; T134-M137 PolarHBondContact OG1-N 3.1Å; T134-A138 PolarHBondContact O-N 3.45Å; T134-A172 CarbonylContact C-O 3.59Å; T134-A172 VanDerWaalsContact CA-O 3.24Å; T134-A172 WeakPolarHBondContact CA-O 3.3Å; T134-A172 WeakPolarHBondContact CB-O 3.41Å
135	N	97.9	Very high	97.5	Very high	83 Å²	83	42 Å²	42	44%	0.444	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.4	179.7	-65.8	-15.7	0	0	0	112.1	M137 Y171 A172 V174	N135-M137 VanDerWaalsContact C-N 3.34Å; N135-Y171 PolarHBondContact ND2-O 3.06Å; N135-A172 PolarHBondContact N-O 3.38Å; N135-V174 WeakPolarHBondContact OD1-CG2 3.36Å; N135-V174 PolarHBondContact OD1-N 3.3Å
136	K	98.1	Very high	97.6	Very high	194 Å²	194	44.4 Å²	44.4	84%	0.843	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.9	175.5	-170.1	174.5	-178.7	178.9	0	112.9	T134	T134-K136 PolarHBondContact O-N 3.41Å
137	M	98.1	Very high	97.6	Very high	63 Å²	63	47.2 Å²	47.2	31%	0.31	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-22.8	-179.3	-164.9	63.9	-168.7	0	0	113.3	F91 L93 L133 T134 N135 A140 L141	F91-M137 HydrophobicContact CD1-CE 4.38Å; F91-M137 HydrophobicContact CE1-CE 3.75Å; L93-M137 HydrophobicContact CD2-CE 4.28Å; L93-M137 HydrophobicContact CD2-CG 4.03Å; L133-M137 HydrophobicContact CD1-CB 4.2Å; L133-M137 HydrophobicContact CD1-CG 4.3Å; T134-M137 PolarHBondContact O-N 3.02Å; T134-M137 WeakPolarHBondContact OG1-CB 3.47Å; T134-M137 PolarHBondContact OG1-N 3.1Å; N135-M137 VanDerWaalsContact C-N 3.34Å; M137-A140 HydrophobicContact CE-CB 3.91Å; M137-A140 WeakPolarHBondContact O-CB 3.45Å; M137-A140 PolarHBondContact O-N 3.23Å; M137-A140 HydrophobicContact SD-CB 3.98Å; M137-L141 PolarHBondContact O-N 2.88Å
138	A	97.5	Very high	97.6	Very high	10 Å²	10	47.7 Å²	47.7	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-46.7	-49.9	178	0	0	0	0	0	115.3	T134 A140 L141 R142 V174 I180	T134-A138 PolarHBondContact O-N 3.45Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A138-A140 PolarHBondContact O-N 2.87Å; A138-L141 PolarHBondContact O-N 3.35Å; A138-R142 PolarHBondContact O-N 3.2Å; A138-R142 VanDerWaalsContact O-N 3.07Å; A138-V174 HydrophobicContact CB-CG2 4.04Å; A138-I180 HydrophobicContact CB-CD1 3.96Å; A138-I180 HydrophobicContact CB-CG1 4.17Å
139	P	97.9	Very high	97.6	Very high	87 Å²	87	50.1 Å²	50.1	57%	0.565	26%	0.259	S	S	*	.	H	α-helix	trans	-67	-30.3	178.1	26.4	-35.4	0	0	0	113.2	K143	P139-K143 WeakPolarHBondContact O-CB 3.13Å; P139-K143 PolarHBondContact O-N 2.65Å
140	A	97.6	Very high	97.4	Very high	39 Å²	39	57.2 Å²	57.2	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-71.2	-41.6	176.2	0	0	0	0	0	111.7	M137 A138 R142 K143 V144	M137-A140 HydrophobicContact CE-CB 3.91Å; M137-A140 WeakPolarHBondContact O-CB 3.45Å; M137-A140 PolarHBondContact O-N 3.23Å; M137-A140 HydrophobicContact SD-CB 3.98Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A138-A140 PolarHBondContact O-N 2.87Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 2.97Å; A140-K143 PolarHBondContact O-N 3.43Å; A140-V144 WeakPolarHBondContact O-CG2 3.38Å; A140-V144 PolarHBondContact O-N 3.02Å; A140-V144 VanDerWaalsContact O-N 3.1Å
141	L	97.6	Very high	97.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-48.7	172.3	-177.6	73.2	0	0	0	110.7	F91 M127 V129 L133 M137 A138 K143 V144 Y145 C177 I180 V181	F91-L141 HydrophobicContact CD1-CD1 3.78Å; F91-L141 HydrophobicContact CD2-CD1 3.85Å; F91-L141 HydrophobicContact CE1-CD1 3.84Å; F91-L141 HydrophobicContact CE2-CD1 3.9Å; F91-L141 HydrophobicContact CG-CD1 3.77Å; F91-L141 HydrophobicContact CZ-CD1 3.89Å; M127-L141 HydrophobicContact CE-CD1 3.91Å; M127-L141 HydrophobicContact CE-CG 4.31Å; M127-L141 HydrophobicContact SD-CD1 3.76Å; V129-L141 HydrophobicContact CG2-CD1 4.04Å; V129-L141 HydrophobicContact CG2-CD2 4.48Å; L133-L141 HydrophobicContact CD1-CB 4.13Å; L133-L141 HydrophobicContact CD1-CD2 3.83Å; L133-L141 HydrophobicContact CD2-CD2 3.63Å; L133-L141 HydrophobicContact CG-CD2 4.39Å; M137-L141 PolarHBondContact O-N 2.88Å; A138-L141 PolarHBondContact O-N 3.35Å; L141-K143 PolarHBondContact O-N 2.8Å; L141-V144 PolarHBondContact O-N 3.07Å; L141-Y145 PolarHBondContact O-N 3.22Å; L141-C177 HydrophobicContact CD2-CB 4.42Å; L141-I180 HydrophobicContact CD2-CG2 4.45Å; L141-V181 HydrophobicContact CD2-CG2 4.09Å; L141-V181 HydrophobicContact CG-CG1 4.5Å
142	R	97.9	Very high	97.2	Very high	96 Å²	96	62 Å²	62	36%	0.362	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-48.9	178.9	-174.1	67	-145.9	-163.4	0.4	111.7	A138 A140 V144 Y145 D146 I180	A138-R142 PolarHBondContact O-N 3.2Å; A138-R142 VanDerWaalsContact O-N 3.07Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 2.97Å; R142-V144 PolarHBondContact O-N 3.38Å; R142-Y145 PolarHBondContact O-N 3.3Å; R142-Y145 VanDerWaalsContact O-N 3.16Å; R142-D146 WeakPolarHBondContact CG-OD2 3.27Å; R142-D146 IonicContact CZ-OD1 3.83Å; R142-D146 VanDerWaalsContact CZ-OD1 3.25Å; R142-D146 IonicContact CZ-OD2 3.85Å; R142-D146 VanDerWaalsContact NE-CG 3.34Å; R142-D146 IonicContact NE-OD1 2.75Å; R142-D146 PolarHBondContact NE-OD1 2.91Å; R142-D146 VanDerWaalsContact NE-OD1 3.11Å; R142-D146 IonicContact NE-OD2 2.7Å; R142-D146 PolarHBondContact NE-OD2 2.87Å; R142-D146 IonicContact NH2-OD1 3.56Å; R142-D146 PolarHBondContact NH2-OD1 3.07Å; R142-D146 IonicContact NH2-OD2 2.65Å; R142-D146 PolarHBondContact O-N 3.02Å; R142-I180 HydrophobicContact CB-CG2 3.82Å; R142-I180 VanDerWaalsContact CD-O 3.24Å; R142-I180 WeakPolarHBondContact CD-O 3.26Å; R142-I180 PolarHBondContact NH1-O 2.73Å
143	K	97.7	Very high	97.2	Very high	140 Å²	140	61.4 Å²	61.4	61%	0.609	31%	0.309	S	S	*	.	H	α-helix	trans	-58.7	-33.4	178.6	-177.4	175	-178.6	177.5	0	113.2	P139 A140 L141 Q147	P139-K143 WeakPolarHBondContact O-CB 3.13Å; P139-K143 PolarHBondContact O-N 2.65Å; A140-K143 PolarHBondContact O-N 3.43Å; L141-K143 PolarHBondContact O-N 2.8Å; K143-Q147 VanDerWaalsContact O-CG 3.27Å; K143-Q147 WeakPolarHBondContact O-CG 3.28Å
144	V	97.2	Very high	97.2	Very high	34 Å²	34	61.4 Å²	61.4	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-78.3	-40	176.9	176.1	0	0	0	0	111.6	M89 F91 P121 A140 L141 R142 D146 Q147	M89-V144 HydrophobicContact CE-CG1 4.34Å; F91-V144 HydrophobicContact CE2-CB 3.86Å; F91-V144 HydrophobicContact CE2-CG1 3.58Å; F91-V144 HydrophobicContact CE2-CG2 4.4Å; F91-V144 HydrophobicContact CZ-CB 3.71Å; F91-V144 HydrophobicContact CZ-CG1 3.89Å; F91-V144 HydrophobicContact CZ-CG2 3.85Å; P121-V144 HydrophobicContact CB-CG1 3.48Å; P121-V144 VanDerWaalsContact CB-CG1 3.48Å; P121-V144 HydrophobicContact CG-CG1 3.87Å; A140-V144 WeakPolarHBondContact O-CG2 3.38Å; A140-V144 PolarHBondContact O-N 3.02Å; A140-V144 VanDerWaalsContact O-N 3.1Å; L141-V144 PolarHBondContact O-N 3.07Å; R142-V144 PolarHBondContact O-N 3.38Å; V144-D146 VanDerWaalsContact C-N 3.33Å; V144-D146 PolarHBondContact O-N 3.04Å; V144-Q147 PolarHBondContact O-N 3.47Å; V144-Q147 VanDerWaalsContact O-N 3.1Å
145	Y	97.6	Very high	97.2	Very high	13 Å²	13	58.9 Å²	58.9	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-42.3	173.7	179.1	-101	0	0	0	112.4	M127 L141 R142 Q147 M148 R152 V154 V181 P182	M127-Y145 HydrophobicContact CE-CD2 3.73Å; M127-Y145 HydrophobicContact CE-CG 4.24Å; M127-Y145 HydrophobicContact SD-CD2 4.46Å; L141-Y145 PolarHBondContact O-N 3.22Å; R142-Y145 PolarHBondContact O-N 3.3Å; R142-Y145 VanDerWaalsContact O-N 3.16Å; Y145-Q147 PolarHBondContact O-N 3.4Å; Y145-M148 HydrophobicContact CD2-SD 3.88Å; Y145-M148 HydrophobicContact CE2-SD 4.45Å; Y145-M148 WeakPolarHBondContact O-CB 3.41Å; Y145-M148 WeakPolarHBondContact O-CG 3.34Å; Y145-M148 PolarHBondContact O-N 3.3Å; Y145-M148 VanDerWaalsContact O-N 3.13Å; Y145-R152 HydrophobicContact CE2-CG 4.04Å; Y145-R152 PolarHBondContact OH-NE 3Å; Y145-R152 VanDerWaalsContact OH-NE 3.08Å; Y145-V154 HydrophobicContact CD2-CG2 3.86Å; Y145-V154 HydrophobicContact CE2-CG2 3.41Å; Y145-V154 VanDerWaalsContact CE2-CG2 3.41Å; Y145-V181 HydrophobicContact CD1-CB 4.4Å; Y145-V181 HydrophobicContact CD1-CG1 3.84Å; Y145-V181 HydrophobicContact CD2-CB 4.35Å; Y145-V181 HydrophobicContact CD2-CG1 4.17Å; Y145-V181 HydrophobicContact CG-CB 4.21Å; Y145-V181 HydrophobicContact CG-CG1 3.6Å; Y145-P182 HydrophobicContact CE1-CG 4.37Å; Y145-P182 WeakPolarHBondContact OH-CG 3.47Å
146	D	96.9	Very high	97.2	Very high	90 Å²	90	54.9 Å²	54.9	48%	0.481	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.4	177.1	-66.6	-35.1	0	0	0	113.7	R142 V144	R142-D146 WeakPolarHBondContact CG-OD2 3.27Å; R142-D146 IonicContact CZ-OD1 3.83Å; R142-D146 VanDerWaalsContact CZ-OD1 3.25Å; R142-D146 IonicContact CZ-OD2 3.85Å; R142-D146 VanDerWaalsContact NE-CG 3.34Å; R142-D146 IonicContact NE-OD1 2.75Å; R142-D146 PolarHBondContact NE-OD1 2.91Å; R142-D146 VanDerWaalsContact NE-OD1 3.11Å; R142-D146 IonicContact NE-OD2 2.7Å; R142-D146 PolarHBondContact NE-OD2 2.87Å; R142-D146 IonicContact NH2-OD1 3.56Å; R142-D146 PolarHBondContact NH2-OD1 3.07Å; R142-D146 IonicContact NH2-OD2 2.65Å; R142-D146 PolarHBondContact O-N 3.02Å; V144-D146 VanDerWaalsContact C-N 3.33Å; V144-D146 PolarHBondContact O-N 3.04Å
147	Q	97	Very high	97.2	Very high	62 Å²	62	45.7 Å²	45.7	29%	0.29	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.3	172.9	-73.5	175	21.6	0	0	113.7	K143 V144 Y145	K143-Q147 VanDerWaalsContact O-CG 3.27Å; K143-Q147 WeakPolarHBondContact O-CG 3.28Å; V144-Q147 PolarHBondContact O-N 3.47Å; V144-Q147 VanDerWaalsContact O-N 3.1Å; Y145-Q147 PolarHBondContact O-N 3.4Å
148	M	97.5	Very high	97.2	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.049	22%	0.218	C	C	.	.	S	Bend	trans	-77.5	138.6	177.5	-62.6	179.6	71.1	0	0	111.3	M89 A124 M127 Y145 R152	M89-M148 HydrophobicContact CE-CE 3.62Å; M89-M148 HydrophobicContact CE-CG 3.35Å; M89-M148 HydrophobicContact CE-SD 3.41Å; M89-M148 WeakPolarHBondContact CE-SD 3.45Å; M89-M148 HydrophobicContact SD-CE 3.72Å; M89-M148 HydrophobicContact SD-SD 3.83Å; A124-M148 VanDerWaalsContact O-CE 3.28Å; A124-M148 WeakPolarHBondContact O-CE 3.37Å; M127-M148 HydrophobicContact CB-CE 4.23Å; M127-M148 HydrophobicContact CB-SD 3.98Å; Y145-M148 HydrophobicContact CD2-SD 3.88Å; Y145-M148 HydrophobicContact CE2-SD 4.45Å; Y145-M148 WeakPolarHBondContact O-CB 3.41Å; Y145-M148 WeakPolarHBondContact O-CG 3.34Å; Y145-M148 PolarHBondContact O-N 3.3Å; Y145-M148 VanDerWaalsContact O-N 3.13Å; M148-R152 HydrophobicContact CB-CB 3.94Å; M148-R152 HydrophobicContact CE-CB 3.71Å; M148-R152 HydrophobicContact SD-CB 4.14Å
149	P	96.4	Very high	97.2	Very high	52 Å²	52	43.9 Å²	43.9	34%	0.338	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-64.6	162.9	169.9	30.4	-35.2	0	0	0	111.3	R152	P149-R152 WeakPolarHBondContact O-CB 3.48Å
150	E	94.3	Very high	97.1	Very high	150 Å²	150	40.2 Å²	40.2	70%	0.701	20%	0.202	S	C	*	.	S	Bend	trans	-89.7	135.4	164.5	-67.8	-168.4	173.1	0	0	109.7	R152	E150-R152 IonicContact OE1-CZ 2.81Å; E150-R152 IonicContact OE1-NH1 3.75Å; E150-R152 PolarHBondContact OE1-NH1 3.47Å; E150-R152 IonicContact OE1-NH2 2.94Å; E150-R152 PolarHBondContact OE1-NH2 2.93Å
151	P	94.9	Very high	97.1	Very high	30 Å²	30	38.4 Å²	38.4	20%	0.195	19%	0.187	C	C	.	.	S	Bend	cis	-91.4	122.2	9.3	34.6	-31.9	0	0	0	114.1	Y153	P151-Y153 HydrophobicContact CB-CE2 4.3Å
152	R	95.9	Very high	97.1	Very high	71 Å²	71	40.2 Å²	40.2	27%	0.268	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-102.6	143.6	175.4	59.9	-172	-179.6	-82.4	-21.9	112.4	D125 Y145 M148 P149 E150	D125-R152 CarbonylContact O-C 3.51Å; D125-R152 VanDerWaalsContact O-CA 3.31Å; D125-R152 WeakPolarHBondContact O-CA 3.48Å; Y145-R152 HydrophobicContact CE2-CG 4.04Å; Y145-R152 PolarHBondContact OH-NE 3Å; Y145-R152 VanDerWaalsContact OH-NE 3.08Å; M148-R152 HydrophobicContact CB-CB 3.94Å; M148-R152 HydrophobicContact CE-CB 3.71Å; M148-R152 HydrophobicContact SD-CB 4.14Å; P149-R152 WeakPolarHBondContact O-CB 3.48Å; E150-R152 IonicContact OE1-CZ 2.81Å; E150-R152 IonicContact OE1-NH1 3.75Å; E150-R152 PolarHBondContact OE1-NH1 3.47Å; E150-R152 IonicContact OE1-NH2 2.94Å; E150-R152 PolarHBondContact OE1-NH2 2.93Å
153	Y	97.2	Very high	97	Very high	10 Å²	10	37 Å²	37	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158	174.6	-53.5	-81.9	0	0	0	111.9	D125 V126 M127 P151 D184 L204 I208 E211	D125-Y153 PolarHBondContact O-N 2.9Å; V126-Y153 CarbonylContact C-O 3.55Å; V126-Y153 WeakPolarHBondContact CA-O 3.38Å; V126-Y153 HydrophobicContact CG2-CD2 4.4Å; M127-Y153 PolarHBondContact N-O 3.16Å; P151-Y153 HydrophobicContact CB-CE2 4.3Å; Y153-D184 WeakPolarHBondContact CA-OD2 3.42Å; Y153-D184 WeakPolarHBondContact CB-OD2 3.31Å; Y153-L204 HydrophobicContact CD1-CD1 4.02Å; Y153-L204 HydrophobicContact CG-CD1 4.04Å; Y153-L204 HydrophobicContact CG-CD2 4.41Å; Y153-I208 HydrophobicContact CD2-CD1 4.05Å; Y153-I208 HydrophobicContact CE1-CD1 4.42Å; Y153-I208 HydrophobicContact CE1-CG1 4Å; Y153-I208 HydrophobicContact CE2-CD1 3.66Å; Y153-I208 HydrophobicContact CE2-CG1 4.03Å; Y153-E211 WeakPolarHBondContact CE1-OE1 3.22Å; Y153-E211 PolarHBondContact OH-OE1 2.95Å; Y153-E211 VanDerWaalsContact OH-OE1 3.1Å; Y153-E211 PolarHBondContact OH-OE2 3.37Å
154	V	98.1	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.2	178.2	-174.5	0	0	0	0	111.8	M127 V129 Y145 V181 P182 V183 D184 I185	M127-V154 HydrophobicContact CB-CG2 4.4Å; M127-V154 HydrophobicContact CE-CG1 4.05Å; M127-V154 HydrophobicContact CE-CG2 4.04Å; M127-V154 WeakPolarHBondContact O-CA 3.42Å; V129-V154 HydrophobicContact CG2-CG1 4.14Å; Y145-V154 HydrophobicContact CD2-CG2 3.86Å; Y145-V154 HydrophobicContact CE2-CG2 3.41Å; Y145-V154 VanDerWaalsContact CE2-CG2 3.41Å; V154-V181 HydrophobicContact CG1-CG2 4.21Å; V154-P182 WeakPolarHBondContact CB-O 3.33Å; V154-P182 VanDerWaalsContact CG2-O 3.28Å; V154-P182 WeakPolarHBondContact CG2-O 3.29Å; V154-V183 HydrophobicContact CG1-CG2 4.36Å; V154-D184 PolarHBondContact N-OD2 3.23Å; V154-D184 WeakPolarHBondContact O-CB 3.49Å; V154-D184 PolarHBondContact O-N 3.27Å; V154-I185 PolarHBondContact O-N 2.83Å
155	I	98	Very high	96.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.6	169.3	-56.7	179.6	0	0	0	108.1	V126 M127 I128 V129 I185 V187 L204	V126-I155 HydrophobicContact CG1-CD1 3.92Å; V126-I155 HydrophobicContact CG1-CG1 3.9Å; M127-I155 PolarHBondContact O-N 2.85Å; I128-I155 WeakPolarHBondContact CA-O 3.25Å; I128-I155 HydrophobicContact CG1-CB 4.36Å; I128-I155 HydrophobicContact CG1-CD1 4.43Å; V129-I155 PolarHBondContact N-O 3.27Å; I155-I185 WeakPolarHBondContact CA-O 3.2Å; I155-V187 HydrophobicContact CG2-CG2 3.77Å; I155-L204 HydrophobicContact CD1-CB 4.49Å; I155-L204 HydrophobicContact CD1-CD2 3.88Å; I155-L204 HydrophobicContact CG1-CD2 4.01Å
156	S	98	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.4	169.7	178.9	0	0	0	0	109.2	A161 N162 C177 I185 V187	S156-A161 VanDerWaalsContact OG-CB 3.27Å; S156-A161 WeakPolarHBondContact OG-CB 3.43Å; S156-A161 PolarHBondContact OG-O 2.93Å; S156-N162 VanDerWaalsContact CB-OD1 3.3Å; S156-N162 WeakPolarHBondContact CB-OD1 3.48Å; S156-N162 PolarHBondContact O-OD1 3.47Å; S156-N162 WeakPolarHBondContact OG-CA 3.48Å; S156-N162 PolarHBondContact OG-N 3.48Å; S156-N162 VanDerWaalsContact OG-N 3.13Å; S156-N162 PolarHBondContact OG-OD1 2.94Å; S156-C177 PolarHBondContact OG-SG 3Å; S156-I185 PolarHBondContact N-O 3.46Å; S156-V187 PolarHBondContact O-N 2.98Å
157	M	97.9	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.1	-176.6	177	-172.4	-176	0	0	111.3	C96 E99 M100 I128 V129 A130 A161 P192 L197	C96-M157 HydrophobicContact CB-CE 4.01Å; C96-M157 HydrophobicContact CB-CG 4.14Å; C96-M157 HydrophobicContact CB-SD 4.02Å; C96-M157 WeakPolarHBondContact O-CE 3.44Å; E99-M157 HydrophobicContact CB-CE 3.88Å; M100-M157 HydrophobicContact CB-CE 4.27Å; M100-M157 HydrophobicContact CB-SD 4.17Å; M100-M157 HydrophobicContact CE-SD 4.14Å; I128-M157 HydrophobicContact CG2-CB 4.13Å; I128-M157 HydrophobicContact CG2-SD 4.41Å; V129-M157 PolarHBondContact O-N 2.92Å; A130-M157 HydrophobicContact CB-CB 4.1Å; A130-M157 HydrophobicContact CB-CG 4.22Å; A130-M157 HydrophobicContact CB-SD 3.53Å; A130-M157 VanDerWaalsContact CB-SD 3.53Å; M157-A161 WeakPolarHBondContact O-CB 3.25Å; M157-P192 HydrophobicContact CE-CG 3.63Å; M157-P192 HydrophobicContact CG-CG 3.64Å; M157-L197 HydrophobicContact CB-CD1 4.14Å; M157-L197 HydrophobicContact CE-CB 4.38Å; M157-L197 HydrophobicContact CE-CD1 4.3Å; M157-L197 HydrophobicContact CE-CD2 3.69Å; M157-L197 HydrophobicContact CE-CG 4.34Å; M157-L197 HydrophobicContact CG-CD1 3.85Å; M157-L197 HydrophobicContact SD-CD1 3.73Å; M157-L197 HydrophobicContact SD-CD2 3.66Å; M157-L197 HydrophobicContact SD-CG 4.25Å
158	G	97.6	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	90.1	159.3	173.5	0	0	0	0	0	114.2	C160 A161 N162 V187 G189	G158-C160 VanDerWaalsContact C-N 3.25Å; G158-C160 PolarHBondContact O-N 3.39Å; G158-A161 PolarHBondContact O-N 2.91Å; G158-A161 VanDerWaalsContact O-N 3.11Å; G158-N162 PolarHBondContact O-N 3.39Å; G158-N162 PolarHBondContact O-ND2 3.06Å; G158-N162 PolarHBondContact O-OD1 3.09Å; G158-V187 PolarHBondContact N-O 3.22Å; G158-G189 CarbonylContact C-O 3.52Å; G158-G189 VanDerWaalsContact CA-O 3.3Å; G158-G189 WeakPolarHBondContact CA-O 3.49Å
159	S	97.2	Very high	96.8	Very high	35 Å²	35	49 Å²	49	25%	0.245	24%	0.236	C	C	.	.	H	α-helix	trans	-52.9	-40.4	-173.6	64.7	0	0	0	0	113.2	N162 G163 G165 G189 C190	S159-N162 PolarHBondContact O-N 2.97Å; S159-G163 PolarHBondContact O-N 2.85Å; S159-G165 VanDerWaalsContact C-CA 3.48Å; S159-G165 WeakPolarHBondContact O-CA 3.44Å; S159-G165 PolarHBondContact O-N 3.25Å; S159-G165 VanDerWaalsContact O-N 3.12Å; S159-G189 PolarHBondContact N-O 2.96Å; S159-C190 PolarHBondContact OG-SG 3.46Å; S159-C190 VanDerWaalsContact OG-SG 3.34Å
160	C	97.4	Very high	96.9	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-41.2	-179.5	-58.5	0	0	0	0	112.8	T132 G158 G164	T132-C160 HydrophobicContact CG2-CB 4.33Å; T132-C160 WeakPolarHBondContact OG1-CB 3.43Å; G158-C160 VanDerWaalsContact C-N 3.25Å; G158-C160 PolarHBondContact O-N 3.39Å; C160-G164 VanDerWaalsContact O-CA 3.27Å; C160-G164 WeakPolarHBondContact O-CA 3.45Å; C160-G164 PolarHBondContact O-N 2.82Å
161	A	97.3	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.5	-38.2	174.5	0	0	0	0	0	111.4	V129 G131 S156 M157 G158 G176 C177	V129-A161 HydrophobicContact CG1-CB 4.22Å; V129-A161 WeakPolarHBondContact O-CB 3.37Å; G131-A161 PolarHBondContact O-N 2.91Å; S156-A161 VanDerWaalsContact OG-CB 3.27Å; S156-A161 WeakPolarHBondContact OG-CB 3.43Å; S156-A161 PolarHBondContact OG-O 2.93Å; M157-A161 WeakPolarHBondContact O-CB 3.25Å; G158-A161 PolarHBondContact O-N 2.91Å; G158-A161 VanDerWaalsContact O-N 3.11Å; A161-G176 CarbonylContact O-C 3.49Å; A161-G176 WeakPolarHBondContact O-CA 3.36Å; A161-C177 PolarHBondContact O-N 3.05Å; A161-C177 PolarHBondContact O-SG 3.35Å
162	N	97.2	Very high	97.1	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.203	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-41.3	-176.4	-62.5	-12.9	0	0	0	112.4	S156 G158 S159 Y186 V187	S156-N162 VanDerWaalsContact CB-OD1 3.3Å; S156-N162 WeakPolarHBondContact CB-OD1 3.48Å; S156-N162 PolarHBondContact O-OD1 3.47Å; S156-N162 WeakPolarHBondContact OG-CA 3.48Å; S156-N162 PolarHBondContact OG-N 3.48Å; S156-N162 VanDerWaalsContact OG-N 3.13Å; S156-N162 PolarHBondContact OG-OD1 2.94Å; G158-N162 PolarHBondContact O-N 3.39Å; G158-N162 PolarHBondContact O-ND2 3.06Å; G158-N162 PolarHBondContact O-OD1 3.09Å; S159-N162 PolarHBondContact O-N 2.97Å; N162-Y186 HydrophobicContact CB-CD1 3.88Å; N162-Y186 HydrophobicContact CB-CE1 4.48Å; N162-V187 PolarHBondContact ND2-O 3.11Å
163	G	96.1	Very high	97.2	Very high	29 Å²	29	48.7 Å²	48.7	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-159.1	22	-172.7	0	0	0	0	0	115.5	S159 G165 H168	S159-G163 PolarHBondContact O-N 2.85Å; G163-G165 PolarHBondContact O-N 3.5Å; G163-H168 PolarHBondContact O-ND1 3.18Å
164	G	94.8	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.			trans	85.9	-21.3	-174	0	0	0	0	0	113.9	C160 Y167 H168	C160-G164 VanDerWaalsContact O-CA 3.27Å; C160-G164 WeakPolarHBondContact O-CA 3.45Å; C160-G164 PolarHBondContact O-N 2.82Å; G164-Y167 CarbonylContact O-C 3.46Å; G164-Y167 PolarHBondContact O-N 3.29Å; G164-Y167 VanDerWaalsContact O-N 3.09Å; G164-H168 PolarHBondContact O-N 3.27Å
165	G	95.9	Very high	97.1	Very high	28 Å²	28	54 Å²	54	29%	0.289	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	56.6	-134.7	167.6	0	0	0	0	0	113.3	S159 G163 Y167 H168	S159-G165 VanDerWaalsContact C-CA 3.48Å; S159-G165 WeakPolarHBondContact O-CA 3.44Å; S159-G165 PolarHBondContact O-N 3.25Å; S159-G165 VanDerWaalsContact O-N 3.12Å; G163-G165 PolarHBondContact O-N 3.5Å; G165-Y167 PolarHBondContact O-N 3.46Å; G165-Y167 VanDerWaalsContact O-N 3.16Å; G165-H168 WeakPolarHBondContact O-CB 3.44Å; G165-H168 PolarHBondContact O-N 3.38Å; G165-H168 VanDerWaalsContact O-N 3.13Å
166	Y	97.4	Very high	97	Very high	192 Å²	192	54 Å²	54	75%	0.753	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.9	177.8	-170.8	-103.3	0	0	0	112.9
167	Y	97.4	Very high	97	Very high	115 Å²	115	54 Å²	54	45%	0.451	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.7	19.1	-178.9	-55	-71.2	0	0	0	113.7	T132 G164 G165 Y169 S170	T132-Y167 HydrophobicContact CG2-CD2 3.94Å; G164-Y167 CarbonylContact O-C 3.46Å; G164-Y167 PolarHBondContact O-N 3.29Å; G164-Y167 VanDerWaalsContact O-N 3.09Å; G165-Y167 PolarHBondContact O-N 3.46Å; G165-Y167 VanDerWaalsContact O-N 3.16Å; Y167-Y169 PolarHBondContact O-N 3.43Å; Y167-Y169 VanDerWaalsContact O-N 3.11Å; Y167-S170 VanDerWaalsContact O-CB 3.23Å; Y167-S170 WeakPolarHBondContact O-CB 3.46Å; Y167-S170 PolarHBondContact O-N 2.94Å
168	H	96.6	Very high	97	Very high	62 Å²	62	58.1 Å²	58.1	29%	0.287	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.8	-176.6	-175.2	93.2	0	0	0	114.4	G163 G164 G165 R175	G163-H168 PolarHBondContact O-ND1 3.18Å; G164-H168 PolarHBondContact O-N 3.27Å; G165-H168 WeakPolarHBondContact O-CB 3.44Å; G165-H168 PolarHBondContact O-N 3.38Å; G165-H168 VanDerWaalsContact O-N 3.13Å; H168-R175 PolarHBondContact O-NE 3.4Å; H168-R175 PolarHBondContact O-NH2 2.93Å
169	Y	97.8	Very high	96.9	Very high	205 Å²	205	66.4 Å²	66.4	80%	0.804	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	3.7	178.1	-59.7	-73	0	0	0	113.9	Y167	Y167-Y169 PolarHBondContact O-N 3.43Å; Y167-Y169 VanDerWaalsContact O-N 3.11Å
170	S	97	Very high	97	Very high	35 Å²	35	66.8 Å²	66.8	25%	0.245	31%	0.307	C	S	.	.			trans	-71.3	146.8	176.1	-178.1	0	0	0	0	112.1	Y167 A172	Y167-S170 VanDerWaalsContact O-CB 3.23Å; Y167-S170 WeakPolarHBondContact O-CB 3.46Å; Y167-S170 PolarHBondContact O-N 2.94Å; S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.15Å; S170-A172 PolarHBondContact OG-N 3.39Å
171	Y	97.6	Very high	97	Very high	216 Å²	216	66.3 Å²	66.3	85%	0.847	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.4	175	68.9	-89.5	0	0	0	113.1	N135	N135-Y171 PolarHBondContact ND2-O 3.06Å
172	A	96.8	Very high	97	Very high	33 Å²	33	69.7 Å²	69.7	27%	0.273	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.7	-170.7	0	0	0	0	0	114.5	T134 N135 S170	T134-A172 CarbonylContact C-O 3.59Å; T134-A172 VanDerWaalsContact CA-O 3.24Å; T134-A172 WeakPolarHBondContact CA-O 3.3Å; T134-A172 WeakPolarHBondContact CB-O 3.41Å; N135-A172 PolarHBondContact N-O 3.38Å; S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.15Å; S170-A172 PolarHBondContact OG-N 3.39Å
173	V	98	Very high	97	Very high	12 Å²	12	69 Å²	69	7%	0.073	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-117.9	135.8	-168.8	174.6	0	0	0	0	111.6	T132	T132-V173 HydrophobicContact CG2-CB 4.19Å; T132-V173 HydrophobicContact CG2-CG1 3.51Å; T132-V173 HydrophobicContact CG2-CG2 3.54Å
174	V	97.1	Very high	97.1	Very high	13 Å²	13	69.7 Å²	69.7	8%	0.079	32%	0.319	C	S	.	.			trans	-75.6	131.7	173	-171.2	0	0	0	0	109	L133 N135 A138 G176 R179 I180	L133-V174 HydrophobicContact CB-CB 4.4Å; L133-V174 HydrophobicContact CD2-CB 4.18Å; L133-V174 HydrophobicContact CD2-CG1 4.47Å; L133-V174 HydrophobicContact CD2-CG2 4.17Å; L133-V174 HydrophobicContact CG-CB 4.25Å; L133-V174 HydrophobicContact CG-CG2 4.04Å; L133-V174 PolarHBondContact O-N 2.93Å; N135-V174 WeakPolarHBondContact OD1-CG2 3.36Å; N135-V174 PolarHBondContact OD1-N 3.3Å; A138-V174 HydrophobicContact CB-CG2 4.04Å; V174-G176 WeakPolarHBondContact CG1-O 3.34Å; V174-G176 PolarHBondContact O-N 3.46Å; V174-R179 HydrophobicContact CG1-CB 4.15Å; V174-I180 HydrophobicContact CG1-CD1 4.44Å; V174-I180 HydrophobicContact CG1-CG1 4.26Å
175	R	96.9	Very high	97.2	Very high	109 Å²	109	70.2 Å²	70.2	41%	0.411	32%	0.322	S	S	.	.	S	Bend	trans	-76	68.2	177.8	-64.9	175.8	179	97.4	10.8	111.5	H168 R179	H168-R175 PolarHBondContact O-NE 3.4Å; H168-R175 PolarHBondContact O-NH2 2.93Å; R175-R179 WeakPolarHBondContact O-CD 3.48Å; R175-R179 PolarHBondContact O-NE 3.45Å
176	G	96.1	Very high	97.3	Very high	2 Å²	2	73.6 Å²	73.6	2%	0.021	33%	0.327	C	S	.	.			trans	97.2	140.3	-178	0	0	0	0	0	113.4	A161 V174 D178 R179	A161-G176 CarbonylContact O-C 3.49Å; A161-G176 WeakPolarHBondContact O-CA 3.36Å; V174-G176 WeakPolarHBondContact CG1-O 3.34Å; V174-G176 PolarHBondContact O-N 3.46Å; G176-D178 PolarHBondContact O-N 3.39Å; G176-R179 PolarHBondContact O-N 2.87Å
177	C	96.9	Very high	97.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-69.1	-20.7	176.5	64.9	0	0	0	0	113.3	V129 L133 L141 S156 A161 R179 I180 V181 V183	V129-C177 HydrophobicContact CG1-CB 4.08Å; L133-C177 HydrophobicContact CD2-CB 4.04Å; L141-C177 HydrophobicContact CD2-CB 4.42Å; S156-C177 PolarHBondContact OG-SG 3Å; A161-C177 PolarHBondContact O-N 3.05Å; A161-C177 PolarHBondContact O-SG 3.35Å; C177-R179 PolarHBondContact O-N 3.09Å; C177-R179 VanDerWaalsContact O-N 3.1Å; C177-I180 PolarHBondContact O-N 3.47Å; C177-V181 PolarHBondContact O-N 3.38Å; C177-V183 VanDerWaalsContact SG-CG2 3.57Å
178	D	97.3	Very high	97.4	Very high	86 Å²	86	64 Å²	64	46%	0.46	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-54.3	-25.9	174.3	-163.8	57.8	0	0	0	113.8	G176 I180 V181 V183 Y186	G176-D178 PolarHBondContact O-N 3.39Å; D178-I180 PolarHBondContact O-N 2.87Å; D178-V181 VanDerWaalsContact CA-O 3.27Å; D178-V181 WeakPolarHBondContact CA-O 3.45Å; D178-V183 HydrophobicContact CB-CG2 4.08Å; D178-V183 PolarHBondContact OD1-N 3.13Å; D178-Y186 VanDerWaalsContact CB-OH 3.29Å; D178-Y186 WeakPolarHBondContact CB-OH 3.3Å; D178-Y186 PolarHBondContact OD1-OH 3.49Å
179	R	97.1	Very high	97.4	Very high	174 Å²	174	62.4 Å²	62.4	66%	0.657	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.3	-15.8	174.4	-64.6	-179.2	179.4	-97.1	-4	114.1	V174 R175 G176 C177	V174-R179 HydrophobicContact CG1-CB 4.15Å; R175-R179 WeakPolarHBondContact O-CD 3.48Å; R175-R179 PolarHBondContact O-NE 3.45Å; G176-R179 PolarHBondContact O-N 2.87Å; C177-R179 PolarHBondContact O-N 3.09Å; C177-R179 VanDerWaalsContact O-N 3.1Å
180	I	97.6	Very high	97.4	Very high	43 Å²	43	56.4 Å²	56.4	22%	0.221	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-40.3	-172.1	-50.9	-58.9	0	0	0	111	L133 A138 L141 R142 V174 C177 D178	L133-I180 HydrophobicContact CD2-CB 4.47Å; L133-I180 HydrophobicContact CD2-CG1 3.87Å; A138-I180 HydrophobicContact CB-CD1 3.96Å; A138-I180 HydrophobicContact CB-CG1 4.17Å; L141-I180 HydrophobicContact CD2-CG2 4.45Å; R142-I180 HydrophobicContact CB-CG2 3.82Å; R142-I180 VanDerWaalsContact CD-O 3.24Å; R142-I180 WeakPolarHBondContact CD-O 3.26Å; R142-I180 PolarHBondContact NH1-O 2.73Å; V174-I180 HydrophobicContact CG1-CD1 4.44Å; V174-I180 HydrophobicContact CG1-CG1 4.26Å; C177-I180 PolarHBondContact O-N 3.47Å; D178-I180 PolarHBondContact O-N 2.87Å
181	V	97.6	Very high	97.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.296	C	S	.	.	S	Bend	trans	-137.9	140.2	-178.2	-65.4	0	0	0	0	109.7	M127 L141 Y145 V154 C177 D178 V183	M127-V181 HydrophobicContact CE-CB 4.19Å; M127-V181 HydrophobicContact CE-CG1 4.08Å; M127-V181 HydrophobicContact CE-CG2 3.78Å; L141-V181 HydrophobicContact CD2-CG2 4.09Å; L141-V181 HydrophobicContact CG-CG1 4.5Å; Y145-V181 HydrophobicContact CD1-CB 4.4Å; Y145-V181 HydrophobicContact CD1-CG1 3.84Å; Y145-V181 HydrophobicContact CD2-CB 4.35Å; Y145-V181 HydrophobicContact CD2-CG1 4.17Å; Y145-V181 HydrophobicContact CG-CB 4.21Å; Y145-V181 HydrophobicContact CG-CG1 3.6Å; V154-V181 HydrophobicContact CG1-CG2 4.21Å; C177-V181 PolarHBondContact O-N 3.38Å; D178-V181 VanDerWaalsContact CA-O 3.27Å; D178-V181 WeakPolarHBondContact CA-O 3.45Å; V181-V183 PolarHBondContact O-N 2.95Å
182	P	97.5	Very high	97.3	Very high	70 Å²	70	47.3 Å²	47.3	46%	0.455	26%	0.256	S	S	.	.			trans	-68.6	128.5	179.7	29.2	-34.5	0	0	0	110.3	Y145 V154	Y145-P182 HydrophobicContact CE1-CG 4.37Å; Y145-P182 WeakPolarHBondContact OH-CG 3.47Å; V154-P182 WeakPolarHBondContact CB-O 3.33Å; V154-P182 VanDerWaalsContact CG2-O 3.28Å; V154-P182 WeakPolarHBondContact CG2-O 3.29Å
183	V	98	Very high	97.4	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	27%	0.267	C	S	.	.			trans	-95.4	131.5	-178.1	179.6	0	0	0	0	111.8	V154 C177 D178 V181 I185 Y186	V154-V183 HydrophobicContact CG1-CG2 4.36Å; C177-V183 VanDerWaalsContact SG-CG2 3.57Å; D178-V183 HydrophobicContact CB-CG2 4.08Å; D178-V183 PolarHBondContact OD1-N 3.13Å; V181-V183 PolarHBondContact O-N 2.95Å; V183-I185 WeakPolarHBondContact CG1-O 3.34Å; V183-Y186 HydrophobicContact CB-CE1 4.03Å; V183-Y186 HydrophobicContact CB-CE2 3.9Å; V183-Y186 HydrophobicContact CG1-CD1 3.96Å; V183-Y186 HydrophobicContact CG1-CD2 3.9Å; V183-Y186 HydrophobicContact CG1-CE1 3.76Å; V183-Y186 HydrophobicContact CG1-CE2 3.66Å; V183-Y186 HydrophobicContact CG1-CG 4.05Å; V183-Y186 HydrophobicContact CG2-CE1 4.19Å
184	D	97.1	Very high	97.3	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	26%	0.264	C	S	.	.	S	Bend	trans	-88.1	-38.4	178.2	-74.6	-76.1	0	0	0	114.3	Y153 V154 L204 K207	Y153-D184 WeakPolarHBondContact CA-OD2 3.42Å; Y153-D184 WeakPolarHBondContact CB-OD2 3.31Å; V154-D184 PolarHBondContact N-OD2 3.23Å; V154-D184 WeakPolarHBondContact O-CB 3.49Å; V154-D184 PolarHBondContact O-N 3.27Å; D184-L204 HydrophobicContact CB-CD1 4.23Å; D184-K207 HydrophobicContact CB-CD 4.4Å; D184-K207 PolarHBondContact O-NZ 3.39Å; D184-K207 IonicContact OD1-NZ 3.74Å; D184-K207 PolarHBondContact OD1-NZ 2.86Å
185	I	98	Very high	97.3	Very high	11 Å²	11	54 Å²	54	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133.5	-175.5	-61.4	-65.7	0	0	0	108.9	V154 I155 S156 V183 V187 Q203 L204	V154-I185 PolarHBondContact O-N 2.83Å; I155-I185 WeakPolarHBondContact CA-O 3.2Å; S156-I185 PolarHBondContact N-O 3.46Å; V183-I185 WeakPolarHBondContact CG1-O 3.34Å; I185-V187 HydrophobicContact CG2-CG2 4.41Å; I185-Q203 HydrophobicContact CD1-CB 4.47Å; I185-Q203 HydrophobicContact CD1-CG 3.91Å; I185-L204 HydrophobicContact CG1-CB 4.13Å; I185-L204 HydrophobicContact CG1-CD1 4.16Å
186	Y	98.2	Very high	97.4	Very high	98 Å²	98	50.3 Å²	50.3	38%	0.384	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.9	173.9	-66.4	-91.3	0	0	0	109.8	N162 D178 V183	N162-Y186 HydrophobicContact CB-CD1 3.88Å; N162-Y186 HydrophobicContact CB-CE1 4.48Å; D178-Y186 VanDerWaalsContact CB-OH 3.29Å; D178-Y186 WeakPolarHBondContact CB-OH 3.3Å; D178-Y186 PolarHBondContact OD1-OH 3.49Å; V183-Y186 HydrophobicContact CB-CE1 4.03Å; V183-Y186 HydrophobicContact CB-CE2 3.9Å; V183-Y186 HydrophobicContact CG1-CD1 3.96Å; V183-Y186 HydrophobicContact CG1-CD2 3.9Å; V183-Y186 HydrophobicContact CG1-CE1 3.76Å; V183-Y186 HydrophobicContact CG1-CE2 3.66Å; V183-Y186 HydrophobicContact CG1-CG 4.05Å; V183-Y186 HydrophobicContact CG2-CE1 4.19Å
187	V	98.1	Very high	97.4	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.5	175.9	-176.9	0	0	0	0	109	I155 S156 G158 N162 I185 P192 A196 L197	I155-V187 HydrophobicContact CG2-CG2 3.77Å; S156-V187 PolarHBondContact O-N 2.98Å; G158-V187 PolarHBondContact N-O 3.22Å; N162-V187 PolarHBondContact ND2-O 3.11Å; I185-V187 HydrophobicContact CG2-CG2 4.41Å; V187-P192 HydrophobicContact CG1-CB 3.79Å; V187-P192 HydrophobicContact CG1-CG 4.07Å; V187-A196 HydrophobicContact CG1-CB 4.43Å; V187-L197 HydrophobicContact CG2-CD1 4.28Å
188	P	97.5	Very high	97.3	Very high	102 Å²	102	51.2 Å²	51.2	66%	0.662	28%	0.283	S	S	*	.			trans	-79.5	138.5	-178.8	31.8	-34.2	0	0	0	112.1	P192	P188-P192 WeakPolarHBondContact O-CB 3.44Å
189	G	97.4	Very high	97.4	Very high	29 Å²	29	53.5 Å²	53.5	30%	0.299	29%	0.286	S	S	.	.			trans	154.4	171.5	175.6	0	0	0	0	0	112.4	G158 S159	G158-G189 CarbonylContact C-O 3.52Å; G158-G189 VanDerWaalsContact CA-O 3.3Å; G158-G189 WeakPolarHBondContact CA-O 3.49Å; S159-G189 PolarHBondContact N-O 2.96Å
190	C	97.1	Very high	97.3	Very high	80 Å²	80	45.3 Å²	45.3	54%	0.541	26%	0.256	S	S	.	.	S	Bend	trans	-153.9	66.4	179.3	-165.4	0	0	0	0	113.8	S159	S159-C190 PolarHBondContact OG-SG 3.46Å; S159-C190 VanDerWaalsContact OG-SG 3.34Å
191	P	96.4	Very high	97.2	Very high	57 Å²	57	43.6 Å²	43.6	37%	0.37	25%	0.248	S	C	.	.	S	Bend	cis	-77.4	160	-2.4	34	-36.4	0	0	0	112.2	E99	E99-P191 HydrophobicContact CB-CB 4.25Å; E99-P191 HydrophobicContact CG-CB 3.79Å; E99-P191 HydrophobicContact CG-CG 3.66Å
192	P	97.6	Very high	97.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.019	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-69.1	145.4	166.6	30.1	-32.3	0	0	0	109.5	E99 M157 V187 P188 A196	E99-P192 WeakPolarHBondContact CB-O 3.4Å; E99-P192 WeakPolarHBondContact CG-O 3.18Å; M157-P192 HydrophobicContact CE-CG 3.63Å; M157-P192 HydrophobicContact CG-CG 3.64Å; V187-P192 HydrophobicContact CG1-CB 3.79Å; V187-P192 HydrophobicContact CG1-CG 4.07Å; P188-P192 WeakPolarHBondContact O-CB 3.44Å; P192-A196 HydrophobicContact CB-CB 4.26Å
193	T	97.8	Very high	97.1	Very high	82 Å²	82	46.2 Å²	46.2	50%	0.503	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-61.6	150.2	172.8	57.4	0	0	0	0	110.5	E99 E195 A196 L197	E99-T193 WeakPolarHBondContact OE2-CA 3.48Å; T193-E195 PolarHBondContact O-N 2.95Å; T193-E195 VanDerWaalsContact O-N 3.13Å; T193-A196 WeakPolarHBondContact O-CA 3.41Å; T193-A196 WeakPolarHBondContact O-CB 3.4Å; T193-A196 PolarHBondContact O-N 3.25Å; T193-A196 PolarHBondContact OG1-N 2.84Å; T193-L197 PolarHBondContact O-N 2.62Å
194	A	96.5	Very high	97.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-49.4	-36.8	173	0	0	0	0	0	113.4	E99 H102 M103 Y108 L197 L198	E99-A194 PolarHBondContact OE2-N 3.16Å; H102-A194 HydrophobicContact CB-CB 4.06Å; M103-A194 HydrophobicContact CB-CB 4.18Å; Y108-A194 HydrophobicContact CD2-CB 3.44Å; Y108-A194 VanDerWaalsContact CD2-CB 3.44Å; Y108-A194 HydrophobicContact CE2-CB 3.56Å; Y108-A194 HydrophobicContact CG-CB 4.25Å; A194-L197 PolarHBondContact O-N 3.38Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 3.33Å
195	E	97.3	Very high	97	Very high	114 Å²	114	44 Å²	44	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-41.3	173.6	-64.9	179.9	-178.2	0	0	113.1	Y108 T193 L198 Y199	Y108-E195 HydrophobicContact CD1-CG 3.96Å; Y108-E195 HydrophobicContact CE1-CG 3.3Å; Y108-E195 WeakPolarHBondContact CE1-OE1 3.35Å; Y108-E195 PolarHBondContact OH-OE1 2.92Å; T193-E195 PolarHBondContact O-N 2.95Å; T193-E195 VanDerWaalsContact O-N 3.13Å; E195-L198 PolarHBondContact O-N 2.77Å; E195-Y199 WeakPolarHBondContact O-CB 3.41Å; E195-Y199 PolarHBondContact O-N 3.17Å
196	A	97.6	Very high	97	Very high	32 Å²	32	48.7 Å²	48.7	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-68.7	-35.6	177.3	0	0	0	0	0	111.9	V187 P192 T193 G200	V187-A196 HydrophobicContact CG1-CB 4.43Å; P192-A196 HydrophobicContact CB-CB 4.26Å; T193-A196 WeakPolarHBondContact O-CA 3.41Å; T193-A196 WeakPolarHBondContact O-CB 3.4Å; T193-A196 PolarHBondContact O-N 3.25Å; T193-A196 PolarHBondContact OG1-N 2.84Å; A196-G200 PolarHBondContact O-N 3.5Å
197	L	96.6	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-43.9	172.2	-175.9	65.7	0	0	0	111.6	M100 M103 I128 M157 V187 T193 A194 Y199 G200 C201	M100-L197 HydrophobicContact CB-CD2 4.05Å; M100-L197 HydrophobicContact CG-CD2 3.94Å; M103-L197 HydrophobicContact CB-CD2 4.13Å; M103-L197 HydrophobicContact CE-CD2 3.5Å; M103-L197 VanDerWaalsContact CE-CD2 3.5Å; M103-L197 HydrophobicContact CE-CG 3.91Å; M103-L197 HydrophobicContact CG-CD2 4.45Å; M103-L197 HydrophobicContact SD-CB 3.91Å; M103-L197 HydrophobicContact SD-CD2 3.52Å; M103-L197 VanDerWaalsContact SD-CD2 3.52Å; M103-L197 HydrophobicContact SD-CG 3.48Å; M103-L197 WeakPolarHBondContact SD-CG 3.45Å; I128-L197 HydrophobicContact CG2-CD1 4.36Å; M157-L197 HydrophobicContact CB-CD1 4.14Å; M157-L197 HydrophobicContact CE-CB 4.38Å; M157-L197 HydrophobicContact CE-CD1 4.3Å; M157-L197 HydrophobicContact CE-CD2 3.69Å; M157-L197 HydrophobicContact CE-CG 4.34Å; M157-L197 HydrophobicContact CG-CD1 3.85Å; M157-L197 HydrophobicContact SD-CD1 3.73Å; M157-L197 HydrophobicContact SD-CD2 3.66Å; M157-L197 HydrophobicContact SD-CG 4.25Å; V187-L197 HydrophobicContact CG2-CD1 4.28Å; T193-L197 PolarHBondContact O-N 2.62Å; A194-L197 PolarHBondContact O-N 3.38Å; L197-Y199 VanDerWaalsContact C-N 3.33Å; L197-Y199 PolarHBondContact O-N 2.84Å; L197-G200 WeakPolarHBondContact O-CA 3.39Å; L197-G200 PolarHBondContact O-N 2.94Å; L197-G200 VanDerWaalsContact O-N 3.09Å; L197-C201 PolarHBondContact O-N 3.2Å; L197-C201 PolarHBondContact O-SG 3.15Å
198	L	96	Very high	96.8	Very high	21 Å²	21	47 Å²	47	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-42.2	176	-177.4	62	0	0	0	111.2	M103 F113 A194 E195 G200 C201 L202	M103-L198 HydrophobicContact CG-CB 4.28Å; M103-L198 HydrophobicContact SD-CB 4.06Å; M103-L198 HydrophobicContact SD-CD1 4.43Å; F113-L198 HydrophobicContact CD2-CD1 3.79Å; F113-L198 HydrophobicContact CE2-CD1 3.85Å; F113-L198 HydrophobicContact CE2-CD2 3.9Å; F113-L198 HydrophobicContact CE2-CG 4.36Å; F113-L198 HydrophobicContact CZ-CD2 4.44Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 3.33Å; E195-L198 PolarHBondContact O-N 2.77Å; L198-G200 VanDerWaalsContact C-N 3.32Å; L198-G200 PolarHBondContact O-N 2.88Å; L198-C201 WeakPolarHBondContact O-CB 3.27Å; L198-C201 PolarHBondContact O-N 2.95Å; L198-C201 VanDerWaalsContact O-N 3.15Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 2.81Å
199	Y	97.5	Very high	96.7	Very high	134 Å²	134	48 Å²	48	53%	0.525	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-41.5	171.7	179	-92.4	0	0	0	112.1	E195 L197 C201 L202 Q203	E195-Y199 WeakPolarHBondContact O-CB 3.41Å; E195-Y199 PolarHBondContact O-N 3.17Å; L197-Y199 VanDerWaalsContact C-N 3.33Å; L197-Y199 PolarHBondContact O-N 2.84Å; Y199-C201 VanDerWaalsContact C-N 3.34Å; Y199-C201 PolarHBondContact O-N 2.98Å; Y199-L202 PolarHBondContact O-N 2.86Å; Y199-Q203 WeakPolarHBondContact O-CB 3.24Å; Y199-Q203 PolarHBondContact O-N 3.04Å
200	G	96.6	Very high	96.6	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-42.2	172.6	0	0	0	0	0	113	A196 L197 L198 Q203 L204	A196-G200 PolarHBondContact O-N 3.5Å; L197-G200 WeakPolarHBondContact O-CA 3.39Å; L197-G200 PolarHBondContact O-N 2.94Å; L197-G200 VanDerWaalsContact O-N 3.09Å; L198-G200 VanDerWaalsContact C-N 3.32Å; L198-G200 PolarHBondContact O-N 2.88Å; G200-Q203 WeakPolarHBondContact O-CB 3.35Å; G200-Q203 PolarHBondContact O-N 3.08Å; G200-L204 PolarHBondContact O-N 3.32Å
201	C	95.4	Very high	96.4	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.9	-60.7	0	0	0	0	111.8	L197 L198 Y199 Q203 L204 Q205	L197-C201 PolarHBondContact O-N 3.2Å; L197-C201 PolarHBondContact O-SG 3.15Å; L198-C201 WeakPolarHBondContact O-CB 3.27Å; L198-C201 PolarHBondContact O-N 2.95Å; L198-C201 VanDerWaalsContact O-N 3.15Å; Y199-C201 VanDerWaalsContact C-N 3.34Å; Y199-C201 PolarHBondContact O-N 2.98Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.41Å; C201-L204 WeakPolarHBondContact O-CB 3.37Å; C201-L204 PolarHBondContact O-N 2.89Å; C201-L204 VanDerWaalsContact O-N 3.16Å; C201-Q205 PolarHBondContact O-N 3.25Å
202	L	95.5	Very high	96.2	Very high	48 Å²	48	55.4 Å²	55.4	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-31	173.8	-65.1	174.5	0	0	0	112.3	F113 L198 Y199 K206	F113-L202 HydrophobicContact CD1-CD2 3.95Å; F113-L202 HydrophobicContact CE1-CD2 4.11Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 2.81Å; Y199-L202 PolarHBondContact O-N 2.86Å; L202-K206 VanDerWaalsContact O-CG 3.3Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 2.86Å
203	Q	97.3	Very high	95.9	Very high	78 Å²	78	59.9 Å²	59.9	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-70.5	-37.2	173.1	-170.3	175.2	-30.2	0	0	111.8	I185 Y199 G200 C201 K206 K207	I185-Q203 HydrophobicContact CD1-CB 4.47Å; I185-Q203 HydrophobicContact CD1-CG 3.91Å; Y199-Q203 WeakPolarHBondContact O-CB 3.24Å; Y199-Q203 PolarHBondContact O-N 3.04Å; G200-Q203 WeakPolarHBondContact O-CB 3.35Å; G200-Q203 PolarHBondContact O-N 3.08Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.41Å; Q203-K206 WeakPolarHBondContact O-CB 3.27Å; Q203-K206 PolarHBondContact O-N 3Å; Q203-K207 PolarHBondContact O-N 3.04Å
204	L	96.8	Very high	95.6	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-45.5	170.5	-176.6	62.4	0	0	0	111.3	V126 Y153 I155 D184 I185 G200 C201 K206 K207 I208	V126-L204 HydrophobicContact CG1-CD2 3.85Å; V126-L204 HydrophobicContact CG2-CD2 3.84Å; Y153-L204 HydrophobicContact CD1-CD1 4.02Å; Y153-L204 HydrophobicContact CG-CD1 4.04Å; Y153-L204 HydrophobicContact CG-CD2 4.41Å; I155-L204 HydrophobicContact CD1-CB 4.49Å; I155-L204 HydrophobicContact CD1-CD2 3.88Å; I155-L204 HydrophobicContact CG1-CD2 4.01Å; D184-L204 HydrophobicContact CB-CD1 4.23Å; I185-L204 HydrophobicContact CG1-CB 4.13Å; I185-L204 HydrophobicContact CG1-CD1 4.16Å; G200-L204 PolarHBondContact O-N 3.32Å; C201-L204 WeakPolarHBondContact O-CB 3.37Å; C201-L204 PolarHBondContact O-N 2.89Å; C201-L204 VanDerWaalsContact O-N 3.16Å; L204-K206 PolarHBondContact O-N 2.95Å; L204-K207 HydrophobicContact CD1-CB 4.5Å; L204-K207 HydrophobicContact CD1-CD 4.34Å; L204-K207 WeakPolarHBondContact O-CA 3.29Å; L204-K207 VanDerWaalsContact O-CB 3.26Å; L204-K207 WeakPolarHBondContact O-CB 3.49Å; L204-K207 PolarHBondContact O-N 3.47Å; L204-I208 HydrophobicContact CD1-CD1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.08Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.35Å
205	Q	96.1	Very high	95.3	Very high	21 Å²	21	59.2 Å²	59.2	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-37.8	173.5	-70.1	-178.5	-2.8	0	0	112.4	R83 L86 F113 C201 K209	R83-Q205 HydrophobicContact CB-CB 4.12Å; R83-Q205 HydrophobicContact CB-CG 4.18Å; R83-Q205 PolarHBondContact O-NE2 2.87Å; L86-Q205 HydrophobicContact CD1-CG 3.58Å; F113-Q205 PolarHBondContact O-NE2 3.28Å; C201-Q205 PolarHBondContact O-N 3.25Å; Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 PolarHBondContact O-N 3.13Å
206	K	96.9	Very high	95.1	Very high	108 Å²	108	59.4 Å²	59.4	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-69.4	-29.1	172.9	-71	166.7	-174	170.8	0	113	L202 Q203 L204 R210	L202-K206 VanDerWaalsContact O-CG 3.3Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 2.86Å; Q203-K206 WeakPolarHBondContact O-CB 3.27Å; Q203-K206 PolarHBondContact O-N 3Å; L204-K206 PolarHBondContact O-N 2.95Å; K206-R210 WeakPolarHBondContact O-CG 3.48Å; K206-R210 VanDerWaalsContact O-CZ 3.31Å; K206-R210 PolarHBondContact O-NE 3.09Å
207	K	96.4	Very high	94.8	Very high	66 Å²	66	66.7 Å²	66.7	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-67.4	-52.8	171.8	-168.7	-179.2	-174.3	176.5	0	110	D184 Q203 L204 K209 R210	D184-K207 HydrophobicContact CB-CD 4.4Å; D184-K207 PolarHBondContact O-NZ 3.39Å; D184-K207 IonicContact OD1-NZ 3.74Å; D184-K207 PolarHBondContact OD1-NZ 2.86Å; Q203-K207 PolarHBondContact O-N 3.04Å; L204-K207 HydrophobicContact CD1-CB 4.5Å; L204-K207 HydrophobicContact CD1-CD 4.34Å; L204-K207 WeakPolarHBondContact O-CA 3.29Å; L204-K207 VanDerWaalsContact O-CB 3.26Å; L204-K207 WeakPolarHBondContact O-CB 3.49Å; L204-K207 PolarHBondContact O-N 3.47Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 2.86Å; K207-R210 PolarHBondContact O-N 3.36Å
208	I	96.3	Very high	94.5	Very high	0 Å²	0	71 Å²	71	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-43.3	179.3	-63.8	171.5	0	0	0	111.4	R82 R83 L86 Y153 L204 R210 E211	R82-I208 HydrophobicContact CB-CG2 3.92Å; R83-I208 HydrophobicContact CB-CB 4.39Å; R83-I208 HydrophobicContact CB-CG2 4.14Å; L86-I208 HydrophobicContact CD1-CD1 4.45Å; L86-I208 HydrophobicContact CD2-CD1 3.6Å; Y153-I208 HydrophobicContact CD2-CD1 4.05Å; Y153-I208 HydrophobicContact CE1-CD1 4.42Å; Y153-I208 HydrophobicContact CE1-CG1 4Å; Y153-I208 HydrophobicContact CE2-CD1 3.66Å; Y153-I208 HydrophobicContact CE2-CG1 4.03Å; L204-I208 HydrophobicContact CD1-CD1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.08Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.35Å; I208-R210 PolarHBondContact O-N 3.05Å; I208-E211 WeakPolarHBondContact O-CB 3.33Å; I208-E211 PolarHBondContact O-N 2.9Å
209	K	95.6	Very high	94.1	Very high	124 Å²	124	78.8 Å²	78.8	54%	0.539	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.1	176	-174.7	173.6	177.4	-176.7	0	114	Q205 K207	Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 PolarHBondContact O-N 3.13Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 2.86Å
210	R	94.7	Very high	93.5	Very high	173 Å²	173	83.8 Å²	83.8	65%	0.653	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.8	-178.9	-65.7	-179.6	-61.7	-130.5	-0.7	113.8	K206 K207 I208	K206-R210 WeakPolarHBondContact O-CG 3.48Å; K206-R210 VanDerWaalsContact O-CZ 3.31Å; K206-R210 PolarHBondContact O-NE 3.09Å; K207-R210 PolarHBondContact O-N 3.36Å; I208-R210 PolarHBondContact O-N 3.05Å
211	E	93.8	Very high	93.4	Very high	37 Å²	37	87.9 Å²	87.9	17%	0.173	38%	0.381	C	S	.	.			trans	-66.4	149	174.7	-66	-169.4	-179.7	0	0	111.2	N79 Y153 I208 K213	N79-E211 PolarHBondContact ND2-O 3.37Å; Y153-E211 WeakPolarHBondContact CE1-OE1 3.22Å; Y153-E211 PolarHBondContact OH-OE1 2.95Å; Y153-E211 VanDerWaalsContact OH-OE1 3.1Å; Y153-E211 PolarHBondContact OH-OE2 3.37Å; I208-E211 WeakPolarHBondContact O-CB 3.33Å; I208-E211 PolarHBondContact O-N 2.9Å; E211-K213 IonicContact OE1-NZ 3.74Å; E211-K213 WeakPolarHBondContact OE2-CE 3.43Å; E211-K213 IonicContact OE2-NZ 2.87Å; E211-K213 PolarHBondContact OE2-NZ 3.34Å
212	K	92.6	Very high	93.3	Very high	111 Å²	111	92.1 Å²	92.1	48%	0.483	40%	0.399	S	S	.	.			trans	-137.3	50.5	-177.6	-66.9	-168.7	177.3	-171.4	0	110.8	D75 I214 S215 I216	D75-K212 WeakPolarHBondContact OD2-CA 3.05Å; K212-I214 PolarHBondContact O-N 3.03Å; K212-S215 PolarHBondContact O-N 2.87Å; K212-I216 HydrophobicContact CB-CD1 4.47Å; K212-I216 WeakPolarHBondContact O-CB 3.45Å; K212-I216 WeakPolarHBondContact O-CD1 3.23Å; K212-I216 WeakPolarHBondContact O-CG1 3.33Å; K212-I216 PolarHBondContact O-N 3.02Å
213	K	91.3	Very high	93.2	Very high	96 Å²	96	94.6 Å²	94.6	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-41	-169.7	-78.2	173.8	171.9	151.6	0	111.2	D75 E211 W217	D75-K213 PolarHBondContact OD1-N 3.16Å; D75-K213 VanDerWaalsContact OD1-N 3.12Å; E211-K213 IonicContact OE1-NZ 3.74Å; E211-K213 WeakPolarHBondContact OE2-CE 3.43Å; E211-K213 IonicContact OE2-NZ 2.87Å; E211-K213 PolarHBondContact OE2-NZ 3.34Å; K213-W217 WeakPolarHBondContact O-CB 3.33Å; K213-W217 PolarHBondContact O-N 3.25Å
214	I	91.6	Very high	92.9	Very high	49 Å²	49	95.5 Å²	95.5	25%	0.251	41%	0.409	S	S	.	.	H	α-helix	trans	-74.6	-41	179.9	-48.3	175.3	0	0	0	110.2	V71 L74 D75 V78 K212 I216 W217 F218	V71-I214 HydrophobicContact CG1-CB 4.26Å; V71-I214 HydrophobicContact CG1-CG2 3.89Å; L74-I214 HydrophobicContact CB-CD1 3.88Å; D75-I214 WeakPolarHBondContact OD1-CB 3.48Å; D75-I214 WeakPolarHBondContact OD1-CG1 3.38Å; D75-I214 PolarHBondContact OD1-N 3.12Å; V78-I214 HydrophobicContact CG2-CD1 4.17Å; K212-I214 PolarHBondContact O-N 3.03Å; I214-I216 VanDerWaalsContact C-N 3.33Å; I214-I216 PolarHBondContact O-N 2.81Å; I214-W217 PolarHBondContact O-N 2.93Å; I214-F218 WeakPolarHBondContact O-CB 3.38Å; I214-F218 PolarHBondContact O-N 3.11Å
215	S	89.7	Confident	92.7	Very high	20 Å²	20	101.4 Å²	101.4	14%	0.14	44%	0.435	C	S	.	.	H	α-helix	trans	-63.6	-35.1	175.7	-54	0	0	0	0	113.5	D75 K212 R219	D75-S215 VanDerWaalsContact OD2-CB 3.28Å; D75-S215 WeakPolarHBondContact OD2-CB 3.44Å; D75-S215 PolarHBondContact OD2-N 3.26Å; D75-S215 PolarHBondContact OD2-OG 3.13Å; K212-S215 PolarHBondContact O-N 2.87Å; S215-R219 WeakPolarHBondContact O-CD 3.3Å; S215-R219 VanDerWaalsContact O-CG 3.26Å; S215-R219 WeakPolarHBondContact O-CG 3.44Å; S215-R219 PolarHBondContact O-N 3.08Å
216	I	91.9	Very high	92.4	Very high	118 Å²	118	106.8 Å²	106.8	61%	0.605	46%	0.457	S	S	*	.	H	α-helix	trans	-72.4	-41.9	175.1	-70.3	165.3	0	0	0	110.2	K212 I214 R219 K220	K212-I216 HydrophobicContact CB-CD1 4.47Å; K212-I216 WeakPolarHBondContact O-CB 3.45Å; K212-I216 WeakPolarHBondContact O-CD1 3.23Å; K212-I216 WeakPolarHBondContact O-CG1 3.33Å; K212-I216 PolarHBondContact O-N 3.02Å; I214-I216 VanDerWaalsContact C-N 3.33Å; I214-I216 PolarHBondContact O-N 2.81Å; I216-R219 PolarHBondContact O-N 2.75Å; I216-K220 PolarHBondContact O-N 3.07Å
217	W	92.6	Very high	92.1	Very high	185 Å²	185	106.7 Å²	106.7	70%	0.701	46%	0.456	S	S	*	.	H	α-helix	trans	-62	-43.9	175.9	173.8	83.5	0	0	0	112.5	K213 I214 R219 K220	K213-W217 WeakPolarHBondContact O-CB 3.33Å; K213-W217 PolarHBondContact O-N 3.25Å; I214-W217 PolarHBondContact O-N 2.93Å; W217-R219 PolarHBondContact O-N 2.79Å; W217-K220 PolarHBondContact O-N 3.09Å
218	F	90.2	Very high	91.8	Very high	90 Å²	90	109.8 Å²	109.8	40%	0.395	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.1	178.9	179	-107.4	0	0	0	114	A67 V71 I214	A67-F218 HydrophobicContact CB-CE1 4.18Å; A67-F218 HydrophobicContact CB-CZ 3.73Å; V71-F218 HydrophobicContact CG1-CB 4.13Å; V71-F218 HydrophobicContact CG2-CB 4.3Å; V71-F218 HydrophobicContact CG2-CD1 4.16Å; V71-F218 HydrophobicContact CG2-CD2 4.2Å; V71-F218 HydrophobicContact CG2-CG 3.94Å; I214-F218 WeakPolarHBondContact O-CB 3.38Å; I214-F218 PolarHBondContact O-N 3.11Å
219	R	86.9	Confident	91.4	Very high	185 Å²	185	119 Å²	119	70%	0.698	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	3.5	180	-70.1	175.1	177	-156.3	-6.3	113.5	D68 S215 I216 W217	D68-R219 IonicContact OD1-CZ 3.37Å; D68-R219 IonicContact OD1-NE 3.68Å; D68-R219 IonicContact OD1-NH2 2.91Å; D68-R219 PolarHBondContact OD1-NH2 3.26Å; S215-R219 WeakPolarHBondContact O-CD 3.3Å; S215-R219 VanDerWaalsContact O-CG 3.26Å; S215-R219 WeakPolarHBondContact O-CG 3.44Å; S215-R219 PolarHBondContact O-N 3.08Å; I216-R219 PolarHBondContact O-N 2.75Å; W217-R219 PolarHBondContact O-N 2.79Å
220	K	86.3	Confident	91	Very high	240 Å²	240	118.5 Å²	118.5	100%	1.043	51%	0.505	S	S	*	.			trans	-104.1	0	-177.5	-176.1	-177.7	176.2	-173.4	0	110.7	I216 W217	I216-K220 PolarHBondContact O-N 3.07Å; W217-K220 PolarHBondContact O-N 3.09Å

Retrieved 220 of 220 residues in 512 ms (Link to these results)

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