A0A087XFX7_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

AlphaFold DB , UniProt , Accession A0A087XFX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 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	40.3	Very low	42.4	Very low	230 Å²	230	156.6 Å²	156.6	100%	1.133	80%	0.801	S	S	*	*				0	109.7	0	-71	167.9	175.2	0	0	106.5
2	L	40.8	Very low	42	Very low	152 Å²	152	154.7 Å²	154.7	80%	0.796	79%	0.786	S	S	*	*				77.2	94.9	81.9	-76.1	167.1	0	0	0	112.3
3	I	42.9	Very low	41.7	Very low	135 Å²	135	155.5 Å²	155.5	69%	0.692	78%	0.781	S	S	*	*			trans	9.2	139.6	140.7	19.7	172.1	0	0	0	118
4	H	51.5	Low	41.5	Very low	196 Å²	196	157.6 Å²	157.6	91%	0.907	79%	0.787	S	S	*	*				-146	134.7	116.5	-105.8	81.5	0	0	0	111.5
5	N	36.5	Very low	41.1	Very low	121 Å²	121	150.6 Å²	150.6	65%	0.647	77%	0.771	S	S	*	*			trans	-111	131.6	-178.5	-177.2	-13.1	0	0	0	108.4
6	K	51.9	Low	41	Very low	209 Å²	209	153.6 Å²	153.6	91%	0.909	78%	0.78	S	S	*	*			trans	-108.9	126.1	175.6	-79	-165.2	174	-173.7	0	110.8
7	R	42.2	Very low	41	Very low	216 Å²	216	158 Å²	158	82%	0.815	79%	0.785	S	S	*	*			trans	-117.1	167.4	174.7	-72	-176.4	174.4	179.4	-1.8	110.8
8	N	34.5	Very low	41.1	Very low	139 Å²	139	162.4 Å²	162.4	74%	0.743	79%	0.791	S	S	*	*			trans	73.7	159.3	159.6	-96.9	23.5	0	0	0	117.9
9	P	51.3	Low	41	Very low	110 Å²	110	159.2 Å²	159.2	71%	0.714	79%	0.793	S	S	*	*			cis	-125.1	156.5	5.2	38.6	-23.8	0	0	0	117.8
10	M	36.1	Very low	40.8	Very low	142 Å²	142	155.3 Å²	155.3	70%	0.7	80%	0.795	S	S	*	*			trans	11.9	139.1	140.9	-52.9	-64.8	-74.4	0	0	120.7
11	G	38.8	Very low	41	Very low	73 Å²	73	157.5 Å²	157.5	75%	0.753	80%	0.802	S	S	*	*			trans	-149.2	138.5	160.1	0	0	0	0	0	111.6
12	E	37	Very low	41.1	Very low	133 Å²	133	154.2 Å²	154.2	62%	0.621	78%	0.784	S	S	*	*			trans	-156.8	157.7	-170.8	-68.6	-165.2	114.6	0	0	111.7
13	K	38.3	Very low	41.3	Very low	165 Å²	165	155.2 Å²	155.2	72%	0.717	79%	0.79	S	S	*	*			cis	-102.3	-125.2	-19	-86.4	108.7	178.3	147.5	0	108.2
14	E	38.6	Very low	41.1	Very low	185 Å²	185	157.1 Å²	157.1	86%	0.864	79%	0.793	S	S	*	*			cis	-148.8	169.4	-2.6	-92.2	-143.7	115.2	0	0	107.5
15	G	35.9	Very low	40.6	Very low	53 Å²	53	153.7 Å²	153.7	55%	0.546	79%	0.786	S	S	.	*			cis	133.3	63.5	7.3	0	0	0	0	0	111.5
16	H	39.3	Very low	40.7	Very low	198 Å²	198	154 Å²	154	92%	0.917	79%	0.792	S	S	*	*			trans	-135.4	164.1	-178.3	-100.7	52.6	0	0	0	113.3
17	R	40.8	Very low	39.9	Very low	229 Å²	229	149.2 Å²	149.2	86%	0.864	78%	0.784	S	S	*	*			trans	-126.8	154.4	-158.1	-60.8	177.2	178.6	160.3	-1	114.6
18	R	42.5	Very low	40	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	78%	0.783	S	S	*	*			trans	60.9	106.4	152.6	-70.6	175	-180	-174.3	-0.5	119.3
19	A	39.2	Very low	40.3	Very low	101 Å²	101	146.4 Å²	146.4	84%	0.835	78%	0.779	S	S	*	*				-167.7	148.5	114	0	0	0	0	0	107.6
20	G	38.3	Very low	40	Very low	81 Å²	81	148.8 Å²	148.8	84%	0.835	79%	0.785	S	S	*	*			cis	100.7	57.5	15	0	0	0	0	0	111
21	Q	45.1	Very low	40.5	Very low	202 Å²	202	149.2 Å²	149.2	94%	0.944	78%	0.783	S	S	*	*			trans	-120	150.7	179.5	-111.8	178.9	-6.3	0	0	111.7
22	E	42.4	Very low	40.5	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.752	78%	0.782	S	S	*	*			trans	-117.7	131	-150	-174.6	179.7	-160	0	0	111.1	K24	E22-K24 PolarHBondContact O-N 2.74Å; E22-K24 VanDerWaalsContact O-N 3.09Å
23	L	44.3	Very low	40.7	Very low	173 Å²	173	153.8 Å²	153.8	91%	0.906	79%	0.794	S	S	*	*			trans	-74.8	98.8	-179.2	-73	169.7	0	0	0	110.7	T25	L23-T25 PolarHBondContact O-N 2.73Å
24	K	38.7	Very low	40.6	Very low	175 Å²	175	151 Å²	151	76%	0.761	79%	0.79	S	S	*	*			trans	-81	94.5	176.8	-67.3	-169.6	175.7	-175.5	0	111.7	E22 T26	E22-K24 PolarHBondContact O-N 2.74Å; E22-K24 VanDerWaalsContact O-N 3.09Å; K24-T26 PolarHBondContact O-N 3.19Å
25	T	40.2	Very low	40.7	Very low	124 Å²	124	148.2 Å²	148.2	76%	0.761	79%	0.786	S	S	*	*			trans	-65.3	111.4	165.3	-56.5	0	0	0	0	109.9	L23 C27	L23-T25 PolarHBondContact O-N 2.73Å; T25-C27 PolarHBondContact O-N 3.09Å
26	T	39.3	Very low	41	Very low	127 Å²	127	153 Å²	153	78%	0.779	80%	0.804	S	S	*	*			trans	-84.7	91.8	177.1	50.2	0	0	0	0	111.2	K24	K24-T26 PolarHBondContact O-N 3.19Å
27	C	34.4	Very low	40.9	Very low	109 Å²	109	148.1 Å²	148.1	74%	0.736	79%	0.792	S	S	*	*			trans	-69.4	131.4	164.9	-61.5	0	0	0	0	110.1	T25 E29	T25-C27 PolarHBondContact O-N 3.09Å; C27-E29 PolarHBondContact O-N 3.49Å
28	I	45.7	Very low	40.4	Very low	156 Å²	156	143 Å²	143	80%	0.8	79%	0.79	S	S	*	*			trans	-94.1	93.5	172.3	-56.7	177.4	0	0	0	107.9
29	E	41.2	Very low	40.5	Very low	140 Å²	140	136.6 Å²	136.6	65%	0.654	79%	0.788	S	S	*	*			trans	-74.7	139.3	163.7	-76.1	-153.2	135.5	0	0	110	C27 K31	C27-E29 PolarHBondContact O-N 3.49Å; E29-K31 IonicContact OE1-NZ 2.74Å; E29-K31 PolarHBondContact OE1-NZ 3.24Å; E29-K31 IonicContact OE2-NZ 2.73Å; E29-K31 PolarHBondContact OE2-NZ 3.24Å
30	N	44.5	Very low	40.6	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	79%	0.788	S	S	*	*			trans	-133.9	100.4	163.5	-113.1	-11.5	0	0	0	110
31	K	45.9	Very low	41.1	Very low	151 Å²	151	141 Å²	141	66%	0.657	79%	0.788	S	S	*	*			trans	-96.8	159.8	156.8	-59.5	161.1	-174.9	134.7	0	105.3	E29	E29-K31 IonicContact OE1-NZ 2.74Å; E29-K31 PolarHBondContact OE1-NZ 3.24Å; E29-K31 IonicContact OE2-NZ 2.73Å; E29-K31 PolarHBondContact OE2-NZ 3.24Å
32	L	39	Very low	41.3	Very low	138 Å²	138	137.2 Å²	137.2	72%	0.723	78%	0.781	S	S	*	*			cis	-168.6	143.5	31.1	171.9	66.3	0	0	0	109.1
33	L	40.8	Very low	41.5	Very low	165 Å²	165	135.5 Å²	135.5	86%	0.864	79%	0.787	S	S	*	*			trans	-168.7	101.2	141.8	-127	63.1	0	0	0	107.3
34	T	37.7	Very low	41.4	Very low	105 Å²	105	135.2 Å²	135.2	64%	0.644	79%	0.785	S	S	*	*				84.2	127.3	76.1	-59.2	0	0	0	0	113
35	V	39	Very low	41.7	Very low	128 Å²	128	135.3 Å²	135.3	78%	0.776	79%	0.793	S	S	*	*			trans	-66.9	154	-166.4	-70.5	0	0	0	0	116.8
36	V	42.6	Very low	41.6	Very low	152 Å²	152	139.6 Å²	139.6	92%	0.921	80%	0.796	S	S	*	*			trans	-124.7	148.7	142.4	179.4	0	0	0	0	107.1
37	S	38.1	Very low	41.2	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	80%	0.798	S	S	*	*			trans	-127.6	164.5	-166.7	-164.6	0	0	0	0	113.5
38	C	30.5	Very low	41.7	Very low	121 Å²	121	141 Å²	141	82%	0.818	80%	0.8	S	S	*	*			trans	58.8	111.6	165	-66.5	0	0	0	0	119
39	A	43	Very low	41.8	Very low	103 Å²	103	139 Å²	139	85%	0.851	80%	0.799	S	S	*	*				-158.5	147.3	106.4	0	0	0	0	0	110.6
40	V	42.5	Very low	42.1	Very low	139 Å²	139	140.7 Å²	140.7	84%	0.842	81%	0.807	S	S	*	*			trans	-121.6	129	171.8	175.4	0	0	0	0	108.6
41	T	48.2	Very low	41.8	Very low	135 Å²	135	141.1 Å²	141.1	83%	0.828	81%	0.808	S	S	*	*			trans	-137.3	133.1	158.2	47	0	0	0	0	109.4
42	P	49.1	Very low	41.3	Very low	124 Å²	124	142.2 Å²	142.2	81%	0.805	81%	0.813	S	S	*	*			trans	-89.4	139.5	172.4	34.1	-31.3	0	0	0	110.6
43	S	46.3	Very low	41.3	Very low	125 Å²	125	140.8 Å²	140.8	87%	0.874	81%	0.81	S	S	*	*			trans	-145	136.7	155.4	-167.5	0	0	0	0	109.6
44	L	43.6	Very low	41.3	Very low	166 Å²	166	140 Å²	140	87%	0.869	80%	0.802	S	S	*	*			trans	-92.5	129.3	-176.1	-67.1	166.1	0	0	0	109.8
45	L	43.4	Very low	41.4	Very low	178 Å²	178	141.9 Å²	141.9	93%	0.932	81%	0.808	S	S	*	*			trans	-144.6	141.3	139.1	-144.5	68.1	0	0	0	111.5
46	R	39.3	Very low	41.6	Very low	214 Å²	214	141.9 Å²	141.9	81%	0.808	81%	0.808	S	S	*	*			trans	-116.6	118.2	-170.2	168.9	-169.4	175.8	-162.4	0.9	108.5
47	C	31.1	Very low	41.5	Very low	123 Å²	123	138.4 Å²	138.4	83%	0.831	80%	0.795	S	S	*	*			trans	-134.4	128.2	161	-88.8	0	0	0	0	109.2
48	N	44	Very low	41.3	Very low	143 Å²	143	139.5 Å²	139.5	77%	0.765	80%	0.798	S	S	*	*			trans	-93.9	136.1	166.7	-66.3	10	0	0	0	108
49	S	48	Very low	41.5	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	79%	0.79	S	S	*	*			trans	-149.4	138	158.9	50.4	0	0	0	0	108.5
50	E	46.8	Very low	41.4	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	78%	0.779	S	S	*	*			trans	-66.1	148.4	-161.7	-64.9	105.4	117.4	0	0	116	K52	E50-K52 PolarHBondContact O-N 3.01Å
51	L	38	Very low	41.5	Very low	168 Å²	168	137.9 Å²	137.9	88%	0.88	77%	0.77	S	S	*	*			trans	-59.4	98.9	156.3	-82.3	154.8	0	0	0	110	V53	L51-V53 PolarHBondContact O-N 3.15Å; L51-V53 VanDerWaalsContact O-N 3.15Å
52	K	36.9	Very low	41.6	Very low	174 Å²	174	140.3 Å²	140.3	76%	0.757	77%	0.774	S	S	*	*			trans	-75.5	95.2	158.2	-76.3	-167.5	174.2	-173.3	0	109.3	E50 E54	E50-K52 PolarHBondContact O-N 3.01Å; K52-E54 HydrophobicContact CB-CG 4.34Å; K52-E54 PolarHBondContact O-N 3.04Å
53	V	38.3	Very low	41.3	Very low	107 Å²	107	136.8 Å²	136.8	65%	0.648	76%	0.76	S	S	*	*			trans	-74.6	84.3	164.5	-176.1	0	0	0	0	107.6	L51 N55	L51-V53 PolarHBondContact O-N 3.15Å; L51-V53 VanDerWaalsContact O-N 3.15Å; V53-N55 PolarHBondContact O-N 3Å
54	E	40.1	Very low	41.7	Very low	150 Å²	150	134.7 Å²	134.7	70%	0.701	74%	0.739	S	S	*	*			trans	-72.4	98.2	170.5	-67.4	-169.8	174.6	0	0	108.3	K52 V56	K52-E54 HydrophobicContact CB-CG 4.34Å; K52-E54 PolarHBondContact O-N 3.04Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 2.85Å
55	N	40.3	Very low	42.2	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	72%	0.721	S	S	*	*			trans	-62.6	91.1	173.1	-75.1	-32.8	0	0	0	109.2	V53 A57	V53-N55 PolarHBondContact O-N 3Å; N55-A57 VanDerWaalsContact C-N 3.27Å; N55-A57 PolarHBondContact O-N 2.83Å
56	V	44.4	Very low	43	Very low	128 Å²	128	131.2 Å²	131.2	78%	0.776	71%	0.713	S	S	*	*			trans	-62.7	95.3	165.4	177.9	0	0	0	0	107	E54 T58	E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 2.85Å; V56-T58 PolarHBondContact O-N 3.38Å; V56-T58 VanDerWaalsContact O-N 3.07Å
57	A	39.4	Very low	44.9	Very low	79 Å²	79	127.3 Å²	127.3	65%	0.653	71%	0.708	S	S	*	*			trans	-61.4	112.4	171.1	0	0	0	0	0	107.6	N55 T59	N55-A57 VanDerWaalsContact C-N 3.27Å; N55-A57 PolarHBondContact O-N 2.83Å; A57-T59 PolarHBondContact O-N 2.99Å
58	T	34.6	Very low	47.5	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	68%	0.679	S	S	*	*			trans	-69.6	80.7	173.7	-51.2	0	0	0	0	108.7	V56 T60	V56-T58 PolarHBondContact O-N 3.38Å; V56-T58 VanDerWaalsContact O-N 3.07Å; T58-T60 HydrophobicContact CG2-CG2 4.15Å; T58-T60 PolarHBondContact O-N 3.07Å
59	T	35	Very low	49.5	Very low	107 Å²	107	118 Å²	118	66%	0.656	65%	0.652	S	S	*	*			trans	-64.6	89.9	168.8	-58.6	0	0	0	0	107.6	A57 N61	A57-T59 PolarHBondContact O-N 2.99Å; T59-N61 PolarHBondContact O-N 3.29Å
60	T	40.9	Very low	51.3	Low	99 Å²	99	117.5 Å²	117.5	61%	0.607	65%	0.649	S	S	*	*			trans	-65.7	96.6	171.9	49.6	0	0	0	0	107.8	T58 M62	T58-T60 HydrophobicContact CG2-CG2 4.15Å; T58-T60 PolarHBondContact O-N 3.07Å; T60-M62 VanDerWaalsContact C-N 3.32Å; T60-M62 PolarHBondContact O-N 2.89Å
61	N	44.5	Very low	53.2	Low	123 Å²	123	109.4 Å²	109.4	66%	0.658	61%	0.613	S	S	*	*			trans	-63.8	92.7	175.7	-79.6	-25.6	0	0	0	109.7	T59 G63	T59-N61 PolarHBondContact O-N 3.29Å; N61-G63 PolarHBondContact O-N 2.78Å
62	M	48.8	Very low	55.7	Low	186 Å²	186	102.8 Å²	102.8	92%	0.916	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	64.5	171.3	-65.5	-173.3	-65.1	0	0	109.7	T60	T60-M62 VanDerWaalsContact C-N 3.32Å; T60-M62 PolarHBondContact O-N 2.89Å
63	G	44.4	Very low	58.4	Low	49 Å²	49	97.4 Å²	97.4	51%	0.505	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-153.5	-10.1	179.7	0	0	0	0	0	114.2	N61	N61-G63 PolarHBondContact O-N 2.78Å
64	D	53.3	Low	61	Low	81 Å²	81	95.8 Å²	95.8	43%	0.433	54%	0.538	S	S	.	.	S	Bend	trans	-76	-24.3	179	-94.7	-54.1	0	0	0	114.4	R97	D64-R97 PolarHBondContact O-NH1 3.42Å; D64-R97 PolarHBondContact O-NH2 3.21Å; D64-R97 IonicContact OD1-NH1 3.01Å; D64-R97 PolarHBondContact OD1-NH1 3.38Å
65	E	54.9	Low	63.6	Low	106 Å²	106	93 Å²	93	50%	0.495	52%	0.521	S	S	.	.	S	Bend	trans	-78.4	-23	-175.6	-53.4	-53.3	138.9	0	0	113.7	N67 K74	E65-N67 PolarHBondContact O-N 2.84Å; E65-N67 VanDerWaalsContact O-N 3.1Å; E65-K74 WeakPolarHBondContact OE1-CD 3.49Å; E65-K74 WeakPolarHBondContact OE1-CE 3.47Å; E65-K74 IonicContact OE1-NZ 3.24Å; E65-K74 PolarHBondContact OE1-NZ 3.13Å; E65-K74 VanDerWaalsContact OE2-CD 3.24Å; E65-K74 WeakPolarHBondContact OE2-CD 3.34Å
66	E	60.3	Low	66.2	Low	166 Å²	166	92.3 Å²	92.3	78%	0.776	51%	0.514	S	S	*	.	S	Bend	trans	-73.2	-11.8	-157.3	-162	166.6	-138.5	0	0	114.7
67	N	78.9	Confident	68.4	Low	131 Å²	131	87 Å²	87	70%	0.701	48%	0.483	S	S	*	.			trans	-137.9	89.9	173.9	-80	-85.9	0	0	0	111	E65 R97	E65-N67 PolarHBondContact O-N 2.84Å; E65-N67 VanDerWaalsContact O-N 3.1Å; N67-R97 PolarHBondContact O-NH2 3.33Å
68	L	86.3	Confident	70.8	Confident	40 Å²	40	95.8 Å²	95.8	21%	0.209	50%	0.499	C	S	.	.			trans	-112.8	152.7	156.4	-65.2	179.2	0	0	0	108.8	W72 K74 Y85 R97 P98	L68-W72 HydrophobicContact CB-CB 4.17Å; L68-K74 HydrophobicContact CD1-CB 4.26Å; L68-Y85 HydrophobicContact CD1-CD1 4.36Å; L68-Y85 HydrophobicContact CD2-CD1 4.14Å; L68-Y85 HydrophobicContact CD2-CE1 3.96Å; L68-R97 HydrophobicContact CD2-CG 4.21Å; L68-P98 HydrophobicContact CD2-CG 4.2Å
69	P	86.1	Confident	73.3	Confident	32 Å²	32	95.6 Å²	95.6	21%	0.208	50%	0.503	C	S	.	.			trans	-70.5	162.2	179.5	-13.7	30.2	0	0	0	111.4	G71 W72 P98	P69-G71 PolarHBondContact O-N 2.86Å; P69-W72 WeakPolarHBondContact O-CB 3.42Å; P69-W72 PolarHBondContact O-N 2.75Å; P69-P98 WeakPolarHBondContact CD-O 3.46Å; P69-P98 HydrophobicContact CG-CB 4.21Å; P69-P98 VanDerWaalsContact CG-O 3.32Å; P69-P98 WeakPolarHBondContact CG-O 3.43Å
70	S	85.4	Confident	75.9	Confident	101 Å²	101	93.2 Å²	93.2	71%	0.706	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	136.4	-180	-167.6	0	0	0	0	112.5	W72	S70-W72 VanDerWaalsContact C-N 3.28Å; S70-W72 PolarHBondContact O-N 2.83Å
71	G	87	Confident	78.3	Confident	7 Å²	7	90.6 Å²	90.6	7%	0.072	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-14.6	-176.2	0	0	0	0	0	116	P69 N87 H88	P69-G71 PolarHBondContact O-N 2.86Å; G71-N87 CarbonylContact O-C 3.57Å; G71-N87 VanDerWaalsContact O-CA 3.24Å; G71-N87 WeakPolarHBondContact O-CA 3.42Å; G71-H88 PolarHBondContact O-CE1 3.46Å; G71-H88 PolarHBondContact O-N 2.61Å; G71-H88 PolarHBondContact O-ND1 2.93Å
72	W	90.5	Very high	80.5	Confident	29 Å²	29	91.1 Å²	91.1	11%	0.11	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.6	-175.9	-69.5	91.7	0	0	0	114	L68 P69 S70 F86 N87 A92 Q94 P98	L68-W72 HydrophobicContact CB-CB 4.17Å; P69-W72 WeakPolarHBondContact O-CB 3.42Å; P69-W72 PolarHBondContact O-N 2.75Å; S70-W72 VanDerWaalsContact C-N 3.28Å; S70-W72 PolarHBondContact O-N 2.83Å; W72-F86 WeakPolarHBondContact CA-O 3.41Å; W72-N87 HydrophobicContact CD2-CB 3.74Å; W72-N87 HydrophobicContact CE3-CB 3.77Å; W72-N87 HydrophobicContact CG-CB 4.35Å; W72-N87 HydrophobicContact CH2-CB 4Å; W72-N87 HydrophobicContact CZ2-CB 3.96Å; W72-N87 HydrophobicContact CZ3-CB 3.9Å; W72-N87 PolarHBondContact NE1-ND2 3.09Å; W72-N87 VanDerWaalsContact NE1-ND2 3.11Å; W72-A92 HydrophobicContact CH2-CB 4.46Å; W72-Q94 VanDerWaalsContact CH2-CD 3.5Å; W72-Q94 HydrophobicContact CH2-CG 3.82Å; W72-Q94 HydrophobicContact CZ3-CG 3.77Å; W72-P98 HydrophobicContact CB-CG 3.91Å; W72-P98 HydrophobicContact CD2-CB 3.6Å; W72-P98 HydrophobicContact CD2-CG 3.54Å; W72-P98 HydrophobicContact CE3-CB 4.07Å; W72-P98 HydrophobicContact CE3-CG 3.76Å; W72-P98 HydrophobicContact CG-CB 3.89Å; W72-P98 HydrophobicContact CG-CG 3.63Å; W72-P98 HydrophobicContact CZ2-CB 4.13Å
73	E	92.9	Very high	82.7	Confident	60 Å²	60	85.1 Å²	85.1	28%	0.28	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.8	173.2	57.9	175.2	121.3	0	0	111.1	R75 Y85 F86 H88	E73-R75 HydrophobicContact CG-CG 4.36Å; E73-R75 IonicContact OE1-CZ 3.3Å; E73-R75 IonicContact OE1-NE 2.7Å; E73-R75 IonicContact OE1-NH2 3.07Å; E73-R75 PolarHBondContact OE1-NH2 3.47Å; E73-R75 IonicContact OE2-CZ 2.64Å; E73-R75 VanDerWaalsContact OE2-CZ 3.3Å; E73-R75 IonicContact OE2-NE 2.71Å; E73-R75 PolarHBondContact OE2-NE 2.83Å; E73-R75 IonicContact OE2-NH2 3.46Å; E73-R75 PolarHBondContact OE2-NH2 3.02Å; E73-R75 VanDerWaalsContact OE2-NH2 3.07Å; E73-Y85 WeakPolarHBondContact O-CA 3.16Å; E73-F86 HydrophobicContact CG-CB 4.16Å; E73-F86 HydrophobicContact CG-CD1 4.19Å; E73-F86 WeakPolarHBondContact CG-O 3.2Å; E73-F86 PolarHBondContact N-O 2.93Å; E73-F86 PolarHBondContact O-N 2.87Å; E73-H88 IonicContact OE1-ND1 2.73Å
74	K	93.8	Very high	85	Confident	74 Å²	74	85.2 Å²	85.2	32%	0.322	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.4	176.6	-175.8	-170.7	-176.7	176.9	0	109.3	E65 L68 V83 Y85	E65-K74 WeakPolarHBondContact OE1-CD 3.49Å; E65-K74 WeakPolarHBondContact OE1-CE 3.47Å; E65-K74 IonicContact OE1-NZ 3.24Å; E65-K74 PolarHBondContact OE1-NZ 3.13Å; E65-K74 VanDerWaalsContact OE2-CD 3.24Å; E65-K74 WeakPolarHBondContact OE2-CD 3.34Å; L68-K74 HydrophobicContact CD1-CB 4.26Å; K74-V83 HydrophobicContact CD-CG1 4.36Å; K74-V83 HydrophobicContact CG-CG1 3.61Å; K74-Y85 HydrophobicContact CB-CD1 4.29Å; K74-Y85 HydrophobicContact CB-CE1 4.16Å; K74-Y85 HydrophobicContact CG-CE1 4.09Å
75	R	94.7	Very high	87	Confident	92 Å²	92	82.8 Å²	82.8	35%	0.347	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.2	-179.2	-70.6	-171.6	176.3	176.5	5.6	111.4	E73 V83 Y84 F86	E73-R75 HydrophobicContact CG-CG 4.36Å; E73-R75 IonicContact OE1-CZ 3.3Å; E73-R75 IonicContact OE1-NE 2.7Å; E73-R75 IonicContact OE1-NH2 3.07Å; E73-R75 PolarHBondContact OE1-NH2 3.47Å; E73-R75 IonicContact OE2-CZ 2.64Å; E73-R75 VanDerWaalsContact OE2-CZ 3.3Å; E73-R75 IonicContact OE2-NE 2.71Å; E73-R75 PolarHBondContact OE2-NE 2.83Å; E73-R75 IonicContact OE2-NH2 3.46Å; E73-R75 PolarHBondContact OE2-NH2 3.02Å; E73-R75 VanDerWaalsContact OE2-NH2 3.07Å; R75-V83 CarbonylContact O-C 3.57Å; R75-V83 WeakPolarHBondContact O-CA 3.36Å; R75-Y84 HydrophobicContact CB-CD1 3.99Å; R75-Y84 HydrophobicContact CB-CE1 3.45Å; R75-Y84 VanDerWaalsContact CB-CE1 3.45Å; R75-Y84 HydrophobicContact CB-CE2 4.09Å; R75-Y84 WeakPolarHBondContact CD-OH 3.26Å; R75-Y84 PolarHBondContact N-O 2.96Å; R75-Y84 WeakPolarHBondContact O-CD1 3.42Å; R75-Y84 PolarHBondContact O-N 3.25Å; R75-Y84 VanDerWaalsContact O-O 3.08Å; R75-F86 HydrophobicContact CG-CB 4.47Å; R75-F86 VanDerWaalsContact CZ-CD1 3.42Å
76	M	94	Very high	88.8	Confident	127 Å²	127	79.2 Å²	79.2	63%	0.626	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	173.8	-173.5	176.4	-76.1	0	0	110.4	R78 G81	M76-R78 PolarHBondContact O-N 3.46Å; M76-G81 WeakPolarHBondContact CG-O 3.31Å
77	S	90.3	Very high	90.4	Very high	18 Å²	18	71.3 Å²	71.3	13%	0.126	37%	0.37	C	S	.	.			trans	-68.6	120.6	177.3	171.6	0	0	0	0	111	S79 S80 G81 K82	S77-S79 PolarHBondContact O-N 3.16Å; S77-S79 PolarHBondContact OG-OG 2.9Å; S77-S80 WeakPolarHBondContact CB-OG 3.31Å; S77-S80 PolarHBondContact O-N 2.82Å; S77-S80 PolarHBondContact OG-N 3.33Å; S77-S80 PolarHBondContact OG-OG 3.46Å; S77-G81 WeakPolarHBondContact O-CA 3.5Å; S77-G81 PolarHBondContact O-N 3.34Å; S77-K82 WeakPolarHBondContact CB-O 3.39Å; S77-K82 PolarHBondContact N-O 3.15Å
78	R	89.9	Confident	91	Very high	262 Å²	262	70.2 Å²	70.2	99%	0.989	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.3	-178.2	-57.5	-179.3	79.7	167.4	5.6	113.6	M76	M76-R78 PolarHBondContact O-N 3.46Å
79	S	87.9	Confident	91.3	Very high	118 Å²	118	70.7 Å²	70.7	83%	0.825	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-25.3	-178.3	55.1	0	0	0	0	114	S77	S77-S79 PolarHBondContact O-N 3.16Å; S77-S79 PolarHBondContact OG-OG 2.9Å
80	S	88.7	Confident	91.6	Very high	56 Å²	56	69.2 Å²	69.2	39%	0.392	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-6.8	-173.2	65.2	0	0	0	0	115	S77 K82	S77-S80 WeakPolarHBondContact CB-OG 3.31Å; S77-S80 PolarHBondContact O-N 2.82Å; S77-S80 PolarHBondContact OG-N 3.33Å; S77-S80 PolarHBondContact OG-OG 3.46Å; S80-K82 PolarHBondContact O-N 2.83Å
81	G	91.6	Very high	91.9	Very high	45 Å²	45	67 Å²	67	46%	0.464	33%	0.334	S	S	.	.			trans	66.3	-4.5	-174.9	0	0	0	0	0	114.8	M76 S77	M76-G81 WeakPolarHBondContact CG-O 3.31Å; S77-G81 WeakPolarHBondContact O-CA 3.5Å; S77-G81 PolarHBondContact O-N 3.34Å
82	K	91.2	Very high	92.2	Very high	133 Å²	133	67.2 Å²	67.2	58%	0.578	34%	0.335	S	S	*	.			trans	-73.9	141.3	-177.7	-65.4	-176.8	179.4	-176.8	0	111.1	S77 S80 W95	S77-K82 WeakPolarHBondContact CB-O 3.39Å; S77-K82 PolarHBondContact N-O 3.15Å; S80-K82 PolarHBondContact O-N 2.83Å; K82-W95 HydrophobicContact CB-CE3 4.46Å; K82-W95 HydrophobicContact CB-CZ3 3.8Å
83	V	93.7	Very high	92.3	Very high	60 Å²	60	68.4 Å²	68.4	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.2	168.1	176	0	0	0	0	109.4	K74 R75	K74-V83 HydrophobicContact CD-CG1 4.36Å; K74-V83 HydrophobicContact CG-CG1 3.61Å; R75-V83 CarbonylContact O-C 3.57Å; R75-V83 WeakPolarHBondContact O-CA 3.36Å
84	Y	93.8	Very high	92.2	Very high	52 Å²	52	68 Å²	68	20%	0.204	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	165.4	169.4	74.6	-80.4	0	0	0	109.5	R75 F86	R75-Y84 HydrophobicContact CB-CD1 3.99Å; R75-Y84 HydrophobicContact CB-CE1 3.45Å; R75-Y84 VanDerWaalsContact CB-CE1 3.45Å; R75-Y84 HydrophobicContact CB-CE2 4.09Å; R75-Y84 WeakPolarHBondContact CD-OH 3.26Å; R75-Y84 PolarHBondContact N-O 2.96Å; R75-Y84 WeakPolarHBondContact O-CD1 3.42Å; R75-Y84 PolarHBondContact O-N 3.25Å; R75-Y84 VanDerWaalsContact O-O 3.08Å; Y84-F86 HydrophobicContact CE2-CB 4.08Å
85	Y	94.2	Very high	92.1	Very high	29 Å²	29	71.4 Å²	71.4	11%	0.114	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.5	177.8	-57.8	-88.9	0	0	0	109.5	L68 E73 K74 S93 Q94 W95 E96 R97 P98	L68-Y85 HydrophobicContact CD1-CD1 4.36Å; L68-Y85 HydrophobicContact CD2-CD1 4.14Å; L68-Y85 HydrophobicContact CD2-CE1 3.96Å; E73-Y85 WeakPolarHBondContact O-CA 3.16Å; K74-Y85 HydrophobicContact CB-CD1 4.29Å; K74-Y85 HydrophobicContact CB-CE1 4.16Å; K74-Y85 HydrophobicContact CG-CE1 4.09Å; Y85-S93 WeakPolarHBondContact O-CA 3.43Å; Y85-Q94 PolarHBondContact N-O 3.27Å; Y85-Q94 PolarHBondContact O-N 3.49Å; Y85-Q94 VanDerWaalsContact O-N 3.08Å; Y85-W95 WeakPolarHBondContact CE2-O 3.48Å; Y85-E96 WeakPolarHBondContact CD2-O 3.49Å; Y85-R97 HydrophobicContact CE1-CB 4.42Å; Y85-R97 HydrophobicContact CE1-CG 4.11Å; Y85-R97 VanDerWaalsContact CE2-CA 3.45Å; Y85-R97 HydrophobicContact CE2-CB 3.96Å; Y85-P98 VanDerWaalsContact CD1-CD 3.5Å; Y85-P98 HydrophobicContact CD1-CG 4.22Å; Y85-P98 HydrophobicContact CG-CG 4.28Å
86	F	94.2	Very high	91.9	Very high	31 Å²	31	72.9 Å²	72.9	14%	0.136	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.3	178.3	179.9	-106.6	0	0	0	109	W72 E73 R75 Y84 H88 N91 A92	W72-F86 WeakPolarHBondContact CA-O 3.41Å; E73-F86 HydrophobicContact CG-CB 4.16Å; E73-F86 HydrophobicContact CG-CD1 4.19Å; E73-F86 WeakPolarHBondContact CG-O 3.2Å; E73-F86 PolarHBondContact N-O 2.93Å; E73-F86 PolarHBondContact O-N 2.87Å; R75-F86 HydrophobicContact CG-CB 4.47Å; R75-F86 VanDerWaalsContact CZ-CD1 3.42Å; Y84-F86 HydrophobicContact CE2-CB 4.08Å; F86-H88 HydrophobicContact CD1-CB 4.36Å; F86-H88 HydrophobicContact CE1-CB 3.94Å; F86-N91 HydrophobicContact CE2-CB 4.47Å; F86-N91 HydrophobicContact CZ-CB 4.37Å; F86-A92 WeakPolarHBondContact CA-O 3.34Å; F86-A92 VanDerWaalsContact CD2-O 3.27Å; F86-A92 WeakPolarHBondContact CD2-O 3.22Å
87	N	93.2	Very high	91.7	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.7	171.3	-173.4	-64	0	0	0	109.3	G71 W72 I89 T90 N91 A92	G71-N87 CarbonylContact O-C 3.57Å; G71-N87 VanDerWaalsContact O-CA 3.24Å; G71-N87 WeakPolarHBondContact O-CA 3.42Å; W72-N87 HydrophobicContact CD2-CB 3.74Å; W72-N87 HydrophobicContact CE3-CB 3.77Å; W72-N87 HydrophobicContact CG-CB 4.35Å; W72-N87 HydrophobicContact CH2-CB 4Å; W72-N87 HydrophobicContact CZ2-CB 3.96Å; W72-N87 HydrophobicContact CZ3-CB 3.9Å; W72-N87 PolarHBondContact NE1-ND2 3.09Å; W72-N87 VanDerWaalsContact NE1-ND2 3.11Å; N87-I89 VanDerWaalsContact C-N 3.27Å; N87-I89 PolarHBondContact O-N 3.48Å; N87-I89 WeakPolarHBondContact OD1-CA 3.3Å; N87-I89 WeakPolarHBondContact OD1-CB 3.5Å; N87-I89 PolarHBondContact OD1-N 3.18Å; N87-T90 WeakPolarHBondContact CB-OG1 3.16Å; N87-T90 PolarHBondContact OD1-N 2.94Å; N87-T90 PolarHBondContact OD1-OG1 3.46Å; N87-N91 CarbonylContact O-C 3.56Å; N87-N91 WeakPolarHBondContact O-CA 3.47Å; N87-N91 PolarHBondContact O-N 3.14Å; N87-A92 PolarHBondContact N-O 3.47Å
88	H	92.3	Very high	91.6	Very high	109 Å²	109	71 Å²	71	51%	0.505	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.9	-176.1	63	-108.7	0	0	0	114.3	G71 E73 F86	G71-H88 PolarHBondContact O-CE1 3.46Å; G71-H88 PolarHBondContact O-N 2.61Å; G71-H88 PolarHBondContact O-ND1 2.93Å; E73-H88 IonicContact OE1-ND1 2.73Å; F86-H88 HydrophobicContact CD1-CB 4.36Å; F86-H88 HydrophobicContact CE1-CB 3.94Å
89	I	91.4	Very high	91.3	Very high	50 Å²	50	63.4 Å²	63.4	26%	0.256	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-45.4	175.4	-49.7	177.4	0	0	0	109.7	N87 D190 A194	N87-I89 VanDerWaalsContact C-N 3.27Å; N87-I89 PolarHBondContact O-N 3.48Å; N87-I89 WeakPolarHBondContact OD1-CA 3.3Å; N87-I89 WeakPolarHBondContact OD1-CB 3.5Å; N87-I89 PolarHBondContact OD1-N 3.18Å; I89-D190 VanDerWaalsContact CG2-C 3.45Å; I89-D190 HydrophobicContact CG2-CB 3.72Å; I89-D190 VanDerWaalsContact CG2-O 3.32Å; I89-D190 WeakPolarHBondContact CG2-O 3.38Å; I89-A194 HydrophobicContact CB-CB 4.14Å; I89-A194 HydrophobicContact CD1-CB 4.33Å; I89-A194 HydrophobicContact CG2-CB 3.96Å
90	T	92.1	Very high	90.5	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.7	-179.5	71	0	0	0	0	113.5	N87 A92 A191 A194 L195 S201 G202	N87-T90 WeakPolarHBondContact CB-OG1 3.16Å; N87-T90 PolarHBondContact OD1-N 2.94Å; N87-T90 PolarHBondContact OD1-OG1 3.46Å; T90-A92 PolarHBondContact O-N 2.96Å; T90-A92 VanDerWaalsContact O-N 3.1Å; T90-A92 WeakPolarHBondContact OG1-CB 3.31Å; T90-A92 PolarHBondContact OG1-N 3.06Å; T90-A92 VanDerWaalsContact OG1-N 3.16Å; T90-A191 HydrophobicContact CG2-CB 4.49Å; T90-A191 WeakPolarHBondContact CG2-O 3.4Å; T90-A194 HydrophobicContact CG2-CB 3.72Å; T90-L195 HydrophobicContact CG2-CD2 3.89Å; T90-L195 HydrophobicContact CG2-CG 3.9Å; T90-S201 WeakPolarHBondContact O-CB 3.37Å; T90-G202 PolarHBondContact O-N 2.91Å
91	N	93.1	Very high	89.4	Confident	54 Å²	54	62.2 Å²	62.2	29%	0.289	33%	0.326	S	S	.	.			trans	53.8	16.2	-165.9	-67.9	-40.5	0	0	0	114.7	F86 N87 G202 P203	F86-N91 HydrophobicContact CE2-CB 4.47Å; F86-N91 HydrophobicContact CZ-CB 4.37Å; N87-N91 CarbonylContact O-C 3.56Å; N87-N91 WeakPolarHBondContact O-CA 3.47Å; N87-N91 PolarHBondContact O-N 3.14Å; N91-G202 WeakPolarHBondContact O-CA 3.36Å; N91-P203 PolarHBondContact ND2-O 2.87Å
92	A	92.1	Very high	88.2	Confident	12 Å²	12	64 Å²	64	10%	0.099	34%	0.344	C	S	.	.			trans	-72.5	153.5	179.4	0	0	0	0	0	112.3	W72 F86 N87 T90	W72-A92 HydrophobicContact CH2-CB 4.46Å; F86-A92 WeakPolarHBondContact CA-O 3.34Å; F86-A92 VanDerWaalsContact CD2-O 3.27Å; F86-A92 WeakPolarHBondContact CD2-O 3.22Å; N87-A92 PolarHBondContact N-O 3.47Å; T90-A92 PolarHBondContact O-N 2.96Å; T90-A92 VanDerWaalsContact O-N 3.1Å; T90-A92 WeakPolarHBondContact OG1-CB 3.31Å; T90-A92 PolarHBondContact OG1-N 3.06Å; T90-A92 VanDerWaalsContact OG1-N 3.16Å
93	S	92.6	Very high	87	Confident	53 Å²	53	67.2 Å²	67.2	37%	0.371	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.3	175.6	58.5	0	0	0	0	111.5	Y85 K151	Y85-S93 WeakPolarHBondContact O-CA 3.43Å; S93-K151 PolarHBondContact O-NZ 2.94Å
94	Q	91.4	Very high	85.9	Confident	52 Å²	52	67.8 Å²	67.8	24%	0.243	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163	-179.1	63.4	-177.5	59.7	0	0	111.1	W72 Y85 E96	W72-Q94 VanDerWaalsContact CH2-CD 3.5Å; W72-Q94 HydrophobicContact CH2-CG 3.82Å; W72-Q94 HydrophobicContact CZ3-CG 3.77Å; Y85-Q94 PolarHBondContact N-O 3.27Å; Y85-Q94 PolarHBondContact O-N 3.49Å; Y85-Q94 VanDerWaalsContact O-N 3.08Å; Q94-E96 PolarHBondContact NE2-O 3.38Å
95	W	91	Very high	85.2	Confident	145 Å²	145	71.4 Å²	71.4	55%	0.549	39%	0.389	S	S	.	.	S	Bend	trans	-93.8	-27.1	179.5	-59.9	103.7	0	0	0	112.1	K82 Y85	K82-W95 HydrophobicContact CB-CE3 4.46Å; K82-W95 HydrophobicContact CB-CZ3 3.8Å; Y85-W95 WeakPolarHBondContact CE2-O 3.48Å
96	E	91.5	Very high	85	Confident	123 Å²	123	71.9 Å²	71.9	58%	0.575	40%	0.396	S	S	*	.	S	Bend	trans	-78.6	140.7	-175.6	-60.9	64.1	-143.8	0	0	110.5	Y85 Q94 P98	Y85-E96 WeakPolarHBondContact CD2-O 3.49Å; Q94-E96 PolarHBondContact NE2-O 3.38Å; E96-P98 WeakPolarHBondContact O-CD 3.3Å
97	R	90.5	Very high	85	Confident	102 Å²	102	77.7 Å²	77.7	39%	0.385	42%	0.423	S	S	.	.			trans	-64.1	123.4	178.7	-174	175.9	178.9	144.8	7.2	109.9	D64 N67 L68 Y85 V99	D64-R97 PolarHBondContact O-NH1 3.42Å; D64-R97 PolarHBondContact O-NH2 3.21Å; D64-R97 IonicContact OD1-NH1 3.01Å; D64-R97 PolarHBondContact OD1-NH1 3.38Å; N67-R97 PolarHBondContact O-NH2 3.33Å; L68-R97 HydrophobicContact CD2-CG 4.21Å; Y85-R97 HydrophobicContact CE1-CB 4.42Å; Y85-R97 HydrophobicContact CE1-CG 4.11Å; Y85-R97 VanDerWaalsContact CE2-CA 3.45Å; Y85-R97 HydrophobicContact CE2-CB 3.96Å; R97-V99 PolarHBondContact O-N 3Å; R97-V99 VanDerWaalsContact O-N 3.14Å
98	P	87.6	Confident	85.2	Confident	4 Å²	4	82.5 Å²	82.5	3%	0.026	44%	0.444	C	S	.	.			trans	-69	113.4	178.6	28.7	-35.1	0	0	0	109.5	L68 P69 W72 Y85 E96	L68-P98 HydrophobicContact CD2-CG 4.2Å; P69-P98 WeakPolarHBondContact CD-O 3.46Å; P69-P98 HydrophobicContact CG-CB 4.21Å; P69-P98 VanDerWaalsContact CG-O 3.32Å; P69-P98 WeakPolarHBondContact CG-O 3.43Å; W72-P98 HydrophobicContact CB-CG 3.91Å; W72-P98 HydrophobicContact CD2-CB 3.6Å; W72-P98 HydrophobicContact CD2-CG 3.54Å; W72-P98 HydrophobicContact CE3-CB 4.07Å; W72-P98 HydrophobicContact CE3-CG 3.76Å; W72-P98 HydrophobicContact CG-CB 3.89Å; W72-P98 HydrophobicContact CG-CG 3.63Å; W72-P98 HydrophobicContact CZ2-CB 4.13Å; Y85-P98 VanDerWaalsContact CD1-CD 3.5Å; Y85-P98 HydrophobicContact CD1-CG 4.22Å; Y85-P98 HydrophobicContact CG-CG 4.28Å; E96-P98 WeakPolarHBondContact O-CD 3.3Å
99	V	82.9	Confident	85.4	Confident	102 Å²	102	77.4 Å²	77.4	62%	0.618	42%	0.421	S	S	*	.			trans	-75.4	141.8	169.2	-63.2	0	0	0	0	110.3	R97 K196	R97-V99 PolarHBondContact O-N 3Å; R97-V99 VanDerWaalsContact O-N 3.14Å; V99-K196 VanDerWaalsContact O-CE 3.29Å; V99-K196 WeakPolarHBondContact O-CE 2.96Å; V99-K196 PolarHBondContact O-NZ 3.17Å
100	G	70.9	Confident	85.7	Confident	53 Å²	53	80.1 Å²	80.1	55%	0.546	43%	0.428	S	S	.	.			trans	-74.9	139.3	162.4	0	0	0	0	0	108.7	G102	G100-G102 PolarHBondContact O-N 3.22Å
101	D	67.3	Low	86	Confident	97 Å²	97	80 Å²	80	52%	0.519	43%	0.427	S	S	.	.			trans	-82.4	-2.5	177.4	71.7	-19.8	0	0	0	113	R103	D101-R103 PolarHBondContact O-N 3.46Å; D101-R103 PolarHBondContact OD1-N 3.16Å
102	G	65.3	Low	86.3	Confident	82 Å²	82	77.8 Å²	77.8	85%	0.845	42%	0.416	S	S	*	.	S	Bend	trans	71.8	9.6	177.7	0	0	0	0	0	114	G100	G100-G102 PolarHBondContact O-N 3.22Å
103	R	65.4	Low	86.6	Confident	201 Å²	201	77.5 Å²	77.5	76%	0.758	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-102.3	148.3	-178.3	-62.5	168.8	-171	-164.3	-1.3	108.9	D101	D101-R103 PolarHBondContact O-N 3.46Å; D101-R103 PolarHBondContact OD1-N 3.16Å
104	G	72.2	Confident	86.9	Confident	71 Å²	71	75 Å²	75	73%	0.732	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-63.9	161.5	168.9	0	0	0	0	0	110.6
105	E	79	Confident	87.3	Confident	128 Å²	128	72.8 Å²	72.8	60%	0.598	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-52	136.9	173.4	-66.6	-165.5	154.1	0	0	110.6	R181	E105-R181 IonicContact OE1-NH2 3.62Å; E105-R181 PolarHBondContact OE1-NH2 2.97Å; E105-R181 IonicContact OE2-CZ 2.87Å; E105-R181 IonicContact OE2-NE 2.77Å; E105-R181 PolarHBondContact OE2-NE 3.22Å; E105-R181 IonicContact OE2-NH2 3.84Å; E105-R181 PolarHBondContact OE2-NH2 3.16Å
106	P	89.3	Confident	87.6	Confident	39 Å²	39	66 Å²	66	25%	0.253	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.3	179	30.6	-36.7	0	0	0	110.4	K108 V109 F193	P106-K108 VanDerWaalsContact C-N 3.28Å; P106-K108 PolarHBondContact O-N 3.25Å; P106-V109 HydrophobicContact CB-CG1 4.28Å; P106-V109 HydrophobicContact CG-CG1 3.49Å; P106-V109 VanDerWaalsContact CG-CG1 3.49Å; P106-F193 HydrophobicContact CG-CD1 4.1Å; P106-F193 HydrophobicContact CG-CE1 4.49Å; P106-F193 WeakPolarHBondContact O-CD1 3.34Å; P106-F193 WeakPolarHBondContact O-CE1 3.45Å
107	E	93.6	Very high	88	Confident	153 Å²	153	60.8 Å²	60.8	72%	0.715	34%	0.335	S	S	*	.	S	Bend	trans	-66.6	-33.9	174.6	-163.6	-145.3	134.8	0	0	111.8
108	K	96.8	Very high	88.4	Confident	102 Å²	102	56.4 Å²	56.4	44%	0.443	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.9	-178.5	-56.6	-173.3	-178.8	75.9	0	110.2	P106 V178 F179	P106-K108 VanDerWaalsContact C-N 3.28Å; P106-K108 PolarHBondContact O-N 3.25Å; K108-V178 HydrophobicContact CB-CG1 3.74Å; K108-V178 HydrophobicContact CD-CG1 4.03Å; K108-F179 CarbonylContact C-O 3.57Å; K108-F179 VanDerWaalsContact CA-O 3.24Å; K108-F179 WeakPolarHBondContact CA-O 3.04Å; K108-F179 WeakPolarHBondContact CB-O 3.33Å
109	V	97.6	Very high	88.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.6	175.9	-61	0	0	0	0	110.6	P106 V178 F179 F193 G217	P106-V109 HydrophobicContact CB-CG1 4.28Å; P106-V109 HydrophobicContact CG-CG1 3.49Å; P106-V109 VanDerWaalsContact CG-CG1 3.49Å; V109-V178 CarbonylContact O-C 3.56Å; V109-V178 VanDerWaalsContact O-CA 3.3Å; V109-V178 WeakPolarHBondContact O-CA 3.48Å; V109-F179 HydrophobicContact CG2-CD2 4.17Å; V109-F179 HydrophobicContact CG2-CE1 4.16Å; V109-F179 HydrophobicContact CG2-CE2 3.63Å; V109-F179 HydrophobicContact CG2-CZ 3.63Å; V109-F179 PolarHBondContact N-O 3.03Å; V109-F179 PolarHBondContact O-N 2.98Å; V109-F193 HydrophobicContact CG1-CD1 4.06Å; V109-F193 HydrophobicContact CG1-CD2 4.45Å; V109-F193 HydrophobicContact CG1-CE1 4.11Å; V109-F193 HydrophobicContact CG1-CG 4.23Å; V109-F193 HydrophobicContact CG1-CZ 4.32Å; V109-F193 HydrophobicContact CG2-CD2 3.99Å; V109-F193 HydrophobicContact CG2-CE2 3.7Å; V109-F193 HydrophobicContact CG2-CZ 4.02Å; V109-G217 CarbonylContact C-O 3.57Å; V109-G217 WeakPolarHBondContact CA-O 3.48Å
110	R	98.3	Very high	89.6	Confident	107 Å²	107	61.6 Å²	61.6	40%	0.404	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.5	164.7	-165.3	-172.4	-176.6	162.8	2.4	108.9	D175 G177 V178 R215 T216 G217	R110-D175 IonicContact CZ-OD1 2.65Å; R110-D175 IonicContact CZ-OD2 3.91Å; R110-D175 IonicContact NE-OD1 2.69Å; R110-D175 PolarHBondContact NE-OD1 3.42Å; R110-D175 IonicContact NE-OD2 3.11Å; R110-D175 IonicContact NH2-OD1 3.28Å; R110-D175 IonicContact NH2-OD2 3.82Å; R110-D175 PolarHBondContact NH2-OD2 3.36Å; R110-G177 WeakPolarHBondContact CA-O 3.2Å; R110-G177 WeakPolarHBondContact CG-O 3.32Å; R110-V178 HydrophobicContact CB-CG2 4.09Å; R110-V178 HydrophobicContact CG-CG2 4.27Å; R110-R215 CarbonylContact O-C 3.58Å; R110-R215 WeakPolarHBondContact O-CA 3.2Å; R110-R215 WeakPolarHBondContact O-CG 3.46Å; R110-T216 WeakPolarHBondContact CD-OG1 3.48Å; R110-T216 WeakPolarHBondContact CG-OG1 3.24Å; R110-T216 PolarHBondContact O-N 3.5Å; R110-T216 PolarHBondContact O-OG1 3.06Å; R110-G217 PolarHBondContact N-O 3.46Å; R110-G217 PolarHBondContact O-N 2.85Å
111	C	98.6	Very high	90.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.1	174.4	-53.9	0	0	0	0	112.4	L176 F179 I213 L214	C111-L176 WeakPolarHBondContact O-CB 3.33Å; C111-L176 PolarHBondContact O-N 3.2Å; C111-F179 HydrophobicContact CB-CE1 3.92Å; C111-F179 HydrophobicContact CB-CZ 4.13Å; C111-I213 HydrophobicContact CB-CG2 3.83Å; C111-L214 CarbonylContact C-O 3.54Å; C111-L214 VanDerWaalsContact CA-O 3.24Å; C111-L214 WeakPolarHBondContact CA-O 3.4Å
112	S	98.7	Very high	92.4	Very high	7 Å²	7	63.1 Å²	63.1	5%	0.049	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	151.7	160	-59.3	0	0	0	0	109.6	G174 L214	S112-G174 CarbonylContact C-O 3.54Å; S112-G174 WeakPolarHBondContact CA-O 3.31Å; S112-L214 PolarHBondContact N-O 2.93Å; S112-L214 PolarHBondContact O-N 2.93Å
113	H	98.8	Very high	94	Very high	6 Å²	6	66 Å²	66	3%	0.028	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.3	174.8	82.3	167	0	0	0	114.9	C167 S169 G174 L176 F188 H211 I212	H113-C167 WeakPolarHBondContact NE2-CB 3.32Å; H113-C167 PolarHBondContact NE2-SG 3.46Å; H113-S169 PolarHBondContact CD2-OG 3.06Å; H113-S169 VanDerWaalsContact CD2-OG 3.3Å; H113-S169 PolarHBondContact NE2-OG 3.34Å; H113-G174 PolarHBondContact N-O 3.36Å; H113-G174 WeakPolarHBondContact O-CA 3.17Å; H113-L176 HydrophobicContact CB-CD1 4.44Å; H113-F188 HydrophobicContact CB-CE2 3.79Å; H113-F188 HydrophobicContact CB-CZ 3.83Å; H113-F188 AromaticContact CG-CE2 3.95Å; H113-F188 AromaticContact ND1-CE2 3.33Å; H113-F188 VanDerWaalsContact ND1-CE2 3.33Å; H113-F188 WeakPolarHBondContact ND1-CE2 3.31Å; H113-F188 AromaticContact ND1-CZ 3.65Å; H113-H211 AromaticContact CE1-CE1 3.2Å; H113-H211 PolarHBondContact CE1-CE1 2.8Å; H113-H211 AromaticContact CE1-ND1 3.88Å; H113-H211 AromaticContact CE1-NE2 3.46Å; H113-H211 PolarHBondContact CE1-NE2 2.79Å; H113-H211 AromaticContact CG-CE1 3.27Å; H113-H211 AromaticContact ND1-CE1 2.5Å; H113-H211 PolarHBondContact ND1-CE1 2.78Å; H113-H211 AromaticContact ND1-ND1 3.31Å; H113-H211 PolarHBondContact ND1-ND1 2.77Å; H113-H211 AromaticContact ND1-NE2 3.58Å; H113-I212 CarbonylContact C-O 3.51Å; H113-I212 WeakPolarHBondContact CA-O 3.33Å; H113-I212 WeakPolarHBondContact CB-O 3.46Å
114	L	98.8	Very high	95.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.4	165.8	-167.6	167.6	0	0	0	107.3	V116 I143 Y146 F157 L160 A161 H211 I212	L114-V116 HydrophobicContact CD2-CG2 3.77Å; L114-I143 HydrophobicContact CD2-CD1 4.01Å; L114-Y146 HydrophobicContact CD1-CD2 3.9Å; L114-Y146 HydrophobicContact CD1-CG 4.13Å; L114-Y146 HydrophobicContact CD2-CD2 3.85Å; L114-Y146 HydrophobicContact CD2-CE2 4.13Å; L114-F157 HydrophobicContact CB-CZ 4.39Å; L114-L160 HydrophobicContact CD1-CB 3.63Å; L114-A161 HydrophobicContact CB-CB 4.31Å; L114-H211 CarbonylContact O-C 3.54Å; L114-H211 VanDerWaalsContact O-CA 3.26Å; L114-H211 WeakPolarHBondContact O-CA 3.37Å; L114-I212 HydrophobicContact CB-CB 4.42Å; L114-I212 HydrophobicContact CB-CD1 4.43Å; L114-I212 HydrophobicContact CD1-CD1 4.38Å; L114-I212 PolarHBondContact N-O 3.4Å; L114-I212 PolarHBondContact O-N 3.49Å
115	L	98.8	Very high	96.7	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.8	178.1	165.7	58.1	0	0	0	109.9	K117 S165 D166 C167 V210	L115-K117 HydrophobicContact CD1-CG 4.29Å; L115-K117 HydrophobicContact CD2-CG 4.28Å; L115-K117 HydrophobicContact CG-CG 4.18Å; L115-S165 PolarHBondContact N-OG 2.84Å; L115-S165 CarbonylContact O-C 3.56Å; L115-S165 WeakPolarHBondContact O-CA 3.34Å; L115-D166 HydrophobicContact CG-CB 4.44Å; L115-D166 PolarHBondContact O-N 3.49Å; L115-C167 HydrophobicContact CB-CB 4.21Å; L115-C167 HydrophobicContact CD2-CB 4.11Å; L115-V210 WeakPolarHBondContact CA-O 3.4Å; L115-V210 WeakPolarHBondContact CD1-O 3.39Å
116	V	98.8	Very high	97.7	Very high	3 Å²	3	51 Å²	51	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.9	163.2	-177.7	0	0	0	0	108.9	L114 A139 L142 I143 Y146 V210	L114-V116 HydrophobicContact CD2-CG2 3.77Å; V116-A139 HydrophobicContact CB-CB 4.4Å; V116-A139 HydrophobicContact CG1-CB 3.73Å; V116-L142 HydrophobicContact CG1-CB 4.33Å; V116-L142 HydrophobicContact CG1-CD1 3.93Å; V116-L142 HydrophobicContact CG2-CB 4.34Å; V116-I143 HydrophobicContact CB-CD1 4.13Å; V116-I143 HydrophobicContact CB-CG1 3.95Å; V116-I143 HydrophobicContact CG2-CD1 3.74Å; V116-I143 HydrophobicContact CG2-CG1 3.82Å; V116-Y146 HydrophobicContact CG2-CD2 4.36Å; V116-Y146 HydrophobicContact CG2-CE2 3.93Å; V116-V210 PolarHBondContact N-O 3.13Å; V116-V210 PolarHBondContact O-N 3.48Å
117	K	98.8	Very high	98.1	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.057	25%	0.249	C	C	.	.			trans	-86.9	162.6	176.5	-70.4	-174.3	177	-167.1	0	112.5	L115 R123 S125 I132 R134 D166 S208	L115-K117 HydrophobicContact CD1-CG 4.29Å; L115-K117 HydrophobicContact CD2-CG 4.28Å; L115-K117 HydrophobicContact CG-CG 4.18Å; K117-R123 WeakPolarHBondContact CD-O 3.37Å; K117-R123 PolarHBondContact NZ-O 2.83Å; K117-S125 PolarHBondContact NZ-O 2.84Å; K117-I132 HydrophobicContact CB-CD1 3.68Å; K117-I132 HydrophobicContact CB-CG2 4.18Å; K117-I132 HydrophobicContact CD-CD1 3.88Å; K117-I132 HydrophobicContact CG-CD1 4.33Å; K117-R134 WeakPolarHBondContact O-CD 3.44Å; K117-R134 WeakPolarHBondContact O-CG 3.4Å; K117-R134 PolarHBondContact O-NH1 3.04Å; K117-D166 HydrophobicContact CB-CB 4.17Å; K117-D166 HydrophobicContact CD-CB 3.88Å; K117-D166 HydrophobicContact CG-CB 3.66Å; K117-D166 PolarHBondContact N-OD2 2.75Å; K117-S208 WeakPolarHBondContact CG-O 3.44Å
118	H	98.8	Very high	98.2	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.046	23%	0.231	C	C	.	.			trans	-138	169.9	172.9	48.4	65.3	0	0	0	110.3	Q120 S121 R134 S135 K136 A139	H118-Q120 WeakPolarHBondContact ND1-CB 3.42Å; H118-Q120 PolarHBondContact ND1-N 2.86Å; H118-Q120 PolarHBondContact O-N 2.7Å; H118-S121 PolarHBondContact CE1-OG 3.07Å; H118-S121 PolarHBondContact N-OG 2.92Å; H118-S121 PolarHBondContact ND1-N 2.84Å; H118-S121 VanDerWaalsContact ND1-N 3.12Å; H118-S121 PolarHBondContact ND1-OG 2.94Å; H118-S121 WeakPolarHBondContact O-CB 3.25Å; H118-S121 PolarHBondContact O-N 3.24Å; H118-S121 PolarHBondContact O-OG 2.64Å; H118-S121 VanDerWaalsContact O-OG 3.06Å; H118-R134 CarbonylContact C-O 3.49Å; H118-R134 VanDerWaalsContact CA-O 3.26Å; H118-R134 WeakPolarHBondContact CA-O 3.41Å; H118-R134 WeakPolarHBondContact CB-O 3.27Å; H118-S135 VanDerWaalsContact CB-O 3.31Å; H118-S135 WeakPolarHBondContact CB-O 3.09Å; H118-K136 HydrophobicContact CB-CB 4.48Å; H118-A139 HydrophobicContact CB-CB 3.98Å
119	N	98.3	Very high	98.3	Very high	74 Å²	74	51.3 Å²	51.3	40%	0.396	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.4	178.3	53	30.1	0	0	0	113.9	S121 I132 T133 R134	N119-S121 VanDerWaalsContact C-N 3.32Å; N119-S121 PolarHBondContact O-N 2.71Å; N119-I132 WeakPolarHBondContact CA-O 3.49Å; N119-T133 PolarHBondContact ND2-O 2.87Å; N119-R134 VanDerWaalsContact CG-O 3.32Å; N119-R134 PolarHBondContact N-O 2.76Å; N119-R134 PolarHBondContact ND2-O 2.74Å
120	Q	98.4	Very high	98.3	Very high	141 Å²	141	59.7 Å²	59.7	66%	0.659	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.4	173.8	-68.3	173.7	-13.2	0	0	115	H118	H118-Q120 WeakPolarHBondContact ND1-CB 3.42Å; H118-Q120 PolarHBondContact ND1-N 2.86Å; H118-Q120 PolarHBondContact O-N 2.7Å
121	S	98.4	Very high	98.2	Very high	5 Å²	5	60 Å²	60	4%	0.035	27%	0.273	C	S	.	.	S	Bend	trans	-72.1	142	179.6	-61.1	0	0	0	0	110.6	H118 N119 R123 P124 S208	H118-S121 PolarHBondContact CE1-OG 3.07Å; H118-S121 PolarHBondContact N-OG 2.92Å; H118-S121 PolarHBondContact ND1-N 2.84Å; H118-S121 VanDerWaalsContact ND1-N 3.12Å; H118-S121 PolarHBondContact ND1-OG 2.94Å; H118-S121 WeakPolarHBondContact O-CB 3.25Å; H118-S121 PolarHBondContact O-N 3.24Å; H118-S121 PolarHBondContact O-OG 2.64Å; H118-S121 VanDerWaalsContact O-OG 3.06Å; N119-S121 VanDerWaalsContact C-N 3.32Å; N119-S121 PolarHBondContact O-N 2.71Å; S121-R123 PolarHBondContact O-N 2.82Å; S121-P124 VanDerWaalsContact O-CD 3.29Å; S121-P124 WeakPolarHBondContact O-CD 3.24Å; S121-S208 WeakPolarHBondContact CB-O 3.42Å; S121-S208 PolarHBondContact OG-O 3.08Å
122	R	98.1	Very high	98.2	Very high	178 Å²	178	60.1 Å²	60.1	67%	0.672	27%	0.273	S	S	*	.	S	Bend	trans	-51.9	-17.2	-177.9	71	-177.9	171.3	138.9	-0.7	116.4	Q185 D207 S208	R122-Q185 VanDerWaalsContact NE-NE2 3.18Å; R122-D207 HydrophobicContact CB-CB 4.26Å; R122-D207 WeakPolarHBondContact CB-O 3.31Å; R122-D207 HydrophobicContact CG-CB 4.35Å; R122-D207 WeakPolarHBondContact CG-O 3.38Å; R122-D207 PolarHBondContact N-O 2.93Å; R122-S208 PolarHBondContact NE-OG 2.95Å; R122-S208 PolarHBondContact NH2-OG 2.75Å
123	R	97.9	Very high	98.2	Very high	141 Å²	141	64.1 Å²	64.1	53%	0.532	30%	0.298	S	S	.	.	S	Bend	trans	-149.6	91.7	168.4	-169.6	177.1	70.4	74.4	-0.8	107.8	K117 S121 S125	K117-R123 WeakPolarHBondContact CD-O 3.37Å; K117-R123 PolarHBondContact NZ-O 2.83Å; S121-R123 PolarHBondContact O-N 2.82Å; R123-S125 PolarHBondContact NH1-O 3.18Å; R123-S125 PolarHBondContact O-N 3.37Å
124	P	97.9	Very high	98.2	Very high	44 Å²	44	65.4 Å²	65.4	29%	0.286	30%	0.302	S	S	.	.			trans	-80.1	64.4	-172.2	33.9	-34.1	0	0	0	110.3	S121 I132	S121-P124 VanDerWaalsContact O-CD 3.29Å; S121-P124 WeakPolarHBondContact O-CD 3.24Å; P124-I132 HydrophobicContact CB-CB 4.36Å; P124-I132 PolarHBondContact O-N 2.8Å
125	S	98.3	Very high	98.2	Very high	27 Å²	27	67 Å²	67	19%	0.189	31%	0.313	C	S	.	.			trans	-163	135.4	-171	176.8	0	0	0	0	109.3	K117 R123 Q130	K117-S125 PolarHBondContact NZ-O 2.84Å; R123-S125 PolarHBondContact NH1-O 3.18Å; R123-S125 PolarHBondContact O-N 3.37Å; S125-Q130 WeakPolarHBondContact CB-O 3.13Å; S125-Q130 PolarHBondContact OG-O 3.46Å
126	S	98.3	Very high	98.2	Very high	16 Å²	16	70.5 Å²	70.5	11%	0.112	33%	0.329	C	S	.	.			trans	-135.1	-173.9	-179.7	75.5	0	0	0	0	111.5	R128 E129 D166	S126-R128 WeakPolarHBondContact OG-CB 3.42Å; S126-R128 PolarHBondContact OG-N 3.25Å; S126-E129 PolarHBondContact N-O 2.89Å; S126-E129 PolarHBondContact OG-N 3.06Å; S126-D166 WeakPolarHBondContact CB-O 3.21Å; S126-D166 VanDerWaalsContact CB-OD1 3.25Å; S126-D166 WeakPolarHBondContact CB-OD1 3.36Å; S126-D166 PolarHBondContact OG-OD1 3.39Å
127	W	97.8	Very high	98.2	Very high	145 Å²	145	75.5 Å²	75.5	55%	0.549	36%	0.355	S	S	.	.	S	Bend	trans	-75.5	-14	169.5	64.3	-89.9	0	0	0	112.4	S162 S165 C167 A170	W127-S162 WeakPolarHBondContact CH2-O 3.45Å; W127-S162 WeakPolarHBondContact CZ2-O 3.49Å; W127-S165 PolarHBondContact NE1-O 3.04Å; W127-C167 PolarHBondContact NE1-O 3.12Å; W127-A170 HydrophobicContact CZ2-CB 3.5Å
128	R	97.3	Very high	98.2	Very high	90 Å²	90	79.7 Å²	79.7	34%	0.34	38%	0.375	S	S	.	.	S	Bend	trans	-92.1	-36.2	-179.1	-55.3	171.1	58.8	-103.6	-2.2	111.8	S126 Q163 F164 S165 D166	S126-R128 WeakPolarHBondContact OG-CB 3.42Å; S126-R128 PolarHBondContact OG-N 3.25Å; R128-Q163 PolarHBondContact NE-O 2.98Å; R128-F164 PolarHBondContact NE-O 2.94Å; R128-F164 PolarHBondContact NH1-O 2.78Å; R128-S165 WeakPolarHBondContact CD-O 3.44Å; R128-D166 IonicContact CZ-OD1 3.62Å; R128-D166 IonicContact NH1-OD1 3.65Å; R128-D166 PolarHBondContact NH1-OD1 3.28Å; R128-D166 IonicContact NH1-OD2 3.57Å
129	E	97.3	Very high	98.1	Very high	64 Å²	64	79.2 Å²	79.2	30%	0.299	37%	0.373	S	S	.	.			trans	-148.2	122.4	-172.9	-175.5	178.9	165.6	0	0	110.2	S126 N131 I132 R134	S126-E129 PolarHBondContact N-O 2.89Å; S126-E129 PolarHBondContact OG-N 3.06Å; E129-N131 PolarHBondContact O-N 3.46Å; E129-I132 HydrophobicContact CB-CD1 4.44Å; E129-I132 HydrophobicContact CB-CG1 3.87Å; E129-I132 HydrophobicContact CG-CG1 3.87Å; E129-I132 WeakPolarHBondContact OE1-CA 3.19Å; E129-R134 IonicContact OE2-CZ 3.95Å; E129-R134 IonicContact OE2-NE 3.97Å; E129-R134 IonicContact OE2-NH2 3.64Å; E129-R134 PolarHBondContact OE2-NH2 3.32Å
130	Q	97.4	Very high	98.2	Very high	177 Å²	177	77.4 Å²	77.4	83%	0.827	36%	0.363	S	S	*	.	S	Bend	trans	-71.1	-32	-172.3	-170.5	176.6	8	0	0	113.1	S125	S125-Q130 WeakPolarHBondContact CB-O 3.13Å; S125-Q130 PolarHBondContact OG-O 3.46Å
131	N	97.8	Very high	98.2	Very high	114 Å²	114	75.3 Å²	75.3	61%	0.61	36%	0.356	S	S	*	.	S	Bend	trans	-137.9	101.3	-178.6	174.2	44	0	0	0	109.7	E129 T133	E129-N131 PolarHBondContact O-N 3.46Å; N131-T133 PolarHBondContact O-N 2.87Å
132	I	98.4	Very high	98.2	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.01	37%	0.369	C	S	.	.			trans	-89	107.6	-170.1	-63	176.6	0	0	0	110.2	K117 N119 P124 E129 R134	K117-I132 HydrophobicContact CB-CD1 3.68Å; K117-I132 HydrophobicContact CB-CG2 4.18Å; K117-I132 HydrophobicContact CD-CD1 3.88Å; K117-I132 HydrophobicContact CG-CD1 4.33Å; N119-I132 WeakPolarHBondContact CA-O 3.49Å; P124-I132 HydrophobicContact CB-CB 4.36Å; P124-I132 PolarHBondContact O-N 2.8Å; E129-I132 HydrophobicContact CB-CD1 4.44Å; E129-I132 HydrophobicContact CB-CG1 3.87Å; E129-I132 HydrophobicContact CG-CG1 3.87Å; E129-I132 WeakPolarHBondContact OE1-CA 3.19Å; I132-R134 HydrophobicContact CG2-CG 3.97Å
133	T	98.4	Very high	98.2	Very high	92 Å²	92	69.4 Å²	69.4	56%	0.564	34%	0.337	S	S	*	.			trans	-93.6	-21.3	-172.9	55.4	0	0	0	0	114.6	N119 N131	N119-T133 PolarHBondContact ND2-O 2.87Å; N131-T133 PolarHBondContact O-N 2.87Å
134	R	98.6	Very high	98.2	Very high	32 Å²	32	66.8 Å²	66.8	12%	0.121	33%	0.331	C	S	.	.			trans	-55.5	144.2	-176.5	77.6	-169.7	86.9	110.9	-7.3	112.9	K117 H118 N119 E129 I132 E138 D166	K117-R134 WeakPolarHBondContact O-CD 3.44Å; K117-R134 WeakPolarHBondContact O-CG 3.4Å; K117-R134 PolarHBondContact O-NH1 3.04Å; H118-R134 CarbonylContact C-O 3.49Å; H118-R134 VanDerWaalsContact CA-O 3.26Å; H118-R134 WeakPolarHBondContact CA-O 3.41Å; H118-R134 WeakPolarHBondContact CB-O 3.27Å; N119-R134 VanDerWaalsContact CG-O 3.32Å; N119-R134 PolarHBondContact N-O 2.76Å; N119-R134 PolarHBondContact ND2-O 2.74Å; E129-R134 IonicContact OE2-CZ 3.95Å; E129-R134 IonicContact OE2-NE 3.97Å; E129-R134 IonicContact OE2-NH2 3.64Å; E129-R134 PolarHBondContact OE2-NH2 3.32Å; I132-R134 HydrophobicContact CG2-CG 3.97Å; R134-E138 HydrophobicContact CB-CB 4.33Å; R134-D166 IonicContact CZ-OD2 3.58Å; R134-D166 IonicContact NH1-OD2 3.67Å; R134-D166 PolarHBondContact NH1-OD2 2.84Å; R134-D166 IonicContact NH2-OD2 2.75Å
135	S	98.7	Very high	98.2	Very high	33 Å²	33	70.1 Å²	70.1	23%	0.231	34%	0.341	C	S	.	.			trans	-67.3	167.8	177.7	66.6	0	0	0	0	112.9	H118 D137 E138 A139	H118-S135 VanDerWaalsContact CB-O 3.31Å; H118-S135 WeakPolarHBondContact CB-O 3.09Å; S135-D137 PolarHBondContact O-N 2.67Å; S135-E138 WeakPolarHBondContact CB-OE2 3.49Å; S135-E138 PolarHBondContact N-OE2 2.84Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 VanDerWaalsContact OG-CG 3.31Å; S135-E138 WeakPolarHBondContact OG-CG 3.47Å; S135-E138 PolarHBondContact OG-N 3.2Å; S135-E138 VanDerWaalsContact OG-N 3.13Å; S135-E138 PolarHBondContact OG-OE2 3Å; S135-A139 PolarHBondContact O-N 3.43Å; S135-A139 VanDerWaalsContact O-N 3.16Å
136	K	98.4	Very high	98.2	Very high	80 Å²	80	69.6 Å²	69.6	35%	0.348	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-32.7	173.5	-177.3	176.3	178.3	-174.7	0	112.1	H118 A139 L140 F205	H118-K136 HydrophobicContact CB-CB 4.48Å; K136-A139 PolarHBondContact O-N 3.38Å; K136-L140 PolarHBondContact O-N 2.9Å; K136-F205 VanDerWaalsContact CE-CD1 3.43Å
137	D	98.4	Very high	98.2	Very high	107 Å²	107	69.8 Å²	69.8	57%	0.572	33%	0.334	S	S	*	.	H	α-helix	trans	-77.2	-43.1	-177.4	-54	-38.8	0	0	0	110.5	S135 A139 L140 D141	S135-D137 PolarHBondContact O-N 2.67Å; D137-A139 PolarHBondContact O-N 2.65Å; D137-L140 CarbonylContact O-C 3.55Å; D137-L140 WeakPolarHBondContact O-CA 3.45Å; D137-L140 WeakPolarHBondContact O-CB 3.42Å; D137-L140 PolarHBondContact O-N 2.86Å; D137-D141 PolarHBondContact O-N 3.49Å
138	E	98.6	Very high	98.2	Very high	102 Å²	102	69.1 Å²	69.1	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-35.5	169.7	-71.1	162.4	105.6	0	0	112.4	R134 S135 L140 L142	R134-E138 HydrophobicContact CB-CB 4.33Å; S135-E138 WeakPolarHBondContact CB-OE2 3.49Å; S135-E138 PolarHBondContact N-OE2 2.84Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 VanDerWaalsContact OG-CG 3.31Å; S135-E138 WeakPolarHBondContact OG-CG 3.47Å; S135-E138 PolarHBondContact OG-N 3.2Å; S135-E138 VanDerWaalsContact OG-N 3.13Å; S135-E138 PolarHBondContact OG-OE2 3Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L142 WeakPolarHBondContact O-CB 3.46Å; E138-L142 VanDerWaalsContact O-CG 3.3Å; E138-L142 WeakPolarHBondContact O-CG 3.25Å; E138-L142 PolarHBondContact O-N 3.33Å; E138-L142 VanDerWaalsContact O-N 3.09Å
139	A	98.6	Very high	98.2	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69.6	-31.5	174.1	0	0	0	0	0	112.8	V116 H118 S135 K136 D137 I143 V210	V116-A139 HydrophobicContact CB-CB 4.4Å; V116-A139 HydrophobicContact CG1-CB 3.73Å; H118-A139 HydrophobicContact CB-CB 3.98Å; S135-A139 PolarHBondContact O-N 3.43Å; S135-A139 VanDerWaalsContact O-N 3.16Å; K136-A139 PolarHBondContact O-N 3.38Å; D137-A139 PolarHBondContact O-N 2.65Å; A139-I143 WeakPolarHBondContact O-CG1 3.37Å; A139-I143 PolarHBondContact O-N 3.14Å; A139-V210 HydrophobicContact CB-CG2 4.17Å
140	L	98.4	Very high	98.3	Very high	35 Å²	35	64.6 Å²	64.6	18%	0.183	32%	0.321	C	S	.	.	H	α-helix	trans	-72.4	-42.5	173.1	174.1	60.5	0	0	0	111.4	K136 D137 E138 L142 I143 Q144 P203 F205	K136-L140 PolarHBondContact O-N 2.9Å; D137-L140 CarbonylContact O-C 3.55Å; D137-L140 WeakPolarHBondContact O-CA 3.45Å; D137-L140 WeakPolarHBondContact O-CB 3.42Å; D137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.35Å; L140-L142 PolarHBondContact O-N 3.28Å; L140-I143 WeakPolarHBondContact O-CB 3.35Å; L140-I143 PolarHBondContact O-N 3.03Å; L140-I143 VanDerWaalsContact O-N 3.15Å; L140-Q144 HydrophobicContact CD1-CG 4.22Å; L140-Q144 WeakPolarHBondContact O-CG 3.19Å; L140-Q144 PolarHBondContact O-N 3.22Å; L140-P203 HydrophobicContact CD1-CB 3.61Å; L140-P203 HydrophobicContact CD1-CG 3.7Å; L140-F205 HydrophobicContact CD1-CZ 3.9Å; L140-F205 HydrophobicContact CD2-CZ 4.18Å; L140-F205 HydrophobicContact CG-CZ 4.47Å
141	D	98.6	Very high	98.1	Very high	97 Å²	97	62.2 Å²	62.2	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-42.5	178.2	-66.9	-19.3	0	0	0	111.6	D137 I143 Q144 K145	D137-D141 PolarHBondContact O-N 3.49Å; D141-I143 VanDerWaalsContact C-N 3.34Å; D141-I143 PolarHBondContact O-N 2.97Å; D141-Q144 PolarHBondContact O-N 3.32Å; D141-K145 WeakPolarHBondContact O-CB 3.28Å; D141-K145 PolarHBondContact O-N 3.41Å
142	L	98.5	Very high	98.1	Very high	59 Å²	59	60.5 Å²	60.5	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-43.7	172	-74.9	168.9	0	0	0	111.9	V116 E138 L140 K145 Y146	V116-L142 HydrophobicContact CG1-CB 4.33Å; V116-L142 HydrophobicContact CG1-CD1 3.93Å; V116-L142 HydrophobicContact CG2-CB 4.34Å; E138-L142 WeakPolarHBondContact O-CB 3.46Å; E138-L142 VanDerWaalsContact O-CG 3.3Å; E138-L142 WeakPolarHBondContact O-CG 3.25Å; E138-L142 PolarHBondContact O-N 3.33Å; E138-L142 VanDerWaalsContact O-N 3.09Å; L140-L142 PolarHBondContact O-N 3.28Å; L142-K145 PolarHBondContact O-N 3.1Å; L142-Y146 HydrophobicContact CB-CE2 4.17Å; L142-Y146 WeakPolarHBondContact O-CD2 3.42Å; L142-Y146 VanDerWaalsContact O-CG 3.23Å; L142-Y146 PolarHBondContact O-N 3.43Å
143	I	98.6	Very high	97.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-42.1	177.5	-72.9	-81.2	0	0	0	111.5	L114 V116 A139 L140 D141 Y146 I147 P203 V210 I212	L114-I143 HydrophobicContact CD2-CD1 4.01Å; V116-I143 HydrophobicContact CB-CD1 4.13Å; V116-I143 HydrophobicContact CB-CG1 3.95Å; V116-I143 HydrophobicContact CG2-CD1 3.74Å; V116-I143 HydrophobicContact CG2-CG1 3.82Å; A139-I143 WeakPolarHBondContact O-CG1 3.37Å; A139-I143 PolarHBondContact O-N 3.14Å; L140-I143 WeakPolarHBondContact O-CB 3.35Å; L140-I143 PolarHBondContact O-N 3.03Å; L140-I143 VanDerWaalsContact O-N 3.15Å; D141-I143 VanDerWaalsContact C-N 3.34Å; D141-I143 PolarHBondContact O-N 2.97Å; I143-Y146 PolarHBondContact O-N 3.07Å; I143-I147 HydrophobicContact CG2-CD1 3.93Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.24Å; I143-I147 PolarHBondContact O-N 2.91Å; I143-P203 HydrophobicContact CG2-CB 3.84Å; I143-P203 HydrophobicContact CG2-CG 3.98Å; I143-V210 HydrophobicContact CB-CG1 4.16Å; I143-V210 HydrophobicContact CD1-CG1 4.49Å; I143-V210 HydrophobicContact CG1-CB 3.96Å; I143-V210 HydrophobicContact CG1-CG1 3.82Å; I143-V210 HydrophobicContact CG2-CG1 4.08Å; I143-I212 HydrophobicContact CD1-CD1 4.28Å; I143-I212 HydrophobicContact CD1-CG1 3.76Å; I143-I212 HydrophobicContact CG2-CD1 4.44Å; I143-I212 HydrophobicContact CG2-CG1 3.84Å
144	Q	98.2	Very high	97.9	Very high	87 Å²	87	65.3 Å²	65.3	41%	0.407	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.5	-72.4	-177.3	42.4	0	0	111	L140 D141 Y146 I147 E148	L140-Q144 HydrophobicContact CD1-CG 4.22Å; L140-Q144 WeakPolarHBondContact O-CG 3.19Å; L140-Q144 PolarHBondContact O-N 3.22Å; D141-Q144 PolarHBondContact O-N 3.32Å; Q144-Y146 VanDerWaalsContact C-N 3.35Å; Q144-Y146 PolarHBondContact O-N 2.78Å; Q144-I147 WeakPolarHBondContact O-CB 3.41Å; Q144-I147 PolarHBondContact O-N 2.89Å; Q144-I147 VanDerWaalsContact O-N 3.14Å; Q144-E148 WeakPolarHBondContact O-CG 3.43Å; Q144-E148 PolarHBondContact O-N 3.11Å
145	K	98.5	Very high	97.9	Very high	113 Å²	113	66.8 Å²	66.8	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-47.3	174.1	177.8	-179.4	173.8	179.4	0	112.1	D141 L142 I147 E148 Q149	D141-K145 WeakPolarHBondContact O-CB 3.28Å; D141-K145 PolarHBondContact O-N 3.41Å; L142-K145 PolarHBondContact O-N 3.1Å; K145-I147 VanDerWaalsContact C-N 3.34Å; K145-I147 PolarHBondContact O-N 3.38Å; K145-E148 PolarHBondContact O-N 3.16Å; K145-Q149 VanDerWaalsContact CE-OE1 3.3Å; K145-Q149 HydrophobicContact CG-CG 4.41Å; K145-Q149 WeakPolarHBondContact O-CG 3.32Å; K145-Q149 PolarHBondContact O-N 2.85Å
146	Y	98.5	Very high	97.8	Very high	17 Å²	17	72.1 Å²	72.1	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-37.6	178.9	-63.3	-39.3	0	0	0	112.2	L114 V116 L142 I143 Q144 E148 Q149 I150 L160 F164	L114-Y146 HydrophobicContact CD1-CD2 3.9Å; L114-Y146 HydrophobicContact CD1-CG 4.13Å; L114-Y146 HydrophobicContact CD2-CD2 3.85Å; L114-Y146 HydrophobicContact CD2-CE2 4.13Å; V116-Y146 HydrophobicContact CG2-CD2 4.36Å; V116-Y146 HydrophobicContact CG2-CE2 3.93Å; L142-Y146 HydrophobicContact CB-CE2 4.17Å; L142-Y146 WeakPolarHBondContact O-CD2 3.42Å; L142-Y146 VanDerWaalsContact O-CG 3.23Å; L142-Y146 PolarHBondContact O-N 3.43Å; I143-Y146 PolarHBondContact O-N 3.07Å; Q144-Y146 VanDerWaalsContact C-N 3.35Å; Q144-Y146 PolarHBondContact O-N 2.78Å; Y146-E148 VanDerWaalsContact C-N 3.32Å; Y146-E148 PolarHBondContact O-N 3.1Å; Y146-Q149 PolarHBondContact O-N 3.37Å; Y146-I150 WeakPolarHBondContact O-CD1 3.38Å; Y146-I150 WeakPolarHBondContact O-CG1 3.44Å; Y146-I150 PolarHBondContact O-N 3.02Å; Y146-L160 HydrophobicContact CD1-CD1 3.94Å; Y146-L160 HydrophobicContact CD1-CD2 4.1Å; Y146-L160 HydrophobicContact CD1-CG 4.47Å; Y146-L160 HydrophobicContact CE1-CD2 4.35Å; Y146-L160 HydrophobicContact CG-CD1 4.28Å; Y146-F164 HydrophobicContact CE1-CB 4.35Å; Y146-F164 AromaticContact CE1-CD2 3.7Å; Y146-F164 HydrophobicContact CE1-CD2 3.7Å; Y146-F164 HydrophobicContact CE1-CE2 4.18Å; Y146-F164 AromaticContact CE1-CG 3.97Å; Y146-F164 HydrophobicContact CE1-CG 3.97Å; Y146-F164 HydrophobicContact CE2-CB 3.94Å; Y146-F164 HydrophobicContact CE2-CG 4.41Å; Y146-F164 AromaticContact CZ-CD2 3.86Å; Y146-F164 AromaticContact CZ-CG 3.62Å; Y146-F164 WeakPolarHBondContact OH-CB 3.15Å; Y146-F164 VanDerWaalsContact OH-CD1 3.31Å; Y146-F164 WeakPolarHBondContact OH-CD1 3.4Å; Y146-F164 WeakPolarHBondContact OH-CG 3.34Å
147	I	97.6	Very high	97.8	Very high	19 Å²	19	68.7 Å²	68.7	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-41.4	172.5	-69.4	165.6	0	0	0	110.9	I143 Q144 K145 K151 M200 P203 I212	I143-I147 HydrophobicContact CG2-CD1 3.93Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.24Å; I143-I147 PolarHBondContact O-N 2.91Å; Q144-I147 WeakPolarHBondContact O-CB 3.41Å; Q144-I147 PolarHBondContact O-N 2.89Å; Q144-I147 VanDerWaalsContact O-N 3.14Å; K145-I147 VanDerWaalsContact C-N 3.34Å; K145-I147 PolarHBondContact O-N 3.38Å; I147-K151 HydrophobicContact CG2-CD 4.04Å; I147-K151 HydrophobicContact CG2-CG 4.4Å; I147-K151 VanDerWaalsContact O-CB 3.31Å; I147-K151 WeakPolarHBondContact O-CB 3.47Å; I147-K151 WeakPolarHBondContact O-CG 3.33Å; I147-K151 PolarHBondContact O-N 2.91Å; I147-M200 HydrophobicContact CB-CE 4.48Å; I147-M200 HydrophobicContact CG1-CE 4.39Å; I147-M200 HydrophobicContact CG2-CE 4.1Å; I147-P203 HydrophobicContact CD1-CG 4.02Å; I147-I212 HydrophobicContact CD1-CG1 4.25Å; I147-I212 HydrophobicContact CG1-CD1 3.68Å; I147-I212 HydrophobicContact CG1-CG1 3.9Å; I147-I212 HydrophobicContact CG1-CG2 4.2Å
148	E	97.7	Very high	97.8	Very high	131 Å²	131	67.9 Å²	67.9	61%	0.612	34%	0.343	S	S	*	.	H	α-helix	trans	-65.8	-46.7	177.6	-70.8	178.5	163.4	0	0	112.3	Q144 K145 Y146 I150 K151 S152	Q144-E148 WeakPolarHBondContact O-CG 3.43Å; Q144-E148 PolarHBondContact O-N 3.11Å; K145-E148 PolarHBondContact O-N 3.16Å; Y146-E148 VanDerWaalsContact C-N 3.32Å; Y146-E148 PolarHBondContact O-N 3.1Å; E148-I150 VanDerWaalsContact C-N 3.29Å; E148-I150 PolarHBondContact O-N 2.85Å; E148-K151 PolarHBondContact O-N 3.26Å; E148-S152 WeakPolarHBondContact O-CB 3.29Å; E148-S152 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-OG 2.81Å
149	Q	97.9	Very high	97.8	Very high	26 Å²	26	65.2 Å²	65.2	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-29.9	178.1	-65.5	-176.4	-78.2	0	0	112.9	K145 Y146 S152 E154 E155 L160	K145-Q149 VanDerWaalsContact CE-OE1 3.3Å; K145-Q149 HydrophobicContact CG-CG 4.41Å; K145-Q149 WeakPolarHBondContact O-CG 3.32Å; K145-Q149 PolarHBondContact O-N 2.85Å; Y146-Q149 PolarHBondContact O-N 3.37Å; Q149-S152 WeakPolarHBondContact CA-OG 3.26Å; Q149-S152 PolarHBondContact O-OG 2.95Å; Q149-S152 VanDerWaalsContact O-OG 3.06Å; Q149-E154 PolarHBondContact NE2-OE1 2.9Å; Q149-E154 PolarHBondContact O-N 3.42Å; Q149-E154 VanDerWaalsContact O-N 3.13Å; Q149-E155 HydrophobicContact CB-CB 4.17Å; Q149-E155 PolarHBondContact O-N 2.84Å; Q149-L160 HydrophobicContact CB-CD1 4.46Å
150	I	97.6	Very high	97.8	Very high	34 Å²	34	65.2 Å²	65.2	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-75.6	-44.1	172.2	-63.9	161.1	0	0	0	110.6	Y146 E148 S152 G153 F157 L160 M200 I212	Y146-I150 WeakPolarHBondContact O-CD1 3.38Å; Y146-I150 WeakPolarHBondContact O-CG1 3.44Å; Y146-I150 PolarHBondContact O-N 3.02Å; E148-I150 VanDerWaalsContact C-N 3.29Å; E148-I150 PolarHBondContact O-N 2.85Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.5Å; I150-G153 PolarHBondContact O-N 3.5Å; I150-G153 VanDerWaalsContact O-N 3.16Å; I150-F157 HydrophobicContact CD1-CB 4.34Å; I150-F157 HydrophobicContact CD1-CD2 3.86Å; I150-F157 HydrophobicContact CD1-CG 4.45Å; I150-L160 HydrophobicContact CD1-CD1 3.99Å; I150-L160 HydrophobicContact CG1-CD1 3.75Å; I150-M200 HydrophobicContact CB-CE 4.22Å; I150-M200 HydrophobicContact CB-SD 4.34Å; I150-M200 HydrophobicContact CD1-SD 3.89Å; I150-M200 HydrophobicContact CG2-CE 3.97Å; I150-M200 HydrophobicContact CG2-SD 3.82Å; I150-I212 HydrophobicContact CD1-CD1 4.49Å
151	K	94.6	Very high	97.8	Very high	127 Å²	127	63.6 Å²	63.6	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-68.8	-25.2	179.6	-78.5	-172.8	169.7	-167.1	0	113.6	S93 I147 E148 M200	S93-K151 PolarHBondContact O-NZ 2.94Å; I147-K151 HydrophobicContact CG2-CD 4.04Å; I147-K151 HydrophobicContact CG2-CG 4.4Å; I147-K151 VanDerWaalsContact O-CB 3.31Å; I147-K151 WeakPolarHBondContact O-CB 3.47Å; I147-K151 WeakPolarHBondContact O-CG 3.33Å; I147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 3.26Å; K151-M200 HydrophobicContact CG-CE 4.35Å
152	S	96.8	Very high	97.8	Very high	78 Å²	78	61.2 Å²	61.2	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.6	172.6	66.4	0	0	0	0	113.3	E148 Q149 I150 E154	E148-S152 WeakPolarHBondContact O-CB 3.29Å; E148-S152 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-OG 2.81Å; Q149-S152 WeakPolarHBondContact CA-OG 3.26Å; Q149-S152 PolarHBondContact O-OG 2.95Å; Q149-S152 VanDerWaalsContact O-OG 3.06Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.5Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 VanDerWaalsContact OG-CB 3.25Å; S152-E154 WeakPolarHBondContact OG-CB 3.5Å; S152-E154 PolarHBondContact OG-N 2.94Å
153	G	95.9	Very high	97.8	Very high	64 Å²	64	63.1 Å²	63.1	66%	0.66	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	11	-171	0	0	0	0	0	114.3	I150	I150-G153 PolarHBondContact O-N 3.5Å; I150-G153 VanDerWaalsContact O-N 3.16Å
154	E	97.1	Very high	97.8	Very high	131 Å²	131	65.9 Å²	65.9	61%	0.612	34%	0.338	S	S	*	.	S	Bend	trans	-65.4	-40	174.3	-177.7	-171.2	149.8	0	0	111.5	Q149 S152	Q149-E154 PolarHBondContact NE2-OE1 2.9Å; Q149-E154 PolarHBondContact O-N 3.42Å; Q149-E154 VanDerWaalsContact O-N 3.13Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 VanDerWaalsContact OG-CB 3.25Å; S152-E154 WeakPolarHBondContact OG-CB 3.5Å; S152-E154 PolarHBondContact OG-N 2.94Å
155	E	97.9	Very high	97.8	Very high	63 Å²	63	61.8 Å²	61.8	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-133.8	154.9	-176	-89.4	-75.4	-164.7	0	0	112.8	Q149 S159 L160	Q149-E155 HydrophobicContact CB-CB 4.17Å; Q149-E155 PolarHBondContact O-N 2.84Å; E155-S159 VanDerWaalsContact OE2-CB 3.28Å; E155-S159 WeakPolarHBondContact OE2-CB 3.49Å; E155-L160 HydrophobicContact CB-CD1 3.84Å; E155-L160 HydrophobicContact CB-CD2 4.01Å; E155-L160 HydrophobicContact CB-CG 3.87Å; E155-L160 HydrophobicContact CG-CD2 3.89Å; E155-L160 HydrophobicContact CG-CG 4.29Å
156	K	98.2	Very high	97.8	Very high	144 Å²	144	56.5 Å²	56.5	63%	0.626	30%	0.296	S	S	*	.			trans	-93.6	146.1	176.3	-63.7	-172.1	179.1	-177.2	0	111.2	E158 S159 L160	K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.99Å; K156-S159 WeakPolarHBondContact O-CB 3.47Å; K156-S159 PolarHBondContact O-N 3.05Å; K156-S159 VanDerWaalsContact O-N 3.14Å; K156-L160 PolarHBondContact O-N 2.8Å
157	F	98.5	Very high	97.8	Very high	8 Å²	8	57 Å²	57	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-53.2	-47.2	177.5	-172.6	-77.6	0	0	0	111.4	L114 I150 S159 L160 A161 M200 I212 L214	L114-F157 HydrophobicContact CB-CZ 4.39Å; I150-F157 HydrophobicContact CD1-CB 4.34Å; I150-F157 HydrophobicContact CD1-CD2 3.86Å; I150-F157 HydrophobicContact CD1-CG 4.45Å; F157-S159 PolarHBondContact O-N 3.27Å; F157-L160 PolarHBondContact O-N 3.02Å; F157-A161 HydrophobicContact CD1-CB 4.27Å; F157-A161 HydrophobicContact CE1-CB 4.12Å; F157-A161 WeakPolarHBondContact O-CB 3.32Å; F157-A161 PolarHBondContact O-N 3.31Å; F157-M200 HydrophobicContact CD2-CG 4.42Å; F157-M200 HydrophobicContact CD2-SD 3.77Å; F157-M200 HydrophobicContact CE2-CG 4.28Å; F157-M200 HydrophobicContact CE2-SD 4.06Å; F157-I212 HydrophobicContact CE2-CB 4.11Å; F157-I212 HydrophobicContact CE2-CG2 3.82Å; F157-L214 HydrophobicContact CB-CD2 3.87Å; F157-L214 HydrophobicContact CD1-CB 4.24Å; F157-L214 HydrophobicContact CD1-CD2 3.95Å; F157-L214 HydrophobicContact CD2-CB 3.78Å; F157-L214 HydrophobicContact CD2-CD2 4.02Å; F157-L214 HydrophobicContact CD2-CG 4.49Å; F157-L214 HydrophobicContact CE1-CB 4.09Å; F157-L214 HydrophobicContact CE2-CB 3.59Å; F157-L214 HydrophobicContact CG-CB 4.11Å; F157-L214 HydrophobicContact CG-CD2 3.66Å; F157-L214 HydrophobicContact CZ-CB 3.76Å
158	E	98.1	Very high	97.8	Very high	91 Å²	91	60.6 Å²	60.6	43%	0.425	33%	0.328	S	S	.	.	H	α-helix	trans	-68.2	-35.5	-177.5	-54.2	83.2	175	0	0	111.7	K156 S162	K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.99Å; E158-S162 VanDerWaalsContact O-CB 3.27Å; E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 2.75Å; E158-S162 PolarHBondContact O-OG 2.81Å
159	S	98.3	Very high	97.8	Very high	45 Å²	45	54.8 Å²	54.8	32%	0.315	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-48.5	174.4	-64	0	0	0	0	111.4	E155 K156 F157 S162 Q163	E155-S159 VanDerWaalsContact OE2-CB 3.28Å; E155-S159 WeakPolarHBondContact OE2-CB 3.49Å; K156-S159 WeakPolarHBondContact O-CB 3.47Å; K156-S159 PolarHBondContact O-N 3.05Å; K156-S159 VanDerWaalsContact O-N 3.14Å; F157-S159 PolarHBondContact O-N 3.27Å; S159-S162 PolarHBondContact O-N 2.85Å; S159-Q163 WeakPolarHBondContact O-CG 3.11Å; S159-Q163 PolarHBondContact O-N 3.14Å; S159-Q163 PolarHBondContact O-NE2 2.83Å
160	L	98.5	Very high	97.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-40.5	179.1	-64.3	179.7	0	0	0	111.5	L114 Y146 Q149 I150 E155 K156 F157 S162 Q163 F164	L114-L160 HydrophobicContact CD1-CB 3.63Å; Y146-L160 HydrophobicContact CD1-CD1 3.94Å; Y146-L160 HydrophobicContact CD1-CD2 4.1Å; Y146-L160 HydrophobicContact CD1-CG 4.47Å; Y146-L160 HydrophobicContact CE1-CD2 4.35Å; Y146-L160 HydrophobicContact CG-CD1 4.28Å; Q149-L160 HydrophobicContact CB-CD1 4.46Å; I150-L160 HydrophobicContact CD1-CD1 3.99Å; I150-L160 HydrophobicContact CG1-CD1 3.75Å; E155-L160 HydrophobicContact CB-CD1 3.84Å; E155-L160 HydrophobicContact CB-CD2 4.01Å; E155-L160 HydrophobicContact CB-CG 3.87Å; E155-L160 HydrophobicContact CG-CD2 3.89Å; E155-L160 HydrophobicContact CG-CG 4.29Å; K156-L160 PolarHBondContact O-N 2.8Å; F157-L160 PolarHBondContact O-N 3.02Å; L160-S162 VanDerWaalsContact C-N 3.31Å; L160-S162 PolarHBondContact O-N 2.86Å; L160-Q163 PolarHBondContact O-N 2.88Å; L160-F164 HydrophobicContact CB-CD2 4.25Å; L160-F164 HydrophobicContact CD2-CD2 3.72Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 WeakPolarHBondContact O-CB 2.98Å; L160-F164 WeakPolarHBondContact O-CD2 3.41Å; L160-F164 PolarHBondContact O-N 2.84Å
161	A	98.6	Very high	97.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-37	175.8	0	0	0	0	0	112.1	L114 F157 S165 A170 G173	L114-A161 HydrophobicContact CB-CB 4.31Å; F157-A161 HydrophobicContact CD1-CB 4.27Å; F157-A161 HydrophobicContact CE1-CB 4.12Å; F157-A161 WeakPolarHBondContact O-CB 3.32Å; F157-A161 PolarHBondContact O-N 3.31Å; A161-S165 WeakPolarHBondContact O-CB 3.44Å; A161-S165 PolarHBondContact O-N 3.11Å; A161-A170 VanDerWaalsContact O-CB 3.32Å; A161-A170 WeakPolarHBondContact O-CB 3.49Å; A161-G173 WeakPolarHBondContact CB-O 3.36Å
162	S	98.4	Very high	98	Very high	48 Å²	48	59 Å²	59	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-37.4	177.1	-57.7	0	0	0	0	113.3	W127 E158 S159 L160 A170 G173	W127-S162 WeakPolarHBondContact CH2-O 3.45Å; W127-S162 WeakPolarHBondContact CZ2-O 3.49Å; E158-S162 VanDerWaalsContact O-CB 3.27Å; E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 2.75Å; E158-S162 PolarHBondContact O-OG 2.81Å; S159-S162 PolarHBondContact O-N 2.85Å; L160-S162 VanDerWaalsContact C-N 3.31Å; L160-S162 PolarHBondContact O-N 2.86Å; S162-A170 WeakPolarHBondContact CA-O 3.21Å; S162-A170 PolarHBondContact OG-O 2.78Å; S162-G173 WeakPolarHBondContact OG-CA 3.38Å
163	Q	98.1	Very high	98.1	Very high	99 Å²	99	55.7 Å²	55.7	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-89.3	-36.2	-175.1	-67.2	173.9	95	0	0	113.4	R128 S159 L160	R128-Q163 PolarHBondContact NE-O 2.98Å; S159-Q163 WeakPolarHBondContact O-CG 3.11Å; S159-Q163 PolarHBondContact O-N 3.14Å; S159-Q163 PolarHBondContact O-NE2 2.83Å; L160-Q163 PolarHBondContact O-N 2.88Å
164	F	98.4	Very high	98.2	Very high	58 Å²	58	52.6 Å²	52.6	25%	0.254	27%	0.27	S	S	.	.	H	α-helix	trans	-117.6	-14.9	-165	-55.3	-64.2	0	0	0	114.9	R128 Y146 L160 D166	R128-F164 PolarHBondContact NE-O 2.94Å; R128-F164 PolarHBondContact NH1-O 2.78Å; Y146-F164 HydrophobicContact CE1-CB 4.35Å; Y146-F164 AromaticContact CE1-CD2 3.7Å; Y146-F164 HydrophobicContact CE1-CD2 3.7Å; Y146-F164 HydrophobicContact CE1-CE2 4.18Å; Y146-F164 AromaticContact CE1-CG 3.97Å; Y146-F164 HydrophobicContact CE1-CG 3.97Å; Y146-F164 HydrophobicContact CE2-CB 3.94Å; Y146-F164 HydrophobicContact CE2-CG 4.41Å; Y146-F164 AromaticContact CZ-CD2 3.86Å; Y146-F164 AromaticContact CZ-CG 3.62Å; Y146-F164 WeakPolarHBondContact OH-CB 3.15Å; Y146-F164 VanDerWaalsContact OH-CD1 3.31Å; Y146-F164 WeakPolarHBondContact OH-CD1 3.4Å; Y146-F164 WeakPolarHBondContact OH-CG 3.34Å; L160-F164 HydrophobicContact CB-CD2 4.25Å; L160-F164 HydrophobicContact CD2-CD2 3.72Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 WeakPolarHBondContact O-CB 2.98Å; L160-F164 WeakPolarHBondContact O-CD2 3.41Å; L160-F164 PolarHBondContact O-N 2.84Å; F164-D166 PolarHBondContact O-N 3.02Å
165	S	98.6	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.			trans	-70.9	121.1	-180	-168.7	0	0	0	0	112	L115 W127 R128 A161 C167	L115-S165 PolarHBondContact N-OG 2.84Å; L115-S165 CarbonylContact O-C 3.56Å; L115-S165 WeakPolarHBondContact O-CA 3.34Å; W127-S165 PolarHBondContact NE1-O 3.04Å; R128-S165 WeakPolarHBondContact CD-O 3.44Å; A161-S165 WeakPolarHBondContact O-CB 3.44Å; A161-S165 PolarHBondContact O-N 3.11Å; S165-C167 PolarHBondContact O-N 2.91Å; S165-C167 VanDerWaalsContact O-N 3.11Å
166	D	98.7	Very high	98.3	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	25%	0.249	C	C	.	.	S	Bend	trans	-73.7	10.1	173.4	-76	-37	0	0	0	113.4	L115 K117 S126 R128 R134 F164	L115-D166 HydrophobicContact CG-CB 4.44Å; L115-D166 PolarHBondContact O-N 3.49Å; K117-D166 HydrophobicContact CB-CB 4.17Å; K117-D166 HydrophobicContact CD-CB 3.88Å; K117-D166 HydrophobicContact CG-CB 3.66Å; K117-D166 PolarHBondContact N-OD2 2.75Å; S126-D166 WeakPolarHBondContact CB-O 3.21Å; S126-D166 VanDerWaalsContact CB-OD1 3.25Å; S126-D166 WeakPolarHBondContact CB-OD1 3.36Å; S126-D166 PolarHBondContact OG-OD1 3.39Å; R128-D166 IonicContact CZ-OD1 3.62Å; R128-D166 IonicContact NH1-OD1 3.65Å; R128-D166 PolarHBondContact NH1-OD1 3.28Å; R128-D166 IonicContact NH1-OD2 3.57Å; R134-D166 IonicContact CZ-OD2 3.58Å; R134-D166 IonicContact NH1-OD2 3.67Å; R134-D166 PolarHBondContact NH1-OD2 2.84Å; R134-D166 IonicContact NH2-OD2 2.75Å; F164-D166 PolarHBondContact O-N 3.02Å
167	C	98.1	Very high	98.2	Very high	26 Å²	26	41.7 Å²	41.7	18%	0.176	23%	0.229	C	C	.	.	S	Bend	trans	-97.4	152.1	171.3	-167.5	0	0	0	0	112	H113 L115 W127 S165 S169 A170	H113-C167 WeakPolarHBondContact NE2-CB 3.32Å; H113-C167 PolarHBondContact NE2-SG 3.46Å; L115-C167 HydrophobicContact CB-CB 4.21Å; L115-C167 HydrophobicContact CD2-CB 4.11Å; W127-C167 PolarHBondContact NE1-O 3.12Å; S165-C167 PolarHBondContact O-N 2.91Å; S165-C167 VanDerWaalsContact O-N 3.11Å; C167-S169 WeakPolarHBondContact CB-OG 3.27Å; C167-S169 PolarHBondContact O-N 2.87Å; C167-S169 PolarHBondContact SG-OG 3.39Å; C167-A170 WeakPolarHBondContact O-CB 3.34Å; C167-A170 PolarHBondContact O-N 3.08Å
168	S	97.8	Very high	98.2	Very high	95 Å²	95	46 Å²	46	66%	0.664	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3.1	175.1	51.6	0	0	0	0	114.5	A170 K171	S168-A170 VanDerWaalsContact C-N 3.3Å; S168-K171 WeakPolarHBondContact O-CE 3.48Å; S168-K171 WeakPolarHBondContact O-CG 3.39Å
169	S	98.2	Very high	98.2	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.07	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.7	169.3	50.5	0	0	0	0	113.2	H113 C167 K171 N172 G174	H113-S169 PolarHBondContact CD2-OG 3.06Å; H113-S169 VanDerWaalsContact CD2-OG 3.3Å; H113-S169 PolarHBondContact NE2-OG 3.34Å; C167-S169 WeakPolarHBondContact CB-OG 3.27Å; C167-S169 PolarHBondContact O-N 2.87Å; C167-S169 PolarHBondContact SG-OG 3.39Å; S169-K171 PolarHBondContact O-N 3.05Å; S169-K171 VanDerWaalsContact O-N 3.17Å; S169-N172 CarbonylContact O-C 3.52Å; S169-N172 WeakPolarHBondContact O-CA 3.46Å; S169-N172 PolarHBondContact O-N 2.65Å; S169-G174 WeakPolarHBondContact O-CA 3.36Å; S169-G174 PolarHBondContact O-N 2.98Å
170	A	98.1	Very high	98.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-49.6	-42.4	178	0	0	0	0	0	113	W127 A161 S162 C167 S168 N172 G173	W127-A170 HydrophobicContact CZ2-CB 3.5Å; A161-A170 VanDerWaalsContact O-CB 3.32Å; A161-A170 WeakPolarHBondContact O-CB 3.49Å; S162-A170 WeakPolarHBondContact CA-O 3.21Å; S162-A170 PolarHBondContact OG-O 2.78Å; C167-A170 WeakPolarHBondContact O-CB 3.34Å; C167-A170 PolarHBondContact O-N 3.08Å; S168-A170 VanDerWaalsContact C-N 3.3Å; A170-N172 PolarHBondContact O-N 3.25Å; A170-G173 PolarHBondContact O-N 3.34Å
171	K	97.9	Very high	98.1	Very high	177 Å²	177	44.5 Å²	44.5	77%	0.77	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.8	-16.8	175.8	68.9	-177.7	-175.6	171.8	0	115.4	S168 S169	S168-K171 WeakPolarHBondContact O-CE 3.48Å; S168-K171 WeakPolarHBondContact O-CG 3.39Å; S169-K171 PolarHBondContact O-N 3.05Å; S169-K171 VanDerWaalsContact O-N 3.17Å
172	N	97.8	Very high	98	Very high	96 Å²	96	47.9 Å²	47.9	51%	0.513	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-117	28	178.3	-66.8	3.8	0	0	0	111.5	S169 A170 G174 D175	S169-N172 CarbonylContact O-C 3.52Å; S169-N172 WeakPolarHBondContact O-CA 3.46Å; S169-N172 PolarHBondContact O-N 2.65Å; A170-N172 PolarHBondContact O-N 3.25Å; N172-G174 PolarHBondContact O-N 2.89Å; N172-D175 HydrophobicContact CB-CB 4.34Å; N172-D175 WeakPolarHBondContact O-CB 3.34Å; N172-D175 PolarHBondContact O-N 3.34Å
173	G	97.9	Very high	97.9	Very high	9 Å²	9	51.9 Å²	51.9	9%	0.093	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	20	-176	0	0	0	0	0	114.2	A161 S162 A170	A161-G173 WeakPolarHBondContact CB-O 3.36Å; S162-G173 WeakPolarHBondContact OG-CA 3.38Å; A170-G173 PolarHBondContact O-N 3.34Å
174	G	98.4	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-3.2	-176.9	0	0	0	0	0	115.5	S112 H113 S169 N172 L176	S112-G174 CarbonylContact C-O 3.54Å; S112-G174 WeakPolarHBondContact CA-O 3.31Å; H113-G174 PolarHBondContact N-O 3.36Å; H113-G174 WeakPolarHBondContact O-CA 3.17Å; S169-G174 WeakPolarHBondContact O-CA 3.36Å; S169-G174 PolarHBondContact O-N 2.98Å; N172-G174 PolarHBondContact O-N 2.89Å; G174-L176 PolarHBondContact O-N 2.87Å
175	D	98.6	Very high	97.9	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.1	179.6	179.3	40.6	0	0	0	112.1	R110 N172 G177	R110-D175 IonicContact CZ-OD1 2.65Å; R110-D175 IonicContact CZ-OD2 3.91Å; R110-D175 IonicContact NE-OD1 2.69Å; R110-D175 PolarHBondContact NE-OD1 3.42Å; R110-D175 IonicContact NE-OD2 3.11Å; R110-D175 IonicContact NH2-OD1 3.28Å; R110-D175 IonicContact NH2-OD2 3.82Å; R110-D175 PolarHBondContact NH2-OD2 3.36Å; N172-D175 HydrophobicContact CB-CB 4.34Å; N172-D175 WeakPolarHBondContact O-CB 3.34Å; N172-D175 PolarHBondContact O-N 3.34Å; D175-G177 PolarHBondContact OD1-N 2.94Å
176	L	98.1	Very high	97.8	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.288	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-5.6	174.6	-62.4	178.2	0	0	0	112.6	C111 H113 G174 M184 F188	C111-L176 WeakPolarHBondContact O-CB 3.33Å; C111-L176 PolarHBondContact O-N 3.2Å; H113-L176 HydrophobicContact CB-CD1 4.44Å; G174-L176 PolarHBondContact O-N 2.87Å; L176-M184 HydrophobicContact CB-CE 4.25Å; L176-M184 HydrophobicContact CD1-CE 3.89Å; L176-M184 HydrophobicContact CD1-SD 4.48Å; L176-F188 HydrophobicContact CD1-CE1 3.73Å; L176-F188 HydrophobicContact CD1-CZ 3.48Å; L176-F188 VanDerWaalsContact CD1-CZ 3.48Å
177	G	98.1	Very high	97.8	Very high	21 Å²	21	57.4 Å²	57.4	22%	0.216	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-164.1	-170.5	0	0	0	0	0	112.4	R110 D175	R110-G177 WeakPolarHBondContact CA-O 3.2Å; R110-G177 WeakPolarHBondContact CG-O 3.32Å; D175-G177 PolarHBondContact OD1-N 2.94Å
178	V	98.1	Very high	97.8	Very high	99 Å²	99	56.4 Å²	56.4	60%	0.6	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	130.3	-177.2	179.4	0	0	0	0	110.2	K108 V109 R110	K108-V178 HydrophobicContact CB-CG1 3.74Å; K108-V178 HydrophobicContact CD-CG1 4.03Å; V109-V178 CarbonylContact O-C 3.56Å; V109-V178 VanDerWaalsContact O-CA 3.3Å; V109-V178 WeakPolarHBondContact O-CA 3.48Å; R110-V178 HydrophobicContact CB-CG2 4.09Å; R110-V178 HydrophobicContact CG-CG2 4.27Å
179	F	98.3	Very high	97.8	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.022	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.5	176.6	59.2	-88	0	0	0	112.7	K108 V109 C111 Q183 M184 F188 F193	K108-F179 CarbonylContact C-O 3.57Å; K108-F179 VanDerWaalsContact CA-O 3.24Å; K108-F179 WeakPolarHBondContact CA-O 3.04Å; K108-F179 WeakPolarHBondContact CB-O 3.33Å; V109-F179 HydrophobicContact CG2-CD2 4.17Å; V109-F179 HydrophobicContact CG2-CE1 4.16Å; V109-F179 HydrophobicContact CG2-CE2 3.63Å; V109-F179 HydrophobicContact CG2-CZ 3.63Å; V109-F179 PolarHBondContact N-O 3.03Å; V109-F179 PolarHBondContact O-N 2.98Å; C111-F179 HydrophobicContact CB-CE1 3.92Å; C111-F179 HydrophobicContact CB-CZ 4.13Å; F179-Q183 VanDerWaalsContact CA-OE1 3.26Å; F179-Q183 HydrophobicContact CB-CB 4.32Å; F179-M184 HydrophobicContact CB-CE 4.14Å; F179-M184 HydrophobicContact CD1-CE 3.58Å; F179-M184 HydrophobicContact CD2-CE 4.16Å; F179-M184 HydrophobicContact CD2-CG 3.6Å; F179-M184 HydrophobicContact CE1-CE 3.94Å; F179-M184 HydrophobicContact CE2-CE 4.47Å; F179-M184 HydrophobicContact CE2-CG 3.63Å; F179-M184 HydrophobicContact CG-CE 3.7Å; F179-M184 HydrophobicContact CG-CG 4.12Å; F179-M184 HydrophobicContact CZ-CE 4.37Å; F179-M184 HydrophobicContact CZ-CG 4.17Å; F179-F188 AromaticContact CZ-CE1 3.95Å; F179-F188 HydrophobicContact CZ-CE1 3.95Å; F179-F193 HydrophobicContact CD2-CE2 4.16Å; F179-F193 AromaticContact CE2-CE2 3.96Å; F179-F193 HydrophobicContact CE2-CE2 3.96Å
180	G	97.4	Very high	97.8	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	175.3	171.5	0	0	0	0	0	112.4	Q183	G180-Q183 WeakPolarHBondContact O-CB 3.29Å; G180-Q183 PolarHBondContact O-N 3.39Å
181	R	95.4	Very high	97.7	Very high	91 Å²	91	54 Å²	54	34%	0.343	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	150.2	170.6	-66.9	-169.7	171.3	-83.7	8.3	111.2	E105 Q183 E189 D190 F193	E105-R181 IonicContact OE1-NH2 3.62Å; E105-R181 PolarHBondContact OE1-NH2 2.97Å; E105-R181 IonicContact OE2-CZ 2.87Å; E105-R181 IonicContact OE2-NE 2.77Å; E105-R181 PolarHBondContact OE2-NE 3.22Å; E105-R181 IonicContact OE2-NH2 3.84Å; E105-R181 PolarHBondContact OE2-NH2 3.16Å; R181-Q183 VanDerWaalsContact C-N 3.31Å; R181-E189 WeakPolarHBondContact CA-OE2 3.33Å; R181-E189 HydrophobicContact CG-CG 4.12Å; R181-E189 IonicContact CZ-OE1 3.9Å; R181-E189 IonicContact NH1-OE1 2.9Å; R181-E189 PolarHBondContact NH1-OE1 2.75Å; R181-D190 IonicContact CZ-OD1 3.42Å; R181-D190 IonicContact NH1-OD1 3.53Å; R181-D190 PolarHBondContact NH1-OD1 3.07Å; R181-F193 HydrophobicContact CG-CD1 4.16Å; R181-F193 HydrophobicContact CG-CD2 4.36Å; R181-F193 HydrophobicContact CG-CE1 3.8Å; R181-F193 HydrophobicContact CG-CE2 4.01Å; R181-F193 HydrophobicContact CG-CG 4.45Å; R181-F193 HydrophobicContact CG-CZ 3.74Å
182	G	96.8	Very high	97.7	Very high	71 Å²	71	45.6 Å²	45.6	73%	0.732	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-5.9	-174.5	0	0	0	0	0	115.3	E189	G182-E189 PolarHBondContact N-OE2 3.3Å
183	Q	97.1	Very high	97.6	Very high	132 Å²	132	41.4 Å²	41.4	62%	0.617	23%	0.234	S	C	*	.	S	Bend	trans	-97	-14.7	-176.6	-59.8	-169.5	-49.3	0	0	114.4	F179 G180 R181	F179-Q183 VanDerWaalsContact CA-OE1 3.26Å; F179-Q183 HydrophobicContact CB-CB 4.32Å; G180-Q183 WeakPolarHBondContact O-CB 3.29Å; G180-Q183 PolarHBondContact O-N 3.39Å; R181-Q183 VanDerWaalsContact C-N 3.31Å
184	M	97.9	Very high	97.4	Very high	58 Å²	58	42.4 Å²	42.4	29%	0.286	24%	0.242	S	C	.	.	S	Bend	trans	-120.8	167.6	-179.6	-65.5	-63.9	176.1	0	0	111.2	L176 F179 F188 E189	L176-M184 HydrophobicContact CB-CE 4.25Å; L176-M184 HydrophobicContact CD1-CE 3.89Å; L176-M184 HydrophobicContact CD1-SD 4.48Å; F179-M184 HydrophobicContact CB-CE 4.14Å; F179-M184 HydrophobicContact CD1-CE 3.58Å; F179-M184 HydrophobicContact CD2-CE 4.16Å; F179-M184 HydrophobicContact CD2-CG 3.6Å; F179-M184 HydrophobicContact CE1-CE 3.94Å; F179-M184 HydrophobicContact CE2-CE 4.47Å; F179-M184 HydrophobicContact CE2-CG 3.63Å; F179-M184 HydrophobicContact CG-CE 3.7Å; F179-M184 HydrophobicContact CG-CG 4.12Å; F179-M184 HydrophobicContact CZ-CE 4.37Å; F179-M184 HydrophobicContact CZ-CG 4.17Å; M184-F188 HydrophobicContact CB-CD1 3.89Å; M184-F188 HydrophobicContact CG-CD1 3.89Å; M184-F188 HydrophobicContact CG-CE1 4.24Å; M184-F188 HydrophobicContact SD-CD1 4.28Å; M184-F188 HydrophobicContact SD-CE1 4.32Å; M184-E189 HydrophobicContact CB-CB 4.34Å
185	Q	98.1	Very high	97.2	Very high	43 Å²	43	42.6 Å²	42.6	20%	0.201	24%	0.242	C	C	.	.			trans	-66.3	139.8	171.7	-64	-167.8	-0.1	0	0	109.9	R122 F188 E189 T206 S208	R122-Q185 VanDerWaalsContact NE-NE2 3.18Å; Q185-F188 WeakPolarHBondContact O-CA 3.4Å; Q185-F188 VanDerWaalsContact O-CB 3.3Å; Q185-F188 WeakPolarHBondContact O-CB 3.39Å; Q185-F188 PolarHBondContact O-N 3.2Å; Q185-E189 PolarHBondContact O-N 2.83Å; Q185-T206 PolarHBondContact OE1-OG1 3.04Å; Q185-S208 PolarHBondContact NE2-OG 3.47Å
186	K	97.8	Very high	96.9	Very high	110 Å²	110	43.8 Å²	43.8	48%	0.478	25%	0.246	S	C	.	.	H	α-helix	trans	-53	-44.3	-165.5	-169.2	51.5	168.8	156.2	0	115.3	F188 E189 D190	K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.46Å; K186-E189 IonicContact NZ-OE1 2.74Å; K186-E189 PolarHBondContact NZ-OE1 2.5Å; K186-E189 PolarHBondContact O-N 3.08Å; K186-D190 WeakPolarHBondContact CD-OD2 3.46Å; K186-D190 WeakPolarHBondContact CE-OD2 3.49Å; K186-D190 WeakPolarHBondContact CG-OD2 3.42Å; K186-D190 VanDerWaalsContact NZ-CG 3.28Å; K186-D190 IonicContact NZ-OD1 2.7Å; K186-D190 PolarHBondContact NZ-OD1 3.22Å; K186-D190 IonicContact NZ-OD2 2.93Å; K186-D190 PolarHBondContact NZ-OD2 3.25Å; K186-D190 VanDerWaalsContact NZ-OD2 3.11Å; K186-D190 PolarHBondContact O-N 2.89Å
187	P	98.1	Very high	96.8	Very high	65 Å²	65	45.3 Å²	45.3	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-30.9	176.1	-20.7	33.4	0	0	0	113.8	A191 V204 F205	P187-A191 WeakPolarHBondContact O-CB 3.24Å; P187-A191 PolarHBondContact O-N 3.39Å; P187-V204 HydrophobicContact CB-CG1 4.3Å; P187-V204 WeakPolarHBondContact O-CG1 3.29Å; P187-F205 WeakPolarHBondContact CB-O 3.3Å
188	F	98.6	Very high	96.7	Very high	6 Å²	6	47 Å²	47	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-72.5	-44.4	174.7	-169.8	-81.5	0	0	0	110.8	H113 L176 F179 M184 Q185 K186 S192 T206 H211 I213	H113-F188 HydrophobicContact CB-CE2 3.79Å; H113-F188 HydrophobicContact CB-CZ 3.83Å; H113-F188 AromaticContact CG-CE2 3.95Å; H113-F188 AromaticContact ND1-CE2 3.33Å; H113-F188 VanDerWaalsContact ND1-CE2 3.33Å; H113-F188 WeakPolarHBondContact ND1-CE2 3.31Å; H113-F188 AromaticContact ND1-CZ 3.65Å; L176-F188 HydrophobicContact CD1-CE1 3.73Å; L176-F188 HydrophobicContact CD1-CZ 3.48Å; L176-F188 VanDerWaalsContact CD1-CZ 3.48Å; F179-F188 AromaticContact CZ-CE1 3.95Å; F179-F188 HydrophobicContact CZ-CE1 3.95Å; M184-F188 HydrophobicContact CB-CD1 3.89Å; M184-F188 HydrophobicContact CG-CD1 3.89Å; M184-F188 HydrophobicContact CG-CE1 4.24Å; M184-F188 HydrophobicContact SD-CD1 4.28Å; M184-F188 HydrophobicContact SD-CE1 4.32Å; Q185-F188 WeakPolarHBondContact O-CA 3.4Å; Q185-F188 VanDerWaalsContact O-CB 3.3Å; Q185-F188 WeakPolarHBondContact O-CB 3.39Å; Q185-F188 PolarHBondContact O-N 3.2Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.46Å; F188-S192 WeakPolarHBondContact CE1-OG 3.49Å; F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.29Å; F188-S192 PolarHBondContact O-N 3Å; F188-S192 PolarHBondContact O-OG 3.23Å; F188-T206 HydrophobicContact CB-CG2 4.01Å; F188-H211 HydrophobicContact CD2-CB 4.32Å; F188-H211 AromaticContact CD2-CG 4Å; F188-H211 AromaticContact CD2-ND1 3.83Å; F188-H211 HydrophobicContact CE2-CB 4.32Å; F188-H211 AromaticContact CE2-CE1 3.56Å; F188-H211 AromaticContact CE2-ND1 3.75Å; F188-I213 HydrophobicContact CD1-CD1 4.2Å; F188-I213 HydrophobicContact CD2-CD1 3.46Å; F188-I213 VanDerWaalsContact CD2-CD1 3.46Å; F188-I213 HydrophobicContact CD2-CG1 3.97Å; F188-I213 HydrophobicContact CE1-CD1 4.25Å; F188-I213 HydrophobicContact CE2-CD1 3.5Å; F188-I213 HydrophobicContact CE2-CG1 3.54Å; F188-I213 HydrophobicContact CG-CD1 3.81Å; F188-I213 HydrophobicContact CZ-CD1 3.91Å; F188-I213 HydrophobicContact CZ-CG1 4Å; F188-I213 HydrophobicContact CZ-CG2 4.16Å
189	E	97.8	Very high	96.5	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-55.2	174.3	-179.6	-170.2	113.4	0	0	111.3	R181 G182 M184 Q185 K186 A191 S192 F193	R181-E189 WeakPolarHBondContact CA-OE2 3.33Å; R181-E189 HydrophobicContact CG-CG 4.12Å; R181-E189 IonicContact CZ-OE1 3.9Å; R181-E189 IonicContact NH1-OE1 2.9Å; R181-E189 PolarHBondContact NH1-OE1 2.75Å; G182-E189 PolarHBondContact N-OE2 3.3Å; M184-E189 HydrophobicContact CB-CB 4.34Å; Q185-E189 PolarHBondContact O-N 2.83Å; K186-E189 IonicContact NZ-OE1 2.74Å; K186-E189 PolarHBondContact NZ-OE1 2.5Å; K186-E189 PolarHBondContact O-N 3.08Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.23Å; E189-S192 WeakPolarHBondContact O-CB 3.18Å; E189-S192 PolarHBondContact O-N 2.86Å; E189-F193 HydrophobicContact CG-CD2 3.89Å; E189-F193 HydrophobicContact CG-CE2 4.01Å; E189-F193 VanDerWaalsContact O-CD2 3.31Å; E189-F193 WeakPolarHBondContact O-CD2 3.34Å; E189-F193 PolarHBondContact O-N 2.9Å
190	D	96.6	Very high	96.5	Very high	46 Å²	46	45.8 Å²	45.8	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-37.5	-173.7	-69.3	-35.6	0	0	0	112	I89 R181 K186 A194	I89-D190 VanDerWaalsContact CG2-C 3.45Å; I89-D190 HydrophobicContact CG2-CB 3.72Å; I89-D190 VanDerWaalsContact CG2-O 3.32Å; I89-D190 WeakPolarHBondContact CG2-O 3.38Å; R181-D190 IonicContact CZ-OD1 3.42Å; R181-D190 IonicContact NH1-OD1 3.53Å; R181-D190 PolarHBondContact NH1-OD1 3.07Å; K186-D190 WeakPolarHBondContact CD-OD2 3.46Å; K186-D190 WeakPolarHBondContact CE-OD2 3.49Å; K186-D190 WeakPolarHBondContact CG-OD2 3.42Å; K186-D190 VanDerWaalsContact NZ-CG 3.28Å; K186-D190 IonicContact NZ-OD1 2.7Å; K186-D190 PolarHBondContact NZ-OD1 3.22Å; K186-D190 IonicContact NZ-OD2 2.93Å; K186-D190 PolarHBondContact NZ-OD2 3.25Å; K186-D190 VanDerWaalsContact NZ-OD2 3.11Å; K186-D190 PolarHBondContact O-N 2.89Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 3.27Å; D190-A194 VanDerWaalsContact O-N 3.08Å
191	A	97.3	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-46.9	169.6	0	0	0	0	0	112.2	T90 P187 E189 F193 A194 L195 V204 I213	T90-A191 HydrophobicContact CG2-CB 4.49Å; T90-A191 WeakPolarHBondContact CG2-O 3.4Å; P187-A191 WeakPolarHBondContact O-CB 3.24Å; P187-A191 PolarHBondContact O-N 3.39Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.23Å; A191-F193 PolarHBondContact O-N 3Å; A191-A194 PolarHBondContact O-N 3.25Å; A191-L195 WeakPolarHBondContact O-CG 3.49Å; A191-L195 PolarHBondContact O-N 2.89Å; A191-L195 VanDerWaalsContact O-N 3.16Å; A191-V204 HydrophobicContact CB-CG1 4.18Å; A191-V204 HydrophobicContact CB-CG2 3.69Å; A191-I213 HydrophobicContact CB-CD1 3.8Å
192	S	97.4	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-38.3	180	-71.8	0	0	0	0	114.1	F188 E189	F188-S192 WeakPolarHBondContact CE1-OG 3.49Å; F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.29Å; F188-S192 PolarHBondContact O-N 3Å; F188-S192 PolarHBondContact O-OG 3.23Å; E189-S192 WeakPolarHBondContact O-CB 3.18Å; E189-S192 PolarHBondContact O-N 2.86Å
193	F	95.7	Very high	96.7	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-81.8	-24.4	179.6	-78.1	-106.6	0	0	0	112.7	P106 V109 F179 R181 E189 A191	P106-F193 HydrophobicContact CG-CD1 4.1Å; P106-F193 HydrophobicContact CG-CE1 4.49Å; P106-F193 WeakPolarHBondContact O-CD1 3.34Å; P106-F193 WeakPolarHBondContact O-CE1 3.45Å; V109-F193 HydrophobicContact CG1-CD1 4.06Å; V109-F193 HydrophobicContact CG1-CD2 4.45Å; V109-F193 HydrophobicContact CG1-CE1 4.11Å; V109-F193 HydrophobicContact CG1-CG 4.23Å; V109-F193 HydrophobicContact CG1-CZ 4.32Å; V109-F193 HydrophobicContact CG2-CD2 3.99Å; V109-F193 HydrophobicContact CG2-CE2 3.7Å; V109-F193 HydrophobicContact CG2-CZ 4.02Å; F179-F193 HydrophobicContact CD2-CE2 4.16Å; F179-F193 AromaticContact CE2-CE2 3.96Å; F179-F193 HydrophobicContact CE2-CE2 3.96Å; R181-F193 HydrophobicContact CG-CD1 4.16Å; R181-F193 HydrophobicContact CG-CD2 4.36Å; R181-F193 HydrophobicContact CG-CE1 3.8Å; R181-F193 HydrophobicContact CG-CE2 4.01Å; R181-F193 HydrophobicContact CG-CG 4.45Å; R181-F193 HydrophobicContact CG-CZ 3.74Å; E189-F193 HydrophobicContact CG-CD2 3.89Å; E189-F193 HydrophobicContact CG-CE2 4.01Å; E189-F193 VanDerWaalsContact O-CD2 3.31Å; E189-F193 WeakPolarHBondContact O-CD2 3.34Å; E189-F193 PolarHBondContact O-N 2.9Å; A191-F193 PolarHBondContact O-N 3Å
194	A	94.1	Very high	96.8	Very high	30 Å²	30	33.2 Å²	33.2	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-82.8	-13.5	175.2	0	0	0	0	0	114.6	I89 T90 D190 A191	I89-A194 HydrophobicContact CB-CB 4.14Å; I89-A194 HydrophobicContact CD1-CB 4.33Å; I89-A194 HydrophobicContact CG2-CB 3.96Å; T90-A194 HydrophobicContact CG2-CB 3.72Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 3.27Å; D190-A194 VanDerWaalsContact O-N 3.08Å; A191-A194 PolarHBondContact O-N 3.25Å
195	L	94.2	Very high	96.8	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	-76.6	144.8	169.3	-70.6	170.2	0	0	0	111.3	T90 A191 D199 I213 R215	T90-L195 HydrophobicContact CG2-CD2 3.89Å; T90-L195 HydrophobicContact CG2-CG 3.9Å; A191-L195 WeakPolarHBondContact O-CG 3.49Å; A191-L195 PolarHBondContact O-N 2.89Å; A191-L195 VanDerWaalsContact O-N 3.16Å; L195-D199 HydrophobicContact CB-CB 4.14Å; L195-D199 HydrophobicContact CD2-CB 3.61Å; L195-D199 HydrophobicContact CG-CB 4.44Å; L195-I213 HydrophobicContact CD1-CB 4.06Å; L195-I213 HydrophobicContact CD1-CG2 3.92Å; L195-R215 HydrophobicContact CB-CB 3.85Å; L195-R215 HydrophobicContact CD1-CB 4.24Å; L195-R215 WeakPolarHBondContact O-CD 3.37Å; L195-R215 PolarHBondContact O-NH1 3.28Å
196	K	92.9	Very high	96.8	Very high	57 Å²	57	32.8 Å²	32.8	25%	0.248	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-82.4	165.4	163.7	-54.5	164.4	-178.9	168.7	0	110.4	V99 G198 D199 R215	V99-K196 VanDerWaalsContact O-CE 3.29Å; V99-K196 WeakPolarHBondContact O-CE 2.96Å; V99-K196 PolarHBondContact O-NZ 3.17Å; K196-G198 PolarHBondContact O-N 3.23Å; K196-D199 WeakPolarHBondContact CB-OD2 3.31Å; K196-D199 WeakPolarHBondContact CD-OD2 3.45Å; K196-D199 VanDerWaalsContact CG-OD2 3.31Å; K196-D199 WeakPolarHBondContact CG-OD2 3.48Å; K196-D199 PolarHBondContact N-OD2 3.11Å; K196-D199 WeakPolarHBondContact O-CB 3.46Å; K196-D199 PolarHBondContact O-N 2.96Å; K196-R215 WeakPolarHBondContact O-CB 3.48Å
197	V	95.3	Very high	96.8	Very high	87 Å²	87	32.9 Å²	32.9	53%	0.527	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	120.9	172.4	-175.5	0	0	0	0	109.4	G217	V197-G217 VanDerWaalsContact CG2-OXT 3.29Å; V197-G217 WeakPolarHBondContact CG2-OXT 3.17Å
198	G	95.4	Very high	96.9	Very high	55 Å²	55	30.3 Å²	30.3	57%	0.567	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.8	-17.9	-172.5	0	0	0	0	0	114.7	K196 R215	K196-G198 PolarHBondContact O-N 3.23Å; G198-R215 PolarHBondContact N-O 2.96Å
199	D	95.1	Very high	96.8	Very high	45 Å²	45	30 Å²	30	24%	0.241	18%	0.178	C	C	.	.			trans	-77.7	146.9	-178.9	-66.6	-11.7	0	0	0	111.8	L195 K196 R215	L195-D199 HydrophobicContact CB-CB 4.14Å; L195-D199 HydrophobicContact CD2-CB 3.61Å; L195-D199 HydrophobicContact CG-CB 4.44Å; K196-D199 WeakPolarHBondContact CB-OD2 3.31Å; K196-D199 WeakPolarHBondContact CD-OD2 3.45Å; K196-D199 VanDerWaalsContact CG-OD2 3.31Å; K196-D199 WeakPolarHBondContact CG-OD2 3.48Å; K196-D199 PolarHBondContact N-OD2 3.11Å; K196-D199 WeakPolarHBondContact O-CB 3.46Å; K196-D199 PolarHBondContact O-N 2.96Å; D199-R215 PolarHBondContact O-N 2.96Å; D199-R215 VanDerWaalsContact O-N 3.08Å
200	M	97.3	Very high	96.9	Very high	35 Å²	35	29.6 Å²	29.6	17%	0.172	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-114.5	137.3	174.1	-170.8	179.1	71.4	0	0	111.3	I147 I150 K151 F157 I212 I213 L214	I147-M200 HydrophobicContact CB-CE 4.48Å; I147-M200 HydrophobicContact CG1-CE 4.39Å; I147-M200 HydrophobicContact CG2-CE 4.1Å; I150-M200 HydrophobicContact CB-CE 4.22Å; I150-M200 HydrophobicContact CB-SD 4.34Å; I150-M200 HydrophobicContact CD1-SD 3.89Å; I150-M200 HydrophobicContact CG2-CE 3.97Å; I150-M200 HydrophobicContact CG2-SD 3.82Å; K151-M200 HydrophobicContact CG-CE 4.35Å; F157-M200 HydrophobicContact CD2-CG 4.42Å; F157-M200 HydrophobicContact CD2-SD 3.77Å; F157-M200 HydrophobicContact CE2-CG 4.28Å; F157-M200 HydrophobicContact CE2-SD 4.06Å; M200-I212 HydrophobicContact CE-CG2 4.47Å; M200-I212 HydrophobicContact CG-CG2 3.52Å; M200-I212 HydrophobicContact SD-CG2 3.67Å; M200-I213 CarbonylContact C-O 3.58Å; M200-I213 WeakPolarHBondContact CA-O 3.11Å; M200-L214 HydrophobicContact CB-CD1 4.37Å
201	S	98.2	Very high	97	Very high	3 Å²	3	28 Å²	28	2%	0.021	17%	0.167	C	C	.	.			trans	-71	165.5	177.1	76.8	0	0	0	0	112.9	T90 I213	T90-S201 WeakPolarHBondContact O-CB 3.37Å; S201-I213 PolarHBondContact N-O 2.69Å; S201-I213 PolarHBondContact OG-N 3.28Å
202	G	97.6	Very high	97.1	Very high	6 Å²	6	28 Å²	28	6%	0.062	17%	0.167	C	C	.	.	S	Bend	trans	-77.6	-162.5	153.6	0	0	0	0	0	111.7	T90 N91 V204	T90-G202 PolarHBondContact O-N 2.91Å; N91-G202 WeakPolarHBondContact O-CA 3.36Å; G202-V204 PolarHBondContact O-N 2.77Å
203	P	98.4	Very high	97.1	Very high	25 Å²	25	28 Å²	28	16%	0.162	17%	0.167	C	C	.	.			trans	-66.3	116.8	175.2	-16.5	30.2	0	0	0	111.3	N91 L140 I143 I147 F205 V210	N91-P203 PolarHBondContact ND2-O 2.87Å; L140-P203 HydrophobicContact CD1-CB 3.61Å; L140-P203 HydrophobicContact CD1-CG 3.7Å; I143-P203 HydrophobicContact CG2-CB 3.84Å; I143-P203 HydrophobicContact CG2-CG 3.98Å; I147-P203 HydrophobicContact CD1-CG 4.02Å; P203-F205 HydrophobicContact CB-CE2 4.45Å; P203-V210 HydrophobicContact CB-CG1 3.96Å
204	V	98.6	Very high	97.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.7	176	178.6	0	0	0	0	109.4	P187 A191 G202 T206 H211 I213	P187-V204 HydrophobicContact CB-CG1 4.3Å; P187-V204 WeakPolarHBondContact O-CG1 3.29Å; A191-V204 HydrophobicContact CB-CG1 4.18Å; A191-V204 HydrophobicContact CB-CG2 3.69Å; G202-V204 PolarHBondContact O-N 2.77Å; V204-T206 HydrophobicContact CG1-CG2 4.44Å; V204-H211 HydrophobicContact CB-CB 4.36Å; V204-H211 PolarHBondContact N-O 3.32Å; V204-H211 PolarHBondContact O-CD2 2.73Å; V204-H211 PolarHBondContact O-N 3.01Å; V204-I213 HydrophobicContact CB-CD1 4.29Å; V204-I213 HydrophobicContact CG1-CD1 4.29Å; V204-I213 HydrophobicContact CG2-CD1 4.06Å; V204-I213 HydrophobicContact CG2-CG1 4.39Å
205	F	98.4	Very high	97.5	Very high	74 Å²	74	28.5 Å²	28.5	33%	0.325	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.7	-177.4	-64.1	-86.1	0	0	0	111.6	K136 L140 P187 P203 V210	K136-F205 VanDerWaalsContact CE-CD1 3.43Å; L140-F205 HydrophobicContact CD1-CZ 3.9Å; L140-F205 HydrophobicContact CD2-CZ 4.18Å; L140-F205 HydrophobicContact CG-CZ 4.47Å; P187-F205 WeakPolarHBondContact CB-O 3.3Å; P203-F205 HydrophobicContact CB-CE2 4.45Å; F205-V210 HydrophobicContact CD1-CB 4.48Å; F205-V210 HydrophobicContact CD1-CG1 4.22Å; F205-V210 HydrophobicContact CD1-CG2 3.76Å; F205-V210 HydrophobicContact CE1-CB 4.47Å; F205-V210 HydrophobicContact CE1-CG1 4.01Å; F205-V210 HydrophobicContact CE1-CG2 3.66Å; F205-V210 HydrophobicContact CZ-CG1 4.44Å
206	T	98.6	Very high	97.6	Very high	18 Å²	18	31.1 Å²	31.1	11%	0.11	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	171	174.4	86.2	0	0	0	0	110.4	Q185 F188 V204 S208 G209	Q185-T206 PolarHBondContact OE1-OG1 3.04Å; F188-T206 HydrophobicContact CB-CG2 4.01Å; V204-T206 HydrophobicContact CG1-CG2 4.44Å; T206-S208 PolarHBondContact O-N 2.93Å; T206-S208 WeakPolarHBondContact OG1-CB 3.44Å; T206-S208 PolarHBondContact OG1-N 3.26Å; T206-G209 PolarHBondContact N-O 3.23Å; T206-G209 PolarHBondContact O-N 3.3Å; T206-G209 VanDerWaalsContact O-O 3.1Å
207	D	98.2	Very high	97.6	Very high	112 Å²	112	30.5 Å²	30.5	60%	0.599	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	173.7	-55.2	-30.1	0	0	0	112.1	R122	R122-D207 HydrophobicContact CB-CB 4.26Å; R122-D207 WeakPolarHBondContact CB-O 3.31Å; R122-D207 HydrophobicContact CG-CB 4.35Å; R122-D207 WeakPolarHBondContact CG-O 3.38Å; R122-D207 PolarHBondContact N-O 2.93Å
208	S	98.4	Very high	97.7	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.084	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.6	177	-54.8	0	0	0	0	113.5	K117 S121 R122 Q185 T206	K117-S208 WeakPolarHBondContact CG-O 3.44Å; S121-S208 WeakPolarHBondContact CB-O 3.42Å; S121-S208 PolarHBondContact OG-O 3.08Å; R122-S208 PolarHBondContact NE-OG 2.95Å; R122-S208 PolarHBondContact NH2-OG 2.75Å; Q185-S208 PolarHBondContact NE2-OG 3.47Å; T206-S208 PolarHBondContact O-N 2.93Å; T206-S208 WeakPolarHBondContact OG1-CB 3.44Å; T206-S208 PolarHBondContact OG1-N 3.26Å
209	G	98.5	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.2	-154.2	-173.8	0	0	0	0	0	112.6	T206 H211	T206-G209 PolarHBondContact N-O 3.23Å; T206-G209 PolarHBondContact O-N 3.3Å; T206-G209 VanDerWaalsContact O-O 3.1Å; G209-H211 PolarHBondContact O-CD2 2.82Å
210	V	98.8	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.5	178.6	-165.7	0	0	0	0	109.5	L115 V116 A139 I143 P203 F205	L115-V210 WeakPolarHBondContact CA-O 3.4Å; L115-V210 WeakPolarHBondContact CD1-O 3.39Å; V116-V210 PolarHBondContact N-O 3.13Å; V116-V210 PolarHBondContact O-N 3.48Å; A139-V210 HydrophobicContact CB-CG2 4.17Å; I143-V210 HydrophobicContact CB-CG1 4.16Å; I143-V210 HydrophobicContact CD1-CG1 4.49Å; I143-V210 HydrophobicContact CG1-CB 3.96Å; I143-V210 HydrophobicContact CG1-CG1 3.82Å; I143-V210 HydrophobicContact CG2-CG1 4.08Å; P203-V210 HydrophobicContact CB-CG1 3.96Å; F205-V210 HydrophobicContact CD1-CB 4.48Å; F205-V210 HydrophobicContact CD1-CG1 4.22Å; F205-V210 HydrophobicContact CD1-CG2 3.76Å; F205-V210 HydrophobicContact CE1-CB 4.47Å; F205-V210 HydrophobicContact CE1-CG1 4.01Å; F205-V210 HydrophobicContact CE1-CG2 3.66Å; F205-V210 HydrophobicContact CZ-CG1 4.44Å
211	H	98.8	Very high	98	Very high	12 Å²	12	24.6 Å²	24.6	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.1	-173.9	-58.8	-105.9	0	0	0	112.7	H113 L114 F188 V204 G209 I213	H113-H211 AromaticContact CE1-CE1 3.2Å; H113-H211 PolarHBondContact CE1-CE1 2.8Å; H113-H211 AromaticContact CE1-ND1 3.88Å; H113-H211 AromaticContact CE1-NE2 3.46Å; H113-H211 PolarHBondContact CE1-NE2 2.79Å; H113-H211 AromaticContact CG-CE1 3.27Å; H113-H211 AromaticContact ND1-CE1 2.5Å; H113-H211 PolarHBondContact ND1-CE1 2.78Å; H113-H211 AromaticContact ND1-ND1 3.31Å; H113-H211 PolarHBondContact ND1-ND1 2.77Å; H113-H211 AromaticContact ND1-NE2 3.58Å; L114-H211 CarbonylContact O-C 3.54Å; L114-H211 VanDerWaalsContact O-CA 3.26Å; L114-H211 WeakPolarHBondContact O-CA 3.37Å; F188-H211 HydrophobicContact CD2-CB 4.32Å; F188-H211 AromaticContact CD2-CG 4Å; F188-H211 AromaticContact CD2-ND1 3.83Å; F188-H211 HydrophobicContact CE2-CB 4.32Å; F188-H211 AromaticContact CE2-CE1 3.56Å; F188-H211 AromaticContact CE2-ND1 3.75Å; V204-H211 HydrophobicContact CB-CB 4.36Å; V204-H211 PolarHBondContact N-O 3.32Å; V204-H211 PolarHBondContact O-CD2 2.73Å; V204-H211 PolarHBondContact O-N 3.01Å; G209-H211 PolarHBondContact O-CD2 2.82Å; H211-I213 HydrophobicContact CB-CG1 4.43Å
212	I	98.6	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.8	151.3	-42.9	168.2	0	0	0	107.1	H113 L114 I143 I147 I150 F157 M200	H113-I212 CarbonylContact C-O 3.51Å; H113-I212 WeakPolarHBondContact CA-O 3.33Å; H113-I212 WeakPolarHBondContact CB-O 3.46Å; L114-I212 HydrophobicContact CB-CB 4.42Å; L114-I212 HydrophobicContact CB-CD1 4.43Å; L114-I212 HydrophobicContact CD1-CD1 4.38Å; L114-I212 PolarHBondContact N-O 3.4Å; L114-I212 PolarHBondContact O-N 3.49Å; I143-I212 HydrophobicContact CD1-CD1 4.28Å; I143-I212 HydrophobicContact CD1-CG1 3.76Å; I143-I212 HydrophobicContact CG2-CD1 4.44Å; I143-I212 HydrophobicContact CG2-CG1 3.84Å; I147-I212 HydrophobicContact CD1-CG1 4.25Å; I147-I212 HydrophobicContact CG1-CD1 3.68Å; I147-I212 HydrophobicContact CG1-CG1 3.9Å; I147-I212 HydrophobicContact CG1-CG2 4.2Å; I150-I212 HydrophobicContact CD1-CD1 4.49Å; F157-I212 HydrophobicContact CE2-CB 4.11Å; F157-I212 HydrophobicContact CE2-CG2 3.82Å; M200-I212 HydrophobicContact CE-CG2 4.47Å; M200-I212 HydrophobicContact CG-CG2 3.52Å; M200-I212 HydrophobicContact SD-CG2 3.67Å
213	I	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.7	179.5	-47.7	-177.5	0	0	0	108.2	C111 F188 A191 L195 M200 S201 V204 H211	C111-I213 HydrophobicContact CB-CG2 3.83Å; F188-I213 HydrophobicContact CD1-CD1 4.2Å; F188-I213 HydrophobicContact CD2-CD1 3.46Å; F188-I213 VanDerWaalsContact CD2-CD1 3.46Å; F188-I213 HydrophobicContact CD2-CG1 3.97Å; F188-I213 HydrophobicContact CE1-CD1 4.25Å; F188-I213 HydrophobicContact CE2-CD1 3.5Å; F188-I213 HydrophobicContact CE2-CG1 3.54Å; F188-I213 HydrophobicContact CG-CD1 3.81Å; F188-I213 HydrophobicContact CZ-CD1 3.91Å; F188-I213 HydrophobicContact CZ-CG1 4Å; F188-I213 HydrophobicContact CZ-CG2 4.16Å; A191-I213 HydrophobicContact CB-CD1 3.8Å; L195-I213 HydrophobicContact CD1-CB 4.06Å; L195-I213 HydrophobicContact CD1-CG2 3.92Å; M200-I213 CarbonylContact C-O 3.58Å; M200-I213 WeakPolarHBondContact CA-O 3.11Å; S201-I213 PolarHBondContact N-O 2.69Å; S201-I213 PolarHBondContact OG-N 3.28Å; V204-I213 HydrophobicContact CB-CD1 4.29Å; V204-I213 HydrophobicContact CG1-CD1 4.29Å; V204-I213 HydrophobicContact CG2-CD1 4.06Å; V204-I213 HydrophobicContact CG2-CG1 4.39Å; H211-I213 HydrophobicContact CB-CG1 4.43Å
214	L	98.5	Very high	98	Very high	26 Å²	26	27.4 Å²	27.4	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.8	170.7	170.9	63.4	0	0	0	108	C111 S112 F157 M200 T216	C111-L214 CarbonylContact C-O 3.54Å; C111-L214 VanDerWaalsContact CA-O 3.24Å; C111-L214 WeakPolarHBondContact CA-O 3.4Å; S112-L214 PolarHBondContact N-O 2.93Å; S112-L214 PolarHBondContact O-N 2.93Å; F157-L214 HydrophobicContact CB-CD2 3.87Å; F157-L214 HydrophobicContact CD1-CB 4.24Å; F157-L214 HydrophobicContact CD1-CD2 3.95Å; F157-L214 HydrophobicContact CD2-CB 3.78Å; F157-L214 HydrophobicContact CD2-CD2 4.02Å; F157-L214 HydrophobicContact CD2-CG 4.49Å; F157-L214 HydrophobicContact CE1-CB 4.09Å; F157-L214 HydrophobicContact CE2-CB 3.59Å; F157-L214 HydrophobicContact CG-CB 4.11Å; F157-L214 HydrophobicContact CG-CD2 3.66Å; F157-L214 HydrophobicContact CZ-CB 3.76Å; M200-L214 HydrophobicContact CB-CD1 4.37Å; L214-T216 HydrophobicContact CD2-CG2 4.38Å; L214-T216 HydrophobicContact CG-CG2 4.16Å
215	R	97.9	Very high	97.9	Very high	24 Å²	24	29.2 Å²	29.2	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	177.9	-177.1	-178.8	169.7	-164.9	-7.5	110.3	R110 L195 K196 G198 D199 G217	R110-R215 CarbonylContact O-C 3.58Å; R110-R215 WeakPolarHBondContact O-CA 3.2Å; R110-R215 WeakPolarHBondContact O-CG 3.46Å; L195-R215 HydrophobicContact CB-CB 3.85Å; L195-R215 HydrophobicContact CD1-CB 4.24Å; L195-R215 WeakPolarHBondContact O-CD 3.37Å; L195-R215 PolarHBondContact O-NH1 3.28Å; K196-R215 WeakPolarHBondContact O-CB 3.48Å; G198-R215 PolarHBondContact N-O 2.96Å; D199-R215 PolarHBondContact O-N 2.96Å; D199-R215 VanDerWaalsContact O-N 3.08Å; R215-G217 VanDerWaalsContact CG-O 3.31Å; R215-G217 WeakPolarHBondContact CG-O 3.3Å; R215-G217 PolarHBondContact NE-O 2.94Å; R215-G217 PolarHBondContact NE-OXT 2.7Å; R215-G217 PolarHBondContact NH2-O 2.88Å; R215-G217 PolarHBondContact NH2-OXT 2.73Å
216	T	97.1	Very high	97.9	Very high	58 Å²	58	25.5 Å²	25.5	36%	0.356	16%	0.157	S	C	.	.			trans	-113	-1.1	-174.9	54.2	0	0	0	0	113.6	R110 L214	R110-T216 WeakPolarHBondContact CD-OG1 3.48Å; R110-T216 WeakPolarHBondContact CG-OG1 3.24Å; R110-T216 PolarHBondContact O-N 3.5Å; R110-T216 PolarHBondContact O-OG1 3.06Å; L214-T216 HydrophobicContact CD2-CG2 4.38Å; L214-T216 HydrophobicContact CG-CG2 4.16Å
217	G	92.3	Very high	97.8	Very high	44 Å²	44	26.2 Å²	26.2	45%	0.454	16%	0.161	S	C	.	.			trans	-169.8	0	174.3	0	0	0	0	0	111.7	V109 R110 V197 R215	V109-G217 CarbonylContact C-O 3.57Å; V109-G217 WeakPolarHBondContact CA-O 3.48Å; R110-G217 PolarHBondContact N-O 3.46Å; R110-G217 PolarHBondContact O-N 2.85Å; V197-G217 VanDerWaalsContact CG2-OXT 3.29Å; V197-G217 WeakPolarHBondContact CG2-OXT 3.17Å; R215-G217 VanDerWaalsContact CG-O 3.31Å; R215-G217 WeakPolarHBondContact CG-O 3.3Å; R215-G217 PolarHBondContact NE-O 2.94Å; R215-G217 PolarHBondContact NE-OXT 2.7Å; R215-G217 PolarHBondContact NH2-O 2.88Å; R215-G217 PolarHBondContact NH2-OXT 2.73Å

Retrieved 217 of 217 residues in 39 ms (Link to these results)

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