A0A087YQI3_POEFO Loading...

Hexosyltransferase

AlphaFold DB (A0A3B3U8P6), UniProt , Accession A0A087YQI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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	43.6	Very low	49.9	Very low	242 Å²	242	137 Å²	137	100%	1.192	74%	0.735	S	S	*	*				0	100.4	0	-74.2	-178.7	168	0	0	108.9
2	P	41.6	Very low	50.4	Low	129 Å²	129	131.6 Å²	131.6	84%	0.838	71%	0.711	S	S	*	*			trans	-89.2	141.1	172.4	16.7	0.6	0	0	0	110.6
3	S	45.1	Very low	50.8	Low	89 Å²	89	129.5 Å²	129.5	62%	0.622	71%	0.705	S	S	*	*			trans	-69.1	143.9	-171.5	78.1	0	0	0	0	113.5	V5	S3-V5 PolarHBondContact O-N 3.4Å
4	K	51.6	Low	51.2	Low	210 Å²	210	127.3 Å²	127.3	91%	0.913	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	15.4	178.8	-71.3	-178	173.5	-180	0	114.6
5	V	56	Low	51.4	Low	99 Å²	99	124.2 Å²	124.2	60%	0.6	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-19.1	-173.2	-173.2	0	0	0	0	113	S3 C7	S3-V5 PolarHBondContact O-N 3.4Å; V5-C7 PolarHBondContact O-N 3.06Å
6	S	53.5	Low	51.2	Low	90 Å²	90	128.6 Å²	128.6	63%	0.629	69%	0.69	S	S	*	*	H	α-helix	trans	-78.8	-15.3	-178.3	-75	0	0	0	0	115.7
7	C	47.8	Very low	51.2	Low	97 Å²	97	125.2 Å²	125.2	66%	0.655	68%	0.684	S	S	*	*	H	α-helix	trans	-81.5	-26.7	-176.7	-121.9	0	0	0	0	113.3	V5	V5-C7 PolarHBondContact O-N 3.06Å
8	L	50.4	Low	51.4	Low	134 Å²	134	122.1 Å²	122.1	70%	0.702	67%	0.673	S	S	*	*	H	α-helix	trans	-77.8	-27.4	-177.9	-135.4	79.9	0	0	0	113	T12	L8-T12 PolarHBondContact O-OG1 2.91Å
9	Y	51.7	Low	51.4	Low	177 Å²	177	118.4 Å²	118.4	69%	0.694	66%	0.66	S	S	*	*	H	α-helix	trans	-76.7	-29.2	178.9	-100.8	-87.7	0	0	0	113.2	T12 V13	Y9-T12 PolarHBondContact O-OG1 3.29Å; Y9-V13 WeakPolarHBondContact O-CG2 3.49Å
10	I	55.5	Low	51.3	Low	119 Å²	119	118.8 Å²	118.8	61%	0.61	66%	0.66	S	S	*	*	H	α-helix	trans	-78.6	-34.8	179.9	-61.9	175.9	0	0	0	110.9	T12 V14	I10-T12 VanDerWaalsContact C-N 3.35Å; I10-T12 PolarHBondContact O-N 2.74Å; I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 2.9Å
11	L	52.4	Low	51.2	Low	121 Å²	121	122.8 Å²	122.8	63%	0.634	67%	0.665	S	S	*	*	H	α-helix	trans	-68.1	-31.2	177.3	-95.1	155.3	0	0	0	113.6	C15	L11-C15 PolarHBondContact O-SG 2.78Å; L11-C15 VanDerWaalsContact O-SG 3.39Å
12	T	55.9	Low	51.6	Low	72 Å²	72	120.7 Å²	120.7	44%	0.442	65%	0.646	S	S	.	*	H	α-helix	trans	-74.9	-42.1	177.7	47.4	0	0	0	0	111.4	L8 Y9 I10 V14 C15 W16	L8-T12 PolarHBondContact O-OG1 2.91Å; Y9-T12 PolarHBondContact O-OG1 3.29Å; I10-T12 VanDerWaalsContact C-N 3.35Å; I10-T12 PolarHBondContact O-N 2.74Å; T12-V14 VanDerWaalsContact C-N 3.33Å; T12-V14 PolarHBondContact O-N 2.79Å; T12-C15 PolarHBondContact O-N 3.05Å; T12-W16 VanDerWaalsContact O-CD1 3.27Å; T12-W16 PolarHBondContact O-N 3.05Å
13	V	55.8	Low	52	Low	104 Å²	104	121.6 Å²	121.6	63%	0.63	64%	0.643	S	S	*	*	H	α-helix	trans	-65.7	-33.1	-179.8	176.6	0	0	0	0	112.8	Y9	Y9-V13 WeakPolarHBondContact O-CG2 3.49Å
14	V	56.1	Low	52.3	Low	99 Å²	99	121.1 Å²	121.1	60%	0.6	64%	0.639	S	S	*	*	H	α-helix	trans	-74	-28.7	178.2	177.7	0	0	0	0	112.6	I10 T12 S18	I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 2.9Å; T12-V14 VanDerWaalsContact C-N 3.33Å; T12-V14 PolarHBondContact O-N 2.79Å; V14-S18 PolarHBondContact O-OG 3.24Å
15	C	53.7	Low	52.2	Low	81 Å²	81	117.4 Å²	117.4	55%	0.547	63%	0.628	S	S	.	*	H	α-helix	trans	-75.4	-26.3	178.1	-73.8	0	0	0	0	113.9	L11 T12 S18	L11-C15 PolarHBondContact O-SG 2.78Å; L11-C15 VanDerWaalsContact O-SG 3.39Å; T12-C15 PolarHBondContact O-N 3.05Å; C15-S18 PolarHBondContact O-OG 2.76Å
16	W	49.3	Very low	51.9	Low	195 Å²	195	117.9 Å²	117.9	74%	0.739	64%	0.636	S	S	*	*	H	α-helix	trans	-82.3	-27.3	178.3	-77.1	85.4	0	0	0	113	T12	T12-W16 VanDerWaalsContact O-CD1 3.27Å; T12-W16 PolarHBondContact O-N 3.05Å
17	A	51.3	Low	51.9	Low	70 Å²	70	125 Å²	125	58%	0.579	65%	0.649	S	S	*	*	H	α-helix	trans	-72.3	-29.2	178	0	0	0	0	0	113.4
18	S	54.1	Low	51.6	Low	70 Å²	70	126.4 Å²	126.4	49%	0.49	66%	0.657	S	S	.	*	H	α-helix	trans	-79.8	-27.7	178.1	48.2	0	0	0	0	113.5	V14 C15	V14-S18 PolarHBondContact O-OG 3.24Å; C15-S18 PolarHBondContact O-OG 2.76Å
19	A	51.8	Low	51.1	Low	52 Å²	52	126.6 Å²	126.6	43%	0.43	66%	0.664	S	S	.	*	H	α-helix	trans	-72	-32.1	176.3	0	0	0	0	0	113.2
20	L	48.8	Very low	50.7	Low	126 Å²	126	122.9 Å²	122.9	66%	0.66	66%	0.664	S	S	*	*	H	α-helix	trans	-77.7	-22.2	179.1	-75.5	166.6	0	0	0	113.5
21	W	48.9	Very low	50	Low	203 Å²	203	123.4 Å²	123.4	77%	0.769	67%	0.672	S	S	*	*	H	α-helix	trans	-79.6	-29.8	175.8	-154.4	46.7	0	0	0	112.7	L23 S24	W21-L23 VanDerWaalsContact C-N 3.3Å; W21-L23 PolarHBondContact O-N 2.66Å; W21-S24 PolarHBondContact O-OG 2.04Å
22	Y	51.8	Low	49.4	Very low	198 Å²	198	127.8 Å²	127.8	78%	0.776	68%	0.682	S	S	*	*	H	α-helix	trans	-73.4	-18.9	175.9	-106.1	-88.5	0	0	0	114
23	L	49.8	Very low	48.8	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-4	-179.8	-71.7	168.1	0	0	0	113.9	W21	W21-L23 VanDerWaalsContact C-N 3.3Å; W21-L23 PolarHBondContact O-N 2.66Å
24	S	51.3	Low	48	Very low	78 Å²	78	128.5 Å²	128.5	55%	0.545	70%	0.698	S	S	.	*	S	Bend	trans	-99.4	-0.6	-179	72.6	0	0	0	0	115	W21 S26	W21-S24 PolarHBondContact O-OG 2.04Å; S24-S26 PolarHBondContact O-N 3.47Å
25	I	49.7	Very low	47.3	Very low	133 Å²	133	132.5 Å²	132.5	68%	0.682	71%	0.71	S	S	*	*	S	Bend	trans	-85.8	116.5	179	-60.3	171.2	0	0	0	109.9
26	S	51	Low	46.7	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-63.3	135.5	-179.6	-33.4	0	0	0	0	111.6	S24	S24-S26 PolarHBondContact O-N 3.47Å
27	R	52.2	Low	46.3	Very low	239 Å²	239	133.1 Å²	133.1	90%	0.902	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.9	136.5	175.6	-69.2	-178.8	176.7	-174.1	-1.2	111
28	P	41.4	Very low	45.9	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-74	128.1	168.3	26.5	-26.2	0	0	0	110.2	S30	P28-S30 PolarHBondContact O-N 2.88Å
29	T	41.5	Very low	45.5	Very low	138 Å²	138	141 Å²	141	85%	0.847	76%	0.762	S	S	*	*			trans	-75.7	113.2	169.9	38.4	0	0	0	0	109.3
30	S	43.2	Very low	45.1	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	78%	0.784	S	S	*	*			trans	-95.3	111.5	169	-175.3	0	0	0	0	109.1	P28 Y32	P28-S30 PolarHBondContact O-N 2.88Å; S30-Y32 PolarHBondContact O-N 2.95Å
31	T	39.8	Very low	44.8	Very low	130 Å²	130	154.1 Å²	154.1	80%	0.798	80%	0.797	S	S	*	*			trans	-82.1	102.6	168.9	36.4	0	0	0	0	109.1
32	Y	39.7	Very low	44.6	Very low	213 Å²	213	155.7 Å²	155.7	84%	0.835	80%	0.803	S	S	*	*			trans	-85.5	108.6	169.4	-114.2	-91.4	0	0	0	109.5	S30	S30-Y32 PolarHBondContact O-N 2.95Å
33	V	44.1	Very low	44.3	Very low	128 Å²	128	154 Å²	154	78%	0.776	81%	0.806	S	S	*	*			trans	-96.5	94.6	163.7	-176.8	0	0	0	0	107.2
34	G	38.7	Very low	44	Very low	62 Å²	62	153.2 Å²	153.2	64%	0.639	81%	0.807	S	S	*	*			trans	-94	112.6	174.2	0	0	0	0	0	110.8	M36	G34-M36 PolarHBondContact O-N 2.67Å
35	H	41.8	Very low	43.7	Very low	184 Å²	184	158.1 Å²	158.1	85%	0.852	82%	0.819	S	S	*	*			trans	-61.8	119	166.1	-85.9	-89.5	0	0	0	110.2	A37	H35-A37 PolarHBondContact O-N 3.35Å
36	M	39.6	Very low	43.5	Very low	192 Å²	192	157.3 Å²	157.3	95%	0.946	82%	0.822	S	S	*	*			trans	-73.9	104.9	167.5	-80.7	-173.1	178	0	0	109.9	G34	G34-M36 PolarHBondContact O-N 2.67Å
37	A	42.7	Very low	43.4	Very low	96 Å²	96	157.1 Å²	157.1	79%	0.793	82%	0.818	S	S	*	*			trans	-91.2	114.7	159.3	0	0	0	0	0	108.8	H35	H35-A37 PolarHBondContact O-N 3.35Å
38	M	42.5	Very low	43	Very low	180 Å²	180	151.3 Å²	151.3	89%	0.887	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.2	174.3	-72.1	-140.6	-164.7	0	0	110.9	K40	M38-K40 PolarHBondContact O-N 3.35Å
39	P	44.7	Very low	43.4	Very low	125 Å²	125	154.7 Å²	154.7	81%	0.812	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.6	121.9	174.1	27.4	-28.7	0	0	0	110.4	R41	P39-R41 PolarHBondContact O-N 3.15Å
40	K	44.7	Very low	43.6	Very low	207 Å²	207	155.6 Å²	155.6	90%	0.9	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-58.3	125.9	168.9	-82.7	179.6	175.4	176.3	0	109.7	M38 R42	M38-K40 PolarHBondContact O-N 3.35Å; K40-R42 PolarHBondContact O-N 2.97Å; K40-R42 VanDerWaalsContact O-N 3.13Å
41	R	42.1	Very low	43.6	Very low	247 Å²	247	157.4 Å²	157.4	93%	0.932	81%	0.813	S	S	*	*			trans	-54.2	114.3	171.3	-85.7	-179.7	172.5	178.7	-2	110.2	P39	P39-R41 PolarHBondContact O-N 3.15Å
42	R	44.1	Very low	43.7	Very low	237 Å²	237	156.6 Å²	156.6	89%	0.894	81%	0.808	S	S	*	*			trans	-79.1	118.1	165.9	-118.5	179.9	-179.2	-175.2	0.8	108.4	K40 V44	K40-R42 PolarHBondContact O-N 2.97Å; K40-R42 VanDerWaalsContact O-N 3.13Å; R42-V44 PolarHBondContact O-N 3.01Å
43	I	44.8	Very low	44.2	Very low	162 Å²	162	155 Å²	155	83%	0.831	81%	0.806	S	S	*	*			trans	-66.1	115.2	171.2	-62.9	170.8	0	0	0	107.6	K45	I43-K45 PolarHBondContact O-N 3.05Å
44	V	44	Very low	44.3	Very low	132 Å²	132	154.1 Å²	154.1	80%	0.8	80%	0.801	S	S	*	*			trans	-75.4	115.4	175	178.4	0	0	0	0	108	R42	R42-V44 PolarHBondContact O-N 3.01Å
45	K	44.8	Very low	44.6	Very low	181 Å²	181	158.5 Å²	158.5	79%	0.787	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.5	141.2	170.5	-73.5	-177.2	177	-178.7	0	109.5	I43	I43-K45 PolarHBondContact O-N 3.05Å
46	P	45.7	Very low	45.1	Very low	115 Å²	115	156.5 Å²	156.5	75%	0.747	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-64.3	146.1	176.7	26.8	-32.1	0	0	0	110.6
47	P	50.3	Low	45.7	Very low	106 Å²	106	156.1 Å²	156.1	69%	0.688	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.9	-178.5	28.7	-32.4	0	0	0	110.5	K49	P47-K49 PolarHBondContact O-N 2.56Å
48	P	43.8	Very low	46.8	Very low	116 Å²	116	158.1 Å²	158.1	75%	0.753	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.2	128.8	175.3	25.3	-30.6	0	0	0	109.7	N50	P48-N50 PolarHBondContact O-N 3.12Å
49	K	49.8	Very low	48.5	Very low	199 Å²	199	157.4 Å²	157.4	87%	0.865	78%	0.782	S	S	*	*	S	Bend	trans	-66.4	96	169.1	-68	177.9	178.5	179.9	0	107.5	P47	P47-K49 PolarHBondContact O-N 2.56Å
50	N	45.7	Very low	50.3	Low	156 Å²	156	154 Å²	154	83%	0.834	76%	0.76	S	S	*	*			trans	169.8	77.1	152.1	-83.3	-15	0	0	0	108.6	P48	P48-N50 PolarHBondContact O-N 3.12Å
51	I	43.4	Very low	52.3	Low	137 Å²	137	149.8 Å²	149.8	70%	0.703	75%	0.746	S	S	*	*			trans	-97.4	102.3	162.7	-58.2	177.2	0	0	0	105.9	F53	I51-F53 PolarHBondContact O-N 3.26Å
52	T	41.5	Very low	54.5	Low	113 Å²	113	139.9 Å²	139.9	69%	0.693	71%	0.712	S	S	*	*			trans	-60.5	118.8	167	43.2	0	0	0	0	108.8	T54	T52-T54 PolarHBondContact O-N 3.34Å
53	F	49.9	Very low	56.6	Low	181 Å²	181	132.6 Å²	132.6	79%	0.794	70%	0.695	S	S	*	*	S	Bend	trans	-72.8	39.8	-178.5	-76.6	-85.3	0	0	0	113.8	I51	I51-F53 PolarHBondContact O-N 3.26Å
54	T	44.8	Very low	58.7	Low	109 Å²	109	125.6 Å²	125.6	67%	0.669	66%	0.659	S	S	*	*			trans	-104.9	13.4	-173.6	46.5	0	0	0	0	114.5	T52	T52-T54 PolarHBondContact O-N 3.34Å
55	N	45	Very low	61	Low	153 Å²	153	123.6 Å²	123.6	82%	0.818	66%	0.656	S	S	*	*			trans	-151.1	55.6	175.6	-87	-46.2	0	0	0	113.4	R57	N55-R57 PolarHBondContact O-N 3.44Å
56	I	52.8	Low	63.5	Low	143 Å²	143	118 Å²	118	73%	0.733	63%	0.632	S	S	*	*			trans	-70.8	102	163.2	-62.2	173.5	0	0	0	106.9	T58	I56-T58 PolarHBondContact O-N 2.76Å
57	R	52.9	Low	65.9	Low	183 Å²	183	119.6 Å²	119.6	69%	0.691	63%	0.63	S	S	*	*			trans	-38.7	118.2	177.4	-77.5	171.8	167.9	-179.2	-1.3	111.8	N55 R59	N55-R57 PolarHBondContact O-N 3.44Å; R57-R59 HydrophobicContact CB-CB 4.21Å; R57-R59 HydrophobicContact CB-CG 4.17Å; R57-R59 PolarHBondContact O-N 2.85Å
58	T	65.8	Low	68.2	Low	138 Å²	138	116.7 Å²	116.7	85%	0.847	61%	0.606	S	S	*	*			trans	-62.6	13.2	162.3	48	0	0	0	0	113.7	I56	I56-T58 PolarHBondContact O-N 2.76Å
59	R	77.1	Confident	70.7	Confident	165 Å²	165	114.7 Å²	114.7	62%	0.623	59%	0.592	S	S	*	*			trans	-78.3	133	-177.3	-67	-173.1	-178.5	-173	-2.3	109.6	R57 L61	R57-R59 HydrophobicContact CB-CB 4.21Å; R57-R59 HydrophobicContact CB-CG 4.17Å; R57-R59 PolarHBondContact O-N 2.85Å; R59-L61 PolarHBondContact O-N 3.48Å
60	P	83.1	Confident	73.1	Confident	54 Å²	54	106.3 Å²	106.3	35%	0.351	56%	0.556	S	S	.	*			trans	-59.9	138.8	172.6	24.6	-31.1	0	0	0	109.9	P63 L259	P60-P63 HydrophobicContact CG-CB 4.27Å; P60-P63 HydrophobicContact CG-CG 4.11Å; P60-L259 CarbonylContact C-O 3.54Å; P60-L259 WeakPolarHBondContact CA-O 3.46Å; P60-L259 HydrophobicContact CB-CB 4.06Å; P60-L259 WeakPolarHBondContact CB-O 3.48Å
61	L	87.6	Confident	75.5	Confident	119 Å²	119	101 Å²	101	62%	0.623	53%	0.528	S	S	*	.	S	Bend	trans	-70.6	-36.7	175.6	-74.3	175.7	0	0	0	111.2	R59 L259	R59-L61 PolarHBondContact O-N 3.48Å; L61-L259 PolarHBondContact N-O 2.98Å
62	N	87.8	Confident	78.1	Confident	38 Å²	38	96 Å²	96	20%	0.203	50%	0.502	C	S	.	.	S	Bend	trans	-129.2	88.6	175.3	-26.5	-88.2	0	0	0	107.6	H64 S258 L259 T261 L263	N62-H64 PolarHBondContact O-N 3.23Å; N62-S258 PolarHBondContact ND2-O 3.2Å; N62-S258 VanDerWaalsContact ND2-O 3.11Å; N62-L259 PolarHBondContact N-O 3.05Å; N62-L259 WeakPolarHBondContact O-CD2 3.34Å; N62-T261 PolarHBondContact ND2-O 3.29Å; N62-L263 WeakPolarHBondContact OD1-CB 3.1Å; N62-L263 PolarHBondContact OD1-N 3.2Å
63	P	87.7	Confident	80.7	Confident	85 Å²	85	93 Å²	93	55%	0.552	48%	0.484	S	S	*	.			trans	-59.1	120.4	171.4	-14.2	25.1	0	0	0	109.5	P60 A65	P60-P63 HydrophobicContact CG-CB 4.27Å; P60-P63 HydrophobicContact CG-CG 4.11Å; P63-A65 VanDerWaalsContact C-N 3.28Å; P63-A65 PolarHBondContact O-N 3.4Å
64	H	90.3	Very high	82.8	Confident	14 Å²	14	91.5 Å²	91.5	7%	0.065	48%	0.477	C	S	.	.			trans	-92.9	61.5	174.4	-162.3	109.3	0	0	0	109.4	N62 F66 E146 L157 Y255 L259	N62-H64 PolarHBondContact O-N 3.23Å; H64-F66 AromaticContact CD2-CD2 3.78Å; H64-F66 AromaticContact NE2-CD2 3.76Å; H64-F66 PolarHBondContact O-N 2.98Å; H64-E146 IonicContact CD2-OE1 2.65Å; H64-E146 PolarHBondContact CD2-OE1 3.15Å; H64-E146 IonicContact CD2-OE2 3.98Å; H64-E146 IonicContact CE1-OE2 3.08Å; H64-E146 IonicContact NE2-OE1 3.3Å; H64-E146 PolarHBondContact NE2-OE1 2.91Å; H64-E146 IonicContact NE2-OE2 3.51Å; H64-E146 PolarHBondContact NE2-OE2 2.84Å; H64-L157 PolarHBondContact CE1-O 3.22Å; H64-Y255 HydrophobicContact CB-CE2 4.11Å; H64-L259 HydrophobicContact CB-CD2 3.89Å
65	A	91.7	Very high	85.1	Confident	90 Å²	90	88.2 Å²	88.2	74%	0.744	45%	0.453	S	S	*	.			trans	-91.3	47.8	-173.8	0	0	0	0	0	111.9	P63	P63-A65 VanDerWaalsContact C-N 3.28Å; P63-A65 PolarHBondContact O-N 3.4Å
66	F	96.1	Very high	87.5	Confident	63 Å²	63	81.6 Å²	81.6	28%	0.276	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-97	146.2	174.3	-55.9	-74.8	0	0	0	110.2	H64 E146 N147 F148 L157 R164	H64-F66 AromaticContact CD2-CD2 3.78Å; H64-F66 AromaticContact NE2-CD2 3.76Å; H64-F66 PolarHBondContact O-N 2.98Å; F66-E146 VanDerWaalsContact CB-CD 3.5Å; F66-E146 HydrophobicContact CB-CG 3.48Å; F66-E146 VanDerWaalsContact CB-CG 3.48Å; F66-N147 WeakPolarHBondContact CD1-O 3.22Å; F66-F148 HydrophobicContact CD1-CB 3.91Å; F66-F148 HydrophobicContact CD2-CB 4.35Å; F66-F148 HydrophobicContact CD2-CD1 4.34Å; F66-F148 HydrophobicContact CE1-CB 3.72Å; F66-F148 HydrophobicContact CE2-CB 4.2Å; F66-F148 HydrophobicContact CG-CB 4.22Å; F66-F148 HydrophobicContact CG-CD1 4.45Å; F66-F148 HydrophobicContact CZ-CB 3.88Å; F66-L157 HydrophobicContact CE2-CD1 3.96Å; F66-L157 HydrophobicContact CE2-CD2 4.15Å; F66-L157 HydrophobicContact CZ-CD1 4.08Å; F66-R164 PolarHBondContact O-NH1 2.58Å
67	E	96.9	Very high	89.3	Confident	150 Å²	150	81.1 Å²	81.1	70%	0.701	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-94.7	144.3	178.6	-65.5	-179.9	172.7	0	0	110.1	V69 E146 N147	E67-V69 PolarHBondContact O-N 3.29Å; E67-E146 CarbonylContact O-C 3.58Å; E67-E146 WeakPolarHBondContact O-CA 3.45Å; E67-E146 VanDerWaalsContact O-CG 3.31Å; E67-E146 WeakPolarHBondContact O-CG 3.47Å; E67-N147 PolarHBondContact O-N 2.97Å
68	F	98	Very high	91	Very high	44 Å²	44	77.9 Å²	77.9	19%	0.193	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.4	169.9	-64.6	-71.4	0	0	0	108.9	N71 V144 V145 E146 M161 W165 F169	F68-N71 HydrophobicContact CB-CB 3.91Å; F68-N71 HydrophobicContact CG-CB 4.48Å; F68-V144 HydrophobicContact CD1-CG1 3.72Å; F68-V144 HydrophobicContact CE1-CG1 3.76Å; F68-V145 CarbonylContact C-O 3.6Å; F68-V145 WeakPolarHBondContact CA-O 3.43Å; F68-E146 HydrophobicContact CD1-CB 4.17Å; F68-E146 HydrophobicContact CD1-CG 4.25Å; F68-E146 HydrophobicContact CE1-CG 4.5Å; F68-M161 HydrophobicContact CE1-CG 3.78Å; F68-W165 HydrophobicContact CE1-CB 4.38Å; F68-W165 HydrophobicContact CZ-CB 4.24Å; F68-F169 HydrophobicContact CD2-CE2 4.38Å; F68-F169 AromaticContact CE2-CE2 3.89Å; F68-F169 HydrophobicContact CE2-CE2 3.89Å; F68-F169 HydrophobicContact CE2-CZ 4.4Å; F68-F169 HydrophobicContact CZ-CE2 4.32Å
69	V	97.7	Very high	92.2	Very high	74 Å²	74	75.7 Å²	75.7	45%	0.448	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-44.2	175.9	-178.9	0	0	0	0	109.8	E67 R123 V145 N147	E67-V69 PolarHBondContact O-N 3.29Å; V69-R123 HydrophobicContact CG2-CG 4.33Å; V69-V145 HydrophobicContact CB-CB 4.41Å; V69-V145 HydrophobicContact CB-CG1 4.25Å; V69-V145 PolarHBondContact N-O 2.98Å; V69-N147 HydrophobicContact CG2-CB 3.82Å
70	I	98.4	Very high	93	Very high	23 Å²	23	71.3 Å²	71.3	12%	0.118	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.7	171.5	-57.8	179.7	0	0	0	106.3	V133 E134 S137 I143 V145	I70-V133 HydrophobicContact CD1-CG1 4.2Å; I70-E134 HydrophobicContact CD1-CB 4.19Å; I70-S137 WeakPolarHBondContact CG2-OG 3.12Å; I70-I143 WeakPolarHBondContact CG2-O 3.38Å; I70-V145 HydrophobicContact CB-CB 3.92Å; I70-V145 HydrophobicContact CB-CG2 3.91Å; I70-V145 HydrophobicContact CD1-CB 4.41Å; I70-V145 HydrophobicContact CD1-CG2 3.82Å; I70-V145 HydrophobicContact CG1-CB 4.16Å; I70-V145 HydrophobicContact CG1-CG2 4.08Å; I70-V145 PolarHBondContact N-O 2.93Å; I70-V145 PolarHBondContact O-N 3.33Å
71	N	97.4	Very high	93.6	Very high	46 Å²	46	68.8 Å²	68.8	25%	0.246	38%	0.377	C	S	.	.			trans	-143.5	153.8	-176.8	-166.4	16	0	0	0	110.8	F68 P73 W165 F169	F68-N71 HydrophobicContact CB-CB 3.91Å; F68-N71 HydrophobicContact CG-CB 4.48Å; N71-P73 VanDerWaalsContact C-CD 3.43Å; N71-P73 WeakPolarHBondContact O-CD 3.16Å; N71-W165 PolarHBondContact OD1-NE1 3.19Å; N71-F169 WeakPolarHBondContact ND2-CZ 3.25Å
72	E	96.8	Very high	94.1	Very high	31 Å²	31	63.9 Å²	63.9	15%	0.145	35%	0.35	C	S	.	.			trans	-124.2	60.9	177.1	-63.7	-60.7	164.3	0	0	110.5	K74 K75 H141 W165	E72-K74 PolarHBondContact O-N 2.84Å; E72-K75 HydrophobicContact CB-CB 4.25Å; E72-K75 HydrophobicContact CB-CD 4.37Å; E72-K75 WeakPolarHBondContact O-CB 3.24Å; E72-K75 PolarHBondContact O-N 3.42Å; E72-H141 WeakPolarHBondContact OE1-CA 3.01Å; E72-H141 IonicContact OE1-ND1 3.9Å; E72-H141 IonicContact OE2-ND1 3.5Å; E72-W165 HydrophobicContact CB-CZ2 4.26Å; E72-W165 WeakPolarHBondContact O-CZ2 3.33Å
73	P	96.1	Very high	94.6	Very high	50 Å²	50	62 Å²	62	33%	0.325	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.6	-167.2	26.5	-34.9	0	0	0	113.5	N71 F169	N71-P73 VanDerWaalsContact C-CD 3.43Å; N71-P73 WeakPolarHBondContact O-CD 3.16Å; P73-F169 HydrophobicContact CB-CD1 3.72Å; P73-F169 HydrophobicContact CB-CE1 3.57Å; P73-F169 HydrophobicContact CB-CZ 4.35Å
74	K	95.3	Very high	95.1	Very high	149 Å²	149	58 Å²	58	65%	0.648	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.3	-175.6	-54.3	-168.1	177.3	176.3	0	114.3	E72 C76 E77	E72-K74 PolarHBondContact O-N 2.84Å; K74-C76 PolarHBondContact O-N 3.46Å; K74-E77 HydrophobicContact CB-CG 4.41Å; K74-E77 WeakPolarHBondContact CG-OE2 3.4Å; K74-E77 PolarHBondContact O-N 2.8Å
75	K	93.1	Very high	95.5	Very high	40 Å²	40	57.3 Å²	57.3	17%	0.174	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.8	-170.6	-157.7	162.7	-179.8	170	0	113.6	E72 E107 L116 T117 V118 H141 D142 W165	E72-K75 HydrophobicContact CB-CB 4.25Å; E72-K75 HydrophobicContact CB-CD 4.37Å; E72-K75 WeakPolarHBondContact O-CB 3.24Å; E72-K75 PolarHBondContact O-N 3.42Å; K75-E107 VanDerWaalsContact CE-OE1 3.22Å; K75-E107 WeakPolarHBondContact CE-OE1 2.97Å; K75-E107 IonicContact NZ-OE1 2.68Å; K75-E107 PolarHBondContact NZ-OE1 2.79Å; K75-L116 HydrophobicContact CG-CD1 4.21Å; K75-L116 HydrophobicContact CG-CD2 4.05Å; K75-T117 PolarHBondContact NZ-O 3.35Å; K75-V118 HydrophobicContact CD-CG2 4.49Å; K75-H141 PolarHBondContact NZ-O 2.8Å; K75-H141 VanDerWaalsContact NZ-O 3.16Å; K75-D142 VanDerWaalsContact NZ-CB 3.3Å; K75-W165 HydrophobicContact CB-CH2 4.34Å; K75-W165 HydrophobicContact CB-CZ2 4.45Å
76	C	94.8	Very high	95.9	Very high	14 Å²	14	53.1 Å²	53.1	10%	0.095	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	9	179	-74.7	0	0	0	0	114.3	K74 L116 F169 C170	K74-C76 PolarHBondContact O-N 3.46Å; C76-L116 WeakPolarHBondContact SG-CD1 3.21Å; C76-F169 WeakPolarHBondContact CB-O 3.5Å; C76-C170 HydrophobicContact CB-CB 3.77Å; C76-C170 WeakPolarHBondContact CB-SG 3.07Å; C76-C170 WeakPolarHBondContact SG-CB 3.47Å; C76-C170 CovalentContact SG-SG 2.03Å; C76-C170 PolarHBondContact SG-SG 2.77Å
77	E	91.1	Very high	96	Very high	133 Å²	133	50.1 Å²	50.1	62%	0.621	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-47.4	-178	-78.3	178.2	-178.5	0	0	111.8	K74	K74-E77 HydrophobicContact CB-CG 4.41Å; K74-E77 WeakPolarHBondContact CG-OE2 3.4Å; K74-E77 PolarHBondContact O-N 2.8Å
78	S	88.3	Confident	96.1	Very high	116 Å²	116	43.3 Å²	43.3	81%	0.811	23%	0.232	S	C	*	.	S	Bend	trans	-87	-31.2	-171.9	-55.8	0	0	0	0	113.5
79	I	90.3	Very high	96.1	Very high	91 Å²	91	41.3 Å²	41.3	47%	0.467	22%	0.223	S	C	.	.	S	Bend	trans	-133.1	134.8	-174.5	-52.2	177.9	0	0	0	108.6	P81 H114	I79-P81 WeakPolarHBondContact O-CD 3.41Å; I79-H114 HydrophobicContact CG2-CB 3.96Å; I79-H114 WeakPolarHBondContact CG2-CD2 3.42Å
80	T	93.9	Very high	96.1	Very high	73 Å²	73	40.5 Å²	40.5	45%	0.448	22%	0.219	S	C	.	.			trans	-86.4	113.2	174.3	-62.5	0	0	0	0	109.4	K172	T80-K172 HydrophobicContact CG2-CB 3.64Å; T80-K172 WeakPolarHBondContact CG2-O 3.41Å
81	P	96.4	Very high	96.1	Very high	2 Å²	2	40 Å²	40	1%	0.013	22%	0.216	C	C	.	.			trans	-70.6	141.5	-179.9	30.8	-37.7	0	0	0	111.6	I79 V84 L116 A173 Q174	I79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-V84 HydrophobicContact CB-CG2 4.1Å; P81-V84 HydrophobicContact CG-CG2 3.62Å; P81-L116 HydrophobicContact CB-CD1 3.82Å; P81-L116 HydrophobicContact CB-CG 3.91Å; P81-L116 HydrophobicContact CG-CD1 3.79Å; P81-L116 HydrophobicContact CG-CG 4.43Å; P81-A173 HydrophobicContact CG-CB 3.85Å; P81-A173 WeakPolarHBondContact O-CA 3.34Å; P81-Q174 PolarHBondContact O-N 3.38Å
82	F	97.9	Very high	96.1	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.066	24%	0.239	C	C	.	.	S	Bend	trans	-68.8	-43.3	166.5	175.7	-104	0	0	0	110.5	I113 H114 Q174 Y175 I191 L195 P197	F82-I113 HydrophobicContact CB-CG2 3.56Å; F82-I113 HydrophobicContact CD1-CG2 3.46Å; F82-I113 VanDerWaalsContact CD1-CG2 3.46Å; F82-I113 HydrophobicContact CE1-CG2 4.37Å; F82-I113 HydrophobicContact CG-CG2 3.68Å; F82-H114 PolarHBondContact N-O 3.12Å; F82-Q174 HydrophobicContact CD2-CB 4.31Å; F82-Q174 HydrophobicContact CD2-CG 4.39Å; F82-Q174 WeakPolarHBondContact O-CB 3.04Å; F82-Y175 HydrophobicContact CE1-CD2 4.35Å; F82-Y175 AromaticContact CE2-CD2 3.98Å; F82-Y175 HydrophobicContact CE2-CD2 3.98Å; F82-Y175 AromaticContact CE2-CE2 3.98Å; F82-Y175 HydrophobicContact CE2-CE2 3.98Å; F82-Y175 AromaticContact CZ-CD2 3.86Å; F82-Y175 HydrophobicContact CZ-CD2 3.86Å; F82-Y175 AromaticContact CZ-CE2 3.95Å; F82-Y175 HydrophobicContact CZ-CE2 3.95Å; F82-Y175 PolarHBondContact O-N 2.91Å; F82-I191 HydrophobicContact CE1-CG2 4.36Å; F82-L195 HydrophobicContact CE1-CB 3.82Å; F82-L195 HydrophobicContact CE1-CD1 3.83Å; F82-L195 HydrophobicContact CE1-CG 4.5Å; F82-L195 HydrophobicContact CZ-CB 3.65Å; F82-L195 HydrophobicContact CZ-CD1 4.37Å; F82-P197 HydrophobicContact CD2-CB 4.33Å; F82-P197 HydrophobicContact CE1-CG 3.89Å; F82-P197 HydrophobicContact CE2-CB 3.81Å; F82-P197 HydrophobicContact CE2-CG 4.04Å; F82-P197 HydrophobicContact CZ-CB 3.9Å; F82-P197 HydrophobicContact CZ-CG 3.6Å
83	L	98.6	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.1	-177.1	176.4	63.7	0	0	0	110.3	I85 I115 L116 Y175 M177 M187 L190 L195	L83-I85 HydrophobicContact CD2-CD1 4.12Å; L83-I85 HydrophobicContact CD2-CG1 3.9Å; L83-I85 HydrophobicContact CG-CG1 3.9Å; L83-I115 HydrophobicContact CB-CG1 4.49Å; L83-I115 WeakPolarHBondContact O-CA 3.36Å; L83-L116 PolarHBondContact O-N 3.16Å; L83-Y175 WeakPolarHBondContact CA-O 3.27Å; L83-M177 HydrophobicContact CD1-CB 4.15Å; L83-M187 HydrophobicContact CD2-CE 4.04Å; L83-L190 HydrophobicContact CD2-CD2 3.73Å; L83-L190 HydrophobicContact CD2-CG 4.33Å; L83-L195 HydrophobicContact CD1-CD1 4.06Å; L83-L195 HydrophobicContact CD2-CD1 4.29Å
84	V	98.8	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.5	165.4	-176.9	0	0	0	0	108.7	P81 L86 L116 W165 V166 C170 A173 Y175 V176 M177	P81-V84 HydrophobicContact CB-CG2 4.1Å; P81-V84 HydrophobicContact CG-CG2 3.62Å; V84-L86 HydrophobicContact CG1-CD2 3.91Å; V84-L86 HydrophobicContact CG1-CG 4.41Å; V84-L116 CarbonylContact C-O 3.58Å; V84-L116 WeakPolarHBondContact CA-O 3.49Å; V84-W165 HydrophobicContact CG1-CZ3 4.24Å; V84-V166 HydrophobicContact CB-CG2 4.46Å; V84-V166 HydrophobicContact CG1-CG2 4.03Å; V84-C170 HydrophobicContact CG2-CB 4.33Å; V84-A173 HydrophobicContact CG2-CB 3.94Å; V84-Y175 PolarHBondContact N-O 3.01Å; V84-V176 CarbonylContact O-C 3.18Å; V84-V176 WeakPolarHBondContact O-CA 3.26Å; V84-M177 PolarHBondContact O-N 3.07Å
85	I	98.9	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.6	177.6	-47.8	177.6	0	0	0	108.3	L83 I87 W104 I115 L116 V118 M177 T179 M187	L83-I85 HydrophobicContact CD2-CD1 4.12Å; L83-I85 HydrophobicContact CD2-CG1 3.9Å; L83-I85 HydrophobicContact CG-CG1 3.9Å; I85-I87 HydrophobicContact CG2-CD1 4.31Å; I85-I87 HydrophobicContact CG2-CG1 3.88Å; I85-W104 HydrophobicContact CD1-CZ3 4.45Å; I85-W104 HydrophobicContact CG2-CZ3 4.16Å; I85-I115 HydrophobicContact CD1-CG2 3.85Å; I85-I115 HydrophobicContact CG1-CG2 4.18Å; I85-L116 PolarHBondContact N-O 3.41Å; I85-V118 PolarHBondContact O-N 2.79Å; I85-M177 HydrophobicContact CG2-CB 4.29Å; I85-M177 HydrophobicContact CG2-CG 4.39Å; I85-T179 HydrophobicContact CG2-CG2 4.14Å; I85-M187 HydrophobicContact CD1-CE 3.66Å; I85-M187 HydrophobicContact CD1-SD 4.06Å
86	L	98.9	Very high	96.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.8	177.2	-59.6	-179.9	0	0	0	108.9	V84 V118 L120 V166 V176 M177 K178 T179	V84-L86 HydrophobicContact CG1-CD2 3.91Å; V84-L86 HydrophobicContact CG1-CG 4.41Å; L86-V118 HydrophobicContact CD2-CB 4.25Å; L86-L120 HydrophobicContact CB-CD1 3.9Å; L86-L120 HydrophobicContact CB-CG 4.43Å; L86-L120 HydrophobicContact CD2-CD1 4.43Å; L86-L120 HydrophobicContact CD2-CD2 4.29Å; L86-V166 HydrophobicContact CD1-CG2 3.94Å; L86-V166 HydrophobicContact CD2-CG2 4.02Å; L86-V166 HydrophobicContact CG-CG2 4.32Å; L86-V176 HydrophobicContact CD1-CG1 3.67Å; L86-V176 HydrophobicContact CG-CG1 3.9Å; L86-M177 PolarHBondContact N-O 3.19Å; L86-K178 WeakPolarHBondContact O-CA 3.1Å; L86-T179 PolarHBondContact O-N 3.18Å
87	I	98.9	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114	-174.4	-53.1	174	0	0	0	108.8	I85 T89 I100 W104 T117 V118 F119 L120 T179	I85-I87 HydrophobicContact CG2-CD1 4.31Å; I85-I87 HydrophobicContact CG2-CG1 3.88Å; I87-T89 HydrophobicContact CB-CG2 4.45Å; I87-T89 HydrophobicContact CG2-CG2 3.67Å; I87-T89 PolarHBondContact O-N 3.36Å; I87-I100 HydrophobicContact CD1-CD1 4.26Å; I87-I100 HydrophobicContact CD1-CG2 3.67Å; I87-I100 HydrophobicContact CG2-CD1 4.07Å; I87-W104 HydrophobicContact CD1-CH2 3.61Å; I87-W104 HydrophobicContact CD1-CZ3 4.02Å; I87-W104 HydrophobicContact CG1-CH2 4.18Å; I87-T117 HydrophobicContact CD1-CG2 3.5Å; I87-T117 HydrophobicContact CG1-CG2 4.5Å; I87-V118 PolarHBondContact N-O 3.37Å; I87-F119 HydrophobicContact CB-CD1 3.74Å; I87-F119 HydrophobicContact CB-CE1 4.09Å; I87-F119 HydrophobicContact CD1-CD1 3.99Å; I87-F119 HydrophobicContact CD1-CE1 3.51Å; I87-F119 HydrophobicContact CD1-CZ 4.17Å; I87-F119 HydrophobicContact CG1-CD1 4.43Å; I87-F119 HydrophobicContact CG1-CE1 4.4Å; I87-F119 HydrophobicContact CG2-CD1 3.91Å; I87-F119 HydrophobicContact CG2-CE1 4.06Å; I87-F119 WeakPolarHBondContact O-CA 3.09Å; I87-L120 PolarHBondContact O-N 3.09Å; I87-T179 WeakPolarHBondContact CA-O 3.45Å; I87-T179 HydrophobicContact CG1-CG2 3.95Å
88	S	98.7	Very high	97.3	Very high	7 Å²	7	40.7 Å²	40.7	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.7	174.5	-65.2	0	0	0	0	109.8	T179 S181	S88-T179 PolarHBondContact N-O 3.21Å; S88-S181 PolarHBondContact O-N 2.93Å
89	T	98.3	Very high	97.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.178	C	C	.	.			trans	-134.8	171.3	178.6	74.3	0	0	0	0	111	I87 R97 F119 L120 K158	I87-T89 HydrophobicContact CB-CG2 4.45Å; I87-T89 HydrophobicContact CG2-CG2 3.67Å; I87-T89 PolarHBondContact O-N 3.36Å; T89-R97 HydrophobicContact CG2-CG 3.98Å; T89-R97 PolarHBondContact OG1-NH1 2.63Å; T89-F119 HydrophobicContact CG2-CD1 3.72Å; T89-F119 HydrophobicContact CG2-CE1 4.46Å; T89-L120 PolarHBondContact N-O 3Å; T89-L120 VanDerWaalsContact N-O 3.16Å; T89-K158 PolarHBondContact O-NZ 3.07Å
90	T	97.9	Very high	98.2	Very high	58 Å²	58	30.9 Å²	30.9	36%	0.356	16%	0.156	S	C	.	.			trans	-116.8	164.1	172.6	69.6	0	0	0	0	110.7	K92 E93 R97	T90-K92 PolarHBondContact O-N 3.03Å; T90-K92 VanDerWaalsContact O-N 3.12Å; T90-E93 WeakPolarHBondContact CA-OE2 3.21Å; T90-E93 VanDerWaalsContact CB-OE2 3.28Å; T90-E93 WeakPolarHBondContact CB-OE2 3.37Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.44Å; T90-E93 PolarHBondContact N-OE2 3.44Å; T90-E93 PolarHBondContact O-N 3.33Å; T90-E93 WeakPolarHBondContact OG1-CG 3.37Å; T90-E93 PolarHBondContact OG1-OE2 3.06Å; T90-R97 PolarHBondContact O-NH1 3.41Å
91	H	98.2	Very high	98.4	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.056	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-34	-175.9	-61.5	69.5	0	0	0	113.2	E93 R97 G122 N124 L129 N130 V133	H91-E93 VanDerWaalsContact C-N 3.29Å; H91-E93 PolarHBondContact O-N 2.96Å; H91-R97 PolarHBondContact O-NH2 3.15Å; H91-G122 PolarHBondContact CE1-O 3.06Å; H91-G122 PolarHBondContact NE2-O 3.34Å; H91-N124 PolarHBondContact CE1-N 3.12Å; H91-N124 VanDerWaalsContact CE1-N 3.28Å; H91-N124 PolarHBondContact ND1-ND2 3.13Å; H91-N124 PolarHBondContact NE2-N 2.56Å; H91-L129 HydrophobicContact CB-CB 3.95Å; H91-L129 HydrophobicContact CB-CD1 4.35Å; H91-N130 PolarHBondContact NE2-OD1 3.41Å; H91-V133 HydrophobicContact CB-CG2 4.13Å
92	K	97.8	Very high	98.5	Very high	168 Å²	168	33.7 Å²	33.7	73%	0.73	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.1	-178.3	-63.9	-175.5	178.6	-177.6	0	113.7	T90 F94 L129	T90-K92 PolarHBondContact O-N 3.03Å; T90-K92 VanDerWaalsContact O-N 3.12Å; K92-F94 PolarHBondContact O-N 3.14Å; K92-L129 HydrophobicContact CG-CD1 4.24Å; K92-L129 HydrophobicContact CG-CD2 4.49Å
93	E	98.3	Very high	98.6	Very high	58 Å²	58	33 Å²	33	27%	0.271	16%	0.16	S	C	.	.			trans	-90.7	39.9	-175	-70.3	172.6	107.3	0	0	112.8	T90 H91 D95 A96 R97 S181	T90-E93 WeakPolarHBondContact CA-OE2 3.21Å; T90-E93 VanDerWaalsContact CB-OE2 3.28Å; T90-E93 WeakPolarHBondContact CB-OE2 3.37Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.44Å; T90-E93 PolarHBondContact N-OE2 3.44Å; T90-E93 PolarHBondContact O-N 3.33Å; T90-E93 WeakPolarHBondContact OG1-CG 3.37Å; T90-E93 PolarHBondContact OG1-OE2 3.06Å; H91-E93 VanDerWaalsContact C-N 3.29Å; H91-E93 PolarHBondContact O-N 2.96Å; E93-D95 VanDerWaalsContact C-N 3.34Å; E93-D95 PolarHBondContact O-N 2.67Å; E93-A96 HydrophobicContact CB-CB 4.12Å; E93-A96 PolarHBondContact O-N 3.46Å; E93-R97 PolarHBondContact O-N 2.98Å; E93-S181 VanDerWaalsContact CD-OG 3.31Å; E93-S181 PolarHBondContact OE1-OG 3.47Å
94	F	98.6	Very high	98.5	Very high	86 Å²	86	33.2 Å²	33.2	38%	0.377	16%	0.16	S	C	.	.	H	α-helix	trans	-56.1	-48.6	175	177.9	-91.3	0	0	0	111.2	K92 A96 R97 Q98 E136	K92-F94 PolarHBondContact O-N 3.14Å; F94-A96 VanDerWaalsContact C-N 3.25Å; F94-A96 PolarHBondContact O-N 3.15Å; F94-R97 PolarHBondContact O-N 3.42Å; F94-R97 VanDerWaalsContact O-N 3.13Å; F94-Q98 HydrophobicContact CE1-CB 4.43Å; F94-Q98 WeakPolarHBondContact O-CB 3.33Å; F94-Q98 PolarHBondContact O-N 3.45Å; F94-E136 HydrophobicContact CD2-CG 4.16Å; F94-E136 WeakPolarHBondContact CD2-OE2 3.4Å; F94-E136 HydrophobicContact CE2-CB 4.44Å; F94-E136 HydrophobicContact CE2-CG 3.87Å
95	D	98.6	Very high	98.5	Very high	112 Å²	112	33.4 Å²	33.4	60%	0.599	16%	0.162	S	C	*	.	H	α-helix	trans	-61.8	-33.4	-179.6	-62.9	-21	0	0	0	112.5	E93 A99 P311	E93-D95 VanDerWaalsContact C-N 3.34Å; E93-D95 PolarHBondContact O-N 2.67Å; D95-A99 VanDerWaalsContact O-CB 3.31Å; D95-A99 WeakPolarHBondContact O-CB 3.34Å; D95-A99 PolarHBondContact O-N 3.1Å; D95-P311 HydrophobicContact CB-CB 4.45Å; D95-P311 HydrophobicContact CB-CG 4.13Å
96	A	98.8	Very high	98.4	Very high	10 Å²	10	36.5 Å²	36.5	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-71.4	-43.2	175.7	0	0	0	0	0	111.6	E93 F94 Q98 A99 I100 P311	E93-A96 HydrophobicContact CB-CB 4.12Å; E93-A96 PolarHBondContact O-N 3.46Å; F94-A96 VanDerWaalsContact C-N 3.25Å; F94-A96 PolarHBondContact O-N 3.15Å; A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q98 PolarHBondContact O-N 3.41Å; A96-A99 PolarHBondContact O-N 3.47Å; A96-I100 WeakPolarHBondContact O-CD1 3.49Å; A96-I100 WeakPolarHBondContact O-CG1 3.44Å; A96-I100 PolarHBondContact O-N 3.41Å; A96-P311 HydrophobicContact CB-CG 4.22Å
97	R	98.8	Very high	98.3	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-45.8	173.2	-68.7	-167.3	-70.3	-78.2	-0.9	110.9	T89 T90 H91 E93 F94 I100 R101 F119 E136	T89-R97 HydrophobicContact CG2-CG 3.98Å; T89-R97 PolarHBondContact OG1-NH1 2.63Å; T90-R97 PolarHBondContact O-NH1 3.41Å; H91-R97 PolarHBondContact O-NH2 3.15Å; E93-R97 PolarHBondContact O-N 2.98Å; F94-R97 PolarHBondContact O-N 3.42Å; F94-R97 VanDerWaalsContact O-N 3.13Å; R97-I100 PolarHBondContact O-N 2.98Å; R97-R101 WeakPolarHBondContact O-CG 3.4Å; R97-R101 PolarHBondContact O-N 2.88Å; R97-F119 HydrophobicContact CB-CD1 4.23Å; R97-F119 HydrophobicContact CB-CD2 4.4Å; R97-F119 HydrophobicContact CB-CE1 3.94Å; R97-F119 HydrophobicContact CB-CE2 4.13Å; R97-F119 HydrophobicContact CB-CG 4.44Å; R97-F119 HydrophobicContact CB-CZ 3.88Å; R97-F119 HydrophobicContact CG-CB 4.46Å; R97-F119 HydrophobicContact CG-CD1 3.57Å; R97-F119 HydrophobicContact CG-CD2 4.24Å; R97-F119 HydrophobicContact CG-CE1 3.74Å; R97-F119 HydrophobicContact CG-CE2 4.39Å; R97-F119 HydrophobicContact CG-CG 3.83Å; R97-F119 HydrophobicContact CG-CZ 4.15Å; R97-F119 WeakPolarHBondContact O-CZ 3.32Å; R97-E136 IonicContact CZ-OE1 3.63Å; R97-E136 IonicContact CZ-OE2 3.91Å; R97-E136 VanDerWaalsContact CZ-OE2 3.24Å; R97-E136 VanDerWaalsContact NE-CD 3.3Å; R97-E136 IonicContact NE-OE1 3.45Å; R97-E136 PolarHBondContact NE-OE1 3.17Å; R97-E136 IonicContact NE-OE2 3.52Å; R97-E136 PolarHBondContact NE-OE2 3.03Å; R97-E136 IonicContact NH2-OE1 3.59Å; R97-E136 IonicContact NH2-OE2 2.82Å; R97-E136 PolarHBondContact NH2-OE2 3.01Å
98	Q	98.8	Very high	98	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-46.7	178.9	-169.1	61	19.5	0	0	112.2	F94 A96 I100 R101 E102	F94-Q98 HydrophobicContact CE1-CB 4.43Å; F94-Q98 WeakPolarHBondContact O-CB 3.33Å; F94-Q98 PolarHBondContact O-N 3.45Å; A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q98 PolarHBondContact O-N 3.41Å; Q98-I100 VanDerWaalsContact C-N 3.26Å; Q98-I100 PolarHBondContact O-N 3.15Å; Q98-R101 PolarHBondContact O-N 3.09Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.36Å; Q98-E102 PolarHBondContact NE2-OE1 3.24Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.07Å
99	A	98.8	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-37.6	176.7	0	0	0	0	0	112.4	D95 A96 E102 T103 P311 M314 H315	D95-A99 VanDerWaalsContact O-CB 3.31Å; D95-A99 WeakPolarHBondContact O-CB 3.34Å; D95-A99 PolarHBondContact O-N 3.1Å; A96-A99 PolarHBondContact O-N 3.47Å; A99-E102 PolarHBondContact O-N 2.9Å; A99-T103 VanDerWaalsContact O-CB 3.3Å; A99-T103 WeakPolarHBondContact O-CB 3.34Å; A99-T103 VanDerWaalsContact O-CG2 3.25Å; A99-T103 WeakPolarHBondContact O-CG2 3.41Å; A99-T103 PolarHBondContact O-N 2.84Å; A99-T103 VanDerWaalsContact O-N 3.11Å; A99-T103 PolarHBondContact O-OG1 3.45Å; A99-P311 HydrophobicContact CB-CB 3.75Å; A99-M314 HydrophobicContact CB-SD 4.1Å; A99-H315 WeakPolarHBondContact CA-NE2 3.25Å; A99-H315 WeakPolarHBondContact CB-NE2 3.37Å
100	I	98.9	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-46.4	176.4	-67.4	167.4	0	0	0	111.1	I87 A96 R97 Q98 E102 T103 W104 G105 F119 M314	I87-I100 HydrophobicContact CD1-CD1 4.26Å; I87-I100 HydrophobicContact CD1-CG2 3.67Å; I87-I100 HydrophobicContact CG2-CD1 4.07Å; A96-I100 WeakPolarHBondContact O-CD1 3.49Å; A96-I100 WeakPolarHBondContact O-CG1 3.44Å; A96-I100 PolarHBondContact O-N 3.41Å; R97-I100 PolarHBondContact O-N 2.98Å; Q98-I100 VanDerWaalsContact C-N 3.26Å; Q98-I100 PolarHBondContact O-N 3.15Å; I100-E102 PolarHBondContact O-N 2.94Å; I100-T103 CarbonylContact O-C 3.59Å; I100-T103 PolarHBondContact O-N 2.99Å; I100-T103 VanDerWaalsContact O-N 3.11Å; I100-W104 HydrophobicContact CB-CZ2 4.17Å; I100-W104 HydrophobicContact CD1-CH2 4.11Å; I100-W104 HydrophobicContact CD1-CZ2 3.6Å; I100-W104 HydrophobicContact CG1-CH2 4.21Å; I100-W104 HydrophobicContact CG1-CZ2 3.47Å; I100-W104 VanDerWaalsContact CG1-CZ2 3.47Å; I100-W104 HydrophobicContact CG2-CD2 4.19Å; I100-W104 HydrophobicContact CG2-CE3 4.18Å; I100-W104 HydrophobicContact CG2-CH2 3.64Å; I100-W104 HydrophobicContact CG2-CZ2 3.65Å; I100-W104 HydrophobicContact CG2-CZ3 3.9Å; I100-G105 VanDerWaalsContact O-CA 3.26Å; I100-G105 WeakPolarHBondContact O-CA 3.14Å; I100-G105 PolarHBondContact O-N 3.34Å; I100-F119 HydrophobicContact CB-CE1 4.23Å; I100-F119 HydrophobicContact CB-CZ 4.14Å; I100-F119 HydrophobicContact CD1-CE1 4.12Å; I100-F119 HydrophobicContact CG2-CE1 4.2Å; I100-F119 HydrophobicContact CG2-CZ 4.09Å; I100-M314 HydrophobicContact CB-SD 4.46Å; I100-M314 HydrophobicContact CD1-CE 4.47Å; I100-M314 HydrophobicContact CG1-CE 3.88Å; I100-M314 HydrophobicContact CG1-SD 3.59Å; I100-M314 VanDerWaalsContact CG1-SD 3.59Å
101	R	98.7	Very high	96.7	Very high	28 Å²	28	48 Å²	48	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-38.2	176.3	-71.2	177.1	-172.5	115.2	5	112.6	R97 Q98 T103 D106 F119 E136 D142	R97-R101 WeakPolarHBondContact O-CG 3.4Å; R97-R101 PolarHBondContact O-N 2.88Å; Q98-R101 PolarHBondContact O-N 3.09Å; R101-T103 VanDerWaalsContact C-N 3.34Å; R101-D106 WeakPolarHBondContact O-CB 3.25Å; R101-F119 HydrophobicContact CG-CE2 3.92Å; R101-F119 HydrophobicContact CG-CZ 4.11Å; R101-E136 IonicContact CZ-OE1 2.82Å; R101-E136 VanDerWaalsContact CZ-OE1 3.22Å; R101-E136 IonicContact NH1-OE1 2.71Å; R101-E136 PolarHBondContact NH1-OE1 2.99Å; R101-E136 IonicContact NH2-OE1 3.77Å; R101-E136 PolarHBondContact NH2-OE1 2.97Å; R101-D142 IonicContact CZ-OD1 2.77Å; R101-D142 IonicContact CZ-OD2 3.71Å; R101-D142 IonicContact NE-OD1 3.24Å; R101-D142 IonicContact NE-OD2 3.78Å; R101-D142 PolarHBondContact NE-OD2 3.24Å; R101-D142 IonicContact NH2-OD1 2.72Å; R101-D142 PolarHBondContact NH2-OD1 3.36Å; R101-D142 IonicContact NH2-OD2 2.66Å; R101-D142 PolarHBondContact NH2-OD2 3.38Å
102	E	98.4	Very high	96.2	Very high	107 Å²	107	54.4 Å²	54.4	50%	0.5	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4	-178.1	-69.5	178.1	-173.5	0	0	113.6	Q98 A99 I100 H315	Q98-E102 WeakPolarHBondContact CG-OE1 3.36Å; Q98-E102 PolarHBondContact NE2-OE1 3.24Å; Q98-E102 WeakPolarHBondContact O-CG 3.32Å; Q98-E102 PolarHBondContact O-N 3.07Å; A99-E102 PolarHBondContact O-N 2.9Å; I100-E102 PolarHBondContact O-N 2.94Å; E102-H315 IonicContact OE2-CE1 3.88Å; E102-H315 PolarHBondContact OE2-CE1 3.47Å; E102-H315 IonicContact OE2-ND1 2.74Å; E102-H315 IonicContact OE2-NE2 3.23Å
103	T	98.6	Very high	96	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-116.1	-177.3	64.5	0	0	0	0	111.9	A99 I100 R101 G105 D106 H315 W318	A99-T103 VanDerWaalsContact O-CB 3.3Å; A99-T103 WeakPolarHBondContact O-CB 3.34Å; A99-T103 VanDerWaalsContact O-CG2 3.25Å; A99-T103 WeakPolarHBondContact O-CG2 3.41Å; A99-T103 PolarHBondContact O-N 2.84Å; A99-T103 VanDerWaalsContact O-N 3.11Å; A99-T103 PolarHBondContact O-OG1 3.45Å; I100-T103 CarbonylContact O-C 3.59Å; I100-T103 PolarHBondContact O-N 2.99Å; I100-T103 VanDerWaalsContact O-N 3.11Å; R101-T103 VanDerWaalsContact C-N 3.34Å; T103-G105 VanDerWaalsContact C-N 3.27Å; T103-G105 PolarHBondContact O-N 2.82Å; T103-D106 PolarHBondContact O-N 3.35Å; T103-H315 WeakPolarHBondContact CG2-ND1 3.41Å; T103-W318 HydrophobicContact CG2-CB 3.66Å; T103-W318 HydrophobicContact CG2-CG 3.76Å; T103-W318 WeakPolarHBondContact O-CZ2 3.46Å
104	W	98.1	Very high	95.9	Very high	4 Å²	4	47 Å²	47	2%	0.015	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.5	-170.3	60.1	-97.9	0	0	0	113.5	I85 I87 I100 T179 I183 F184 V185 M187 M314 W318	I85-W104 HydrophobicContact CD1-CZ3 4.45Å; I85-W104 HydrophobicContact CG2-CZ3 4.16Å; I87-W104 HydrophobicContact CD1-CH2 3.61Å; I87-W104 HydrophobicContact CD1-CZ3 4.02Å; I87-W104 HydrophobicContact CG1-CH2 4.18Å; I100-W104 HydrophobicContact CB-CZ2 4.17Å; I100-W104 HydrophobicContact CD1-CH2 4.11Å; I100-W104 HydrophobicContact CD1-CZ2 3.6Å; I100-W104 HydrophobicContact CG1-CH2 4.21Å; I100-W104 HydrophobicContact CG1-CZ2 3.47Å; I100-W104 VanDerWaalsContact CG1-CZ2 3.47Å; I100-W104 HydrophobicContact CG2-CD2 4.19Å; I100-W104 HydrophobicContact CG2-CE3 4.18Å; I100-W104 HydrophobicContact CG2-CH2 3.64Å; I100-W104 HydrophobicContact CG2-CZ2 3.65Å; I100-W104 HydrophobicContact CG2-CZ3 3.9Å; W104-T179 HydrophobicContact CH2-CG2 3.93Å; W104-I183 WeakPolarHBondContact CZ2-O 3.48Å; W104-I183 PolarHBondContact NE1-O 3.1Å; W104-F184 AromaticContact CD1-CD2 3.85Å; W104-V185 VanDerWaalsContact CB-O 3.28Å; W104-V185 WeakPolarHBondContact CB-O 3.22Å; W104-V185 HydrophobicContact CD2-CB 3.82Å; W104-V185 HydrophobicContact CD2-CG2 3.94Å; W104-V185 HydrophobicContact CE3-CB 3.73Å; W104-V185 HydrophobicContact CE3-CG2 3.76Å; W104-V185 HydrophobicContact CG-CB 4.22Å; W104-V185 HydrophobicContact CH2-CG2 3.91Å; W104-V185 HydrophobicContact CZ2-CG2 4.05Å; W104-V185 HydrophobicContact CZ3-CB 4.25Å; W104-V185 HydrophobicContact CZ3-CG2 3.77Å; W104-M187 HydrophobicContact CB-CG 4.02Å; W104-M187 HydrophobicContact CE3-SD 4.45Å; W104-M187 WeakPolarHBondContact O-CG 3.38Å; W104-M314 PolarHBondContact NE1-SD 2.96Å; W104-W318 HydrophobicContact CB-CE3 4Å; W104-W318 HydrophobicContact CB-CH2 4.41Å; W104-W318 HydrophobicContact CB-CZ3 3.76Å
105	G	98	Very high	95.8	Very high	4 Å²	4	43 Å²	43	4%	0.041	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.9	178.7	0	0	0	0	0	114.4	I100 T103 E107 T117	I100-G105 VanDerWaalsContact O-CA 3.26Å; I100-G105 WeakPolarHBondContact O-CA 3.14Å; I100-G105 PolarHBondContact O-N 3.34Å; T103-G105 VanDerWaalsContact C-N 3.27Å; T103-G105 PolarHBondContact O-N 2.82Å; G105-E107 PolarHBondContact O-N 3.47Å; G105-T117 WeakPolarHBondContact O-CB 3.46Å; G105-T117 PolarHBondContact O-OG1 2.73Å
106	D	97.5	Very high	95.7	Very high	65 Å²	65	37.8 Å²	37.8	35%	0.348	22%	0.217	S	C	.	.			trans	-63.8	116	175.9	174.7	24.1	0	0	0	111.2	R101 T103 G108 T109	R101-D106 WeakPolarHBondContact O-CB 3.25Å; T103-D106 PolarHBondContact O-N 3.35Å; D106-G108 PolarHBondContact O-N 2.76Å; D106-G108 PolarHBondContact OD1-N 2.86Å; D106-T109 WeakPolarHBondContact CB-OG1 3.24Å; D106-T109 PolarHBondContact O-N 3.32Å; D106-T109 PolarHBondContact OD2-N 3.26Å; D106-T109 PolarHBondContact OD2-OG1 3.3Å
107	E	95.3	Very high	95.7	Very high	61 Å²	61	37.4 Å²	37.4	29%	0.285	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.1	179.2	-61.4	-175	-179.5	0	0	112.3	K75 G105 I115 T117	K75-E107 VanDerWaalsContact CE-OE1 3.22Å; K75-E107 WeakPolarHBondContact CE-OE1 2.97Å; K75-E107 IonicContact NZ-OE1 2.68Å; K75-E107 PolarHBondContact NZ-OE1 2.79Å; G105-E107 PolarHBondContact O-N 3.47Å; E107-I115 WeakPolarHBondContact CG-O 3.47Å; E107-T117 PolarHBondContact OE1-N 3.24Å
108	G	93.2	Very high	95.7	Very high	60 Å²	60	37.3 Å²	37.3	62%	0.619	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.4	-178.4	0	0	0	0	0	115.2	D106 Y110	D106-G108 PolarHBondContact O-N 2.76Å; D106-G108 PolarHBondContact OD1-N 2.86Å; G108-Y110 VanDerWaalsContact C-N 3.3Å; G108-Y110 PolarHBondContact O-N 2.8Å
109	T	91.9	Very high	95.7	Very high	55 Å²	55	35.3 Å²	35.3	34%	0.337	20%	0.204	S	C	.	.	S	Bend	trans	-66.8	-28.2	-172.6	-76.1	0	0	0	0	113.4	D106 W318	D106-T109 WeakPolarHBondContact CB-OG1 3.24Å; D106-T109 PolarHBondContact O-N 3.32Å; D106-T109 PolarHBondContact OD2-N 3.26Å; D106-T109 PolarHBondContact OD2-OG1 3.3Å; T109-W318 HydrophobicContact CG2-CH2 4.32Å; T109-W318 HydrophobicContact CG2-CZ2 4.2Å
110	Y	90.9	Very high	95.7	Very high	20 Å²	20	35.4 Å²	35.4	8%	0.078	20%	0.204	C	C	.	.			trans	-115.8	96	-175.8	-66.1	-81.6	0	0	0	111.6	G108 D112 I113 I115 M187 D188 I191 Y192	G108-Y110 VanDerWaalsContact C-N 3.3Å; G108-Y110 PolarHBondContact O-N 2.8Å; Y110-D112 VanDerWaalsContact C-N 3.27Å; Y110-D112 PolarHBondContact O-N 3.3Å; Y110-I113 PolarHBondContact O-N 3.05Å; Y110-I115 HydrophobicContact CD2-CD1 3.43Å; Y110-I115 VanDerWaalsContact CD2-CD1 3.43Å; Y110-I115 HydrophobicContact CE2-CD1 4.23Å; Y110-I115 HydrophobicContact CG-CD1 3.96Å; Y110-M187 HydrophobicContact CE2-CB 3.59Å; Y110-M187 HydrophobicContact CE2-CG 4.31Å; Y110-M187 WeakPolarHBondContact OH-CB 3.46Å; Y110-D188 WeakPolarHBondContact CE1-OD1 3.44Å; Y110-D188 PolarHBondContact OH-N 3.38Å; Y110-D188 PolarHBondContact OH-OD1 2.74Å; Y110-I191 HydrophobicContact CD1-CD1 4.22Å; Y110-I191 HydrophobicContact CD2-CD1 3.9Å; Y110-I191 HydrophobicContact CE1-CD1 4.19Å; Y110-I191 HydrophobicContact CE2-CD1 3.86Å; Y110-I191 HydrophobicContact CG-CD1 4.07Å; Y110-Y192 HydrophobicContact CD1-CE2 4.14Å; Y110-Y192 AromaticContact CE1-CE2 3.78Å; Y110-Y192 HydrophobicContact CE1-CE2 3.78Å
111	S	84.1	Confident	95.7	Very high	112 Å²	112	35.4 Å²	35.4	78%	0.783	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.7	-174.6	58.6	0	0	0	0	114.9
112	D	88.3	Confident	95.7	Very high	147 Å²	147	34 Å²	34	79%	0.786	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.6	-170.9	-55.3	-17.3	0	0	0	112.5	Y110	Y110-D112 VanDerWaalsContact C-N 3.27Å; Y110-D112 PolarHBondContact O-N 3.3Å
113	I	93.5	Very high	95.7	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.072	19%	0.19	C	C	.	.	S	Bend	trans	-137.1	112.1	-171.1	-57.9	173.6	0	0	0	108.8	F82 Y110 I115 I191 Y192 P197	F82-I113 HydrophobicContact CB-CG2 3.56Å; F82-I113 HydrophobicContact CD1-CG2 3.46Å; F82-I113 VanDerWaalsContact CD1-CG2 3.46Å; F82-I113 HydrophobicContact CE1-CG2 4.37Å; F82-I113 HydrophobicContact CG-CG2 3.68Å; Y110-I113 PolarHBondContact O-N 3.05Å; I113-I115 HydrophobicContact CG2-CG1 4.12Å; I113-I115 PolarHBondContact O-N 3.22Å; I113-I191 HydrophobicContact CD1-CG2 3.34Å; I113-Y192 HydrophobicContact CD1-CE1 3.68Å; I113-P197 HydrophobicContact CD1-CB 4.29Å; I113-P197 HydrophobicContact CD1-CG 3.52Å; I113-P197 HydrophobicContact CG1-CG 4.32Å
114	H	95.4	Very high	95.6	Very high	57 Å²	57	34.7 Å²	34.7	26%	0.264	20%	0.2	S	C	.	.			trans	-74.1	117.7	176.7	-167.2	54.2	0	0	0	110.9	I79 F82 L116	I79-H114 HydrophobicContact CG2-CB 3.96Å; I79-H114 WeakPolarHBondContact CG2-CD2 3.42Å; F82-H114 PolarHBondContact N-O 3.12Å; H114-L116 WeakPolarHBondContact NE2-CD2 3.32Å
115	I	97.1	Very high	95.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.3	178.1	-60.4	160.5	0	0	0	107.2	L83 I85 E107 Y110 I113 M187 I191	L83-I115 HydrophobicContact CB-CG1 4.49Å; L83-I115 WeakPolarHBondContact O-CA 3.36Å; I85-I115 HydrophobicContact CD1-CG2 3.85Å; I85-I115 HydrophobicContact CG1-CG2 4.18Å; E107-I115 WeakPolarHBondContact CG-O 3.47Å; Y110-I115 HydrophobicContact CD2-CD1 3.43Å; Y110-I115 VanDerWaalsContact CD2-CD1 3.43Å; Y110-I115 HydrophobicContact CE2-CD1 4.23Å; Y110-I115 HydrophobicContact CG-CD1 3.96Å; I113-I115 HydrophobicContact CG2-CG1 4.12Å; I113-I115 PolarHBondContact O-N 3.22Å; I115-M187 HydrophobicContact CD1-CE 3.98Å; I115-M187 HydrophobicContact CG2-CE 4.42Å; I115-I191 HydrophobicContact CD1-CD1 3.56Å; I115-I191 HydrophobicContact CG1-CD1 4.48Å
116	L	97.5	Very high	95.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.6	171.7	-65.1	177.3	0	0	0	109.9	K75 C76 P81 L83 V84 I85 H114	K75-L116 HydrophobicContact CG-CD1 4.21Å; K75-L116 HydrophobicContact CG-CD2 4.05Å; C76-L116 WeakPolarHBondContact SG-CD1 3.21Å; P81-L116 HydrophobicContact CB-CD1 3.82Å; P81-L116 HydrophobicContact CB-CG 3.91Å; P81-L116 HydrophobicContact CG-CD1 3.79Å; P81-L116 HydrophobicContact CG-CG 4.43Å; L83-L116 PolarHBondContact O-N 3.16Å; V84-L116 CarbonylContact C-O 3.58Å; V84-L116 WeakPolarHBondContact CA-O 3.49Å; I85-L116 PolarHBondContact N-O 3.41Å; H114-L116 WeakPolarHBondContact NE2-CD2 3.32Å
117	T	98.4	Very high	95.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	174.9	-63.3	0	0	0	0	108.5	K75 I87 G105 E107 F119	K75-T117 PolarHBondContact NZ-O 3.35Å; I87-T117 HydrophobicContact CD1-CG2 3.5Å; I87-T117 HydrophobicContact CG1-CG2 4.5Å; G105-T117 WeakPolarHBondContact O-CB 3.46Å; G105-T117 PolarHBondContact O-OG1 2.73Å; E107-T117 PolarHBondContact OE1-N 3.24Å; T117-F119 HydrophobicContact CG2-CE2 4.32Å; T117-F119 HydrophobicContact CG2-CZ 4.13Å
118	V	98.7	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.7	-177.8	-174.7	0	0	0	0	109.9	K75 I85 L86 I87 L120 D142 V144 W165	K75-V118 HydrophobicContact CD-CG2 4.49Å; I85-V118 PolarHBondContact O-N 2.79Å; L86-V118 HydrophobicContact CD2-CB 4.25Å; I87-V118 PolarHBondContact N-O 3.37Å; V118-L120 HydrophobicContact CG1-CD2 3.95Å; V118-D142 CarbonylContact C-O 3.54Å; V118-D142 WeakPolarHBondContact CA-O 3.32Å; V118-V144 HydrophobicContact CG1-CB 4.16Å; V118-V144 HydrophobicContact CG1-CG2 3.55Å; V118-W165 HydrophobicContact CG2-CH2 3.88Å; V118-W165 HydrophobicContact CG2-CZ3 3.95Å
119	F	98.9	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.7	175.2	-59.8	-72.4	0	0	0	110.7	I87 T89 R97 I100 R101 T117 L121 D142 I143 V144	I87-F119 HydrophobicContact CB-CD1 3.74Å; I87-F119 HydrophobicContact CB-CE1 4.09Å; I87-F119 HydrophobicContact CD1-CD1 3.99Å; I87-F119 HydrophobicContact CD1-CE1 3.51Å; I87-F119 HydrophobicContact CD1-CZ 4.17Å; I87-F119 HydrophobicContact CG1-CD1 4.43Å; I87-F119 HydrophobicContact CG1-CE1 4.4Å; I87-F119 HydrophobicContact CG2-CD1 3.91Å; I87-F119 HydrophobicContact CG2-CE1 4.06Å; I87-F119 WeakPolarHBondContact O-CA 3.09Å; T89-F119 HydrophobicContact CG2-CD1 3.72Å; T89-F119 HydrophobicContact CG2-CE1 4.46Å; R97-F119 HydrophobicContact CB-CD1 4.23Å; R97-F119 HydrophobicContact CB-CD2 4.4Å; R97-F119 HydrophobicContact CB-CE1 3.94Å; R97-F119 HydrophobicContact CB-CE2 4.13Å; R97-F119 HydrophobicContact CB-CG 4.44Å; R97-F119 HydrophobicContact CB-CZ 3.88Å; R97-F119 HydrophobicContact CG-CB 4.46Å; R97-F119 HydrophobicContact CG-CD1 3.57Å; R97-F119 HydrophobicContact CG-CD2 4.24Å; R97-F119 HydrophobicContact CG-CE1 3.74Å; R97-F119 HydrophobicContact CG-CE2 4.39Å; R97-F119 HydrophobicContact CG-CG 3.83Å; R97-F119 HydrophobicContact CG-CZ 4.15Å; R97-F119 WeakPolarHBondContact O-CZ 3.32Å; I100-F119 HydrophobicContact CB-CE1 4.23Å; I100-F119 HydrophobicContact CB-CZ 4.14Å; I100-F119 HydrophobicContact CD1-CE1 4.12Å; I100-F119 HydrophobicContact CG2-CE1 4.2Å; I100-F119 HydrophobicContact CG2-CZ 4.09Å; R101-F119 HydrophobicContact CG-CE2 3.92Å; R101-F119 HydrophobicContact CG-CZ 4.11Å; T117-F119 HydrophobicContact CG2-CE2 4.32Å; T117-F119 HydrophobicContact CG2-CZ 4.13Å; F119-L121 HydrophobicContact CB-CD1 4.41Å; F119-D142 HydrophobicContact CD2-CB 4.37Å; F119-D142 WeakPolarHBondContact CE2-OD2 3.47Å; F119-D142 PolarHBondContact N-O 3.17Å; F119-I143 HydrophobicContact CB-CG1 4.41Å; F119-V144 PolarHBondContact O-N 3.29Å
120	L	98.9	Very high	96.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.1	-174.7	-58.8	-169.5	0	0	0	110.7	L86 I87 T89 V118 V144 K158 M161	L86-L120 HydrophobicContact CB-CD1 3.9Å; L86-L120 HydrophobicContact CB-CG 4.43Å; L86-L120 HydrophobicContact CD2-CD1 4.43Å; L86-L120 HydrophobicContact CD2-CD2 4.29Å; I87-L120 PolarHBondContact O-N 3.09Å; T89-L120 PolarHBondContact N-O 3Å; T89-L120 VanDerWaalsContact N-O 3.16Å; V118-L120 HydrophobicContact CG1-CD2 3.95Å; L120-V144 HydrophobicContact CD2-CB 4.06Å; L120-K158 HydrophobicContact CB-CD 4.3Å; L120-K158 HydrophobicContact CB-CG 3.96Å; L120-K158 WeakPolarHBondContact O-CD 3.28Å; L120-M161 HydrophobicContact CB-CE 3.49Å; L120-M161 VanDerWaalsContact CB-CE 3.49Å; L120-M161 HydrophobicContact CD1-CE 4.13Å; L120-M161 HydrophobicContact CD2-CE 3.75Å; L120-M161 HydrophobicContact CG-CE 3.97Å
121	L	98.7	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.6	175	-54.9	89.1	0	0	0	111.4	F119 V133 I143 V144 V145 E146	F119-L121 HydrophobicContact CB-CD1 4.41Å; L121-V133 HydrophobicContact CD2-CG1 4.32Å; L121-V133 HydrophobicContact CD2-CG2 4.05Å; L121-I143 HydrophobicContact CD1-CG2 3.61Å; L121-V144 PolarHBondContact N-O 3.43Å; L121-V145 HydrophobicContact CB-CG2 4.19Å; L121-V145 HydrophobicContact CD1-CG2 4.48Å; L121-V145 WeakPolarHBondContact O-CA 3.29Å; L121-E146 PolarHBondContact O-N 2.94Å
122	G	98.3	Very high	97.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-168	158.1	0	0	0	0	0	110.1	H91 F148 D150	H91-G122 PolarHBondContact CE1-O 3.06Å; H91-G122 PolarHBondContact NE2-O 3.34Å; G122-F148 CarbonylContact C-O 3.6Å; G122-F148 WeakPolarHBondContact CA-O 3.24Å; G122-D150 PolarHBondContact N-OD2 3.34Å
123	R	97.6	Very high	97.7	Very high	82 Å²	82	40.8 Å²	40.8	31%	0.309	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	146	168	-75	-161.7	78	146.8	0.9	112.6	V69 D127 V145 N147 F148 D150	V69-R123 HydrophobicContact CG2-CG 4.33Å; R123-D127 IonicContact NH2-OD1 3.22Å; R123-V145 HydrophobicContact CG-CG1 4.44Å; R123-N147 WeakPolarHBondContact CD-OD1 3.22Å; R123-F148 PolarHBondContact N-O 3.34Å; R123-D150 PolarHBondContact O-N 2.69Å
124	N	97.8	Very high	98	Very high	39 Å²	39	45 Å²	45	21%	0.209	23%	0.231	C	C	.	.			trans	-87.8	154.8	165	-147.6	-68.8	0	0	0	111.3	H91 D126 L129 N130	H91-N124 PolarHBondContact CE1-N 3.12Å; H91-N124 VanDerWaalsContact CE1-N 3.28Å; H91-N124 PolarHBondContact ND1-ND2 3.13Å; H91-N124 PolarHBondContact NE2-N 2.56Å; N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 WeakPolarHBondContact OD1-CB 3.04Å; N124-D126 PolarHBondContact OD1-N 2.87Å; N124-L129 HydrophobicContact CB-CB 4.24Å; N124-N130 WeakPolarHBondContact CB-OD1 3.05Å; N124-N130 PolarHBondContact N-OD1 2.93Å; N124-N130 PolarHBondContact O-ND2 2.89Å
125	T	97.1	Very high	98.1	Very high	117 Å²	117	47.1 Å²	47.1	72%	0.718	24%	0.241	S	C	*	.	S	Bend	trans	-76.4	-18.3	167.3	52.8	0	0	0	0	112.5	I149	T125-I149 HydrophobicContact CG2-CD1 4.06Å
126	D	97.6	Very high	98.2	Very high	72 Å²	72	47.4 Å²	47.4	39%	0.385	24%	0.242	S	C	.	.			trans	-90	112.2	174	-172.9	-22.5	0	0	0	110.1	N124 V128 L129 N130	N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 WeakPolarHBondContact OD1-CB 3.04Å; N124-D126 PolarHBondContact OD1-N 2.87Å; D126-V128 VanDerWaalsContact C-N 3.27Å; D126-V128 PolarHBondContact O-N 3.34Å; D126-V128 WeakPolarHBondContact OD1-CB 3.36Å; D126-V128 PolarHBondContact OD1-N 2.78Å; D126-L129 HydrophobicContact CB-CB 4.22Å; D126-L129 HydrophobicContact CB-CD1 3.99Å; D126-L129 HydrophobicContact CB-CG 4.04Å; D126-L129 PolarHBondContact O-N 2.86Å; D126-N130 PolarHBondContact O-N 3.25Å; D126-N130 PolarHBondContact O-ND2 3.37Å
127	D	96.8	Very high	98.2	Very high	110 Å²	110	47.5 Å²	47.5	59%	0.588	24%	0.243	S	C	*	.	H	α-helix	trans	-67.2	-26.4	-178.6	-73.5	-33.4	0	0	0	113.5	R123 L129 N130 Q131	R123-D127 IonicContact NH2-OD1 3.22Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-N130 PolarHBondContact O-N 2.71Å; D127-N130 PolarHBondContact OD1-ND2 3.41Å; D127-Q131 WeakPolarHBondContact O-CB 3.32Å; D127-Q131 PolarHBondContact O-N 2.9Å
128	V	98.1	Very high	98.2	Very high	91 Å²	91	53.4 Å²	53.4	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-65	-43.3	174.7	-179.4	0	0	0	0	109.5	D126 N130 Q131 M132	D126-V128 VanDerWaalsContact C-N 3.27Å; D126-V128 PolarHBondContact O-N 3.34Å; D126-V128 WeakPolarHBondContact OD1-CB 3.36Å; D126-V128 PolarHBondContact OD1-N 2.78Å; V128-N130 VanDerWaalsContact C-N 3.35Å; V128-N130 PolarHBondContact O-N 3.02Å; V128-Q131 PolarHBondContact O-N 3.12Å; V128-M132 HydrophobicContact CG1-SD 4.43Å; V128-M132 WeakPolarHBondContact O-CG 3.39Å; V128-M132 PolarHBondContact O-N 2.64Å
129	L	98.1	Very high	98.2	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-37.7	176.3	-67.5	-177.8	0	0	0	112.2	H91 K92 N124 D126 D127 M132 V133	H91-L129 HydrophobicContact CB-CB 3.95Å; H91-L129 HydrophobicContact CB-CD1 4.35Å; K92-L129 HydrophobicContact CG-CD1 4.24Å; K92-L129 HydrophobicContact CG-CD2 4.49Å; N124-L129 HydrophobicContact CB-CB 4.24Å; D126-L129 HydrophobicContact CB-CB 4.22Å; D126-L129 HydrophobicContact CB-CD1 3.99Å; D126-L129 HydrophobicContact CB-CG 4.04Å; D126-L129 PolarHBondContact O-N 2.86Å; D127-L129 VanDerWaalsContact C-N 3.33Å; L129-M132 HydrophobicContact CD2-SD 4.37Å; L129-M132 PolarHBondContact O-N 2.6Å; L129-V133 PolarHBondContact O-N 3.42Å
130	N	98.3	Very high	98.2	Very high	20 Å²	20	62.6 Å²	62.6	11%	0.107	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-46.1	174.4	-68.2	-40.9	0	0	0	111	H91 N124 D126 D127 V128 M132 V133 E134	H91-N130 PolarHBondContact NE2-OD1 3.41Å; N124-N130 WeakPolarHBondContact CB-OD1 3.05Å; N124-N130 PolarHBondContact N-OD1 2.93Å; N124-N130 PolarHBondContact O-ND2 2.89Å; D126-N130 PolarHBondContact O-N 3.25Å; D126-N130 PolarHBondContact O-ND2 3.37Å; D127-N130 PolarHBondContact O-N 2.71Å; D127-N130 PolarHBondContact OD1-ND2 3.41Å; V128-N130 VanDerWaalsContact C-N 3.35Å; V128-N130 PolarHBondContact O-N 3.02Å; N130-M132 PolarHBondContact O-N 3.49Å; N130-V133 PolarHBondContact O-N 3.34Å; N130-E134 PolarHBondContact O-N 2.96Å
131	Q	98.3	Very high	98.1	Very high	111 Å²	111	67.4 Å²	67.4	52%	0.519	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-38.5	179.7	-172.2	178.9	4.3	0	0	112.4	D127 V128 V133 E134 Q135	D127-Q131 WeakPolarHBondContact O-CB 3.32Å; D127-Q131 PolarHBondContact O-N 2.9Å; V128-Q131 PolarHBondContact O-N 3.12Å; Q131-V133 VanDerWaalsContact C-N 3.34Å; Q131-V133 PolarHBondContact O-N 3.04Å; Q131-E134 PolarHBondContact O-N 2.88Å; Q131-Q135 WeakPolarHBondContact O-CG 3.49Å; Q131-Q135 PolarHBondContact O-N 2.76Å
132	M	98.4	Very high	98.1	Very high	108 Å²	108	68 Å²	68	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-41	175.5	-71	177.7	74.3	0	0	112.1	V128 L129 N130 Q135 E136	V128-M132 HydrophobicContact CG1-SD 4.43Å; V128-M132 WeakPolarHBondContact O-CG 3.39Å; V128-M132 PolarHBondContact O-N 2.64Å; L129-M132 HydrophobicContact CD2-SD 4.37Å; L129-M132 PolarHBondContact O-N 2.6Å; N130-M132 PolarHBondContact O-N 3.49Å; M132-Q135 PolarHBondContact O-N 3.32Å; M132-E136 WeakPolarHBondContact O-CB 3.47Å; M132-E136 PolarHBondContact O-N 3.23Å
133	V	98.7	Very high	98.1	Very high	3 Å²	3	68 Å²	68	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-36.4	176.1	169	0	0	0	0	111.5	I70 H91 L121 L129 N130 Q131 E136 S137 I143 V145	I70-V133 HydrophobicContact CD1-CG1 4.2Å; H91-V133 HydrophobicContact CB-CG2 4.13Å; L121-V133 HydrophobicContact CD2-CG1 4.32Å; L121-V133 HydrophobicContact CD2-CG2 4.05Å; L129-V133 PolarHBondContact O-N 3.42Å; N130-V133 PolarHBondContact O-N 3.34Å; Q131-V133 VanDerWaalsContact C-N 3.34Å; Q131-V133 PolarHBondContact O-N 3.04Å; V133-E136 PolarHBondContact O-N 2.87Å; V133-S137 WeakPolarHBondContact O-CB 3.23Å; V133-S137 PolarHBondContact O-N 2.96Å; V133-I143 HydrophobicContact CG1-CD1 4.18Å; V133-I143 HydrophobicContact CG1-CG2 3.82Å; V133-V145 HydrophobicContact CG1-CG2 4.11Å
134	E	98.4	Very high	98.2	Very high	102 Å²	102	64 Å²	64	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174.5	-173.3	176.5	-167.5	0	0	111.8	I70 N130 Q131 E136 S137 Q138	I70-E134 HydrophobicContact CD1-CB 4.19Å; N130-E134 PolarHBondContact O-N 2.96Å; Q131-E134 PolarHBondContact O-N 2.88Å; E134-E136 PolarHBondContact O-N 2.03Å; E134-S137 WeakPolarHBondContact O-CB 3.34Å; E134-S137 PolarHBondContact O-N 2.95Å; E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.76Å
135	Q	98.5	Very high	98.2	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-43	175.1	-71.6	173.8	-14	0	0	112	Q131 M132 S137 Q138 I139	Q131-Q135 WeakPolarHBondContact O-CG 3.49Å; Q131-Q135 PolarHBondContact O-N 2.76Å; M132-Q135 PolarHBondContact O-N 3.32Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-S137 PolarHBondContact O-N 3.04Å; Q135-Q138 PolarHBondContact O-N 2.85Å; Q135-I139 WeakPolarHBondContact O-CG1 3.12Å; Q135-I139 PolarHBondContact O-N 2.75Å
136	E	98.7	Very high	98.3	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-44.5	174	-176.4	-175.8	175.8	0	0	111.3	F94 R97 R101 M132 V133 E134 Q138 I139 F140 I143	F94-E136 HydrophobicContact CD2-CG 4.16Å; F94-E136 WeakPolarHBondContact CD2-OE2 3.4Å; F94-E136 HydrophobicContact CE2-CB 4.44Å; F94-E136 HydrophobicContact CE2-CG 3.87Å; R97-E136 IonicContact CZ-OE1 3.63Å; R97-E136 IonicContact CZ-OE2 3.91Å; R97-E136 VanDerWaalsContact CZ-OE2 3.24Å; R97-E136 VanDerWaalsContact NE-CD 3.3Å; R97-E136 IonicContact NE-OE1 3.45Å; R97-E136 PolarHBondContact NE-OE1 3.17Å; R97-E136 IonicContact NE-OE2 3.52Å; R97-E136 PolarHBondContact NE-OE2 3.03Å; R97-E136 IonicContact NH2-OE1 3.59Å; R97-E136 IonicContact NH2-OE2 2.82Å; R97-E136 PolarHBondContact NH2-OE2 3.01Å; R101-E136 IonicContact CZ-OE1 2.82Å; R101-E136 VanDerWaalsContact CZ-OE1 3.22Å; R101-E136 IonicContact NH1-OE1 2.71Å; R101-E136 PolarHBondContact NH1-OE1 2.99Å; R101-E136 IonicContact NH2-OE1 3.77Å; R101-E136 PolarHBondContact NH2-OE1 2.97Å; M132-E136 WeakPolarHBondContact O-CB 3.47Å; M132-E136 PolarHBondContact O-N 3.23Å; V133-E136 PolarHBondContact O-N 2.87Å; E134-E136 PolarHBondContact O-N 2.03Å; E136-Q138 VanDerWaalsContact C-N 3.29Å; E136-Q138 PolarHBondContact O-N 2.95Å; E136-I139 PolarHBondContact O-N 3.2Å; E136-F140 HydrophobicContact CG-CD2 3.63Å; E136-F140 HydrophobicContact CG-CE2 4.02Å; E136-F140 WeakPolarHBondContact O-CD2 3.36Å; E136-F140 PolarHBondContact O-N 2.98Å; E136-I143 HydrophobicContact CB-CD1 4.02Å; E136-I143 HydrophobicContact CG-CD1 3.7Å
137	S	98.6	Very high	98.3	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-35.3	179.6	-166.8	0	0	0	0	112.9	I70 V133 E134 Q135 I139 H141	I70-S137 WeakPolarHBondContact CG2-OG 3.12Å; V133-S137 WeakPolarHBondContact O-CB 3.23Å; V133-S137 PolarHBondContact O-N 2.96Å; E134-S137 WeakPolarHBondContact O-CB 3.34Å; E134-S137 PolarHBondContact O-N 2.95Å; Q135-S137 VanDerWaalsContact C-N 3.33Å; Q135-S137 PolarHBondContact O-N 3.04Å; S137-I139 PolarHBondContact O-N 2.95Å; S137-H141 WeakPolarHBondContact O-CA 3.32Å; S137-H141 PolarHBondContact O-N 3.21Å; S137-H141 PolarHBondContact O-ND1 3.42Å
138	Q	98.2	Very high	98.3	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-66.6	-18.8	176.3	-71.3	173.2	5.7	0	0	113.2	E134 Q135 E136 H141	E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.76Å; Q135-Q138 PolarHBondContact O-N 2.85Å; E136-Q138 VanDerWaalsContact C-N 3.29Å; E136-Q138 PolarHBondContact O-N 2.95Å; Q138-H141 PolarHBondContact O-NE2 3.08Å
139	I	98.1	Very high	98.3	Very high	122 Å²	122	52.1 Å²	52.1	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-95	-47.8	179.4	-63	167	0	0	0	110.3	Q135 E136 S137	Q135-I139 WeakPolarHBondContact O-CG1 3.12Å; Q135-I139 PolarHBondContact O-N 2.75Å; E136-I139 PolarHBondContact O-N 3.2Å; S137-I139 PolarHBondContact O-N 2.95Å
140	F	98.3	Very high	98.3	Very high	71 Å²	71	52.1 Å²	52.1	31%	0.311	25%	0.253	S	S	.	.	H	α-helix	trans	-101.1	-18.9	-167.9	-62.7	-74.5	0	0	0	114.8	E136 D142	E136-F140 HydrophobicContact CG-CD2 3.63Å; E136-F140 HydrophobicContact CG-CE2 4.02Å; E136-F140 WeakPolarHBondContact O-CD2 3.36Å; E136-F140 PolarHBondContact O-N 2.98Å; F140-D142 WeakPolarHBondContact CB-OD1 3.37Å; F140-D142 PolarHBondContact O-N 3.31Å
141	H	97.8	Very high	98.2	Very high	102 Å²	102	53 Å²	53	47%	0.472	26%	0.262	S	S	.	.			trans	50.5	41.5	178.3	-63.9	-67.2	0	0	0	114.3	E72 K75 S137 Q138	E72-H141 WeakPolarHBondContact OE1-CA 3.01Å; E72-H141 IonicContact OE1-ND1 3.9Å; E72-H141 IonicContact OE2-ND1 3.5Å; K75-H141 PolarHBondContact NZ-O 2.8Å; K75-H141 VanDerWaalsContact NZ-O 3.16Å; S137-H141 WeakPolarHBondContact O-CA 3.32Å; S137-H141 PolarHBondContact O-N 3.21Å; S137-H141 PolarHBondContact O-ND1 3.42Å; Q138-H141 PolarHBondContact O-NE2 3.08Å
142	D	98.3	Very high	97.9	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.059	26%	0.257	C	S	.	.			trans	-136.2	17.8	-175.4	64.7	6.5	0	0	0	113.7	K75 R101 V118 F119 F140	K75-D142 VanDerWaalsContact NZ-CB 3.3Å; R101-D142 IonicContact CZ-OD1 2.77Å; R101-D142 IonicContact CZ-OD2 3.71Å; R101-D142 IonicContact NE-OD1 3.24Å; R101-D142 IonicContact NE-OD2 3.78Å; R101-D142 PolarHBondContact NE-OD2 3.24Å; R101-D142 IonicContact NH2-OD1 2.72Å; R101-D142 PolarHBondContact NH2-OD1 3.36Å; R101-D142 IonicContact NH2-OD2 2.66Å; R101-D142 PolarHBondContact NH2-OD2 3.38Å; V118-D142 CarbonylContact C-O 3.54Å; V118-D142 WeakPolarHBondContact CA-O 3.32Å; F119-D142 HydrophobicContact CD2-CB 4.37Å; F119-D142 WeakPolarHBondContact CE2-OD2 3.47Å; F119-D142 PolarHBondContact N-O 3.17Å; F140-D142 WeakPolarHBondContact CB-OD1 3.37Å; F140-D142 PolarHBondContact O-N 3.31Å
143	I	98.8	Very high	97.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.1	-176.7	-60	-176.2	0	0	0	109.7	I70 F119 L121 V133 E136 V145	I70-I143 WeakPolarHBondContact CG2-O 3.38Å; F119-I143 HydrophobicContact CB-CG1 4.41Å; L121-I143 HydrophobicContact CD1-CG2 3.61Å; V133-I143 HydrophobicContact CG1-CD1 4.18Å; V133-I143 HydrophobicContact CG1-CG2 3.82Å; E136-I143 HydrophobicContact CB-CD1 4.02Å; E136-I143 HydrophobicContact CG-CD1 3.7Å; I143-V145 HydrophobicContact CG2-CG2 3.69Å
144	V	98.8	Very high	97.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.2	168.8	174.9	0	0	0	0	108.9	F68 V118 F119 L120 L121 M161 W165	F68-V144 HydrophobicContact CD1-CG1 3.72Å; F68-V144 HydrophobicContact CE1-CG1 3.76Å; V118-V144 HydrophobicContact CG1-CB 4.16Å; V118-V144 HydrophobicContact CG1-CG2 3.55Å; F119-V144 PolarHBondContact O-N 3.29Å; L120-V144 HydrophobicContact CD2-CB 4.06Å; L121-V144 PolarHBondContact N-O 3.43Å; V144-M161 HydrophobicContact CG1-CE 4.4Å; V144-M161 HydrophobicContact CG1-SD 4.18Å; V144-W165 HydrophobicContact CG1-CG 4.32Å; V144-W165 HydrophobicContact CG2-CD2 4.21Å; V144-W165 HydrophobicContact CG2-CG 4.21Å; V144-W165 HydrophobicContact CG2-CZ2 4.33Å
145	V	98.8	Very high	97.7	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.5	178.6	-174.9	0	0	0	0	109.5	F68 V69 I70 L121 R123 V133 I143	F68-V145 CarbonylContact C-O 3.6Å; F68-V145 WeakPolarHBondContact CA-O 3.43Å; V69-V145 HydrophobicContact CB-CB 4.41Å; V69-V145 HydrophobicContact CB-CG1 4.25Å; V69-V145 PolarHBondContact N-O 2.98Å; I70-V145 HydrophobicContact CB-CB 3.92Å; I70-V145 HydrophobicContact CB-CG2 3.91Å; I70-V145 HydrophobicContact CD1-CB 4.41Å; I70-V145 HydrophobicContact CD1-CG2 3.82Å; I70-V145 HydrophobicContact CG1-CB 4.16Å; I70-V145 HydrophobicContact CG1-CG2 4.08Å; I70-V145 PolarHBondContact N-O 2.93Å; I70-V145 PolarHBondContact O-N 3.33Å; L121-V145 HydrophobicContact CB-CG2 4.19Å; L121-V145 HydrophobicContact CD1-CG2 4.48Å; L121-V145 WeakPolarHBondContact O-CA 3.29Å; R123-V145 HydrophobicContact CG-CG1 4.44Å; V133-V145 HydrophobicContact CG1-CG2 4.11Å; I143-V145 HydrophobicContact CG2-CG2 3.69Å
146	E	98.1	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.6	174.1	-162.9	-171.9	-143.5	0	0	110.9	H64 F66 E67 F68 L121 F148 M161 R164	H64-E146 IonicContact CD2-OE1 2.65Å; H64-E146 PolarHBondContact CD2-OE1 3.15Å; H64-E146 IonicContact CD2-OE2 3.98Å; H64-E146 IonicContact CE1-OE2 3.08Å; H64-E146 IonicContact NE2-OE1 3.3Å; H64-E146 PolarHBondContact NE2-OE1 2.91Å; H64-E146 IonicContact NE2-OE2 3.51Å; H64-E146 PolarHBondContact NE2-OE2 2.84Å; F66-E146 VanDerWaalsContact CB-CD 3.5Å; F66-E146 HydrophobicContact CB-CG 3.48Å; F66-E146 VanDerWaalsContact CB-CG 3.48Å; E67-E146 CarbonylContact O-C 3.58Å; E67-E146 WeakPolarHBondContact O-CA 3.45Å; E67-E146 VanDerWaalsContact O-CG 3.31Å; E67-E146 WeakPolarHBondContact O-CG 3.47Å; F68-E146 HydrophobicContact CD1-CB 4.17Å; F68-E146 HydrophobicContact CD1-CG 4.25Å; F68-E146 HydrophobicContact CE1-CG 4.5Å; L121-E146 PolarHBondContact O-N 2.94Å; E146-F148 HydrophobicContact CB-CD1 4.1Å; E146-F148 HydrophobicContact CB-CE1 3.92Å; E146-F148 HydrophobicContact CG-CD1 4.42Å; E146-F148 PolarHBondContact O-N 2.91Å; E146-F148 WeakPolarHBondContact OE2-CE1 3.12Å; E146-M161 HydrophobicContact CB-CG 3.65Å; E146-M161 HydrophobicContact CB-SD 3.23Å; E146-M161 WeakPolarHBondContact CB-SD 3.26Å; E146-M161 HydrophobicContact CG-CG 4.25Å; E146-M161 HydrophobicContact CG-SD 4.4Å; E146-M161 VanDerWaalsContact OE2-CB 3.26Å; E146-M161 WeakPolarHBondContact OE2-CB 3.42Å; E146-M161 WeakPolarHBondContact OE2-CG 3.46Å; E146-R164 IonicContact OE1-CZ 3.91Å; E146-R164 IonicContact OE1-NH1 3.66Å; E146-R164 PolarHBondContact OE1-NH1 3.43Å
147	N	97.6	Very high	97.7	Very high	77 Å²	77	48.1 Å²	48.1	41%	0.412	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	54.4	-167.3	-165.7	22.3	0	0	0	114.8	F66 E67 V69 R123	F66-N147 WeakPolarHBondContact CD1-O 3.22Å; E67-N147 PolarHBondContact O-N 2.97Å; V69-N147 HydrophobicContact CG2-CB 3.82Å; R123-N147 WeakPolarHBondContact CD-OD1 3.22Å
148	F	97.7	Very high	97.7	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.6	168	64.5	-98.1	0	0	0	110.2	F66 G122 R123 E146 D150 N154 L157 K158 M161	F66-F148 HydrophobicContact CD1-CB 3.91Å; F66-F148 HydrophobicContact CD2-CB 4.35Å; F66-F148 HydrophobicContact CD2-CD1 4.34Å; F66-F148 HydrophobicContact CE1-CB 3.72Å; F66-F148 HydrophobicContact CE2-CB 4.2Å; F66-F148 HydrophobicContact CG-CB 4.22Å; F66-F148 HydrophobicContact CG-CD1 4.45Å; F66-F148 HydrophobicContact CZ-CB 3.88Å; G122-F148 CarbonylContact C-O 3.6Å; G122-F148 WeakPolarHBondContact CA-O 3.24Å; R123-F148 PolarHBondContact N-O 3.34Å; E146-F148 HydrophobicContact CB-CD1 4.1Å; E146-F148 HydrophobicContact CB-CE1 3.92Å; E146-F148 HydrophobicContact CG-CD1 4.42Å; E146-F148 PolarHBondContact O-N 2.91Å; E146-F148 WeakPolarHBondContact OE2-CE1 3.12Å; F148-D150 PolarHBondContact O-N 2.89Å; F148-N154 HydrophobicContact CD2-CB 4.23Å; F148-N154 HydrophobicContact CE2-CB 4.46Å; F148-L157 HydrophobicContact CB-CD1 4.17Å; F148-L157 HydrophobicContact CD1-CB 4.17Å; F148-L157 HydrophobicContact CD2-CB 4.13Å; F148-L157 HydrophobicContact CD2-CD1 4.34Å; F148-L157 HydrophobicContact CE1-CB 4.21Å; F148-L157 HydrophobicContact CE2-CB 4.2Å; F148-L157 HydrophobicContact CG-CB 4.16Å; F148-L157 HydrophobicContact CG-CD1 4.19Å; F148-L157 HydrophobicContact CZ-CB 4.27Å; F148-K158 HydrophobicContact CE2-CB 4.16Å; F148-K158 VanDerWaalsContact CZ-CA 3.48Å; F148-K158 HydrophobicContact CZ-CB 3.73Å; F148-K158 HydrophobicContact CZ-CG 4.33Å; F148-M161 HydrophobicContact CE1-CB 4.23Å; F148-M161 HydrophobicContact CE1-SD 4Å; F148-M161 HydrophobicContact CZ-SD 4.41Å
149	I	97.8	Very high	97.7	Very high	88 Å²	88	42.1 Å²	42.1	45%	0.451	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.9	179.5	-61.5	-59.1	0	0	0	110.7	T125 S151 N154	T125-I149 HydrophobicContact CG2-CD1 4.06Å; I149-S151 PolarHBondContact O-N 2.76Å; I149-N154 WeakPolarHBondContact O-CB 3.38Å; I149-N154 PolarHBondContact O-ND2 3.39Å
150	D	97.3	Very high	97.7	Very high	25 Å²	25	36.5 Å²	36.5	13%	0.134	18%	0.179	C	C	.	.			trans	-72.6	114.7	177.2	-157.4	-24.3	0	0	0	110.7	G122 R123 F148 K158	G122-D150 PolarHBondContact N-OD2 3.34Å; R123-D150 PolarHBondContact O-N 2.69Å; F148-D150 PolarHBondContact O-N 2.89Å; D150-K158 VanDerWaalsContact OD1-CE 3.26Å; D150-K158 WeakPolarHBondContact OD1-CE 3.1Å; D150-K158 IonicContact OD1-NZ 3.38Å; D150-K158 PolarHBondContact OD1-NZ 3.34Å; D150-K158 WeakPolarHBondContact OD2-CE 3.23Å; D150-K158 IonicContact OD2-NZ 3.66Å; D150-K158 PolarHBondContact OD2-NZ 3.03Å
151	S	96.4	Very high	97.7	Very high	40 Å²	40	33.1 Å²	33.1	28%	0.28	16%	0.164	S	C	.	.			trans	-155.6	161.8	177	70.6	0	0	0	0	110.4	I149 H153 N154 L155	I149-S151 PolarHBondContact O-N 2.76Å; S151-H153 PolarHBondContact O-N 3.48Å; S151-N154 CarbonylContact O-C 3.49Å; S151-N154 PolarHBondContact O-N 2.9Å; S151-N154 PolarHBondContact OG-N 3.44Å; S151-N154 PolarHBondContact OG-ND2 3.38Å; S151-L155 PolarHBondContact O-N 3.37Å
152	Y	93.6	Very high	97.8	Very high	107 Å²	107	28.3 Å²	28.3	42%	0.42	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-55.7	-38.9	175.5	-172.4	-98	0	0	0	112.4	N154 L155 W223	Y152-N154 PolarHBondContact O-N 2.74Å; Y152-L155 HydrophobicContact CD2-CD1 3.53Å; Y152-L155 HydrophobicContact CD2-CG 4.48Å; Y152-L155 HydrophobicContact CE2-CD1 3.59Å; Y152-L155 HydrophobicContact CG-CD1 4.19Å; Y152-L155 WeakPolarHBondContact O-CB 3.3Å; Y152-L155 VanDerWaalsContact O-CG 3.28Å; Y152-L155 WeakPolarHBondContact O-CG 3.31Å; Y152-L155 PolarHBondContact O-N 3.5Å; Y152-W223 PolarHBondContact OH-NE1 3.19Å
153	H	95	Very high	97.8	Very high	117 Å²	117	27.8 Å²	27.8	54%	0.542	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-68.8	-21	177.9	-74.3	-71.8	0	0	0	113.6	S151 H265	S151-H153 PolarHBondContact O-N 3.48Å; H153-H265 HydrophobicContact CB-CB 4.33Å; H153-H265 AromaticContact ND1-CD2 3.57Å; H153-H265 AromaticContact ND1-CG 3.76Å; H153-H265 VanDerWaalsContact O-CB 3.3Å; H153-H265 WeakPolarHBondContact O-CB 3.4Å
154	N	97.6	Very high	97.8	Very high	46 Å²	46	30.4 Å²	30.4	25%	0.246	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-99.9	11.5	178.7	-70.2	-20.8	0	0	0	113.3	F148 I149 S151 Y152 T156 L157 K158	F148-N154 HydrophobicContact CD2-CB 4.23Å; F148-N154 HydrophobicContact CE2-CB 4.46Å; I149-N154 WeakPolarHBondContact O-CB 3.38Å; I149-N154 PolarHBondContact O-ND2 3.39Å; S151-N154 CarbonylContact O-C 3.49Å; S151-N154 PolarHBondContact O-N 2.9Å; S151-N154 PolarHBondContact OG-N 3.44Å; S151-N154 PolarHBondContact OG-ND2 3.38Å; Y152-N154 PolarHBondContact O-N 2.74Å; N154-T156 PolarHBondContact O-N 3.44Å; N154-T156 VanDerWaalsContact O-N 3.13Å; N154-L157 HydrophobicContact CB-CD1 4.26Å; N154-L157 WeakPolarHBondContact O-CB 3.43Å; N154-L157 PolarHBondContact O-N 2.84Å; N154-K158 PolarHBondContact O-N 3.02Å; N154-K158 VanDerWaalsContact O-N 3.1Å
155	L	97.8	Very high	97.8	Very high	36 Å²	36	30.4 Å²	30.4	19%	0.188	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-31.7	174.7	-76.4	176	0	0	0	112.8	S151 Y152 K158 T159 E267	S151-L155 PolarHBondContact O-N 3.37Å; Y152-L155 HydrophobicContact CD2-CD1 3.53Å; Y152-L155 HydrophobicContact CD2-CG 4.48Å; Y152-L155 HydrophobicContact CE2-CD1 3.59Å; Y152-L155 HydrophobicContact CG-CD1 4.19Å; Y152-L155 WeakPolarHBondContact O-CB 3.3Å; Y152-L155 VanDerWaalsContact O-CG 3.28Å; Y152-L155 WeakPolarHBondContact O-CG 3.31Å; Y152-L155 PolarHBondContact O-N 3.5Å; L155-K158 HydrophobicContact CD2-CD 4.38Å; L155-K158 PolarHBondContact O-N 2.86Å; L155-T159 PolarHBondContact O-N 3.49Å; L155-T159 PolarHBondContact O-OG1 3Å; L155-E267 HydrophobicContact CB-CB 4.05Å
156	T	98.3	Very high	97.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-43.7	175.1	-59.5	0	0	0	0	111.3	N154 K158 T159 L160 L263 L264 H265 E267 Y270	N154-T156 PolarHBondContact O-N 3.44Å; N154-T156 VanDerWaalsContact O-N 3.13Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 2.9Å; T156-T159 PolarHBondContact O-N 3.27Å; T156-L160 HydrophobicContact CG2-CD1 4.29Å; T156-L160 HydrophobicContact CG2-CG 4.49Å; T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 VanDerWaalsContact O-CG 3.25Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 2.87Å; T156-L263 HydrophobicContact CG2-CD1 3.51Å; T156-L264 VanDerWaalsContact CB-O 3.28Å; T156-L264 WeakPolarHBondContact CB-O 3.38Å; T156-L264 WeakPolarHBondContact CG2-O 3.47Å; T156-L264 PolarHBondContact OG1-O 2.85Å; T156-H265 PolarHBondContact OG1-O 3.29Å; T156-E267 WeakPolarHBondContact OG1-CA 3.49Å; T156-E267 PolarHBondContact OG1-N 3.19Å; T156-Y270 HydrophobicContact CG2-CD1 3.26Å; T156-Y270 HydrophobicContact CG2-CD2 4.29Å; T156-Y270 HydrophobicContact CG2-CE1 3.71Å; T156-Y270 HydrophobicContact CG2-CG 3.56Å
157	L	98.4	Very high	97.7	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-42.8	174.8	-61.3	179.7	0	0	0	110.9	H64 F66 F148 N154 T159 L160 M161 L263	H64-L157 PolarHBondContact CE1-O 3.22Å; F66-L157 HydrophobicContact CE2-CD1 3.96Å; F66-L157 HydrophobicContact CE2-CD2 4.15Å; F66-L157 HydrophobicContact CZ-CD1 4.08Å; F148-L157 HydrophobicContact CB-CD1 4.17Å; F148-L157 HydrophobicContact CD1-CB 4.17Å; F148-L157 HydrophobicContact CD2-CB 4.13Å; F148-L157 HydrophobicContact CD2-CD1 4.34Å; F148-L157 HydrophobicContact CE1-CB 4.21Å; F148-L157 HydrophobicContact CE2-CB 4.2Å; F148-L157 HydrophobicContact CG-CB 4.16Å; F148-L157 HydrophobicContact CG-CD1 4.19Å; F148-L157 HydrophobicContact CZ-CB 4.27Å; N154-L157 HydrophobicContact CB-CD1 4.26Å; N154-L157 WeakPolarHBondContact O-CB 3.43Å; N154-L157 PolarHBondContact O-N 2.84Å; L157-T159 PolarHBondContact O-N 3.16Å; L157-L160 PolarHBondContact O-N 2.87Å; L157-M161 WeakPolarHBondContact O-CB 3.19Å; L157-M161 PolarHBondContact O-N 3.39Å; L157-L263 HydrophobicContact CD2-CD1 4.42Å; L157-L263 HydrophobicContact CD2-CD2 4.04Å
158	K	98.6	Very high	97.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-41.2	177.2	-172.9	-179.9	-68.7	-173.2	0	113.2	T89 L120 F148 D150 N154 L155 T156 M161 G162	T89-K158 PolarHBondContact O-NZ 3.07Å; L120-K158 HydrophobicContact CB-CD 4.3Å; L120-K158 HydrophobicContact CB-CG 3.96Å; L120-K158 WeakPolarHBondContact O-CD 3.28Å; F148-K158 HydrophobicContact CE2-CB 4.16Å; F148-K158 VanDerWaalsContact CZ-CA 3.48Å; F148-K158 HydrophobicContact CZ-CB 3.73Å; F148-K158 HydrophobicContact CZ-CG 4.33Å; D150-K158 VanDerWaalsContact OD1-CE 3.26Å; D150-K158 WeakPolarHBondContact OD1-CE 3.1Å; D150-K158 IonicContact OD1-NZ 3.38Å; D150-K158 PolarHBondContact OD1-NZ 3.34Å; D150-K158 WeakPolarHBondContact OD2-CE 3.23Å; D150-K158 IonicContact OD2-NZ 3.66Å; D150-K158 PolarHBondContact OD2-NZ 3.03Å; N154-K158 PolarHBondContact O-N 3.02Å; N154-K158 VanDerWaalsContact O-N 3.1Å; L155-K158 HydrophobicContact CD2-CD 4.38Å; L155-K158 PolarHBondContact O-N 2.86Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 2.9Å; K158-M161 HydrophobicContact CG-CE 4.11Å; K158-M161 WeakPolarHBondContact O-CB 3.09Å; K158-M161 PolarHBondContact O-N 3.47Å; K158-G162 PolarHBondContact O-N 2.76Å; K158-G162 VanDerWaalsContact O-N 3.13Å
159	T	98.6	Very high	97.7	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-43.5	175.5	-67.2	0	0	0	0	111.1	L155 T156 L157 M161 G162 M163 Y244 E267 V271	L155-T159 PolarHBondContact O-N 3.49Å; L155-T159 PolarHBondContact O-OG1 3Å; T156-T159 PolarHBondContact O-N 3.27Å; L157-T159 PolarHBondContact O-N 3.16Å; T159-M161 VanDerWaalsContact C-N 3.26Å; T159-M161 PolarHBondContact O-N 3.42Å; T159-G162 PolarHBondContact O-N 3.11Å; T159-G162 VanDerWaalsContact O-N 3.08Å; T159-M163 HydrophobicContact CG2-CE 3.86Å; T159-M163 HydrophobicContact CG2-CG 4.29Å; T159-M163 VanDerWaalsContact O-CG 3.27Å; T159-M163 WeakPolarHBondContact O-CG 3.43Å; T159-M163 PolarHBondContact O-N 3.47Å; T159-Y244 VanDerWaalsContact CG2-OH 3.29Å; T159-Y244 WeakPolarHBondContact CG2-OH 3.34Å; T159-E267 VanDerWaalsContact CB-CG 3.48Å; T159-E267 HydrophobicContact CG2-CG 4.05Å; T159-E267 VanDerWaalsContact CG2-OE1 3.27Å; T159-E267 WeakPolarHBondContact CG2-OE1 3.29Å; T159-E267 VanDerWaalsContact OG1-CD 3.23Å; T159-E267 WeakPolarHBondContact OG1-CG 3.49Å; T159-E267 PolarHBondContact OG1-OE1 3.46Å; T159-V271 HydrophobicContact CG2-CG2 4.18Å
160	L	98.6	Very high	97.7	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-36.6	176.6	-68.5	-179.3	0	0	0	112.4	T156 L157 M163 R164 I254 Y255 S258 L263 Y270	T156-L160 HydrophobicContact CG2-CD1 4.29Å; T156-L160 HydrophobicContact CG2-CG 4.49Å; T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 VanDerWaalsContact O-CG 3.25Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 2.87Å; L157-L160 PolarHBondContact O-N 2.87Å; L160-M163 PolarHBondContact O-N 3.17Å; L160-R164 VanDerWaalsContact O-CB 3.26Å; L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 PolarHBondContact O-N 3.36Å; L160-I254 HydrophobicContact CD2-CG2 4.28Å; L160-Y255 HydrophobicContact CB-CD2 4.47Å; L160-S258 VanDerWaalsContact CD2-CB 3.45Å; L160-S258 WeakPolarHBondContact CD2-OG 3.42Å; L160-L263 HydrophobicContact CD1-CD1 4.42Å; L160-Y270 HydrophobicContact CD1-CE1 3.87Å; L160-Y270 HydrophobicContact CD2-CE1 4.11Å; L160-Y270 HydrophobicContact CG-CE1 4.3Å
161	M	98.6	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.7	-50.2	170.2	177.9	-163.2	66.9	0	0	110.9	F68 L120 V144 E146 F148 L157 K158 T159 M163 R164 W165	F68-M161 HydrophobicContact CE1-CG 3.78Å; L120-M161 HydrophobicContact CB-CE 3.49Å; L120-M161 VanDerWaalsContact CB-CE 3.49Å; L120-M161 HydrophobicContact CD1-CE 4.13Å; L120-M161 HydrophobicContact CD2-CE 3.75Å; L120-M161 HydrophobicContact CG-CE 3.97Å; V144-M161 HydrophobicContact CG1-CE 4.4Å; V144-M161 HydrophobicContact CG1-SD 4.18Å; E146-M161 HydrophobicContact CB-CG 3.65Å; E146-M161 HydrophobicContact CB-SD 3.23Å; E146-M161 WeakPolarHBondContact CB-SD 3.26Å; E146-M161 HydrophobicContact CG-CG 4.25Å; E146-M161 HydrophobicContact CG-SD 4.4Å; E146-M161 VanDerWaalsContact OE2-CB 3.26Å; E146-M161 WeakPolarHBondContact OE2-CB 3.42Å; E146-M161 WeakPolarHBondContact OE2-CG 3.46Å; F148-M161 HydrophobicContact CE1-CB 4.23Å; F148-M161 HydrophobicContact CE1-SD 4Å; F148-M161 HydrophobicContact CZ-SD 4.41Å; L157-M161 WeakPolarHBondContact O-CB 3.19Å; L157-M161 PolarHBondContact O-N 3.39Å; K158-M161 HydrophobicContact CG-CE 4.11Å; K158-M161 WeakPolarHBondContact O-CB 3.09Å; K158-M161 PolarHBondContact O-N 3.47Å; T159-M161 VanDerWaalsContact C-N 3.26Å; T159-M161 PolarHBondContact O-N 3.42Å; M161-M163 PolarHBondContact O-N 2.84Å; M161-R164 WeakPolarHBondContact O-CB 3.09Å; M161-R164 PolarHBondContact O-N 3.19Å; M161-W165 VanDerWaalsContact O-CB 3.32Å; M161-W165 WeakPolarHBondContact O-CB 3.35Å; M161-W165 PolarHBondContact O-N 2.7Å
162	G	98.6	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-44	176.9	0	0	0	0	0	113.2	K158 T159 W165 V166	K158-G162 PolarHBondContact O-N 2.76Å; K158-G162 VanDerWaalsContact O-N 3.13Å; T159-G162 PolarHBondContact O-N 3.11Å; T159-G162 VanDerWaalsContact O-N 3.08Å; G162-W165 PolarHBondContact O-N 2.83Å; G162-V166 WeakPolarHBondContact O-CG2 3.28Å; G162-V166 PolarHBondContact O-N 3.25Å
163	M	98.6	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-43.8	176.4	-62.3	-70.6	177.1	0	0	111.8	T159 L160 M161 A167 Y244 F246 A251 I254	T159-M163 HydrophobicContact CG2-CE 3.86Å; T159-M163 HydrophobicContact CG2-CG 4.29Å; T159-M163 VanDerWaalsContact O-CG 3.27Å; T159-M163 WeakPolarHBondContact O-CG 3.43Å; T159-M163 PolarHBondContact O-N 3.47Å; L160-M163 PolarHBondContact O-N 3.17Å; M161-M163 PolarHBondContact O-N 2.84Å; M163-A167 WeakPolarHBondContact O-CB 3.44Å; M163-A167 PolarHBondContact O-N 3.39Å; M163-Y244 HydrophobicContact CE-CE2 4Å; M163-F246 HydrophobicContact CE-CE1 3.65Å; M163-F246 HydrophobicContact CE-CE2 3.92Å; M163-F246 HydrophobicContact CE-CZ 3.24Å; M163-F246 HydrophobicContact SD-CE1 4.25Å; M163-F246 HydrophobicContact SD-CE2 3.45Å; M163-F246 WeakPolarHBondContact SD-CE2 3.19Å; M163-F246 HydrophobicContact SD-CZ 3.25Å; M163-F246 WeakPolarHBondContact SD-CZ 3.39Å; M163-A251 HydrophobicContact CB-CB 4.48Å; M163-A251 HydrophobicContact SD-CB 4.05Å; M163-I254 HydrophobicContact CE-CD1 4.29Å; M163-I254 HydrophobicContact CG-CG2 4.44Å; M163-I254 HydrophobicContact SD-CD1 4.49Å
164	R	98.3	Very high	98	Very high	56 Å²	56	31.2 Å²	31.2	21%	0.211	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-45.2	174.6	-180	-169.8	170.5	-174	-2.3	110.8	F66 E146 L160 M161 A167 T168 Y255	F66-R164 PolarHBondContact O-NH1 2.58Å; E146-R164 IonicContact OE1-CZ 3.91Å; E146-R164 IonicContact OE1-NH1 3.66Å; E146-R164 PolarHBondContact OE1-NH1 3.43Å; L160-R164 VanDerWaalsContact O-CB 3.26Å; L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 PolarHBondContact O-N 3.36Å; M161-R164 WeakPolarHBondContact O-CB 3.09Å; M161-R164 PolarHBondContact O-N 3.19Å; R164-A167 PolarHBondContact O-N 3.33Å; R164-T168 WeakPolarHBondContact O-CB 3.33Å; R164-T168 PolarHBondContact O-N 3.45Å; R164-T168 PolarHBondContact O-OG1 2.82Å; R164-Y255 HydrophobicContact CB-CD1 4.27Å; R164-Y255 HydrophobicContact CB-CD2 3.72Å; R164-Y255 HydrophobicContact CB-CE1 4.2Å; R164-Y255 HydrophobicContact CB-CE2 3.65Å; R164-Y255 HydrophobicContact CB-CG 4.04Å; R164-Y255 WeakPolarHBondContact CD-OH 3.3Å; R164-Y255 HydrophobicContact CG-CD1 4.36Å; R164-Y255 HydrophobicContact CG-CD2 4.4Å; R164-Y255 HydrophobicContact CG-CE1 3.88Å; R164-Y255 HydrophobicContact CG-CE2 3.93Å
165	W	98.6	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-48.8	-179	-173.8	91.2	0	0	0	110.8	F68 N71 E72 K75 V84 V118 V144 M161 G162 A167 T168 F169 C170	F68-W165 HydrophobicContact CE1-CB 4.38Å; F68-W165 HydrophobicContact CZ-CB 4.24Å; N71-W165 PolarHBondContact OD1-NE1 3.19Å; E72-W165 HydrophobicContact CB-CZ2 4.26Å; E72-W165 WeakPolarHBondContact O-CZ2 3.33Å; K75-W165 HydrophobicContact CB-CH2 4.34Å; K75-W165 HydrophobicContact CB-CZ2 4.45Å; V84-W165 HydrophobicContact CG1-CZ3 4.24Å; V118-W165 HydrophobicContact CG2-CH2 3.88Å; V118-W165 HydrophobicContact CG2-CZ3 3.95Å; V144-W165 HydrophobicContact CG1-CG 4.32Å; V144-W165 HydrophobicContact CG2-CD2 4.21Å; V144-W165 HydrophobicContact CG2-CG 4.21Å; V144-W165 HydrophobicContact CG2-CZ2 4.33Å; M161-W165 VanDerWaalsContact O-CB 3.32Å; M161-W165 WeakPolarHBondContact O-CB 3.35Å; M161-W165 PolarHBondContact O-N 2.7Å; G162-W165 PolarHBondContact O-N 2.83Å; W165-A167 PolarHBondContact O-N 3Å; W165-T168 PolarHBondContact O-N 2.98Å; W165-F169 HydrophobicContact CB-CD2 4.46Å; W165-F169 AromaticContact CD1-CD2 3.33Å; W165-F169 AromaticContact CD1-CE2 3.6Å; W165-F169 HydrophobicContact CD2-CD2 4.09Å; W165-F169 AromaticContact CE2-CD2 3.89Å; W165-F169 AromaticContact CG-CD2 3.75Å; W165-F169 HydrophobicContact CG-CD2 3.75Å; W165-F169 HydrophobicContact CG-CE2 4.31Å; W165-F169 HydrophobicContact CZ2-CB 4.41Å; W165-F169 AromaticContact NE1-CD2 3.39Å; W165-F169 AromaticContact NE1-CE2 3.87Å; W165-F169 WeakPolarHBondContact O-CD2 3.18Å; W165-F169 PolarHBondContact O-N 3.31Å; W165-C170 VanDerWaalsContact CH2-SG 3.59Å; W165-C170 WeakPolarHBondContact CZ3-SG 3.49Å
166	V	98.6	Very high	98.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-46.9	175.1	172.6	0	0	0	0	111.7	V84 L86 G162 T168 C170 V176 A251	V84-V166 HydrophobicContact CB-CG2 4.46Å; V84-V166 HydrophobicContact CG1-CG2 4.03Å; L86-V166 HydrophobicContact CD1-CG2 3.94Å; L86-V166 HydrophobicContact CD2-CG2 4.02Å; L86-V166 HydrophobicContact CG-CG2 4.32Å; G162-V166 WeakPolarHBondContact O-CG2 3.28Å; G162-V166 PolarHBondContact O-N 3.25Å; V166-T168 PolarHBondContact O-N 3.28Å; V166-C170 HydrophobicContact CG1-CB 4.27Å; V166-C170 CarbonylContact O-C 3.54Å; V166-C170 VanDerWaalsContact O-CA 3.27Å; V166-C170 WeakPolarHBondContact O-CA 3.43Å; V166-C170 PolarHBondContact O-N 2.93Å; V166-V176 HydrophobicContact CG1-CG2 3.77Å; V166-V176 HydrophobicContact CG2-CG1 4.34Å; V166-V176 HydrophobicContact CG2-CG2 4.3Å; V166-A251 HydrophobicContact CB-CB 4.25Å; V166-A251 HydrophobicContact CG1-CB 4.1Å
167	A	97.9	Very high	98.1	Very high	26 Å²	26	27.3 Å²	27.3	22%	0.215	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-30	179.9	0	0	0	0	0	112.9	M163 R164 W165 E252	M163-A167 WeakPolarHBondContact O-CB 3.44Å; M163-A167 PolarHBondContact O-N 3.39Å; R164-A167 PolarHBondContact O-N 3.33Å; W165-A167 PolarHBondContact O-N 3Å; A167-E252 HydrophobicContact CB-CB 3.75Å; A167-E252 HydrophobicContact CB-CG 4.1Å
168	T	97.4	Very high	98.2	Very high	78 Å²	78	26.5 Å²	26.5	48%	0.479	14%	0.138	S	C	.	.	H	α-helix	trans	-87.4	-49.3	-177.1	-52.9	0	0	0	0	111.7	R164 W165 V166	R164-T168 WeakPolarHBondContact O-CB 3.33Å; R164-T168 PolarHBondContact O-N 3.45Å; R164-T168 PolarHBondContact O-OG1 2.82Å; W165-T168 PolarHBondContact O-N 2.98Å; V166-T168 PolarHBondContact O-N 3.28Å
169	F	97.8	Very high	98.2	Very high	44 Å²	44	26.4 Å²	26.4	19%	0.193	14%	0.138	C	C	.	.	H	α-helix	trans	-103.9	-24.6	-168.2	-57.1	-68.4	0	0	0	113	F68 N71 P73 C76 W165 P171	F68-F169 HydrophobicContact CD2-CE2 4.38Å; F68-F169 AromaticContact CE2-CE2 3.89Å; F68-F169 HydrophobicContact CE2-CE2 3.89Å; F68-F169 HydrophobicContact CE2-CZ 4.4Å; F68-F169 HydrophobicContact CZ-CE2 4.32Å; N71-F169 WeakPolarHBondContact ND2-CZ 3.25Å; P73-F169 HydrophobicContact CB-CD1 3.72Å; P73-F169 HydrophobicContact CB-CE1 3.57Å; P73-F169 HydrophobicContact CB-CZ 4.35Å; C76-F169 WeakPolarHBondContact CB-O 3.5Å; W165-F169 HydrophobicContact CB-CD2 4.46Å; W165-F169 AromaticContact CD1-CD2 3.33Å; W165-F169 AromaticContact CD1-CE2 3.6Å; W165-F169 HydrophobicContact CD2-CD2 4.09Å; W165-F169 AromaticContact CE2-CD2 3.89Å; W165-F169 AromaticContact CG-CD2 3.75Å; W165-F169 HydrophobicContact CG-CD2 3.75Å; W165-F169 HydrophobicContact CG-CE2 4.31Å; W165-F169 HydrophobicContact CZ2-CB 4.41Å; W165-F169 AromaticContact NE1-CD2 3.39Å; W165-F169 AromaticContact NE1-CE2 3.87Å; W165-F169 WeakPolarHBondContact O-CD2 3.18Å; W165-F169 PolarHBondContact O-N 3.31Å; F169-P171 WeakPolarHBondContact O-CD 3.45Å
170	C	97.6	Very high	98.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	15%	0.145	C	C	.	.			trans	-123.8	46	-179.4	-55.6	0	0	0	0	113.7	C76 V84 W165 V166 K172 A173	C76-C170 HydrophobicContact CB-CB 3.77Å; C76-C170 WeakPolarHBondContact CB-SG 3.07Å; C76-C170 WeakPolarHBondContact SG-CB 3.47Å; C76-C170 CovalentContact SG-SG 2.03Å; C76-C170 PolarHBondContact SG-SG 2.77Å; V84-C170 HydrophobicContact CG2-CB 4.33Å; W165-C170 VanDerWaalsContact CH2-SG 3.59Å; W165-C170 WeakPolarHBondContact CZ3-SG 3.49Å; V166-C170 HydrophobicContact CG1-CB 4.27Å; V166-C170 CarbonylContact O-C 3.54Å; V166-C170 VanDerWaalsContact O-CA 3.27Å; V166-C170 WeakPolarHBondContact O-CA 3.43Å; V166-C170 PolarHBondContact O-N 2.93Å; C170-K172 PolarHBondContact O-N 2.84Å; C170-A173 HydrophobicContact CB-CB 4.38Å; C170-A173 WeakPolarHBondContact O-CB 3.44Å; C170-A173 PolarHBondContact O-N 3.47Å; C170-A173 VanDerWaalsContact O-N 3.07Å
171	P	95.9	Very high	98.1	Very high	91 Å²	91	27.9 Å²	27.9	59%	0.591	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.2	-170.8	28.2	-37	0	0	0	114.1	F169	F169-P171 WeakPolarHBondContact O-CD 3.45Å
172	K	96.2	Very high	98.1	Very high	163 Å²	163	30.2 Å²	30.2	71%	0.709	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.2	-179.9	-62.4	-178.6	-175.9	172.8	0	113.8	T80 C170	T80-K172 HydrophobicContact CG2-CB 3.64Å; T80-K172 WeakPolarHBondContact CG2-O 3.41Å; C170-K172 PolarHBondContact O-N 2.84Å
173	A	97.9	Very high	98.1	Very high	9 Å²	9	30.2 Å²	30.2	7%	0.074	16%	0.159	C	C	.	.			trans	-55	152	176.9	0	0	0	0	0	111	P81 V84 C170 A248	P81-A173 HydrophobicContact CG-CB 3.85Å; P81-A173 WeakPolarHBondContact O-CA 3.34Å; V84-A173 HydrophobicContact CG2-CB 3.94Å; C170-A173 HydrophobicContact CB-CB 4.38Å; C170-A173 WeakPolarHBondContact O-CB 3.44Å; C170-A173 PolarHBondContact O-N 3.47Å; C170-A173 VanDerWaalsContact O-N 3.07Å; A173-A248 HydrophobicContact CB-CB 3.87Å; A173-A248 WeakPolarHBondContact O-CB 3.42Å
174	Q	98.1	Very high	98.1	Very high	70 Å²	70	30.4 Å²	30.4	33%	0.327	16%	0.159	S	C	.	.	S	Bend	trans	-88.7	-46.9	178	-58.4	-173	10.2	0	0	111.9	P81 F82 P201 S247 A248	P81-Q174 PolarHBondContact O-N 3.38Å; F82-Q174 HydrophobicContact CD2-CB 4.31Å; F82-Q174 HydrophobicContact CD2-CG 4.39Å; F82-Q174 WeakPolarHBondContact O-CB 3.04Å; Q174-P201 HydrophobicContact CB-CB 4.36Å; Q174-P201 HydrophobicContact CB-CG 4.43Å; Q174-P201 HydrophobicContact CG-CG 4.15Å; Q174-S247 WeakPolarHBondContact O-CA 3.07Å; Q174-A248 PolarHBondContact O-N 3.36Å
175	Y	98.8	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157	-178.2	-64	-75.8	0	0	0	111.7	F82 L83 V84 L195 P201 R202 Y205 F246	F82-Y175 HydrophobicContact CE1-CD2 4.35Å; F82-Y175 AromaticContact CE2-CD2 3.98Å; F82-Y175 HydrophobicContact CE2-CD2 3.98Å; F82-Y175 AromaticContact CE2-CE2 3.98Å; F82-Y175 HydrophobicContact CE2-CE2 3.98Å; F82-Y175 AromaticContact CZ-CD2 3.86Å; F82-Y175 HydrophobicContact CZ-CD2 3.86Å; F82-Y175 AromaticContact CZ-CE2 3.95Å; F82-Y175 HydrophobicContact CZ-CE2 3.95Å; F82-Y175 PolarHBondContact O-N 2.91Å; L83-Y175 WeakPolarHBondContact CA-O 3.27Å; V84-Y175 PolarHBondContact N-O 3.01Å; Y175-L195 HydrophobicContact CD1-CD2 3.55Å; Y175-L195 HydrophobicContact CD2-CB 4.25Å; Y175-L195 HydrophobicContact CD2-CD1 4.1Å; Y175-L195 HydrophobicContact CD2-CD2 3.78Å; Y175-L195 HydrophobicContact CD2-CG 4.27Å; Y175-L195 HydrophobicContact CE1-CD2 3.78Å; Y175-L195 HydrophobicContact CE2-CB 4.2Å; Y175-L195 HydrophobicContact CE2-CD2 3.98Å; Y175-L195 HydrophobicContact CG-CD1 4.12Å; Y175-L195 HydrophobicContact CG-CD2 3.54Å; Y175-L195 HydrophobicContact CG-CG 4.35Å; Y175-P201 HydrophobicContact CE2-CB 4.46Å; Y175-R202 HydrophobicContact CE1-CB 4.44Å; Y175-R202 PolarHBondContact OH-N 3.11Å; Y175-Y205 HydrophobicContact CE1-CD1 4.27Å; Y175-F246 CarbonylContact C-O 3.54Å; Y175-F246 WeakPolarHBondContact CA-O 3.49Å
176	V	98.9	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.7	173.1	-174.4	0	0	0	0	108.2	V84 L86 V166 V245 F246 A248	V84-V176 CarbonylContact O-C 3.18Å; V84-V176 WeakPolarHBondContact O-CA 3.26Å; L86-V176 HydrophobicContact CD1-CG1 3.67Å; L86-V176 HydrophobicContact CG-CG1 3.9Å; V166-V176 HydrophobicContact CG1-CG2 3.77Å; V166-V176 HydrophobicContact CG2-CG1 4.34Å; V166-V176 HydrophobicContact CG2-CG2 4.3Å; V176-V245 CarbonylContact O-C 3.47Å; V176-V245 VanDerWaalsContact O-CA 3.32Å; V176-V245 WeakPolarHBondContact O-CA 3.22Å; V176-F246 HydrophobicContact CB-CD1 4.4Å; V176-F246 HydrophobicContact CB-CD2 4.05Å; V176-F246 HydrophobicContact CB-CE1 3.88Å; V176-F246 HydrophobicContact CB-CE2 3.52Å; V176-F246 HydrophobicContact CB-CG 4.48Å; V176-F246 HydrophobicContact CB-CZ 3.4Å; V176-F246 HydrophobicContact CG1-CE1 3.82Å; V176-F246 HydrophobicContact CG1-CE2 3.87Å; V176-F246 HydrophobicContact CG1-CZ 3.28Å; V176-F246 HydrophobicContact CG2-CE2 3.93Å; V176-F246 HydrophobicContact CG2-CZ 4.22Å; V176-F246 PolarHBondContact N-O 3.29Å; V176-F246 WeakPolarHBondContact O-CD1 3.31Å; V176-F246 PolarHBondContact O-N 2.98Å; V176-A248 HydrophobicContact CG2-CB 3.96Å
177	M	98.9	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.2	166.4	178.5	163.6	172.5	0	0	108.5	L83 V84 I85 L86 T179 V185 L190 Y244 V245 T305	L83-M177 HydrophobicContact CD1-CB 4.15Å; V84-M177 PolarHBondContact O-N 3.07Å; I85-M177 HydrophobicContact CG2-CB 4.29Å; I85-M177 HydrophobicContact CG2-CG 4.39Å; L86-M177 PolarHBondContact N-O 3.19Å; M177-T179 HydrophobicContact CE-CG2 4.11Å; M177-V185 HydrophobicContact CE-CB 4.41Å; M177-V185 HydrophobicContact CE-CG1 3.93Å; M177-V185 HydrophobicContact CE-CG2 3.51Å; M177-V185 HydrophobicContact SD-CG1 4.13Å; M177-V185 HydrophobicContact SD-CG2 4.48Å; M177-L190 HydrophobicContact SD-CD1 4.46Å; M177-L190 HydrophobicContact SD-CD2 3.47Å; M177-L190 WeakPolarHBondContact SD-CD2 3.25Å; M177-Y244 WeakPolarHBondContact CA-O 3.27Å; M177-V245 HydrophobicContact CB-CG2 3.94Å; M177-V245 HydrophobicContact CG-CG2 3.91Å; M177-V245 HydrophobicContact SD-CG2 4.11Å; M177-T305 HydrophobicContact CE-CG2 3.91Å
178	K	98.8	Very high	97.9	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.022	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.3	162.1	-177.6	-79.5	-166.9	-168	0	107.6	L86 D180 G241 G243 Y244 E267	L86-K178 WeakPolarHBondContact O-CA 3.1Å; K178-D180 IonicContact NZ-OD1 3.71Å; K178-D180 PolarHBondContact NZ-OD1 2.92Å; K178-D180 IonicContact NZ-OD2 3.85Å; K178-G241 PolarHBondContact NZ-O 2.76Å; K178-G243 VanDerWaalsContact O-CA 3.31Å; K178-G243 WeakPolarHBondContact O-CA 3.05Å; K178-Y244 HydrophobicContact CB-CD2 4.04Å; K178-Y244 HydrophobicContact CB-CE1 4.28Å; K178-Y244 HydrophobicContact CB-CE2 3.46Å; K178-Y244 VanDerWaalsContact CB-CE2 3.46Å; K178-Y244 HydrophobicContact CD-CE1 3.87Å; K178-Y244 HydrophobicContact CG-CE1 4.34Å; K178-Y244 HydrophobicContact CG-CE2 4.2Å; K178-Y244 PolarHBondContact N-O 3.49Å; K178-Y244 PolarHBondContact O-N 2.85Å; K178-E267 WeakPolarHBondContact CE-OE2 3.43Å; K178-E267 IonicContact NZ-OE2 3.8Å; K178-E267 PolarHBondContact NZ-OE2 3.25Å
179	T	98.8	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	176.3	174.7	-165	0	0	0	0	111.3	I85 L86 I87 S88 W104 M177 I183 T242	I85-T179 HydrophobicContact CG2-CG2 4.14Å; L86-T179 PolarHBondContact O-N 3.18Å; I87-T179 WeakPolarHBondContact CA-O 3.45Å; I87-T179 HydrophobicContact CG1-CG2 3.95Å; S88-T179 PolarHBondContact N-O 3.21Å; W104-T179 HydrophobicContact CH2-CG2 3.93Å; M177-T179 HydrophobicContact CE-CG2 4.11Å; T179-I183 WeakPolarHBondContact OG1-CB 3.32Å; T179-I183 WeakPolarHBondContact OG1-CG1 3.38Å; T179-I183 WeakPolarHBondContact OG1-CG2 3.5Å; T179-T242 PolarHBondContact OG1-O 2.86Å
180	D	98.5	Very high	97.9	Very high	33 Å²	33	24.2 Å²	24.2	18%	0.176	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	165.6	177.5	-56.8	-27.6	0	0	0	110.9	K178 D182 I183	K178-D180 IonicContact NZ-OD1 3.71Å; K178-D180 PolarHBondContact NZ-OD1 2.92Å; K178-D180 IonicContact NZ-OD2 3.85Å; D180-D182 VanDerWaalsContact C-N 3.26Å; D180-D182 PolarHBondContact O-N 3.43Å; D180-I183 HydrophobicContact CB-CG1 4.01Å; D180-I183 WeakPolarHBondContact O-CG1 3.25Å; D180-I183 PolarHBondContact O-N 2.85Å
181	S	98.3	Very high	97.9	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.2	-179.1	28	0	0	0	0	114.7	S88 E93 I183	S88-S181 PolarHBondContact O-N 2.93Å; E93-S181 VanDerWaalsContact CD-OG 3.31Å; E93-S181 PolarHBondContact OE1-OG 3.47Å; S181-I183 VanDerWaalsContact C-N 3.32Å
182	D	98.1	Very high	97.9	Very high	49 Å²	49	25.1 Å²	25.1	26%	0.262	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	22.1	-176.9	72.8	-21.7	0	0	0	112.8	D180 H307 Q308 I309	D180-D182 VanDerWaalsContact C-N 3.26Å; D180-D182 PolarHBondContact O-N 3.43Å; D182-H307 CarbonylContact O-C 3.48Å; D182-H307 IonicContact OD1-CD2 3.81Å; D182-H307 IonicContact OD1-NE2 2.6Å; D182-H307 IonicContact OD2-CD2 3.38Å; D182-H307 PolarHBondContact OD2-CD2 3.4Å; D182-H307 VanDerWaalsContact OD2-CD2 3.3Å; D182-H307 IonicContact OD2-NE2 2.64Å; D182-H307 PolarHBondContact OD2-NE2 3.23Å; D182-Q308 WeakPolarHBondContact O-CA 3.42Å; D182-Q308 PolarHBondContact O-N 3.43Å; D182-I309 PolarHBondContact O-N 3.13Å
183	I	98.4	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.8	-179.3	-51.2	-61.8	0	0	0	109.7	W104 T179 D180 S181 V185 T242 T305 V306 H307	W104-I183 WeakPolarHBondContact CZ2-O 3.48Å; W104-I183 PolarHBondContact NE1-O 3.1Å; T179-I183 WeakPolarHBondContact OG1-CB 3.32Å; T179-I183 WeakPolarHBondContact OG1-CG1 3.38Å; T179-I183 WeakPolarHBondContact OG1-CG2 3.5Å; D180-I183 HydrophobicContact CB-CG1 4.01Å; D180-I183 WeakPolarHBondContact O-CG1 3.25Å; D180-I183 PolarHBondContact O-N 2.85Å; S181-I183 VanDerWaalsContact C-N 3.32Å; I183-V185 HydrophobicContact CG2-CG2 4.15Å; I183-T242 HydrophobicContact CD1-CG2 4.45Å; I183-T242 WeakPolarHBondContact CD1-O 3.29Å; I183-T242 VanDerWaalsContact CG1-O 3.29Å; I183-T242 WeakPolarHBondContact CG1-O 3.27Å; I183-T305 HydrophobicContact CG2-CG2 4.18Å; I183-V306 WeakPolarHBondContact CA-O 3.45Å; I183-H307 HydrophobicContact CD1-CB 3.74Å; I183-H307 VanDerWaalsContact CD1-CD2 3.4Å; I183-H307 WeakPolarHBondContact CD1-CD2 3.4Å
184	F	98.3	Very high	97.9	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130	163	178.7	-92.5	0	0	0	109.8	W104 N186 Y300 T305 V306 I309 M314 I317 W318 M321	W104-F184 AromaticContact CD1-CD2 3.85Å; F184-N186 HydrophobicContact CE1-CB 4.32Å; F184-Y300 AromaticContact CD1-CD1 3.99Å; F184-Y300 HydrophobicContact CD1-CD1 3.99Å; F184-Y300 HydrophobicContact CD1-CE1 4.33Å; F184-Y300 HydrophobicContact CE1-CD1 4.23Å; F184-T305 CarbonylContact O-C 3.56Å; F184-T305 VanDerWaalsContact O-CA 3.31Å; F184-T305 WeakPolarHBondContact O-CA 3.37Å; F184-V306 PolarHBondContact N-O 3.48Å; F184-V306 PolarHBondContact O-N 3.01Å; F184-I309 HydrophobicContact CB-CB 4.17Å; F184-I309 HydrophobicContact CB-CG1 3.73Å; F184-I309 HydrophobicContact CB-CG2 4.2Å; F184-M314 HydrophobicContact CD2-CG 4.12Å; F184-I317 HydrophobicContact CD1-CG2 4.15Å; F184-I317 HydrophobicContact CD2-CB 4.35Å; F184-I317 HydrophobicContact CD2-CG2 3.87Å; F184-I317 HydrophobicContact CE1-CG2 3.83Å; F184-I317 HydrophobicContact CE2-CB 4.17Å; F184-I317 HydrophobicContact CE2-CG2 3.53Å; F184-I317 HydrophobicContact CG-CG2 4.18Å; F184-I317 HydrophobicContact CZ-CG2 3.51Å; F184-W318 HydrophobicContact CE2-CB 4.32Å; F184-W318 HydrophobicContact CE2-CE3 4.12Å; F184-W318 HydrophobicContact CZ-CE3 4.17Å; F184-M321 HydrophobicContact CE1-CE 4.33Å; F184-M321 HydrophobicContact CE1-SD 3.61Å; F184-M321 HydrophobicContact CZ-CE 4.48Å; F184-M321 HydrophobicContact CZ-SD 3.59Å; F184-M321 VanDerWaalsContact CZ-SD 3.59Å
185	V	98.5	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.5	177.6	-171.1	0	0	0	0	110.3	W104 M177 I183 M187 L190 I304	W104-V185 VanDerWaalsContact CB-O 3.28Å; W104-V185 WeakPolarHBondContact CB-O 3.22Å; W104-V185 HydrophobicContact CD2-CB 3.82Å; W104-V185 HydrophobicContact CD2-CG2 3.94Å; W104-V185 HydrophobicContact CE3-CB 3.73Å; W104-V185 HydrophobicContact CE3-CG2 3.76Å; W104-V185 HydrophobicContact CG-CB 4.22Å; W104-V185 HydrophobicContact CH2-CG2 3.91Å; W104-V185 HydrophobicContact CZ2-CG2 4.05Å; W104-V185 HydrophobicContact CZ3-CB 4.25Å; W104-V185 HydrophobicContact CZ3-CG2 3.77Å; M177-V185 HydrophobicContact CE-CB 4.41Å; M177-V185 HydrophobicContact CE-CG1 3.93Å; M177-V185 HydrophobicContact CE-CG2 3.51Å; M177-V185 HydrophobicContact SD-CG1 4.13Å; M177-V185 HydrophobicContact SD-CG2 4.48Å; I183-V185 HydrophobicContact CG2-CG2 4.15Å; V185-M187 HydrophobicContact CB-SD 4.19Å; V185-M187 HydrophobicContact CG1-CG 4.46Å; V185-M187 HydrophobicContact CG1-SD 3.62Å; V185-M187 PolarHBondContact O-N 3.15Å; V185-M187 VanDerWaalsContact O-N 3.09Å; V185-L190 HydrophobicContact CG1-CD2 3.92Å; V185-I304 CarbonylContact C-O 3.51Å; V185-I304 WeakPolarHBondContact CA-O 3.23Å
186	N	97.8	Very high	97.7	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.043	12%	0.119	C	C	.	.			trans	-78.6	91.3	167.7	-177.4	-22.7	0	0	0	109.2	F184 D188 N189 L190 Y300 V303 I304 M321	F184-N186 HydrophobicContact CE1-CB 4.32Å; N186-D188 VanDerWaalsContact C-N 3.31Å; N186-D188 PolarHBondContact O-N 2.6Å; N186-D188 PolarHBondContact OD1-N 3.4Å; N186-N189 HydrophobicContact CB-CB 4.28Å; N186-N189 PolarHBondContact ND2-ND2 2.91Å; N186-N189 VanDerWaalsContact ND2-ND2 3.12Å; N186-N189 PolarHBondContact O-N 2.87Å; N186-N189 PolarHBondContact OD1-N 2.87Å; N186-N189 VanDerWaalsContact OD1-N 3.16Å; N186-L190 PolarHBondContact O-N 2.82Å; N186-Y300 PolarHBondContact ND2-O 3.08Å; N186-V303 WeakPolarHBondContact CB-O 3.31Å; N186-V303 PolarHBondContact ND2-O 3Å; N186-I304 PolarHBondContact N-O 3.42Å; N186-M321 HydrophobicContact CB-CE 4.46Å; N186-M321 WeakPolarHBondContact ND2-CE 3.48Å
187	M	97.5	Very high	97.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-33.9	-175.8	-69.3	-57.4	-71.9	0	0	113.6	L83 I85 W104 Y110 I115 V185 N189 L190 I191	L83-M187 HydrophobicContact CD2-CE 4.04Å; I85-M187 HydrophobicContact CD1-CE 3.66Å; I85-M187 HydrophobicContact CD1-SD 4.06Å; W104-M187 HydrophobicContact CB-CG 4.02Å; W104-M187 HydrophobicContact CE3-SD 4.45Å; W104-M187 WeakPolarHBondContact O-CG 3.38Å; Y110-M187 HydrophobicContact CE2-CB 3.59Å; Y110-M187 HydrophobicContact CE2-CG 4.31Å; Y110-M187 WeakPolarHBondContact OH-CB 3.46Å; I115-M187 HydrophobicContact CD1-CE 3.98Å; I115-M187 HydrophobicContact CG2-CE 4.42Å; V185-M187 HydrophobicContact CB-SD 4.19Å; V185-M187 HydrophobicContact CG1-CG 4.46Å; V185-M187 HydrophobicContact CG1-SD 3.62Å; V185-M187 PolarHBondContact O-N 3.15Å; V185-M187 VanDerWaalsContact O-N 3.09Å; M187-N189 VanDerWaalsContact C-N 3.33Å; M187-N189 PolarHBondContact O-N 3.46Å; M187-L190 HydrophobicContact CE-CD2 4.25Å; M187-L190 PolarHBondContact O-N 2.99Å; M187-L190 HydrophobicContact SD-CD2 3.81Å; M187-I191 HydrophobicContact CE-CD1 3.93Å; M187-I191 HydrophobicContact CE-CG1 4.37Å; M187-I191 WeakPolarHBondContact O-CB 3.39Å; M187-I191 WeakPolarHBondContact O-CG1 3.31Å; M187-I191 PolarHBondContact O-N 3.16Å
188	D	95.4	Very high	97.3	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-62.6	-42.2	176.1	-71.1	-18.7	0	0	0	111.2	Y110 N186 Y192 K325	Y110-D188 WeakPolarHBondContact CE1-OD1 3.44Å; Y110-D188 PolarHBondContact OH-N 3.38Å; Y110-D188 PolarHBondContact OH-OD1 2.74Å; N186-D188 VanDerWaalsContact C-N 3.31Å; N186-D188 PolarHBondContact O-N 2.6Å; N186-D188 PolarHBondContact OD1-N 3.4Å; D188-Y192 HydrophobicContact CB-CD2 4.49Å; D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 3.43Å; D188-K325 IonicContact OD2-NZ 3.54Å
189	N	97	Very high	97	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	19%	0.191	C	C	.	.	I	π-helix	trans	-70.8	-41	176.2	-76.7	-9.5	0	0	0	111.9	N186 M187 K193 L194 R301 V303 I304	N186-N189 HydrophobicContact CB-CB 4.28Å; N186-N189 PolarHBondContact ND2-ND2 2.91Å; N186-N189 VanDerWaalsContact ND2-ND2 3.12Å; N186-N189 PolarHBondContact O-N 2.87Å; N186-N189 PolarHBondContact OD1-N 2.87Å; N186-N189 VanDerWaalsContact OD1-N 3.16Å; M187-N189 VanDerWaalsContact C-N 3.33Å; M187-N189 PolarHBondContact O-N 3.46Å; N189-K193 HydrophobicContact CB-CD 4.44Å; N189-K193 WeakPolarHBondContact O-CB 3.35Å; N189-K193 PolarHBondContact O-N 3.45Å; N189-K193 VanDerWaalsContact OD1-CD 3.24Å; N189-K193 WeakPolarHBondContact OD1-CD 3.4Å; N189-K193 WeakPolarHBondContact OD1-CE 3.43Å; N189-K193 PolarHBondContact OD1-NZ 3Å; N189-L194 PolarHBondContact O-N 3.35Å; N189-R301 PolarHBondContact ND2-O 2.86Å; N189-V303 PolarHBondContact ND2-O 3.3Å; N189-I304 HydrophobicContact CB-CG1 3.99Å
190	L	98.3	Very high	96.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-59.3	-53.7	176.8	175.3	56	0	0	0	111	L83 M177 V185 N186 M187 L194 L195 V245 I304	L83-L190 HydrophobicContact CD2-CD2 3.73Å; L83-L190 HydrophobicContact CD2-CG 4.33Å; M177-L190 HydrophobicContact SD-CD1 4.46Å; M177-L190 HydrophobicContact SD-CD2 3.47Å; M177-L190 WeakPolarHBondContact SD-CD2 3.25Å; V185-L190 HydrophobicContact CG1-CD2 3.92Å; N186-L190 PolarHBondContact O-N 2.82Å; M187-L190 HydrophobicContact CE-CD2 4.25Å; M187-L190 PolarHBondContact O-N 2.99Å; M187-L190 HydrophobicContact SD-CD2 3.81Å; L190-L194 HydrophobicContact CD1-CD2 4.08Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L195 HydrophobicContact CD1-CD1 4.1Å; L190-L195 HydrophobicContact CD1-CG 4.23Å; L190-L195 HydrophobicContact CG-CD1 4.27Å; L190-L195 WeakPolarHBondContact O-CG 3.35Å; L190-L195 PolarHBondContact O-N 3.26Å; L190-V245 HydrophobicContact CD1-CG2 3.69Å; L190-I304 HydrophobicContact CB-CG2 4.07Å; L190-I304 HydrophobicContact CD1-CG2 4.33Å
191	I	97.1	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-74	-60.2	-173.4	-66.3	170.5	0	0	0	110.1	F82 Y110 I113 I115 M187 L195 K196 P197	F82-I191 HydrophobicContact CE1-CG2 4.36Å; Y110-I191 HydrophobicContact CD1-CD1 4.22Å; Y110-I191 HydrophobicContact CD2-CD1 3.9Å; Y110-I191 HydrophobicContact CE1-CD1 4.19Å; Y110-I191 HydrophobicContact CE2-CD1 3.86Å; Y110-I191 HydrophobicContact CG-CD1 4.07Å; I113-I191 HydrophobicContact CD1-CG2 3.34Å; I115-I191 HydrophobicContact CD1-CD1 3.56Å; I115-I191 HydrophobicContact CG1-CD1 4.48Å; M187-I191 HydrophobicContact CE-CD1 3.93Å; M187-I191 HydrophobicContact CE-CG1 4.37Å; M187-I191 WeakPolarHBondContact O-CB 3.39Å; M187-I191 WeakPolarHBondContact O-CG1 3.31Å; M187-I191 PolarHBondContact O-N 3.16Å; I191-L195 CarbonylContact O-C 3.56Å; I191-L195 PolarHBondContact O-N 3.3Å; I191-K196 PolarHBondContact O-N 3.24Å; I191-P197 HydrophobicContact CG2-CG 3.72Å; I191-P197 WeakPolarHBondContact O-CD 3.36Å
192	Y	95.9	Very high	96.6	Very high	112 Å²	112	50.2 Å²	50.2	44%	0.439	25%	0.251	S	S	.	.	I	π-helix	trans	-86.6	-28.4	-165.3	-59.2	-66.5	0	0	0	113.8	Y110 I113 D188 K196	Y110-Y192 HydrophobicContact CD1-CE2 4.14Å; Y110-Y192 AromaticContact CE1-CE2 3.78Å; Y110-Y192 HydrophobicContact CE1-CE2 3.78Å; I113-Y192 HydrophobicContact CD1-CE1 3.68Å; D188-Y192 HydrophobicContact CB-CD2 4.49Å; D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 3.43Å; Y192-K196 WeakPolarHBondContact O-CG 3.29Å
193	K	96	Very high	96.6	Very high	134 Å²	134	57 Å²	57	58%	0.583	27%	0.273	S	S	*	.	I	π-helix	trans	-91.4	-41.9	177.8	-59.5	-174.4	-176.9	161.6	0	112.4	N189 K196	N189-K193 HydrophobicContact CB-CD 4.44Å; N189-K193 WeakPolarHBondContact O-CB 3.35Å; N189-K193 PolarHBondContact O-N 3.45Å; N189-K193 VanDerWaalsContact OD1-CD 3.24Å; N189-K193 WeakPolarHBondContact OD1-CD 3.4Å; N189-K193 WeakPolarHBondContact OD1-CE 3.43Å; N189-K193 PolarHBondContact OD1-NZ 3Å; K193-K196 WeakPolarHBondContact O-CE 3.33Å
194	L	97.8	Very high	96.5	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	29%	0.293	C	S	.	.	I	π-helix	trans	-90.8	-53.3	-176.6	178.8	62.5	0	0	0	113.3	N189 L190 R202 T207 N285 F288 I304	N189-L194 PolarHBondContact O-N 3.35Å; L190-L194 HydrophobicContact CD1-CD2 4.08Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L194-R202 PolarHBondContact O-NH2 2.73Å; L194-T207 HydrophobicContact CD1-CG2 4.37Å; L194-T207 HydrophobicContact CD2-CG2 3.97Å; L194-N285 WeakPolarHBondContact CD1-ND2 3.46Å; L194-F288 HydrophobicContact CD2-CE2 3.7Å; L194-F288 HydrophobicContact CD2-CZ 3.88Å; L194-I304 HydrophobicContact CB-CD1 4.03Å; L194-I304 HydrophobicContact CD2-CD1 3.76Å; L194-I304 HydrophobicContact CG-CD1 4.44Å
195	L	97.5	Very high	96.6	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.295	C	S	.	.	I	π-helix	trans	-86.8	-31.4	-170.2	-66.4	-177.9	0	0	0	114.2	F82 L83 Y175 L190 I191 V245	F82-L195 HydrophobicContact CE1-CB 3.82Å; F82-L195 HydrophobicContact CE1-CD1 3.83Å; F82-L195 HydrophobicContact CE1-CG 4.5Å; F82-L195 HydrophobicContact CZ-CB 3.65Å; F82-L195 HydrophobicContact CZ-CD1 4.37Å; L83-L195 HydrophobicContact CD1-CD1 4.06Å; L83-L195 HydrophobicContact CD2-CD1 4.29Å; Y175-L195 HydrophobicContact CD1-CD2 3.55Å; Y175-L195 HydrophobicContact CD2-CB 4.25Å; Y175-L195 HydrophobicContact CD2-CD1 4.1Å; Y175-L195 HydrophobicContact CD2-CD2 3.78Å; Y175-L195 HydrophobicContact CD2-CG 4.27Å; Y175-L195 HydrophobicContact CE1-CD2 3.78Å; Y175-L195 HydrophobicContact CE2-CB 4.2Å; Y175-L195 HydrophobicContact CE2-CD2 3.98Å; Y175-L195 HydrophobicContact CG-CD1 4.12Å; Y175-L195 HydrophobicContact CG-CD2 3.54Å; Y175-L195 HydrophobicContact CG-CG 4.35Å; L190-L195 HydrophobicContact CD1-CD1 4.1Å; L190-L195 HydrophobicContact CD1-CG 4.23Å; L190-L195 HydrophobicContact CG-CD1 4.27Å; L190-L195 WeakPolarHBondContact O-CG 3.35Å; L190-L195 PolarHBondContact O-N 3.26Å; I191-L195 CarbonylContact O-C 3.56Å; I191-L195 PolarHBondContact O-N 3.3Å; L195-V245 HydrophobicContact CD2-CG1 3.67Å
196	K	96.5	Very high	96.6	Very high	105 Å²	105	62.9 Å²	62.9	46%	0.457	30%	0.295	S	S	.	.			trans	50.6	76.5	173.3	-60.3	179.8	-178.8	-176.3	0	112.9	I191 Y192 K193 S198 T199	I191-K196 PolarHBondContact O-N 3.24Å; Y192-K196 WeakPolarHBondContact O-CG 3.29Å; K193-K196 WeakPolarHBondContact O-CE 3.33Å; K196-S198 PolarHBondContact O-N 3.15Å; K196-T199 HydrophobicContact CB-CG2 3.93Å; K196-T199 WeakPolarHBondContact CB-OG1 3.43Å; K196-T199 HydrophobicContact CD-CG2 4.48Å; K196-T199 PolarHBondContact O-N 3.01Å; K196-T199 PolarHBondContact O-OG1 3.25Å
197	P	94.8	Very high	96.6	Very high	43 Å²	43	62.5 Å²	62.5	28%	0.279	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28	-176.1	-21.4	26.7	0	0	0	115.3	F82 I113 I191 T199	F82-P197 HydrophobicContact CD2-CB 4.33Å; F82-P197 HydrophobicContact CE1-CG 3.89Å; F82-P197 HydrophobicContact CE2-CB 3.81Å; F82-P197 HydrophobicContact CE2-CG 4.04Å; F82-P197 HydrophobicContact CZ-CB 3.9Å; F82-P197 HydrophobicContact CZ-CG 3.6Å; I113-P197 HydrophobicContact CD1-CB 4.29Å; I113-P197 HydrophobicContact CD1-CG 3.52Å; I113-P197 HydrophobicContact CG1-CG 4.32Å; I191-P197 HydrophobicContact CG2-CG 3.72Å; I191-P197 WeakPolarHBondContact O-CD 3.36Å; P197-T199 PolarHBondContact O-N 3.31Å
198	S	93.3	Very high	96.7	Very high	120 Å²	120	62.4 Å²	62.4	84%	0.839	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.6	177.1	55.7	0	0	0	0	114.4	K196	K196-S198 PolarHBondContact O-N 3.15Å
199	T	94.3	Very high	96.8	Very high	69 Å²	69	62.9 Å²	62.9	42%	0.423	29%	0.291	S	S	.	.	S	Bend	trans	-110.9	157.5	-179.4	68.1	0	0	0	0	111.4	K196 P197 P201	K196-T199 HydrophobicContact CB-CG2 3.93Å; K196-T199 WeakPolarHBondContact CB-OG1 3.43Å; K196-T199 HydrophobicContact CD-CG2 4.48Å; K196-T199 PolarHBondContact O-N 3.01Å; K196-T199 PolarHBondContact O-OG1 3.25Å; P197-T199 PolarHBondContact O-N 3.31Å; T199-P201 WeakPolarHBondContact O-CD 3.26Å
200	K	94.2	Very high	96.9	Very high	192 Å²	192	63.3 Å²	63.3	84%	0.835	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-58.1	127.5	176.9	-174.6	175	-179.4	175.8	0	110	R202	K200-R202 PolarHBondContact O-N 3.11Å
201	P	94.1	Very high	96.9	Very high	50 Å²	50	65.6 Å²	65.6	33%	0.325	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-58.4	135.5	179.7	-27	36.9	0	0	0	111.5	Q174 Y175 T199	Q174-P201 HydrophobicContact CB-CB 4.36Å; Q174-P201 HydrophobicContact CB-CG 4.43Å; Q174-P201 HydrophobicContact CG-CG 4.15Å; Y175-P201 HydrophobicContact CE2-CB 4.46Å; T199-P201 WeakPolarHBondContact O-CD 3.26Å
202	R	97.3	Very high	96.9	Very high	84 Å²	84	71.8 Å²	71.8	32%	0.317	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-71.1	150.7	174.7	-66.7	174.3	-75	-166.8	-4.8	109.4	Y175 L194 K200 Y205 S247	Y175-R202 HydrophobicContact CE1-CB 4.44Å; Y175-R202 PolarHBondContact OH-N 3.11Å; L194-R202 PolarHBondContact O-NH2 2.73Å; K200-R202 PolarHBondContact O-N 3.11Å; R202-Y205 HydrophobicContact CB-CD1 4.47Å; R202-Y205 HydrophobicContact CB-CD2 4.45Å; R202-Y205 HydrophobicContact CB-CG 3.96Å; R202-Y205 VanDerWaalsContact CZ-CE1 3.42Å; R202-Y205 PolarHBondContact NH1-OH 3.3Å; R202-Y205 PolarHBondContact NH2-OH 2.62Å; R202-S247 WeakPolarHBondContact O-CB 3.39Å
203	R	97.7	Very high	96.9	Very high	192 Å²	192	67.7 Å²	67.7	73%	0.725	33%	0.33	S	S	*	.	S	Bend	trans	-120.8	153.3	175.1	-67.3	-163.2	65.9	-178.5	4.3	110.1	Y205 D249	R203-Y205 PolarHBondContact O-N 3.2Å; R203-Y205 VanDerWaalsContact O-N 3.12Å; R203-D249 IonicContact CZ-OD2 2.75Å; R203-D249 IonicContact NE-OD2 3.35Å; R203-D249 PolarHBondContact NE-OD2 3.37Å; R203-D249 VanDerWaalsContact NE-OD2 3.15Å; R203-D249 IonicContact NH2-OD2 2.79Å; R203-D249 PolarHBondContact NH2-OD2 3.48Å
204	R	98.2	Very high	96.9	Very high	109 Å²	109	62.9 Å²	62.9	41%	0.411	32%	0.319	S	S	.	.	S	Bend	trans	48.9	38	-176.3	-60.9	178.7	59.3	84.4	-0.4	111.9	S247 D249 L253 L278 I280	R204-S247 PolarHBondContact N-OG 3.11Å; R204-D249 PolarHBondContact N-OD1 3.46Å; R204-D249 PolarHBondContact N-OD2 3.13Å; R204-L253 HydrophobicContact CG-CD1 4.45Å; R204-L278 PolarHBondContact NH2-O 3.02Å; R204-I280 HydrophobicContact CB-CD1 4.2Å; R204-I280 HydrophobicContact CB-CG1 4.25Å; R204-I280 WeakPolarHBondContact O-CG2 3.24Å
205	Y	98.7	Very high	97	Very high	15 Å²	15	62.8 Å²	62.8	6%	0.059	32%	0.319	C	S	.	.			trans	-105.8	137.4	-173.7	173.9	-103.5	0	0	0	109.9	Y175 R202 R203 T207 F246 S247 Y283	Y175-Y205 HydrophobicContact CE1-CD1 4.27Å; R202-Y205 HydrophobicContact CB-CD1 4.47Å; R202-Y205 HydrophobicContact CB-CD2 4.45Å; R202-Y205 HydrophobicContact CB-CG 3.96Å; R202-Y205 VanDerWaalsContact CZ-CE1 3.42Å; R202-Y205 PolarHBondContact NH1-OH 3.3Å; R202-Y205 PolarHBondContact NH2-OH 2.62Å; R203-Y205 PolarHBondContact O-N 3.2Å; R203-Y205 VanDerWaalsContact O-N 3.12Å; Y205-T207 HydrophobicContact CE1-CG2 3.63Å; Y205-T207 WeakPolarHBondContact OH-CB 3.48Å; Y205-T207 WeakPolarHBondContact OH-CG2 3.48Å; Y205-F246 CarbonylContact O-C 3.55Å; Y205-F246 WeakPolarHBondContact O-CA 3.33Å; Y205-F246 WeakPolarHBondContact O-CB 3.28Å; Y205-S247 PolarHBondContact N-OG 2.8Å; Y205-S247 PolarHBondContact O-N 2.97Å; Y205-Y283 AromaticContact CD2-CD2 3.79Å; Y205-Y283 HydrophobicContact CD2-CD2 3.79Å; Y205-Y283 AromaticContact CD2-CE2 3.93Å; Y205-Y283 HydrophobicContact CD2-CE2 3.93Å; Y205-Y283 AromaticContact CE2-CD2 3.66Å; Y205-Y283 HydrophobicContact CE2-CD2 3.66Å; Y205-Y283 HydrophobicContact CE2-CE2 4.2Å; Y205-Y283 HydrophobicContact CE2-CG 4.29Å
206	F	98.8	Very high	97	Very high	1 Å²	1	66 Å²	66	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	130.4	178.1	-160.2	-74.8	0	0	0	109.2	C239 Y244 V245 F246 V250 I254 V271 L275 I280 P282 Y283	F206-C239 HydrophobicContact CE1-CB 3.89Å; F206-Y244 AromaticContact CE1-CD2 3.86Å; F206-Y244 HydrophobicContact CE1-CD2 3.86Å; F206-Y244 AromaticContact CE1-CG 3.87Å; F206-Y244 HydrophobicContact CE1-CG 3.87Å; F206-Y244 AromaticContact CE2-CD2 3.91Å; F206-Y244 HydrophobicContact CE2-CD2 3.91Å; F206-Y244 HydrophobicContact CE2-CE2 4.05Å; F206-Y244 HydrophobicContact CZ-CD1 4.31Å; F206-Y244 AromaticContact CZ-CD2 3.23Å; F206-Y244 HydrophobicContact CZ-CD2 3.23Å; F206-Y244 AromaticContact CZ-CE2 3.57Å; F206-Y244 HydrophobicContact CZ-CE2 3.57Å; F206-Y244 AromaticContact CZ-CG 3.64Å; F206-Y244 HydrophobicContact CZ-CG 3.64Å; F206-V245 CarbonylContact C-O 3.58Å; F206-V245 WeakPolarHBondContact CA-O 3.43Å; F206-F246 HydrophobicContact CB-CB 4.33Å; F206-F246 HydrophobicContact CD2-CB 3.45Å; F206-F246 VanDerWaalsContact CD2-CB 3.45Å; F206-F246 HydrophobicContact CD2-CD1 4.28Å; F206-F246 AromaticContact CD2-CG 3.99Å; F206-F246 HydrophobicContact CD2-CG 3.99Å; F206-F246 HydrophobicContact CE2-CB 3.97Å; F206-F246 AromaticContact CE2-CD1 3.9Å; F206-F246 HydrophobicContact CE2-CD1 3.9Å; F206-F246 HydrophobicContact CE2-CG 4.01Å; F206-F246 HydrophobicContact CG-CB 4.06Å; F206-V250 HydrophobicContact CD2-CG1 4.12Å; F206-I254 HydrophobicContact CD2-CD1 4.36Å; F206-I254 HydrophobicContact CE2-CD1 3.93Å; F206-V271 HydrophobicContact CE2-CG1 3.88Å; F206-V271 HydrophobicContact CZ-CG1 3.68Å; F206-L275 HydrophobicContact CB-CD1 4.39Å; F206-L275 HydrophobicContact CB-CD2 4.33Å; F206-L275 HydrophobicContact CD1-CD1 3.75Å; F206-L275 HydrophobicContact CD2-CD1 3.86Å; F206-L275 HydrophobicContact CD2-CD2 3.71Å; F206-L275 HydrophobicContact CD2-CG 4.36Å; F206-L275 HydrophobicContact CE1-CD1 3.9Å; F206-L275 HydrophobicContact CE2-CD1 4.02Å; F206-L275 HydrophobicContact CE2-CD2 4.24Å; F206-L275 HydrophobicContact CG-CD1 3.73Å; F206-L275 HydrophobicContact CG-CD2 4.08Å; F206-L275 HydrophobicContact CZ-CD1 4.03Å; F206-I280 HydrophobicContact CB-CG2 4.18Å; F206-P282 HydrophobicContact CD1-CB 3.98Å; F206-P282 WeakPolarHBondContact O-CA 3.48Å; F206-Y283 WeakPolarHBondContact O-CD2 3.44Å; F206-Y283 PolarHBondContact O-N 3.04Å
207	T	98.8	Very high	97	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.3	-178.7	-166.7	0	0	0	0	111.9	L194 Y205 Y244 V245 Y283 N285 F288	L194-T207 HydrophobicContact CD1-CG2 4.37Å; L194-T207 HydrophobicContact CD2-CG2 3.97Å; Y205-T207 HydrophobicContact CE1-CG2 3.63Å; Y205-T207 WeakPolarHBondContact OH-CB 3.48Å; Y205-T207 WeakPolarHBondContact OH-CG2 3.48Å; T207-Y244 CarbonylContact O-C 3.51Å; T207-Y244 WeakPolarHBondContact O-CA 3.35Å; T207-Y244 WeakPolarHBondContact O-CB 3.46Å; T207-V245 HydrophobicContact CG2-CB 4.07Å; T207-V245 PolarHBondContact N-O 3.34Å; T207-V245 PolarHBondContact O-N 3.45Å; T207-Y283 WeakPolarHBondContact CA-O 3.42Å; T207-Y283 WeakPolarHBondContact CB-O 3.44Å; T207-Y283 PolarHBondContact OG1-O 3.02Å; T207-N285 WeakPolarHBondContact OG1-CB 3.3Å; T207-F288 HydrophobicContact CG2-CE2 4.25Å; T207-F288 HydrophobicContact CG2-CZ 4.47Å
208	G	98.6	Very high	97.2	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-160	177	0	0	0	0	0	108.7	V210 C239 Y283 N285	G208-V210 PolarHBondContact O-N 2.83Å; G208-C239 PolarHBondContact N-SG 3.36Å; G208-Y283 PolarHBondContact N-O 3.15Å; G208-N285 PolarHBondContact O-N 3.02Å
209	Y	98.5	Very high	97.3	Very high	65 Å²	65	66.2 Å²	66.2	26%	0.255	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.3	168.4	-168.3	-86.5	0	0	0	109.8	I211 C239 S240 F288 H290 W291	Y209-I211 HydrophobicContact CD1-CG1 3.95Å; Y209-I211 HydrophobicContact CE1-CG1 4.17Å; Y209-C239 CarbonylContact O-C 3.53Å; Y209-C239 VanDerWaalsContact O-CA 3.25Å; Y209-C239 WeakPolarHBondContact O-CA 3.4Å; Y209-S240 PolarHBondContact O-N 2.84Å; Y209-F288 WeakPolarHBondContact CB-O 3.46Å; Y209-F288 VanDerWaalsContact CD2-O 3.22Å; Y209-F288 WeakPolarHBondContact CD2-O 3.48Å; Y209-H290 AromaticContact CD1-CE1 3.46Å; Y209-H290 VanDerWaalsContact CD1-CE1 3.46Å; Y209-H290 WeakPolarHBondContact CD1-CE1 3.44Å; Y209-H290 AromaticContact CD1-ND1 3.22Å; Y209-H290 WeakPolarHBondContact CD1-ND1 3.21Å; Y209-H290 AromaticContact CD2-ND1 3.83Å; Y209-H290 AromaticContact CE1-CE1 3.12Å; Y209-H290 WeakPolarHBondContact CE1-CE1 3.3Å; Y209-H290 AromaticContact CE1-ND1 3.42Å; Y209-H290 WeakPolarHBondContact CE1-ND1 3.27Å; Y209-H290 AromaticContact CE2-ND1 3.97Å; Y209-H290 AromaticContact CG-ND1 3.44Å; Y209-H290 AromaticContact CZ-CE1 3.42Å; Y209-H290 VanDerWaalsContact CZ-CE1 3.42Å; Y209-H290 AromaticContact CZ-ND1 3.78Å; Y209-W291 HydrophobicContact CE2-CH2 4.43Å; Y209-W291 HydrophobicContact CE2-CZ3 4.05Å
210	V	98.6	Very high	97.5	Very high	18 Å²	18	73.3 Å²	73.3	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.7	179.9	-179.5	0	0	0	0	111	G208 P237 F238 P282 Q284	G208-V210 PolarHBondContact O-N 2.83Å; V210-P237 HydrophobicContact CG1-CB 3.95Å; V210-F238 CarbonylContact C-O 3.54Å; V210-F238 WeakPolarHBondContact CA-O 3.46Å; V210-P282 HydrophobicContact CG1-CG 4.41Å; V210-P282 HydrophobicContact CG2-CB 3.94Å; V210-P282 HydrophobicContact CG2-CG 4.18Å; V210-Q284 HydrophobicContact CB-CB 4.3Å; V210-Q284 VanDerWaalsContact CB-OE1 3.27Å; V210-Q284 HydrophobicContact CG2-CB 4.24Å; V210-Q284 PolarHBondContact O-OE1 3.12Å
211	I	98.1	Very high	97.6	Very high	48 Å²	48	65.6 Å²	65.6	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.6	175.1	-60.4	176.1	0	0	0	108.6	Y209 F238	Y209-I211 HydrophobicContact CD1-CG1 3.95Å; Y209-I211 HydrophobicContact CE1-CG1 4.17Å; I211-F238 HydrophobicContact CB-CD2 4.42Å; I211-F238 HydrophobicContact CB-CE1 4.04Å; I211-F238 HydrophobicContact CB-CE2 3.96Å; I211-F238 HydrophobicContact CB-CZ 3.75Å; I211-F238 HydrophobicContact CD1-CE2 3.99Å; I211-F238 HydrophobicContact CD1-CZ 4.31Å; I211-F238 HydrophobicContact CG1-CE2 4.47Å; I211-F238 HydrophobicContact CG2-CE1 3.9Å; I211-F238 HydrophobicContact CG2-CE2 4.26Å; I211-F238 HydrophobicContact CG2-CZ 3.6Å; I211-F238 PolarHBondContact N-O 2.81Å; I211-F238 PolarHBondContact O-N 2.91Å
212	N	97.1	Very high	97.7	Very high	130 Å²	130	69.7 Å²	69.7	70%	0.695	33%	0.325	S	S	*	.			trans	-109.1	86.8	171	-67.6	-75.6	0	0	0	108
213	G	95.4	Very high	97.7	Very high	26 Å²	26	71.5 Å²	71.5	27%	0.268	33%	0.332	S	S	.	.			trans	-129.5	-174.3	-172	0	0	0	0	0	113.6	Y235	G213-Y235 PolarHBondContact O-N 3.07Å
214	G	97.7	Very high	97.7	Very high	33 Å²	33	65.4 Å²	65.4	34%	0.34	31%	0.309	S	S	.	.			trans	-140.9	169.7	175.5	0	0	0	0	0	111.6	I216 Y235	G214-I216 PolarHBondContact O-N 3.26Å; G214-Y235 VanDerWaalsContact C-CE2 3.44Å
215	P	98	Very high	97.6	Very high	16 Å²	16	60.2 Å²	60.2	10%	0.104	29%	0.29	C	S	.	.			trans	-61.6	129.9	-179.3	22.6	-33	0	0	0	112.8	R217 M225 Y230 E232 Y235	P215-R217 VanDerWaalsContact CB-CZ 3.46Å; P215-M225 HydrophobicContact CB-CB 3.62Å; P215-M225 HydrophobicContact CB-CG 3.86Å; P215-Y230 HydrophobicContact CG-CD1 4.12Å; P215-E232 VanDerWaalsContact CG-O 3.32Å; P215-E232 WeakPolarHBondContact CG-O 3.49Å; P215-Y235 VanDerWaalsContact CA-CZ 3.4Å; P215-Y235 VanDerWaalsContact CA-OH 3.28Å; P215-Y235 WeakPolarHBondContact CA-OH 3.45Å; P215-Y235 HydrophobicContact CB-CE1 3.91Å; P215-Y235 HydrophobicContact CB-CE2 4.29Å; P215-Y235 WeakPolarHBondContact CB-OH 3.32Å; P215-Y235 HydrophobicContact CG-CE1 4.22Å
216	I	98.1	Very high	97.6	Very high	68 Å²	68	61.2 Å²	61.2	35%	0.349	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-77.4	128	168.9	-64.2	174.9	0	0	0	108.3	G214 D218 W223 Y224 M225	G214-I216 PolarHBondContact O-N 3.26Å; I216-D218 HydrophobicContact CG2-CB 4.31Å; I216-W223 HydrophobicContact CD1-CB 4.08Å; I216-W223 HydrophobicContact CD1-CE3 3.8Å; I216-Y224 WeakPolarHBondContact O-CA 3.32Å; I216-M225 PolarHBondContact O-N 3.44Å
217	R	97.6	Very high	97.5	Very high	59 Å²	59	67.7 Å²	67.7	22%	0.223	32%	0.322	C	S	.	.			trans	-104.2	-1	-175.7	-52.9	-55.8	-170.7	170.7	6.2	113.9	P215 M219 Y224 M225 P226 Y230 E232	P215-R217 VanDerWaalsContact CB-CZ 3.46Å; R217-M219 PolarHBondContact O-N 2.92Å; R217-Y224 WeakPolarHBondContact O-CE2 3.35Å; R217-M225 VanDerWaalsContact CD-O 3.23Å; R217-M225 WeakPolarHBondContact CD-O 3.37Å; R217-M225 PolarHBondContact NH1-O 3.32Å; R217-P226 PolarHBondContact NH1-O 3.02Å; R217-P226 VanDerWaalsContact NH1-O 3.11Å; R217-Y230 VanDerWaalsContact CZ-O 3.31Å; R217-Y230 PolarHBondContact NH1-O 3.2Å; R217-Y230 PolarHBondContact NH2-O 3.04Å; R217-E232 PolarHBondContact NH2-O 3.12Å
218	D	97.8	Very high	97.4	Very high	68 Å²	68	74.4 Å²	74.4	36%	0.364	36%	0.358	S	S	.	.			trans	-75.4	116.2	170.8	-174.1	-14.9	0	0	0	109.4	I216 R220 S221 Y224	I216-D218 HydrophobicContact CG2-CB 4.31Å; D218-R220 PolarHBondContact O-N 3.08Å; D218-R220 VanDerWaalsContact O-N 3.15Å; D218-R220 WeakPolarHBondContact OD1-CB 3.34Å; D218-R220 PolarHBondContact OD1-N 3.1Å; D218-R220 IonicContact OD1-NE 2.72Å; D218-R220 PolarHBondContact OD1-NE 3.08Å; D218-R220 VanDerWaalsContact OD1-NE 3.17Å; D218-R220 IonicContact OD1-NH2 3.97Å; D218-R220 IonicContact OD2-CZ 2.8Å; D218-R220 IonicContact OD2-NE 3.05Å; D218-R220 PolarHBondContact OD2-NE 3.16Å; D218-R220 IonicContact OD2-NH2 3.17Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; D218-S221 VanDerWaalsContact O-CB 3.31Å; D218-S221 WeakPolarHBondContact O-CB 3.46Å; D218-S221 PolarHBondContact O-N 3.16Å; D218-Y224 WeakPolarHBondContact O-CB 3.48Å; D218-Y224 WeakPolarHBondContact O-CD2 3.46Å
219	M	96.6	Very high	97.2	Very high	147 Å²	147	76.4 Å²	76.4	72%	0.724	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.2	179.8	-68.8	179.1	66.1	0	0	114	R217 S221 Y224	R217-M219 PolarHBondContact O-N 2.92Å; M219-S221 VanDerWaalsContact C-N 3.33Å; M219-Y224 HydrophobicContact CG-CD1 4.35Å; M219-Y224 HydrophobicContact CG-CD2 4.2Å; M219-Y224 HydrophobicContact CG-CE1 3.9Å; M219-Y224 HydrophobicContact CG-CE2 3.76Å; M219-Y224 HydrophobicContact CG-CG 4.49Å
220	R	97.2	Very high	97.1	Very high	217 Å²	217	74 Å²	74	82%	0.819	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.1	176.8	-59.2	172.6	-63.6	175.2	6	112.6	D218	D218-R220 PolarHBondContact O-N 3.08Å; D218-R220 VanDerWaalsContact O-N 3.15Å; D218-R220 WeakPolarHBondContact OD1-CB 3.34Å; D218-R220 PolarHBondContact OD1-N 3.1Å; D218-R220 IonicContact OD1-NE 2.72Å; D218-R220 PolarHBondContact OD1-NE 3.08Å; D218-R220 VanDerWaalsContact OD1-NE 3.17Å; D218-R220 IonicContact OD1-NH2 3.97Å; D218-R220 IonicContact OD2-CZ 2.8Å; D218-R220 IonicContact OD2-NE 3.05Å; D218-R220 PolarHBondContact OD2-NE 3.16Å; D218-R220 IonicContact OD2-NH2 3.17Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å
221	S	97.3	Very high	97.1	Very high	30 Å²	30	77.5 Å²	77.5	21%	0.21	38%	0.383	C	S	.	.	S	Bend	trans	-73.9	135.1	177.1	-175.4	0	0	0	0	110.3	D218 M219 W223 Y224	D218-S221 VanDerWaalsContact O-CB 3.31Å; D218-S221 WeakPolarHBondContact O-CB 3.46Å; D218-S221 PolarHBondContact O-N 3.16Å; M219-S221 VanDerWaalsContact C-N 3.33Å; S221-W223 PolarHBondContact O-N 2.65Å; S221-W223 PolarHBondContact OG-N 2.82Å; S221-Y224 VanDerWaalsContact O-CB 3.25Å; S221-Y224 WeakPolarHBondContact O-CB 3.37Å; S221-Y224 PolarHBondContact O-N 3.35Å
222	K	95.3	Very high	97	Very high	137 Å²	137	79.9 Å²	79.9	60%	0.596	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.2	168.9	68.9	175.9	-175.1	175.9	0	113.6
223	W	96.7	Very high	97	Very high	122 Å²	122	79.1 Å²	79.1	46%	0.462	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	19.4	178.5	-55.4	-45	0	0	0	112.9	Y152 I216 S221 M225 L266	Y152-W223 PolarHBondContact OH-NE1 3.19Å; I216-W223 HydrophobicContact CD1-CB 4.08Å; I216-W223 HydrophobicContact CD1-CE3 3.8Å; S221-W223 PolarHBondContact O-N 2.65Å; S221-W223 PolarHBondContact OG-N 2.82Å; W223-M225 PolarHBondContact O-N 2.98Å; W223-L266 HydrophobicContact CB-CD2 4.49Å
224	Y	97.8	Very high	97.1	Very high	64 Å²	64	85.6 Å²	85.6	25%	0.251	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-57	129.1	177.9	171.2	-119.2	0	0	0	111.8	I216 R217 D218 M219 S221 P226 H265	I216-Y224 WeakPolarHBondContact O-CA 3.32Å; R217-Y224 WeakPolarHBondContact O-CE2 3.35Å; D218-Y224 WeakPolarHBondContact O-CB 3.48Å; D218-Y224 WeakPolarHBondContact O-CD2 3.46Å; M219-Y224 HydrophobicContact CG-CD1 4.35Å; M219-Y224 HydrophobicContact CG-CD2 4.2Å; M219-Y224 HydrophobicContact CG-CE1 3.9Å; M219-Y224 HydrophobicContact CG-CE2 3.76Å; M219-Y224 HydrophobicContact CG-CG 4.49Å; S221-Y224 VanDerWaalsContact O-CB 3.25Å; S221-Y224 WeakPolarHBondContact O-CB 3.37Å; S221-Y224 PolarHBondContact O-N 3.35Å; Y224-P226 HydrophobicContact CD1-CG 4.33Å; Y224-P226 HydrophobicContact CE1-CB 4.32Å; Y224-P226 HydrophobicContact CE1-CG 3.63Å; Y224-H265 PolarHBondContact O-CE1 2.63Å; Y224-H265 PolarHBondContact O-NE2 3.13Å
225	M	97.9	Very high	97.2	Very high	0 Å²	0	85 Å²	85	0%	0	40%	0.397	C	S	.	.			trans	-121.1	115	174.3	-176.9	62.6	63.9	0	0	109.9	P215 I216 R217 W223 L229 Y230 Y235 L264 L266	P215-M225 HydrophobicContact CB-CB 3.62Å; P215-M225 HydrophobicContact CB-CG 3.86Å; I216-M225 PolarHBondContact O-N 3.44Å; R217-M225 VanDerWaalsContact CD-O 3.23Å; R217-M225 WeakPolarHBondContact CD-O 3.37Å; R217-M225 PolarHBondContact NH1-O 3.32Å; W223-M225 PolarHBondContact O-N 2.98Å; M225-L229 HydrophobicContact SD-CB 4.32Å; M225-L229 HydrophobicContact SD-CD2 3.73Å; M225-L229 HydrophobicContact SD-CG 4.02Å; M225-Y230 HydrophobicContact CG-CG 4.5Å; M225-Y235 WeakPolarHBondContact CB-OH 3.32Å; M225-Y235 WeakPolarHBondContact CE-OH 3.22Å; M225-Y235 HydrophobicContact CG-CE1 4.45Å; M225-Y235 VanDerWaalsContact CG-OH 3.31Å; M225-Y235 WeakPolarHBondContact CG-OH 3.41Å; M225-L264 HydrophobicContact CE-CB 4.24Å; M225-L264 HydrophobicContact CE-CD1 4.02Å; M225-L264 HydrophobicContact CE-CD2 4.21Å; M225-L264 HydrophobicContact CE-CG 4.4Å; M225-L264 HydrophobicContact SD-CD2 4Å; M225-L266 HydrophobicContact CE-CB 4.42Å; M225-L266 HydrophobicContact CE-CD1 3.82Å; M225-L266 HydrophobicContact CE-CG 4.01Å
226	P	96.9	Very high	97.2	Very high	36 Å²	36	84.6 Å²	84.6	23%	0.234	39%	0.394	C	S	.	.			trans	-62.6	146.8	176.4	-19.4	28.5	0	0	0	113	R217 Y224 D228 L229 Y230	R217-P226 PolarHBondContact NH1-O 3.02Å; R217-P226 VanDerWaalsContact NH1-O 3.11Å; Y224-P226 HydrophobicContact CD1-CG 4.33Å; Y224-P226 HydrophobicContact CE1-CB 4.32Å; Y224-P226 HydrophobicContact CE1-CG 3.63Å; P226-D228 VanDerWaalsContact C-N 3.33Å; P226-D228 PolarHBondContact O-N 2.76Å; P226-L229 HydrophobicContact CB-CB 4.11Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 PolarHBondContact O-N 3.22Å; P226-Y230 PolarHBondContact O-N 2.64Å
227	R	97.3	Very high	97.2	Very high	136 Å²	136	84 Å²	84	51%	0.513	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36	175.7	-72.5	-170.6	-177	-78.9	1.8	112.6	L229 Y230 P231 N233	R227-L229 PolarHBondContact O-N 2.91Å; R227-Y230 CarbonylContact O-C 3.56Å; R227-Y230 PolarHBondContact O-N 3.49Å; R227-P231 VanDerWaalsContact O-CA 3.22Å; R227-P231 WeakPolarHBondContact O-CA 3.37Å; R227-P231 VanDerWaalsContact O-N 3.14Å; R227-N233 PolarHBondContact NH1-OD1 3.48Å; R227-N233 VanDerWaalsContact NH1-OD1 3.15Å
228	D	96.4	Very high	97.2	Very high	143 Å²	143	81.8 Å²	81.8	77%	0.765	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.5	178.8	-58.3	-22.7	0	0	0	112.8	P226 R262	P226-D228 VanDerWaalsContact C-N 3.33Å; P226-D228 PolarHBondContact O-N 2.76Å; D228-R262 PolarHBondContact O-NH1 2.79Å; D228-R262 PolarHBondContact O-NH2 3.22Å; D228-R262 VanDerWaalsContact O-NH2 3.12Å
229	L	95.2	Very high	97.2	Very high	42 Å²	42	78.7 Å²	78.7	22%	0.22	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-47.1	175.4	-174.3	57.3	0	0	0	111.2	M225 P226 R227 R262 L264	M225-L229 HydrophobicContact SD-CB 4.32Å; M225-L229 HydrophobicContact SD-CD2 3.73Å; M225-L229 HydrophobicContact SD-CG 4.02Å; P226-L229 HydrophobicContact CB-CB 4.11Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 PolarHBondContact O-N 3.22Å; R227-L229 PolarHBondContact O-N 2.91Å; L229-R262 HydrophobicContact CD1-CG 4.46Å; L229-L264 HydrophobicContact CD1-CD2 3.9Å; L229-L264 HydrophobicContact CD2-CD2 3.82Å; L229-L264 HydrophobicContact CG-CD2 3.53Å
230	Y	97.1	Very high	97.3	Very high	14 Å²	14	72.1 Å²	72.1	6%	0.055	34%	0.339	C	S	.	.			trans	-135.6	101.1	177.2	-166.8	-88.3	0	0	0	110.1	P215 R217 M225 P226 R227 E232 K234 Y235 L264 M273	P215-Y230 HydrophobicContact CG-CD1 4.12Å; R217-Y230 VanDerWaalsContact CZ-O 3.31Å; R217-Y230 PolarHBondContact NH1-O 3.2Å; R217-Y230 PolarHBondContact NH2-O 3.04Å; M225-Y230 HydrophobicContact CG-CG 4.5Å; P226-Y230 PolarHBondContact O-N 2.64Å; R227-Y230 CarbonylContact O-C 3.56Å; R227-Y230 PolarHBondContact O-N 3.49Å; Y230-E232 HydrophobicContact CD1-CB 4.19Å; Y230-E232 WeakPolarHBondContact CD1-O 3.41Å; Y230-E232 HydrophobicContact CE1-CB 3.53Å; Y230-E232 HydrophobicContact CE1-CG 4.5Å; Y230-K234 WeakPolarHBondContact CE1-O 3.35Å; Y230-K234 PolarHBondContact OH-O 3Å; Y230-Y235 HydrophobicContact CD1-CD1 4.02Å; Y230-Y235 AromaticContact CD1-CE1 3.71Å; Y230-Y235 HydrophobicContact CD1-CE1 3.71Å; Y230-Y235 HydrophobicContact CD2-CE1 4.32Å; Y230-Y235 AromaticContact CE1-CD1 3.52Å; Y230-Y235 HydrophobicContact CE1-CD1 3.52Å; Y230-Y235 AromaticContact CE1-CE1 3.72Å; Y230-Y235 HydrophobicContact CE1-CE1 3.72Å; Y230-Y235 HydrophobicContact CE2-CD1 4.1Å; Y230-Y235 HydrophobicContact CE2-CE1 4.36Å; Y230-Y235 HydrophobicContact CG-CD1 4.49Å; Y230-Y235 HydrophobicContact CG-CE1 4.01Å; Y230-Y235 AromaticContact CZ-CD1 3.6Å; Y230-L264 HydrophobicContact CD2-CD1 4.11Å; Y230-M273 HydrophobicContact CD2-SD 4.21Å; Y230-M273 HydrophobicContact CE2-SD 3.81Å
231	P	96.8	Very high	97.2	Very high	92 Å²	92	62.2 Å²	62.2	60%	0.597	31%	0.305	S	S	*	.			trans	-78.6	-26.2	-171.7	28.3	-34.3	0	0	0	113.6	R227	R227-P231 VanDerWaalsContact O-CA 3.22Å; R227-P231 WeakPolarHBondContact O-CA 3.37Å; R227-P231 VanDerWaalsContact O-N 3.14Å
232	E	96.9	Very high	97.1	Very high	98 Å²	98	61.3 Å²	61.3	46%	0.458	30%	0.298	S	S	.	.	S	Bend	trans	-66.4	156.2	-179.3	-61.5	176.4	-137.6	0	0	111.8	P215 R217 Y230 R276	P215-E232 VanDerWaalsContact CG-O 3.32Å; P215-E232 WeakPolarHBondContact CG-O 3.49Å; R217-E232 PolarHBondContact NH2-O 3.12Å; Y230-E232 HydrophobicContact CD1-CB 4.19Å; Y230-E232 WeakPolarHBondContact CD1-O 3.41Å; Y230-E232 HydrophobicContact CE1-CB 3.53Å; Y230-E232 HydrophobicContact CE1-CG 4.5Å; E232-R276 IonicContact OE2-NH1 3.15Å
233	N	97.5	Very high	97.2	Very high	114 Å²	114	54.8 Å²	54.8	61%	0.61	27%	0.269	S	S	*	.	S	Bend	trans	-94	-3.3	179.5	-65.9	-40.9	0	0	0	113.6	R227	R227-N233 PolarHBondContact NH1-OD1 3.48Å; R227-N233 VanDerWaalsContact NH1-OD1 3.15Å
234	K	98	Very high	97.3	Very high	162 Å²	162	49 Å²	49	70%	0.704	25%	0.248	S	C	*	.	S	Bend	trans	-134.1	141.8	177.8	-69.3	-171.9	177	-176.6	0	110.1	Y230	Y230-K234 WeakPolarHBondContact CE1-O 3.35Å; Y230-K234 PolarHBondContact OH-O 3Å
235	Y	98.3	Very high	97.4	Very high	21 Å²	21	46 Å²	46	8%	0.082	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-83.5	156.6	167.9	-63.5	-44.8	0	0	0	110.2	G213 G214 P215 M225 Y230 F238 V269	G213-Y235 PolarHBondContact O-N 3.07Å; G214-Y235 VanDerWaalsContact C-CE2 3.44Å; P215-Y235 VanDerWaalsContact CA-CZ 3.4Å; P215-Y235 VanDerWaalsContact CA-OH 3.28Å; P215-Y235 WeakPolarHBondContact CA-OH 3.45Å; P215-Y235 HydrophobicContact CB-CE1 3.91Å; P215-Y235 HydrophobicContact CB-CE2 4.29Å; P215-Y235 WeakPolarHBondContact CB-OH 3.32Å; P215-Y235 HydrophobicContact CG-CE1 4.22Å; M225-Y235 WeakPolarHBondContact CB-OH 3.32Å; M225-Y235 WeakPolarHBondContact CE-OH 3.22Å; M225-Y235 HydrophobicContact CG-CE1 4.45Å; M225-Y235 VanDerWaalsContact CG-OH 3.31Å; M225-Y235 WeakPolarHBondContact CG-OH 3.41Å; Y230-Y235 HydrophobicContact CD1-CD1 4.02Å; Y230-Y235 AromaticContact CD1-CE1 3.71Å; Y230-Y235 HydrophobicContact CD1-CE1 3.71Å; Y230-Y235 HydrophobicContact CD2-CE1 4.32Å; Y230-Y235 AromaticContact CE1-CD1 3.52Å; Y230-Y235 HydrophobicContact CE1-CD1 3.52Å; Y230-Y235 AromaticContact CE1-CE1 3.72Å; Y230-Y235 HydrophobicContact CE1-CE1 3.72Å; Y230-Y235 HydrophobicContact CE2-CD1 4.1Å; Y230-Y235 HydrophobicContact CE2-CE1 4.36Å; Y230-Y235 HydrophobicContact CG-CD1 4.49Å; Y230-Y235 HydrophobicContact CG-CE1 4.01Å; Y230-Y235 AromaticContact CZ-CD1 3.6Å; Y235-F238 AromaticContact CD2-CE1 3.99Å; Y235-F238 HydrophobicContact CD2-CE1 3.99Å; Y235-V269 HydrophobicContact CD1-CG1 3.51Å; Y235-V269 HydrophobicContact CD2-CG1 3.97Å; Y235-V269 HydrophobicContact CD2-CG2 3.83Å; Y235-V269 HydrophobicContact CE1-CG1 3.65Å; Y235-V269 HydrophobicContact CE2-CG1 4.07Å; Y235-V269 HydrophobicContact CE2-CG2 3.75Å; Y235-V269 HydrophobicContact CG-CG1 3.68Å; Y235-V269 HydrophobicContact CG-CG2 4.36Å
236	P	97.9	Very high	97.4	Very high	6 Å²	6	46 Å²	46	4%	0.039	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-57.7	155.6	159	27.7	-34.7	0	0	0	110.6	F238 M273 R276	P236-F238 WeakPolarHBondContact O-CD1 3.35Å; P236-F238 PolarHBondContact O-N 3.49Å; P236-M273 HydrophobicContact CG-CB 4.49Å; P236-M273 HydrophobicContact CG-CG 3.98Å; P236-R276 HydrophobicContact CB-CB 3.9Å; P236-R276 HydrophobicContact CB-CG 4.4Å; P236-R276 HydrophobicContact CG-CB 4.5Å
237	P	98.3	Very high	97.5	Very high	55 Å²	55	44.3 Å²	44.3	36%	0.357	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-54.2	132.1	170.3	-23.5	33.4	0	0	0	110.8	V210 P282	V210-P237 HydrophobicContact CG1-CB 3.95Å; P237-P282 HydrophobicContact CB-CG 4.14Å
238	F	98.5	Very high	97.6	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.1	-179.1	65	-83.3	0	0	0	110	V210 I211 Y235 P236 D268 V269	V210-F238 CarbonylContact C-O 3.54Å; V210-F238 WeakPolarHBondContact CA-O 3.46Å; I211-F238 HydrophobicContact CB-CD2 4.42Å; I211-F238 HydrophobicContact CB-CE1 4.04Å; I211-F238 HydrophobicContact CB-CE2 3.96Å; I211-F238 HydrophobicContact CB-CZ 3.75Å; I211-F238 HydrophobicContact CD1-CE2 3.99Å; I211-F238 HydrophobicContact CD1-CZ 4.31Å; I211-F238 HydrophobicContact CG1-CE2 4.47Å; I211-F238 HydrophobicContact CG2-CE1 3.9Å; I211-F238 HydrophobicContact CG2-CE2 4.26Å; I211-F238 HydrophobicContact CG2-CZ 3.6Å; I211-F238 PolarHBondContact N-O 2.81Å; I211-F238 PolarHBondContact O-N 2.91Å; Y235-F238 AromaticContact CD2-CE1 3.99Å; Y235-F238 HydrophobicContact CD2-CE1 3.99Å; P236-F238 WeakPolarHBondContact O-CD1 3.35Å; P236-F238 PolarHBondContact O-N 3.49Å; F238-D268 WeakPolarHBondContact CB-O 3.21Å; F238-D268 HydrophobicContact CD2-CB 3.94Å; F238-D268 HydrophobicContact CE2-CB 4.37Å; F238-V269 HydrophobicContact CD1-CG2 4.37Å; F238-V269 HydrophobicContact CD2-CG2 4.27Å; F238-V269 HydrophobicContact CE1-CG2 4.1Å; F238-V269 HydrophobicContact CE2-CG2 3.97Å; F238-V269 HydrophobicContact CG-CG2 4.46Å; F238-V269 HydrophobicContact CZ-CG2 3.88Å
239	C	98.6	Very high	97.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.5	172	-66.3	0	0	0	0	110.2	F206 G208 Y209 Y244 D268	F206-C239 HydrophobicContact CE1-CB 3.89Å; G208-C239 PolarHBondContact N-SG 3.36Å; Y209-C239 CarbonylContact O-C 3.53Å; Y209-C239 VanDerWaalsContact O-CA 3.25Å; Y209-C239 WeakPolarHBondContact O-CA 3.4Å; C239-Y244 HydrophobicContact CB-CD1 4.32Å; C239-Y244 HydrophobicContact CB-CG 4.36Å; C239-D268 WeakPolarHBondContact O-CB 3.47Å
240	S	97.9	Very high	97.8	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	137.7	174.7	-174.3	0	0	0	0	112	Y209 T242 G243 H290	Y209-S240 PolarHBondContact O-N 2.84Å; S240-T242 PolarHBondContact O-N 2.71Å; S240-T242 VanDerWaalsContact O-N 3.08Å; S240-T242 PolarHBondContact OG-OG1 3.41Å; S240-G243 PolarHBondContact O-N 3.23Å; S240-H290 WeakPolarHBondContact OG-CB 3.3Å
241	G	94.8	Very high	97.9	Very high	10 Å²	10	30.6 Å²	30.6	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	-17.4	178.3	0	0	0	0	0	115.5	K178 G243 D268	K178-G241 PolarHBondContact NZ-O 2.76Å; G241-G243 PolarHBondContact O-N 3.06Å; G241-D268 PolarHBondContact N-OD2 3.38Å
242	T	95.6	Very high	98	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-13.4	179.3	63.9	0	0	0	0	113.7	T179 I183 S240 H290 H307	T179-T242 PolarHBondContact OG1-O 2.86Å; I183-T242 HydrophobicContact CD1-CG2 4.45Å; I183-T242 WeakPolarHBondContact CD1-O 3.29Å; I183-T242 VanDerWaalsContact CG1-O 3.29Å; I183-T242 WeakPolarHBondContact CG1-O 3.27Å; S240-T242 PolarHBondContact O-N 2.71Å; S240-T242 VanDerWaalsContact O-N 3.08Å; S240-T242 PolarHBondContact OG-OG1 3.41Å; T242-H290 HydrophobicContact CG2-CB 3.86Å; T242-H290 VanDerWaalsContact OG1-CB 3.24Å; T242-H290 WeakPolarHBondContact OG1-CB 3.49Å; T242-H307 HydrophobicContact CG2-CB 4.32Å
243	G	97.9	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	128.6	178.4	0	0	0	0	0	113.6	K178 S240 G241 F288	K178-G243 VanDerWaalsContact O-CA 3.31Å; K178-G243 WeakPolarHBondContact O-CA 3.05Å; S240-G243 PolarHBondContact O-N 3.23Å; G241-G243 PolarHBondContact O-N 3.06Å; G243-F288 VanDerWaalsContact O-CD1 3.26Å; G243-F288 WeakPolarHBondContact O-CD1 3.42Å
244	Y	98.8	Very high	98.1	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	157.1	172.4	54.4	-105.3	0	0	0	111.4	T159 M163 M177 K178 F206 T207 C239 F246 E267	T159-Y244 VanDerWaalsContact CG2-OH 3.29Å; T159-Y244 WeakPolarHBondContact CG2-OH 3.34Å; M163-Y244 HydrophobicContact CE-CE2 4Å; M177-Y244 WeakPolarHBondContact CA-O 3.27Å; K178-Y244 HydrophobicContact CB-CD2 4.04Å; K178-Y244 HydrophobicContact CB-CE1 4.28Å; K178-Y244 HydrophobicContact CB-CE2 3.46Å; K178-Y244 VanDerWaalsContact CB-CE2 3.46Å; K178-Y244 HydrophobicContact CD-CE1 3.87Å; K178-Y244 HydrophobicContact CG-CE1 4.34Å; K178-Y244 HydrophobicContact CG-CE2 4.2Å; K178-Y244 PolarHBondContact N-O 3.49Å; K178-Y244 PolarHBondContact O-N 2.85Å; F206-Y244 AromaticContact CE1-CD2 3.86Å; F206-Y244 HydrophobicContact CE1-CD2 3.86Å; F206-Y244 AromaticContact CE1-CG 3.87Å; F206-Y244 HydrophobicContact CE1-CG 3.87Å; F206-Y244 AromaticContact CE2-CD2 3.91Å; F206-Y244 HydrophobicContact CE2-CD2 3.91Å; F206-Y244 HydrophobicContact CE2-CE2 4.05Å; F206-Y244 HydrophobicContact CZ-CD1 4.31Å; F206-Y244 AromaticContact CZ-CD2 3.23Å; F206-Y244 HydrophobicContact CZ-CD2 3.23Å; F206-Y244 AromaticContact CZ-CE2 3.57Å; F206-Y244 HydrophobicContact CZ-CE2 3.57Å; F206-Y244 AromaticContact CZ-CG 3.64Å; F206-Y244 HydrophobicContact CZ-CG 3.64Å; T207-Y244 CarbonylContact O-C 3.51Å; T207-Y244 WeakPolarHBondContact O-CA 3.35Å; T207-Y244 WeakPolarHBondContact O-CB 3.46Å; C239-Y244 HydrophobicContact CB-CD1 4.32Å; C239-Y244 HydrophobicContact CB-CG 4.36Å; Y244-F246 AromaticContact CD2-CD1 3.78Å; Y244-F246 HydrophobicContact CD2-CD1 3.78Å; Y244-F246 AromaticContact CD2-CE1 3.88Å; Y244-F246 HydrophobicContact CD2-CE1 3.88Å; Y244-F246 AromaticContact CE2-CD1 3.97Å; Y244-F246 HydrophobicContact CE2-CD1 3.97Å; Y244-F246 AromaticContact CE2-CE1 3.67Å; Y244-F246 HydrophobicContact CE2-CE1 3.67Å; Y244-E267 PolarHBondContact OH-OE1 3.26Å
245	V	98.8	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.7	-175.7	175.2	0	0	0	0	110	V176 M177 L190 L195 F206 T207 F288	V176-V245 CarbonylContact O-C 3.47Å; V176-V245 VanDerWaalsContact O-CA 3.32Å; V176-V245 WeakPolarHBondContact O-CA 3.22Å; M177-V245 HydrophobicContact CB-CG2 3.94Å; M177-V245 HydrophobicContact CG-CG2 3.91Å; M177-V245 HydrophobicContact SD-CG2 4.11Å; L190-V245 HydrophobicContact CD1-CG2 3.69Å; L195-V245 HydrophobicContact CD2-CG1 3.67Å; F206-V245 CarbonylContact C-O 3.58Å; F206-V245 WeakPolarHBondContact CA-O 3.43Å; T207-V245 HydrophobicContact CG2-CB 4.07Å; T207-V245 PolarHBondContact N-O 3.34Å; T207-V245 PolarHBondContact O-N 3.45Å; V245-F288 HydrophobicContact CB-CZ 4.23Å; V245-F288 HydrophobicContact CG2-CE1 4.04Å; V245-F288 HydrophobicContact CG2-CZ 3.66Å
246	F	98.9	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.2	-177.3	53	-78.3	0	0	0	111.3	M163 Y175 V176 Y205 F206 Y244 V250 A251	M163-F246 HydrophobicContact CE-CE1 3.65Å; M163-F246 HydrophobicContact CE-CE2 3.92Å; M163-F246 HydrophobicContact CE-CZ 3.24Å; M163-F246 HydrophobicContact SD-CE1 4.25Å; M163-F246 HydrophobicContact SD-CE2 3.45Å; M163-F246 WeakPolarHBondContact SD-CE2 3.19Å; M163-F246 HydrophobicContact SD-CZ 3.25Å; M163-F246 WeakPolarHBondContact SD-CZ 3.39Å; Y175-F246 CarbonylContact C-O 3.54Å; Y175-F246 WeakPolarHBondContact CA-O 3.49Å; V176-F246 HydrophobicContact CB-CD1 4.4Å; V176-F246 HydrophobicContact CB-CD2 4.05Å; V176-F246 HydrophobicContact CB-CE1 3.88Å; V176-F246 HydrophobicContact CB-CE2 3.52Å; V176-F246 HydrophobicContact CB-CG 4.48Å; V176-F246 HydrophobicContact CB-CZ 3.4Å; V176-F246 HydrophobicContact CG1-CE1 3.82Å; V176-F246 HydrophobicContact CG1-CE2 3.87Å; V176-F246 HydrophobicContact CG1-CZ 3.28Å; V176-F246 HydrophobicContact CG2-CE2 3.93Å; V176-F246 HydrophobicContact CG2-CZ 4.22Å; V176-F246 PolarHBondContact N-O 3.29Å; V176-F246 WeakPolarHBondContact O-CD1 3.31Å; V176-F246 PolarHBondContact O-N 2.98Å; Y205-F246 CarbonylContact O-C 3.55Å; Y205-F246 WeakPolarHBondContact O-CA 3.33Å; Y205-F246 WeakPolarHBondContact O-CB 3.28Å; F206-F246 HydrophobicContact CB-CB 4.33Å; F206-F246 HydrophobicContact CD2-CB 3.45Å; F206-F246 VanDerWaalsContact CD2-CB 3.45Å; F206-F246 HydrophobicContact CD2-CD1 4.28Å; F206-F246 AromaticContact CD2-CG 3.99Å; F206-F246 HydrophobicContact CD2-CG 3.99Å; F206-F246 HydrophobicContact CE2-CB 3.97Å; F206-F246 AromaticContact CE2-CD1 3.9Å; F206-F246 HydrophobicContact CE2-CD1 3.9Å; F206-F246 HydrophobicContact CE2-CG 4.01Å; F206-F246 HydrophobicContact CG-CB 4.06Å; Y244-F246 AromaticContact CD2-CD1 3.78Å; Y244-F246 HydrophobicContact CD2-CD1 3.78Å; Y244-F246 AromaticContact CD2-CE1 3.88Å; Y244-F246 HydrophobicContact CD2-CE1 3.88Å; Y244-F246 AromaticContact CE2-CD1 3.97Å; Y244-F246 HydrophobicContact CE2-CD1 3.97Å; Y244-F246 AromaticContact CE2-CE1 3.67Å; Y244-F246 HydrophobicContact CE2-CE1 3.67Å; F246-V250 HydrophobicContact CB-CB 4.35Å; F246-V250 HydrophobicContact CB-CG1 4.48Å; F246-V250 HydrophobicContact CD2-CB 3.99Å; F246-V250 HydrophobicContact CD2-CG1 4.31Å; F246-A251 HydrophobicContact CE2-CB 3.92Å
247	S	98.7	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.1	171.6	56.5	0	0	0	0	109.6	Q174 R202 R204 Y205 D249 V250	Q174-S247 WeakPolarHBondContact O-CA 3.07Å; R202-S247 WeakPolarHBondContact O-CB 3.39Å; R204-S247 PolarHBondContact N-OG 3.11Å; Y205-S247 PolarHBondContact N-OG 2.8Å; Y205-S247 PolarHBondContact O-N 2.97Å; S247-D249 WeakPolarHBondContact CB-OD1 3.39Å; S247-D249 PolarHBondContact O-N 2.97Å; S247-D249 VanDerWaalsContact O-N 3.09Å; S247-D249 PolarHBondContact OG-OD1 2.96Å; S247-V250 VanDerWaalsContact O-CB 3.29Å; S247-V250 WeakPolarHBondContact O-CB 3.4Å; S247-V250 PolarHBondContact O-N 3.39Å
248	A	98.2	Very high	98.1	Very high	9 Å²	9	19.4 Å²	19.4	7%	0.074	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.8	-169.6	0	0	0	0	0	113.8	A173 Q174 V176 V250 A251	A173-A248 HydrophobicContact CB-CB 3.87Å; A173-A248 WeakPolarHBondContact O-CB 3.42Å; Q174-A248 PolarHBondContact O-N 3.36Å; V176-A248 HydrophobicContact CG2-CB 3.96Å; A248-V250 PolarHBondContact O-N 2.89Å; A248-V250 VanDerWaalsContact O-N 3.15Å; A248-A251 VanDerWaalsContact O-CB 3.24Å; A248-A251 WeakPolarHBondContact O-CB 3.42Å; A248-A251 PolarHBondContact O-N 3.16Å
249	D	98.3	Very high	97.9	Very high	38 Å²	38	20.3 Å²	20.3	20%	0.203	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-23.2	173.5	69	-34	0	0	0	113.1	R203 R204 S247 A251 L253	R203-D249 IonicContact CZ-OD2 2.75Å; R203-D249 IonicContact NE-OD2 3.35Å; R203-D249 PolarHBondContact NE-OD2 3.37Å; R203-D249 VanDerWaalsContact NE-OD2 3.15Å; R203-D249 IonicContact NH2-OD2 2.79Å; R203-D249 PolarHBondContact NH2-OD2 3.48Å; R204-D249 PolarHBondContact N-OD1 3.46Å; R204-D249 PolarHBondContact N-OD2 3.13Å; S247-D249 WeakPolarHBondContact CB-OD1 3.39Å; S247-D249 PolarHBondContact O-N 2.97Å; S247-D249 VanDerWaalsContact O-N 3.09Å; S247-D249 PolarHBondContact OG-OD1 2.96Å; D249-A251 VanDerWaalsContact C-N 3.35Å; D249-L253 WeakPolarHBondContact O-CG 3.18Å
250	V	98.8	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.8	-23.5	176	179.7	0	0	0	0	112.3	F206 F246 S247 A248 L253 I254 L275 I280	F206-V250 HydrophobicContact CD2-CG1 4.12Å; F246-V250 HydrophobicContact CB-CB 4.35Å; F246-V250 HydrophobicContact CB-CG1 4.48Å; F246-V250 HydrophobicContact CD2-CB 3.99Å; F246-V250 HydrophobicContact CD2-CG1 4.31Å; S247-V250 VanDerWaalsContact O-CB 3.29Å; S247-V250 WeakPolarHBondContact O-CB 3.4Å; S247-V250 PolarHBondContact O-N 3.39Å; A248-V250 PolarHBondContact O-N 2.89Å; A248-V250 VanDerWaalsContact O-N 3.15Å; V250-L253 PolarHBondContact O-N 3.13Å; V250-I254 HydrophobicContact CG1-CD1 3.54Å; V250-I254 HydrophobicContact CG1-CG1 3.83Å; V250-I254 WeakPolarHBondContact O-CB 3.38Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 2.72Å; V250-L275 HydrophobicContact CG1-CD2 4.14Å; V250-I280 HydrophobicContact CG1-CD1 4.22Å; V250-I280 HydrophobicContact CG2-CD1 3.99Å
251	A	98.6	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-52.5	177.2	0	0	0	0	0	111.2	M163 V166 F246 A248 D249 L253 I254 Y255	M163-A251 HydrophobicContact CB-CB 4.48Å; M163-A251 HydrophobicContact SD-CB 4.05Å; V166-A251 HydrophobicContact CB-CB 4.25Å; V166-A251 HydrophobicContact CG1-CB 4.1Å; F246-A251 HydrophobicContact CE2-CB 3.92Å; A248-A251 VanDerWaalsContact O-CB 3.24Å; A248-A251 WeakPolarHBondContact O-CB 3.42Å; A248-A251 PolarHBondContact O-N 3.16Å; D249-A251 VanDerWaalsContact C-N 3.35Å; A251-L253 PolarHBondContact O-N 3.1Å; A251-I254 PolarHBondContact O-N 2.84Å; A251-Y255 WeakPolarHBondContact O-CB 3.2Å; A251-Y255 PolarHBondContact O-N 3.26Å
252	E	98.3	Very high	97.6	Very high	84 Å²	84	30.8 Å²	30.8	39%	0.393	14%	0.142	S	C	.	.	H	α-helix	trans	-64.1	-42	178.8	-170.7	-173	-179.6	0	0	111.5	A167 Y255 K256	A167-E252 HydrophobicContact CB-CB 3.75Å; A167-E252 HydrophobicContact CB-CG 4.1Å; E252-Y255 PolarHBondContact O-N 3.25Å; E252-K256 HydrophobicContact CG-CD 4.08Å; E252-K256 HydrophobicContact CG-CG 4.46Å; E252-K256 WeakPolarHBondContact O-CB 3.49Å; E252-K256 WeakPolarHBondContact O-CG 3.36Å; E252-K256 PolarHBondContact O-N 3.43Å; E252-K256 WeakPolarHBondContact OE1-CE 3.46Å; E252-K256 IonicContact OE1-NZ 3.35Å; E252-K256 PolarHBondContact OE1-NZ 3.14Å
253	L	98.6	Very high	97.6	Very high	48 Å²	48	32.9 Å²	32.9	25%	0.251	15%	0.153	S	C	.	.	H	α-helix	trans	-61.8	-45.4	178.9	-69.2	174.3	0	0	0	111.8	R204 D249 V250 A251 T257 L278 I280	R204-L253 HydrophobicContact CG-CD1 4.45Å; D249-L253 WeakPolarHBondContact O-CG 3.18Å; V250-L253 PolarHBondContact O-N 3.13Å; A251-L253 PolarHBondContact O-N 3.1Å; L253-T257 VanDerWaalsContact O-CB 3.25Å; L253-T257 WeakPolarHBondContact O-CB 3.5Å; L253-T257 PolarHBondContact O-N 2.87Å; L253-T257 PolarHBondContact O-OG1 2.9Å; L253-L278 HydrophobicContact CB-CD1 3.79Å; L253-L278 HydrophobicContact CB-CD2 3.95Å; L253-L278 HydrophobicContact CD2-CD2 4.24Å; L253-I280 HydrophobicContact CD1-CD1 4.23Å
254	I	98.7	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-50.8	176	-72.2	170.5	0	0	0	109.5	L160 M163 F206 V250 A251 K256 T257 S258 V271 C274 L275 L278	L160-I254 HydrophobicContact CD2-CG2 4.28Å; M163-I254 HydrophobicContact CE-CD1 4.29Å; M163-I254 HydrophobicContact CG-CG2 4.44Å; M163-I254 HydrophobicContact SD-CD1 4.49Å; F206-I254 HydrophobicContact CD2-CD1 4.36Å; F206-I254 HydrophobicContact CE2-CD1 3.93Å; V250-I254 HydrophobicContact CG1-CD1 3.54Å; V250-I254 HydrophobicContact CG1-CG1 3.83Å; V250-I254 WeakPolarHBondContact O-CB 3.38Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 2.72Å; A251-I254 PolarHBondContact O-N 2.84Å; I254-K256 PolarHBondContact O-N 3.3Å; I254-T257 PolarHBondContact O-N 3.15Å; I254-S258 WeakPolarHBondContact O-CB 3.28Å; I254-S258 PolarHBondContact O-N 3.39Å; I254-V271 HydrophobicContact CD1-CG1 4Å; I254-C274 HydrophobicContact CG1-CB 4.46Å; I254-C274 HydrophobicContact CG2-CB 4.2Å; I254-L275 HydrophobicContact CD1-CD2 4.13Å; I254-L275 HydrophobicContact CG1-CD2 4.36Å; I254-L278 HydrophobicContact CG1-CD1 4.26Å
255	Y	98.3	Very high	97.4	Very high	38 Å²	38	34.5 Å²	34.5	15%	0.149	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-50.6	-178.7	178.5	-110.8	0	0	0	111.7	H64 L160 R164 A251 E252 T257 S258 L259	H64-Y255 HydrophobicContact CB-CE2 4.11Å; L160-Y255 HydrophobicContact CB-CD2 4.47Å; R164-Y255 HydrophobicContact CB-CD1 4.27Å; R164-Y255 HydrophobicContact CB-CD2 3.72Å; R164-Y255 HydrophobicContact CB-CE1 4.2Å; R164-Y255 HydrophobicContact CB-CE2 3.65Å; R164-Y255 HydrophobicContact CB-CG 4.04Å; R164-Y255 WeakPolarHBondContact CD-OH 3.3Å; R164-Y255 HydrophobicContact CG-CD1 4.36Å; R164-Y255 HydrophobicContact CG-CD2 4.4Å; R164-Y255 HydrophobicContact CG-CE1 3.88Å; R164-Y255 HydrophobicContact CG-CE2 3.93Å; A251-Y255 WeakPolarHBondContact O-CB 3.2Å; A251-Y255 PolarHBondContact O-N 3.26Å; E252-Y255 PolarHBondContact O-N 3.25Å; Y255-T257 VanDerWaalsContact C-N 3.34Å; Y255-T257 PolarHBondContact O-N 3.16Å; Y255-S258 WeakPolarHBondContact O-CB 3.25Å; Y255-S258 PolarHBondContact O-N 2.79Å; Y255-S258 PolarHBondContact O-OG 3.37Å; Y255-L259 HydrophobicContact CE1-CD1 4.45Å; Y255-L259 HydrophobicContact CE2-CD2 4.41Å; Y255-L259 PolarHBondContact O-N 3.43Å
256	K	97.6	Very high	97.3	Very high	115 Å²	115	34.9 Å²	34.9	50%	0.5	16%	0.163	S	C	.	.	H	α-helix	trans	-60.9	-40.5	177.3	-74.1	179.7	170.3	173.3	0	112.7	E252 I254 S258 L259	E252-K256 HydrophobicContact CG-CD 4.08Å; E252-K256 HydrophobicContact CG-CG 4.46Å; E252-K256 WeakPolarHBondContact O-CB 3.49Å; E252-K256 WeakPolarHBondContact O-CG 3.36Å; E252-K256 PolarHBondContact O-N 3.43Å; E252-K256 WeakPolarHBondContact OE1-CE 3.46Å; E252-K256 IonicContact OE1-NZ 3.35Å; E252-K256 PolarHBondContact OE1-NZ 3.14Å; I254-K256 PolarHBondContact O-N 3.3Å; K256-S258 VanDerWaalsContact C-N 3.31Å; K256-S258 PolarHBondContact O-N 2.82Å; K256-L259 PolarHBondContact O-N 3.01Å
257	T	97.9	Very high	97.3	Very high	26 Å²	26	35.4 Å²	35.4	16%	0.16	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-34.4	178	-58.8	0	0	0	0	112	L253 I254 Y255 L259 H260 T261 C274 K277 L278	L253-T257 VanDerWaalsContact O-CB 3.25Å; L253-T257 WeakPolarHBondContact O-CB 3.5Å; L253-T257 PolarHBondContact O-N 2.87Å; L253-T257 PolarHBondContact O-OG1 2.9Å; I254-T257 PolarHBondContact O-N 3.15Å; Y255-T257 VanDerWaalsContact C-N 3.34Å; Y255-T257 PolarHBondContact O-N 3.16Å; T257-L259 VanDerWaalsContact C-N 3.29Å; T257-L259 PolarHBondContact O-N 2.79Å; T257-H260 CarbonylContact O-C 3.43Å; T257-H260 PolarHBondContact O-N 3.2Å; T257-H260 VanDerWaalsContact O-N 3.16Å; T257-T261 PolarHBondContact O-N 3.32Å; T257-T261 PolarHBondContact O-OG1 2.72Å; T257-C274 HydrophobicContact CG2-CB 4.13Å; T257-K277 HydrophobicContact CG2-CB 3.87Å; T257-K277 HydrophobicContact CG2-CD 3.94Å; T257-L278 HydrophobicContact CG2-CG 4.41Å; T257-L278 VanDerWaalsContact OG1-CD2 3.32Å; T257-L278 WeakPolarHBondContact OG1-CD2 3.46Å; T257-L278 WeakPolarHBondContact OG1-CG 3.28Å
258	S	97.5	Very high	97.3	Very high	1 Å²	1	37 Å²	37	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-35.2	-179.5	81.4	0	0	0	0	112.5	N62 L160 I254 Y255 K256 H260 T261 Y270	N62-S258 PolarHBondContact ND2-O 3.2Å; N62-S258 VanDerWaalsContact ND2-O 3.11Å; L160-S258 VanDerWaalsContact CD2-CB 3.45Å; L160-S258 WeakPolarHBondContact CD2-OG 3.42Å; I254-S258 WeakPolarHBondContact O-CB 3.28Å; I254-S258 PolarHBondContact O-N 3.39Å; Y255-S258 WeakPolarHBondContact O-CB 3.25Å; Y255-S258 PolarHBondContact O-N 2.79Å; Y255-S258 PolarHBondContact O-OG 3.37Å; K256-S258 VanDerWaalsContact C-N 3.31Å; K256-S258 PolarHBondContact O-N 2.82Å; S258-H260 PolarHBondContact O-N 3.34Å; S258-T261 PolarHBondContact O-N 3.45Å; S258-Y270 VanDerWaalsContact CA-OH 3.32Å; S258-Y270 WeakPolarHBondContact CA-OH 3.43Å; S258-Y270 WeakPolarHBondContact CB-OH 3.43Å; S258-Y270 PolarHBondContact O-OH 2.95Å
259	L	96.1	Very high	97.3	Very high	33 Å²	33	36.7 Å²	36.7	17%	0.173	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.9	178.6	-60	179.5	0	0	0	112.2	P60 L61 N62 H64 Y255 K256 T257	P60-L259 CarbonylContact C-O 3.54Å; P60-L259 WeakPolarHBondContact CA-O 3.46Å; P60-L259 HydrophobicContact CB-CB 4.06Å; P60-L259 WeakPolarHBondContact CB-O 3.48Å; L61-L259 PolarHBondContact N-O 2.98Å; N62-L259 PolarHBondContact N-O 3.05Å; N62-L259 WeakPolarHBondContact O-CD2 3.34Å; H64-L259 HydrophobicContact CB-CD2 3.89Å; Y255-L259 HydrophobicContact CE1-CD1 4.45Å; Y255-L259 HydrophobicContact CE2-CD2 4.41Å; Y255-L259 PolarHBondContact O-N 3.43Å; K256-L259 PolarHBondContact O-N 3.01Å; T257-L259 VanDerWaalsContact C-N 3.29Å; T257-L259 PolarHBondContact O-N 2.79Å
260	H	95.7	Very high	97.3	Very high	95 Å²	95	35 Å²	35	44%	0.44	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	21.9	-179.8	-54.4	-76.8	0	0	0	112.9	T257 S258 K277	T257-H260 CarbonylContact O-C 3.43Å; T257-H260 PolarHBondContact O-N 3.2Å; T257-H260 VanDerWaalsContact O-N 3.16Å; S258-H260 PolarHBondContact O-N 3.34Å; H260-K277 PolarHBondContact O-NZ 3.21Å
261	T	94.6	Very high	97.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	16%	0.162	C	C	.	.	S	Bend	trans	-126.1	120.3	-179.6	-60.6	0	0	0	0	110.1	N62 T257 S258 L263 Y270 M273 K277	N62-T261 PolarHBondContact ND2-O 3.29Å; T257-T261 PolarHBondContact O-N 3.32Å; T257-T261 PolarHBondContact O-OG1 2.72Å; S258-T261 PolarHBondContact O-N 3.45Å; T261-L263 PolarHBondContact O-N 3.35Å; T261-Y270 HydrophobicContact CG2-CE2 3.94Å; T261-Y270 PolarHBondContact O-OH 3.22Å; T261-M273 HydrophobicContact CG2-CB 4.35Å; T261-M273 HydrophobicContact CG2-CE 3.88Å; T261-K277 HydrophobicContact CG2-CD 4.38Å; T261-K277 WeakPolarHBondContact OG1-CD 3.38Å; T261-K277 WeakPolarHBondContact OG1-CE 3.38Å; T261-K277 PolarHBondContact OG1-NZ 2.89Å
262	R	94.3	Very high	97.3	Very high	143 Å²	143	35.2 Å²	35.2	54%	0.54	16%	0.163	S	C	.	.			trans	-47.1	119.3	-177.8	-176	174	-170.9	-177.4	-3.7	111.5	D228 L229 L264 Y270	D228-R262 PolarHBondContact O-NH1 2.79Å; D228-R262 PolarHBondContact O-NH2 3.22Å; D228-R262 VanDerWaalsContact O-NH2 3.12Å; L229-R262 HydrophobicContact CD1-CG 4.46Å; R262-L264 PolarHBondContact O-N 2.75Å; R262-Y270 WeakPolarHBondContact O-CE2 3.49Å
263	L	95.2	Very high	97.3	Very high	56 Å²	56	32.4 Å²	32.4	29%	0.293	15%	0.15	S	C	.	.			trans	-60.2	133.6	-174.8	-167.3	69	0	0	0	111.4	N62 T156 L157 L160 T261 Y270	N62-L263 WeakPolarHBondContact OD1-CB 3.1Å; N62-L263 PolarHBondContact OD1-N 3.2Å; T156-L263 HydrophobicContact CG2-CD1 3.51Å; L157-L263 HydrophobicContact CD2-CD1 4.42Å; L157-L263 HydrophobicContact CD2-CD2 4.04Å; L160-L263 HydrophobicContact CD1-CD1 4.42Å; T261-L263 PolarHBondContact O-N 3.35Å; L263-Y270 HydrophobicContact CD1-CE1 4.33Å; L263-Y270 HydrophobicContact CD1-CE2 4.12Å
264	L	96.5	Very high	97.3	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	14%	0.138	C	C	.	.			trans	-116.5	155.2	167.9	-58.9	-175.5	0	0	0	108.6	T156 M225 L229 Y230 R262 V269 Y270 M273	T156-L264 VanDerWaalsContact CB-O 3.28Å; T156-L264 WeakPolarHBondContact CB-O 3.38Å; T156-L264 WeakPolarHBondContact CG2-O 3.47Å; T156-L264 PolarHBondContact OG1-O 2.85Å; M225-L264 HydrophobicContact CE-CB 4.24Å; M225-L264 HydrophobicContact CE-CD1 4.02Å; M225-L264 HydrophobicContact CE-CD2 4.21Å; M225-L264 HydrophobicContact CE-CG 4.4Å; M225-L264 HydrophobicContact SD-CD2 4Å; L229-L264 HydrophobicContact CD1-CD2 3.9Å; L229-L264 HydrophobicContact CD2-CD2 3.82Å; L229-L264 HydrophobicContact CG-CD2 3.53Å; Y230-L264 HydrophobicContact CD2-CD1 4.11Å; R262-L264 PolarHBondContact O-N 2.75Å; L264-V269 HydrophobicContact CD1-CG1 4.1Å; L264-Y270 HydrophobicContact CB-CD2 4.06Å; L264-Y270 HydrophobicContact CG-CD2 4.27Å; L264-M273 HydrophobicContact CB-CE 4.46Å; L264-M273 HydrophobicContact CD1-CE 3.34Å; L264-M273 HydrophobicContact CD1-SD 3.65Å; L264-M273 HydrophobicContact CG-CE 3.53Å; L264-M273 HydrophobicContact CG-SD 4.4Å
265	H	95.4	Very high	97.3	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.139	14%	0.139	C	C	.	.	S	Bend	trans	-83	-28.2	178.9	64	-82.1	0	0	0	112.5	H153 T156 Y224 E267	H153-H265 HydrophobicContact CB-CB 4.33Å; H153-H265 AromaticContact ND1-CD2 3.57Å; H153-H265 AromaticContact ND1-CG 3.76Å; H153-H265 VanDerWaalsContact O-CB 3.3Å; H153-H265 WeakPolarHBondContact O-CB 3.4Å; T156-H265 PolarHBondContact OG1-O 3.29Å; Y224-H265 PolarHBondContact O-CE1 2.63Å; Y224-H265 PolarHBondContact O-NE2 3.13Å; H265-E267 PolarHBondContact O-N 3.04Å; H265-E267 VanDerWaalsContact O-N 3.15Å
266	L	98.1	Very high	97.3	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.047	16%	0.159	C	C	.	.			trans	-74.6	100.8	173.2	-58.4	-178	0	0	0	109.3	W223 M225 V269 Y270	W223-L266 HydrophobicContact CB-CD2 4.49Å; M225-L266 HydrophobicContact CE-CB 4.42Å; M225-L266 HydrophobicContact CE-CD1 3.82Å; M225-L266 HydrophobicContact CE-CG 4.01Å; L266-V269 HydrophobicContact CB-CB 4.03Å; L266-V269 HydrophobicContact CB-CG2 4.02Å; L266-V269 HydrophobicContact CD1-CG2 4.23Å; L266-V269 PolarHBondContact O-N 2.9Å; L266-Y270 WeakPolarHBondContact O-CB 3.25Å; L266-Y270 PolarHBondContact O-N 2.86Å
267	E	98.1	Very high	97.4	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-47.9	-171.8	176.6	-85.7	135.1	0	0	113.4	L155 T156 T159 K178 Y244 H265 V269 Y270 V271	L155-E267 HydrophobicContact CB-CB 4.05Å; T156-E267 WeakPolarHBondContact OG1-CA 3.49Å; T156-E267 PolarHBondContact OG1-N 3.19Å; T159-E267 VanDerWaalsContact CB-CG 3.48Å; T159-E267 HydrophobicContact CG2-CG 4.05Å; T159-E267 VanDerWaalsContact CG2-OE1 3.27Å; T159-E267 WeakPolarHBondContact CG2-OE1 3.29Å; T159-E267 VanDerWaalsContact OG1-CD 3.23Å; T159-E267 WeakPolarHBondContact OG1-CG 3.49Å; T159-E267 PolarHBondContact OG1-OE1 3.46Å; K178-E267 WeakPolarHBondContact CE-OE2 3.43Å; K178-E267 IonicContact NZ-OE2 3.8Å; K178-E267 PolarHBondContact NZ-OE2 3.25Å; Y244-E267 PolarHBondContact OH-OE1 3.26Å; H265-E267 PolarHBondContact O-N 3.04Å; H265-E267 VanDerWaalsContact O-N 3.15Å; E267-V269 PolarHBondContact O-N 3.4Å; E267-Y270 WeakPolarHBondContact O-CB 3.26Å; E267-Y270 PolarHBondContact O-N 2.72Å; E267-Y270 VanDerWaalsContact O-N 3.1Å; E267-V271 WeakPolarHBondContact O-CG2 3.32Å; E267-V271 PolarHBondContact O-N 2.82Å; E267-V271 VanDerWaalsContact OE1-CG2 3.3Å; E267-V271 WeakPolarHBondContact OE1-CG2 3.47Å
268	D	98.3	Very high	97.4	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-44.6	-179.2	56.5	-5.6	0	0	0	112.3	F238 C239 G241 Y270 V271 G272	F238-D268 WeakPolarHBondContact CB-O 3.21Å; F238-D268 HydrophobicContact CD2-CB 3.94Å; F238-D268 HydrophobicContact CE2-CB 4.37Å; C239-D268 WeakPolarHBondContact O-CB 3.47Å; G241-D268 PolarHBondContact N-OD2 3.38Å; D268-Y270 VanDerWaalsContact C-N 3.32Å; D268-Y270 PolarHBondContact O-N 3.27Å; D268-V271 PolarHBondContact O-N 2.68Å; D268-G272 PolarHBondContact O-N 3.36Å
269	V	98.5	Very high	97.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-43.1	171.9	177.4	0	0	0	0	110.8	Y235 F238 L264 L266 E267 G272 M273	Y235-V269 HydrophobicContact CD1-CG1 3.51Å; Y235-V269 HydrophobicContact CD2-CG1 3.97Å; Y235-V269 HydrophobicContact CD2-CG2 3.83Å; Y235-V269 HydrophobicContact CE1-CG1 3.65Å; Y235-V269 HydrophobicContact CE2-CG1 4.07Å; Y235-V269 HydrophobicContact CE2-CG2 3.75Å; Y235-V269 HydrophobicContact CG-CG1 3.68Å; Y235-V269 HydrophobicContact CG-CG2 4.36Å; F238-V269 HydrophobicContact CD1-CG2 4.37Å; F238-V269 HydrophobicContact CD2-CG2 4.27Å; F238-V269 HydrophobicContact CE1-CG2 4.1Å; F238-V269 HydrophobicContact CE2-CG2 3.97Å; F238-V269 HydrophobicContact CG-CG2 4.46Å; F238-V269 HydrophobicContact CZ-CG2 3.88Å; L264-V269 HydrophobicContact CD1-CG1 4.1Å; L266-V269 HydrophobicContact CB-CB 4.03Å; L266-V269 HydrophobicContact CB-CG2 4.02Å; L266-V269 HydrophobicContact CD1-CG2 4.23Å; L266-V269 PolarHBondContact O-N 2.9Å; E267-V269 PolarHBondContact O-N 3.4Å; V269-G272 WeakPolarHBondContact O-CA 3.4Å; V269-G272 PolarHBondContact O-N 3.26Å; V269-M273 WeakPolarHBondContact O-CG 3.47Å; V269-M273 PolarHBondContact O-N 2.94Å
270	Y	98.6	Very high	97.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-42	-179.5	-175.8	-97.8	0	0	0	112.5	T156 L160 S258 T261 R262 L263 L264 L266 E267 D268 G272 M273 C274	T156-Y270 HydrophobicContact CG2-CD1 3.26Å; T156-Y270 HydrophobicContact CG2-CD2 4.29Å; T156-Y270 HydrophobicContact CG2-CE1 3.71Å; T156-Y270 HydrophobicContact CG2-CG 3.56Å; L160-Y270 HydrophobicContact CD1-CE1 3.87Å; L160-Y270 HydrophobicContact CD2-CE1 4.11Å; L160-Y270 HydrophobicContact CG-CE1 4.3Å; S258-Y270 VanDerWaalsContact CA-OH 3.32Å; S258-Y270 WeakPolarHBondContact CA-OH 3.43Å; S258-Y270 WeakPolarHBondContact CB-OH 3.43Å; S258-Y270 PolarHBondContact O-OH 2.95Å; T261-Y270 HydrophobicContact CG2-CE2 3.94Å; T261-Y270 PolarHBondContact O-OH 3.22Å; R262-Y270 WeakPolarHBondContact O-CE2 3.49Å; L263-Y270 HydrophobicContact CD1-CE1 4.33Å; L263-Y270 HydrophobicContact CD1-CE2 4.12Å; L264-Y270 HydrophobicContact CB-CD2 4.06Å; L264-Y270 HydrophobicContact CG-CD2 4.27Å; L266-Y270 WeakPolarHBondContact O-CB 3.25Å; L266-Y270 PolarHBondContact O-N 2.86Å; E267-Y270 WeakPolarHBondContact O-CB 3.26Å; E267-Y270 PolarHBondContact O-N 2.72Å; E267-Y270 VanDerWaalsContact O-N 3.1Å; D268-Y270 VanDerWaalsContact C-N 3.32Å; D268-Y270 PolarHBondContact O-N 3.27Å; Y270-G272 VanDerWaalsContact C-N 3.33Å; Y270-M273 HydrophobicContact CD2-CE 3.44Å; Y270-M273 VanDerWaalsContact CD2-CE 3.44Å; Y270-M273 HydrophobicContact CE2-CE 3.96Å; Y270-M273 HydrophobicContact CG-CE 4.34Å; Y270-M273 WeakPolarHBondContact O-CB 3.48Å; Y270-M273 PolarHBondContact O-N 3.03Å; Y270-C274 PolarHBondContact O-N 3.49Å; Y270-C274 VanDerWaalsContact O-N 3.12Å; Y270-C274 PolarHBondContact O-SG 3.32Å; Y270-C274 VanDerWaalsContact O-SG 3.39Å
271	V	98.7	Very high	97.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-44.2	171.3	169.4	0	0	0	0	110.4	T159 F206 I254 E267 D268 M273 C274 L275	T159-V271 HydrophobicContact CG2-CG2 4.18Å; F206-V271 HydrophobicContact CE2-CG1 3.88Å; F206-V271 HydrophobicContact CZ-CG1 3.68Å; I254-V271 HydrophobicContact CD1-CG1 4Å; E267-V271 WeakPolarHBondContact O-CG2 3.32Å; E267-V271 PolarHBondContact O-N 2.82Å; E267-V271 VanDerWaalsContact OE1-CG2 3.3Å; E267-V271 WeakPolarHBondContact OE1-CG2 3.47Å; D268-V271 PolarHBondContact O-N 2.68Å; V271-M273 VanDerWaalsContact C-N 3.3Å; V271-M273 PolarHBondContact O-N 3.35Å; V271-C274 WeakPolarHBondContact O-CB 3.48Å; V271-C274 PolarHBondContact O-N 3.31Å; V271-L275 HydrophobicContact CG1-CD1 4.21Å; V271-L275 HydrophobicContact CG1-CG 4.32Å; V271-L275 WeakPolarHBondContact O-CG 3.19Å; V271-L275 PolarHBondContact O-N 3.31Å
272	G	98.5	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-39.3	173.8	0	0	0	0	0	113.9	D268 V269 Y270 L275 R276	D268-G272 PolarHBondContact O-N 3.36Å; V269-G272 WeakPolarHBondContact O-CA 3.4Å; V269-G272 PolarHBondContact O-N 3.26Å; Y270-G272 VanDerWaalsContact C-N 3.33Å; G272-L275 PolarHBondContact O-N 2.95Å; G272-R276 PolarHBondContact O-N 3.36Å
273	M	98.4	Very high	98	Very high	26 Å²	26	40.4 Å²	40.4	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-41.3	173.1	-65.2	-162	-56.1	0	0	112.6	Y230 P236 T261 L264 V269 Y270 V271 R276 K277	Y230-M273 HydrophobicContact CD2-SD 4.21Å; Y230-M273 HydrophobicContact CE2-SD 3.81Å; P236-M273 HydrophobicContact CG-CB 4.49Å; P236-M273 HydrophobicContact CG-CG 3.98Å; T261-M273 HydrophobicContact CG2-CB 4.35Å; T261-M273 HydrophobicContact CG2-CE 3.88Å; L264-M273 HydrophobicContact CB-CE 4.46Å; L264-M273 HydrophobicContact CD1-CE 3.34Å; L264-M273 HydrophobicContact CD1-SD 3.65Å; L264-M273 HydrophobicContact CG-CE 3.53Å; L264-M273 HydrophobicContact CG-SD 4.4Å; V269-M273 WeakPolarHBondContact O-CG 3.47Å; V269-M273 PolarHBondContact O-N 2.94Å; Y270-M273 HydrophobicContact CD2-CE 3.44Å; Y270-M273 VanDerWaalsContact CD2-CE 3.44Å; Y270-M273 HydrophobicContact CE2-CE 3.96Å; Y270-M273 HydrophobicContact CG-CE 4.34Å; Y270-M273 WeakPolarHBondContact O-CB 3.48Å; Y270-M273 PolarHBondContact O-N 3.03Å; V271-M273 VanDerWaalsContact C-N 3.3Å; V271-M273 PolarHBondContact O-N 3.35Å; M273-R276 PolarHBondContact O-N 3.25Å; M273-K277 PolarHBondContact O-N 2.72Å; M273-K277 VanDerWaalsContact O-N 3.1Å
274	C	98.7	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-44.2	176.4	-63.9	0	0	0	0	110.9	I254 T257 Y270 V271 R276 K277 L278	I254-C274 HydrophobicContact CG1-CB 4.46Å; I254-C274 HydrophobicContact CG2-CB 4.2Å; T257-C274 HydrophobicContact CG2-CB 4.13Å; Y270-C274 PolarHBondContact O-N 3.49Å; Y270-C274 VanDerWaalsContact O-N 3.12Å; Y270-C274 PolarHBondContact O-SG 3.32Å; Y270-C274 VanDerWaalsContact O-SG 3.39Å; V271-C274 WeakPolarHBondContact O-CB 3.48Å; V271-C274 PolarHBondContact O-N 3.31Å; C274-R276 PolarHBondContact O-N 2.77Å; C274-K277 PolarHBondContact O-N 2.72Å; C274-L278 WeakPolarHBondContact O-CB 3.23Å; C274-L278 WeakPolarHBondContact O-CD1 3.28Å; C274-L278 WeakPolarHBondContact O-CG 3.49Å; C274-L278 PolarHBondContact O-N 3.48Å
275	L	98.8	Very high	98.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-45	175.5	-67.8	177	0	0	0	112.1	F206 V250 I254 V271 G272 K277 L278 G279 I280 P282	F206-L275 HydrophobicContact CB-CD1 4.39Å; F206-L275 HydrophobicContact CB-CD2 4.33Å; F206-L275 HydrophobicContact CD1-CD1 3.75Å; F206-L275 HydrophobicContact CD2-CD1 3.86Å; F206-L275 HydrophobicContact CD2-CD2 3.71Å; F206-L275 HydrophobicContact CD2-CG 4.36Å; F206-L275 HydrophobicContact CE1-CD1 3.9Å; F206-L275 HydrophobicContact CE2-CD1 4.02Å; F206-L275 HydrophobicContact CE2-CD2 4.24Å; F206-L275 HydrophobicContact CG-CD1 3.73Å; F206-L275 HydrophobicContact CG-CD2 4.08Å; F206-L275 HydrophobicContact CZ-CD1 4.03Å; V250-L275 HydrophobicContact CG1-CD2 4.14Å; I254-L275 HydrophobicContact CD1-CD2 4.13Å; I254-L275 HydrophobicContact CG1-CD2 4.36Å; V271-L275 HydrophobicContact CG1-CD1 4.21Å; V271-L275 HydrophobicContact CG1-CG 4.32Å; V271-L275 WeakPolarHBondContact O-CG 3.19Å; V271-L275 PolarHBondContact O-N 3.31Å; G272-L275 PolarHBondContact O-N 2.95Å; L275-K277 PolarHBondContact O-N 2.94Å; L275-L278 CarbonylContact O-C 3.05Å; L275-L278 PolarHBondContact O-N 3.01Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L275-G279 PolarHBondContact O-N 3.29Å; L275-I280 CarbonylContact C-O 3.54Å; L275-I280 HydrophobicContact CD2-CB 3.96Å; L275-I280 HydrophobicContact CD2-CG2 3.87Å; L275-I280 PolarHBondContact O-N 3.34Å; L275-P282 HydrophobicContact CD1-CB 4.38Å
276	R	98.4	Very high	98.2	Very high	152 Å²	152	47.6 Å²	47.6	57%	0.574	24%	0.24	S	C	*	.	H	α-helix	trans	-58.6	-45.9	175.4	176.1	169.2	174.7	-166.9	5.4	112.1	E232 P236 G272 M273 C274 L278 G279	E232-R276 IonicContact OE2-NH1 3.15Å; P236-R276 HydrophobicContact CB-CB 3.9Å; P236-R276 HydrophobicContact CB-CG 4.4Å; P236-R276 HydrophobicContact CG-CB 4.5Å; G272-R276 PolarHBondContact O-N 3.36Å; M273-R276 PolarHBondContact O-N 3.25Å; C274-R276 PolarHBondContact O-N 2.77Å; R276-L278 VanDerWaalsContact C-N 3.27Å; R276-L278 PolarHBondContact O-N 3.05Å; R276-G279 PolarHBondContact O-N 3.48Å; R276-G279 VanDerWaalsContact O-N 3.15Å
277	K	98.3	Very high	98.2	Very high	125 Å²	125	47.5 Å²	47.5	54%	0.543	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-33.8	177.3	-75	-176.2	172.7	-166.8	0	112.8	T257 H260 T261 M273 C274 L275 G279	T257-K277 HydrophobicContact CG2-CB 3.87Å; T257-K277 HydrophobicContact CG2-CD 3.94Å; H260-K277 PolarHBondContact O-NZ 3.21Å; T261-K277 HydrophobicContact CG2-CD 4.38Å; T261-K277 WeakPolarHBondContact OG1-CD 3.38Å; T261-K277 WeakPolarHBondContact OG1-CE 3.38Å; T261-K277 PolarHBondContact OG1-NZ 2.89Å; M273-K277 PolarHBondContact O-N 2.72Å; M273-K277 VanDerWaalsContact O-N 3.1Å; C274-K277 PolarHBondContact O-N 2.72Å; L275-K277 PolarHBondContact O-N 2.94Å; K277-G279 VanDerWaalsContact C-N 3.28Å
278	L	98.4	Very high	98.2	Very high	32 Å²	32	47 Å²	47	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-77.9	-11.9	176.7	-72.2	164	0	0	0	113.1	R204 L253 I254 T257 C274 L275 R276 I280	R204-L278 PolarHBondContact NH2-O 3.02Å; L253-L278 HydrophobicContact CB-CD1 3.79Å; L253-L278 HydrophobicContact CB-CD2 3.95Å; L253-L278 HydrophobicContact CD2-CD2 4.24Å; I254-L278 HydrophobicContact CG1-CD1 4.26Å; T257-L278 HydrophobicContact CG2-CG 4.41Å; T257-L278 VanDerWaalsContact OG1-CD2 3.32Å; T257-L278 WeakPolarHBondContact OG1-CD2 3.46Å; T257-L278 WeakPolarHBondContact OG1-CG 3.28Å; C274-L278 WeakPolarHBondContact O-CB 3.23Å; C274-L278 WeakPolarHBondContact O-CD1 3.28Å; C274-L278 WeakPolarHBondContact O-CG 3.49Å; C274-L278 PolarHBondContact O-N 3.48Å; L275-L278 CarbonylContact O-C 3.05Å; L275-L278 PolarHBondContact O-N 3.01Å; L275-L278 VanDerWaalsContact O-N 3.17Å; R276-L278 VanDerWaalsContact C-N 3.27Å; R276-L278 PolarHBondContact O-N 3.05Å; L278-I280 VanDerWaalsContact C-N 3.25Å; L278-I280 HydrophobicContact CB-CD1 4Å; L278-I280 HydrophobicContact CB-CG1 4.08Å; L278-I280 HydrophobicContact CD1-CD1 4.24Å; L278-I280 PolarHBondContact O-N 3.35Å
279	G	98.4	Very high	98	Very high	48 Å²	48	45.6 Å²	45.6	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	23.7	-171.2	0	0	0	0	0	113.4	L275 R276 K277	L275-G279 PolarHBondContact O-N 3.29Å; R276-G279 PolarHBondContact O-N 3.48Å; R276-G279 VanDerWaalsContact O-N 3.15Å; K277-G279 VanDerWaalsContact C-N 3.28Å
280	I	98.6	Very high	97.8	Very high	8 Å²	8	48 Å²	48	4%	0.041	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-94.6	124.4	174.7	-63.8	168.9	0	0	0	107.9	R204 F206 V250 L253 L275 L278	R204-I280 HydrophobicContact CB-CD1 4.2Å; R204-I280 HydrophobicContact CB-CG1 4.25Å; R204-I280 WeakPolarHBondContact O-CG2 3.24Å; F206-I280 HydrophobicContact CB-CG2 4.18Å; V250-I280 HydrophobicContact CG1-CD1 4.22Å; V250-I280 HydrophobicContact CG2-CD1 3.99Å; L253-I280 HydrophobicContact CD1-CD1 4.23Å; L275-I280 CarbonylContact C-O 3.54Å; L275-I280 HydrophobicContact CD2-CB 3.96Å; L275-I280 HydrophobicContact CD2-CG2 3.87Å; L275-I280 PolarHBondContact O-N 3.34Å; L278-I280 VanDerWaalsContact C-N 3.25Å; L278-I280 HydrophobicContact CB-CD1 4Å; L278-I280 HydrophobicContact CB-CG1 4.08Å; L278-I280 HydrophobicContact CD1-CD1 4.24Å; L278-I280 PolarHBondContact O-N 3.35Å
281	H	98.1	Very high	97.5	Very high	142 Å²	142	53.9 Å²	53.9	66%	0.657	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-97.3	125.7	178.3	-67.5	80.7	0	0	0	109.7
282	P	98.3	Very high	97.4	Very high	21 Å²	21	57.2 Å²	57.2	14%	0.136	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-71.8	135.6	175.6	30.5	-34.4	0	0	0	110.6	F206 V210 P237 L275	F206-P282 HydrophobicContact CD1-CB 3.98Å; F206-P282 WeakPolarHBondContact O-CA 3.48Å; V210-P282 HydrophobicContact CG1-CG 4.41Å; V210-P282 HydrophobicContact CG2-CB 3.94Å; V210-P282 HydrophobicContact CG2-CG 4.18Å; P237-P282 HydrophobicContact CB-CG 4.14Å; L275-P282 HydrophobicContact CD1-CB 4.38Å
283	Y	98.4	Very high	97.2	Very high	140 Å²	140	58.3 Å²	58.3	55%	0.549	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.4	178.5	-65.8	-85.4	0	0	0	110.9	Y205 F206 T207 G208 N285	Y205-Y283 AromaticContact CD2-CD2 3.79Å; Y205-Y283 HydrophobicContact CD2-CD2 3.79Å; Y205-Y283 AromaticContact CD2-CE2 3.93Å; Y205-Y283 HydrophobicContact CD2-CE2 3.93Å; Y205-Y283 AromaticContact CE2-CD2 3.66Å; Y205-Y283 HydrophobicContact CE2-CD2 3.66Å; Y205-Y283 HydrophobicContact CE2-CE2 4.2Å; Y205-Y283 HydrophobicContact CE2-CG 4.29Å; F206-Y283 WeakPolarHBondContact O-CD2 3.44Å; F206-Y283 PolarHBondContact O-N 3.04Å; T207-Y283 WeakPolarHBondContact CA-O 3.42Å; T207-Y283 WeakPolarHBondContact CB-O 3.44Å; T207-Y283 PolarHBondContact OG1-O 3.02Å; G208-Y283 PolarHBondContact N-O 3.15Å; Y283-N285 PolarHBondContact O-N 2.68Å
284	Q	98.3	Very high	97	Very high	100 Å²	100	60.4 Å²	60.4	47%	0.467	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131	173.2	173.9	60.2	15.1	0	0	110.7	V210	V210-Q284 HydrophobicContact CB-CB 4.3Å; V210-Q284 VanDerWaalsContact CB-OE1 3.27Å; V210-Q284 HydrophobicContact CG2-CB 4.24Å; V210-Q284 PolarHBondContact O-OE1 3.12Å
285	N	98.1	Very high	96.8	Very high	35 Å²	35	64.2 Å²	64.2	19%	0.187	32%	0.32	C	S	.	.			trans	-137.4	115.2	174.1	-173.2	-38.7	0	0	0	110.7	L194 T207 G208 Y283 G287 F288	L194-N285 WeakPolarHBondContact CD1-ND2 3.46Å; T207-N285 WeakPolarHBondContact OG1-CB 3.3Å; G208-N285 PolarHBondContact O-N 3.02Å; Y283-N285 PolarHBondContact O-N 2.68Å; N285-G287 PolarHBondContact O-N 2.77Å; N285-G287 WeakPolarHBondContact OD1-CA 3.37Å; N285-G287 PolarHBondContact OD1-N 3.35Å; N285-F288 HydrophobicContact CB-CD2 3.79Å; N285-F288 HydrophobicContact CB-CE2 4.16Å; N285-F288 PolarHBondContact O-N 2.7Å; N285-F288 VanDerWaalsContact O-N 3.15Å
286	S	95.2	Very high	96.7	Very high	107 Å²	107	66.2 Å²	66.2	75%	0.748	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.8	-178.3	57.7	0	0	0	0	114.3	F288	S286-F288 VanDerWaalsContact C-N 3.28Å
287	G	97.1	Very high	96.5	Very high	7 Å²	7	60.1 Å²	60.1	7%	0.072	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.8	170.8	0	0	0	0	0	112.5	N285 N289 V303 I304 T305	N285-G287 PolarHBondContact O-N 2.77Å; N285-G287 WeakPolarHBondContact OD1-CA 3.37Å; N285-G287 PolarHBondContact OD1-N 3.35Å; G287-N289 PolarHBondContact O-N 2.66Å; G287-V303 WeakPolarHBondContact O-CB 3.38Å; G287-I304 PolarHBondContact O-N 3.45Å; G287-T305 PolarHBondContact O-N 2.98Å
288	F	98.1	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-83.1	108.9	174.3	-70.5	-100.5	0	0	0	109	L194 T207 Y209 G243 V245 N285 S286 I304 T305	L194-F288 HydrophobicContact CD2-CE2 3.7Å; L194-F288 HydrophobicContact CD2-CZ 3.88Å; T207-F288 HydrophobicContact CG2-CE2 4.25Å; T207-F288 HydrophobicContact CG2-CZ 4.47Å; Y209-F288 WeakPolarHBondContact CB-O 3.46Å; Y209-F288 VanDerWaalsContact CD2-O 3.22Å; Y209-F288 WeakPolarHBondContact CD2-O 3.48Å; G243-F288 VanDerWaalsContact O-CD1 3.26Å; G243-F288 WeakPolarHBondContact O-CD1 3.42Å; V245-F288 HydrophobicContact CB-CZ 4.23Å; V245-F288 HydrophobicContact CG2-CE1 4.04Å; V245-F288 HydrophobicContact CG2-CZ 3.66Å; N285-F288 HydrophobicContact CB-CD2 3.79Å; N285-F288 HydrophobicContact CB-CE2 4.16Å; N285-F288 PolarHBondContact O-N 2.7Å; N285-F288 VanDerWaalsContact O-N 3.15Å; S286-F288 VanDerWaalsContact C-N 3.28Å; F288-I304 HydrophobicContact CD2-CD1 4.22Å; F288-I304 HydrophobicContact CE1-CG2 4.34Å; F288-I304 HydrophobicContact CE2-CD1 3.79Å; F288-I304 HydrophobicContact CE2-CG2 4.46Å; F288-I304 HydrophobicContact CZ-CD1 4.4Å; F288-I304 HydrophobicContact CZ-CG2 4.18Å; F288-T305 WeakPolarHBondContact CA-OG1 3.41Å; F288-T305 HydrophobicContact CD1-CG2 3.73Å; F288-T305 HydrophobicContact CE1-CG2 4.04Å
289	N	94.9	Very high	96.1	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	32%	0.321	C	S	.	.			trans	-107.8	126.8	178.7	160.3	113.8	0	0	0	108.8	G287 W291 T305	G287-N289 PolarHBondContact O-N 2.66Å; N289-W291 PolarHBondContact ND2-N 2.8Å; N289-W291 PolarHBondContact ND2-O 3.17Å; N289-W291 VanDerWaalsContact OD1-CD2 3.31Å; N289-W291 WeakPolarHBondContact OD1-CZ2 3.31Å; N289-W291 PolarHBondContact OD1-NE1 3.46Å; N289-T305 VanDerWaalsContact CB-O 3.3Å; N289-T305 WeakPolarHBondContact CB-O 3.37Å; N289-T305 PolarHBondContact N-O 3.45Å; N289-T305 PolarHBondContact N-OG1 3.49Å; N289-T305 PolarHBondContact O-OG1 3.28Å
290	H	92.6	Very high	96	Very high	54 Å²	54	59.7 Å²	59.7	25%	0.25	30%	0.297	C	S	.	.			trans	-107	14.6	-171.6	66.8	-88.1	0	0	0	113.4	Y209 S240 T242 H307	Y209-H290 AromaticContact CD1-CE1 3.46Å; Y209-H290 VanDerWaalsContact CD1-CE1 3.46Å; Y209-H290 WeakPolarHBondContact CD1-CE1 3.44Å; Y209-H290 AromaticContact CD1-ND1 3.22Å; Y209-H290 WeakPolarHBondContact CD1-ND1 3.21Å; Y209-H290 AromaticContact CD2-ND1 3.83Å; Y209-H290 AromaticContact CE1-CE1 3.12Å; Y209-H290 WeakPolarHBondContact CE1-CE1 3.3Å; Y209-H290 AromaticContact CE1-ND1 3.42Å; Y209-H290 WeakPolarHBondContact CE1-ND1 3.27Å; Y209-H290 AromaticContact CE2-ND1 3.97Å; Y209-H290 AromaticContact CG-ND1 3.44Å; Y209-H290 AromaticContact CZ-CE1 3.42Å; Y209-H290 VanDerWaalsContact CZ-CE1 3.42Å; Y209-H290 AromaticContact CZ-ND1 3.78Å; S240-H290 WeakPolarHBondContact OG-CB 3.3Å; T242-H290 HydrophobicContact CG2-CB 3.86Å; T242-H290 VanDerWaalsContact OG1-CB 3.24Å; T242-H290 WeakPolarHBondContact OG1-CB 3.49Å; H290-H307 PolarHBondContact O-ND1 3.05Å
291	W	93.9	Very high	95.8	Very high	125 Å²	125	61.1 Å²	61.1	47%	0.473	30%	0.302	S	S	.	.	S	Bend	trans	-130	163	179.3	60	90	0	0	0	111.8	Y209 N289 M293	Y209-W291 HydrophobicContact CE2-CH2 4.43Å; Y209-W291 HydrophobicContact CE2-CZ3 4.05Å; N289-W291 PolarHBondContact ND2-N 2.8Å; N289-W291 PolarHBondContact ND2-O 3.17Å; N289-W291 VanDerWaalsContact OD1-CD2 3.31Å; N289-W291 WeakPolarHBondContact OD1-CZ2 3.31Å; N289-W291 PolarHBondContact OD1-NE1 3.46Å; W291-M293 PolarHBondContact O-N 2.91Å
292	K	95.1	Very high	95.6	Very high	74 Å²	74	62.9 Å²	62.9	32%	0.322	30%	0.303	S	S	.	.			trans	-64.6	127.7	173	-177	63.1	166.7	-173.3	0	110.3	H307 Q308 I309 E313	K292-H307 WeakPolarHBondContact CA-O 3.38Å; K292-Q308 HydrophobicContact CB-CB 4.27Å; K292-Q308 HydrophobicContact CD-CB 4.14Å; K292-Q308 WeakPolarHBondContact CD-O 3.33Å; K292-Q308 WeakPolarHBondContact CE-O 3.11Å; K292-Q308 PolarHBondContact NZ-O 2.99Å; K292-I309 HydrophobicContact CD-CD1 4.18Å; K292-I309 VanDerWaalsContact NZ-CD1 3.32Å; K292-E313 IonicContact NZ-OE1 3.26Å; K292-E313 PolarHBondContact NZ-OE1 3.2Å; K292-E313 IonicContact NZ-OE2 2.99Å; K292-E313 PolarHBondContact NZ-OE2 3.41Å
293	M	94.2	Very high	95.5	Very high	24 Å²	24	62.8 Å²	62.8	12%	0.118	30%	0.302	C	S	.	.			trans	-117.7	128.1	174.2	-175.6	172.9	63.4	0	0	109.8	W291 Y295 R299 Y300 V303 V306	W291-M293 PolarHBondContact O-N 2.91Å; M293-Y295 PolarHBondContact O-N 3.24Å; M293-R299 HydrophobicContact CE-CB 3.78Å; M293-R299 HydrophobicContact SD-CB 3.88Å; M293-R299 HydrophobicContact SD-CG 4.45Å; M293-Y300 HydrophobicContact CB-CE2 4.44Å; M293-Y300 HydrophobicContact CE-CD2 3.54Å; M293-Y300 HydrophobicContact CE-CE2 3.54Å; M293-Y300 HydrophobicContact CE-CG 4.32Å; M293-Y300 HydrophobicContact CG-CE2 4.39Å; M293-Y300 PolarHBondContact O-OH 2.84Å; M293-V303 HydrophobicContact CE-CG1 4.33Å; M293-V303 HydrophobicContact CE-CG2 3.83Å; M293-V306 HydrophobicContact CB-CG1 3.81Å; M293-V306 HydrophobicContact CE-CG2 3.77Å
294	A	95	Very high	95.5	Very high	69 Å²	69	56.6 Å²	56.6	57%	0.57	28%	0.279	S	S	*	.			trans	-56	133.9	174.4	0	0	0	0	0	110.9	S296	A294-S296 PolarHBondContact O-N 2.89Å
295	Y	95.6	Very high	95.5	Very high	81 Å²	81	51.9 Å²	51.9	32%	0.318	26%	0.256	S	S	.	.			trans	-64.4	128.7	-176	-178.7	-110.5	0	0	0	111.9	M293 Y300 I317 D320	M293-Y295 PolarHBondContact O-N 3.24Å; Y295-Y300 HydrophobicContact CD2-CD1 4.01Å; Y295-Y300 AromaticContact CD2-CD2 3.7Å; Y295-Y300 HydrophobicContact CD2-CD2 3.7Å; Y295-Y300 HydrophobicContact CD2-CE1 4.09Å; Y295-Y300 AromaticContact CD2-CE2 3.81Å; Y295-Y300 HydrophobicContact CD2-CE2 3.81Å; Y295-Y300 AromaticContact CD2-CG 3.82Å; Y295-Y300 HydrophobicContact CD2-CG 3.82Å; Y295-Y300 AromaticContact CD2-CZ 3.97Å; Y295-Y300 HydrophobicContact CE2-CD1 4.22Å; Y295-Y300 HydrophobicContact CE2-CD2 4.22Å; Y295-Y300 AromaticContact CE2-CG 3.96Å; Y295-Y300 HydrophobicContact CE2-CG 3.96Å; Y295-I317 HydrophobicContact CD2-CB 4.48Å; Y295-I317 HydrophobicContact CD2-CD1 4.33Å; Y295-I317 HydrophobicContact CD2-CG1 3.67Å; Y295-I317 HydrophobicContact CD2-CG2 4.26Å; Y295-I317 HydrophobicContact CE2-CB 4.26Å; Y295-I317 HydrophobicContact CE2-CG1 3.93Å; Y295-I317 HydrophobicContact CE2-CG2 3.85Å; Y295-I317 HydrophobicContact CG-CG1 4.23Å; Y295-D320 WeakPolarHBondContact CE1-OD2 3.18Å; Y295-D320 WeakPolarHBondContact OH-CB 3.36Å; Y295-D320 PolarHBondContact OH-OD2 3.35Å
296	S	94.7	Very high	95.5	Very high	42 Å²	42	50.2 Å²	50.2	29%	0.294	25%	0.247	S	C	.	.			trans	-151.5	140.1	157.8	62.6	0	0	0	0	107.2	A294 C298 R299 Y300	A294-S296 PolarHBondContact O-N 2.89Å; S296-C298 PolarHBondContact O-N 2.77Å; S296-C298 VanDerWaalsContact O-N 3.14Å; S296-R299 PolarHBondContact O-N 3.44Å; S296-R299 VanDerWaalsContact O-N 3.13Å; S296-R299 VanDerWaalsContact OG-CB 3.25Å; S296-R299 WeakPolarHBondContact OG-CB 3.17Å; S296-R299 WeakPolarHBondContact OG-CD 3.47Å; S296-R299 WeakPolarHBondContact OG-CG 3.37Å; S296-R299 PolarHBondContact OG-N 2.79Å; S296-Y300 PolarHBondContact O-N 2.84Å; S296-Y300 VanDerWaalsContact O-N 3.12Å
297	L	94.3	Very high	95.6	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-49.7	-45.3	-177.7	-177.1	64.1	0	0	0	111.7	R301 M321 K324 L327	L297-R301 WeakPolarHBondContact O-CB 3.34Å; L297-R301 VanDerWaalsContact O-CG 3.24Å; L297-R301 WeakPolarHBondContact O-CG 3.45Å; L297-R301 PolarHBondContact O-N 3.38Å; L297-M321 HydrophobicContact CD1-CB 4.49Å; L297-M321 HydrophobicContact CD1-CG 3.94Å; L297-K324 HydrophobicContact CD2-CB 3.86Å; L297-K324 HydrophobicContact CD2-CD 3.97Å; L297-L327 HydrophobicContact CD2-CB 4.49Å; L297-L327 HydrophobicContact CD2-CD1 4.26Å
298	C	94.3	Very high	95.6	Very high	51 Å²	51	51.5 Å²	51.5	35%	0.345	24%	0.24	S	C	.	.	H	α-helix	trans	-73.3	-32.8	-176.5	-63.1	0	0	0	0	114.9	S296 R302 C329	S296-C298 PolarHBondContact O-N 2.77Å; S296-C298 VanDerWaalsContact O-N 3.14Å; C298-R302 WeakPolarHBondContact O-CG 3.26Å; C298-C329 WeakPolarHBondContact CA-SG 3.42Å; C298-C329 HydrophobicContact CB-CB 3.45Å; C298-C329 VanDerWaalsContact CB-CB 3.45Å; C298-C329 WeakPolarHBondContact CB-SG 3.41Å; C298-C329 WeakPolarHBondContact SG-CB 3.34Å; C298-C329 CovalentContact SG-SG 2.04Å; C298-C329 PolarHBondContact SG-SG 3.25Å
299	R	94.8	Very high	95.6	Very high	143 Å²	143	51.6 Å²	51.6	54%	0.54	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-46.1	174	-71.2	179.1	178.9	177.3	-2.4	110.8	M293 S296 R301 R302 V303	M293-R299 HydrophobicContact CE-CB 3.78Å; M293-R299 HydrophobicContact SD-CB 3.88Å; M293-R299 HydrophobicContact SD-CG 4.45Å; S296-R299 PolarHBondContact O-N 3.44Å; S296-R299 VanDerWaalsContact O-N 3.13Å; S296-R299 VanDerWaalsContact OG-CB 3.25Å; S296-R299 WeakPolarHBondContact OG-CB 3.17Å; S296-R299 WeakPolarHBondContact OG-CD 3.47Å; S296-R299 WeakPolarHBondContact OG-CG 3.37Å; S296-R299 PolarHBondContact OG-N 2.79Å; R299-R301 VanDerWaalsContact C-N 3.26Å; R299-R301 PolarHBondContact O-N 3.28Å; R299-R302 PolarHBondContact O-N 3.24Å; R299-V303 PolarHBondContact O-N 2.75Å
300	Y	95.8	Very high	95.7	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-28.7	-178.1	-82.6	-118.9	0	0	0	112.3	F184 N186 M293 Y295 S296 R302 V306 I309 I317	F184-Y300 AromaticContact CD1-CD1 3.99Å; F184-Y300 HydrophobicContact CD1-CD1 3.99Å; F184-Y300 HydrophobicContact CD1-CE1 4.33Å; F184-Y300 HydrophobicContact CE1-CD1 4.23Å; N186-Y300 PolarHBondContact ND2-O 3.08Å; M293-Y300 HydrophobicContact CB-CE2 4.44Å; M293-Y300 HydrophobicContact CE-CD2 3.54Å; M293-Y300 HydrophobicContact CE-CE2 3.54Å; M293-Y300 HydrophobicContact CE-CG 4.32Å; M293-Y300 HydrophobicContact CG-CE2 4.39Å; M293-Y300 PolarHBondContact O-OH 2.84Å; Y295-Y300 HydrophobicContact CD2-CD1 4.01Å; Y295-Y300 AromaticContact CD2-CD2 3.7Å; Y295-Y300 HydrophobicContact CD2-CD2 3.7Å; Y295-Y300 HydrophobicContact CD2-CE1 4.09Å; Y295-Y300 AromaticContact CD2-CE2 3.81Å; Y295-Y300 HydrophobicContact CD2-CE2 3.81Å; Y295-Y300 AromaticContact CD2-CG 3.82Å; Y295-Y300 HydrophobicContact CD2-CG 3.82Å; Y295-Y300 AromaticContact CD2-CZ 3.97Å; Y295-Y300 HydrophobicContact CE2-CD1 4.22Å; Y295-Y300 HydrophobicContact CE2-CD2 4.22Å; Y295-Y300 AromaticContact CE2-CG 3.96Å; Y295-Y300 HydrophobicContact CE2-CG 3.96Å; S296-Y300 PolarHBondContact O-N 2.84Å; S296-Y300 VanDerWaalsContact O-N 3.12Å; Y300-R302 VanDerWaalsContact C-N 3.29Å; Y300-R302 PolarHBondContact O-N 2.89Å; Y300-V306 HydrophobicContact CD1-CG2 3.92Å; Y300-V306 HydrophobicContact CE1-CB 3.9Å; Y300-V306 HydrophobicContact CE1-CG1 4.16Å; Y300-V306 HydrophobicContact CE1-CG2 3.63Å; Y300-V306 HydrophobicContact CE2-CG2 4.28Å; Y300-V306 HydrophobicContact CG-CG2 4.38Å; Y300-V306 WeakPolarHBondContact OH-CG1 3.47Å; Y300-I309 WeakPolarHBondContact OH-CD1 3.3Å; Y300-I317 HydrophobicContact CD1-CD1 4.4Å; Y300-I317 HydrophobicContact CD1-CG2 3.74Å; Y300-I317 HydrophobicContact CE1-CD1 3.64Å; Y300-I317 HydrophobicContact CE1-CG1 4.33Å; Y300-I317 HydrophobicContact CE1-CG2 4.09Å
301	R	94.1	Very high	96	Very high	38 Å²	38	52.5 Å²	52.5	14%	0.143	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	171.7	-78.1	176.5	173.7	-169.3	-4.9	115.6	N189 L297 R299 M321 K324 K325 L327	N189-R301 PolarHBondContact ND2-O 2.86Å; L297-R301 WeakPolarHBondContact O-CB 3.34Å; L297-R301 VanDerWaalsContact O-CG 3.24Å; L297-R301 WeakPolarHBondContact O-CG 3.45Å; L297-R301 PolarHBondContact O-N 3.38Å; R299-R301 VanDerWaalsContact C-N 3.26Å; R299-R301 PolarHBondContact O-N 3.28Å; R301-M321 HydrophobicContact CG-CE 4.16Å; R301-K324 PolarHBondContact NH2-O 3.28Å; R301-K325 VanDerWaalsContact NH2-CA 3.31Å; R301-L327 PolarHBondContact NH1-O 3.47Å
302	R	94.8	Very high	96.1	Very high	179 Å²	179	51.7 Å²	51.7	68%	0.675	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-14	-179.9	-69.8	175.1	-177.3	-169.5	2.4	113.1	C298 R299 Y300 C329	C298-R302 WeakPolarHBondContact O-CG 3.26Å; R299-R302 PolarHBondContact O-N 3.24Å; Y300-R302 VanDerWaalsContact C-N 3.29Å; Y300-R302 PolarHBondContact O-N 2.89Å; R302-C329 PolarHBondContact NH2-O 3.39Å
303	V	96.7	Very high	96.3	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.115	25%	0.247	C	C	.	.			trans	-110.3	162.8	-179.7	-59.9	0	0	0	0	111.5	N186 N189 G287 M293 R299 V306	N186-V303 WeakPolarHBondContact CB-O 3.31Å; N186-V303 PolarHBondContact ND2-O 3Å; N189-V303 PolarHBondContact ND2-O 3.3Å; G287-V303 WeakPolarHBondContact O-CB 3.38Å; M293-V303 HydrophobicContact CE-CG1 4.33Å; M293-V303 HydrophobicContact CE-CG2 3.83Å; R299-V303 PolarHBondContact O-N 2.75Å; V303-V306 HydrophobicContact CG2-CG2 3.62Å
304	I	98.3	Very high	96.5	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-95.9	-45.5	175.8	-63.8	174.6	0	0	0	109.7	V185 N186 N189 L190 L194 G287 F288	V185-I304 CarbonylContact C-O 3.51Å; V185-I304 WeakPolarHBondContact CA-O 3.23Å; N186-I304 PolarHBondContact N-O 3.42Å; N189-I304 HydrophobicContact CB-CG1 3.99Å; L190-I304 HydrophobicContact CB-CG2 4.07Å; L190-I304 HydrophobicContact CD1-CG2 4.33Å; L194-I304 HydrophobicContact CB-CD1 4.03Å; L194-I304 HydrophobicContact CD2-CD1 3.76Å; L194-I304 HydrophobicContact CG-CD1 4.44Å; G287-I304 PolarHBondContact O-N 3.45Å; F288-I304 HydrophobicContact CD2-CD1 4.22Å; F288-I304 HydrophobicContact CE1-CG2 4.34Å; F288-I304 HydrophobicContact CE2-CD1 3.79Å; F288-I304 HydrophobicContact CE2-CG2 4.46Å; F288-I304 HydrophobicContact CZ-CD1 4.4Å; F288-I304 HydrophobicContact CZ-CG2 4.18Å
305	T	98.1	Very high	96.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.2	-178.8	65.4	0	0	0	0	111.3	M177 I183 F184 G287 F288 N289	M177-T305 HydrophobicContact CE-CG2 3.91Å; I183-T305 HydrophobicContact CG2-CG2 4.18Å; F184-T305 CarbonylContact O-C 3.56Å; F184-T305 VanDerWaalsContact O-CA 3.31Å; F184-T305 WeakPolarHBondContact O-CA 3.37Å; G287-T305 PolarHBondContact O-N 2.98Å; F288-T305 WeakPolarHBondContact CA-OG1 3.41Å; F288-T305 HydrophobicContact CD1-CG2 3.73Å; F288-T305 HydrophobicContact CE1-CG2 4.04Å; N289-T305 VanDerWaalsContact CB-O 3.3Å; N289-T305 WeakPolarHBondContact CB-O 3.37Å; N289-T305 PolarHBondContact N-O 3.45Å; N289-T305 PolarHBondContact N-OG1 3.49Å; N289-T305 PolarHBondContact O-OG1 3.28Å
306	V	97.6	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.3	164.9	-171.5	0	0	0	0	108.9	I183 F184 M293 Y300 V303 I309	I183-V306 WeakPolarHBondContact CA-O 3.45Å; F184-V306 PolarHBondContact N-O 3.48Å; F184-V306 PolarHBondContact O-N 3.01Å; M293-V306 HydrophobicContact CB-CG1 3.81Å; M293-V306 HydrophobicContact CE-CG2 3.77Å; Y300-V306 HydrophobicContact CD1-CG2 3.92Å; Y300-V306 HydrophobicContact CE1-CB 3.9Å; Y300-V306 HydrophobicContact CE1-CG1 4.16Å; Y300-V306 HydrophobicContact CE1-CG2 3.63Å; Y300-V306 HydrophobicContact CE2-CG2 4.28Å; Y300-V306 HydrophobicContact CG-CG2 4.38Å; Y300-V306 WeakPolarHBondContact OH-CG1 3.47Å; V303-V306 HydrophobicContact CG2-CG2 3.62Å; V306-I309 HydrophobicContact CB-CD1 4.34Å; V306-I309 HydrophobicContact CB-CG1 4.34Å; V306-I309 HydrophobicContact CG1-CD1 3.91Å; V306-I309 HydrophobicContact CG1-CG1 4.37Å
307	H	97.7	Very high	96.8	Very high	36 Å²	36	51 Å²	51	17%	0.167	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	158.4	-173.9	176.2	-139.5	0	0	0	112.1	D182 I183 T242 H290 K292	D182-H307 CarbonylContact O-C 3.48Å; D182-H307 IonicContact OD1-CD2 3.81Å; D182-H307 IonicContact OD1-NE2 2.6Å; D182-H307 IonicContact OD2-CD2 3.38Å; D182-H307 PolarHBondContact OD2-CD2 3.4Å; D182-H307 VanDerWaalsContact OD2-CD2 3.3Å; D182-H307 IonicContact OD2-NE2 2.64Å; D182-H307 PolarHBondContact OD2-NE2 3.23Å; I183-H307 HydrophobicContact CD1-CB 3.74Å; I183-H307 VanDerWaalsContact CD1-CD2 3.4Å; I183-H307 WeakPolarHBondContact CD1-CD2 3.4Å; T242-H307 HydrophobicContact CG2-CB 4.32Å; H290-H307 PolarHBondContact O-ND1 3.05Å; K292-H307 WeakPolarHBondContact CA-O 3.38Å
308	Q	96.9	Very high	97	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	23%	0.229	S	C	.	.	S	Bend	trans	62.2	47.1	-179.8	-52.8	-177	-49.4	0	0	112.8	D182 K292 P310	D182-Q308 WeakPolarHBondContact O-CA 3.42Å; D182-Q308 PolarHBondContact O-N 3.43Å; K292-Q308 HydrophobicContact CB-CB 4.27Å; K292-Q308 HydrophobicContact CD-CB 4.14Å; K292-Q308 WeakPolarHBondContact CD-O 3.33Å; K292-Q308 WeakPolarHBondContact CE-O 3.11Å; K292-Q308 PolarHBondContact NZ-O 2.99Å; Q308-P310 WeakPolarHBondContact O-CD 3.38Å
309	I	97.8	Very high	97	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	24%	0.238	C	C	.	.			trans	-101.3	108	176.1	-52.9	-53.1	0	0	0	109	D182 F184 K292 Y300 V306 E313 M314 I317	D182-I309 PolarHBondContact O-N 3.13Å; F184-I309 HydrophobicContact CB-CB 4.17Å; F184-I309 HydrophobicContact CB-CG1 3.73Å; F184-I309 HydrophobicContact CB-CG2 4.2Å; K292-I309 HydrophobicContact CD-CD1 4.18Å; K292-I309 VanDerWaalsContact NZ-CD1 3.32Å; Y300-I309 WeakPolarHBondContact OH-CD1 3.3Å; V306-I309 HydrophobicContact CB-CD1 4.34Å; V306-I309 HydrophobicContact CB-CG1 4.34Å; V306-I309 HydrophobicContact CG1-CD1 3.91Å; V306-I309 HydrophobicContact CG1-CG1 4.37Å; I309-E313 HydrophobicContact CG2-CB 4.12Å; I309-E313 HydrophobicContact CG2-CG 4.4Å; I309-M314 HydrophobicContact CG2-CB 3.98Å; I309-I317 HydrophobicContact CD1-CD1 4.28Å; I309-I317 HydrophobicContact CG2-CD1 3.83Å
310	P	97.5	Very high	97.1	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	22%	0.221	S	C	.	.			trans	-72.4	162.1	176.2	32.3	-36.7	0	0	0	111.6	Q308 E312 E313 M314	Q308-P310 WeakPolarHBondContact O-CD 3.38Å; P310-E312 WeakPolarHBondContact CB-OE1 3.26Å; P310-E312 WeakPolarHBondContact CG-OE1 3.49Å; P310-E312 PolarHBondContact O-N 3.35Å; P310-E313 WeakPolarHBondContact CD-OE2 3.45Å; P310-E313 HydrophobicContact CG-CB 3.79Å; P310-E313 PolarHBondContact O-N 3.39Å; P310-E313 VanDerWaalsContact O-N 3.08Å; P310-M314 PolarHBondContact O-N 2.89Å
311	P	98.3	Very high	97.1	Very high	34 Å²	34	49.5 Å²	49.5	22%	0.221	23%	0.225	C	C	.	.	H	α-helix	trans	-50.8	-48.3	-174.8	-29.2	36.8	0	0	0	114	D95 A96 A99 E313 M314 H315	D95-P311 HydrophobicContact CB-CB 4.45Å; D95-P311 HydrophobicContact CB-CG 4.13Å; A96-P311 HydrophobicContact CB-CG 4.22Å; A99-P311 HydrophobicContact CB-CB 3.75Å; P311-E313 VanDerWaalsContact C-N 3.32Å; P311-E313 PolarHBondContact O-N 3.29Å; P311-M314 VanDerWaalsContact O-CB 3.28Å; P311-M314 WeakPolarHBondContact O-CB 3.33Å; P311-M314 PolarHBondContact O-N 3.39Å; P311-M314 VanDerWaalsContact O-N 3.16Å; P311-H315 PolarHBondContact O-CD2 3.17Å; P311-H315 PolarHBondContact O-N 3.24Å; P311-H315 VanDerWaalsContact O-N 3.16Å
312	E	97.8	Very high	97	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-65.8	-34.2	-178.2	70.2	-73	172.1	0	0	113.1	P310 R316	P310-E312 WeakPolarHBondContact CB-OE1 3.26Å; P310-E312 WeakPolarHBondContact CG-OE1 3.49Å; P310-E312 PolarHBondContact O-N 3.35Å; E312-R316 WeakPolarHBondContact O-CG 3.34Å; E312-R316 PolarHBondContact O-N 3.3Å
313	E	97.8	Very high	97	Very high	43 Å²	43	44.8 Å²	44.8	20%	0.201	23%	0.226	C	C	.	.	H	α-helix	trans	-73.7	-36.9	175.6	-163.8	-176.5	148	0	0	110.4	K292 I309 P310 P311 H315 R316 I317	K292-E313 IonicContact NZ-OE1 3.26Å; K292-E313 PolarHBondContact NZ-OE1 3.2Å; K292-E313 IonicContact NZ-OE2 2.99Å; K292-E313 PolarHBondContact NZ-OE2 3.41Å; I309-E313 HydrophobicContact CG2-CB 4.12Å; I309-E313 HydrophobicContact CG2-CG 4.4Å; P310-E313 WeakPolarHBondContact CD-OE2 3.45Å; P310-E313 HydrophobicContact CG-CB 3.79Å; P310-E313 PolarHBondContact O-N 3.39Å; P310-E313 VanDerWaalsContact O-N 3.08Å; P311-E313 VanDerWaalsContact C-N 3.32Å; P311-E313 PolarHBondContact O-N 3.29Å; E313-H315 PolarHBondContact O-N 3.32Å; E313-R316 PolarHBondContact O-N 3.49Å; E313-I317 HydrophobicContact CG-CD1 3.71Å; E313-I317 HydrophobicContact CG-CG1 4.23Å; E313-I317 WeakPolarHBondContact O-CB 3.36Å; E313-I317 WeakPolarHBondContact O-CD1 3.28Å; E313-I317 WeakPolarHBondContact O-CG1 3.41Å; E313-I317 PolarHBondContact O-N 3.48Å
314	M	98.1	Very high	96.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-48.7	176.6	-165.2	177.7	-69.2	0	0	111.5	A99 I100 W104 F184 I309 P310 P311 I317 W318	A99-M314 HydrophobicContact CB-SD 4.1Å; I100-M314 HydrophobicContact CB-SD 4.46Å; I100-M314 HydrophobicContact CD1-CE 4.47Å; I100-M314 HydrophobicContact CG1-CE 3.88Å; I100-M314 HydrophobicContact CG1-SD 3.59Å; I100-M314 VanDerWaalsContact CG1-SD 3.59Å; W104-M314 PolarHBondContact NE1-SD 2.96Å; F184-M314 HydrophobicContact CD2-CG 4.12Å; I309-M314 HydrophobicContact CG2-CB 3.98Å; P310-M314 PolarHBondContact O-N 2.89Å; P311-M314 VanDerWaalsContact O-CB 3.28Å; P311-M314 WeakPolarHBondContact O-CB 3.33Å; P311-M314 PolarHBondContact O-N 3.39Å; P311-M314 VanDerWaalsContact O-N 3.16Å; M314-I317 PolarHBondContact O-N 2.96Å; M314-W318 VanDerWaalsContact O-CB 3.3Å; M314-W318 WeakPolarHBondContact O-CB 3.5Å; M314-W318 PolarHBondContact O-N 2.95Å
315	H	98.3	Very high	96.3	Very high	51 Å²	51	52.7 Å²	52.7	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-44.9	175.2	-69.1	-71.5	0	0	0	112.7	A99 E102 T103 P311 E313 I317 W318 N319	A99-H315 WeakPolarHBondContact CA-NE2 3.25Å; A99-H315 WeakPolarHBondContact CB-NE2 3.37Å; E102-H315 IonicContact OE2-CE1 3.88Å; E102-H315 PolarHBondContact OE2-CE1 3.47Å; E102-H315 IonicContact OE2-ND1 2.74Å; E102-H315 IonicContact OE2-NE2 3.23Å; T103-H315 WeakPolarHBondContact CG2-ND1 3.41Å; P311-H315 PolarHBondContact O-CD2 3.17Å; P311-H315 PolarHBondContact O-N 3.24Å; P311-H315 VanDerWaalsContact O-N 3.16Å; E313-H315 PolarHBondContact O-N 3.32Å; H315-I317 PolarHBondContact O-N 3.01Å; H315-W318 PolarHBondContact O-N 3.24Å; H315-N319 VanDerWaalsContact O-CB 3.3Å; H315-N319 WeakPolarHBondContact O-CB 3.44Å; H315-N319 PolarHBondContact O-N 3.31Å; H315-N319 PolarHBondContact O-ND2 3.27Å
316	R	97.6	Very high	95.9	Very high	180 Å²	180	59.7 Å²	59.7	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-46.9	179.4	-71.7	175.3	-169.1	171	5.5	111.3	E312 E313 D320	E312-R316 WeakPolarHBondContact O-CG 3.34Å; E312-R316 PolarHBondContact O-N 3.3Å; E313-R316 PolarHBondContact O-N 3.49Å; R316-D320 VanDerWaalsContact O-CB 3.27Å; R316-D320 WeakPolarHBondContact O-CB 3.31Å; R316-D320 PolarHBondContact O-N 3.48Å
317	I	97.3	Very high	95.5	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-49.9	177.9	-67.7	163.3	0	0	0	109.8	F184 Y295 Y300 I309 E313 M314 H315 N319 D320 M321	F184-I317 HydrophobicContact CD1-CG2 4.15Å; F184-I317 HydrophobicContact CD2-CB 4.35Å; F184-I317 HydrophobicContact CD2-CG2 3.87Å; F184-I317 HydrophobicContact CE1-CG2 3.83Å; F184-I317 HydrophobicContact CE2-CB 4.17Å; F184-I317 HydrophobicContact CE2-CG2 3.53Å; F184-I317 HydrophobicContact CG-CG2 4.18Å; F184-I317 HydrophobicContact CZ-CG2 3.51Å; Y295-I317 HydrophobicContact CD2-CB 4.48Å; Y295-I317 HydrophobicContact CD2-CD1 4.33Å; Y295-I317 HydrophobicContact CD2-CG1 3.67Å; Y295-I317 HydrophobicContact CD2-CG2 4.26Å; Y295-I317 HydrophobicContact CE2-CB 4.26Å; Y295-I317 HydrophobicContact CE2-CG1 3.93Å; Y295-I317 HydrophobicContact CE2-CG2 3.85Å; Y295-I317 HydrophobicContact CG-CG1 4.23Å; Y300-I317 HydrophobicContact CD1-CD1 4.4Å; Y300-I317 HydrophobicContact CD1-CG2 3.74Å; Y300-I317 HydrophobicContact CE1-CD1 3.64Å; Y300-I317 HydrophobicContact CE1-CG1 4.33Å; Y300-I317 HydrophobicContact CE1-CG2 4.09Å; I309-I317 HydrophobicContact CD1-CD1 4.28Å; I309-I317 HydrophobicContact CG2-CD1 3.83Å; E313-I317 HydrophobicContact CG-CD1 3.71Å; E313-I317 HydrophobicContact CG-CG1 4.23Å; E313-I317 WeakPolarHBondContact O-CB 3.36Å; E313-I317 WeakPolarHBondContact O-CD1 3.28Å; E313-I317 WeakPolarHBondContact O-CG1 3.41Å; E313-I317 PolarHBondContact O-N 3.48Å; M314-I317 PolarHBondContact O-N 2.96Å; H315-I317 PolarHBondContact O-N 3.01Å; I317-N319 PolarHBondContact O-N 3.37Å; I317-D320 PolarHBondContact O-N 2.94Å; I317-M321 HydrophobicContact CG2-CG 4.26Å; I317-M321 HydrophobicContact CG2-SD 3.77Å; I317-M321 WeakPolarHBondContact O-CB 3.38Å; I317-M321 VanDerWaalsContact O-CG 3.29Å; I317-M321 WeakPolarHBondContact O-CG 3.47Å; I317-M321 PolarHBondContact O-N 3.45Å
318	W	96.9	Very high	94.9	Very high	34 Å²	34	73.1 Å²	73.1	13%	0.129	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-49.9	-178.9	-177.8	-109.9	0	0	0	112	T103 W104 T109 F184 M314 H315 D320 M321 S322	T103-W318 HydrophobicContact CG2-CB 3.66Å; T103-W318 HydrophobicContact CG2-CG 3.76Å; T103-W318 WeakPolarHBondContact O-CZ2 3.46Å; W104-W318 HydrophobicContact CB-CE3 4Å; W104-W318 HydrophobicContact CB-CH2 4.41Å; W104-W318 HydrophobicContact CB-CZ3 3.76Å; T109-W318 HydrophobicContact CG2-CH2 4.32Å; T109-W318 HydrophobicContact CG2-CZ2 4.2Å; F184-W318 HydrophobicContact CE2-CB 4.32Å; F184-W318 HydrophobicContact CE2-CE3 4.12Å; F184-W318 HydrophobicContact CZ-CE3 4.17Å; M314-W318 VanDerWaalsContact O-CB 3.3Å; M314-W318 WeakPolarHBondContact O-CB 3.5Å; M314-W318 PolarHBondContact O-N 2.95Å; H315-W318 PolarHBondContact O-N 3.24Å; W318-D320 PolarHBondContact O-N 3.26Å; W318-M321 PolarHBondContact O-N 3.46Å; W318-S322 VanDerWaalsContact O-CB 3.23Å; W318-S322 WeakPolarHBondContact O-CB 2.97Å; W318-S322 PolarHBondContact O-N 3.44Å; W318-S322 PolarHBondContact O-OG 3.17Å; W318-S322 VanDerWaalsContact O-OG 3.06Å
319	N	96.2	Very high	94.4	Very high	98 Å²	98	71.8 Å²	71.8	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-41.2	180	-69.9	-20.5	0	0	0	111.9	H315 I317 S323	H315-N319 VanDerWaalsContact O-CB 3.3Å; H315-N319 WeakPolarHBondContact O-CB 3.44Å; H315-N319 PolarHBondContact O-N 3.31Å; H315-N319 PolarHBondContact O-ND2 3.27Å; I317-N319 PolarHBondContact O-N 3.37Å; N319-S323 VanDerWaalsContact O-CB 3.28Å; N319-S323 WeakPolarHBondContact O-CB 3.47Å; N319-S323 PolarHBondContact O-N 3.43Å; N319-S323 PolarHBondContact O-OG 3.04Å
320	D	96.2	Very high	94.2	Very high	36 Å²	36	75.3 Å²	75.3	19%	0.193	36%	0.364	C	S	.	.	H	α-helix	trans	-67.6	-43.5	177.6	-165.6	57.5	0	0	0	111.7	Y295 R316 I317 W318 S323 K324	Y295-D320 WeakPolarHBondContact CE1-OD2 3.18Å; Y295-D320 WeakPolarHBondContact OH-CB 3.36Å; Y295-D320 PolarHBondContact OH-OD2 3.35Å; R316-D320 VanDerWaalsContact O-CB 3.27Å; R316-D320 WeakPolarHBondContact O-CB 3.31Å; R316-D320 PolarHBondContact O-N 3.48Å; I317-D320 PolarHBondContact O-N 2.94Å; W318-D320 PolarHBondContact O-N 3.26Å; D320-S323 PolarHBondContact O-OG 3Å; D320-K324 VanDerWaalsContact O-CB 3.29Å; D320-K324 WeakPolarHBondContact O-CB 3.37Å; D320-K324 PolarHBondContact O-N 3.47Å; D320-K324 VanDerWaalsContact O-N 3.15Å; D320-K324 WeakPolarHBondContact OD1-CD 3.49Å; D320-K324 WeakPolarHBondContact OD1-CE 3.38Å; D320-K324 IonicContact OD1-NZ 3.7Å; D320-K324 PolarHBondContact OD1-NZ 3.39Å; D320-K324 IonicContact OD2-NZ 2.85Å
321	M	94.8	Very high	94	Very high	19 Å²	19	77 Å²	77	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177.1	-75.1	-173	63.1	0	0	112.5	F184 N186 L297 R301 I317 W318 K325	F184-M321 HydrophobicContact CE1-CE 4.33Å; F184-M321 HydrophobicContact CE1-SD 3.61Å; F184-M321 HydrophobicContact CZ-CE 4.48Å; F184-M321 HydrophobicContact CZ-SD 3.59Å; F184-M321 VanDerWaalsContact CZ-SD 3.59Å; N186-M321 HydrophobicContact CB-CE 4.46Å; N186-M321 WeakPolarHBondContact ND2-CE 3.48Å; L297-M321 HydrophobicContact CD1-CB 4.49Å; L297-M321 HydrophobicContact CD1-CG 3.94Å; R301-M321 HydrophobicContact CG-CE 4.16Å; I317-M321 HydrophobicContact CG2-CG 4.26Å; I317-M321 HydrophobicContact CG2-SD 3.77Å; I317-M321 WeakPolarHBondContact O-CB 3.38Å; I317-M321 VanDerWaalsContact O-CG 3.29Å; I317-M321 WeakPolarHBondContact O-CG 3.47Å; I317-M321 PolarHBondContact O-N 3.45Å; W318-M321 PolarHBondContact O-N 3.46Å; M321-K325 WeakPolarHBondContact O-CG 3.43Å; M321-K325 PolarHBondContact O-N 3.36Å
322	S	92.6	Very high	93.8	Very high	41 Å²	41	79.4 Å²	79.4	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-70.8	-46.4	-179.7	-70.2	0	0	0	0	112.6	W318 K324 K325	W318-S322 VanDerWaalsContact O-CB 3.23Å; W318-S322 WeakPolarHBondContact O-CB 2.97Å; W318-S322 PolarHBondContact O-N 3.44Å; W318-S322 PolarHBondContact O-OG 3.17Å; W318-S322 VanDerWaalsContact O-OG 3.06Å; S322-K324 VanDerWaalsContact C-N 3.32Å; S322-K324 PolarHBondContact O-N 3.27Å; S322-K325 WeakPolarHBondContact O-CG 3.33Å
323	S	94.2	Very high	93.6	Very high	77 Å²	77	77.8 Å²	77.8	54%	0.538	37%	0.369	S	S	.	.	H	α-helix	trans	-67.5	-31.5	179.3	59.4	0	0	0	0	113	N319 D320	N319-S323 VanDerWaalsContact O-CB 3.28Å; N319-S323 WeakPolarHBondContact O-CB 3.47Å; N319-S323 PolarHBondContact O-N 3.43Å; N319-S323 PolarHBondContact O-OG 3.04Å; D320-S323 PolarHBondContact O-OG 3Å
324	K	93.7	Very high	93.3	Very high	77 Å²	77	79.9 Å²	79.9	34%	0.335	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	14.4	-175.8	-67	175.7	179.9	165.1	0	114.2	L297 R301 D320 S322 H326 L327	L297-K324 HydrophobicContact CD2-CB 3.86Å; L297-K324 HydrophobicContact CD2-CD 3.97Å; R301-K324 PolarHBondContact NH2-O 3.28Å; D320-K324 VanDerWaalsContact O-CB 3.29Å; D320-K324 WeakPolarHBondContact O-CB 3.37Å; D320-K324 PolarHBondContact O-N 3.47Å; D320-K324 VanDerWaalsContact O-N 3.15Å; D320-K324 WeakPolarHBondContact OD1-CD 3.49Å; D320-K324 WeakPolarHBondContact OD1-CE 3.38Å; D320-K324 IonicContact OD1-NZ 3.7Å; D320-K324 PolarHBondContact OD1-NZ 3.39Å; D320-K324 IonicContact OD2-NZ 2.85Å; S322-K324 VanDerWaalsContact C-N 3.32Å; S322-K324 PolarHBondContact O-N 3.27Å; K324-H326 PolarHBondContact O-N 3.37Å; K324-L327 HydrophobicContact CB-CD1 3.9Å; K324-L327 HydrophobicContact CB-CG 4.25Å; K324-L327 HydrophobicContact CD-CD1 3.98Å; K324-L327 HydrophobicContact CG-CD1 3.97Å; K324-L327 WeakPolarHBondContact O-CB 3.39Å; K324-L327 PolarHBondContact O-N 3.47Å
325	K	88	Confident	93	Very high	120 Å²	120	85.2 Å²	85.2	52%	0.522	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-32.4	-177.2	-80.7	-175.1	-179	-168.6	0	114.3	D188 R301 M321 S322 L327	D188-K325 IonicContact OD2-NZ 3.54Å; R301-K325 VanDerWaalsContact NH2-CA 3.31Å; M321-K325 WeakPolarHBondContact O-CG 3.43Å; M321-K325 PolarHBondContact O-N 3.36Å; S322-K325 WeakPolarHBondContact O-CG 3.33Å; K325-L327 PolarHBondContact O-N 3.47Å
326	H	88.6	Confident	92.6	Very high	147 Å²	147	87.6 Å²	87.6	68%	0.681	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.4	178.2	64.1	-84.6	0	0	0	115.2	K324	K324-H326 PolarHBondContact O-N 3.37Å
327	L	89	Confident	92.2	Very high	78 Å²	78	80.5 Å²	80.5	41%	0.408	40%	0.397	S	S	.	.	S	Bend	trans	-73	153.5	179.6	-61.4	-177.4	0	0	0	111.4	L297 R301 K324 K325	L297-L327 HydrophobicContact CD2-CB 4.49Å; L297-L327 HydrophobicContact CD2-CD1 4.26Å; R301-L327 PolarHBondContact NH1-O 3.47Å; K324-L327 HydrophobicContact CB-CD1 3.9Å; K324-L327 HydrophobicContact CB-CG 4.25Å; K324-L327 HydrophobicContact CD-CD1 3.98Å; K324-L327 HydrophobicContact CG-CD1 3.97Å; K324-L327 WeakPolarHBondContact O-CB 3.39Å; K324-L327 PolarHBondContact O-N 3.47Å; K325-L327 PolarHBondContact O-N 3.47Å
328	R	85.8	Confident	91.8	Very high	239 Å²	239	87.1 Å²	87.1	90%	0.902	43%	0.429	S	S	*	.			trans	-106.5	154	176.5	-67.3	-173.1	-178.4	-175.1	1.4	112.5
329	C	85.4	Confident	91.3	Very high	79 Å²	79	91.9 Å²	91.9	53%	0.534	46%	0.456	S	S	.	.			trans	-142.2	0	176	-67.5	0	0	0	0	107.7	C298 R302	C298-C329 WeakPolarHBondContact CA-SG 3.42Å; C298-C329 HydrophobicContact CB-CB 3.45Å; C298-C329 VanDerWaalsContact CB-CB 3.45Å; C298-C329 WeakPolarHBondContact CB-SG 3.41Å; C298-C329 WeakPolarHBondContact SG-CB 3.34Å; C298-C329 CovalentContact SG-SG 2.04Å; C298-C329 PolarHBondContact SG-SG 3.25Å; R302-C329 PolarHBondContact NH2-O 3.39Å

Retrieved 329 of 329 residues in 170.2 ms (Link to these results)

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