A0A096NIP5_PAPAN Loading...

S-adenosylmethionine-dependent nucleotide dehydratase RSAD2

AlphaFold DB , UniProt , Accession A0A096NIP5, Species PAPAN (Papio anubis, Olive baboon), Gene RSAD2, Length 360 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.6	Very low	42.7	Very low	225 Å²	225	130.7 Å²	130.7	100%	1.108	76%	0.761	S	S	*	*				0	108.1	0	-166.2	-178.5	-71.3	0	0	106.6
2	W	32.1	Very low	43.3	Very low	236 Å²	236	134.1 Å²	134.1	89%	0.894	76%	0.76	S	S	*	*			trans	64.8	142.1	161.3	-66.2	54.4	0	0	0	118.6
3	V	33.3	Very low	43.6	Very low	104 Å²	104	132 Å²	132	63%	0.63	75%	0.745	S	S	*	*			cis	172.9	134.2	-25	135.4	0	0	0	0	103.8
4	L	37.3	Very low	44.1	Very low	153 Å²	153	132.6 Å²	132.6	80%	0.801	74%	0.744	S	S	*	*			trans	59.9	129.5	152.4	-65.3	165.8	0	0	0	122.3
5	T	43.2	Very low	44.6	Very low	117 Å²	117	129.3 Å²	129.3	72%	0.718	73%	0.733	S	S	*	*			trans	-33.3	158.2	155.3	45.2	0	0	0	0	116.6
6	P	45	Very low	45.3	Very low	113 Å²	113	127.8 Å²	127.8	73%	0.734	73%	0.727	S	S	*	*				-132.9	109.2	125.6	17.9	2.8	0	0	0	113.5	A8	P6-A8 HydrophobicContact CB-CB 4.06Å; P6-A8 PolarHBondContact O-N 2.97Å
7	A	49.3	Very low	45.6	Very low	103 Å²	103	128.7 Å²	128.7	85%	0.851	72%	0.721	S	S	*	*			trans	-66.2	45.7	156.1	0	0	0	0	0	112.1
8	A	50.9	Low	45.8	Very low	71 Å²	71	133.3 Å²	133.3	59%	0.587	73%	0.725	S	S	*	*			trans	-117.4	6.8	-175.1	0	0	0	0	0	113.8	P6	P6-A8 HydrophobicContact CB-CB 4.06Å; P6-A8 PolarHBondContact O-N 2.97Å
9	F	46.7	Very low	46.1	Very low	177 Å²	177	135.2 Å²	135.2	78%	0.776	73%	0.729	S	S	*	*	S	Bend	trans	-103.4	-17.6	177.1	-134	-95.9	0	0	0	114.2
10	A	48.5	Very low	46.4	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	72%	0.715	S	S	*	*	S	Bend	trans	-82.7	-20.2	178.5	0	0	0	0	0	113.9
11	G	50.3	Low	46.6	Very low	62 Å²	62	131.3 Å²	131.3	64%	0.639	71%	0.711	S	S	*	*	S	Bend	trans	-83.7	-16.6	-177.9	0	0	0	0	0	115.7
12	K	50	Low	47.5	Very low	171 Å²	171	124.3 Å²	124.3	74%	0.743	68%	0.684	S	S	*	*	S	Bend	trans	-99.7	-9.5	-178.4	-86.2	-177.5	175.7	178.6	0	115
13	L	47.6	Very low	48.6	Very low	107 Å²	107	117 Å²	117	56%	0.56	67%	0.669	S	S	*	*	S	Bend	trans	-86.7	-16.6	173.3	-99.3	151.5	0	0	0	113.3
14	L	50	Low	49.5	Very low	141 Å²	141	117 Å²	117	74%	0.738	67%	0.665	S	S	*	*	S	Bend	trans	-88.6	-8.6	179.3	-80.4	161.6	0	0	0	114.6
15	S	52.5	Low	50.2	Low	82 Å²	82	119.1 Å²	119.1	57%	0.573	66%	0.662	S	S	*	*	S	Bend	trans	-94.9	-12.3	176.1	64.1	0	0	0	0	114.3
16	V	55.4	Low	50.8	Low	105 Å²	105	124.1 Å²	124.1	64%	0.636	67%	0.668	S	S	*	*	S	Bend	trans	-88.4	-17.6	179.9	179.3	0	0	0	0	112.6
17	F	50.5	Low	51.3	Low	144 Å²	144	122.4 Å²	122.4	63%	0.632	66%	0.659	S	S	*	*	S	Bend	trans	-100	3.8	176.8	-75	-78.1	0	0	0	114.9	P20	F17-P20 WeakPolarHBondContact O-CD 3.18Å
18	R	49.8	Very low	51.5	Low	211 Å²	211	121.9 Å²	121.9	80%	0.796	64%	0.641	S	S	*	*	S	Bend	trans	-88.8	-11.6	-177.9	-132.8	178.7	-175.6	-172.8	2	114.8
19	Q	51.1	Low	51.6	Low	170 Å²	170	125.5 Å²	125.5	79%	0.794	64%	0.644	S	S	*	*	S	Bend	trans	-96.3	-22	177.5	-75.8	-169.6	-24.3	0	0	116.4
20	P	52	Low	51.9	Low	68 Å²	68	121 Å²	121	44%	0.442	63%	0.633	S	S	.	*	S	Bend	trans	-79.9	-21.9	174.6	-13.4	29.5	0	0	0	114.2	F17	F17-P20 WeakPolarHBondContact O-CD 3.18Å
21	L	51.3	Low	52.2	Low	121 Å²	121	122.7 Å²	122.7	63%	0.634	63%	0.63	S	S	*	*	H	α-helix	trans	-79.6	-19.9	-173.7	-88.1	154.5	0	0	0	114.6
22	S	51.5	Low	52.3	Low	78 Å²	78	127 Å²	127	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-83.7	-14	174.7	55.1	0	0	0	0	113.9
23	S	54.1	Low	52.4	Low	83 Å²	83	122.6 Å²	122.6	58%	0.58	62%	0.621	S	S	*	*	H	α-helix	trans	-85.1	-37.3	177.7	171.9	0	0	0	0	112	W25 R26	S23-W25 VanDerWaalsContact C-N 3.32Å; S23-W25 PolarHBondContact O-N 3.18Å; S23-R26 PolarHBondContact O-N 3.09Å
24	L	53.2	Low	52.5	Low	104 Å²	104	127.3 Å²	127.3	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-68.7	-24.9	177.1	-104.9	129.9	0	0	0	114.1	S27 L28	L24-S27 PolarHBondContact O-OG 2.75Å; L24-L28 HydrophobicContact CD2-CD1 4.42Å
25	W	52.1	Low	52.5	Low	196 Å²	196	125.8 Å²	125.8	74%	0.742	62%	0.624	S	S	*	*	H	α-helix	trans	-79.5	-19.4	176	-94.7	46.9	0	0	0	114	S23	S23-W25 VanDerWaalsContact C-N 3.32Å; S23-W25 PolarHBondContact O-N 3.18Å
26	R	54.2	Low	52.4	Low	222 Å²	222	131 Å²	131	84%	0.838	63%	0.631	S	S	*	*	H	α-helix	trans	-82.7	-15.2	176.9	-73.3	-173.8	177.3	-168.4	-0.5	113.6	S23	S23-R26 PolarHBondContact O-N 3.09Å
27	S	56.3	Low	52.2	Low	78 Å²	78	128.4 Å²	128.4	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-99.4	-16.7	176.5	51.3	0	0	0	0	114.5	L24	L24-S27 PolarHBondContact O-OG 2.75Å
28	L	54.1	Low	52	Low	91 Å²	91	125.2 Å²	125.2	48%	0.476	61%	0.613	S	S	.	*	H	α-helix	trans	-96.4	-15.6	-179.2	-74.5	167.5	0	0	0	114.7	L24 F32	L24-L28 HydrophobicContact CD2-CD1 4.42Å; L28-F32 PolarHBondContact O-N 3.34Å
29	F	52.7	Low	51.7	Low	148 Å²	148	125.4 Å²	125.4	65%	0.649	61%	0.614	S	S	*	*	H	α-helix	trans	-68.5	-38.1	179.5	-147	-97.1	0	0	0	114.4	L31 C33	F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.16Å; F29-C33 PolarHBondContact O-N 3.04Å
30	P	52.3	Low	51.3	Low	83 Å²	83	123 Å²	123	54%	0.539	61%	0.606	S	S	.	*	H	α-helix	trans	-68.3	-30.7	176.9	-17.9	31	0	0	0	113.3	W34	P30-W34 PolarHBondContact O-N 2.99Å
31	L	54.7	Low	50.9	Low	111 Å²	111	126.6 Å²	126.6	58%	0.581	62%	0.62	S	S	*	*	H	α-helix	trans	-70.7	-37.1	-178.5	-144	91.5	0	0	0	111.8	F29 W34 L35	F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.16Å; L31-W34 PolarHBondContact O-N 3.18Å; L31-L35 PolarHBondContact O-N 3.04Å
32	F	53.1	Low	50.5	Low	154 Å²	154	124.4 Å²	124.4	68%	0.675	62%	0.62	S	S	*	*	H	α-helix	trans	-71.8	-32.5	179.3	-120.3	-89.4	0	0	0	113	L28 R36	L28-F32 PolarHBondContact O-N 3.34Å; F32-R36 PolarHBondContact O-N 3.11Å
33	C	51.1	Low	49.8	Very low	78 Å²	78	125.2 Å²	125.2	53%	0.527	63%	0.625	S	S	.	*	H	α-helix	trans	-71.5	-34.2	175.3	-70	0	0	0	0	112.4	F29 A37	F29-C33 PolarHBondContact O-N 3.04Å; C33-A37 PolarHBondContact O-N 3.3Å
34	W	51.3	Low	49.2	Very low	205 Å²	205	130.3 Å²	130.3	78%	0.777	64%	0.637	S	S	*	*	H	α-helix	trans	-70.3	-41.8	176.2	-129.8	64.3	0	0	0	112.2	P30 L31 R36 A37 T38	P30-W34 PolarHBondContact O-N 2.99Å; L31-W34 PolarHBondContact O-N 3.18Å; W34-R36 VanDerWaalsContact C-N 3.34Å; W34-R36 PolarHBondContact O-N 3.48Å; W34-A37 PolarHBondContact O-N 2.97Å; W34-T38 PolarHBondContact O-N 2.96Å; W34-T38 PolarHBondContact O-OG1 2.97Å
35	L	50	Low	48.7	Very low	109 Å²	109	136.3 Å²	136.3	57%	0.571	65%	0.653	S	S	*	*	H	α-helix	trans	-66	-30.5	177	-80.4	159.7	0	0	0	113.5	L31 T38 W39	L31-L35 PolarHBondContact O-N 3.04Å; L35-T38 PolarHBondContact O-OG1 3.39Å; L35-W39 PolarHBondContact O-N 2.94Å
36	R	50.5	Low	47.8	Very low	192 Å²	192	133.2 Å²	133.2	73%	0.725	66%	0.655	S	S	*	*	H	α-helix	trans	-73.8	-33.3	173.7	-100.1	-176.8	167.1	-173.8	-3.4	113.2	F32 W34 L40	F32-R36 PolarHBondContact O-N 3.11Å; W34-R36 VanDerWaalsContact C-N 3.34Å; W34-R36 PolarHBondContact O-N 3.48Å; R36-L40 PolarHBondContact O-N 3.34Å
37	A	49.5	Very low	47	Very low	50 Å²	50	132.9 Å²	132.9	41%	0.413	66%	0.66	S	S	.	*	H	α-helix	trans	-71.4	-34.6	179.9	0	0	0	0	0	112.5	C33 W34 L41	C33-A37 PolarHBondContact O-N 3.3Å; W34-A37 PolarHBondContact O-N 2.97Å; A37-L41 PolarHBondContact O-N 3.42Å
38	T	48.1	Very low	45.9	Very low	78 Å²	78	137.6 Å²	137.6	48%	0.479	67%	0.673	S	S	.	*	H	α-helix	trans	-74	-32.3	176.8	53.9	0	0	0	0	112.7	W34 L35 A42	W34-T38 PolarHBondContact O-N 2.96Å; W34-T38 PolarHBondContact O-OG1 2.97Å; L35-T38 PolarHBondContact O-OG1 3.39Å; T38-A42 PolarHBondContact O-N 3.19Å
39	W	42.1	Very low	44.9	Very low	214 Å²	214	142.5 Å²	142.5	81%	0.811	69%	0.694	S	S	*	*	H	α-helix	trans	-70.2	-36.3	175.6	-136.6	62.1	0	0	0	112.8	L35 S43	L35-W39 PolarHBondContact O-N 2.94Å; W39-S43 PolarHBondContact O-N 2.91Å
40	L	42.9	Very low	43.9	Very low	120 Å²	120	143 Å²	143	63%	0.628	70%	0.703	S	S	*	*	H	α-helix	trans	-74	-23.1	177.8	-76.5	164	0	0	0	113.9	R36	R36-L40 PolarHBondContact O-N 3.34Å
41	L	43.9	Very low	42.8	Very low	143 Å²	143	145.2 Å²	145.2	75%	0.749	71%	0.714	S	S	*	*	H	α-helix	trans	-84.9	-28.5	174.4	-81.1	158.4	0	0	0	112.9	A37	A37-L41 PolarHBondContact O-N 3.42Å
42	A	42.2	Very low	41.2	Very low	75 Å²	75	151.7 Å²	151.7	62%	0.62	73%	0.731	S	S	*	*	H	α-helix	trans	-74.5	-29.4	173.5	0	0	0	0	0	113	T38 K44	T38-A42 PolarHBondContact O-N 3.19Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 2.91Å
43	S	38.5	Very low	40.1	Very low	95 Å²	95	155.6 Å²	155.6	66%	0.664	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-12.7	-178.4	162.4	0	0	0	0	115	W39	W39-S43 PolarHBondContact O-N 2.91Å
44	K	40.1	Very low	39.3	Very low	191 Å²	191	160.5 Å²	160.5	83%	0.83	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	8.8	-176.1	-84.6	-173.7	177.8	179.6	0	115.6	A42	A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 2.91Å
45	R	42.6	Very low	38.4	Very low	230 Å²	230	156.9 Å²	156.9	87%	0.868	76%	0.759	S	S	*	*	S	Bend	trans	-129.6	45.3	-175.4	-125.1	-177.9	-169.1	-173.9	3.1	115.1
46	T	34.5	Very low	37.6	Very low	130 Å²	130	158.8 Å²	158.8	80%	0.798	77%	0.77	S	S	*	*			trans	-156.4	79.9	153.6	-26.4	0	0	0	0	110.4
47	K	36	Very low	37.2	Very low	216 Å²	216	157.4 Å²	157.4	94%	0.939	77%	0.772	S	S	*	*			trans	-94.8	97.4	156.7	-97.3	-175	175.1	-177.7	0	106.8
48	Q	34.2	Very low	36.6	Very low	176 Å²	176	161 Å²	161	82%	0.822	79%	0.789	S	S	*	*			trans	-140.2	132.3	155	-113.4	171.3	-4.1	0	0	107.2	L50	Q48-L50 PolarHBondContact O-N 3.09Å
49	Q	33.7	Very low	35.9	Very low	194 Å²	194	166.9 Å²	166.9	91%	0.907	81%	0.808	S	S	*	*			trans	-56.6	120.5	-164.7	-71.2	156.5	-57	0	0	112.6
50	L	30.3	Very low	35.7	Very low	159 Å²	159	164.5 Å²	164.5	83%	0.832	81%	0.806	S	S	*	*			trans	-103.6	109.8	157.5	-109.3	128.4	0	0	0	107	Q48 W52	Q48-L50 PolarHBondContact O-N 3.09Å; L50-W52 PolarHBondContact O-N 3.2Å
51	V	29.2	Very low	35.5	Very low	129 Å²	129	167.4 Å²	167.4	78%	0.782	82%	0.816	S	S	*	*			trans	-66.4	119.4	168.9	172.9	0	0	0	0	107.1	R53	V51-R53 PolarHBondContact O-N 2.95Å
52	W	22.3	Very low	35.2	Very low	248 Å²	248	169.7 Å²	169.7	94%	0.939	82%	0.823	S	S	*	*			trans	-71.9	109.6	171.1	-71.9	88.8	0	0	0	108.7	L50	L50-W52 PolarHBondContact O-N 3.2Å
53	R	29.7	Very low	35.3	Very low	235 Å²	235	174.4 Å²	174.4	89%	0.887	83%	0.832	S	S	*	*			trans	-88.8	131.1	155.9	-102.8	-179.2	177.6	175.2	-2.2	107.1	V51	V51-R53 PolarHBondContact O-N 2.95Å
54	E	33.1	Very low	35.5	Very low	181 Å²	181	176.5 Å²	176.5	85%	0.846	84%	0.836	S	S	*	*			trans	-54.7	148.9	170.9	-68.6	-177.9	152.5	0	0	110.4	D56	E54-D56 PolarHBondContact O-N 3.4Å
55	P	33.6	Very low	35.7	Very low	129 Å²	129	172.4 Å²	172.4	84%	0.838	83%	0.829	S	S	*	*			trans	-68.4	107.9	178.3	26.9	-29	0	0	0	108.7
56	D	32	Very low	36.2	Very low	149 Å²	149	167.3 Å²	167.3	80%	0.797	83%	0.826	S	S	*	*			trans	-57.4	137.1	170.3	-155.3	4.9	0	0	0	109.1	E54	E54-D56 PolarHBondContact O-N 3.4Å
57	E	42.1	Very low	37.3	Very low	164 Å²	164	168.2 Å²	168.2	77%	0.766	83%	0.825	S	S	*	*			trans	-54.7	148.1	-176.3	-66.2	173	149.1	0	0	110.7	K59	E57-K59 PolarHBondContact O-N 3.37Å; E57-K59 VanDerWaalsContact O-N 3.1Å
58	T	37.5	Very low	39.3	Very low	125 Å²	125	162.5 Å²	162.5	77%	0.767	81%	0.812	S	S	*	*			trans	1.3	96.3	162.1	44.9	0	0	0	0	115.4	E60	T58-E60 PolarHBondContact O-N 3.35Å
59	K	34.3	Very low	41.9	Very low	201 Å²	201	156.2 Å²	156.2	87%	0.874	79%	0.786	S	S	*	*			trans	-70.1	85.1	152.2	-78.4	-173.3	175.6	-174.7	0	107.3	E57 E61	E57-K59 PolarHBondContact O-N 3.37Å; E57-K59 VanDerWaalsContact O-N 3.1Å; K59-E61 PolarHBondContact O-N 2.93Å
60	E	38.3	Very low	44.7	Very low	165 Å²	165	149.8 Å²	149.8	77%	0.771	76%	0.76	S	S	*	*			trans	-47.3	122.5	148.2	-67.3	-179	165.1	0	0	105.8	T58 E62	T58-E60 PolarHBondContact O-N 3.35Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.01Å
61	E	38.2	Very low	47.8	Very low	180 Å²	180	142.3 Å²	142.3	84%	0.841	72%	0.721	S	S	*	*			trans	-54.3	110.9	161.4	-70.6	179	162.6	0	0	104.6	K59 E63	K59-E61 PolarHBondContact O-N 2.93Å; E61-E63 PolarHBondContact O-N 2.89Å
62	E	37.5	Very low	51	Low	192 Å²	192	137.2 Å²	137.2	90%	0.897	69%	0.69	S	S	*	*			trans	-57.9	91.8	167.2	-81.1	-177.4	152.2	0	0	105.6	E60 D64	E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.01Å; E62-D64 PolarHBondContact O-N 3.34Å; E62-D64 VanDerWaalsContact O-N 3.08Å
63	E	44.1	Very low	54.6	Low	174 Å²	174	126 Å²	126	81%	0.813	65%	0.65	S	S	*	*			trans	-56	114.8	160	-75.4	-167.9	160	0	0	104.5	E61	E61-E63 PolarHBondContact O-N 2.89Å
64	D	41.7	Very low	57.9	Low	138 Å²	138	114.9 Å²	114.9	74%	0.738	61%	0.608	S	S	*	*			trans	-39.9	130.1	165.3	-87.7	-40	0	0	0	107.2	E62 P66	E62-D64 PolarHBondContact O-N 3.34Å; E62-D64 VanDerWaalsContact O-N 3.08Å; D64-P66 VanDerWaalsContact O-N 3.1Å
65	P	44.7	Very low	61	Low	105 Å²	105	107 Å²	107	68%	0.682	57%	0.571	S	S	*	*			trans	-49.7	129.2	177.9	21.1	-31.6	0	0	0	107	L67	P65-L67 PolarHBondContact O-N 3.34Å
66	P	53.9	Low	64.1	Low	124 Å²	124	100.9 Å²	100.9	81%	0.805	53%	0.531	S	S	*	.			trans	-55.2	110.8	-167.7	18.5	-30.5	0	0	0	108	D64 S68	D64-P66 VanDerWaalsContact O-N 3.1Å; P66-S68 PolarHBondContact O-N 3.04Å
67	L	56.8	Low	67.2	Low	148 Å²	148	94.2 Å²	94.2	78%	0.775	50%	0.496	S	S	*	.			trans	-47.5	120.9	176.1	-90.3	151.2	0	0	0	106.9	P65 T69	P65-L67 PolarHBondContact O-N 3.34Å; L67-T69 PolarHBondContact O-N 3.41Å
68	S	77.6	Confident	69.9	Low	97 Å²	97	86.4 Å²	86.4	68%	0.678	46%	0.459	S	S	*	.			trans	-57.7	114.3	-175.4	68.1	0	0	0	0	108.3	P66 T70	P66-S68 PolarHBondContact O-N 3.04Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 VanDerWaalsContact O-N 3.07Å
69	T	88.7	Confident	72.8	Confident	43 Å²	43	80.5 Å²	80.5	26%	0.264	42%	0.423	S	S	.	.			trans	-61	116.5	-177.1	-60.2	0	0	0	0	109.2	L67 I332 F337	L67-T69 PolarHBondContact O-N 3.41Å; T69-I332 HydrophobicContact CG2-CD1 3.68Å; T69-I332 HydrophobicContact CG2-CG1 4.05Å; T69-F337 HydrophobicContact CG2-CD1 3.56Å; T69-F337 HydrophobicContact CG2-CE1 4.17Å; T69-F337 HydrophobicContact CG2-CG 4.47Å
70	T	93.7	Very high	75.9	Confident	59 Å²	59	71.6 Å²	71.6	36%	0.362	38%	0.384	S	S	.	.			trans	-88.9	121.4	175.2	-61.4	0	0	0	0	109.2	S68 T72	S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 VanDerWaalsContact O-N 3.07Å; T70-T72 PolarHBondContact O-N 2.84Å; T70-T72 PolarHBondContact O-OG1 3.48Å
71	P	95	Very high	78.7	Confident	2 Å²	2	67 Å²	67	1%	0.013	36%	0.362	C	S	.	.			trans	-73.6	56.3	-177.8	32.3	-39.1	0	0	0	113.3	S73 V74 L111 A114 M116 L301 V328 I332	P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.49Å; P71-S73 VanDerWaalsContact O-N 3.17Å; P71-V74 HydrophobicContact CB-CG2 3.74Å; P71-V74 WeakPolarHBondContact O-CG2 3.36Å; P71-L111 HydrophobicContact CB-CD2 4.49Å; P71-A114 WeakPolarHBondContact CD-O 3.32Å; P71-A114 HydrophobicContact CG-CB 3.88Å; P71-M116 VanDerWaalsContact O-CA 3.23Å; P71-M116 WeakPolarHBondContact O-CA 3.44Å; P71-M116 WeakPolarHBondContact O-CB 3.4Å; P71-L301 HydrophobicContact CB-CD1 3.87Å; P71-V328 HydrophobicContact CG-CG1 4.14Å; P71-I332 HydrophobicContact CB-CD1 3.86Å; P71-I332 HydrophobicContact CG-CD1 4.33Å
72	T	96.1	Very high	81.5	Confident	23 Å²	23	60.7 Å²	60.7	14%	0.141	34%	0.337	C	S	.	.	S	Bend	trans	-54.9	-40.6	-173.5	-53.9	0	0	0	0	112.3	T70 E117 K118 W351	T70-T72 PolarHBondContact O-N 2.84Å; T70-T72 PolarHBondContact O-OG1 3.48Å; T72-E117 HydrophobicContact CG2-CB 4.17Å; T72-E117 HydrophobicContact CG2-CG 4.24Å; T72-E117 PolarHBondContact O-N 3.12Å; T72-K118 PolarHBondContact O-N 2.98Å; T72-W351 HydrophobicContact CG2-CH2 3.9Å; T72-W351 HydrophobicContact CG2-CZ2 4.4Å
73	S	97.8	Very high	84.3	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	112.2	-179.2	-177.5	0	0	0	0	111	P71 K118	P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.49Å; P71-S73 VanDerWaalsContact O-N 3.17Å; S73-K118 WeakPolarHBondContact CA-O 3.32Å
74	V	98.4	Very high	86.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.6	-174.1	-176.4	0	0	0	0	110.8	P71 L111 M116 K118 I119 N120 L301 L303	P71-V74 HydrophobicContact CB-CG2 3.74Å; P71-V74 WeakPolarHBondContact O-CG2 3.36Å; V74-L111 HydrophobicContact CG1-CD1 4.36Å; V74-L111 HydrophobicContact CG2-CD2 4.39Å; V74-M116 HydrophobicContact CB-SD 3.96Å; V74-M116 HydrophobicContact CG2-CG 4.22Å; V74-M116 HydrophobicContact CG2-SD 3.96Å; V74-K118 PolarHBondContact N-O 3.27Å; V74-I119 HydrophobicContact CB-CD1 4.18Å; V74-I119 HydrophobicContact CG1-CD1 4.4Å; V74-I119 CarbonylContact O-C 3.58Å; V74-N120 PolarHBondContact O-N 2.8Å; V74-L301 HydrophobicContact CG2-CB 4.44Å; V74-L301 HydrophobicContact CG2-CD1 4.48Å; V74-L303 HydrophobicContact CG1-CB 4.47Å; V74-L303 HydrophobicContact CG1-CD1 3.7Å; V74-L303 HydrophobicContact CG1-CG 3.85Å
75	N	98.6	Very high	89.3	Confident	16 Å²	16	46.8 Å²	46.8	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112	173.1	-64	-99	0	0	0	108.1	N120 L301 I302 L303	N75-N120 CarbonylContact C-O 3.56Å; N75-N120 WeakPolarHBondContact CA-O 3.49Å; N75-N120 WeakPolarHBondContact OD1-CB 3.41Å; N75-N120 PolarHBondContact OD1-ND2 3.13Å; N75-L301 PolarHBondContact N-O 3.1Å; N75-L301 PolarHBondContact ND2-O 3.25Å; N75-I302 CarbonylContact O-C 3.48Å; N75-I302 WeakPolarHBondContact O-CA 3.26Å; N75-L303 PolarHBondContact O-N 2.95Å
76	Y	98.8	Very high	91.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.5	178.8	180	-152	0	0	0	110.3	F78 A104 N120 F121 S122 L138 L303 D304 M307	Y76-F78 VanDerWaalsContact C-N 3.35Å; Y76-F78 HydrophobicContact CD1-CB 3.97Å; Y76-F78 HydrophobicContact CD2-CB 4.07Å; Y76-F78 HydrophobicContact CE1-CB 3.5Å; Y76-F78 VanDerWaalsContact CE1-CB 3.5Å; Y76-F78 VanDerWaalsContact CE2-CA 3.49Å; Y76-F78 HydrophobicContact CE2-CB 3.58Å; Y76-F78 HydrophobicContact CG-CB 4.23Å; Y76-F78 PolarHBondContact O-N 3.38Å; Y76-A104 HydrophobicContact CE1-CB 4.31Å; Y76-N120 PolarHBondContact N-O 3Å; Y76-F121 HydrophobicContact CD1-CD1 4.03Å; Y76-F121 AromaticContact CD1-CE1 3.87Å; Y76-F121 HydrophobicContact CD1-CE1 3.87Å; Y76-S122 PolarHBondContact O-N 3.14Å; Y76-L138 HydrophobicContact CE1-CD1 4.33Å; Y76-L303 HydrophobicContact CD2-CB 3.99Å; Y76-D304 WeakPolarHBondContact CE2-O 3.3Å; Y76-M307 HydrophobicContact CD1-CE 4.18Å; Y76-M307 HydrophobicContact CD2-CG 4.44Å; Y76-M307 HydrophobicContact CE1-CE 3.56Å; Y76-M307 HydrophobicContact CE2-CE 4.14Å; Y76-M307 HydrophobicContact CE2-CG 3.73Å
77	H	98.6	Very high	93.9	Very high	10 Å²	10	37 Å²	37	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	71.6	175.4	-70.7	-143.3	0	0	0	109.4	T79 H91 S122 L303 D304 E305	H77-T79 PolarHBondContact O-N 3.11Å; H77-T79 VanDerWaalsContact O-N 3.14Å; H77-H91 VanDerWaalsContact CB-NE2 3.34Å; H77-H91 WeakPolarHBondContact CB-NE2 3.45Å; H77-H91 AromaticContact CE1-CG 3.99Å; H77-H91 AromaticContact CG-CE1 3.9Å; H77-H91 AromaticContact CG-NE2 3.65Å; H77-H91 AromaticContact ND1-CD2 3.17Å; H77-H91 PolarHBondContact ND1-CD2 3.37Å; H77-H91 AromaticContact ND1-CE1 3.32Å; H77-H91 PolarHBondContact ND1-CE1 3.31Å; H77-H91 VanDerWaalsContact ND1-CE1 3.32Å; H77-H91 AromaticContact ND1-CG 3.31Å; H77-H91 VanDerWaalsContact ND1-CG 3.31Å; H77-H91 AromaticContact ND1-ND1 3.44Å; H77-H91 PolarHBondContact ND1-ND1 3.18Å; H77-H91 AromaticContact ND1-NE2 3.14Å; H77-H91 PolarHBondContact ND1-NE2 3.13Å; H77-H91 VanDerWaalsContact ND1-NE2 3.14Å; H77-S122 WeakPolarHBondContact CA-O 3.46Å; H77-S122 WeakPolarHBondContact NE2-CB 3.43Å; H77-S122 PolarHBondContact NE2-OG 3.29Å; H77-L303 WeakPolarHBondContact CB-O 3.3Å; H77-L303 PolarHBondContact N-O 2.97Å; H77-D304 CarbonylContact O-C 3.59Å; H77-D304 VanDerWaalsContact O-C 3.28Å; H77-E305 WeakPolarHBondContact O-CA 3.33Å; H77-E305 PolarHBondContact O-N 2.84Å
78	F	98.5	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.			trans	-70.7	-9.9	-170.2	66.2	-92.9	0	0	0	114.8	Y76 V98 F121 P126 H129 Y134 L135	Y76-F78 VanDerWaalsContact C-N 3.35Å; Y76-F78 HydrophobicContact CD1-CB 3.97Å; Y76-F78 HydrophobicContact CD2-CB 4.07Å; Y76-F78 HydrophobicContact CE1-CB 3.5Å; Y76-F78 VanDerWaalsContact CE1-CB 3.5Å; Y76-F78 VanDerWaalsContact CE2-CA 3.49Å; Y76-F78 HydrophobicContact CE2-CB 3.58Å; Y76-F78 HydrophobicContact CG-CB 4.23Å; Y76-F78 PolarHBondContact O-N 3.38Å; F78-V98 HydrophobicContact CD2-CG1 4.19Å; F78-F121 HydrophobicContact CD1-CB 4.48Å; F78-F121 HydrophobicContact CD1-CD1 4.12Å; F78-F121 HydrophobicContact CE1-CB 4.12Å; F78-F121 HydrophobicContact CE1-CD1 4.35Å; F78-P126 HydrophobicContact CE1-CB 3.76Å; F78-P126 HydrophobicContact CE1-CG 4.28Å; F78-P126 HydrophobicContact CZ-CB 3.65Å; F78-P126 HydrophobicContact CZ-CG 4.5Å; F78-P126 WeakPolarHBondContact CZ-O 3.44Å; F78-H129 HydrophobicContact CE2-CB 4.46Å; F78-Y134 HydrophobicContact CD2-CD1 4.07Å; F78-Y134 AromaticContact CD2-CE1 3.76Å; F78-Y134 HydrophobicContact CD2-CE1 3.76Å; F78-Y134 AromaticContact CE2-CD1 3.95Å; F78-Y134 HydrophobicContact CE2-CD1 3.95Å; F78-Y134 HydrophobicContact CE2-CE1 4.14Å; F78-Y134 HydrophobicContact CG-CE1 4.29Å; F78-L135 HydrophobicContact CE1-CD1 3.89Å; F78-L135 HydrophobicContact CZ-CB 4.26Å; F78-L135 HydrophobicContact CZ-CD1 4.11Å
79	T	98.4	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.			trans	-145.8	147.1	175	-174.7	0	0	0	0	109.8	H77 Q81 G123 G124	H77-T79 PolarHBondContact O-N 3.11Å; H77-T79 VanDerWaalsContact O-N 3.14Å; T79-Q81 PolarHBondContact OG1-N 3.34Å; T79-G123 CarbonylContact O-C 3.53Å; T79-G123 WeakPolarHBondContact O-CA 3.18Å; T79-G124 PolarHBondContact O-N 3.24Å
80	R	98.3	Very high	97.1	Very high	14 Å²	14	29 Å²	29	5%	0.053	15%	0.151	C	C	.	.			trans	-99.1	-7.5	170.7	-74.4	-177	170.2	-93.8	3.5	113.4	H91 T92 A93 E255 E305	R80-H91 VanDerWaalsContact CZ-CE1 3.48Å; R80-H91 PolarHBondContact NH2-CE1 3.1Å; R80-T92 WeakPolarHBondContact CB-O 3.46Å; R80-T92 WeakPolarHBondContact CD-O 3.4Å; R80-T92 PolarHBondContact NH1-O 3.35Å; R80-A93 VanDerWaalsContact O-CA 3.28Å; R80-A93 WeakPolarHBondContact O-CA 3.44Å; R80-A93 WeakPolarHBondContact O-CB 3.39Å; R80-E255 IonicContact CZ-OE1 3.99Å; R80-E255 IonicContact NH1-OE1 3.7Å; R80-E255 PolarHBondContact NH1-OE1 2.85Å; R80-E255 IonicContact NH1-OE2 2.63Å; R80-E255 PolarHBondContact NH1-OE2 2.9Å; R80-E255 IonicContact NH2-OE1 3.98Å; R80-E255 PolarHBondContact NH2-OE1 3.02Å; R80-E255 VanDerWaalsContact NH2-OE1 3.08Å; R80-E305 VanDerWaalsContact CD-OE1 3.27Å; R80-E305 WeakPolarHBondContact CD-OE1 3.26Å; R80-E305 WeakPolarHBondContact CD-OE2 3.4Å; R80-E305 IonicContact CZ-OE2 3.93Å; R80-E305 IonicContact NE-OE1 2.9Å; R80-E305 PolarHBondContact NE-OE1 2.7Å; R80-E305 IonicContact NE-OE2 3.84Å; R80-E305 PolarHBondContact NE-OE2 2.91Å
81	Q	98	Very high	97.1	Very high	68 Å²	68	26.3 Å²	26.3	32%	0.318	13%	0.134	S	C	.	.			trans	-73.3	135.6	-178.9	-63.8	-175	-24.6	0	0	111	T79 S96 G124 E125 L128	T79-Q81 PolarHBondContact OG1-N 3.34Å; Q81-S96 VanDerWaalsContact NE2-CB 3.33Å; Q81-G124 CarbonylContact O-C 3.57Å; Q81-G124 VanDerWaalsContact O-CA 3.29Å; Q81-G124 WeakPolarHBondContact O-CA 3.36Å; Q81-E125 PolarHBondContact O-N 2.71Å; Q81-L128 HydrophobicContact CB-CD2 3.43Å; Q81-L128 VanDerWaalsContact CB-CD2 3.43Å
82	C	97.1	Very high	97.1	Very high	48 Å²	48	26.3 Å²	26.3	32%	0.324	13%	0.134	S	C	.	.			trans	-141	145.5	178.7	-168.3	0	0	0	0	110.4	Y84 E125	C82-Y84 PolarHBondContact SG-N 3.38Å; C82-E125 HydrophobicContact CB-CB 4.49Å
83	N	95.4	Very high	97.1	Very high	37 Å²	37	27.9 Å²	27.9	20%	0.198	15%	0.15	C	C	.	.	S	Bend	trans	-92.2	-3.3	175.9	68.1	-51.6	0	0	0	113.5	E125 L128 N156 S158	N83-E125 WeakPolarHBondContact OD1-CG 3.44Å; N83-L128 HydrophobicContact CB-CD1 4.26Å; N83-N156 PolarHBondContact OD1-ND2 3.01Å; N83-S158 PolarHBondContact ND2-OG 3.23Å
84	Y	95.4	Very high	96.9	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.047	17%	0.167	C	C	.	.			trans	-101.8	165.3	174.3	-84.8	27	0	0	0	110.8	C82 N156 R192 Q194	C82-Y84 PolarHBondContact SG-N 3.38Å; Y84-N156 HydrophobicContact CD2-CB 3.9Å; Y84-N156 HydrophobicContact CE2-CB 4Å; Y84-N156 HydrophobicContact CG-CB 4.33Å; Y84-R192 HydrophobicContact CD2-CB 4.05Å; Y84-R192 HydrophobicContact CD2-CG 3.96Å; Y84-R192 HydrophobicContact CE2-CB 3.92Å; Y84-R192 HydrophobicContact CE2-CG 4.2Å; Y84-R192 WeakPolarHBondContact CE2-O 3.28Å; Y84-R192 PolarHBondContact OH-O 2.92Å; Y84-Q194 HydrophobicContact CE1-CB 3.92Å
85	K	95.9	Very high	96.7	Very high	164 Å²	164	34.2 Å²	34.2	71%	0.713	18%	0.179	S	C	*	.			trans	-127.9	36.7	-176.1	-61.8	-175.8	-178.3	-179.6	0	112.4	G87 G191	K85-G87 PolarHBondContact O-N 2.93Å; K85-G191 CarbonylContact C-O 3.5Å; K85-G191 VanDerWaalsContact C-O 3.32Å; K85-G191 PolarHBondContact N-O 2.78Å
86	C	97.1	Very high	96.5	Very high	14 Å²	14	37.6 Å²	37.6	10%	0.095	20%	0.204	C	C	.	.			trans	-50.8	126.4	-178.5	-44.3	0	0	0	0	110.7	F88 C89 I190 G191 R192 R263	C86-F88 VanDerWaalsContact C-N 3.3Å; C86-F88 HydrophobicContact CB-CD2 4.43Å; C86-F88 HydrophobicContact CB-CE2 3.9Å; C86-F88 HydrophobicContact CB-CZ 4.1Å; C86-F88 PolarHBondContact O-N 3.36Å; C86-C89 HydrophobicContact CB-CB 4.28Å; C86-C89 WeakPolarHBondContact O-CB 3.3Å; C86-C89 PolarHBondContact O-N 3.02Å; C86-I190 CarbonylContact C-O 3.55Å; C86-I190 VanDerWaalsContact CA-O 3.28Å; C86-I190 WeakPolarHBondContact CA-O 3.4Å; C86-G191 PolarHBondContact N-O 2.88Å; C86-R192 WeakPolarHBondContact SG-CG 3.4Å; C86-R263 WeakPolarHBondContact O-CD 3.45Å; C86-R263 PolarHBondContact O-NE 2.86Å
87	G	97.3	Very high	96.5	Very high	8 Å²	8	40.9 Å²	40.9	8%	0.082	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.9	-173.7	0	0	0	0	0	113.8	K85 I190 R263 F268	K85-G87 PolarHBondContact O-N 2.93Å; G87-I190 PolarHBondContact N-O 2.91Å; G87-R263 WeakPolarHBondContact O-CB 3.47Å; G87-F268 VanDerWaalsContact C-CE2 3.46Å; G87-F268 VanDerWaalsContact CA-CE2 3.48Å
88	F	97.5	Very high	96.5	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.053	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.6	175.9	52.5	-112.8	0	0	0	114.4	C86 F90 D180 I190 V222 N224 N256 A265 F268	C86-F88 VanDerWaalsContact C-N 3.3Å; C86-F88 HydrophobicContact CB-CD2 4.43Å; C86-F88 HydrophobicContact CB-CE2 3.9Å; C86-F88 HydrophobicContact CB-CZ 4.1Å; C86-F88 PolarHBondContact O-N 3.36Å; F88-F90 PolarHBondContact O-N 2.72Å; F88-D180 WeakPolarHBondContact CZ-OD2 3.22Å; F88-I190 HydrophobicContact CD1-CG2 4.3Å; F88-I190 HydrophobicContact CE1-CB 4.32Å; F88-I190 HydrophobicContact CE1-CD1 4.44Å; F88-I190 HydrophobicContact CE1-CG1 4.26Å; F88-I190 HydrophobicContact CE1-CG2 3.23Å; F88-I190 HydrophobicContact CZ-CG2 3.41Å; F88-I190 VanDerWaalsContact CZ-CG2 3.41Å; F88-V222 HydrophobicContact CD1-CG1 4.49Å; F88-V222 HydrophobicContact CD2-CB 4.49Å; F88-V222 HydrophobicContact CD2-CG1 4.17Å; F88-V222 HydrophobicContact CE2-CB 4.13Å; F88-V222 HydrophobicContact CE2-CG1 4.3Å; F88-V222 HydrophobicContact CE2-CG2 4.16Å; F88-V222 HydrophobicContact CG-CG1 4.35Å; F88-V222 HydrophobicContact CZ-CB 4.25Å; F88-N224 HydrophobicContact CD1-CB 4.39Å; F88-N256 PolarHBondContact O-ND2 3.22Å; F88-A265 HydrophobicContact CB-CB 4.18Å; F88-F268 HydrophobicContact CB-CB 4.09Å; F88-F268 HydrophobicContact CB-CD2 4.3Å; F88-F268 HydrophobicContact CB-CG 4.07Å; F88-F268 HydrophobicContact CD1-CB 4.25Å; F88-F268 AromaticContact CD1-CD1 3.56Å; F88-F268 HydrophobicContact CD1-CD1 3.56Å; F88-F268 HydrophobicContact CD1-CE1 4.05Å; F88-F268 AromaticContact CD1-CG 3.95Å; F88-F268 HydrophobicContact CD1-CG 3.95Å; F88-F268 HydrophobicContact CE1-CD1 4.27Å
89	C	97.5	Very high	96.5	Very high	32 Å²	32	42 Å²	42	22%	0.216	23%	0.225	C	C	.	.			trans	-55.9	113	-171.4	-179.5	0	0	0	0	112	C86 H91 T92 N256 R263	C86-C89 HydrophobicContact CB-CB 4.28Å; C86-C89 WeakPolarHBondContact O-CB 3.3Å; C86-C89 PolarHBondContact O-N 3.02Å; C89-H91 VanDerWaalsContact C-N 3.33Å; C89-H91 PolarHBondContact O-N 3.27Å; C89-T92 HydrophobicContact CB-CG2 4.49Å; C89-T92 WeakPolarHBondContact O-CG2 3.12Å; C89-N256 WeakPolarHBondContact O-CB 3.48Å; C89-R263 HydrophobicContact CB-CG 4.32Å
90	F	95	Very high	96.5	Very high	77 Å²	77	46 Å²	46	34%	0.338	25%	0.251	S	S	.	.	S	Bend	trans	-88.1	9.5	-177.1	69.4	-0.4	0	0	0	114.9	F88 L250 I252 E255 M296 K317	F88-F90 PolarHBondContact O-N 2.72Å; F90-L250 HydrophobicContact CD2-CD2 4.42Å; F90-I252 HydrophobicContact CB-CB 4.42Å; F90-I252 HydrophobicContact CB-CG1 4.07Å; F90-I252 HydrophobicContact CD2-CG1 4.46Å; F90-E255 WeakPolarHBondContact O-CB 3.42Å; F90-E255 WeakPolarHBondContact O-CG 3.37Å; F90-M296 HydrophobicContact CE2-SD 3.85Å; F90-K317 PolarHBondContact O-NZ 2.97Å
91	H	95.4	Very high	96.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	26%	0.257	C	S	.	.	S	Bend	trans	-146.2	74.9	-177.5	-166.6	75	0	0	0	108.9	H77 R80 C89 K317	H77-H91 VanDerWaalsContact CB-NE2 3.34Å; H77-H91 WeakPolarHBondContact CB-NE2 3.45Å; H77-H91 AromaticContact CE1-CG 3.99Å; H77-H91 AromaticContact CG-CE1 3.9Å; H77-H91 AromaticContact CG-NE2 3.65Å; H77-H91 AromaticContact ND1-CD2 3.17Å; H77-H91 PolarHBondContact ND1-CD2 3.37Å; H77-H91 AromaticContact ND1-CE1 3.32Å; H77-H91 PolarHBondContact ND1-CE1 3.31Å; H77-H91 VanDerWaalsContact ND1-CE1 3.32Å; H77-H91 AromaticContact ND1-CG 3.31Å; H77-H91 VanDerWaalsContact ND1-CG 3.31Å; H77-H91 AromaticContact ND1-ND1 3.44Å; H77-H91 PolarHBondContact ND1-ND1 3.18Å; H77-H91 AromaticContact ND1-NE2 3.14Å; H77-H91 PolarHBondContact ND1-NE2 3.13Å; H77-H91 VanDerWaalsContact ND1-NE2 3.14Å; R80-H91 VanDerWaalsContact CZ-CE1 3.48Å; R80-H91 PolarHBondContact NH2-CE1 3.1Å; C89-H91 VanDerWaalsContact C-N 3.33Å; C89-H91 PolarHBondContact O-N 3.27Å; H91-K317 PolarHBondContact ND1-NZ 3.45Å
92	T	95	Very high	96.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	27%	0.267	C	S	.	.			trans	-86.5	164.7	-163.1	61.6	0	0	0	0	112.6	R80 C89 K94 E255 L262 R263	R80-T92 WeakPolarHBondContact CB-O 3.46Å; R80-T92 WeakPolarHBondContact CD-O 3.4Å; R80-T92 PolarHBondContact NH1-O 3.35Å; C89-T92 HydrophobicContact CB-CG2 4.49Å; C89-T92 WeakPolarHBondContact O-CG2 3.12Å; T92-K94 PolarHBondContact O-N 3.49Å; T92-K94 WeakPolarHBondContact OG1-CG 3.42Å; T92-E255 WeakPolarHBondContact CG2-O 3.38Å; T92-E255 PolarHBondContact N-OE2 2.63Å; T92-E255 PolarHBondContact OG1-OE2 3.41Å; T92-L262 HydrophobicContact CG2-CB 4.3Å; T92-R263 HydrophobicContact CG2-CB 4.41Å; T92-R263 HydrophobicContact CG2-CG 3.76Å
93	A	95	Very high	96.6	Very high	56 Å²	56	50.1 Å²	50.1	46%	0.463	27%	0.267	S	S	.	.			trans	-71.5	53.5	-179	0	0	0	0	0	113.5	R80 T95	R80-A93 VanDerWaalsContact O-CA 3.28Å; R80-A93 WeakPolarHBondContact O-CA 3.44Å; R80-A93 WeakPolarHBondContact O-CB 3.39Å; A93-T95 PolarHBondContact O-N 3.5Å
94	K	92.6	Very high	96.8	Very high	105 Å²	105	48.4 Å²	48.4	46%	0.457	26%	0.258	S	S	.	.	S	Bend	trans	-68.7	-24.2	178.1	-56.6	-171.5	70.4	161.5	0	112.8	T92 G254 L262	T92-K94 PolarHBondContact O-N 3.49Å; T92-K94 WeakPolarHBondContact OG1-CG 3.42Å; K94-G254 PolarHBondContact NZ-O 2.95Å; K94-L262 HydrophobicContact CG-CD1 4.25Å
95	T	95.6	Very high	97	Very high	41 Å²	41	50 Å²	50	25%	0.252	27%	0.265	S	S	.	.			trans	-140	162.3	178.9	75.4	0	0	0	0	109.7	A93 E305 Y306	A93-T95 PolarHBondContact O-N 3.5Å; T95-E305 WeakPolarHBondContact CG2-OE1 3.49Å; T95-E305 PolarHBondContact OG1-OE1 3.28Å; T95-Y306 HydrophobicContact CG2-CE2 4.42Å
96	S	95	Very high	97.1	Very high	87 Å²	87	46.9 Å²	46.9	61%	0.608	25%	0.249	S	C	*	.			trans	-108.8	9.6	169.6	59.5	0	0	0	0	112.6	Q81	Q81-S96 VanDerWaalsContact NE2-CB 3.33Å
97	F	97.9	Very high	97.2	Very high	69 Å²	69	46.2 Å²	46.2	30%	0.303	25%	0.245	S	C	.	.			trans	-71.9	141.7	-175.7	-178.8	-99.8	0	0	0	110.7	L99 E305 Y306	F97-L99 HydrophobicContact CE1-CD2 3.87Å; F97-L99 HydrophobicContact CE1-CG 3.8Å; F97-L99 HydrophobicContact CZ-CD2 3.77Å; F97-L99 HydrophobicContact CZ-CG 4.14Å; F97-E305 HydrophobicContact CB-CG 4.25Å; F97-E305 HydrophobicContact CD1-CB 4.38Å; F97-E305 HydrophobicContact CD1-CG 3.99Å; F97-E305 WeakPolarHBondContact CD1-O 3.24Å; F97-E305 WeakPolarHBondContact CE1-O 3.24Å; F97-Y306 HydrophobicContact CB-CE1 4.02Å; F97-Y306 HydrophobicContact CB-CE2 4.47Å; F97-Y306 WeakPolarHBondContact CB-OH 3.38Å; F97-Y306 AromaticContact CD1-CD1 3.43Å; F97-Y306 HydrophobicContact CD1-CD1 3.43Å; F97-Y306 VanDerWaalsContact CD1-CD1 3.43Å; F97-Y306 HydrophobicContact CD1-CD2 4.38Å; F97-Y306 AromaticContact CD1-CE1 3.22Å; F97-Y306 HydrophobicContact CD1-CE1 3.22Å; F97-Y306 HydrophobicContact CD1-CE2 4.23Å; F97-Y306 HydrophobicContact CD1-CG 4.01Å; F97-Y306 AromaticContact CD1-CZ 3.65Å; F97-Y306 AromaticContact CD2-CE1 3.96Å; F97-Y306 HydrophobicContact CD2-CE1 3.96Å; F97-Y306 AromaticContact CE1-CD1 3.31Å; F97-Y306 HydrophobicContact CE1-CD1 3.31Å; F97-Y306 AromaticContact CE1-CE1 3.51Å; F97-Y306 HydrophobicContact CE1-CE1 3.51Å; F97-Y306 HydrophobicContact CE1-CG 4.05Å; F97-Y306 HydrophobicContact CE2-CE1 4.22Å; F97-Y306 HydrophobicContact CG-CD1 4.14Å; F97-Y306 AromaticContact CG-CE1 3.46Å; F97-Y306 HydrophobicContact CG-CE1 3.46Å; F97-Y306 VanDerWaalsContact CG-CE1 3.46Å; F97-Y306 AromaticContact CG-CZ 3.71Å; F97-Y306 AromaticContact CZ-CD1 3.97Å; F97-Y306 HydrophobicContact CZ-CD1 3.97Å; F97-Y306 AromaticContact CZ-CE1 4Å; F97-Y306 HydrophobicContact CZ-CE1 4Å
98	V	98.3	Very high	97.2	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.121	24%	0.241	C	C	.	.			trans	-141.9	132.4	169.4	-178.4	0	0	0	0	106	F78 Y134	F78-V98 HydrophobicContact CD2-CG1 4.19Å; V98-Y134 HydrophobicContact CG1-CE1 4.05Å; V98-Y134 HydrophobicContact CG1-CE2 4.35Å
99	L	98.3	Very high	97.3	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	26%	0.256	C	S	.	.			trans	-60	145.7	176.7	-82.4	167	0	0	0	111.5	F97 E103 A104 Y134 M307 L324	F97-L99 HydrophobicContact CE1-CD2 3.87Å; F97-L99 HydrophobicContact CE1-CG 3.8Å; F97-L99 HydrophobicContact CZ-CD2 3.77Å; F97-L99 HydrophobicContact CZ-CG 4.14Å; L99-E103 HydrophobicContact CD2-CB 4.15Å; L99-A104 HydrophobicContact CB-CB 4.27Å; L99-Y134 WeakPolarHBondContact O-CE2 3.19Å; L99-Y134 PolarHBondContact O-OH 3.37Å; L99-M307 HydrophobicContact CD1-CB 4.26Å; L99-M307 HydrophobicContact CD1-CE 4.42Å; L99-M307 HydrophobicContact CD1-CG 3.5Å; L99-M307 HydrophobicContact CD1-SD 3.65Å; L99-L324 HydrophobicContact CD1-CD1 3.81Å; L99-L324 HydrophobicContact CD2-CD1 3.93Å
100	P	98.6	Very high	97.4	Very high	83 Å²	83	49.3 Å²	49.3	54%	0.539	26%	0.257	S	S	.	.			trans	-54.3	144.2	163.9	-23.9	34.5	0	0	0	110.7	E102 E103 A104	P100-E102 VanDerWaalsContact C-N 3.26Å; P100-E102 PolarHBondContact O-N 3.27Å; P100-E102 VanDerWaalsContact O-N 3.16Å; P100-E103 PolarHBondContact O-N 3.46Å; P100-A104 PolarHBondContact O-N 2.9Å
101	L	98.8	Very high	97.6	Very high	32 Å²	32	45.7 Å²	45.7	17%	0.168	24%	0.241	C	C	.	.	H	α-helix	trans	-54.2	-42	-172.8	-178.6	69	0	0	0	112.9	A104 K105 Y134 K137 L138	L101-A104 PolarHBondContact O-N 3.49Å; L101-K105 WeakPolarHBondContact O-CG 3.41Å; L101-K105 PolarHBondContact O-N 3.4Å; L101-Y134 HydrophobicContact CB-CD2 4.18Å; L101-Y134 HydrophobicContact CB-CE2 3.82Å; L101-Y134 HydrophobicContact CD1-CD2 3.91Å; L101-Y134 HydrophobicContact CD1-CE2 3.81Å; L101-Y134 HydrophobicContact CD1-CG 4.45Å; L101-Y134 HydrophobicContact CG-CE2 4.45Å; L101-K137 HydrophobicContact CD1-CB 4.05Å; L101-K137 HydrophobicContact CD2-CB 4.06Å; L101-K137 HydrophobicContact CD2-CD 3.56Å; L101-K137 HydrophobicContact CD2-CG 4.41Å; L101-L138 HydrophobicContact CD1-CD2 3.55Å; L101-L138 HydrophobicContact CD1-CG 3.83Å
102	E	98.7	Very high	97.7	Very high	117 Å²	117	49.1 Å²	49.1	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-34.8	-178.7	-59.4	-50.6	128.3	0	0	112.5	P100 K105 R106	P100-E102 VanDerWaalsContact C-N 3.26Å; P100-E102 PolarHBondContact O-N 3.27Å; P100-E102 VanDerWaalsContact O-N 3.16Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE1-NZ 3.13Å; E102-K105 PolarHBondContact OE1-NZ 3.07Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 3.35Å; E102-R106 PolarHBondContact O-N 2.99Å
103	E	98.8	Very high	97.9	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-68.9	-38.4	173.7	-74.8	-63	102.9	0	0	111.5	L99 P100 R106 G107 L324	L99-E103 HydrophobicContact CD2-CB 4.15Å; P100-E103 PolarHBondContact O-N 3.46Å; E103-R106 WeakPolarHBondContact O-CB 3.44Å; E103-R106 PolarHBondContact O-N 3.27Å; E103-R106 IonicContact OE1-NE 2.6Å; E103-R106 PolarHBondContact OE1-NE 3.44Å; E103-R106 IonicContact OE1-NH2 3.98Å; E103-R106 IonicContact OE2-CZ 3.91Å; E103-R106 IonicContact OE2-NE 3.54Å; E103-R106 PolarHBondContact OE2-NE 2.89Å; E103-R106 IonicContact OE2-NH2 2.87Å; E103-R106 PolarHBondContact OE2-NH2 3.41Å; E103-G107 PolarHBondContact O-N 2.71Å; E103-L324 HydrophobicContact CB-CD1 4.43Å
104	A	98.8	Very high	98	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-40.1	173.1	0	0	0	0	0	112	Y76 L99 P100 L101 R106 G107 L108 Y134 L138 M307	Y76-A104 HydrophobicContact CE1-CB 4.31Å; L99-A104 HydrophobicContact CB-CB 4.27Å; P100-A104 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 3.49Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-G107 PolarHBondContact O-N 3.09Å; A104-L108 WeakPolarHBondContact O-CB 3.47Å; A104-L108 WeakPolarHBondContact O-CD1 3.32Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.47Å; A104-L108 PolarHBondContact O-N 3.1Å; A104-Y134 WeakPolarHBondContact CB-OH 3.29Å; A104-L138 HydrophobicContact CB-CD1 4.37Å; A104-L138 HydrophobicContact CB-CD2 4.08Å; A104-M307 HydrophobicContact CB-CE 4.12Å; A104-M307 VanDerWaalsContact O-CE 3.24Å; A104-M307 WeakPolarHBondContact O-CE 3.37Å
105	K	98.9	Very high	98.2	Very high	46 Å²	46	50.9 Å²	50.9	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-42	172.6	-72.1	175.3	-177.3	165.8	0	111.8	L101 E102 G107 L108 L109 L138 F141	L101-K105 WeakPolarHBondContact O-CG 3.41Å; L101-K105 PolarHBondContact O-N 3.4Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 IonicContact OE1-NZ 3.13Å; E102-K105 PolarHBondContact OE1-NZ 3.07Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 3.35Å; K105-G107 PolarHBondContact O-N 3.42Å; K105-L108 PolarHBondContact O-N 3.43Å; K105-L109 PolarHBondContact O-N 3.02Å; K105-L138 HydrophobicContact CG-CD2 4.12Å; K105-F141 HydrophobicContact CB-CD1 4.11Å; K105-F141 HydrophobicContact CB-CE1 3.69Å; K105-F141 HydrophobicContact CB-CE2 4.25Å; K105-F141 HydrophobicContact CB-CZ 3.79Å; K105-F141 HydrophobicContact CD-CD2 3.99Å; K105-F141 HydrophobicContact CD-CE2 4.2Å; K105-F141 HydrophobicContact CD-CG 4.17Å; K105-F141 HydrophobicContact CG-CB 4.49Å; K105-F141 HydrophobicContact CG-CD1 3.73Å; K105-F141 HydrophobicContact CG-CD2 4.08Å; K105-F141 HydrophobicContact CG-CE1 3.85Å; K105-F141 HydrophobicContact CG-CE2 4.23Å; K105-F141 HydrophobicContact CG-CG 3.83Å; K105-F141 HydrophobicContact CG-CZ 4.12Å
106	R	98.8	Very high	98.4	Very high	99 Å²	99	48.9 Å²	48.9	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-48.9	175.3	-175.5	173.7	71.8	91.6	-9.6	111.3	E102 E103 A104 L108 L109 L110 L324	E102-R106 PolarHBondContact O-N 2.99Å; E103-R106 WeakPolarHBondContact O-CB 3.44Å; E103-R106 PolarHBondContact O-N 3.27Å; E103-R106 IonicContact OE1-NE 2.6Å; E103-R106 PolarHBondContact OE1-NE 3.44Å; E103-R106 IonicContact OE1-NH2 3.98Å; E103-R106 IonicContact OE2-CZ 3.91Å; E103-R106 IonicContact OE2-NE 3.54Å; E103-R106 PolarHBondContact OE2-NE 2.89Å; E103-R106 IonicContact OE2-NH2 2.87Å; E103-R106 PolarHBondContact OE2-NH2 3.41Å; A104-R106 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.2Å; R106-L109 WeakPolarHBondContact O-CB 3.48Å; R106-L109 PolarHBondContact O-N 3.31Å; R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.29Å; R106-L324 PolarHBondContact NH1-O 2.94Å; R106-L324 PolarHBondContact NH2-O 3.34Å
107	G	98.8	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-36.4	177.5	0	0	0	0	0	113.8	E103 A104 K105 L109 L110 L111	E103-G107 PolarHBondContact O-N 2.71Å; A104-G107 PolarHBondContact O-N 3.09Å; K105-G107 PolarHBondContact O-N 3.42Å; G107-L109 VanDerWaalsContact C-N 3.34Å; G107-L110 PolarHBondContact O-N 2.94Å; G107-L111 WeakPolarHBondContact O-CG 3.44Å; G107-L111 PolarHBondContact O-N 3.46Å
108	L	98.9	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-36	174.7	-71.3	163.8	0	0	0	112.4	A104 K105 R106 L111 K112 M116 I119 F121 L138 F141 L146 M307	A104-L108 WeakPolarHBondContact O-CB 3.47Å; A104-L108 WeakPolarHBondContact O-CD1 3.32Å; A104-L108 VanDerWaalsContact O-CG 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.47Å; A104-L108 PolarHBondContact O-N 3.1Å; K105-L108 PolarHBondContact O-N 3.43Å; R106-L108 PolarHBondContact O-N 3.2Å; L108-L111 HydrophobicContact CD2-CD1 4.44Å; L108-L111 PolarHBondContact O-N 2.84Å; L108-K112 PolarHBondContact O-N 3.16Å; L108-M116 HydrophobicContact CD2-CE 4.32Å; L108-I119 HydrophobicContact CD2-CD1 3.87Å; L108-I119 HydrophobicContact CD2-CG1 4.01Å; L108-F121 HydrophobicContact CD1-CE1 4.41Å; L108-F121 HydrophobicContact CD1-CZ 4.35Å; L108-L138 HydrophobicContact CD1-CD2 3.84Å; L108-F141 HydrophobicContact CB-CE1 4.14Å; L108-F141 HydrophobicContact CD1-CD1 4.35Å; L108-L146 HydrophobicContact CB-CD1 3.88Å; L108-M307 HydrophobicContact CG-CE 4.25Å
109	L	98.8	Very high	98.6	Very high	71 Å²	71	44.5 Å²	44.5	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-46.4	172	177.2	62.7	0	0	0	111.1	K105 R106 G107 L111 K112 E113 L146	K105-L109 PolarHBondContact O-N 3.02Å; R106-L109 WeakPolarHBondContact O-CB 3.48Å; R106-L109 PolarHBondContact O-N 3.31Å; G107-L109 VanDerWaalsContact C-N 3.34Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.85Å; L109-K112 WeakPolarHBondContact O-CA 3.29Å; L109-K112 WeakPolarHBondContact O-CB 3.42Å; L109-K112 PolarHBondContact O-N 2.86Å; L109-E113 HydrophobicContact CD1-CG 4.25Å; L109-E113 HydrophobicContact CG-CG 4.46Å; L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 3.02Å; L109-L146 HydrophobicContact CB-CD2 4.29Å; L109-L146 HydrophobicContact CD1-CD2 3.75Å
110	L	98.8	Very high	98.6	Very high	46 Å²	46	44.4 Å²	44.4	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-40.9	176	-67	173.8	0	0	0	112	R106 G107 E113 A114 L324 V328	R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.29Å; G107-L110 PolarHBondContact O-N 2.94Å; L110-E113 PolarHBondContact O-N 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.14Å; L110-A114 PolarHBondContact O-N 3.07Å; L110-L324 HydrophobicContact CD1-CD2 4.47Å; L110-V328 HydrophobicContact CB-CG2 3.88Å
111	L	98.8	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.2	-67.7	166.4	0	0	0	112	P71 V74 G107 L108 L109 A114 G115 M116 L303 F309 I323 V328	P71-L111 HydrophobicContact CB-CD2 4.49Å; V74-L111 HydrophobicContact CG1-CD1 4.36Å; V74-L111 HydrophobicContact CG2-CD2 4.39Å; G107-L111 WeakPolarHBondContact O-CG 3.44Å; G107-L111 PolarHBondContact O-N 3.46Å; L108-L111 HydrophobicContact CD2-CD1 4.44Å; L108-L111 PolarHBondContact O-N 2.84Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.85Å; L111-A114 CarbonylContact O-C 3.57Å; L111-A114 PolarHBondContact O-N 3.05Å; L111-G115 PolarHBondContact O-N 3.06Å; L111-M116 HydrophobicContact CB-CB 4.03Å; L111-M116 HydrophobicContact CB-CE 3.64Å; L111-M116 HydrophobicContact CB-SD 3.77Å; L111-M116 HydrophobicContact CD1-CE 4.38Å; L111-M116 HydrophobicContact CD1-SD 4.07Å; L111-M116 WeakPolarHBondContact O-CB 3.5Å; L111-M116 PolarHBondContact O-N 3.09Å; L111-L303 HydrophobicContact CD1-CD1 3.46Å; L111-L303 VanDerWaalsContact CD1-CD1 3.46Å; L111-L303 HydrophobicContact CD2-CD1 4.17Å; L111-L303 HydrophobicContact CG-CD1 4.34Å; L111-F309 HydrophobicContact CD2-CZ 4.14Å; L111-I323 HydrophobicContact CD1-CD1 4.15Å; L111-I323 HydrophobicContact CD2-CD1 4.16Å; L111-I323 HydrophobicContact CG-CD1 3.91Å; L111-V328 HydrophobicContact CD2-CG1 4.13Å; L111-V328 HydrophobicContact CD2-CG2 3.91Å; L111-V328 HydrophobicContact CG-CG2 4.37Å
112	K	98.5	Very high	98.5	Very high	74 Å²	74	39.7 Å²	39.7	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-44.2	176.2	175.4	71.3	-167.1	84.9	0	111.6	L108 L109 A114 G115 L146 L148	L108-K112 PolarHBondContact O-N 3.16Å; L109-K112 WeakPolarHBondContact O-CA 3.29Å; L109-K112 WeakPolarHBondContact O-CB 3.42Å; L109-K112 PolarHBondContact O-N 2.86Å; K112-A114 VanDerWaalsContact C-N 3.27Å; K112-A114 PolarHBondContact O-N 2.94Å; K112-G115 PolarHBondContact O-N 3.25Å; K112-G115 VanDerWaalsContact O-N 3.09Å; K112-L146 HydrophobicContact CB-CD1 4.28Å; K112-L146 HydrophobicContact CB-CD2 4.38Å; K112-L146 HydrophobicContact CD-CB 4.35Å; K112-L146 WeakPolarHBondContact CD-O 3.3Å; K112-L146 WeakPolarHBondContact CE-O 3.47Å; K112-L146 HydrophobicContact CG-CB 4.34Å; K112-L146 HydrophobicContact CG-CD2 4.44Å; K112-L148 HydrophobicContact CD-CD2 3.42Å; K112-L148 VanDerWaalsContact CD-CD2 3.42Å; K112-L148 HydrophobicContact CD-CG 4.49Å
113	E	98.3	Very high	98.2	Very high	135 Å²	135	34.8 Å²	34.8	63%	0.631	18%	0.179	S	C	*	.	H	α-helix	trans	-63.7	-35	176.6	-71	172.8	167.4	0	0	111.4	L109 L110 G115	L109-E113 HydrophobicContact CD1-CG 4.25Å; L109-E113 HydrophobicContact CG-CG 4.46Å; L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 3.02Å; L110-E113 PolarHBondContact O-N 3.26Å; E113-G115 PolarHBondContact O-N 2.76Å
114	A	97.8	Very high	98	Very high	38 Å²	38	32.3 Å²	32.3	31%	0.314	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.1	173.5	0	0	0	0	0	114.4	P71 L110 L111 K112 V328	P71-A114 WeakPolarHBondContact CD-O 3.32Å; P71-A114 HydrophobicContact CG-CB 3.88Å; L110-A114 WeakPolarHBondContact O-CB 3.14Å; L110-A114 PolarHBondContact O-N 3.07Å; L111-A114 CarbonylContact O-C 3.57Å; L111-A114 PolarHBondContact O-N 3.05Å; K112-A114 VanDerWaalsContact C-N 3.27Å; K112-A114 PolarHBondContact O-N 2.94Å; A114-V328 HydrophobicContact CB-CB 3.97Å; A114-V328 HydrophobicContact CB-CG1 3.68Å; A114-V328 HydrophobicContact CB-CG2 4.35Å
115	G	97.7	Very high	98	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	17.6	175.4	0	0	0	0	0	115.8	L111 K112 E113 E117	L111-G115 PolarHBondContact O-N 3.06Å; K112-G115 PolarHBondContact O-N 3.25Å; K112-G115 VanDerWaalsContact O-N 3.09Å; E113-G115 PolarHBondContact O-N 2.76Å; G115-E117 PolarHBondContact O-N 3.3Å
116	M	98.3	Very high	98	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.			trans	-64.4	130.5	172.4	-176.6	-179.2	62.8	0	0	111.7	P71 V74 L108 L111 I119 L148	P71-M116 VanDerWaalsContact O-CA 3.23Å; P71-M116 WeakPolarHBondContact O-CA 3.44Å; P71-M116 WeakPolarHBondContact O-CB 3.4Å; V74-M116 HydrophobicContact CB-SD 3.96Å; V74-M116 HydrophobicContact CG2-CG 4.22Å; V74-M116 HydrophobicContact CG2-SD 3.96Å; L108-M116 HydrophobicContact CD2-CE 4.32Å; L111-M116 HydrophobicContact CB-CB 4.03Å; L111-M116 HydrophobicContact CB-CE 3.64Å; L111-M116 HydrophobicContact CB-SD 3.77Å; L111-M116 HydrophobicContact CD1-CE 4.38Å; L111-M116 HydrophobicContact CD1-SD 4.07Å; L111-M116 WeakPolarHBondContact O-CB 3.5Å; L111-M116 PolarHBondContact O-N 3.09Å; M116-I119 HydrophobicContact CE-CB 4.5Å; M116-I119 HydrophobicContact SD-CB 4.17Å; M116-I119 HydrophobicContact SD-CD1 3.9Å; M116-L148 HydrophobicContact CE-CD1 3.67Å; M116-L148 HydrophobicContact CE-CD2 4.08Å; M116-L148 VanDerWaalsContact O-CD2 3.25Å; M116-L148 WeakPolarHBondContact O-CD2 3.37Å
117	E	98.2	Very high	98	Very high	74 Å²	74	25.7 Å²	25.7	35%	0.346	15%	0.146	S	C	.	.			trans	-111	-27.1	176.2	-66.6	179.7	-174.1	0	0	112	T72 G115 P149 S150 W351	T72-E117 HydrophobicContact CG2-CB 4.17Å; T72-E117 HydrophobicContact CG2-CG 4.24Å; T72-E117 PolarHBondContact O-N 3.12Å; G115-E117 PolarHBondContact O-N 3.3Å; E117-P149 HydrophobicContact CB-CG 4.06Å; E117-P149 HydrophobicContact CG-CG 4.45Å; E117-P149 WeakPolarHBondContact O-CD 3.4Å; E117-S150 PolarHBondContact O-N 3.36Å; E117-S150 VanDerWaalsContact O-N 3.16Å; E117-W351 HydrophobicContact CB-CZ2 4.27Å; E117-W351 WeakPolarHBondContact OE2-CZ2 3.49Å
118	K	98.5	Very high	97.9	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.7	-175.5	177.7	171.9	-171.6	-52.7	0	111.8	T72 S73 V74 S150 S152 W351	T72-K118 PolarHBondContact O-N 2.98Å; S73-K118 WeakPolarHBondContact CA-O 3.32Å; V74-K118 PolarHBondContact N-O 3.27Å; K118-S150 WeakPolarHBondContact CA-O 3.11Å; K118-S152 PolarHBondContact NZ-OG 3.31Å; K118-W351 HydrophobicContact CB-CD2 4.4Å; K118-W351 HydrophobicContact CD-CB 4.03Å; K118-W351 HydrophobicContact CD-CD2 3.76Å; K118-W351 HydrophobicContact CD-CE3 3.61Å; K118-W351 HydrophobicContact CD-CG 3.96Å; K118-W351 HydrophobicContact CD-CZ3 4.27Å
119	I	98.8	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140	169.6	-169.8	65.3	0	0	0	110.6	V74 L108 M116 F121 C142 L148 S150 V151 S152	V74-I119 HydrophobicContact CB-CD1 4.18Å; V74-I119 HydrophobicContact CG1-CD1 4.4Å; V74-I119 CarbonylContact O-C 3.58Å; L108-I119 HydrophobicContact CD2-CD1 3.87Å; L108-I119 HydrophobicContact CD2-CG1 4.01Å; M116-I119 HydrophobicContact CE-CB 4.5Å; M116-I119 HydrophobicContact SD-CB 4.17Å; M116-I119 HydrophobicContact SD-CD1 3.9Å; I119-F121 HydrophobicContact CG1-CE1 4.13Å; I119-F121 HydrophobicContact CG1-CE2 4.2Å; I119-F121 HydrophobicContact CG1-CZ 3.95Å; I119-F121 HydrophobicContact CG2-CE2 3.93Å; I119-F121 HydrophobicContact CG2-CZ 4.27Å; I119-C142 HydrophobicContact CG2-CB 4.17Å; I119-L148 HydrophobicContact CB-CD1 4.01Å; I119-L148 HydrophobicContact CG2-CD1 3.66Å; I119-S150 PolarHBondContact N-O 2.93Å; I119-V151 HydrophobicContact CG2-CB 4.24Å; I119-V151 HydrophobicContact CG2-CG1 3.97Å; I119-V151 HydrophobicContact CG2-CG2 4.05Å; I119-S152 PolarHBondContact O-N 3.16Å; I119-S152 PolarHBondContact O-OG 3.19Å
120	N	98.8	Very high	97.7	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.5	169	-177.3	57.2	0	0	0	109.8	V74 N75 Y76 S152 V154	V74-N120 PolarHBondContact O-N 2.8Å; N75-N120 CarbonylContact C-O 3.56Å; N75-N120 WeakPolarHBondContact CA-O 3.49Å; N75-N120 WeakPolarHBondContact OD1-CB 3.41Å; N75-N120 PolarHBondContact OD1-ND2 3.13Å; Y76-N120 PolarHBondContact N-O 3Å; N120-S152 CarbonylContact C-O 3.45Å; N120-S152 WeakPolarHBondContact CA-O 3.36Å; N120-S152 WeakPolarHBondContact CA-OG 3.44Å; N120-S152 WeakPolarHBondContact CB-OG 3.37Å; N120-S152 PolarHBondContact OD1-OG 2.77Å; N120-V154 WeakPolarHBondContact ND2-CG2 3.29Å
121	F	98.9	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.8	173.5	-64.5	-71.8	0	0	0	109.8	Y76 F78 L108 I119 L135 L138 V139 V151 S152 I153 V154	Y76-F121 HydrophobicContact CD1-CD1 4.03Å; Y76-F121 AromaticContact CD1-CE1 3.87Å; Y76-F121 HydrophobicContact CD1-CE1 3.87Å; F78-F121 HydrophobicContact CD1-CB 4.48Å; F78-F121 HydrophobicContact CD1-CD1 4.12Å; F78-F121 HydrophobicContact CE1-CB 4.12Å; F78-F121 HydrophobicContact CE1-CD1 4.35Å; L108-F121 HydrophobicContact CD1-CE1 4.41Å; L108-F121 HydrophobicContact CD1-CZ 4.35Å; I119-F121 HydrophobicContact CG1-CE1 4.13Å; I119-F121 HydrophobicContact CG1-CE2 4.2Å; I119-F121 HydrophobicContact CG1-CZ 3.95Å; I119-F121 HydrophobicContact CG2-CE2 3.93Å; I119-F121 HydrophobicContact CG2-CZ 4.27Å; F121-L135 HydrophobicContact CB-CD1 3.54Å; F121-L135 HydrophobicContact CD1-CD1 4.26Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CG-CD1 3.68Å; F121-L138 HydrophobicContact CD1-CD1 4.48Å; F121-L138 HydrophobicContact CE1-CB 3.88Å; F121-L138 HydrophobicContact CE1-CD1 3.85Å; F121-L138 HydrophobicContact CE2-CB 4.39Å; F121-L138 HydrophobicContact CZ-CB 3.67Å; F121-L138 HydrophobicContact CZ-CD1 4.48Å; F121-V139 HydrophobicContact CD2-CG2 3.85Å; F121-V139 HydrophobicContact CE2-CG2 3.86Å; F121-V151 HydrophobicContact CD2-CG1 4.26Å; F121-V151 HydrophobicContact CE2-CG1 3.85Å; F121-S152 PolarHBondContact N-O 3.09Å; F121-I153 HydrophobicContact CB-CG1 4.2Å; F121-I153 CarbonylContact O-C 3.59Å; F121-I153 WeakPolarHBondContact O-CA 3.39Å; F121-V154 PolarHBondContact O-N 3.01Å
122	S	97.7	Very high	97.7	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-160.2	-174.1	-178.1	0	0	0	0	108.5	Y76 H77	Y76-S122 PolarHBondContact O-N 3.14Å; H77-S122 WeakPolarHBondContact CA-O 3.46Å; H77-S122 WeakPolarHBondContact NE2-CB 3.43Å; H77-S122 PolarHBondContact NE2-OG 3.29Å
123	G	92.2	Very high	97.7	Very high	14 Å²	14	40.4 Å²	40.4	14%	0.144	21%	0.207	C	C	.	.	S	Bend	trans	130.3	-139.8	178.1	0	0	0	0	0	111.4	T79	T79-G123 CarbonylContact O-C 3.53Å; T79-G123 WeakPolarHBondContact O-CA 3.18Å
124	G	94.4	Very high	97.7	Very high	16 Å²	16	34.3 Å²	34.3	17%	0.165	18%	0.178	C	C	.	.	S	Bend	trans	-64.3	-99.6	163.3	0	0	0	0	0	110.6	T79 Q81	T79-G124 PolarHBondContact O-N 3.24Å; Q81-G124 CarbonylContact O-C 3.57Å; Q81-G124 VanDerWaalsContact O-CA 3.29Å; Q81-G124 WeakPolarHBondContact O-CA 3.36Å
125	E	98	Very high	97.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.163	C	C	.	.			trans	-120.7	106.6	169.8	176.2	46.2	-128.6	0	0	110.2	Q81 C82 N83 F127 L128 S155 N156 L159	Q81-E125 PolarHBondContact O-N 2.71Å; C82-E125 HydrophobicContact CB-CB 4.49Å; N83-E125 WeakPolarHBondContact OD1-CG 3.44Å; E125-F127 PolarHBondContact O-N 2.93Å; E125-F127 VanDerWaalsContact O-N 3.13Å; E125-F127 WeakPolarHBondContact OE1-CB 3.44Å; E125-F127 VanDerWaalsContact OE1-CD2 3.32Å; E125-F127 WeakPolarHBondContact OE1-CD2 3.39Å; E125-F127 PolarHBondContact OE1-N 3.45Å; E125-F127 VanDerWaalsContact OE1-N 3.07Å; E125-L128 HydrophobicContact CB-CB 4.34Å; E125-L128 HydrophobicContact CG-CB 4.45Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.03Å; E125-S155 VanDerWaalsContact CD-OG 3.25Å; E125-S155 PolarHBondContact OE1-OG 2.68Å; E125-S155 PolarHBondContact OE2-OG 3.44Å; E125-S155 VanDerWaalsContact OE2-OG 3.1Å; E125-N156 PolarHBondContact OE2-N 3.2Å; E125-N156 PolarHBondContact OE2-ND2 3.49Å; E125-N156 PolarHBondContact OE2-OD1 3.08Å; E125-L159 HydrophobicContact CG-CD1 3.95Å
126	P	98.4	Very high	97.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.7	-176.9	-32.2	39.6	0	0	0	115.2	F78 L128 L135 I153 V154	F78-P126 HydrophobicContact CE1-CB 3.76Å; F78-P126 HydrophobicContact CE1-CG 4.28Å; F78-P126 HydrophobicContact CZ-CB 3.65Å; F78-P126 HydrophobicContact CZ-CG 4.5Å; F78-P126 WeakPolarHBondContact CZ-O 3.44Å; P126-L128 PolarHBondContact O-N 3.16Å; P126-L135 HydrophobicContact CB-CD1 4.44Å; P126-L135 HydrophobicContact CB-CD2 3.63Å; P126-I153 HydrophobicContact CB-CG2 4.46Å; P126-V154 WeakPolarHBondContact CG-O 3.34Å
127	F	98.4	Very high	97.8	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.4	-179.4	-72.5	-96.7	0	0	0	113.9	E125 R131 G132 L135 I153 S155 L159 I160 W164 L175	E125-F127 PolarHBondContact O-N 2.93Å; E125-F127 VanDerWaalsContact O-N 3.13Å; E125-F127 WeakPolarHBondContact OE1-CB 3.44Å; E125-F127 VanDerWaalsContact OE1-CD2 3.32Å; E125-F127 WeakPolarHBondContact OE1-CD2 3.39Å; E125-F127 PolarHBondContact OE1-N 3.45Å; E125-F127 VanDerWaalsContact OE1-N 3.07Å; F127-R131 CarbonylContact O-C 3.32Å; F127-G132 PolarHBondContact O-N 3.26Å; F127-L135 HydrophobicContact CD1-CD2 4.32Å; F127-L135 HydrophobicContact CD2-CD2 3.92Å; F127-L135 HydrophobicContact CE1-CD2 4.2Å; F127-L135 HydrophobicContact CE2-CD2 3.8Å; F127-L135 HydrophobicContact CG-CD2 4.2Å; F127-L135 HydrophobicContact CZ-CD2 3.94Å; F127-I153 HydrophobicContact CE2-CD1 4.4Å; F127-I153 HydrophobicContact CE2-CG2 3.86Å; F127-I153 HydrophobicContact CZ-CD1 4.16Å; F127-S155 WeakPolarHBondContact CD2-OG 3.49Å; F127-L159 HydrophobicContact CB-CB 3.9Å; F127-I160 HydrophobicContact CD1-CB 4.42Å; F127-I160 HydrophobicContact CD1-CG1 3.9Å; F127-I160 HydrophobicContact CD2-CD1 4Å; F127-I160 HydrophobicContact CD2-CG1 3.65Å; F127-I160 HydrophobicContact CE1-CB 4.31Å; F127-I160 HydrophobicContact CE1-CD1 4.35Å; F127-I160 HydrophobicContact CE1-CG1 3.84Å; F127-I160 HydrophobicContact CE1-CG2 4Å; F127-I160 HydrophobicContact CE2-CD1 3.5Å; F127-I160 HydrophobicContact CE2-CG1 3.59Å; F127-I160 HydrophobicContact CG-CG1 3.79Å; F127-I160 HydrophobicContact CZ-CD1 3.71Å; F127-I160 HydrophobicContact CZ-CG1 3.7Å; F127-I160 HydrophobicContact CZ-CG2 4.21Å; F127-W164 HydrophobicContact CD1-CG 4.37Å; F127-W164 HydrophobicContact CE1-CB 4.45Å; F127-W164 AromaticContact CE1-CD1 3.86Å; F127-W164 AromaticContact CE1-CD2 3.53Å; F127-W164 HydrophobicContact CE1-CD2 3.53Å; F127-W164 AromaticContact CE1-CE2 3.63Å; F127-W164 HydrophobicContact CE1-CE3 4.02Å; F127-W164 AromaticContact CE1-CG 3.7Å; F127-W164 HydrophobicContact CE1-CG 3.7Å; F127-W164 HydrophobicContact CE1-CZ2 4.23Å; F127-W164 AromaticContact CE1-NE1 3.79Å; F127-W164 HydrophobicContact CZ-CD2 4.16Å; F127-W164 HydrophobicContact CZ-CE3 4.26Å; F127-W164 HydrophobicContact CZ-CH2 4.47Å; F127-W164 HydrophobicContact CZ-CZ2 4.33Å; F127-W164 HydrophobicContact CZ-CZ3 4.43Å; F127-L175 HydrophobicContact CE2-CD1 4.48Å
128	L	97.4	Very high	97.9	Very high	57 Å²	57	32.3 Å²	32.3	30%	0.298	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-50.1	-179.6	-168.9	77.7	0	0	0	112.2	Q81 N83 E125 P126 R131 L159	Q81-L128 HydrophobicContact CB-CD2 3.43Å; Q81-L128 VanDerWaalsContact CB-CD2 3.43Å; N83-L128 HydrophobicContact CB-CD1 4.26Å; E125-L128 HydrophobicContact CB-CB 4.34Å; E125-L128 HydrophobicContact CG-CB 4.45Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.03Å; P126-L128 PolarHBondContact O-N 3.16Å; L128-R131 PolarHBondContact O-N 2.6Å; L128-L159 HydrophobicContact CB-CD1 4.04Å; L128-L159 HydrophobicContact CD1-CD1 3.49Å; L128-L159 VanDerWaalsContact CD1-CD1 3.49Å; L128-L159 HydrophobicContact CG-CD1 4.38Å
129	H	97.6	Very high	97.9	Very high	45 Å²	45	31.8 Å²	31.8	21%	0.208	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-69.1	132.5	-173.6	-171.6	68.4	0	0	0	111.3	F78 R131 G132 Y134	F78-H129 HydrophobicContact CE2-CB 4.46Å; H129-R131 PolarHBondContact O-N 2.89Å; H129-G132 PolarHBondContact O-N 3.01Å; H129-Y134 AromaticContact CD2-CD1 3.95Å; H129-Y134 AromaticContact CD2-CD2 3.81Å; H129-Y134 AromaticContact CD2-CG 3.53Å; H129-Y134 AromaticContact NE2-CD2 3.94Å
130	D	97.2	Very high	97.9	Very high	96 Å²	96	35.9 Å²	35.9	51%	0.513	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	44.6	35.6	-174.2	-68.3	-12.4	0	0	0	113.7	G132 E133	D130-G132 PolarHBondContact O-N 3.47Å; D130-G132 VanDerWaalsContact O-N 3.11Å; D130-E133 WeakPolarHBondContact O-CB 3.37Å; D130-E133 PolarHBondContact O-N 3.29Å
131	R	97.5	Very high	97.9	Very high	233 Å²	233	37 Å²	37	88%	0.879	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	54.2	30.7	-178.8	-54.4	172.1	61.9	-178.4	0.4	113.2	F127 L128 H129	F127-R131 CarbonylContact O-C 3.32Å; L128-R131 PolarHBondContact O-N 2.6Å; H129-R131 PolarHBondContact O-N 2.89Å
132	G	98.3	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	87.8	-5.2	179.4	0	0	0	0	0	115.3	F127 H129 D130 L135 G136 W164	F127-G132 PolarHBondContact O-N 3.26Å; H129-G132 PolarHBondContact O-N 3.01Å; D130-G132 PolarHBondContact O-N 3.47Å; D130-G132 VanDerWaalsContact O-N 3.11Å; G132-L135 PolarHBondContact O-N 3.07Å; G132-G136 PolarHBondContact O-N 2.83Å; G132-W164 PolarHBondContact O-NE1 3.1Å
133	E	98.6	Very high	97.9	Very high	69 Å²	69	38.6 Å²	38.6	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-69	-38.4	179.8	-70.7	-69	123.7	0	0	111.9	D130 L135 G136 K137 Y168	D130-E133 WeakPolarHBondContact O-CB 3.37Å; D130-E133 PolarHBondContact O-N 3.29Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.21Å; E133-G136 PolarHBondContact O-N 3.02Å; E133-K137 VanDerWaalsContact O-CG 3.32Å; E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 2.68Å; E133-Y168 PolarHBondContact OE2-OH 3.04Å
134	Y	98.8	Very high	98.2	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-49.2	173.9	179.8	-87.9	0	0	0	111.2	F78 V98 L99 L101 A104 H129 G136 K137 L138	F78-Y134 HydrophobicContact CD2-CD1 4.07Å; F78-Y134 AromaticContact CD2-CE1 3.76Å; F78-Y134 HydrophobicContact CD2-CE1 3.76Å; F78-Y134 AromaticContact CE2-CD1 3.95Å; F78-Y134 HydrophobicContact CE2-CD1 3.95Å; F78-Y134 HydrophobicContact CE2-CE1 4.14Å; F78-Y134 HydrophobicContact CG-CE1 4.29Å; V98-Y134 HydrophobicContact CG1-CE1 4.05Å; V98-Y134 HydrophobicContact CG1-CE2 4.35Å; L99-Y134 WeakPolarHBondContact O-CE2 3.19Å; L99-Y134 PolarHBondContact O-OH 3.37Å; L101-Y134 HydrophobicContact CB-CD2 4.18Å; L101-Y134 HydrophobicContact CB-CE2 3.82Å; L101-Y134 HydrophobicContact CD1-CD2 3.91Å; L101-Y134 HydrophobicContact CD1-CE2 3.81Å; L101-Y134 HydrophobicContact CD1-CG 4.45Å; L101-Y134 HydrophobicContact CG-CE2 4.45Å; A104-Y134 WeakPolarHBondContact CB-OH 3.29Å; H129-Y134 AromaticContact CD2-CD1 3.95Å; H129-Y134 AromaticContact CD2-CD2 3.81Å; H129-Y134 AromaticContact CD2-CG 3.53Å; H129-Y134 AromaticContact NE2-CD2 3.94Å; Y134-G136 PolarHBondContact O-N 3.3Å; Y134-K137 PolarHBondContact O-N 2.92Å; Y134-L138 HydrophobicContact CD1-CD1 3.97Å; Y134-L138 HydrophobicContact CD1-CG 4.45Å; Y134-L138 HydrophobicContact CE1-CD1 3.34Å; Y134-L138 HydrophobicContact CE1-CG 4.13Å; Y134-L138 PolarHBondContact O-N 3.3Å; Y134-L138 VanDerWaalsContact O-N 3.13Å
135	L	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-46.7	176	176	61.6	0	0	0	111.7	F78 F121 P126 F127 G132 E133 K137 L138 V139 I153 W164	F78-L135 HydrophobicContact CE1-CD1 3.89Å; F78-L135 HydrophobicContact CZ-CB 4.26Å; F78-L135 HydrophobicContact CZ-CD1 4.11Å; F121-L135 HydrophobicContact CB-CD1 3.54Å; F121-L135 HydrophobicContact CD1-CD1 4.26Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CG-CD1 3.68Å; P126-L135 HydrophobicContact CB-CD1 4.44Å; P126-L135 HydrophobicContact CB-CD2 3.63Å; F127-L135 HydrophobicContact CD1-CD2 4.32Å; F127-L135 HydrophobicContact CD2-CD2 3.92Å; F127-L135 HydrophobicContact CE1-CD2 4.2Å; F127-L135 HydrophobicContact CE2-CD2 3.8Å; F127-L135 HydrophobicContact CG-CD2 4.2Å; F127-L135 HydrophobicContact CZ-CD2 3.94Å; G132-L135 PolarHBondContact O-N 3.07Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.21Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.84Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-V139 HydrophobicContact CD1-CG2 4.12Å; L135-V139 HydrophobicContact CG-CG2 4.37Å; L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3.49Å; L135-I153 HydrophobicContact CD1-CD1 4.25Å; L135-I153 HydrophobicContact CD1-CG1 4.23Å; L135-I153 HydrophobicContact CD2-CD1 3.79Å; L135-I153 HydrophobicContact CD2-CG1 4.31Å; L135-I153 HydrophobicContact CD2-CG2 4.37Å; L135-I153 HydrophobicContact CG-CD1 4.11Å; L135-W164 HydrophobicContact CD2-CZ2 4.35Å; L135-W164 HydrophobicContact CG-CZ2 4.18Å
136	G	98.9	Very high	98.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-42	179	0	0	0	0	0	112.9	G132 E133 Y134 V139 K140 Y168	G132-G136 PolarHBondContact O-N 2.83Å; E133-G136 PolarHBondContact O-N 3.02Å; Y134-G136 PolarHBondContact O-N 3.3Å; G136-V139 PolarHBondContact O-N 3.29Å; G136-K140 WeakPolarHBondContact O-CB 3.35Å; G136-K140 PolarHBondContact O-N 2.92Å; G136-Y168 VanDerWaalsContact C-CE1 3.42Å; G136-Y168 VanDerWaalsContact O-CD1 3.3Å; G136-Y168 WeakPolarHBondContact O-CD1 3.38Å
137	K	98.9	Very high	98.5	Very high	97 Å²	97	53.5 Å²	53.5	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-40.7	175.6	-70	171.5	-172.1	174.6	0	112.5	L101 E133 Y134 L135 F141	L101-K137 HydrophobicContact CD1-CB 4.05Å; L101-K137 HydrophobicContact CD2-CB 4.06Å; L101-K137 HydrophobicContact CD2-CD 3.56Å; L101-K137 HydrophobicContact CD2-CG 4.41Å; E133-K137 VanDerWaalsContact O-CG 3.32Å; E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 2.68Å; Y134-K137 PolarHBondContact O-N 2.92Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.84Å; K137-F141 VanDerWaalsContact O-CB 3.3Å; K137-F141 WeakPolarHBondContact O-CB 3.32Å; K137-F141 PolarHBondContact O-N 2.99Å
138	L	98.9	Very high	98.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-42.5	175.3	-68.9	-175.2	0	0	0	112.2	Y76 L101 A104 K105 L108 F121 Y134 L135 K140 F141 C142	Y76-L138 HydrophobicContact CE1-CD1 4.33Å; L101-L138 HydrophobicContact CD1-CD2 3.55Å; L101-L138 HydrophobicContact CD1-CG 3.83Å; A104-L138 HydrophobicContact CB-CD1 4.37Å; A104-L138 HydrophobicContact CB-CD2 4.08Å; K105-L138 HydrophobicContact CG-CD2 4.12Å; L108-L138 HydrophobicContact CD1-CD2 3.84Å; F121-L138 HydrophobicContact CD1-CD1 4.48Å; F121-L138 HydrophobicContact CE1-CB 3.88Å; F121-L138 HydrophobicContact CE1-CD1 3.85Å; F121-L138 HydrophobicContact CE2-CB 4.39Å; F121-L138 HydrophobicContact CZ-CB 3.67Å; F121-L138 HydrophobicContact CZ-CD1 4.48Å; Y134-L138 HydrophobicContact CD1-CD1 3.97Å; Y134-L138 HydrophobicContact CD1-CG 4.45Å; Y134-L138 HydrophobicContact CE1-CD1 3.34Å; Y134-L138 HydrophobicContact CE1-CG 4.13Å; Y134-L138 PolarHBondContact O-N 3.3Å; Y134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.43Å; L138-K140 PolarHBondContact O-N 3.28Å; L138-F141 PolarHBondContact O-N 3.27Å; L138-C142 WeakPolarHBondContact O-CB 3.41Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 3.07Å; L138-C142 VanDerWaalsContact O-SG 3.41Å
139	V	98.9	Very high	98.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-49	175.8	166.4	0	0	0	0	110.7	F121 L135 G136 C142 K143 V151 I153 W164 L172	F121-V139 HydrophobicContact CD2-CG2 3.85Å; F121-V139 HydrophobicContact CE2-CG2 3.86Å; L135-V139 HydrophobicContact CD1-CG2 4.12Å; L135-V139 HydrophobicContact CG-CG2 4.37Å; L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3.49Å; G136-V139 PolarHBondContact O-N 3.29Å; V139-C142 PolarHBondContact O-N 3.47Å; V139-K143 PolarHBondContact O-N 2.88Å; V139-K143 VanDerWaalsContact O-N 3.1Å; V139-V151 HydrophobicContact CB-CG1 4.2Å; V139-V151 HydrophobicContact CG1-CG1 3.94Å; V139-V151 HydrophobicContact CG2-CG1 4.03Å; V139-I153 HydrophobicContact CG2-CD1 4Å; V139-I153 HydrophobicContact CG2-CG1 4.36Å; V139-W164 HydrophobicContact CG1-CH2 4.49Å; V139-W164 HydrophobicContact CG2-CH2 4.36Å; V139-W164 HydrophobicContact CG2-CZ2 4.3Å; V139-L172 HydrophobicContact CG1-CB 4.27Å; V139-L172 HydrophobicContact CG1-CD1 4.39Å
140	K	98.9	Very high	98.6	Very high	86 Å²	86	51 Å²	51	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-52.1	176.2	-178.7	169.8	-179.2	153.4	0	111.2	G136 L138 C142 K143 T144 Y171	G136-K140 WeakPolarHBondContact O-CB 3.35Å; G136-K140 PolarHBondContact O-N 2.92Å; L138-K140 PolarHBondContact O-N 3.28Å; K140-C142 VanDerWaalsContact C-N 3.33Å; K140-C142 PolarHBondContact O-N 3.02Å; K140-K143 PolarHBondContact O-N 2.9Å; K140-K143 VanDerWaalsContact O-N 3.1Å; K140-T144 HydrophobicContact CG-CG2 4.12Å; K140-T144 PolarHBondContact O-N 3.21Å; K140-T144 PolarHBondContact O-OG1 3.4Å; K140-Y171 HydrophobicContact CB-CD2 3.82Å; K140-Y171 HydrophobicContact CB-CE2 4.06Å; K140-Y171 HydrophobicContact CB-CG 4.22Å; K140-Y171 HydrophobicContact CD-CD2 4.32Å; K140-Y171 HydrophobicContact CD-CE1 4.48Å; K140-Y171 HydrophobicContact CD-CE2 3.68Å; K140-Y171 HydrophobicContact CG-CD1 4.35Å; K140-Y171 HydrophobicContact CG-CD2 3.97Å; K140-Y171 HydrophobicContact CG-CE1 4.18Å; K140-Y171 HydrophobicContact CG-CE2 3.79Å; K140-Y171 HydrophobicContact CG-CG 4.27Å; K140-Y171 PolarHBondContact NZ-OH 3.24Å; K140-Y171 VanDerWaalsContact NZ-OH 3.09Å
141	F	98.9	Very high	98.6	Very high	34 Å²	34	46.5 Å²	46.5	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-53.9	-48	178.6	174.5	-105.2	0	0	0	112.5	K105 L108 K137 L138 K143 E145 L146	K105-F141 HydrophobicContact CB-CD1 4.11Å; K105-F141 HydrophobicContact CB-CE1 3.69Å; K105-F141 HydrophobicContact CB-CE2 4.25Å; K105-F141 HydrophobicContact CB-CZ 3.79Å; K105-F141 HydrophobicContact CD-CD2 3.99Å; K105-F141 HydrophobicContact CD-CE2 4.2Å; K105-F141 HydrophobicContact CD-CG 4.17Å; K105-F141 HydrophobicContact CG-CB 4.49Å; K105-F141 HydrophobicContact CG-CD1 3.73Å; K105-F141 HydrophobicContact CG-CD2 4.08Å; K105-F141 HydrophobicContact CG-CE1 3.85Å; K105-F141 HydrophobicContact CG-CE2 4.23Å; K105-F141 HydrophobicContact CG-CG 3.83Å; K105-F141 HydrophobicContact CG-CZ 4.12Å; L108-F141 HydrophobicContact CB-CE1 4.14Å; L108-F141 HydrophobicContact CD1-CD1 4.35Å; K137-F141 VanDerWaalsContact O-CB 3.3Å; K137-F141 WeakPolarHBondContact O-CB 3.32Å; K137-F141 PolarHBondContact O-N 2.99Å; L138-F141 PolarHBondContact O-N 3.27Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 3.29Å; F141-E145 HydrophobicContact CD2-CB 3.7Å; F141-E145 HydrophobicContact CD2-CG 3.59Å; F141-E145 HydrophobicContact CE2-CB 3.76Å; F141-E145 HydrophobicContact CE2-CG 3.99Å; F141-E145 WeakPolarHBondContact O-CB 3.24Å; F141-E145 PolarHBondContact O-N 2.92Å; F141-L146 HydrophobicContact CD1-CD1 4.07Å; F141-L146 HydrophobicContact CD1-CG 4.14Å; F141-L146 HydrophobicContact CE1-CD1 3.57Å; F141-L146 HydrophobicContact CE1-CD2 3.96Å; F141-L146 HydrophobicContact CE1-CG 3.67Å; F141-L146 HydrophobicContact CZ-CD1 4.26Å; F141-L146 HydrophobicContact CZ-CD2 3.77Å; F141-L146 HydrophobicContact CZ-CG 3.93Å; F141-L146 PolarHBondContact O-N 3.25Å; F141-L146 VanDerWaalsContact O-N 3.11Å
142	C	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-36.9	178.3	-79.4	0	0	0	0	113.3	I119 L138 V139 K140 Q147 L148 V151	I119-C142 HydrophobicContact CG2-CB 4.17Å; L138-C142 WeakPolarHBondContact O-CB 3.41Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 3.07Å; L138-C142 VanDerWaalsContact O-SG 3.41Å; V139-C142 PolarHBondContact O-N 3.47Å; K140-C142 VanDerWaalsContact C-N 3.33Å; K140-C142 PolarHBondContact O-N 3.02Å; C142-Q147 PolarHBondContact O-N 3.02Å; C142-L148 HydrophobicContact CB-CD1 3.84Å; C142-L148 WeakPolarHBondContact O-CB 3.32Å; C142-L148 WeakPolarHBondContact O-CG 3.36Å; C142-L148 PolarHBondContact O-N 3.39Å; C142-V151 HydrophobicContact CB-CG1 4.42Å; C142-V151 HydrophobicContact CB-CG2 3.69Å
143	K	98.6	Very high	98.7	Very high	50 Å²	50	35.5 Å²	35.5	22%	0.217	17%	0.17	C	C	.	.	H	α-helix	trans	-84.5	-39.3	-177.6	-160.4	70.4	-178.6	178.9	0	113.1	V139 K140 F141 Q147 L148 P149 V151 Y171 D173	V139-K143 PolarHBondContact O-N 2.88Å; V139-K143 VanDerWaalsContact O-N 3.1Å; K140-K143 PolarHBondContact O-N 2.9Å; K140-K143 VanDerWaalsContact O-N 3.1Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 3.29Å; K143-Q147 WeakPolarHBondContact O-CA 3.38Å; K143-L148 PolarHBondContact NZ-O 3.48Å; K143-P149 PolarHBondContact NZ-O 2.97Å; K143-V151 HydrophobicContact CB-CG2 4.15Å; K143-V151 HydrophobicContact CD-CG2 3.95Å; K143-Y171 WeakPolarHBondContact CD-O 3.35Å; K143-Y171 WeakPolarHBondContact CG-O 3.13Å; K143-D173 VanDerWaalsContact NZ-CG 3.3Å; K143-D173 IonicContact NZ-OD1 3.18Å; K143-D173 PolarHBondContact NZ-OD1 3.4Å; K143-D173 VanDerWaalsContact NZ-OD1 3.07Å; K143-D173 IonicContact NZ-OD2 3.97Å; K143-D173 PolarHBondContact NZ-OD2 3.5Å
144	T	98.5	Very high	98.7	Very high	49 Å²	49	33.2 Å²	33.2	30%	0.301	16%	0.161	S	C	.	.	H	α-helix	trans	-91.4	-51.1	-173.9	64	0	0	0	0	112.5	K140 Q147 Y171	K140-T144 HydrophobicContact CG-CG2 4.12Å; K140-T144 PolarHBondContact O-N 3.21Å; K140-T144 PolarHBondContact O-OG1 3.4Å; T144-Q147 WeakPolarHBondContact O-CG 3.35Å; T144-Y171 HydrophobicContact CG2-CD1 3.65Å; T144-Y171 HydrophobicContact CG2-CE1 3.6Å
145	E	98.6	Very high	98.7	Very high	133 Å²	133	33 Å²	33	62%	0.621	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-47.3	-174.5	-53.3	-56.8	149.6	0	0	111.2	F141	F141-E145 HydrophobicContact CD2-CB 3.7Å; F141-E145 HydrophobicContact CD2-CG 3.59Å; F141-E145 HydrophobicContact CE2-CB 3.76Å; F141-E145 HydrophobicContact CE2-CG 3.99Å; F141-E145 WeakPolarHBondContact O-CB 3.24Å; F141-E145 PolarHBondContact O-N 2.92Å
146	L	98.6	Very high	98.7	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.068	16%	0.163	C	C	.	.	S	Bend	trans	-84.3	-13.1	-179.7	-57.5	-173.1	0	0	0	113.6	L108 L109 K112 F141 L148	L108-L146 HydrophobicContact CB-CD1 3.88Å; L109-L146 HydrophobicContact CB-CD2 4.29Å; L109-L146 HydrophobicContact CD1-CD2 3.75Å; K112-L146 HydrophobicContact CB-CD1 4.28Å; K112-L146 HydrophobicContact CB-CD2 4.38Å; K112-L146 HydrophobicContact CD-CB 4.35Å; K112-L146 WeakPolarHBondContact CD-O 3.3Å; K112-L146 WeakPolarHBondContact CE-O 3.47Å; K112-L146 HydrophobicContact CG-CB 4.34Å; K112-L146 HydrophobicContact CG-CD2 4.44Å; F141-L146 HydrophobicContact CD1-CD1 4.07Å; F141-L146 HydrophobicContact CD1-CG 4.14Å; F141-L146 HydrophobicContact CE1-CD1 3.57Å; F141-L146 HydrophobicContact CE1-CD2 3.96Å; F141-L146 HydrophobicContact CE1-CG 3.67Å; F141-L146 HydrophobicContact CZ-CD1 4.26Å; F141-L146 HydrophobicContact CZ-CD2 3.77Å; F141-L146 HydrophobicContact CZ-CG 3.93Å; F141-L146 PolarHBondContact O-N 3.25Å; F141-L146 VanDerWaalsContact O-N 3.11Å; L146-L148 HydrophobicContact CB-CG 4.1Å; L146-L148 PolarHBondContact O-N 2.98Å
147	Q	98.5	Very high	98.6	Very high	151 Å²	151	33.4 Å²	33.4	71%	0.706	16%	0.163	S	C	*	.			trans	50.5	41.7	-179.7	-58	177	20.1	0	0	112.8	C142 K143 T144 P149	C142-Q147 PolarHBondContact O-N 3.02Å; K143-Q147 WeakPolarHBondContact O-CA 3.38Å; T144-Q147 WeakPolarHBondContact O-CG 3.35Å; Q147-P149 WeakPolarHBondContact O-CD 3.48Å
148	L	98.6	Very high	98.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.145	C	C	.	.			trans	-63.8	133.1	179.3	-67.8	-179.6	0	0	0	110.7	K112 M116 I119 C142 K143 L146 S150 V151	K112-L148 HydrophobicContact CD-CD2 3.42Å; K112-L148 VanDerWaalsContact CD-CD2 3.42Å; K112-L148 HydrophobicContact CD-CG 4.49Å; M116-L148 HydrophobicContact CE-CD1 3.67Å; M116-L148 HydrophobicContact CE-CD2 4.08Å; M116-L148 VanDerWaalsContact O-CD2 3.25Å; M116-L148 WeakPolarHBondContact O-CD2 3.37Å; I119-L148 HydrophobicContact CB-CD1 4.01Å; I119-L148 HydrophobicContact CG2-CD1 3.66Å; C142-L148 HydrophobicContact CB-CD1 3.84Å; C142-L148 WeakPolarHBondContact O-CB 3.32Å; C142-L148 WeakPolarHBondContact O-CG 3.36Å; C142-L148 PolarHBondContact O-N 3.39Å; K143-L148 PolarHBondContact NZ-O 3.48Å; L146-L148 HydrophobicContact CB-CG 4.1Å; L146-L148 PolarHBondContact O-N 2.98Å; L148-S150 PolarHBondContact O-N 2.94Å; L148-V151 HydrophobicContact CB-CG2 4.3Å
149	P	98.3	Very high	98.3	Very high	53 Å²	53	31.1 Å²	31.1	34%	0.344	16%	0.155	S	C	.	.	S	Bend	trans	-49.1	-39.9	170.5	-32.1	34.4	0	0	0	113.6	E117 K143 Q147 S352	E117-P149 HydrophobicContact CB-CG 4.06Å; E117-P149 HydrophobicContact CG-CG 4.45Å; E117-P149 WeakPolarHBondContact O-CD 3.4Å; K143-P149 PolarHBondContact NZ-O 2.97Å; Q147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-S352 WeakPolarHBondContact O-CB 3.48Å
150	S	98.6	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.1	-178.7	-177.6	0	0	0	0	114.3	E117 K118 I119 L148 D173 W351	E117-S150 PolarHBondContact O-N 3.36Å; E117-S150 VanDerWaalsContact O-N 3.16Å; K118-S150 WeakPolarHBondContact CA-O 3.11Å; I119-S150 PolarHBondContact N-O 2.93Å; L148-S150 PolarHBondContact O-N 2.94Å; S150-D173 WeakPolarHBondContact CA-OD2 3.18Å; S150-W351 VanDerWaalsContact CB-O 3.27Å; S150-W351 WeakPolarHBondContact CB-O 3.34Å; S150-W351 PolarHBondContact OG-O 3.3Å
151	V	98.8	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.8	170.2	-175.2	0	0	0	0	108.9	I119 F121 V139 C142 K143 L148 L172 D173 I174	I119-V151 HydrophobicContact CG2-CB 4.24Å; I119-V151 HydrophobicContact CG2-CG1 3.97Å; I119-V151 HydrophobicContact CG2-CG2 4.05Å; F121-V151 HydrophobicContact CD2-CG1 4.26Å; F121-V151 HydrophobicContact CE2-CG1 3.85Å; V139-V151 HydrophobicContact CB-CG1 4.2Å; V139-V151 HydrophobicContact CG1-CG1 3.94Å; V139-V151 HydrophobicContact CG2-CG1 4.03Å; C142-V151 HydrophobicContact CB-CG1 4.42Å; C142-V151 HydrophobicContact CB-CG2 3.69Å; K143-V151 HydrophobicContact CB-CG2 4.15Å; K143-V151 HydrophobicContact CD-CG2 3.95Å; L148-V151 HydrophobicContact CB-CG2 4.3Å; V151-L172 HydrophobicContact CG1-CD1 4.49Å; V151-L172 WeakPolarHBondContact O-CD1 3.39Å; V151-D173 PolarHBondContact N-OD2 3.34Å; V151-D173 WeakPolarHBondContact O-CB 3.38Å; V151-D173 PolarHBondContact O-N 2.79Å; V151-I174 PolarHBondContact O-N 3.01Å
152	S	98.9	Very high	98.2	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158	-175.6	54.3	0	0	0	0	112.6	K118 I119 N120 F121 I174	K118-S152 PolarHBondContact NZ-OG 3.31Å; I119-S152 PolarHBondContact O-N 3.16Å; I119-S152 PolarHBondContact O-OG 3.19Å; N120-S152 CarbonylContact C-O 3.45Å; N120-S152 WeakPolarHBondContact CA-O 3.36Å; N120-S152 WeakPolarHBondContact CA-OG 3.44Å; N120-S152 WeakPolarHBondContact CB-OG 3.37Å; N120-S152 PolarHBondContact OD1-OG 2.77Å; F121-S152 PolarHBondContact N-O 3.09Å; S152-I174 CarbonylContact C-O 3.57Å; S152-I174 WeakPolarHBondContact CA-O 3.34Å; S152-I174 WeakPolarHBondContact CB-O 3.43Å
153	I	98.9	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.2	176.3	-64.2	162.7	0	0	0	109.7	F121 P126 F127 L135 V139 W164 L172 I174 L175 A176	F121-I153 HydrophobicContact CB-CG1 4.2Å; F121-I153 CarbonylContact O-C 3.59Å; F121-I153 WeakPolarHBondContact O-CA 3.39Å; P126-I153 HydrophobicContact CB-CG2 4.46Å; F127-I153 HydrophobicContact CE2-CD1 4.4Å; F127-I153 HydrophobicContact CE2-CG2 3.86Å; F127-I153 HydrophobicContact CZ-CD1 4.16Å; L135-I153 HydrophobicContact CD1-CD1 4.25Å; L135-I153 HydrophobicContact CD1-CG1 4.23Å; L135-I153 HydrophobicContact CD2-CD1 3.79Å; L135-I153 HydrophobicContact CD2-CG1 4.31Å; L135-I153 HydrophobicContact CD2-CG2 4.37Å; L135-I153 HydrophobicContact CG-CD1 4.11Å; V139-I153 HydrophobicContact CG2-CD1 4Å; V139-I153 HydrophobicContact CG2-CG1 4.36Å; I153-W164 HydrophobicContact CD1-CH2 3.47Å; I153-W164 VanDerWaalsContact CD1-CH2 3.47Å; I153-W164 HydrophobicContact CD1-CZ2 3.85Å; I153-W164 HydrophobicContact CD1-CZ3 4.33Å; I153-L172 HydrophobicContact CB-CD1 4.48Å; I153-L172 HydrophobicContact CD1-CD1 3.7Å; I153-L172 HydrophobicContact CD1-CD2 3.94Å; I153-L172 HydrophobicContact CD1-CG 4.5Å; I153-L172 HydrophobicContact CG1-CD1 3.83Å; I153-I174 PolarHBondContact N-O 3.47Å; I153-L175 HydrophobicContact CB-CD1 4Å; I153-L175 HydrophobicContact CG2-CD1 4.06Å; I153-A176 WeakPolarHBondContact O-CA 3.28Å; I153-A176 WeakPolarHBondContact O-CB 3.44Å; I153-A176 PolarHBondContact O-N 3.05Å
154	V	98.8	Very high	98.2	Very high	20 Å²	20	42.5 Å²	42.5	12%	0.121	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.5	162	177.9	0	0	0	0	108.8	N120 F121 P126 A176	N120-V154 WeakPolarHBondContact ND2-CG2 3.29Å; F121-V154 PolarHBondContact O-N 3.01Å; P126-V154 WeakPolarHBondContact CG-O 3.34Å; V154-A176 WeakPolarHBondContact CA-O 3.4Å; V154-A176 HydrophobicContact CB-CB 4.47Å; V154-A176 HydrophobicContact CG2-CB 3.88Å
155	S	98.6	Very high	98.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.7	-177.9	171.4	0	0	0	0	111.5	E125 F127 G157 A176 V177 S178	E125-S155 VanDerWaalsContact CD-OG 3.25Å; E125-S155 PolarHBondContact OE1-OG 2.68Å; E125-S155 PolarHBondContact OE2-OG 3.44Å; E125-S155 VanDerWaalsContact OE2-OG 3.1Å; F127-S155 WeakPolarHBondContact CD2-OG 3.49Å; S155-G157 PolarHBondContact OG-N 3.15Å; S155-A176 PolarHBondContact N-O 2.96Å; S155-V177 WeakPolarHBondContact O-CA 3.27Å; S155-S178 PolarHBondContact O-N 2.91Å
156	N	97.4	Very high	98.2	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	18%	0.179	C	C	.	.			trans	-76.4	-10.5	167	72.6	38.4	0	0	0	112.7	N83 Y84 E125 S158 H199	N83-N156 PolarHBondContact OD1-ND2 3.01Å; Y84-N156 HydrophobicContact CD2-CB 3.9Å; Y84-N156 HydrophobicContact CE2-CB 4Å; Y84-N156 HydrophobicContact CG-CB 4.33Å; E125-N156 PolarHBondContact OE2-N 3.2Å; E125-N156 PolarHBondContact OE2-ND2 3.49Å; E125-N156 PolarHBondContact OE2-OD1 3.08Å; N156-S158 VanDerWaalsContact C-N 3.27Å; N156-S158 PolarHBondContact O-N 3.07Å; N156-S158 VanDerWaalsContact OD1-CB 3.24Å; N156-S158 WeakPolarHBondContact OD1-CB 3.22Å; N156-S158 PolarHBondContact OD1-N 3.43Å; N156-S158 PolarHBondContact OD1-OG 2.86Å; N156-H199 PolarHBondContact O-CE1 2.73Å
157	G	96.9	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	81.4	-11.6	173.7	0	0	0	0	0	116	S155 L159 I160 N202 L206	S155-G157 PolarHBondContact OG-N 3.15Å; G157-L159 VanDerWaalsContact C-N 3.31Å; G157-L159 PolarHBondContact O-N 3.48Å; G157-I160 PolarHBondContact O-N 3.3Å; G157-N202 VanDerWaalsContact C-ND2 3.26Å; G157-N202 PolarHBondContact O-ND2 3Å; G157-L206 VanDerWaalsContact CA-CD1 3.49Å
158	S	95.7	Very high	98.2	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.9	-167.6	65.4	0	0	0	0	115.1	N83 N156	N83-S158 PolarHBondContact ND2-OG 3.23Å; N156-S158 VanDerWaalsContact C-N 3.27Å; N156-S158 PolarHBondContact O-N 3.07Å; N156-S158 VanDerWaalsContact OD1-CB 3.24Å; N156-S158 WeakPolarHBondContact OD1-CB 3.22Å; N156-S158 PolarHBondContact OD1-N 3.43Å; N156-S158 PolarHBondContact OD1-OG 2.86Å
159	L	96.6	Very high	98.2	Very high	42 Å²	42	35.4 Å²	35.4	22%	0.22	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-7.1	-177.5	-61.5	-178.2	0	0	0	113.5	E125 F127 L128 G157 R161	E125-L159 HydrophobicContact CG-CD1 3.95Å; F127-L159 HydrophobicContact CB-CB 3.9Å; L128-L159 HydrophobicContact CB-CD1 4.04Å; L128-L159 HydrophobicContact CD1-CD1 3.49Å; L128-L159 VanDerWaalsContact CD1-CD1 3.49Å; L128-L159 HydrophobicContact CG-CD1 4.38Å; G157-L159 VanDerWaalsContact C-N 3.31Å; G157-L159 PolarHBondContact O-N 3.48Å; L159-R161 PolarHBondContact O-N 3.46Å
160	I	97.8	Very high	98.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	17%	0.173	C	C	.	.			trans	-68	132.2	-178.5	-51	-176.3	0	0	0	109.4	F127 G157 F165 L175 L206 W209	F127-I160 HydrophobicContact CD1-CB 4.42Å; F127-I160 HydrophobicContact CD1-CG1 3.9Å; F127-I160 HydrophobicContact CD2-CD1 4Å; F127-I160 HydrophobicContact CD2-CG1 3.65Å; F127-I160 HydrophobicContact CE1-CB 4.31Å; F127-I160 HydrophobicContact CE1-CD1 4.35Å; F127-I160 HydrophobicContact CE1-CG1 3.84Å; F127-I160 HydrophobicContact CE1-CG2 4Å; F127-I160 HydrophobicContact CE2-CD1 3.5Å; F127-I160 HydrophobicContact CE2-CG1 3.59Å; F127-I160 HydrophobicContact CG-CG1 3.79Å; F127-I160 HydrophobicContact CZ-CD1 3.71Å; F127-I160 HydrophobicContact CZ-CG1 3.7Å; F127-I160 HydrophobicContact CZ-CG2 4.21Å; G157-I160 PolarHBondContact O-N 3.3Å; I160-F165 HydrophobicContact CG2-CD2 4.15Å; I160-F165 HydrophobicContact CG2-CE2 3.62Å; I160-L175 HydrophobicContact CD1-CD1 4.11Å; I160-L175 HydrophobicContact CD1-CD2 3.95Å; I160-L206 HydrophobicContact CB-CD2 3.77Å; I160-L206 HydrophobicContact CD1-CD1 4.11Å; I160-L206 HydrophobicContact CD1-CD2 4.11Å; I160-L206 HydrophobicContact CG1-CD2 4.45Å; I160-L206 HydrophobicContact CG2-CD2 3.8Å; I160-W209 HydrophobicContact CG2-CZ3 4.38Å
161	R	97.8	Very high	98.2	Very high	148 Å²	148	40.1 Å²	40.1	56%	0.558	18%	0.178	S	C	*	.			trans	-119.8	148.3	177.5	-54.2	-58.4	177.7	167.2	4.4	109.1	L159 R163 W164	L159-R161 PolarHBondContact O-N 3.46Å; R161-R163 PolarHBondContact O-N 3.19Å; R161-W164 VanDerWaalsContact O-CB 3.26Å; R161-W164 WeakPolarHBondContact O-CB 3.48Å; R161-W164 PolarHBondContact O-N 2.89Å
162	E	98.5	Very high	98.2	Very high	76 Å²	76	40.1 Å²	40.1	36%	0.355	18%	0.178	S	C	.	.	H	α-helix	trans	-56.4	-36.3	179.7	-165.3	176	169.5	0	0	112.9	W164 F165 Q166 W209 Y213	E162-W164 PolarHBondContact O-N 3.49Å; E162-W164 VanDerWaalsContact O-N 3.09Å; E162-F165 WeakPolarHBondContact O-CA 3.34Å; E162-F165 WeakPolarHBondContact O-CB 3.33Å; E162-F165 PolarHBondContact O-N 2.94Å; E162-Q166 PolarHBondContact O-N 3.19Å; E162-W209 HydrophobicContact CB-CD2 4.19Å; E162-W209 HydrophobicContact CB-CH2 4.09Å; E162-W209 HydrophobicContact CB-CZ2 3.65Å; E162-W209 HydrophobicContact CG-CD2 4.27Å; E162-W209 HydrophobicContact CG-CG 4.41Å; E162-W209 HydrophobicContact CG-CZ2 4.34Å; E162-Y213 HydrophobicContact CG-CE2 3.74Å; E162-Y213 WeakPolarHBondContact CG-OH 3.15Å; E162-Y213 PolarHBondContact OE1-OH 3.03Å
163	R	98.4	Very high	98.2	Very high	174 Å²	174	40 Å²	40	66%	0.657	18%	0.177	S	C	*	.	H	α-helix	trans	-53.8	-31.8	174.4	-174.1	176.5	-179.4	-175.6	-1.7	113.1	R161 Q166 N167	R161-R163 PolarHBondContact O-N 3.19Å; R163-Q166 PolarHBondContact O-N 3.27Å; R163-N167 WeakPolarHBondContact O-CB 3.34Å; R163-N167 VanDerWaalsContact O-CG 3.24Å; R163-N167 PolarHBondContact O-N 3.15Å
164	W	98.8	Very high	98.2	Very high	11 Å²	11	40.1 Å²	40.1	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-40.3	176.1	-167.6	96.9	0	0	0	111.3	F127 G132 L135 V139 I153 R161 E162 N167 Y168 L172	F127-W164 HydrophobicContact CD1-CG 4.37Å; F127-W164 HydrophobicContact CE1-CB 4.45Å; F127-W164 AromaticContact CE1-CD1 3.86Å; F127-W164 AromaticContact CE1-CD2 3.53Å; F127-W164 HydrophobicContact CE1-CD2 3.53Å; F127-W164 AromaticContact CE1-CE2 3.63Å; F127-W164 HydrophobicContact CE1-CE3 4.02Å; F127-W164 AromaticContact CE1-CG 3.7Å; F127-W164 HydrophobicContact CE1-CG 3.7Å; F127-W164 HydrophobicContact CE1-CZ2 4.23Å; F127-W164 AromaticContact CE1-NE1 3.79Å; F127-W164 HydrophobicContact CZ-CD2 4.16Å; F127-W164 HydrophobicContact CZ-CE3 4.26Å; F127-W164 HydrophobicContact CZ-CH2 4.47Å; F127-W164 HydrophobicContact CZ-CZ2 4.33Å; F127-W164 HydrophobicContact CZ-CZ3 4.43Å; G132-W164 PolarHBondContact O-NE1 3.1Å; L135-W164 HydrophobicContact CD2-CZ2 4.35Å; L135-W164 HydrophobicContact CG-CZ2 4.18Å; V139-W164 HydrophobicContact CG1-CH2 4.49Å; V139-W164 HydrophobicContact CG2-CH2 4.36Å; V139-W164 HydrophobicContact CG2-CZ2 4.3Å; I153-W164 HydrophobicContact CD1-CH2 3.47Å; I153-W164 VanDerWaalsContact CD1-CH2 3.47Å; I153-W164 HydrophobicContact CD1-CZ2 3.85Å; I153-W164 HydrophobicContact CD1-CZ3 4.33Å; R161-W164 VanDerWaalsContact O-CB 3.26Å; R161-W164 WeakPolarHBondContact O-CB 3.48Å; R161-W164 PolarHBondContact O-N 2.89Å; E162-W164 PolarHBondContact O-N 3.49Å; E162-W164 VanDerWaalsContact O-N 3.09Å; W164-N167 PolarHBondContact O-N 3.04Å; W164-Y168 AromaticContact CD1-CD2 3.68Å; W164-Y168 AromaticContact CD2-CD2 3.95Å; W164-Y168 HydrophobicContact CD2-CD2 3.95Å; W164-Y168 AromaticContact CE2-CD2 3.74Å; W164-Y168 AromaticContact CG-CD2 3.93Å; W164-Y168 HydrophobicContact CG-CD2 3.93Å; W164-Y168 HydrophobicContact CZ2-CD2 4.35Å; W164-Y168 HydrophobicContact CZ2-CG 4.38Å; W164-Y168 AromaticContact NE1-CD2 3.56Å; W164-Y168 WeakPolarHBondContact O-CB 3.25Å; W164-Y168 PolarHBondContact O-N 3.43Å; W164-L172 HydrophobicContact CH2-CD2 4.01Å; W164-L172 HydrophobicContact CZ3-CD2 3.84Å
165	F	98.7	Very high	98.2	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-40.9	173.1	-78.8	-92.5	0	0	0	112.1	I160 E162 N167 Y168 G169 L175 L206 W209 Y213 V215	I160-F165 HydrophobicContact CG2-CD2 4.15Å; I160-F165 HydrophobicContact CG2-CE2 3.62Å; E162-F165 WeakPolarHBondContact O-CA 3.34Å; E162-F165 WeakPolarHBondContact O-CB 3.33Å; E162-F165 PolarHBondContact O-N 2.94Å; F165-N167 VanDerWaalsContact C-N 3.25Å; F165-N167 PolarHBondContact O-N 3.43Å; F165-Y168 PolarHBondContact O-N 3.38Å; F165-G169 VanDerWaalsContact O-CA 3.28Å; F165-G169 WeakPolarHBondContact O-CA 3.39Å; F165-G169 PolarHBondContact O-N 3.24Å; F165-L175 HydrophobicContact CE1-CD2 4.41Å; F165-L175 HydrophobicContact CE2-CD2 4.35Å; F165-L175 HydrophobicContact CZ-CD2 3.59Å; F165-L206 HydrophobicContact CE2-CD2 4.36Å; F165-W209 HydrophobicContact CD1-CB 4.46Å; F165-W209 HydrophobicContact CD2-CB 4.01Å; F165-W209 HydrophobicContact CD2-CD2 4.47Å; F165-W209 AromaticContact CD2-CE3 3.97Å; F165-W209 HydrophobicContact CD2-CE3 3.97Å; F165-W209 HydrophobicContact CE1-CB 4.3Å; F165-W209 HydrophobicContact CE2-CB 3.84Å; F165-W209 HydrophobicContact CE2-CD2 4.45Å; F165-W209 AromaticContact CE2-CE3 3.77Å; F165-W209 HydrophobicContact CE2-CE3 3.77Å; F165-W209 HydrophobicContact CG-CB 4.3Å; F165-W209 HydrophobicContact CZ-CB 3.97Å; F165-Y213 HydrophobicContact CB-CD1 3.96Å; F165-Y213 HydrophobicContact CB-CD2 3.58Å; F165-Y213 HydrophobicContact CB-CE1 4.32Å; F165-Y213 HydrophobicContact CB-CE2 3.98Å; F165-Y213 HydrophobicContact CB-CG 3.59Å; F165-Y213 HydrophobicContact CD1-CD2 4.21Å; F165-Y213 HydrophobicContact CD1-CG 4.19Å; F165-Y213 HydrophobicContact CG-CD2 4.07Å; F165-Y213 HydrophobicContact CG-CG 4.27Å; F165-V215 HydrophobicContact CD1-CG2 4.17Å; F165-V215 HydrophobicContact CE1-CB 4.29Å; F165-V215 HydrophobicContact CE1-CG2 4.08Å
166	Q	98.5	Very high	98.2	Very high	113 Å²	113	39.2 Å²	39.2	53%	0.528	17%	0.172	S	C	.	.	H	α-helix	trans	-58.5	-39.3	175.3	-67.1	171.4	-12.4	0	0	112.1	E162 R163 Y213	E162-Q166 PolarHBondContact O-N 3.19Å; R163-Q166 PolarHBondContact O-N 3.27Å; Q166-Y213 HydrophobicContact CB-CE1 4.29Å; Q166-Y213 HydrophobicContact CG-CE1 3.56Å; Q166-Y213 WeakPolarHBondContact CG-OH 3.47Å; Q166-Y213 PolarHBondContact NE2-OH 3.41Å
167	N	98.6	Very high	98.2	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	17%	0.17	S	C	.	.	H	α-helix	trans	-84.8	-33.5	-177.3	-70.1	-9.6	0	0	0	113.8	R163 W164 F165	R163-N167 WeakPolarHBondContact O-CB 3.34Å; R163-N167 VanDerWaalsContact O-CG 3.24Å; R163-N167 PolarHBondContact O-N 3.15Å; W164-N167 PolarHBondContact O-N 3.04Å; F165-N167 VanDerWaalsContact C-N 3.25Å; F165-N167 PolarHBondContact O-N 3.43Å
168	Y	98.8	Very high	98.3	Very high	22 Å²	22	39.6 Å²	39.6	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-133.2	-9.4	-165.2	-55.8	-67	0	0	0	115.2	E133 G136 W164 F165 E170 Y171 L172	E133-Y168 PolarHBondContact OE2-OH 3.04Å; G136-Y168 VanDerWaalsContact C-CE1 3.42Å; G136-Y168 VanDerWaalsContact O-CD1 3.3Å; G136-Y168 WeakPolarHBondContact O-CD1 3.38Å; W164-Y168 AromaticContact CD1-CD2 3.68Å; W164-Y168 AromaticContact CD2-CD2 3.95Å; W164-Y168 HydrophobicContact CD2-CD2 3.95Å; W164-Y168 AromaticContact CE2-CD2 3.74Å; W164-Y168 AromaticContact CG-CD2 3.93Å; W164-Y168 HydrophobicContact CG-CD2 3.93Å; W164-Y168 HydrophobicContact CZ2-CD2 4.35Å; W164-Y168 HydrophobicContact CZ2-CG 4.38Å; W164-Y168 AromaticContact NE1-CD2 3.56Å; W164-Y168 WeakPolarHBondContact O-CB 3.25Å; W164-Y168 PolarHBondContact O-N 3.43Å; F165-Y168 PolarHBondContact O-N 3.38Å; Y168-E170 VanDerWaalsContact C-N 3.26Å; Y168-E170 PolarHBondContact O-N 2.8Å; Y168-Y171 HydrophobicContact CD1-CD2 4.37Å; Y168-Y171 HydrophobicContact CD1-CE2 4.44Å; Y168-Y171 PolarHBondContact O-N 3.21Å; Y168-Y171 VanDerWaalsContact O-N 3.1Å; Y168-L172 PolarHBondContact O-N 2.89Å
169	G	98.4	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-61	-32.5	-175.6	0	0	0	0	0	113.4	F165 Y171 L172 V215 K353	F165-G169 VanDerWaalsContact O-CA 3.28Å; F165-G169 WeakPolarHBondContact O-CA 3.39Å; F165-G169 PolarHBondContact O-N 3.24Å; G169-Y171 PolarHBondContact O-N 2.65Å; G169-L172 PolarHBondContact O-N 2.67Å; G169-V215 WeakPolarHBondContact O-CG2 3.33Å; G169-K353 PolarHBondContact O-NZ 3.47Å
170	E	98.1	Very high	98.5	Very high	127 Å²	127	37.4 Å²	37.4	59%	0.593	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-58.7	-33.7	176.3	62.4	168.1	137.2	0	0	112.5	Y168 K353	Y168-E170 VanDerWaalsContact C-N 3.26Å; Y168-E170 PolarHBondContact O-N 2.8Å; E170-K353 WeakPolarHBondContact O-CE 3.32Å; E170-K353 PolarHBondContact O-NZ 3.5Å
171	Y	98.6	Very high	98.5	Very high	26 Å²	26	37.3 Å²	37.3	10%	0.102	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-88.3	-16.8	-176.2	-47.3	-62	0	0	0	113.5	K140 K143 T144 Y168 G169	K140-Y171 HydrophobicContact CB-CD2 3.82Å; K140-Y171 HydrophobicContact CB-CE2 4.06Å; K140-Y171 HydrophobicContact CB-CG 4.22Å; K140-Y171 HydrophobicContact CD-CD2 4.32Å; K140-Y171 HydrophobicContact CD-CE1 4.48Å; K140-Y171 HydrophobicContact CD-CE2 3.68Å; K140-Y171 HydrophobicContact CG-CD1 4.35Å; K140-Y171 HydrophobicContact CG-CD2 3.97Å; K140-Y171 HydrophobicContact CG-CE1 4.18Å; K140-Y171 HydrophobicContact CG-CE2 3.79Å; K140-Y171 HydrophobicContact CG-CG 4.27Å; K140-Y171 PolarHBondContact NZ-OH 3.24Å; K140-Y171 VanDerWaalsContact NZ-OH 3.09Å; K143-Y171 WeakPolarHBondContact CD-O 3.35Å; K143-Y171 WeakPolarHBondContact CG-O 3.13Å; T144-Y171 HydrophobicContact CG2-CD1 3.65Å; T144-Y171 HydrophobicContact CG2-CE1 3.6Å; Y168-Y171 HydrophobicContact CD1-CD2 4.37Å; Y168-Y171 HydrophobicContact CD1-CE2 4.44Å; Y168-Y171 PolarHBondContact O-N 3.21Å; Y168-Y171 VanDerWaalsContact O-N 3.1Å; G169-Y171 PolarHBondContact O-N 2.65Å
172	L	98.8	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.143	C	C	.	.			trans	-87.7	127.5	-177	-175.1	65.9	0	0	0	110.5	V139 V151 I153 W164 Y168 G169 L175 V215 K353	V139-L172 HydrophobicContact CG1-CB 4.27Å; V139-L172 HydrophobicContact CG1-CD1 4.39Å; V151-L172 HydrophobicContact CG1-CD1 4.49Å; V151-L172 WeakPolarHBondContact O-CD1 3.39Å; I153-L172 HydrophobicContact CB-CD1 4.48Å; I153-L172 HydrophobicContact CD1-CD1 3.7Å; I153-L172 HydrophobicContact CD1-CD2 3.94Å; I153-L172 HydrophobicContact CD1-CG 4.5Å; I153-L172 HydrophobicContact CG1-CD1 3.83Å; W164-L172 HydrophobicContact CH2-CD2 4.01Å; W164-L172 HydrophobicContact CZ3-CD2 3.84Å; Y168-L172 PolarHBondContact O-N 2.89Å; G169-L172 PolarHBondContact O-N 2.67Å; L172-L175 HydrophobicContact CD2-CB 4.02Å; L172-V215 HydrophobicContact CB-CG1 4.48Å; L172-V215 HydrophobicContact CB-CG2 4.38Å; L172-V215 HydrophobicContact CD2-CG1 3.81Å; L172-V215 HydrophobicContact CG-CG1 4.01Å; L172-K353 WeakPolarHBondContact O-CD 3.47Å; L172-K353 WeakPolarHBondContact O-CE 3.38Å; L172-K353 PolarHBondContact O-NZ 3.48Å
173	D	98.7	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-81.3	-53.6	173.8	-64.9	-82.3	0	0	0	111	K143 S150 V151 A216 K353	K143-D173 VanDerWaalsContact NZ-CG 3.3Å; K143-D173 IonicContact NZ-OD1 3.18Å; K143-D173 PolarHBondContact NZ-OD1 3.4Å; K143-D173 VanDerWaalsContact NZ-OD1 3.07Å; K143-D173 IonicContact NZ-OD2 3.97Å; K143-D173 PolarHBondContact NZ-OD2 3.5Å; S150-D173 WeakPolarHBondContact CA-OD2 3.18Å; V151-D173 PolarHBondContact N-OD2 3.34Å; V151-D173 WeakPolarHBondContact O-CB 3.38Å; V151-D173 PolarHBondContact O-N 2.79Å; D173-A216 WeakPolarHBondContact O-CB 3.45Å; D173-A216 PolarHBondContact O-N 3.07Å; D173-K353 HydrophobicContact CB-CB 4.23Å; D173-K353 HydrophobicContact CB-CG 4.44Å; D173-K353 WeakPolarHBondContact OD1-CG 3.45Å; D173-K353 PolarHBondContact OD1-N 2.81Å
174	I	98.8	Very high	98.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.3	-171	-56.3	164.5	0	0	0	111	V151 S152 I153 A216 K218 Y349 W351	V151-I174 PolarHBondContact O-N 3.01Å; S152-I174 CarbonylContact C-O 3.57Å; S152-I174 WeakPolarHBondContact CA-O 3.34Å; S152-I174 WeakPolarHBondContact CB-O 3.43Å; I153-I174 PolarHBondContact N-O 3.47Å; I174-A216 WeakPolarHBondContact CA-O 3.34Å; I174-A216 HydrophobicContact CB-CB 4.47Å; I174-A216 HydrophobicContact CG1-CB 3.91Å; I174-K218 HydrophobicContact CG2-CB 3.69Å; I174-K218 HydrophobicContact CG2-CD 4.11Å; I174-Y349 HydrophobicContact CD1-CE2 4.18Å; I174-W351 HydrophobicContact CD1-CB 4.38Å; I174-W351 WeakPolarHBondContact CD1-O 3.5Å
175	L	98.8	Very high	97.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114	163.5	-178.8	62.9	0	0	0	109.7	F127 I153 I160 F165 L172 V177 V215 A216 K218	F127-L175 HydrophobicContact CE2-CD1 4.48Å; I153-L175 HydrophobicContact CB-CD1 4Å; I153-L175 HydrophobicContact CG2-CD1 4.06Å; I160-L175 HydrophobicContact CD1-CD1 4.11Å; I160-L175 HydrophobicContact CD1-CD2 3.95Å; F165-L175 HydrophobicContact CE1-CD2 4.41Å; F165-L175 HydrophobicContact CE2-CD2 4.35Å; F165-L175 HydrophobicContact CZ-CD2 3.59Å; L172-L175 HydrophobicContact CD2-CB 4.02Å; L175-V177 HydrophobicContact CD2-CG2 4.25Å; L175-V177 HydrophobicContact CG-CG2 4.16Å; L175-V215 HydrophobicContact CB-CG1 3.97Å; L175-A216 PolarHBondContact N-O 2.83Å; L175-K218 PolarHBondContact O-N 3.14Å
176	A	98.8	Very high	97.7	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.8	170.4	0	0	0	0	0	110.4	I153 V154 S155 K218	I153-A176 WeakPolarHBondContact O-CA 3.28Å; I153-A176 WeakPolarHBondContact O-CB 3.44Å; I153-A176 PolarHBondContact O-N 3.05Å; V154-A176 WeakPolarHBondContact CA-O 3.4Å; V154-A176 HydrophobicContact CB-CB 4.47Å; V154-A176 HydrophobicContact CG2-CB 3.88Å; S155-A176 PolarHBondContact N-O 2.96Å; A176-K218 CarbonylContact C-O 3.28Å; A176-K218 VanDerWaalsContact CA-O 3.27Å; A176-K218 WeakPolarHBondContact CA-O 3.32Å; A176-K218 HydrophobicContact CB-CB 3.91Å; A176-K218 HydrophobicContact CB-CD 3.86Å; A176-K218 HydrophobicContact CB-CG 3.62Å
177	V	98.6	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130	173.2	-172.5	0	0	0	0	109.1	S155 L175 C179 L203 L206 F217 K218 I219 N220	S155-V177 WeakPolarHBondContact O-CA 3.27Å; L175-V177 HydrophobicContact CD2-CG2 4.25Å; L175-V177 HydrophobicContact CG-CG2 4.16Å; V177-C179 PolarHBondContact O-N 3.02Å; V177-L203 HydrophobicContact CB-CD1 3.59Å; V177-L203 HydrophobicContact CG1-CD1 3.45Å; V177-L203 VanDerWaalsContact CG1-CD1 3.45Å; V177-L203 HydrophobicContact CG2-CD1 4.31Å; V177-L206 HydrophobicContact CG1-CD1 4.14Å; V177-L206 HydrophobicContact CG2-CB 4.34Å; V177-L206 HydrophobicContact CG2-CD1 3.81Å; V177-F217 HydrophobicContact CB-CE2 4.32Å; V177-F217 HydrophobicContact CG2-CE2 3.74Å; V177-F217 HydrophobicContact CG2-CZ 4.46Å; V177-K218 PolarHBondContact N-O 2.86Å; V177-I219 WeakPolarHBondContact O-CA 3.45Å; V177-N220 PolarHBondContact O-N 3.47Å
178	S	98.3	Very high	97.3	Very high	17 Å²	17	28.9 Å²	28.9	12%	0.119	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.8	177.1	-57.4	0	0	0	0	110.1	S155 R192 H199 N220	S155-S178 PolarHBondContact O-N 2.91Å; S178-R192 PolarHBondContact O-NH1 2.89Å; S178-H199 PolarHBondContact O-CE1 2.76Å; S178-H199 PolarHBondContact O-NE2 3.23Å; S178-N220 CarbonylContact C-O 3.53Å; S178-N220 WeakPolarHBondContact CA-O 3.47Å
179	C	98	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.			trans	-133.1	114.6	178.3	177.6	0	0	0	0	108.6	V177 S181 L203 I219 N220 S221	V177-C179 PolarHBondContact O-N 3.02Å; C179-S181 PolarHBondContact SG-O 2.96Å; C179-S181 VanDerWaalsContact SG-O 3.41Å; C179-L203 HydrophobicContact CB-CD1 4.23Å; C179-L203 HydrophobicContact CB-CD2 3.77Å; C179-I219 HydrophobicContact CB-CG2 4.24Å; C179-N220 PolarHBondContact N-O 3.28Å; C179-S221 WeakPolarHBondContact O-CB 3.41Å; C179-S221 PolarHBondContact O-OG 3.36Å
180	D	98.3	Very high	97	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.168	C	C	.	.			trans	-101.1	-18.5	-174.6	-62.6	-19.4	0	0	0	112.5	F88 I190 R192 S221 V222 N227 M232	F88-D180 WeakPolarHBondContact CZ-OD2 3.22Å; D180-I190 HydrophobicContact CB-CD1 4.16Å; D180-R192 VanDerWaalsContact CG-NE 3.32Å; D180-R192 IonicContact OD1-CZ 2.89Å; D180-R192 IonicContact OD1-NE 3.24Å; D180-R192 IonicContact OD1-NH2 2.67Å; D180-R192 IonicContact OD2-CZ 3.07Å; D180-R192 IonicContact OD2-NE 3.92Å; D180-R192 PolarHBondContact OD2-NE 2.76Å; D180-R192 IonicContact OD2-NH2 3.15Å; D180-R192 PolarHBondContact OD2-NH2 2.96Å; D180-S221 VanDerWaalsContact OD1-CA 3.29Å; D180-S221 WeakPolarHBondContact OD1-CA 3.36Å; D180-V222 PolarHBondContact OD1-N 3.19Å; D180-N227 PolarHBondContact O-ND2 3.45Å; D180-M232 WeakPolarHBondContact O-CE 3.24Å
181	S	98	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.			trans	-150.9	149.5	175.3	-177.4	0	0	0	0	110.3	C179 D183 V186 N187 E230	C179-S181 PolarHBondContact SG-O 2.96Å; C179-S181 VanDerWaalsContact SG-O 3.41Å; S181-D183 VanDerWaalsContact C-N 3.34Å; S181-D183 PolarHBondContact OG-N 2.82Å; S181-D183 PolarHBondContact OG-O 2.89Å; S181-V186 WeakPolarHBondContact OG-CB 3.37Å; S181-N187 PolarHBondContact N-OD1 2.86Å; S181-N187 PolarHBondContact O-ND2 3.43Å; S181-E230 VanDerWaalsContact CB-OE2 3.24Å; S181-E230 WeakPolarHBondContact CB-OE2 3.4Å; S181-E230 VanDerWaalsContact OG-CD 3.27Å; S181-E230 PolarHBondContact OG-OE1 2.8Å; S181-E230 PolarHBondContact OG-OE2 2.9Å
182	F	97.1	Very high	96.5	Very high	31 Å²	31	27.5 Å²	27.5	14%	0.136	15%	0.147	C	C	.	.	S	Bend	trans	-91.3	-1.7	167.7	-68	-81.5	0	0	0	112.6	V200 L203 E230 M232 Q235 I236 L239	F182-V200 HydrophobicContact CD1-CG1 3.97Å; F182-L203 HydrophobicContact CE1-CD2 3.84Å; F182-L203 HydrophobicContact CZ-CD2 4.32Å; F182-E230 PolarHBondContact N-OE1 2.79Å; F182-M232 HydrophobicContact CD2-CB 3.95Å; F182-M232 HydrophobicContact CD2-CG 3.89Å; F182-M232 HydrophobicContact CD2-SD 4.25Å; F182-M232 HydrophobicContact CE2-CB 3.87Å; F182-M232 HydrophobicContact CE2-CG 4.14Å; F182-M232 HydrophobicContact CE2-SD 4.19Å; F182-Q235 HydrophobicContact CB-CG 4.01Å; F182-Q235 HydrophobicContact CD1-CB 3.59Å; F182-Q235 HydrophobicContact CD1-CG 3.83Å; F182-Q235 HydrophobicContact CD2-CB 3.72Å; F182-Q235 HydrophobicContact CD2-CG 4.04Å; F182-Q235 HydrophobicContact CE1-CB 3.56Å; F182-Q235 HydrophobicContact CE1-CG 4.32Å; F182-Q235 HydrophobicContact CE2-CB 3.69Å; F182-Q235 HydrophobicContact CG-CB 3.67Å; F182-Q235 HydrophobicContact CG-CG 3.67Å; F182-Q235 HydrophobicContact CZ-CB 3.61Å; F182-I236 HydrophobicContact CE2-CD1 3.86Å; F182-I236 HydrophobicContact CE2-CG1 4.03Å; F182-I236 HydrophobicContact CZ-CD1 3.78Å; F182-I236 HydrophobicContact CZ-CG1 4.26Å; F182-L239 HydrophobicContact CE1-CD1 3.69Å; F182-L239 HydrophobicContact CZ-CD1 3.89Å
183	D	95.9	Very high	95.5	Very high	75 Å²	75	28.8 Å²	28.8	40%	0.401	16%	0.16	S	C	.	.			trans	-92.5	120.7	166.6	-172.4	-26.3	0	0	0	109.8	S181 E185 V186 N187	S181-D183 VanDerWaalsContact C-N 3.34Å; S181-D183 PolarHBondContact OG-N 2.82Å; S181-D183 PolarHBondContact OG-O 2.89Å; D183-E185 VanDerWaalsContact C-N 3.32Å; D183-E185 PolarHBondContact O-N 3.44Å; D183-E185 WeakPolarHBondContact OD1-CB 3.34Å; D183-E185 PolarHBondContact OD1-N 2.91Å; D183-V186 HydrophobicContact CB-CB 4.05Å; D183-V186 HydrophobicContact CB-CG2 3.8Å; D183-V186 PolarHBondContact O-N 2.91Å; D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.21Å
184	E	93.1	Very high	94.1	Very high	42 Å²	42	31.7 Å²	31.7	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-31.8	-179	-169.4	62.1	-158.5	0	0	112.1	V186 N187 V188 N198 H199	E184-V186 VanDerWaalsContact C-N 3.33Å; E184-N187 PolarHBondContact O-N 3.39Å; E184-V188 WeakPolarHBondContact O-CG2 3.33Å; E184-V188 PolarHBondContact O-N 2.96Å; E184-N198 PolarHBondContact OE2-OD1 2.75Å; E184-H199 PolarHBondContact OE1-N 2.89Å; E184-H199 PolarHBondContact OE2-N 3.44Å
185	E	93.9	Very high	92.8	Very high	150 Å²	150	35.4 Å²	35.4	70%	0.701	21%	0.213	S	C	*	.	H	α-helix	trans	-65.3	-41.4	176.2	-62.1	-169.3	170	0	0	110.5	D183 V188 L189	D183-E185 VanDerWaalsContact C-N 3.32Å; D183-E185 PolarHBondContact O-N 3.44Å; D183-E185 WeakPolarHBondContact OD1-CB 3.34Å; D183-E185 PolarHBondContact OD1-N 2.91Å; E185-V188 PolarHBondContact O-N 2.91Å; E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 2.85Å
186	V	96.4	Very high	91.5	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-42.8	173.9	176.2	0	0	0	0	110.9	S181 D183 E184 V188 L189 I190 F226 N227	S181-V186 WeakPolarHBondContact OG-CB 3.37Å; D183-V186 HydrophobicContact CB-CB 4.05Å; D183-V186 HydrophobicContact CB-CG2 3.8Å; D183-V186 PolarHBondContact O-N 2.91Å; E184-V186 VanDerWaalsContact C-N 3.33Å; V186-V188 VanDerWaalsContact C-N 3.32Å; V186-V188 PolarHBondContact O-N 3.16Å; V186-L189 PolarHBondContact O-N 2.94Å; V186-I190 HydrophobicContact CG1-CD1 3.78Å; V186-I190 HydrophobicContact CG1-CG1 4.41Å; V186-I190 WeakPolarHBondContact O-CB 3.49Å; V186-I190 WeakPolarHBondContact O-CG1 3.35Å; V186-I190 PolarHBondContact O-N 3.17Å; V186-F226 HydrophobicContact CG1-CB 4.08Å; V186-N227 HydrophobicContact CG1-CB 4.31Å
187	N	95.6	Very high	90.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-41.1	174.5	-76.7	-46.9	0	0	0	112.1	S181 D183 E184 I190 G191 R192	S181-N187 PolarHBondContact N-OD1 2.86Å; S181-N187 PolarHBondContact O-ND2 3.43Å; D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.21Å; E184-N187 PolarHBondContact O-N 3.39Å; N187-I190 PolarHBondContact O-N 3.03Å; N187-G191 PolarHBondContact O-N 3.15Å; N187-G191 VanDerWaalsContact O-N 3.08Å; N187-R192 HydrophobicContact CB-CB 4.19Å; N187-R192 WeakPolarHBondContact O-CA 3.16Å; N187-R192 PolarHBondContact O-N 2.86Å
188	V	93	Very high	90	Very high	89 Å²	89	52.3 Å²	52.3	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-47	174.9	170.3	0	0	0	0	111	E184 E185 V186 I190 G191	E184-V188 WeakPolarHBondContact O-CG2 3.33Å; E184-V188 PolarHBondContact O-N 2.96Å; E185-V188 PolarHBondContact O-N 2.91Å; V186-V188 VanDerWaalsContact C-N 3.32Å; V186-V188 PolarHBondContact O-N 3.16Å; V188-I190 VanDerWaalsContact C-N 3.29Å; V188-I190 PolarHBondContact O-N 2.84Å; V188-G191 PolarHBondContact O-N 2.83Å
189	L	94.9	Very high	89.6	Confident	110 Å²	110	51.6 Å²	51.6	58%	0.576	28%	0.283	S	S	*	.	H	α-helix	trans	-58.4	-41	176.8	-73.1	172.1	0	0	0	112.2	E185 V186 G191	E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 2.94Å; L189-G191 PolarHBondContact O-N 2.9Å
190	I	96.3	Very high	89.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-28	176.4	-75.7	170.3	0	0	0	112	C86 G87 F88 D180 V186 N187 V188 R192 N224 F226 F268	C86-I190 CarbonylContact C-O 3.55Å; C86-I190 VanDerWaalsContact CA-O 3.28Å; C86-I190 WeakPolarHBondContact CA-O 3.4Å; G87-I190 PolarHBondContact N-O 2.91Å; F88-I190 HydrophobicContact CD1-CG2 4.3Å; F88-I190 HydrophobicContact CE1-CB 4.32Å; F88-I190 HydrophobicContact CE1-CD1 4.44Å; F88-I190 HydrophobicContact CE1-CG1 4.26Å; F88-I190 HydrophobicContact CE1-CG2 3.23Å; F88-I190 HydrophobicContact CZ-CG2 3.41Å; F88-I190 VanDerWaalsContact CZ-CG2 3.41Å; D180-I190 HydrophobicContact CB-CD1 4.16Å; V186-I190 HydrophobicContact CG1-CD1 3.78Å; V186-I190 HydrophobicContact CG1-CG1 4.41Å; V186-I190 WeakPolarHBondContact O-CB 3.49Å; V186-I190 WeakPolarHBondContact O-CG1 3.35Å; V186-I190 PolarHBondContact O-N 3.17Å; N187-I190 PolarHBondContact O-N 3.03Å; V188-I190 VanDerWaalsContact C-N 3.29Å; V188-I190 PolarHBondContact O-N 2.84Å; I190-R192 HydrophobicContact CG2-CB 4.44Å; I190-R192 HydrophobicContact CG2-CG 3.98Å; I190-N224 WeakPolarHBondContact CD1-ND2 3.45Å; I190-F226 HydrophobicContact CG1-CB 4.32Å; I190-F226 HydrophobicContact CG1-CD2 4.27Å; I190-F268 HydrophobicContact CG1-CE1 4.37Å
191	G	94.6	Very high	89	Confident	17 Å²	17	58.6 Å²	58.6	18%	0.175	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	20.6	-173.5	0	0	0	0	0	114	K85 C86 N187 V188 L189	K85-G191 CarbonylContact C-O 3.5Å; K85-G191 VanDerWaalsContact C-O 3.32Å; K85-G191 PolarHBondContact N-O 2.78Å; C86-G191 PolarHBondContact N-O 2.88Å; N187-G191 PolarHBondContact O-N 3.15Å; N187-G191 VanDerWaalsContact O-N 3.08Å; V188-G191 PolarHBondContact O-N 2.83Å; L189-G191 PolarHBondContact O-N 2.9Å
192	R	90.9	Very high	88.8	Confident	18 Å²	18	59.6 Å²	59.6	7%	0.068	32%	0.322	C	S	.	.			trans	-96.7	26.7	174.2	-79.2	-168.7	-175.8	-96.3	10.8	114.4	Y84 C86 S178 D180 N187 I190	Y84-R192 HydrophobicContact CD2-CB 4.05Å; Y84-R192 HydrophobicContact CD2-CG 3.96Å; Y84-R192 HydrophobicContact CE2-CB 3.92Å; Y84-R192 HydrophobicContact CE2-CG 4.2Å; Y84-R192 WeakPolarHBondContact CE2-O 3.28Å; Y84-R192 PolarHBondContact OH-O 2.92Å; C86-R192 WeakPolarHBondContact SG-CG 3.4Å; S178-R192 PolarHBondContact O-NH1 2.89Å; D180-R192 VanDerWaalsContact CG-NE 3.32Å; D180-R192 IonicContact OD1-CZ 2.89Å; D180-R192 IonicContact OD1-NE 3.24Å; D180-R192 IonicContact OD1-NH2 2.67Å; D180-R192 IonicContact OD2-CZ 3.07Å; D180-R192 IonicContact OD2-NE 3.92Å; D180-R192 PolarHBondContact OD2-NE 2.76Å; D180-R192 IonicContact OD2-NH2 3.15Å; D180-R192 PolarHBondContact OD2-NH2 2.96Å; N187-R192 HydrophobicContact CB-CB 4.19Å; N187-R192 WeakPolarHBondContact O-CA 3.16Å; N187-R192 PolarHBondContact O-N 2.86Å; I190-R192 HydrophobicContact CG2-CB 4.44Å; I190-R192 HydrophobicContact CG2-CG 3.98Å
193	G	77.6	Confident	88.8	Confident	27 Å²	27	58.1 Å²	58.1	28%	0.278	32%	0.316	S	S	.	.			trans	-105	149.2	172.6	0	0	0	0	0	112.7
194	Q	70.2	Confident	88.8	Confident	62 Å²	62	59.7 Å²	59.7	29%	0.29	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-127.3	80.4	167.4	-164	-172.4	28.1	0	0	110.6	Y84 K196 K197	Y84-Q194 HydrophobicContact CE1-CB 3.92Å; Q194-K196 PolarHBondContact O-N 2.84Å; Q194-K197 PolarHBondContact O-N 3.42Å
195	G	71.8	Confident	89	Confident	81 Å²	81	61.3 Å²	61.3	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-122.4	-179.7	0	0	0	0	0	111.3
196	K	71.1	Confident	89.2	Confident	220 Å²	220	54.1 Å²	54.1	96%	0.957	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	0.5	-177.3	-62.2	-172.6	178.3	-174.9	0	114.9	Q194 N198	Q194-K196 PolarHBondContact O-N 2.84Å; K196-N198 PolarHBondContact O-N 2.7Å
197	K	79.4	Confident	89.3	Confident	91 Å²	91	54.9 Å²	54.9	40%	0.396	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-81.1	119.7	-178.9	-66.6	-177.7	-173.1	168	0	109.7	Q194	Q194-K197 PolarHBondContact O-N 3.42Å
198	N	86.6	Confident	89.4	Confident	47 Å²	47	57.6 Å²	57.6	25%	0.251	31%	0.311	S	S	.	.			trans	-71.8	125.2	172.9	-176.2	-55.2	0	0	0	110.2	E184 K196 V200 E201 N202	E184-N198 PolarHBondContact OE2-OD1 2.75Å; K196-N198 PolarHBondContact O-N 2.7Å; N198-V200 WeakPolarHBondContact OD1-CA 3.45Å; N198-V200 WeakPolarHBondContact OD1-CB 3.48Å; N198-V200 PolarHBondContact OD1-N 2.95Å; N198-E201 HydrophobicContact CB-CB 4.05Å; N198-E201 HydrophobicContact CB-CG 3.9Å; N198-E201 PolarHBondContact OD1-N 2.79Å; N198-N202 PolarHBondContact O-N 2.76Å
199	H	89.8	Confident	89.6	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-38.7	-177.2	-178.4	64.6	0	0	0	111.9	N156 S178 E184 N202 L203	N156-H199 PolarHBondContact O-CE1 2.73Å; S178-H199 PolarHBondContact O-CE1 2.76Å; S178-H199 PolarHBondContact O-NE2 3.23Å; E184-H199 PolarHBondContact OE1-N 2.89Å; E184-H199 PolarHBondContact OE2-N 3.44Å; H199-N202 WeakPolarHBondContact O-CB 3.46Å; H199-N202 PolarHBondContact O-N 3.5Å; H199-L203 PolarHBondContact O-N 3.23Å
200	V	91.1	Very high	89.8	Confident	21 Å²	21	49.6 Å²	49.6	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-44	-178.9	-177.3	0	0	0	0	111.7	F182 N198 N202 L203 Q204	F182-V200 HydrophobicContact CD1-CG1 3.97Å; N198-V200 WeakPolarHBondContact OD1-CA 3.45Å; N198-V200 WeakPolarHBondContact OD1-CB 3.48Å; N198-V200 PolarHBondContact OD1-N 2.95Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.83Å; V200-L203 WeakPolarHBondContact O-CB 3.38Å; V200-L203 PolarHBondContact O-N 3.38Å; V200-L203 VanDerWaalsContact O-N 3.15Å; V200-Q204 PolarHBondContact O-N 3.02Å
201	E	92.1	Very high	89.8	Confident	128 Å²	128	55 Å²	55	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-40.8	173.3	-70.9	177.3	-176.6	0	0	111	N198 L203 Q204 K205	N198-E201 HydrophobicContact CB-CB 4.05Å; N198-E201 HydrophobicContact CB-CG 3.9Å; N198-E201 PolarHBondContact OD1-N 2.79Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.03Å; E201-Q204 PolarHBondContact O-N 3.08Å; E201-K205 PolarHBondContact O-N 3.45Å
202	N	94.3	Very high	90	Very high	20 Å²	20	58 Å²	58	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38.6	176.7	-172.8	71.8	0	0	0	111.8	G157 N198 H199 V200 K205 L206	G157-N202 VanDerWaalsContact C-ND2 3.26Å; G157-N202 PolarHBondContact O-ND2 3Å; N198-N202 PolarHBondContact O-N 2.76Å; H199-N202 WeakPolarHBondContact O-CB 3.46Å; H199-N202 PolarHBondContact O-N 3.5Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.83Å; N202-K205 PolarHBondContact O-N 3.32Å; N202-K205 VanDerWaalsContact OD1-CE 3.3Å; N202-K205 WeakPolarHBondContact OD1-CE 3.28Å; N202-K205 PolarHBondContact OD1-NZ 2.9Å; N202-L206 VanDerWaalsContact O-CG 3.29Å; N202-L206 WeakPolarHBondContact O-CG 3.28Å; N202-L206 PolarHBondContact O-N 2.77Å
203	L	96.1	Very high	90.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-46.6	175.2	-176.6	70.6	0	0	0	111.7	V177 C179 F182 H199 V200 E201 K205 L206 R207 F217 L239	V177-L203 HydrophobicContact CB-CD1 3.59Å; V177-L203 HydrophobicContact CG1-CD1 3.45Å; V177-L203 VanDerWaalsContact CG1-CD1 3.45Å; V177-L203 HydrophobicContact CG2-CD1 4.31Å; C179-L203 HydrophobicContact CB-CD1 4.23Å; C179-L203 HydrophobicContact CB-CD2 3.77Å; F182-L203 HydrophobicContact CE1-CD2 3.84Å; F182-L203 HydrophobicContact CZ-CD2 4.32Å; H199-L203 PolarHBondContact O-N 3.23Å; V200-L203 WeakPolarHBondContact O-CB 3.38Å; V200-L203 PolarHBondContact O-N 3.38Å; V200-L203 VanDerWaalsContact O-N 3.15Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.03Å; L203-K205 PolarHBondContact O-N 3.47Å; L203-L206 PolarHBondContact O-N 3.15Å; L203-R207 PolarHBondContact O-N 3.22Å; L203-F217 HydrophobicContact CD1-CE2 4.33Å; L203-F217 HydrophobicContact CD1-CZ 3.66Å; L203-F217 HydrophobicContact CG-CZ 4.21Å; L203-L239 HydrophobicContact CD2-CD1 3.49Å; L203-L239 VanDerWaalsContact CD2-CD1 3.49Å; L203-L239 HydrophobicContact CG-CD1 4.05Å
204	Q	96.3	Very high	91.3	Very high	109 Å²	109	66.4 Å²	66.4	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-46	176.8	-69.8	174.9	-8.5	0	0	111.4	V200 E201 L206 R207 T208 L239	V200-Q204 PolarHBondContact O-N 3.02Å; E201-Q204 PolarHBondContact O-N 3.08Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; Q204-L206 PolarHBondContact O-N 3.33Å; Q204-R207 WeakPolarHBondContact O-CB 3.43Å; Q204-R207 PolarHBondContact O-N 3.21Å; Q204-R207 VanDerWaalsContact O-N 3.15Å; Q204-T208 PolarHBondContact O-N 3.17Å; Q204-T208 PolarHBondContact O-OG1 3.41Å; Q204-L239 HydrophobicContact CG-CD2 4.3Å
205	K	97.1	Very high	92.6	Very high	75 Å²	75	63.5 Å²	63.5	33%	0.326	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-43	175.1	-179.8	-168.1	71.2	-164.6	0	112.2	E201 N202 L203 R207 T208 W209	E201-K205 PolarHBondContact O-N 3.45Å; N202-K205 PolarHBondContact O-N 3.32Å; N202-K205 VanDerWaalsContact OD1-CE 3.3Å; N202-K205 WeakPolarHBondContact OD1-CE 3.28Å; N202-K205 PolarHBondContact OD1-NZ 2.9Å; L203-K205 PolarHBondContact O-N 3.47Å; K205-R207 VanDerWaalsContact C-N 3.34Å; K205-T208 WeakPolarHBondContact O-CB 3.44Å; K205-T208 PolarHBondContact O-N 3.44Å; K205-W209 HydrophobicContact CD-CH2 3.71Å; K205-W209 HydrophobicContact CD-CZ2 3.62Å; K205-W209 HydrophobicContact CD-CZ3 4.39Å; K205-W209 VanDerWaalsContact CE-CH2 3.42Å; K205-W209 HydrophobicContact CG-CD2 4.35Å; K205-W209 HydrophobicContact CG-CH2 4.21Å; K205-W209 HydrophobicContact CG-CZ2 3.82Å; K205-W209 PolarHBondContact O-N 2.86Å
206	L	98	Very high	93.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-35.4	177	-67.7	175.1	0	0	0	112.2	G157 I160 F165 V177 N202 L203 Q204 T208 W209 C210	G157-L206 VanDerWaalsContact CA-CD1 3.49Å; I160-L206 HydrophobicContact CB-CD2 3.77Å; I160-L206 HydrophobicContact CD1-CD1 4.11Å; I160-L206 HydrophobicContact CD1-CD2 4.11Å; I160-L206 HydrophobicContact CG1-CD2 4.45Å; I160-L206 HydrophobicContact CG2-CD2 3.8Å; F165-L206 HydrophobicContact CE2-CD2 4.36Å; V177-L206 HydrophobicContact CG1-CD1 4.14Å; V177-L206 HydrophobicContact CG2-CB 4.34Å; V177-L206 HydrophobicContact CG2-CD1 3.81Å; N202-L206 VanDerWaalsContact O-CG 3.29Å; N202-L206 WeakPolarHBondContact O-CG 3.28Å; N202-L206 PolarHBondContact O-N 2.77Å; L203-L206 PolarHBondContact O-N 3.15Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; Q204-L206 PolarHBondContact O-N 3.33Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 2.87Å; L206-W209 HydrophobicContact CD2-CE3 3.58Å; L206-W209 HydrophobicContact CD2-CZ3 3.75Å; L206-W209 PolarHBondContact O-N 3.28Å; L206-C210 WeakPolarHBondContact O-CB 3.36Å; L206-C210 PolarHBondContact O-N 3.49Å; L206-C210 PolarHBondContact O-SG 3.33Å
207	R	97.8	Very high	95.2	Very high	35 Å²	35	49.3 Å²	49.3	13%	0.132	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-41.2	172.1	174.4	59.3	-178.9	103.2	-8.3	111.6	L203 Q204 K205 C210 R211 F217 L239 D359	L203-R207 PolarHBondContact O-N 3.22Å; Q204-R207 WeakPolarHBondContact O-CB 3.43Å; Q204-R207 PolarHBondContact O-N 3.21Å; Q204-R207 VanDerWaalsContact O-N 3.15Å; K205-R207 VanDerWaalsContact C-N 3.34Å; R207-C210 PolarHBondContact O-N 3.48Å; R207-R211 PolarHBondContact O-N 3.25Å; R207-R211 VanDerWaalsContact O-N 3.07Å; R207-F217 HydrophobicContact CB-CD1 4.43Å; R207-F217 HydrophobicContact CB-CD2 4.45Å; R207-F217 HydrophobicContact CB-CE1 4.15Å; R207-F217 HydrophobicContact CB-CE2 4.19Å; R207-F217 HydrophobicContact CB-CZ 4.02Å; R207-F217 VanDerWaalsContact CD-CD1 3.4Å; R207-F217 HydrophobicContact CG-CD1 4.39Å; R207-F217 HydrophobicContact CG-CE1 4.43Å; R207-L239 HydrophobicContact CB-CD2 3.91Å; R207-L239 VanDerWaalsContact CD-O 3.27Å; R207-L239 WeakPolarHBondContact CD-O 3.43Å; R207-L239 HydrophobicContact CG-CD2 4.05Å; R207-L239 PolarHBondContact NE-O 3.34Å; R207-D359 IonicContact NH2-OD1 2.76Å
208	T	97.8	Very high	96.1	Very high	57 Å²	57	46 Å²	46	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-49	174.3	-55.7	0	0	0	0	111.2	Q204 K205 L206 C210 R211 D212	Q204-T208 PolarHBondContact O-N 3.17Å; Q204-T208 PolarHBondContact O-OG1 3.41Å; K205-T208 WeakPolarHBondContact O-CB 3.44Å; K205-T208 PolarHBondContact O-N 3.44Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 2.87Å; T208-C210 PolarHBondContact O-N 2.68Å; T208-R211 WeakPolarHBondContact O-CA 3.33Å; T208-R211 VanDerWaalsContact O-CB 3.29Å; T208-R211 WeakPolarHBondContact O-CB 3.43Å; T208-R211 PolarHBondContact O-N 2.91Å; T208-R211 VanDerWaalsContact O-N 3.09Å; T208-D212 WeakPolarHBondContact CG2-OD2 3.43Å; T208-D212 VanDerWaalsContact O-CG 3.23Å; T208-D212 PolarHBondContact O-N 3.24Å
209	W	98.4	Very high	96.7	Very high	32 Å²	32	43.7 Å²	43.7	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-38.8	176.8	-65.1	-21.2	0	0	0	112.9	I160 E162 F165 K205 L206 R211 D212 Y213	I160-W209 HydrophobicContact CG2-CZ3 4.38Å; E162-W209 HydrophobicContact CB-CD2 4.19Å; E162-W209 HydrophobicContact CB-CH2 4.09Å; E162-W209 HydrophobicContact CB-CZ2 3.65Å; E162-W209 HydrophobicContact CG-CD2 4.27Å; E162-W209 HydrophobicContact CG-CG 4.41Å; E162-W209 HydrophobicContact CG-CZ2 4.34Å; F165-W209 HydrophobicContact CD1-CB 4.46Å; F165-W209 HydrophobicContact CD2-CB 4.01Å; F165-W209 HydrophobicContact CD2-CD2 4.47Å; F165-W209 AromaticContact CD2-CE3 3.97Å; F165-W209 HydrophobicContact CD2-CE3 3.97Å; F165-W209 HydrophobicContact CE1-CB 4.3Å; F165-W209 HydrophobicContact CE2-CB 3.84Å; F165-W209 HydrophobicContact CE2-CD2 4.45Å; F165-W209 AromaticContact CE2-CE3 3.77Å; F165-W209 HydrophobicContact CE2-CE3 3.77Å; F165-W209 HydrophobicContact CG-CB 4.3Å; F165-W209 HydrophobicContact CZ-CB 3.97Å; K205-W209 HydrophobicContact CD-CH2 3.71Å; K205-W209 HydrophobicContact CD-CZ2 3.62Å; K205-W209 HydrophobicContact CD-CZ3 4.39Å; K205-W209 VanDerWaalsContact CE-CH2 3.42Å; K205-W209 HydrophobicContact CG-CD2 4.35Å; K205-W209 HydrophobicContact CG-CH2 4.21Å; K205-W209 HydrophobicContact CG-CZ2 3.82Å; K205-W209 PolarHBondContact O-N 2.86Å; L206-W209 HydrophobicContact CD2-CE3 3.58Å; L206-W209 HydrophobicContact CD2-CZ3 3.75Å; L206-W209 PolarHBondContact O-N 3.28Å; W209-R211 PolarHBondContact O-N 3.4Å; W209-D212 PolarHBondContact O-N 2.6Å; W209-Y213 HydrophobicContact CB-CD2 4.26Å; W209-Y213 WeakPolarHBondContact O-CB 3.42Å; W209-Y213 VanDerWaalsContact O-CD2 3.3Å; W209-Y213 WeakPolarHBondContact O-CD2 3.38Å; W209-Y213 PolarHBondContact O-N 2.87Å
210	C	98.3	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-37.4	173.2	-79.5	0	0	0	0	112.2	L206 R207 T208 R214 V215 F217	L206-C210 WeakPolarHBondContact O-CB 3.36Å; L206-C210 PolarHBondContact O-N 3.49Å; L206-C210 PolarHBondContact O-SG 3.33Å; R207-C210 PolarHBondContact O-N 3.48Å; T208-C210 PolarHBondContact O-N 2.68Å; C210-R214 PolarHBondContact O-N 2.81Å; C210-V215 CarbonylContact C-O 3.58Å; C210-V215 HydrophobicContact CB-CB 4.38Å; C210-V215 WeakPolarHBondContact CB-O 3.23Å; C210-V215 PolarHBondContact O-N 3.45Å; C210-V215 VanDerWaalsContact O-O 3.08Å; C210-F217 HydrophobicContact CB-CB 3.95Å; C210-F217 HydrophobicContact CB-CD2 4.15Å; C210-F217 HydrophobicContact CB-CG 4.47Å
211	R	97.1	Very high	97.4	Very high	113 Å²	113	43.2 Å²	43.2	43%	0.426	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-59.7	172.3	-173.3	-167.4	61.7	-162.1	-2.6	110.9	R207 T208 W209 Y213 R214 W360	R207-R211 PolarHBondContact O-N 3.25Å; R207-R211 VanDerWaalsContact O-N 3.07Å; T208-R211 WeakPolarHBondContact O-CA 3.33Å; T208-R211 VanDerWaalsContact O-CB 3.29Å; T208-R211 WeakPolarHBondContact O-CB 3.43Å; T208-R211 PolarHBondContact O-N 2.91Å; T208-R211 VanDerWaalsContact O-N 3.09Å; W209-R211 PolarHBondContact O-N 3.4Å; R211-Y213 PolarHBondContact O-N 3.41Å; R211-Y213 VanDerWaalsContact O-N 3.16Å; R211-R214 PolarHBondContact O-N 2.64Å; R211-W360 HydrophobicContact CB-CB 4.37Å; R211-W360 HydrophobicContact CG-CB 4.16Å; R211-W360 WeakPolarHBondContact CG-OXT 3.44Å
212	D	97.8	Very high	97.8	Very high	82 Å²	82	38.4 Å²	38.4	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-62.1	-31.7	-169.7	-59.8	-14.8	0	0	0	112.4	T208 W209	T208-D212 WeakPolarHBondContact CG2-OD2 3.43Å; T208-D212 VanDerWaalsContact O-CG 3.23Å; T208-D212 PolarHBondContact O-N 3.24Å; W209-D212 PolarHBondContact O-N 2.6Å
213	Y	97.9	Very high	98	Very high	55 Å²	55	37.4 Å²	37.4	22%	0.216	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	14.2	-179.9	-64.3	-86	0	0	0	114	E162 F165 Q166 W209 R211 V215	E162-Y213 HydrophobicContact CG-CE2 3.74Å; E162-Y213 WeakPolarHBondContact CG-OH 3.15Å; E162-Y213 PolarHBondContact OE1-OH 3.03Å; F165-Y213 HydrophobicContact CB-CD1 3.96Å; F165-Y213 HydrophobicContact CB-CD2 3.58Å; F165-Y213 HydrophobicContact CB-CE1 4.32Å; F165-Y213 HydrophobicContact CB-CE2 3.98Å; F165-Y213 HydrophobicContact CB-CG 3.59Å; F165-Y213 HydrophobicContact CD1-CD2 4.21Å; F165-Y213 HydrophobicContact CD1-CG 4.19Å; F165-Y213 HydrophobicContact CG-CD2 4.07Å; F165-Y213 HydrophobicContact CG-CG 4.27Å; Q166-Y213 HydrophobicContact CB-CE1 4.29Å; Q166-Y213 HydrophobicContact CG-CE1 3.56Å; Q166-Y213 WeakPolarHBondContact CG-OH 3.47Å; Q166-Y213 PolarHBondContact NE2-OH 3.41Å; W209-Y213 HydrophobicContact CB-CD2 4.26Å; W209-Y213 WeakPolarHBondContact O-CB 3.42Å; W209-Y213 VanDerWaalsContact O-CD2 3.3Å; W209-Y213 WeakPolarHBondContact O-CD2 3.38Å; W209-Y213 PolarHBondContact O-N 2.87Å; R211-Y213 PolarHBondContact O-N 3.41Å; R211-Y213 VanDerWaalsContact O-N 3.16Å; Y213-V215 PolarHBondContact O-N 2.9Å
214	R	97.4	Very high	98.1	Very high	166 Å²	166	37.4 Å²	37.4	63%	0.626	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	52.7	170.9	-59.9	-172.8	172.2	-178.5	2.2	113.2	C210 R211 K353 W360	C210-R214 PolarHBondContact O-N 2.81Å; R211-R214 PolarHBondContact O-N 2.64Å; R214-K353 WeakPolarHBondContact O-CD 3.41Å; R214-K353 PolarHBondContact O-NZ 3.21Å; R214-K353 VanDerWaalsContact O-NZ 3.09Å; R214-W360 VanDerWaalsContact CA-CE3 3.47Å; R214-W360 HydrophobicContact CB-CD2 4.07Å; R214-W360 HydrophobicContact CB-CE3 3.42Å; R214-W360 VanDerWaalsContact CB-CE3 3.42Å; R214-W360 HydrophobicContact CB-CH2 3.72Å; R214-W360 HydrophobicContact CB-CZ2 4.25Å; R214-W360 HydrophobicContact CB-CZ3 3.26Å; R214-W360 HydrophobicContact CG-CD2 4.4Å; R214-W360 HydrophobicContact CG-CE3 3.4Å; R214-W360 VanDerWaalsContact CG-CE3 3.4Å; R214-W360 HydrophobicContact CG-CH2 4.3Å; R214-W360 HydrophobicContact CG-CZ3 3.37Å
215	V	98.4	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.161	C	C	.	.			trans	-120.2	131.6	177.2	176.6	0	0	0	0	108.6	F165 G169 L172 L175 C210 Y213 F217	F165-V215 HydrophobicContact CD1-CG2 4.17Å; F165-V215 HydrophobicContact CE1-CB 4.29Å; F165-V215 HydrophobicContact CE1-CG2 4.08Å; G169-V215 WeakPolarHBondContact O-CG2 3.33Å; L172-V215 HydrophobicContact CB-CG1 4.48Å; L172-V215 HydrophobicContact CB-CG2 4.38Å; L172-V215 HydrophobicContact CD2-CG1 3.81Å; L172-V215 HydrophobicContact CG-CG1 4.01Å; L175-V215 HydrophobicContact CB-CG1 3.97Å; C210-V215 CarbonylContact C-O 3.58Å; C210-V215 HydrophobicContact CB-CB 4.38Å; C210-V215 WeakPolarHBondContact CB-O 3.23Å; C210-V215 PolarHBondContact O-N 3.45Å; C210-V215 VanDerWaalsContact O-O 3.08Å; Y213-V215 PolarHBondContact O-N 2.9Å; V215-F217 PolarHBondContact O-N 3.36Å
216	A	98.4	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.7	176.5	0	0	0	0	0	110.4	D173 I174 L175 V242 L356 L358	D173-A216 WeakPolarHBondContact O-CB 3.45Å; D173-A216 PolarHBondContact O-N 3.07Å; I174-A216 WeakPolarHBondContact CA-O 3.34Å; I174-A216 HydrophobicContact CB-CB 4.47Å; I174-A216 HydrophobicContact CG1-CB 3.91Å; L175-A216 PolarHBondContact N-O 2.83Å; A216-V242 HydrophobicContact CB-CG1 4.01Å; A216-V242 HydrophobicContact CB-CG2 4.2Å; A216-L356 HydrophobicContact CB-CD1 3.86Å; A216-L358 HydrophobicContact CB-CD1 3.5Å; A216-L358 VanDerWaalsContact CB-CD1 3.5Å
217	F	98.3	Very high	98.3	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.3	-179	-176.4	-106.8	0	0	0	111.2	V177 L203 R207 C210 V215 I219 L239 P241 V242	V177-F217 HydrophobicContact CB-CE2 4.32Å; V177-F217 HydrophobicContact CG2-CE2 3.74Å; V177-F217 HydrophobicContact CG2-CZ 4.46Å; L203-F217 HydrophobicContact CD1-CE2 4.33Å; L203-F217 HydrophobicContact CD1-CZ 3.66Å; L203-F217 HydrophobicContact CG-CZ 4.21Å; R207-F217 HydrophobicContact CB-CD1 4.43Å; R207-F217 HydrophobicContact CB-CD2 4.45Å; R207-F217 HydrophobicContact CB-CE1 4.15Å; R207-F217 HydrophobicContact CB-CE2 4.19Å; R207-F217 HydrophobicContact CB-CZ 4.02Å; R207-F217 VanDerWaalsContact CD-CD1 3.4Å; R207-F217 HydrophobicContact CG-CD1 4.39Å; R207-F217 HydrophobicContact CG-CE1 4.43Å; C210-F217 HydrophobicContact CB-CB 3.95Å; C210-F217 HydrophobicContact CB-CD2 4.15Å; C210-F217 HydrophobicContact CB-CG 4.47Å; V215-F217 PolarHBondContact O-N 3.36Å; F217-I219 HydrophobicContact CD1-CG1 4.37Å; F217-I219 HydrophobicContact CE1-CD1 3.83Å; F217-I219 HydrophobicContact CE1-CG1 3.6Å; F217-I219 HydrophobicContact CZ-CD1 4.42Å; F217-I219 HydrophobicContact CZ-CG1 4.02Å; F217-L239 HydrophobicContact CE1-CB 4.32Å; F217-P241 HydrophobicContact CD1-CB 3.92Å; F217-P241 HydrophobicContact CE1-CB 4.39Å; F217-P241 CarbonylContact O-C 3.59Å; F217-P241 WeakPolarHBondContact O-CA 3.27Å; F217-V242 WeakPolarHBondContact O-CG2 3.48Å; F217-V242 PolarHBondContact O-N 3.04Å
218	K	98.6	Very high	98.3	Very high	21 Å²	21	36.2 Å²	36.2	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.2	179.4	166.4	166.9	-179.4	-105.5	0	109.8	I174 L175 A176 V177 N220 R243 K245	I174-K218 HydrophobicContact CG2-CB 3.69Å; I174-K218 HydrophobicContact CG2-CD 4.11Å; L175-K218 PolarHBondContact O-N 3.14Å; A176-K218 CarbonylContact C-O 3.28Å; A176-K218 VanDerWaalsContact CA-O 3.27Å; A176-K218 WeakPolarHBondContact CA-O 3.32Å; A176-K218 HydrophobicContact CB-CB 3.91Å; A176-K218 HydrophobicContact CB-CD 3.86Å; A176-K218 HydrophobicContact CB-CG 3.62Å; V177-K218 PolarHBondContact N-O 2.86Å; K218-N220 WeakPolarHBondContact CE-OD1 3.27Å; K218-N220 PolarHBondContact NZ-OD1 2.76Å; K218-R243 WeakPolarHBondContact CA-O 3.34Å; K218-R243 HydrophobicContact CD-CB 4.16Å; K218-R243 HydrophobicContact CG-CB 4.3Å; K218-R243 WeakPolarHBondContact CG-O 3.27Å; K218-K245 VanDerWaalsContact CE-CG 3.45Å
219	I	98.7	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.1	171.8	-61.5	175.8	0	0	0	109.1	V177 C179 F217 I236 L239 P241 R243 W244 K245	V177-I219 WeakPolarHBondContact O-CA 3.45Å; C179-I219 HydrophobicContact CB-CG2 4.24Å; F217-I219 HydrophobicContact CD1-CG1 4.37Å; F217-I219 HydrophobicContact CE1-CD1 3.83Å; F217-I219 HydrophobicContact CE1-CG1 3.6Å; F217-I219 HydrophobicContact CZ-CD1 4.42Å; F217-I219 HydrophobicContact CZ-CG1 4.02Å; I219-I236 HydrophobicContact CD1-CD1 3.59Å; I219-I236 HydrophobicContact CG2-CD1 4.22Å; I219-L239 HydrophobicContact CD1-CB 4.2Å; I219-L239 HydrophobicContact CD1-CD1 3.7Å; I219-P241 HydrophobicContact CD1-CB 4.26Å; I219-P241 HydrophobicContact CD1-CG 4.02Å; I219-P241 HydrophobicContact CG1-CB 4.05Å; I219-P241 HydrophobicContact CG1-CG 4.26Å; I219-R243 PolarHBondContact N-O 3.06Å; I219-W244 CarbonylContact O-C 3.58Å; I219-W244 WeakPolarHBondContact O-CA 3.34Å; I219-K245 PolarHBondContact O-N 2.72Å
220	N	98.8	Very high	98.4	Very high	11 Å²	11	39 Å²	39	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	168.7	-77.7	4.6	0	0	0	108.3	V177 S178 C179 K218 K245 F247	V177-N220 PolarHBondContact O-N 3.47Å; S178-N220 CarbonylContact C-O 3.53Å; S178-N220 WeakPolarHBondContact CA-O 3.47Å; C179-N220 PolarHBondContact N-O 3.28Å; K218-N220 WeakPolarHBondContact CE-OD1 3.27Å; K218-N220 PolarHBondContact NZ-OD1 2.76Å; N220-K245 CarbonylContact C-O 3.51Å; N220-K245 WeakPolarHBondContact CA-O 3.46Å; N220-F247 HydrophobicContact CB-CE2 3.83Å
221	S	98.8	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132	177.8	-54.5	0	0	0	0	110.5	C179 D180 W244 K245 F247	C179-S221 WeakPolarHBondContact O-CB 3.41Å; C179-S221 PolarHBondContact O-OG 3.36Å; D180-S221 VanDerWaalsContact OD1-CA 3.29Å; D180-S221 WeakPolarHBondContact OD1-CA 3.36Å; S221-W244 PolarHBondContact OG-NE1 3Å; S221-K245 PolarHBondContact N-O 2.99Å; S221-F247 WeakPolarHBondContact O-CB 3.46Å; S221-F247 WeakPolarHBondContact O-CD2 3.32Å; S221-F247 PolarHBondContact O-N 3.44Å
222	V	98.7	Very high	98.5	Very high	27 Å²	27	37.8 Å²	37.8	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.5	170	-177.4	0	0	0	0	108.9	F88 D180 N224 N227 F247 C249	F88-V222 HydrophobicContact CD1-CG1 4.49Å; F88-V222 HydrophobicContact CD2-CB 4.49Å; F88-V222 HydrophobicContact CD2-CG1 4.17Å; F88-V222 HydrophobicContact CE2-CB 4.13Å; F88-V222 HydrophobicContact CE2-CG1 4.3Å; F88-V222 HydrophobicContact CE2-CG2 4.16Å; F88-V222 HydrophobicContact CG-CG1 4.35Å; F88-V222 HydrophobicContact CZ-CB 4.25Å; D180-V222 PolarHBondContact OD1-N 3.19Å; V222-N224 PolarHBondContact O-ND2 2.85Å; V222-N227 PolarHBondContact O-ND2 2.79Å; V222-F247 CarbonylContact C-O 3.53Å; V222-F247 HydrophobicContact CG2-CB 4.37Å; V222-F247 HydrophobicContact CG2-CD2 4.41Å; V222-C249 HydrophobicContact CG1-CB 4.06Å
223	I	98.7	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.9	177.1	-45.5	-49.9	0	0	0	108.4	N227 V228 V246 F247 C249 I270 F275 F278	I223-N227 WeakPolarHBondContact CA-OD1 3.39Å; I223-V228 HydrophobicContact CG2-CB 4.13Å; I223-V228 HydrophobicContact CG2-CG2 4.09Å; I223-V246 HydrophobicContact CD1-CG1 3.95Å; I223-V246 HydrophobicContact CG1-CG1 3.44Å; I223-V246 VanDerWaalsContact CG1-CG1 3.44Å; I223-F247 PolarHBondContact N-O 2.8Å; I223-C249 WeakPolarHBondContact O-CB 3.39Å; I223-C249 PolarHBondContact O-N 2.85Å; I223-I270 HydrophobicContact CB-CD1 4.11Å; I223-I270 HydrophobicContact CG2-CD1 3.67Å; I223-F275 HydrophobicContact CB-CD2 4.03Å; I223-F275 HydrophobicContact CB-CE2 4.06Å; I223-F275 HydrophobicContact CG1-CD2 4.31Å; I223-F275 HydrophobicContact CG1-CE2 3.92Å; I223-F275 HydrophobicContact CG2-CD2 4.37Å; I223-F278 HydrophobicContact CD1-CD1 4.05Å; I223-F278 HydrophobicContact CD1-CD2 4.26Å; I223-F278 HydrophobicContact CD1-CE1 3.51Å; I223-F278 HydrophobicContact CD1-CE2 3.74Å; I223-F278 HydrophobicContact CD1-CG 4.42Å; I223-F278 HydrophobicContact CD1-CZ 3.34Å; I223-F278 HydrophobicContact CG1-CD1 3.89Å; I223-F278 HydrophobicContact CG1-CD2 4.49Å; I223-F278 HydrophobicContact CG1-CE1 3.84Å; I223-F278 HydrophobicContact CG1-CE2 4.43Å; I223-F278 HydrophobicContact CG1-CG 4.26Å; I223-F278 HydrophobicContact CG1-CZ 4.13Å; I223-F278 HydrophobicContact CG2-CB 4.22Å; I223-F278 HydrophobicContact CG2-CD1 4.36Å; I223-F278 HydrophobicContact CG2-CD2 3.84Å; I223-F278 HydrophobicContact CG2-CE2 4.33Å; I223-F278 HydrophobicContact CG2-CG 3.87Å
224	N	98.7	Very high	98.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.17	C	C	.	.			trans	-146.8	176.2	-169.1	69.6	78	0	0	0	110	F88 I190 V222 F226 N227 V228 C249 F268 I270	F88-N224 HydrophobicContact CD1-CB 4.39Å; I190-N224 WeakPolarHBondContact CD1-ND2 3.45Å; V222-N224 PolarHBondContact O-ND2 2.85Å; N224-F226 PolarHBondContact O-N 3Å; N224-F226 WeakPolarHBondContact OD1-CB 3.12Å; N224-F226 WeakPolarHBondContact OD1-CD2 3.38Å; N224-F226 PolarHBondContact OD1-N 3.46Å; N224-N227 PolarHBondContact N-OD1 2.81Å; N224-N227 PolarHBondContact ND2-ND2 3.45Å; N224-N227 PolarHBondContact ND2-OD1 3.16Å; N224-N227 PolarHBondContact O-N 3.18Å; N224-N227 VanDerWaalsContact O-N 3.14Å; N224-N227 PolarHBondContact O-OD1 3.47Å; N224-V228 WeakPolarHBondContact O-CB 3.2Å; N224-V228 PolarHBondContact O-N 3.29Å; N224-C249 HydrophobicContact CB-CB 4.17Å; N224-F268 CarbonylContact C-O 3.59Å; N224-F268 VanDerWaalsContact CA-O 3.22Å; N224-F268 WeakPolarHBondContact CA-O 3.45Å; N224-F268 HydrophobicContact CB-CB 4.09Å; N224-F268 HydrophobicContact CB-CD1 4.41Å; N224-F268 VanDerWaalsContact CB-O 3.26Å; N224-F268 WeakPolarHBondContact CB-O 3.34Å; N224-I270 VanDerWaalsContact C-CG2 3.47Å
225	R	98.6	Very high	98.6	Very high	108 Å²	108	33.4 Å²	33.4	41%	0.408	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-32	-176.1	-177.2	55.9	58.1	-161.1	-8.2	114.4	R267 F268 V269 E274	R225-R267 WeakPolarHBondContact CB-O 3.33Å; R225-F268 PolarHBondContact N-O 2.94Å; R225-V269 PolarHBondContact NH2-O 2.79Å; R225-V269 VanDerWaalsContact NH2-O 3.12Å; R225-E274 IonicContact CZ-OE1 3.58Å; R225-E274 IonicContact CZ-OE2 2.91Å; R225-E274 IonicContact NH1-OE1 3.22Å; R225-E274 PolarHBondContact NH1-OE1 3.44Å; R225-E274 IonicContact NH1-OE2 3.55Å; R225-E274 IonicContact NH2-OE1 2.7Å; R225-E274 IonicContact NH2-OE2 3.54Å; R225-E274 PolarHBondContact NH2-OE2 2.79Å
226	F	98.5	Very high	98.6	Very high	80 Å²	80	33.4 Å²	33.4	35%	0.351	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.8	-172.7	-57	-71.5	0	0	0	114.5	V186 I190 N224 F268	V186-F226 HydrophobicContact CG1-CB 4.08Å; I190-F226 HydrophobicContact CG1-CB 4.32Å; I190-F226 HydrophobicContact CG1-CD2 4.27Å; N224-F226 PolarHBondContact O-N 3Å; N224-F226 WeakPolarHBondContact OD1-CB 3.12Å; N224-F226 WeakPolarHBondContact OD1-CD2 3.38Å; N224-F226 PolarHBondContact OD1-N 3.46Å; F226-F268 AromaticContact CD2-CD1 3.57Å; F226-F268 HydrophobicContact CD2-CD1 3.57Å; F226-F268 AromaticContact CD2-CE1 3.58Å; F226-F268 HydrophobicContact CD2-CE1 3.58Å; F226-F268 AromaticContact CE2-CD1 3.45Å; F226-F268 HydrophobicContact CE2-CD1 3.45Å; F226-F268 VanDerWaalsContact CE2-CD1 3.45Å; F226-F268 AromaticContact CE2-CE1 3.31Å; F226-F268 HydrophobicContact CE2-CE1 3.31Å; F226-F268 HydrophobicContact CE2-CG 4.23Å; F226-F268 HydrophobicContact CE2-CZ 4Å
227	N	98.6	Very high	98.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	0.8	-177.7	67.2	1.8	0	0	0	113.8	D180 V186 V222 I223 N224 E229 E230 M232	D180-N227 PolarHBondContact O-ND2 3.45Å; V186-N227 HydrophobicContact CG1-CB 4.31Å; V222-N227 PolarHBondContact O-ND2 2.79Å; I223-N227 WeakPolarHBondContact CA-OD1 3.39Å; N224-N227 PolarHBondContact N-OD1 2.81Å; N224-N227 PolarHBondContact ND2-ND2 3.45Å; N224-N227 PolarHBondContact ND2-OD1 3.16Å; N224-N227 PolarHBondContact O-N 3.18Å; N224-N227 VanDerWaalsContact O-N 3.14Å; N224-N227 PolarHBondContact O-OD1 3.47Å; N227-E229 PolarHBondContact O-N 3.33Å; N227-E229 VanDerWaalsContact O-N 3.15Å; N227-E230 HydrophobicContact CB-CB 4.49Å; N227-E230 VanDerWaalsContact O-CB 3.23Å; N227-E230 WeakPolarHBondContact O-CB 3.39Å; N227-E230 PolarHBondContact O-N 3.23Å; N227-M232 HydrophobicContact CB-CE 4.16Å
228	V	98.8	Very high	98.4	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.9	-175.9	68.1	0	0	0	0	113.6	I223 N224 I270 E274 R281	I223-V228 HydrophobicContact CG2-CB 4.13Å; I223-V228 HydrophobicContact CG2-CG2 4.09Å; N224-V228 WeakPolarHBondContact O-CB 3.2Å; N224-V228 PolarHBondContact O-N 3.29Å; V228-I270 HydrophobicContact CB-CD1 4.34Å; V228-I270 HydrophobicContact CB-CG2 4.18Å; V228-I270 HydrophobicContact CG1-CG2 4.32Å; V228-I270 HydrophobicContact CG2-CD1 3.78Å; V228-I270 HydrophobicContact CG2-CG2 4.32Å; V228-E274 HydrophobicContact CG2-CB 3.85Å; V228-E274 WeakPolarHBondContact CG2-O 3.45Å; V228-R281 PolarHBondContact O-NH1 3Å; V228-R281 PolarHBondContact O-NH2 3.13Å; V228-R281 VanDerWaalsContact O-NH2 3.16Å
229	E	98.6	Very high	98.3	Very high	115 Å²	115	41.2 Å²	41.2	54%	0.537	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.8	176	-59.3	-55.6	156	0	0	113.9	N227 R277 R281	N227-E229 PolarHBondContact O-N 3.33Å; N227-E229 VanDerWaalsContact O-N 3.15Å; E229-R277 IonicContact OE1-NH2 2.68Å; E229-R277 PolarHBondContact OE1-NH2 3.34Å; E229-R281 IonicContact OE2-NH2 2.87Å; E229-R281 PolarHBondContact OE2-NH2 3.01Å
230	E	98.6	Very high	98.2	Very high	33 Å²	33	44.7 Å²	44.7	15%	0.154	23%	0.226	C	C	.	.			trans	-71.3	141.9	-178.9	-168.9	175.8	153.6	0	0	111.7	S181 F182 N227 M232 R281 H282	S181-E230 VanDerWaalsContact CB-OE2 3.24Å; S181-E230 WeakPolarHBondContact CB-OE2 3.4Å; S181-E230 VanDerWaalsContact OG-CD 3.27Å; S181-E230 PolarHBondContact OG-OE1 2.8Å; S181-E230 PolarHBondContact OG-OE2 2.9Å; F182-E230 PolarHBondContact N-OE1 2.79Å; N227-E230 HydrophobicContact CB-CB 4.49Å; N227-E230 VanDerWaalsContact O-CB 3.23Å; N227-E230 WeakPolarHBondContact O-CB 3.39Å; N227-E230 PolarHBondContact O-N 3.23Å; E230-M232 HydrophobicContact CB-CE 4.03Å; E230-M232 HydrophobicContact CB-CG 4.48Å; E230-M232 HydrophobicContact CG-CE 4.07Å; E230-M232 HydrophobicContact CG-CG 3.94Å; E230-R281 PolarHBondContact O-NH1 2.96Å; E230-H282 PolarHBondContact O-CE1 2.85Å; E230-H282 VanDerWaalsContact O-CE1 3.27Å
231	D	98.6	Very high	98.1	Very high	86 Å²	86	44.3 Å²	44.3	46%	0.46	22%	0.224	S	C	.	.			trans	-102	116.2	164.8	-166.1	-21.8	0	0	0	109.2	T233 H282	D231-T233 WeakPolarHBondContact OD1-CB 3.28Å; D231-T233 PolarHBondContact OD1-N 3.26Å; D231-T233 PolarHBondContact OD1-OG1 3.08Å; D231-H282 IonicContact OD1-CD2 3.63Å; D231-H282 IonicContact OD1-NE2 3.08Å
232	M	98.6	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.			trans	-108.4	4.5	-177.5	-55.8	-174.7	-172.1	0	0	111.9	D180 F182 N227 E230 E234 Q235 I236 W244 F278 H282	D180-M232 WeakPolarHBondContact O-CE 3.24Å; F182-M232 HydrophobicContact CD2-CB 3.95Å; F182-M232 HydrophobicContact CD2-CG 3.89Å; F182-M232 HydrophobicContact CD2-SD 4.25Å; F182-M232 HydrophobicContact CE2-CB 3.87Å; F182-M232 HydrophobicContact CE2-CG 4.14Å; F182-M232 HydrophobicContact CE2-SD 4.19Å; N227-M232 HydrophobicContact CB-CE 4.16Å; E230-M232 HydrophobicContact CB-CE 4.03Å; E230-M232 HydrophobicContact CB-CG 4.48Å; E230-M232 HydrophobicContact CG-CE 4.07Å; E230-M232 HydrophobicContact CG-CG 3.94Å; M232-E234 PolarHBondContact O-N 3.41Å; M232-Q235 VanDerWaalsContact C-OE1 3.24Å; M232-Q235 PolarHBondContact O-N 3.38Å; M232-Q235 PolarHBondContact O-OE1 2.99Å; M232-I236 HydrophobicContact CB-CG1 4.06Å; M232-I236 WeakPolarHBondContact O-CB 3.32Å; M232-I236 VanDerWaalsContact O-CG1 3.24Å; M232-I236 WeakPolarHBondContact O-CG1 3.29Å; M232-I236 PolarHBondContact O-N 2.71Å; M232-W244 HydrophobicContact CB-CH2 4.11Å; M232-W244 HydrophobicContact CB-CZ2 4.32Å; M232-W244 HydrophobicContact SD-CH2 4.45Å; M232-W244 HydrophobicContact SD-CZ2 3.87Å; M232-F278 HydrophobicContact CE-CE2 3.98Å; M232-F278 HydrophobicContact CE-CZ 4.07Å; M232-F278 HydrophobicContact CG-CZ 4.49Å; M232-F278 HydrophobicContact SD-CE2 4.42Å; M232-F278 HydrophobicContact SD-CZ 3.98Å; M232-H282 PolarHBondContact N-NE2 3.19Å
233	T	98.4	Very high	98	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-51.6	-168	-61	0	0	0	0	112.1	D231 K237 H282 V285	D231-T233 WeakPolarHBondContact OD1-CB 3.28Å; D231-T233 PolarHBondContact OD1-N 3.26Å; D231-T233 PolarHBondContact OD1-OG1 3.08Å; T233-K237 HydrophobicContact CG2-CD 3.91Å; T233-K237 VanDerWaalsContact CG2-CE 3.49Å; T233-K237 WeakPolarHBondContact O-CB 3.42Å; T233-K237 VanDerWaalsContact O-CG 3.26Å; T233-K237 WeakPolarHBondContact O-CG 3.34Å; T233-K237 PolarHBondContact O-N 3.39Å; T233-H282 PolarHBondContact OG1-CD2 2.89Å; T233-H282 VanDerWaalsContact OG1-CD2 3.28Å; T233-V285 HydrophobicContact CG2-CG2 4.02Å
234	E	98.1	Very high	98	Very high	129 Å²	129	46.8 Å²	46.8	60%	0.603	24%	0.235	S	C	*	.	H	α-helix	trans	-68.2	-39.8	-175.8	-66.1	-54.5	115.9	0	0	111.9	M232 K237 A238	M232-E234 PolarHBondContact O-N 3.41Å; E234-K237 PolarHBondContact O-N 2.85Å; E234-K237 IonicContact OE1-NZ 3.67Å; E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.38Å; E234-A238 PolarHBondContact O-N 2.97Å
235	Q	98.3	Very high	98	Very high	72 Å²	72	47.2 Å²	47.2	34%	0.336	24%	0.237	S	C	.	.	H	α-helix	trans	-68.6	-41.8	-179.9	-58.6	87.1	-24.6	0	0	111.2	F182 M232 A238 L239	F182-Q235 HydrophobicContact CB-CG 4.01Å; F182-Q235 HydrophobicContact CD1-CB 3.59Å; F182-Q235 HydrophobicContact CD1-CG 3.83Å; F182-Q235 HydrophobicContact CD2-CB 3.72Å; F182-Q235 HydrophobicContact CD2-CG 4.04Å; F182-Q235 HydrophobicContact CE1-CB 3.56Å; F182-Q235 HydrophobicContact CE1-CG 4.32Å; F182-Q235 HydrophobicContact CE2-CB 3.69Å; F182-Q235 HydrophobicContact CG-CB 3.67Å; F182-Q235 HydrophobicContact CG-CG 3.67Å; F182-Q235 HydrophobicContact CZ-CB 3.61Å; M232-Q235 VanDerWaalsContact C-OE1 3.24Å; M232-Q235 PolarHBondContact O-N 3.38Å; M232-Q235 PolarHBondContact O-OE1 2.99Å; Q235-A238 PolarHBondContact O-N 3.23Å; Q235-L239 WeakPolarHBondContact O-CB 3.36Å; Q235-L239 WeakPolarHBondContact O-CG 3.41Å; Q235-L239 PolarHBondContact O-N 2.92Å
236	I	98.4	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-43.7	175.8	-63.9	-69.4	0	0	0	110.7	F182 I219 M232 A238 L239 N240 P241 W244 V285	F182-I236 HydrophobicContact CE2-CD1 3.86Å; F182-I236 HydrophobicContact CE2-CG1 4.03Å; F182-I236 HydrophobicContact CZ-CD1 3.78Å; F182-I236 HydrophobicContact CZ-CG1 4.26Å; I219-I236 HydrophobicContact CD1-CD1 3.59Å; I219-I236 HydrophobicContact CG2-CD1 4.22Å; M232-I236 HydrophobicContact CB-CG1 4.06Å; M232-I236 WeakPolarHBondContact O-CB 3.32Å; M232-I236 VanDerWaalsContact O-CG1 3.24Å; M232-I236 WeakPolarHBondContact O-CG1 3.29Å; M232-I236 PolarHBondContact O-N 2.71Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.23Å; I236-L239 PolarHBondContact O-N 3.43Å; I236-N240 PolarHBondContact O-N 2.84Å; I236-P241 HydrophobicContact CG2-CG 4Å; I236-P241 WeakPolarHBondContact O-CD 3.32Å; I236-W244 HydrophobicContact CB-CE3 4.38Å; I236-W244 HydrophobicContact CB-CZ3 4.46Å; I236-W244 HydrophobicContact CD1-CD2 3.94Å; I236-W244 HydrophobicContact CD1-CE3 4.44Å; I236-W244 HydrophobicContact CD1-CG 4.2Å; I236-W244 HydrophobicContact CD1-CZ2 4.18Å; I236-W244 HydrophobicContact CG1-CD2 4.04Å; I236-W244 HydrophobicContact CG1-CE3 4.05Å; I236-W244 HydrophobicContact CG1-CH2 4.01Å; I236-W244 HydrophobicContact CG1-CZ2 4.01Å; I236-W244 HydrophobicContact CG1-CZ3 4.01Å; I236-W244 HydrophobicContact CG2-CB 4.46Å; I236-W244 HydrophobicContact CG2-CD2 4.1Å; I236-W244 HydrophobicContact CG2-CE3 3.82Å; I236-W244 HydrophobicContact CG2-CG 4.41Å; I236-W244 HydrophobicContact CG2-CZ3 4.34Å; I236-V285 HydrophobicContact CB-CG1 4.49Å; I236-V285 HydrophobicContact CG2-CG1 3.62Å
237	K	97.4	Very high	98	Very high	85 Å²	85	39.4 Å²	39.4	37%	0.37	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-44.3	174.4	-76.5	175.6	-179.3	170.5	0	111	T233 E234 L239 N240 E284	T233-K237 HydrophobicContact CG2-CD 3.91Å; T233-K237 VanDerWaalsContact CG2-CE 3.49Å; T233-K237 WeakPolarHBondContact O-CB 3.42Å; T233-K237 VanDerWaalsContact O-CG 3.26Å; T233-K237 WeakPolarHBondContact O-CG 3.34Å; T233-K237 PolarHBondContact O-N 3.39Å; E234-K237 PolarHBondContact O-N 2.85Å; E234-K237 IonicContact OE1-NZ 3.67Å; K237-L239 PolarHBondContact O-N 3.09Å; K237-N240 PolarHBondContact O-N 3.46Å; K237-N240 VanDerWaalsContact O-N 3.16Å; K237-E284 IonicContact NZ-OE2 2.76Å; K237-E284 PolarHBondContact NZ-OE2 2.96Å
238	A	96.4	Very high	98	Very high	87 Å²	87	39.5 Å²	39.5	72%	0.719	21%	0.206	S	C	*	.	H	α-helix	trans	-64.8	-37.3	178.4	0	0	0	0	0	113.2	E234 Q235 I236 N240	E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.38Å; E234-A238 PolarHBondContact O-N 2.97Å; Q235-A238 PolarHBondContact O-N 3.23Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.23Å; A238-N240 VanDerWaalsContact C-N 3.29Å
239	L	96.7	Very high	97.9	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-75.7	-18	175.7	-73.1	170.8	0	0	0	113.2	F182 L203 Q204 R207 F217 I219 Q235 I236 K237	F182-L239 HydrophobicContact CE1-CD1 3.69Å; F182-L239 HydrophobicContact CZ-CD1 3.89Å; L203-L239 HydrophobicContact CD2-CD1 3.49Å; L203-L239 VanDerWaalsContact CD2-CD1 3.49Å; L203-L239 HydrophobicContact CG-CD1 4.05Å; Q204-L239 HydrophobicContact CG-CD2 4.3Å; R207-L239 HydrophobicContact CB-CD2 3.91Å; R207-L239 VanDerWaalsContact CD-O 3.27Å; R207-L239 WeakPolarHBondContact CD-O 3.43Å; R207-L239 HydrophobicContact CG-CD2 4.05Å; R207-L239 PolarHBondContact NE-O 3.34Å; F217-L239 HydrophobicContact CE1-CB 4.32Å; I219-L239 HydrophobicContact CD1-CB 4.2Å; I219-L239 HydrophobicContact CD1-CD1 3.7Å; Q235-L239 WeakPolarHBondContact O-CB 3.36Å; Q235-L239 WeakPolarHBondContact O-CG 3.41Å; Q235-L239 PolarHBondContact O-N 2.92Å; I236-L239 PolarHBondContact O-N 3.43Å; K237-L239 PolarHBondContact O-N 3.09Å
240	N	96.2	Very high	97.8	Very high	74 Å²	74	34.8 Å²	34.8	40%	0.396	18%	0.184	S	C	.	.			trans	40.6	58.9	179.7	-167.6	29.2	0	0	0	113.6	I236 K237 A238 D359	I236-N240 PolarHBondContact O-N 2.84Å; K237-N240 PolarHBondContact O-N 3.46Å; K237-N240 VanDerWaalsContact O-N 3.16Å; A238-N240 VanDerWaalsContact C-N 3.29Å; N240-D359 PolarHBondContact ND2-OD1 3.03Å; N240-D359 PolarHBondContact ND2-OD2 3.4Å
241	P	97.3	Very high	97.7	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.019	19%	0.193	C	C	.	.			trans	-72.9	148.3	176.3	32.7	-35.3	0	0	0	110.6	F217 I219 I236 R243 W244 C287	F217-P241 HydrophobicContact CD1-CB 3.92Å; F217-P241 HydrophobicContact CE1-CB 4.39Å; F217-P241 CarbonylContact O-C 3.59Å; F217-P241 WeakPolarHBondContact O-CA 3.27Å; I219-P241 HydrophobicContact CD1-CB 4.26Å; I219-P241 HydrophobicContact CD1-CG 4.02Å; I219-P241 HydrophobicContact CG1-CB 4.05Å; I219-P241 HydrophobicContact CG1-CG 4.26Å; I236-P241 HydrophobicContact CG2-CG 4Å; I236-P241 WeakPolarHBondContact O-CD 3.32Å; P241-R243 PolarHBondContact O-N 3.25Å; P241-W244 HydrophobicContact CG-CB 4.41Å; P241-C287 WeakPolarHBondContact O-CB 3.33Å; P241-C287 PolarHBondContact O-SG 3.3Å
242	V	97.3	Very high	97.6	Very high	44 Å²	44	32.2 Å²	32.2	27%	0.267	17%	0.171	S	C	.	.	S	Bend	trans	-66.1	-21.7	176.9	-45	0	0	0	0	112.1	A216 F217 L358	A216-V242 HydrophobicContact CB-CG1 4.01Å; A216-V242 HydrophobicContact CB-CG2 4.2Å; F217-V242 WeakPolarHBondContact O-CG2 3.48Å; F217-V242 PolarHBondContact O-N 3.04Å; V242-L358 HydrophobicContact CB-CD2 4.11Å; V242-L358 HydrophobicContact CG1-CD1 4.24Å; V242-L358 HydrophobicContact CG1-CD2 3.18Å; V242-L358 HydrophobicContact CG1-CG 4.38Å
243	R	97.7	Very high	97.5	Very high	35 Å²	35	36.3 Å²	36.3	13%	0.132	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	134.1	-179.2	-159.5	165.6	-171.9	72	-4.4	108.6	K218 I219 P241 V289 G346	K218-R243 WeakPolarHBondContact CA-O 3.34Å; K218-R243 HydrophobicContact CD-CB 4.16Å; K218-R243 HydrophobicContact CG-CB 4.3Å; K218-R243 WeakPolarHBondContact CG-O 3.27Å; I219-R243 PolarHBondContact N-O 3.06Å; P241-R243 PolarHBondContact O-N 3.25Å; R243-V289 HydrophobicContact CG-CG2 3.82Å; R243-V289 VanDerWaalsContact CZ-CG2 3.45Å; R243-G346 PolarHBondContact NH2-O 3.14Å
244	W	98.6	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	106.7	169.6	178.1	29.9	0	0	0	108.7	I219 S221 M232 I236 P241 V246 F278 H282 V285 C287 L288 V289	I219-W244 CarbonylContact O-C 3.58Å; I219-W244 WeakPolarHBondContact O-CA 3.34Å; S221-W244 PolarHBondContact OG-NE1 3Å; M232-W244 HydrophobicContact CB-CH2 4.11Å; M232-W244 HydrophobicContact CB-CZ2 4.32Å; M232-W244 HydrophobicContact SD-CH2 4.45Å; M232-W244 HydrophobicContact SD-CZ2 3.87Å; I236-W244 HydrophobicContact CB-CE3 4.38Å; I236-W244 HydrophobicContact CB-CZ3 4.46Å; I236-W244 HydrophobicContact CD1-CD2 3.94Å; I236-W244 HydrophobicContact CD1-CE3 4.44Å; I236-W244 HydrophobicContact CD1-CG 4.2Å; I236-W244 HydrophobicContact CD1-CZ2 4.18Å; I236-W244 HydrophobicContact CG1-CD2 4.04Å; I236-W244 HydrophobicContact CG1-CE3 4.05Å; I236-W244 HydrophobicContact CG1-CH2 4.01Å; I236-W244 HydrophobicContact CG1-CZ2 4.01Å; I236-W244 HydrophobicContact CG1-CZ3 4.01Å; I236-W244 HydrophobicContact CG2-CB 4.46Å; I236-W244 HydrophobicContact CG2-CD2 4.1Å; I236-W244 HydrophobicContact CG2-CE3 3.82Å; I236-W244 HydrophobicContact CG2-CG 4.41Å; I236-W244 HydrophobicContact CG2-CZ3 4.34Å; P241-W244 HydrophobicContact CG-CB 4.41Å; W244-V246 HydrophobicContact CD2-CG2 3.61Å; W244-V246 VanDerWaalsContact CE2-CG2 3.41Å; W244-V246 HydrophobicContact CE3-CG2 4.08Å; W244-V246 HydrophobicContact CG-CG2 4.03Å; W244-V246 HydrophobicContact CH2-CG2 4.24Å; W244-V246 HydrophobicContact CZ2-CG2 3.75Å; W244-V246 HydrophobicContact CZ3-CG2 4.39Å; W244-F278 HydrophobicContact CH2-CE1 4.03Å; W244-F278 HydrophobicContact CH2-CZ 4.03Å; W244-F278 HydrophobicContact CZ2-CE1 4.15Å; W244-F278 HydrophobicContact CZ2-CZ 4.04Å; W244-H282 HydrophobicContact CH2-CB 4.22Å; W244-H282 AromaticContact CH2-CD2 3.69Å; W244-H282 AromaticContact CH2-CG 3.86Å; W244-H282 HydrophobicContact CZ3-CB 3.97Å; W244-V285 HydrophobicContact CE3-CB 4.24Å; W244-V285 HydrophobicContact CE3-CG1 3.68Å; W244-V285 HydrophobicContact CZ3-CB 4.16Å; W244-V285 HydrophobicContact CZ3-CG1 4.04Å; W244-V285 HydrophobicContact CZ3-CG2 4.16Å; W244-C287 PolarHBondContact N-O 2.72Å; W244-L288 HydrophobicContact CE3-CB 4.04Å; W244-L288 HydrophobicContact CE3-CD1 3.92Å; W244-L288 HydrophobicContact CE3-CG 4.11Å; W244-L288 HydrophobicContact CH2-CD1 4.41Å; W244-L288 HydrophobicContact CZ3-CD1 3.71Å; W244-L288 HydrophobicContact CZ3-CG 4.41Å; W244-L288 CarbonylContact O-C 3.55Å; W244-L288 WeakPolarHBondContact O-CA 3.29Å; W244-V289 PolarHBondContact O-N 3.39Å
245	K	98.3	Very high	97.3	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.1	175.9	-77.4	-79.8	175.7	178.8	0	109	K218 I219 N220 S221 F247 V289 E291	K218-K245 VanDerWaalsContact CE-CG 3.45Å; I219-K245 PolarHBondContact O-N 2.72Å; N220-K245 CarbonylContact C-O 3.51Å; N220-K245 WeakPolarHBondContact CA-O 3.46Å; S221-K245 PolarHBondContact N-O 2.99Å; K245-F247 HydrophobicContact CB-CE1 4.06Å; K245-F247 HydrophobicContact CB-CE2 3.79Å; K245-F247 HydrophobicContact CB-CZ 3.53Å; K245-F247 HydrophobicContact CD-CE1 4.29Å; K245-F247 HydrophobicContact CD-CZ 4.34Å; K245-F247 HydrophobicContact CG-CZ 4.12Å; K245-V289 HydrophobicContact CD-CB 3.98Å; K245-V289 HydrophobicContact CD-CG1 4.04Å; K245-E291 HydrophobicContact CD-CG 4.49Å; K245-E291 WeakPolarHBondContact CD-OE1 3.45Å; K245-E291 WeakPolarHBondContact CE-OE1 3.37Å; K245-E291 IonicContact NZ-OE1 3.98Å; K245-E291 PolarHBondContact NZ-OE1 3.47Å
246	V	98.6	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110	-179.2	178.9	0	0	0	0	107.8	I223 W244 F275 F278 L279 L288 V289 E291	I223-V246 HydrophobicContact CD1-CG1 3.95Å; I223-V246 HydrophobicContact CG1-CG1 3.44Å; I223-V246 VanDerWaalsContact CG1-CG1 3.44Å; W244-V246 HydrophobicContact CD2-CG2 3.61Å; W244-V246 VanDerWaalsContact CE2-CG2 3.41Å; W244-V246 HydrophobicContact CE3-CG2 4.08Å; W244-V246 HydrophobicContact CG-CG2 4.03Å; W244-V246 HydrophobicContact CH2-CG2 4.24Å; W244-V246 HydrophobicContact CZ2-CG2 3.75Å; W244-V246 HydrophobicContact CZ3-CG2 4.39Å; V246-F275 HydrophobicContact CG1-CE2 3.86Å; V246-F275 HydrophobicContact CG1-CZ 4.13Å; V246-F278 HydrophobicContact CG1-CD1 3.95Å; V246-F278 HydrophobicContact CG1-CE1 3.7Å; V246-F278 HydrophobicContact CG2-CE1 4.49Å; V246-L279 HydrophobicContact CB-CD2 4.42Å; V246-L279 HydrophobicContact CG1-CD2 3.88Å; V246-L288 HydrophobicContact CG2-CD1 4.05Å; V246-L288 HydrophobicContact CG2-CG 3.88Å; V246-V289 PolarHBondContact N-O 2.56Å; V246-E291 PolarHBondContact O-N 3.33Å
247	F	98.3	Very high	97.2	Very high	25 Å²	25	27.9 Å²	27.9	11%	0.11	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.4	-174.1	-61.4	-59.3	0	0	0	110.2	N220 S221 V222 I223 K245 E291 M296	N220-F247 HydrophobicContact CB-CE2 3.83Å; S221-F247 WeakPolarHBondContact O-CB 3.46Å; S221-F247 WeakPolarHBondContact O-CD2 3.32Å; S221-F247 PolarHBondContact O-N 3.44Å; V222-F247 CarbonylContact C-O 3.53Å; V222-F247 HydrophobicContact CG2-CB 4.37Å; V222-F247 HydrophobicContact CG2-CD2 4.41Å; I223-F247 PolarHBondContact N-O 2.8Å; K245-F247 HydrophobicContact CB-CE1 4.06Å; K245-F247 HydrophobicContact CB-CE2 3.79Å; K245-F247 HydrophobicContact CB-CZ 3.53Å; K245-F247 HydrophobicContact CD-CE1 4.29Å; K245-F247 HydrophobicContact CD-CZ 4.34Å; K245-F247 HydrophobicContact CG-CZ 4.12Å; F247-E291 WeakPolarHBondContact CA-O 3.45Å; F247-E291 HydrophobicContact CD1-CB 3.73Å; F247-E291 HydrophobicContact CD1-CG 4.38Å; F247-E291 HydrophobicContact CE1-CB 4.15Å; F247-E291 HydrophobicContact CE1-CG 4.32Å; F247-E291 WeakPolarHBondContact CE1-OE2 3.18Å; F247-M296 HydrophobicContact CB-CE 3.45Å; F247-M296 VanDerWaalsContact CB-CE 3.45Å; F247-M296 HydrophobicContact CD1-CE 3.24Å; F247-M296 HydrophobicContact CE1-CE 4.17Å; F247-M296 HydrophobicContact CG-CE 3.59Å
248	Q	98.5	Very high	97	Very high	4 Å²	4	26 Å²	26	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.6	162.7	-170.8	-178.8	14.7	0	0	109.2	L250 I270 D272 F275 E291 N293	Q248-L250 PolarHBondContact O-N 2.96Å; Q248-I270 HydrophobicContact CG-CG1 4.21Å; Q248-I270 PolarHBondContact NE2-O 3.37Å; Q248-D272 PolarHBondContact NE2-OD1 2.7Å; Q248-D272 PolarHBondContact OE1-OD1 2.83Å; Q248-F275 HydrophobicContact CB-CD1 4.21Å; Q248-F275 HydrophobicContact CB-CD2 3.91Å; Q248-F275 HydrophobicContact CB-CE1 4.21Å; Q248-F275 HydrophobicContact CB-CE2 3.91Å; Q248-F275 HydrophobicContact CB-CG 4.05Å; Q248-F275 HydrophobicContact CB-CZ 4.07Å; Q248-F275 HydrophobicContact CG-CB 4.34Å; Q248-F275 HydrophobicContact CG-CD2 4.23Å; Q248-F275 HydrophobicContact CG-CG 4.14Å; Q248-E291 PolarHBondContact N-O 3.31Å; Q248-N293 PolarHBondContact O-OD1 2.77Å
249	C	97.9	Very high	96.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.171	C	C	.	.			trans	-60	120.1	176.3	-173.2	0	0	0	0	111	V222 I223 N224 N293	V222-C249 HydrophobicContact CG1-CB 4.06Å; I223-C249 WeakPolarHBondContact O-CB 3.39Å; I223-C249 PolarHBondContact O-N 2.85Å; N224-C249 HydrophobicContact CB-CB 4.17Å; C249-N293 PolarHBondContact O-ND2 2.59Å; C249-N293 VanDerWaalsContact O-ND2 3.13Å; C249-N293 PolarHBondContact O-OD1 2.94Å
250	L	96.3	Very high	96.5	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.099	20%	0.203	C	C	.	.			trans	-106.5	132.3	-175.3	-178.5	65.4	0	0	0	111.4	F90 Q248 I252 N256 N293 M296	F90-L250 HydrophobicContact CD2-CD2 4.42Å; Q248-L250 PolarHBondContact O-N 2.96Å; L250-I252 HydrophobicContact CD2-CD1 3.86Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CD1 4.11Å; L250-I252 HydrophobicContact CG-CG1 4.25Å; L250-N256 PolarHBondContact O-ND2 2.99Å; L250-N293 HydrophobicContact CD1-CB 3.85Å; L250-M296 HydrophobicContact CB-SD 4.22Å; L250-M296 HydrophobicContact CD2-CG 4.32Å; L250-M296 HydrophobicContact CD2-SD 3.68Å
251	L	96.6	Very high	96.5	Very high	63 Å²	63	35 Å²	35	33%	0.33	19%	0.194	S	C	.	.			trans	-86.1	133.2	169.3	-63.5	-175.9	0	0	0	110.4	N256 C257 A265 E266 V269	L251-N256 WeakPolarHBondContact CA-OD1 3.49Å; L251-C257 HydrophobicContact CD2-CB 4.3Å; L251-A265 HydrophobicContact CD2-CB 3.49Å; L251-A265 VanDerWaalsContact CD2-CB 3.49Å; L251-E266 HydrophobicContact CD1-CG 4.49Å; L251-V269 HydrophobicContact CD1-CG2 4.03Å; L251-V269 HydrophobicContact CD2-CG2 3.62Å; L251-V269 HydrophobicContact CG-CG2 3.74Å
252	I	96.3	Very high	96.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.215	C	C	.	.			trans	-133.2	114.7	173.7	-61.6	-66.9	0	0	0	108	F90 L250 E255 N256 C257 G315 K317	F90-I252 HydrophobicContact CB-CB 4.42Å; F90-I252 HydrophobicContact CB-CG1 4.07Å; F90-I252 HydrophobicContact CD2-CG1 4.46Å; L250-I252 HydrophobicContact CD2-CD1 3.86Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CD1 4.11Å; L250-I252 HydrophobicContact CG-CG1 4.25Å; I252-E255 HydrophobicContact CB-CB 4.19Å; I252-E255 HydrophobicContact CB-CG 4.43Å; I252-E255 HydrophobicContact CG2-CB 3.98Å; I252-E255 HydrophobicContact CG2-CG 3.71Å; I252-E255 PolarHBondContact O-N 3.05Å; I252-E255 VanDerWaalsContact O-N 3.13Å; I252-N256 PolarHBondContact N-OD1 2.88Å; I252-N256 PolarHBondContact O-N 3.42Å; I252-N256 PolarHBondContact O-OD1 2.79Å; I252-C257 PolarHBondContact O-N 2.92Å; I252-G315 CarbonylContact C-O 3.52Å; I252-G315 WeakPolarHBondContact CA-O 3.49Å; I252-K317 HydrophobicContact CG2-CD 4.28Å; I252-K317 HydrophobicContact CG2-CG 4.02Å
253	E	96.5	Very high	96.3	Very high	86 Å²	86	40.4 Å²	40.4	40%	0.402	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-63.4	137.1	-179.3	174.8	-166.2	161.9	0	0	110.4	E255 C257 G315 R316	E253-E255 PolarHBondContact O-N 2.8Å; E253-C257 WeakPolarHBondContact CA-O 3.37Å; E253-C257 WeakPolarHBondContact CA-SG 3.37Å; E253-C257 PolarHBondContact N-SG 3.36Å; E253-C257 VanDerWaalsContact N-SG 3.37Å; E253-G315 PolarHBondContact N-O 3.15Å; E253-R316 HydrophobicContact CB-CG 3.53Å; E253-R316 VanDerWaalsContact CD-CD 3.5Å; E253-R316 HydrophobicContact CG-CG 3.75Å; E253-R316 IonicContact OE1-CZ 3.05Å; E253-R316 IonicContact OE1-NE 3.93Å; E253-R316 IonicContact OE1-NH1 2.97Å; E253-R316 PolarHBondContact OE1-NH1 3.19Å; E253-R316 IonicContact OE2-CZ 3.99Å; E253-R316 IonicContact OE2-NE 3.4Å; E253-R316 IonicContact OE2-NH1 3.23Å
254	G	95.6	Very high	96.2	Very high	13 Å²	13	46 Å²	46	13%	0.134	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.2	-176.1	0	0	0	0	0	114.5	K94 C257	K94-G254 PolarHBondContact NZ-O 2.95Å; G254-C257 PolarHBondContact N-O 3.35Å
255	E	96.8	Very high	96.1	Very high	4 Å²	4	46 Å²	46	2%	0.019	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-59.2	169.3	-65.4	-79.1	-168.6	0	0	110.1	R80 F90 T92 I252 E253 L262 K317	R80-E255 IonicContact CZ-OE1 3.99Å; R80-E255 IonicContact NH1-OE1 3.7Å; R80-E255 PolarHBondContact NH1-OE1 2.85Å; R80-E255 IonicContact NH1-OE2 2.63Å; R80-E255 PolarHBondContact NH1-OE2 2.9Å; R80-E255 IonicContact NH2-OE1 3.98Å; R80-E255 PolarHBondContact NH2-OE1 3.02Å; R80-E255 VanDerWaalsContact NH2-OE1 3.08Å; F90-E255 WeakPolarHBondContact O-CB 3.42Å; F90-E255 WeakPolarHBondContact O-CG 3.37Å; T92-E255 WeakPolarHBondContact CG2-O 3.38Å; T92-E255 PolarHBondContact N-OE2 2.63Å; T92-E255 PolarHBondContact OG1-OE2 3.41Å; I252-E255 HydrophobicContact CB-CB 4.19Å; I252-E255 HydrophobicContact CB-CG 4.43Å; I252-E255 HydrophobicContact CG2-CB 3.98Å; I252-E255 HydrophobicContact CG2-CG 3.71Å; I252-E255 PolarHBondContact O-N 3.05Å; I252-E255 VanDerWaalsContact O-N 3.13Å; E253-E255 PolarHBondContact O-N 2.8Å; E255-L262 PolarHBondContact O-N 2.77Å; E255-K317 HydrophobicContact CG-CD 4.1Å
256	N	97.3	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	7.9	-174	73.9	0.7	0	0	0	115.4	F88 C89 L250 L251 I252 R263 A265	F88-N256 PolarHBondContact O-ND2 3.22Å; C89-N256 WeakPolarHBondContact O-CB 3.48Å; L250-N256 PolarHBondContact O-ND2 2.99Å; L251-N256 WeakPolarHBondContact CA-OD1 3.49Å; I252-N256 PolarHBondContact N-OD1 2.88Å; I252-N256 PolarHBondContact O-N 3.42Å; I252-N256 PolarHBondContact O-OD1 2.79Å; N256-R263 CarbonylContact C-O 3.59Å; N256-R263 VanDerWaalsContact CA-O 3.32Å; N256-R263 WeakPolarHBondContact CA-O 3.41Å; N256-R263 HydrophobicContact CB-CB 3.82Å; N256-R263 CarbonylContact O-C 3.54Å; N256-A265 HydrophobicContact CB-CB 3.72Å; N256-A265 VanDerWaalsContact CG-CB 3.44Å; N256-A265 WeakPolarHBondContact ND2-CB 3.35Å; N256-A265 VanDerWaalsContact O-CB 3.31Å; N256-A265 WeakPolarHBondContact O-CB 3.18Å; N256-A265 PolarHBondContact O-N 3.46Å
257	C	96.3	Very high	96	Very high	17 Å²	17	58 Å²	58	12%	0.115	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-149.5	159.2	166.9	60.9	0	0	0	0	110.4	L251 I252 E253 G254 A261 E266	L251-C257 HydrophobicContact CD2-CB 4.3Å; I252-C257 PolarHBondContact O-N 2.92Å; E253-C257 WeakPolarHBondContact CA-O 3.37Å; E253-C257 WeakPolarHBondContact CA-SG 3.37Å; E253-C257 PolarHBondContact N-SG 3.36Å; E253-C257 VanDerWaalsContact N-SG 3.37Å; G254-C257 PolarHBondContact N-O 3.35Å; C257-A261 WeakPolarHBondContact O-CB 3.45Å; C257-E266 WeakPolarHBondContact CA-OE1 3.24Å; C257-E266 WeakPolarHBondContact CB-OE1 3.4Å
258	G	94.5	Very high	96	Very high	47 Å²	47	56.9 Å²	56.9	49%	0.485	29%	0.287	S	S	.	.	S	Bend	trans	85.8	170.1	-177	0	0	0	0	0	114.1	D260 A261	G258-D260 VanDerWaalsContact C-N 3.32Å; G258-D260 PolarHBondContact O-N 3.4Å; G258-A261 WeakPolarHBondContact O-CB 3.45Å; G258-A261 PolarHBondContact O-N 3.03Å
259	E	90.7	Very high	96	Very high	202 Å²	202	58.7 Å²	58.7	94%	0.944	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.1	-168.5	-63.5	-176.6	171.1	0	0	113.9
260	D	91.3	Very high	96	Very high	139 Å²	139	58.9 Å²	58.9	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	9.6	-177.2	-64.5	-41.5	0	0	0	114	G258	G258-D260 VanDerWaalsContact C-N 3.32Å; G258-D260 PolarHBondContact O-N 3.4Å
261	A	95.1	Very high	96	Very high	24 Å²	24	59.7 Å²	59.7	20%	0.198	31%	0.312	C	S	.	.			trans	-85	147.7	-177.6	0	0	0	0	0	113	C257 G258 R263	C257-A261 WeakPolarHBondContact O-CB 3.45Å; G258-A261 WeakPolarHBondContact O-CB 3.45Å; G258-A261 PolarHBondContact O-N 3.03Å; A261-R263 VanDerWaalsContact C-N 3.32Å; A261-R263 WeakPolarHBondContact CB-O 3.32Å
262	L	95.4	Very high	96.1	Very high	88 Å²	88	61.9 Å²	61.9	46%	0.461	32%	0.324	S	S	.	.	S	Bend	trans	-89.4	-2.5	175.1	-64.9	178.6	0	0	0	112.7	T92 K94 E255	T92-L262 HydrophobicContact CG2-CB 4.3Å; K94-L262 HydrophobicContact CG-CD1 4.25Å; E255-L262 PolarHBondContact O-N 2.77Å
263	R	96.6	Very high	96.1	Very high	72 Å²	72	69.3 Å²	69.3	27%	0.272	36%	0.359	S	S	.	.			trans	-142	156.7	-174.9	-68.2	-62.3	-178.4	-84.4	-4	109.3	C86 G87 C89 T92 N256 A261	C86-R263 WeakPolarHBondContact O-CD 3.45Å; C86-R263 PolarHBondContact O-NE 2.86Å; G87-R263 WeakPolarHBondContact O-CB 3.47Å; C89-R263 HydrophobicContact CB-CG 4.32Å; T92-R263 HydrophobicContact CG2-CB 4.41Å; T92-R263 HydrophobicContact CG2-CG 3.76Å; N256-R263 CarbonylContact C-O 3.59Å; N256-R263 VanDerWaalsContact CA-O 3.32Å; N256-R263 WeakPolarHBondContact CA-O 3.41Å; N256-R263 HydrophobicContact CB-CB 3.82Å; N256-R263 CarbonylContact O-C 3.54Å; A261-R263 VanDerWaalsContact C-N 3.32Å; A261-R263 WeakPolarHBondContact CB-O 3.32Å
264	E	95.2	Very high	96.2	Very high	153 Å²	153	67 Å²	67	72%	0.715	35%	0.348	S	S	*	.			trans	-125.1	87.3	179.9	-66.2	171.2	-108.3	0	0	107.6	E266	E264-E266 VanDerWaalsContact C-N 3.34Å; E264-E266 VanDerWaalsContact C-OE2 3.3Å; E264-E266 WeakPolarHBondContact CA-OE2 3.34Å
265	A	97	Very high	96.4	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.342	C	S	.	.			trans	-82.3	-11.6	-174.3	0	0	0	0	0	113.1	F88 L251 N256 R267 F268 V269	F88-A265 HydrophobicContact CB-CB 4.18Å; L251-A265 HydrophobicContact CD2-CB 3.49Å; L251-A265 VanDerWaalsContact CD2-CB 3.49Å; N256-A265 HydrophobicContact CB-CB 3.72Å; N256-A265 VanDerWaalsContact CG-CB 3.44Å; N256-A265 WeakPolarHBondContact ND2-CB 3.35Å; N256-A265 VanDerWaalsContact O-CB 3.31Å; N256-A265 WeakPolarHBondContact O-CB 3.18Å; N256-A265 PolarHBondContact O-N 3.46Å; A265-R267 PolarHBondContact O-N 3.13Å; A265-F268 WeakPolarHBondContact O-CA 3.44Å; A265-F268 VanDerWaalsContact O-CB 3.3Å; A265-F268 WeakPolarHBondContact O-CB 3.28Å; A265-F268 PolarHBondContact O-N 3.14Å; A265-V269 PolarHBondContact O-N 2.93Å
266	E	97.1	Very high	96.5	Very high	94 Å²	94	71.3 Å²	71.3	44%	0.439	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-55.5	-40.3	-175.2	-66.8	84.6	169.1	0	0	111.7	L251 C257 E264 F268 V269	L251-E266 HydrophobicContact CD1-CG 4.49Å; C257-E266 WeakPolarHBondContact CA-OE1 3.24Å; C257-E266 WeakPolarHBondContact CB-OE1 3.4Å; E264-E266 VanDerWaalsContact C-N 3.34Å; E264-E266 VanDerWaalsContact C-OE2 3.3Å; E264-E266 WeakPolarHBondContact CA-OE2 3.34Å; E266-F268 PolarHBondContact O-N 3.28Å; E266-V269 PolarHBondContact O-N 2.76Å
267	R	96.8	Very high	96.5	Very high	166 Å²	166	77.5 Å²	77.5	63%	0.626	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-68	-14.1	176.9	70.2	-178.2	-176.3	177.2	0.5	114.6	R225 A265	R225-R267 WeakPolarHBondContact CB-O 3.33Å; A265-R267 PolarHBondContact O-N 3.13Å
268	F	98.3	Very high	96.6	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-95.6	-14	179.3	-65.8	-91.4	0	0	0	112.6	G87 F88 I190 N224 R225 F226 A265 E266	G87-F268 VanDerWaalsContact C-CE2 3.46Å; G87-F268 VanDerWaalsContact CA-CE2 3.48Å; F88-F268 HydrophobicContact CB-CB 4.09Å; F88-F268 HydrophobicContact CB-CD2 4.3Å; F88-F268 HydrophobicContact CB-CG 4.07Å; F88-F268 HydrophobicContact CD1-CB 4.25Å; F88-F268 AromaticContact CD1-CD1 3.56Å; F88-F268 HydrophobicContact CD1-CD1 3.56Å; F88-F268 HydrophobicContact CD1-CE1 4.05Å; F88-F268 AromaticContact CD1-CG 3.95Å; F88-F268 HydrophobicContact CD1-CG 3.95Å; F88-F268 HydrophobicContact CE1-CD1 4.27Å; I190-F268 HydrophobicContact CG1-CE1 4.37Å; N224-F268 CarbonylContact C-O 3.59Å; N224-F268 VanDerWaalsContact CA-O 3.22Å; N224-F268 WeakPolarHBondContact CA-O 3.45Å; N224-F268 HydrophobicContact CB-CB 4.09Å; N224-F268 HydrophobicContact CB-CD1 4.41Å; N224-F268 VanDerWaalsContact CB-O 3.26Å; N224-F268 WeakPolarHBondContact CB-O 3.34Å; R225-F268 PolarHBondContact N-O 2.94Å; F226-F268 AromaticContact CD2-CD1 3.57Å; F226-F268 HydrophobicContact CD2-CD1 3.57Å; F226-F268 AromaticContact CD2-CE1 3.58Å; F226-F268 HydrophobicContact CD2-CE1 3.58Å; F226-F268 AromaticContact CE2-CD1 3.45Å; F226-F268 HydrophobicContact CE2-CD1 3.45Å; F226-F268 VanDerWaalsContact CE2-CD1 3.45Å; F226-F268 AromaticContact CE2-CE1 3.31Å; F226-F268 HydrophobicContact CE2-CE1 3.31Å; F226-F268 HydrophobicContact CE2-CG 4.23Å; F226-F268 HydrophobicContact CE2-CZ 4Å; A265-F268 WeakPolarHBondContact O-CA 3.44Å; A265-F268 VanDerWaalsContact O-CB 3.3Å; A265-F268 WeakPolarHBondContact O-CB 3.28Å; A265-F268 PolarHBondContact O-N 3.14Å; E266-F268 PolarHBondContact O-N 3.28Å
269	V	97.8	Very high	96.8	Very high	43 Å²	43	75.3 Å²	75.3	26%	0.261	36%	0.364	S	S	.	.			trans	-67.6	143.5	-173.8	178.2	0	0	0	0	111.7	R225 L251 A265 E266	R225-V269 PolarHBondContact NH2-O 2.79Å; R225-V269 VanDerWaalsContact NH2-O 3.12Å; L251-V269 HydrophobicContact CD1-CG2 4.03Å; L251-V269 HydrophobicContact CD2-CG2 3.62Å; L251-V269 HydrophobicContact CG-CG2 3.74Å; A265-V269 PolarHBondContact O-N 2.93Å; E266-V269 PolarHBondContact O-N 2.76Å
270	I	98.3	Very high	97.2	Very high	4 Å²	4	71 Å²	71	2%	0.021	34%	0.344	C	S	.	.			trans	-125.6	150.6	173.8	59.5	170.5	0	0	0	109.9	I223 N224 V228 Q248 E274 F275	I223-I270 HydrophobicContact CB-CD1 4.11Å; I223-I270 HydrophobicContact CG2-CD1 3.67Å; N224-I270 VanDerWaalsContact C-CG2 3.47Å; V228-I270 HydrophobicContact CB-CD1 4.34Å; V228-I270 HydrophobicContact CB-CG2 4.18Å; V228-I270 HydrophobicContact CG1-CG2 4.32Å; V228-I270 HydrophobicContact CG2-CD1 3.78Å; V228-I270 HydrophobicContact CG2-CG2 4.32Å; Q248-I270 HydrophobicContact CG-CG1 4.21Å; Q248-I270 PolarHBondContact NE2-O 3.37Å; I270-E274 WeakPolarHBondContact CA-OE2 3.4Å; I270-E274 HydrophobicContact CB-CB 4.23Å; I270-F275 HydrophobicContact CD1-CB 4.01Å; I270-F275 HydrophobicContact CD1-CD2 4.13Å
271	G	97.5	Very high	97.5	Very high	36 Å²	36	67.7 Å²	67.7	37%	0.371	32%	0.321	S	S	.	.			trans	-72.7	163.3	174.5	0	0	0	0	0	112.7	E273 E274 F275	G271-E273 VanDerWaalsContact C-N 3.3Å; G271-E273 PolarHBondContact O-N 3.18Å; G271-E274 PolarHBondContact N-OE2 3Å; G271-E274 PolarHBondContact O-N 2.83Å; G271-F275 PolarHBondContact O-N 2.86Å; G271-F275 VanDerWaalsContact O-N 3.09Å
272	D	97.1	Very high	97.7	Very high	109 Å²	109	66.6 Å²	66.6	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-61.1	-38.9	178.9	-68.1	-10.1	0	0	0	111.7	Q248 E274 F275 E276	Q248-D272 PolarHBondContact NE2-OD1 2.7Å; Q248-D272 PolarHBondContact OE1-OD1 2.83Å; D272-E274 PolarHBondContact O-N 3.49Å; D272-F275 PolarHBondContact O-N 3.4Å; D272-E276 WeakPolarHBondContact O-CG 3.42Å; D272-E276 PolarHBondContact O-N 3.44Å
273	E	97.9	Very high	97.8	Very high	159 Å²	159	69 Å²	69	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-41.5	176.2	-64.9	-177.9	179.7	0	0	112.4	G271 F275 E276 R277	G271-E273 VanDerWaalsContact C-N 3.3Å; G271-E273 PolarHBondContact O-N 3.18Å; E273-F275 VanDerWaalsContact C-N 3.32Å; E273-E276 PolarHBondContact O-N 2.98Å; E273-R277 WeakPolarHBondContact O-CG 3.39Å; E273-R277 PolarHBondContact O-N 2.95Å
274	E	98.5	Very high	97.8	Very high	38 Å²	38	72.1 Å²	72.1	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-39.6	178	-55.6	-178.2	103.5	0	0	110.7	R225 V228 I270 G271 D272 R277 F278	R225-E274 IonicContact CZ-OE1 3.58Å; R225-E274 IonicContact CZ-OE2 2.91Å; R225-E274 IonicContact NH1-OE1 3.22Å; R225-E274 PolarHBondContact NH1-OE1 3.44Å; R225-E274 IonicContact NH1-OE2 3.55Å; R225-E274 IonicContact NH2-OE1 2.7Å; R225-E274 IonicContact NH2-OE2 3.54Å; R225-E274 PolarHBondContact NH2-OE2 2.79Å; V228-E274 HydrophobicContact CG2-CB 3.85Å; V228-E274 WeakPolarHBondContact CG2-O 3.45Å; I270-E274 WeakPolarHBondContact CA-OE2 3.4Å; I270-E274 HydrophobicContact CB-CB 4.23Å; G271-E274 PolarHBondContact N-OE2 3Å; G271-E274 PolarHBondContact O-N 2.83Å; D272-E274 PolarHBondContact O-N 3.49Å; E274-R277 PolarHBondContact O-N 3.21Å; E274-F278 PolarHBondContact O-N 2.86Å; E274-F278 VanDerWaalsContact O-N 3.15Å
275	F	98.6	Very high	98	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-46.4	175.5	-174.2	-115.8	0	0	0	111.8	I223 V246 Q248 I270 G271 D272 E273 R277 F278 L279	I223-F275 HydrophobicContact CB-CD2 4.03Å; I223-F275 HydrophobicContact CB-CE2 4.06Å; I223-F275 HydrophobicContact CG1-CD2 4.31Å; I223-F275 HydrophobicContact CG1-CE2 3.92Å; I223-F275 HydrophobicContact CG2-CD2 4.37Å; V246-F275 HydrophobicContact CG1-CE2 3.86Å; V246-F275 HydrophobicContact CG1-CZ 4.13Å; Q248-F275 HydrophobicContact CB-CD1 4.21Å; Q248-F275 HydrophobicContact CB-CD2 3.91Å; Q248-F275 HydrophobicContact CB-CE1 4.21Å; Q248-F275 HydrophobicContact CB-CE2 3.91Å; Q248-F275 HydrophobicContact CB-CG 4.05Å; Q248-F275 HydrophobicContact CB-CZ 4.07Å; Q248-F275 HydrophobicContact CG-CB 4.34Å; Q248-F275 HydrophobicContact CG-CD2 4.23Å; Q248-F275 HydrophobicContact CG-CG 4.14Å; I270-F275 HydrophobicContact CD1-CB 4.01Å; I270-F275 HydrophobicContact CD1-CD2 4.13Å; G271-F275 PolarHBondContact O-N 2.86Å; G271-F275 VanDerWaalsContact O-N 3.09Å; D272-F275 PolarHBondContact O-N 3.4Å; E273-F275 VanDerWaalsContact C-N 3.32Å; F275-R277 VanDerWaalsContact C-N 3.31Å; F275-R277 PolarHBondContact O-N 3.09Å; F275-F278 WeakPolarHBondContact O-CA 2.98Å; F275-F278 WeakPolarHBondContact O-CB 3.44Å; F275-F278 PolarHBondContact O-N 3.28Å; F275-F278 VanDerWaalsContact O-N 3.08Å; F275-L279 HydrophobicContact CD1-CD1 4.13Å; F275-L279 HydrophobicContact CD1-CG 4.44Å; F275-L279 HydrophobicContact CE1-CD1 3.82Å; F275-L279 HydrophobicContact CE1-CD2 4.35Å; F275-L279 HydrophobicContact CE1-CG 4.24Å; F275-L279 HydrophobicContact CE2-CD2 4.43Å; F275-L279 HydrophobicContact CZ-CD1 4.38Å; F275-L279 HydrophobicContact CZ-CD2 4.09Å; F275-L279 HydrophobicContact CZ-CG 4.44Å; F275-L279 WeakPolarHBondContact O-CG 3.22Å; F275-L279 PolarHBondContact O-N 2.93Å
276	E	98.4	Very high	97.9	Very high	104 Å²	104	71.1 Å²	71.1	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-36	177.2	-69.6	-60.5	149	0	0	112.1	D272 E273 F278 L279 E280	D272-E276 WeakPolarHBondContact O-CG 3.42Å; D272-E276 PolarHBondContact O-N 3.44Å; E273-E276 PolarHBondContact O-N 2.98Å; E276-F278 VanDerWaalsContact C-N 3.34Å; E276-F278 PolarHBondContact O-N 2.97Å; E276-L279 PolarHBondContact O-N 3.04Å; E276-L279 VanDerWaalsContact O-N 3.17Å; E276-E280 PolarHBondContact O-N 2.96Å
277	R	98.6	Very high	97.9	Very high	130 Å²	130	67.8 Å²	67.8	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-40.7	171.4	-70.9	-167.1	-49.7	-137.2	8.3	112.4	E229 E273 E274 F275 L279 E280 R281	E229-R277 IonicContact OE1-NH2 2.68Å; E229-R277 PolarHBondContact OE1-NH2 3.34Å; E273-R277 WeakPolarHBondContact O-CG 3.39Å; E273-R277 PolarHBondContact O-N 2.95Å; E274-R277 PolarHBondContact O-N 3.21Å; F275-R277 VanDerWaalsContact C-N 3.31Å; F275-R277 PolarHBondContact O-N 3.09Å; R277-L279 VanDerWaalsContact C-N 3.32Å; R277-E280 PolarHBondContact O-N 2.97Å; R277-R281 WeakPolarHBondContact O-CB 3.33Å; R277-R281 PolarHBondContact O-N 3.49Å
278	F	98.8	Very high	97.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-42.5	173.3	-178.7	-81.4	0	0	0	110.8	I223 M232 W244 V246 E274 F275 E276 R281 H282	I223-F278 HydrophobicContact CD1-CD1 4.05Å; I223-F278 HydrophobicContact CD1-CD2 4.26Å; I223-F278 HydrophobicContact CD1-CE1 3.51Å; I223-F278 HydrophobicContact CD1-CE2 3.74Å; I223-F278 HydrophobicContact CD1-CG 4.42Å; I223-F278 HydrophobicContact CD1-CZ 3.34Å; I223-F278 HydrophobicContact CG1-CD1 3.89Å; I223-F278 HydrophobicContact CG1-CD2 4.49Å; I223-F278 HydrophobicContact CG1-CE1 3.84Å; I223-F278 HydrophobicContact CG1-CE2 4.43Å; I223-F278 HydrophobicContact CG1-CG 4.26Å; I223-F278 HydrophobicContact CG1-CZ 4.13Å; I223-F278 HydrophobicContact CG2-CB 4.22Å; I223-F278 HydrophobicContact CG2-CD1 4.36Å; I223-F278 HydrophobicContact CG2-CD2 3.84Å; I223-F278 HydrophobicContact CG2-CE2 4.33Å; I223-F278 HydrophobicContact CG2-CG 3.87Å; M232-F278 HydrophobicContact CE-CE2 3.98Å; M232-F278 HydrophobicContact CE-CZ 4.07Å; M232-F278 HydrophobicContact CG-CZ 4.49Å; M232-F278 HydrophobicContact SD-CE2 4.42Å; M232-F278 HydrophobicContact SD-CZ 3.98Å; W244-F278 HydrophobicContact CH2-CE1 4.03Å; W244-F278 HydrophobicContact CH2-CZ 4.03Å; W244-F278 HydrophobicContact CZ2-CE1 4.15Å; W244-F278 HydrophobicContact CZ2-CZ 4.04Å; V246-F278 HydrophobicContact CG1-CD1 3.95Å; V246-F278 HydrophobicContact CG1-CE1 3.7Å; V246-F278 HydrophobicContact CG2-CE1 4.49Å; E274-F278 PolarHBondContact O-N 2.86Å; E274-F278 VanDerWaalsContact O-N 3.15Å; F275-F278 WeakPolarHBondContact O-CA 2.98Å; F275-F278 WeakPolarHBondContact O-CB 3.44Å; F275-F278 PolarHBondContact O-N 3.28Å; F275-F278 VanDerWaalsContact O-N 3.08Å; E276-F278 VanDerWaalsContact C-N 3.34Å; E276-F278 PolarHBondContact O-N 2.97Å; F278-R281 PolarHBondContact O-N 3.28Å; F278-H282 AromaticContact CD1-ND1 3.72Å; F278-H282 AromaticContact CD2-CE1 3.77Å; F278-H282 AromaticContact CE1-CE1 3.72Å; F278-H282 AromaticContact CE1-ND1 3.5Å; F278-H282 AromaticContact CE2-CE1 3.34Å; F278-H282 WeakPolarHBondContact CE2-CE1 3.29Å; F278-H282 AromaticContact CE2-ND1 3.92Å; F278-H282 AromaticContact CG-ND1 3.99Å; F278-H282 AromaticContact CZ-CE1 3.3Å; F278-H282 WeakPolarHBondContact CZ-CE1 3.1Å; F278-H282 AromaticContact CZ-ND1 3.6Å; F278-H282 AromaticContact CZ-NE2 3.98Å; F278-H282 PolarHBondContact O-N 3.2Å; F278-H282 PolarHBondContact O-ND1 3.19Å
279	L	98.6	Very high	97.9	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-45.1	178.1	-60.8	-175.2	0	0	0	112.3	V246 F275 E276 R277 R281 H282 K283 L288 P290	V246-L279 HydrophobicContact CB-CD2 4.42Å; V246-L279 HydrophobicContact CG1-CD2 3.88Å; F275-L279 HydrophobicContact CD1-CD1 4.13Å; F275-L279 HydrophobicContact CD1-CG 4.44Å; F275-L279 HydrophobicContact CE1-CD1 3.82Å; F275-L279 HydrophobicContact CE1-CD2 4.35Å; F275-L279 HydrophobicContact CE1-CG 4.24Å; F275-L279 HydrophobicContact CE2-CD2 4.43Å; F275-L279 HydrophobicContact CZ-CD1 4.38Å; F275-L279 HydrophobicContact CZ-CD2 4.09Å; F275-L279 HydrophobicContact CZ-CG 4.44Å; F275-L279 WeakPolarHBondContact O-CG 3.22Å; F275-L279 PolarHBondContact O-N 2.93Å; E276-L279 PolarHBondContact O-N 3.04Å; E276-L279 VanDerWaalsContact O-N 3.17Å; R277-L279 VanDerWaalsContact C-N 3.32Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.13Å; L279-H282 CarbonylContact O-C 3.44Å; L279-H282 PolarHBondContact O-N 3.28Å; L279-H282 VanDerWaalsContact O-N 3.09Å; L279-K283 PolarHBondContact O-N 3.14Å; L279-K283 VanDerWaalsContact O-N 3.09Å; L279-L288 HydrophobicContact CD2-CD1 4.47Å; L279-L288 HydrophobicContact CD2-CD2 4.12Å; L279-P290 HydrophobicContact CD1-CB 3.52Å; L279-P290 HydrophobicContact CD1-CG 4.28Å; L279-P290 HydrophobicContact CD2-CB 3.73Å; L279-P290 HydrophobicContact CG-CB 4.29Å
280	E	98.6	Very high	97.8	Very high	111 Å²	111	62.1 Å²	62.1	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-39.5	178.8	-179.5	58.7	-158.3	0	0	111.8	E276 R277 H282 K283	E276-E280 PolarHBondContact O-N 2.96Å; R277-E280 PolarHBondContact O-N 2.97Å; E280-H282 PolarHBondContact O-N 3.13Å; E280-K283 WeakPolarHBondContact O-CG 3.24Å; E280-K283 PolarHBondContact O-N 2.76Å; E280-K283 VanDerWaalsContact OE1-CD 3.32Å; E280-K283 WeakPolarHBondContact OE1-CD 3.47Å; E280-K283 WeakPolarHBondContact OE1-CE 3.45Å; E280-K283 IonicContact OE1-NZ 2.68Å; E280-K283 PolarHBondContact OE1-NZ 2.79Å
281	R	98.6	Very high	97.6	Very high	70 Å²	70	61.9 Å²	61.9	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-56.8	-35.3	174.3	-168.7	-174.1	-55.6	120.2	5.3	112.1	V228 E229 E230 R277 F278 L279	V228-R281 PolarHBondContact O-NH1 3Å; V228-R281 PolarHBondContact O-NH2 3.13Å; V228-R281 VanDerWaalsContact O-NH2 3.16Å; E229-R281 IonicContact OE2-NH2 2.87Å; E229-R281 PolarHBondContact OE2-NH2 3.01Å; E230-R281 PolarHBondContact O-NH1 2.96Å; R277-R281 WeakPolarHBondContact O-CB 3.33Å; R277-R281 PolarHBondContact O-N 3.49Å; F278-R281 PolarHBondContact O-N 3.28Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.13Å
282	H	98.7	Very high	97.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	16.3	-174.9	-59.5	93.2	0	0	0	114.1	E230 D231 M232 T233 W244 F278 L279 E280 E284 V285 L288	E230-H282 PolarHBondContact O-CE1 2.85Å; E230-H282 VanDerWaalsContact O-CE1 3.27Å; D231-H282 IonicContact OD1-CD2 3.63Å; D231-H282 IonicContact OD1-NE2 3.08Å; M232-H282 PolarHBondContact N-NE2 3.19Å; T233-H282 PolarHBondContact OG1-CD2 2.89Å; T233-H282 VanDerWaalsContact OG1-CD2 3.28Å; W244-H282 HydrophobicContact CH2-CB 4.22Å; W244-H282 AromaticContact CH2-CD2 3.69Å; W244-H282 AromaticContact CH2-CG 3.86Å; W244-H282 HydrophobicContact CZ3-CB 3.97Å; F278-H282 AromaticContact CD1-ND1 3.72Å; F278-H282 AromaticContact CD2-CE1 3.77Å; F278-H282 AromaticContact CE1-CE1 3.72Å; F278-H282 AromaticContact CE1-ND1 3.5Å; F278-H282 AromaticContact CE2-CE1 3.34Å; F278-H282 WeakPolarHBondContact CE2-CE1 3.29Å; F278-H282 AromaticContact CE2-ND1 3.92Å; F278-H282 AromaticContact CG-ND1 3.99Å; F278-H282 AromaticContact CZ-CE1 3.3Å; F278-H282 WeakPolarHBondContact CZ-CE1 3.1Å; F278-H282 AromaticContact CZ-ND1 3.6Å; F278-H282 AromaticContact CZ-NE2 3.98Å; F278-H282 PolarHBondContact O-N 3.2Å; F278-H282 PolarHBondContact O-ND1 3.19Å; L279-H282 CarbonylContact O-C 3.44Å; L279-H282 PolarHBondContact O-N 3.28Å; L279-H282 VanDerWaalsContact O-N 3.09Å; E280-H282 PolarHBondContact O-N 3.13Å; H282-E284 PolarHBondContact O-N 3.29Å; H282-V285 HydrophobicContact CB-CG2 4.38Å; H282-V285 WeakPolarHBondContact O-CB 3.35Å; H282-V285 PolarHBondContact O-N 3.15Å; H282-L288 HydrophobicContact CB-CD1 3.7Å
283	K	97.4	Very high	97.1	Very high	139 Å²	139	57.8 Å²	57.8	60%	0.604	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23	-175.2	69.8	-177	172.2	-170.8	0	114.8	L279 E280 V285	L279-K283 PolarHBondContact O-N 3.14Å; L279-K283 VanDerWaalsContact O-N 3.09Å; E280-K283 WeakPolarHBondContact O-CG 3.24Å; E280-K283 PolarHBondContact O-N 2.76Å; E280-K283 VanDerWaalsContact OE1-CD 3.32Å; E280-K283 WeakPolarHBondContact OE1-CD 3.47Å; E280-K283 WeakPolarHBondContact OE1-CE 3.45Å; E280-K283 IonicContact OE1-NZ 2.68Å; E280-K283 PolarHBondContact OE1-NZ 2.79Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 2.98Å
284	E	96.9	Very high	96.5	Very high	138 Å²	138	57 Å²	57	65%	0.645	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-14.2	177.3	-61.7	-169	167.3	0	0	113.4	K237 H282 S286	K237-E284 IonicContact NZ-OE2 2.76Å; K237-E284 PolarHBondContact NZ-OE2 2.96Å; H282-E284 PolarHBondContact O-N 3.29Å; E284-S286 PolarHBondContact O-N 2.93Å; E284-S286 VanDerWaalsContact O-N 3.14Å
285	V	97.9	Very high	95.7	Very high	8 Å²	8	58 Å²	58	5%	0.048	29%	0.286	C	S	.	.			trans	-81.1	96.2	179.9	-176.1	0	0	0	0	109.3	T233 I236 W244 H282 K283 C287 L288	T233-V285 HydrophobicContact CG2-CG2 4.02Å; I236-V285 HydrophobicContact CB-CG1 4.49Å; I236-V285 HydrophobicContact CG2-CG1 3.62Å; W244-V285 HydrophobicContact CE3-CB 4.24Å; W244-V285 HydrophobicContact CE3-CG1 3.68Å; W244-V285 HydrophobicContact CZ3-CB 4.16Å; W244-V285 HydrophobicContact CZ3-CG1 4.04Å; W244-V285 HydrophobicContact CZ3-CG2 4.16Å; H282-V285 HydrophobicContact CB-CG2 4.38Å; H282-V285 WeakPolarHBondContact O-CB 3.35Å; H282-V285 PolarHBondContact O-N 3.15Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 2.98Å; V285-C287 PolarHBondContact O-N 3.03Å; V285-C287 VanDerWaalsContact O-N 3.13Å; V285-L288 HydrophobicContact CB-CB 4.35Å; V285-L288 HydrophobicContact CG1-CB 4.42Å; V285-L288 WeakPolarHBondContact O-CB 3.38Å; V285-L288 PolarHBondContact O-N 2.75Å
286	S	95.7	Very high	94.9	Very high	124 Å²	124	58.6 Å²	58.6	87%	0.867	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.5	-173.4	61.1	0	0	0	0	115	E284 L288	E284-S286 PolarHBondContact O-N 2.93Å; E284-S286 VanDerWaalsContact O-N 3.14Å; S286-L288 VanDerWaalsContact C-N 3.32Å
287	C	96.3	Very high	94.1	Very high	23 Å²	23	56.8 Å²	56.8	16%	0.155	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.8	-180	66.6	0	0	0	0	113.6	P241 W244 V285	P241-C287 WeakPolarHBondContact O-CB 3.33Å; P241-C287 PolarHBondContact O-SG 3.3Å; W244-C287 PolarHBondContact N-O 2.72Å; V285-C287 PolarHBondContact O-N 3.03Å; V285-C287 VanDerWaalsContact O-N 3.13Å
288	L	98.1	Very high	93.5	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.3	179.1	-174	153.7	0	0	0	111.2	W244 V246 L279 H282 V285 S286 P290	W244-L288 HydrophobicContact CE3-CB 4.04Å; W244-L288 HydrophobicContact CE3-CD1 3.92Å; W244-L288 HydrophobicContact CE3-CG 4.11Å; W244-L288 HydrophobicContact CH2-CD1 4.41Å; W244-L288 HydrophobicContact CZ3-CD1 3.71Å; W244-L288 HydrophobicContact CZ3-CG 4.41Å; W244-L288 CarbonylContact O-C 3.55Å; W244-L288 WeakPolarHBondContact O-CA 3.29Å; V246-L288 HydrophobicContact CG2-CD1 4.05Å; V246-L288 HydrophobicContact CG2-CG 3.88Å; L279-L288 HydrophobicContact CD2-CD1 4.47Å; L279-L288 HydrophobicContact CD2-CD2 4.12Å; H282-L288 HydrophobicContact CB-CD1 3.7Å; V285-L288 HydrophobicContact CB-CB 4.35Å; V285-L288 HydrophobicContact CG1-CB 4.42Å; V285-L288 WeakPolarHBondContact O-CB 3.38Å; V285-L288 PolarHBondContact O-N 2.75Å; S286-L288 VanDerWaalsContact C-N 3.32Å; L288-P290 HydrophobicContact CD2-CB 4.14Å; L288-P290 HydrophobicContact CD2-CG 4.19Å
289	V	97.5	Very high	93	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	106.4	176.2	-172.8	0	0	0	0	109.4	R243 W244 K245 V246	R243-V289 HydrophobicContact CG-CG2 3.82Å; R243-V289 VanDerWaalsContact CZ-CG2 3.45Å; W244-V289 PolarHBondContact O-N 3.39Å; K245-V289 HydrophobicContact CD-CB 3.98Å; K245-V289 HydrophobicContact CD-CG1 4.04Å; V246-V289 PolarHBondContact N-O 2.56Å
290	P	96.8	Very high	92.8	Very high	39 Å²	39	53.3 Å²	53.3	25%	0.253	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.7	-172.5	32.9	-31.3	0	0	0	111.9	L279 L288	L279-P290 HydrophobicContact CD1-CB 3.52Å; L279-P290 HydrophobicContact CD1-CG 4.28Å; L279-P290 HydrophobicContact CD2-CB 3.73Å; L279-P290 HydrophobicContact CG-CB 4.29Å; L288-P290 HydrophobicContact CD2-CB 4.14Å; L288-P290 HydrophobicContact CD2-CG 4.19Å
291	E	93.1	Very high	92.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	92.3	175.8	-71.6	-167	-161.9	0	0	110	K245 V246 F247 Q248 Y300 R345	K245-E291 HydrophobicContact CD-CG 4.49Å; K245-E291 WeakPolarHBondContact CD-OE1 3.45Å; K245-E291 WeakPolarHBondContact CE-OE1 3.37Å; K245-E291 IonicContact NZ-OE1 3.98Å; K245-E291 PolarHBondContact NZ-OE1 3.47Å; V246-E291 PolarHBondContact O-N 3.33Å; F247-E291 WeakPolarHBondContact CA-O 3.45Å; F247-E291 HydrophobicContact CD1-CB 3.73Å; F247-E291 HydrophobicContact CD1-CG 4.38Å; F247-E291 HydrophobicContact CE1-CB 4.15Å; F247-E291 HydrophobicContact CE1-CG 4.32Å; F247-E291 WeakPolarHBondContact CE1-OE2 3.18Å; Q248-E291 PolarHBondContact N-O 3.31Å; E291-Y300 PolarHBondContact OE1-OH 2.96Å; E291-Y300 VanDerWaalsContact OE2-CE2 3.29Å; E291-Y300 WeakPolarHBondContact OE2-CE2 3.43Å; E291-Y300 PolarHBondContact OE2-OH 3.24Å; E291-R345 IonicContact OE1-CZ 2.81Å; E291-R345 IonicContact OE1-NH1 3.52Å; E291-R345 PolarHBondContact OE1-NH1 3.23Å; E291-R345 IonicContact OE2-NH1 3.65Å
292	S	93.7	Very high	92.6	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	24%	0.235	C	C	.	.			trans	-65.4	167	167.6	63.2	0	0	0	0	111.1	Q294 K295 M296	S292-Q294 PolarHBondContact O-N 2.98Å; S292-K295 WeakPolarHBondContact O-CA 3.42Å; S292-K295 PolarHBondContact O-N 2.58Å; S292-M296 PolarHBondContact O-N 2.84Å
293	N	90.1	Very high	92.6	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-40.5	-179.5	-73.2	-10.7	0	0	0	112.3	Q248 C249 L250 K295 M296 K297	Q248-N293 PolarHBondContact O-OD1 2.77Å; C249-N293 PolarHBondContact O-ND2 2.59Å; C249-N293 VanDerWaalsContact O-ND2 3.13Å; C249-N293 PolarHBondContact O-OD1 2.94Å; L250-N293 HydrophobicContact CD1-CB 3.85Å; N293-K295 VanDerWaalsContact C-N 3.32Å; N293-K295 PolarHBondContact O-N 2.92Å; N293-M296 PolarHBondContact O-N 3.2Å; N293-K297 WeakPolarHBondContact O-CB 3.28Å; N293-K297 PolarHBondContact O-N 3.31Å; N293-K297 VanDerWaalsContact O-N 3.13Å
294	Q	85.4	Confident	92.7	Very high	142 Å²	142	39.1 Å²	39.1	66%	0.664	21%	0.206	S	C	*	.	H	α-helix	trans	-63.4	-34.5	176.1	-173.2	60.3	55.3	0	0	113.2	S292	S292-Q294 PolarHBondContact O-N 2.98Å
295	K	81.9	Confident	92.8	Very high	60 Å²	60	32.6 Å²	32.6	26%	0.261	18%	0.176	S	C	.	.	H	α-helix	trans	-78.3	-31.5	178.3	-68.4	176	-178.1	170	0	111.9	S292 N293 S299 M341	S292-K295 WeakPolarHBondContact O-CA 3.42Å; S292-K295 PolarHBondContact O-N 2.58Å; N293-K295 VanDerWaalsContact C-N 3.32Å; N293-K295 PolarHBondContact O-N 2.92Å; K295-S299 VanDerWaalsContact O-CB 3.23Å; K295-S299 WeakPolarHBondContact O-CB 3.4Å; K295-S299 PolarHBondContact O-OG 2.83Å; K295-M341 HydrophobicContact CB-SD 4.4Å; K295-M341 HydrophobicContact CG-SD 4.21Å
296	M	82.3	Confident	92.8	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.069	19%	0.188	C	C	.	.	H	α-helix	trans	-83.6	-44.5	-172.2	-170	-169.1	-61.2	0	0	113.2	F90 F247 L250 S292 N293 D298 S299 Y300	F90-M296 HydrophobicContact CE2-SD 3.85Å; F247-M296 HydrophobicContact CB-CE 3.45Å; F247-M296 VanDerWaalsContact CB-CE 3.45Å; F247-M296 HydrophobicContact CD1-CE 3.24Å; F247-M296 HydrophobicContact CE1-CE 4.17Å; F247-M296 HydrophobicContact CG-CE 3.59Å; L250-M296 HydrophobicContact CB-SD 4.22Å; L250-M296 HydrophobicContact CD2-CG 4.32Å; L250-M296 HydrophobicContact CD2-SD 3.68Å; S292-M296 PolarHBondContact O-N 2.84Å; N293-M296 PolarHBondContact O-N 3.2Å; M296-D298 PolarHBondContact O-N 3.46Å; M296-S299 PolarHBondContact O-N 2.87Å; M296-S299 PolarHBondContact O-OG 3.07Å; M296-Y300 HydrophobicContact CG-CD2 4.46Å; M296-Y300 HydrophobicContact CG-CE2 3.98Å; M296-Y300 WeakPolarHBondContact O-CD2 3.24Å
297	K	82.3	Confident	92.9	Very high	66 Å²	66	30 Å²	30	29%	0.287	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-51.6	-160.6	-170.8	176.8	166.3	-175.5	0	114.1	N293 C312 R313	N293-K297 WeakPolarHBondContact O-CB 3.28Å; N293-K297 PolarHBondContact O-N 3.31Å; N293-K297 VanDerWaalsContact O-N 3.13Å; K297-C312 WeakPolarHBondContact CE-O 3.5Å; K297-C312 HydrophobicContact CG-CB 4.19Å; K297-C312 WeakPolarHBondContact O-CB 3.44Å; K297-R313 WeakPolarHBondContact CE-O 2.84Å; K297-R313 PolarHBondContact NZ-O 3.4Å
298	D	85.6	Confident	93.1	Very high	32 Å²	32	32.3 Å²	32.3	17%	0.171	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	6.7	-169.7	-58.3	-45	0	0	0	114.1	M296 C312 R313 D338	M296-D298 PolarHBondContact O-N 3.46Å; D298-C312 WeakPolarHBondContact OD1-CB 3.45Å; D298-R313 HydrophobicContact CB-CG 4.43Å; D298-R313 WeakPolarHBondContact OD1-CA 3.26Å; D298-R313 WeakPolarHBondContact OD1-CG 3.35Å; D298-R313 PolarHBondContact OD1-N 2.89Å; D298-D338 HydrophobicContact CB-CB 4.28Å; D298-D338 PolarHBondContact O-N 2.94Å
299	S	88.4	Confident	93.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-98.1	16	-170.6	68.7	0	0	0	0	114	K295 M296 R345	K295-S299 VanDerWaalsContact O-CB 3.23Å; K295-S299 WeakPolarHBondContact O-CB 3.4Å; K295-S299 PolarHBondContact O-OG 2.83Å; M296-S299 PolarHBondContact O-N 2.87Å; M296-S299 PolarHBondContact O-OG 3.07Å; S299-R345 VanDerWaalsContact CB-NE 3.35Å; S299-R345 PolarHBondContact O-NE 2.8Å; S299-R345 PolarHBondContact O-NH2 3.27Å; S299-R345 WeakPolarHBondContact OG-CD 3.41Å; S299-R345 PolarHBondContact OG-NE 2.82Å
300	Y	92.8	Very high	93.1	Very high	44 Å²	44	30.1 Å²	30.1	17%	0.173	14%	0.14	C	C	.	.			trans	-127.7	133.1	180	-72.7	-96.9	0	0	0	110.3	E291 M296 I302 R345	E291-Y300 PolarHBondContact OE1-OH 2.96Å; E291-Y300 VanDerWaalsContact OE2-CE2 3.29Å; E291-Y300 WeakPolarHBondContact OE2-CE2 3.43Å; E291-Y300 PolarHBondContact OE2-OH 3.24Å; M296-Y300 HydrophobicContact CG-CD2 4.46Å; M296-Y300 HydrophobicContact CG-CE2 3.98Å; M296-Y300 WeakPolarHBondContact O-CD2 3.24Å; Y300-I302 PolarHBondContact O-N 3.46Å; Y300-R345 VanDerWaalsContact CD1-NH2 3.3Å; Y300-R345 VanDerWaalsContact CE2-CZ 3.45Å; Y300-R345 PolarHBondContact OH-NH1 3.24Å
301	L	97	Very high	93.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.2	159.3	-72.3	168.9	0	0	0	108.2	P71 V74 N75 F309 I332 F337	P71-L301 HydrophobicContact CB-CD1 3.87Å; V74-L301 HydrophobicContact CG2-CB 4.44Å; V74-L301 HydrophobicContact CG2-CD1 4.48Å; N75-L301 PolarHBondContact N-O 3.1Å; N75-L301 PolarHBondContact ND2-O 3.25Å; L301-F309 HydrophobicContact CB-CE1 4.2Å; L301-F309 HydrophobicContact CD2-CD1 4.02Å; L301-F309 HydrophobicContact CD2-CE1 3.93Å; L301-I332 HydrophobicContact CD1-CD1 4.05Å; L301-I332 HydrophobicContact CD2-CD1 4.01Å; L301-I332 HydrophobicContact CD2-CG1 3.96Å; L301-F337 HydrophobicContact CD1-CD1 4.38Å; L301-F337 HydrophobicContact CD1-CE1 4.38Å; L301-F337 HydrophobicContact CD1-CG 4.47Å; L301-F337 HydrophobicContact CD1-CZ 4.5Å; L301-F337 HydrophobicContact CD2-CB 3.64Å; L301-F337 HydrophobicContact CD2-CD1 4.31Å; L301-F337 HydrophobicContact CD2-CD2 4.11Å; L301-F337 HydrophobicContact CD2-CG 3.79Å; L301-F337 HydrophobicContact CG-CB 4.22Å; L301-F337 HydrophobicContact CG-CD1 4.19Å; L301-F337 HydrophobicContact CG-CD2 3.73Å; L301-F337 HydrophobicContact CG-CE1 4.45Å; L301-F337 HydrophobicContact CG-CE2 4.03Å; L301-F337 HydrophobicContact CG-CG 3.8Å; L301-F337 HydrophobicContact CG-CZ 4.37Å
302	I	97.9	Very high	93.1	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.092	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.7	-178.3	-53.5	172.4	0	0	0	107.8	N75 Y300 F309 L310	N75-I302 CarbonylContact O-C 3.48Å; N75-I302 WeakPolarHBondContact O-CA 3.26Å; Y300-I302 PolarHBondContact O-N 3.46Å; I302-F309 CarbonylContact O-C 3.57Å; I302-F309 VanDerWaalsContact O-CA 3.29Å; I302-F309 WeakPolarHBondContact O-CA 3.41Å; I302-L310 HydrophobicContact CB-CB 4.3Å; I302-L310 HydrophobicContact CG2-CB 4.43Å; I302-L310 HydrophobicContact CG2-CD1 3.92Å; I302-L310 HydrophobicContact CG2-CG 4.34Å; I302-L310 PolarHBondContact O-N 2.83Å
303	L	98.4	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.7	166.9	-73.3	177.3	0	0	0	109.4	V74 N75 Y76 H77 L111 R308 F309 I323	V74-L303 HydrophobicContact CG1-CB 4.47Å; V74-L303 HydrophobicContact CG1-CD1 3.7Å; V74-L303 HydrophobicContact CG1-CG 3.85Å; N75-L303 PolarHBondContact O-N 2.95Å; Y76-L303 HydrophobicContact CD2-CB 3.99Å; H77-L303 WeakPolarHBondContact CB-O 3.3Å; H77-L303 PolarHBondContact N-O 2.97Å; L111-L303 HydrophobicContact CD1-CD1 3.46Å; L111-L303 VanDerWaalsContact CD1-CD1 3.46Å; L111-L303 HydrophobicContact CD2-CD1 4.17Å; L111-L303 HydrophobicContact CG-CD1 4.34Å; L303-R308 WeakPolarHBondContact CA-O 3.31Å; L303-F309 HydrophobicContact CD2-CD1 3.57Å; L303-F309 HydrophobicContact CD2-CD2 4.09Å; L303-F309 HydrophobicContact CD2-CE1 3.64Å; L303-F309 HydrophobicContact CD2-CE2 4.17Å; L303-F309 HydrophobicContact CD2-CG 3.81Å; L303-F309 HydrophobicContact CD2-CZ 3.96Å; L303-F309 HydrophobicContact CG-CD1 4.09Å; L303-F309 HydrophobicContact CG-CE1 3.93Å; L303-F309 HydrophobicContact CG-CZ 4.49Å; L303-I323 HydrophobicContact CD1-CD1 4.16Å; L303-I323 HydrophobicContact CD2-CG2 4.28Å
304	D	98.6	Very high	93.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	18%	0.18	C	C	.	.			trans	-81.4	-174.9	173.4	80.4	-6.1	0	0	0	112.8	Y76 H77 Y306 M307 R308 L310	Y76-D304 WeakPolarHBondContact CE2-O 3.3Å; H77-D304 CarbonylContact O-C 3.59Å; H77-D304 VanDerWaalsContact O-C 3.28Å; D304-Y306 PolarHBondContact O-N 2.75Å; D304-Y306 VanDerWaalsContact O-N 3.12Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.35Å; D304-Y306 PolarHBondContact OD1-N 3.41Å; D304-M307 PolarHBondContact O-N 3.05Å; D304-M307 PolarHBondContact OD1-N 2.93Å; D304-R308 PolarHBondContact N-O 3.03Å; D304-R308 WeakPolarHBondContact OD1-CB 3.45Å; D304-R308 PolarHBondContact OD1-N 2.86Å; D304-R308 IonicContact OD1-NE 3.22Å; D304-R308 IonicContact OD2-CZ 3.39Å; D304-R308 IonicContact OD2-NE 2.72Å; D304-R308 PolarHBondContact OD2-NE 3.2Å; D304-R308 IonicContact OD2-NH2 3.39Å; D304-R308 PolarHBondContact OD2-NH2 3.27Å; D304-L310 HydrophobicContact CB-CD1 3.91Å; D304-L310 HydrophobicContact CB-CD2 3.83Å; D304-L310 HydrophobicContact CB-CG 3.96Å
305	E	98.6	Very high	93.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.7	-176.3	69.3	-83.1	-162	0	0	114.2	H77 R80 T95 F97	H77-E305 WeakPolarHBondContact O-CA 3.33Å; H77-E305 PolarHBondContact O-N 2.84Å; R80-E305 VanDerWaalsContact CD-OE1 3.27Å; R80-E305 WeakPolarHBondContact CD-OE1 3.26Å; R80-E305 WeakPolarHBondContact CD-OE2 3.4Å; R80-E305 IonicContact CZ-OE2 3.93Å; R80-E305 IonicContact NE-OE1 2.9Å; R80-E305 PolarHBondContact NE-OE1 2.7Å; R80-E305 IonicContact NE-OE2 3.84Å; R80-E305 PolarHBondContact NE-OE2 2.91Å; T95-E305 WeakPolarHBondContact CG2-OE1 3.49Å; T95-E305 PolarHBondContact OG1-OE1 3.28Å; F97-E305 HydrophobicContact CB-CG 4.25Å; F97-E305 HydrophobicContact CD1-CB 4.38Å; F97-E305 HydrophobicContact CD1-CG 3.99Å; F97-E305 WeakPolarHBondContact CD1-O 3.24Å; F97-E305 WeakPolarHBondContact CE1-O 3.24Å
306	Y	98.7	Very high	93.9	Very high	77 Å²	77	37.3 Å²	37.3	30%	0.302	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	7.7	174.6	-58.8	-85.7	0	0	0	112.4	T95 F97 D304 R308 S322	T95-Y306 HydrophobicContact CG2-CE2 4.42Å; F97-Y306 HydrophobicContact CB-CE1 4.02Å; F97-Y306 HydrophobicContact CB-CE2 4.47Å; F97-Y306 WeakPolarHBondContact CB-OH 3.38Å; F97-Y306 AromaticContact CD1-CD1 3.43Å; F97-Y306 HydrophobicContact CD1-CD1 3.43Å; F97-Y306 VanDerWaalsContact CD1-CD1 3.43Å; F97-Y306 HydrophobicContact CD1-CD2 4.38Å; F97-Y306 AromaticContact CD1-CE1 3.22Å; F97-Y306 HydrophobicContact CD1-CE1 3.22Å; F97-Y306 HydrophobicContact CD1-CE2 4.23Å; F97-Y306 HydrophobicContact CD1-CG 4.01Å; F97-Y306 AromaticContact CD1-CZ 3.65Å; F97-Y306 AromaticContact CD2-CE1 3.96Å; F97-Y306 HydrophobicContact CD2-CE1 3.96Å; F97-Y306 AromaticContact CE1-CD1 3.31Å; F97-Y306 HydrophobicContact CE1-CD1 3.31Å; F97-Y306 AromaticContact CE1-CE1 3.51Å; F97-Y306 HydrophobicContact CE1-CE1 3.51Å; F97-Y306 HydrophobicContact CE1-CG 4.05Å; F97-Y306 HydrophobicContact CE2-CE1 4.22Å; F97-Y306 HydrophobicContact CG-CD1 4.14Å; F97-Y306 AromaticContact CG-CE1 3.46Å; F97-Y306 HydrophobicContact CG-CE1 3.46Å; F97-Y306 VanDerWaalsContact CG-CE1 3.46Å; F97-Y306 AromaticContact CG-CZ 3.71Å; F97-Y306 AromaticContact CZ-CD1 3.97Å; F97-Y306 HydrophobicContact CZ-CD1 3.97Å; F97-Y306 AromaticContact CZ-CE1 4Å; F97-Y306 HydrophobicContact CZ-CE1 4Å; D304-Y306 PolarHBondContact O-N 2.75Å; D304-Y306 VanDerWaalsContact O-N 3.12Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.35Å; D304-Y306 PolarHBondContact OD1-N 3.41Å; Y306-R308 VanDerWaalsContact C-N 3.34Å; Y306-R308 PolarHBondContact O-N 2.96Å; Y306-S322 WeakPolarHBondContact O-CB 3.26Å; Y306-S322 PolarHBondContact O-OG 3.17Å
307	M	98.6	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	56.2	44	-171.8	-65.1	-179.7	151.8	0	0	113.5	Y76 L99 A104 L108 D304 S322 I323 L324	Y76-M307 HydrophobicContact CD1-CE 4.18Å; Y76-M307 HydrophobicContact CD2-CG 4.44Å; Y76-M307 HydrophobicContact CE1-CE 3.56Å; Y76-M307 HydrophobicContact CE2-CE 4.14Å; Y76-M307 HydrophobicContact CE2-CG 3.73Å; L99-M307 HydrophobicContact CD1-CB 4.26Å; L99-M307 HydrophobicContact CD1-CE 4.42Å; L99-M307 HydrophobicContact CD1-CG 3.5Å; L99-M307 HydrophobicContact CD1-SD 3.65Å; A104-M307 HydrophobicContact CB-CE 4.12Å; A104-M307 VanDerWaalsContact O-CE 3.24Å; A104-M307 WeakPolarHBondContact O-CE 3.37Å; L108-M307 HydrophobicContact CG-CE 4.25Å; D304-M307 PolarHBondContact O-N 3.05Å; D304-M307 PolarHBondContact OD1-N 2.93Å; M307-S322 WeakPolarHBondContact O-CA 3.41Å; M307-S322 PolarHBondContact O-OG 2.99Å; M307-I323 HydrophobicContact CB-CD1 4.01Å; M307-I323 HydrophobicContact CB-CG1 3.85Å; M307-I323 PolarHBondContact O-N 3.49Å; M307-I323 HydrophobicContact SD-CD1 4.14Å; M307-I323 HydrophobicContact SD-CG1 4.45Å; M307-L324 HydrophobicContact SD-CD1 4.13Å; M307-L324 HydrophobicContact SD-CD2 4.09Å; M307-L324 HydrophobicContact SD-CG 4.13Å
308	R	98.8	Very high	95.2	Very high	71 Å²	71	37.3 Å²	37.3	27%	0.268	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.7	169.3	-55.7	174.6	-58.7	-180	1.2	109.3	L303 D304 Y306 P319 S320	L303-R308 WeakPolarHBondContact CA-O 3.31Å; D304-R308 PolarHBondContact N-O 3.03Å; D304-R308 WeakPolarHBondContact OD1-CB 3.45Å; D304-R308 PolarHBondContact OD1-N 2.86Å; D304-R308 IonicContact OD1-NE 3.22Å; D304-R308 IonicContact OD2-CZ 3.39Å; D304-R308 IonicContact OD2-NE 2.72Å; D304-R308 PolarHBondContact OD2-NE 3.2Å; D304-R308 IonicContact OD2-NH2 3.39Å; D304-R308 PolarHBondContact OD2-NH2 3.27Å; Y306-R308 VanDerWaalsContact C-N 3.34Å; Y306-R308 PolarHBondContact O-N 2.96Å; R308-P319 HydrophobicContact CB-CB 4.08Å; R308-S320 WeakPolarHBondContact CB-O 3.45Å; R308-S320 VanDerWaalsContact CD-O 3.24Å; R308-S320 WeakPolarHBondContact CD-O 2.99Å; R308-S320 WeakPolarHBondContact CG-O 3.5Å
309	F	98.5	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.2	172.6	-72.8	-70.1	0	0	0	110	L111 L301 I302 L303 P319 S320 I323 V328 A331 I332	L111-F309 HydrophobicContact CD2-CZ 4.14Å; L301-F309 HydrophobicContact CB-CE1 4.2Å; L301-F309 HydrophobicContact CD2-CD1 4.02Å; L301-F309 HydrophobicContact CD2-CE1 3.93Å; I302-F309 CarbonylContact O-C 3.57Å; I302-F309 VanDerWaalsContact O-CA 3.29Å; I302-F309 WeakPolarHBondContact O-CA 3.41Å; L303-F309 HydrophobicContact CD2-CD1 3.57Å; L303-F309 HydrophobicContact CD2-CD2 4.09Å; L303-F309 HydrophobicContact CD2-CE1 3.64Å; L303-F309 HydrophobicContact CD2-CE2 4.17Å; L303-F309 HydrophobicContact CD2-CG 3.81Å; L303-F309 HydrophobicContact CD2-CZ 3.96Å; L303-F309 HydrophobicContact CG-CD1 4.09Å; L303-F309 HydrophobicContact CG-CE1 3.93Å; L303-F309 HydrophobicContact CG-CZ 4.49Å; F309-P319 CarbonylContact O-C 3.09Å; F309-P319 WeakPolarHBondContact O-CA 3.39Å; F309-S320 PolarHBondContact N-OG 2.97Å; F309-S320 PolarHBondContact O-N 2.72Å; F309-I323 HydrophobicContact CD2-CG2 4.25Å; F309-I323 HydrophobicContact CE2-CG2 3.76Å; F309-I323 HydrophobicContact CZ-CG2 4.45Å; F309-V328 HydrophobicContact CE2-CG1 4.41Å; F309-V328 HydrophobicContact CZ-CG1 4.44Å; F309-A331 HydrophobicContact CD2-CB 3.83Å; F309-A331 HydrophobicContact CE2-CB 4.14Å; F309-I332 HydrophobicContact CD2-CB 4.1Å; F309-I332 HydrophobicContact CD2-CG1 4.38Å; F309-I332 HydrophobicContact CE1-CG1 4.48Å; F309-I332 HydrophobicContact CE2-CB 3.66Å; F309-I332 HydrophobicContact CE2-CD1 4.38Å; F309-I332 HydrophobicContact CE2-CG1 3.96Å; F309-I332 HydrophobicContact CZ-CB 4.18Å; F309-I332 HydrophobicContact CZ-CD1 4.02Å; F309-I332 HydrophobicContact CZ-CG1 4.01Å
310	L	97.7	Very high	96.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117	177.5	-58	-175.9	0	0	0	110.2	I302 D304 K317 P319	I302-L310 HydrophobicContact CB-CB 4.3Å; I302-L310 HydrophobicContact CG2-CB 4.43Å; I302-L310 HydrophobicContact CG2-CD1 3.92Å; I302-L310 HydrophobicContact CG2-CG 4.34Å; I302-L310 PolarHBondContact O-N 2.83Å; D304-L310 HydrophobicContact CB-CD1 3.91Å; D304-L310 HydrophobicContact CB-CD2 3.83Å; D304-L310 HydrophobicContact CB-CG 3.96Å; L310-K317 HydrophobicContact CB-CB 4.29Å; L310-K317 HydrophobicContact CB-CG 4.34Å; L310-K317 HydrophobicContact CD1-CB 4.16Å; L310-K317 HydrophobicContact CD1-CD 3.86Å; L310-K317 HydrophobicContact CD1-CG 4.18Å; L310-P319 HydrophobicContact CD2-CB 3.84Å
311	N	96.4	Very high	96.5	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.3	175.1	-169.8	-33.1	0	0	0	110.9	R313 D318 F334 S335 G336	N311-R313 WeakPolarHBondContact OD1-CB 3.17Å; N311-R313 WeakPolarHBondContact OD1-CG 3.3Å; N311-R313 PolarHBondContact OD1-N 3.29Å; N311-D318 HydrophobicContact CB-CB 4.32Å; N311-D318 PolarHBondContact N-O 3.08Å; N311-D318 PolarHBondContact O-N 3.46Å; N311-F334 WeakPolarHBondContact CB-O 3.41Å; N311-F334 PolarHBondContact ND2-O 2.91Å; N311-S335 VanDerWaalsContact CA-O 3.28Å; N311-S335 WeakPolarHBondContact CA-O 3.34Å; N311-G336 WeakPolarHBondContact ND2-CA 3.41Å; N311-G336 PolarHBondContact ND2-N 3.12Å
312	C	94.4	Very high	96.6	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.061	21%	0.205	C	C	.	.			trans	-102.5	-4.8	-176.6	-68.5	0	0	0	0	114.7	K297 D298 K314 G315 R316	K297-C312 WeakPolarHBondContact CE-O 3.5Å; K297-C312 HydrophobicContact CG-CB 4.19Å; K297-C312 WeakPolarHBondContact O-CB 3.44Å; D298-C312 WeakPolarHBondContact OD1-CB 3.45Å; C312-K314 PolarHBondContact O-N 3.16Å; C312-K314 VanDerWaalsContact O-N 3.09Å; C312-G315 PolarHBondContact O-N 2.83Å; C312-R316 VanDerWaalsContact CA-O 3.26Å; C312-R316 WeakPolarHBondContact CA-O 3.02Å
313	R	91	Very high	96.6	Very high	140 Å²	140	44.1 Å²	44.1	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-36.5	-167.5	-71.4	-175.8	178.9	177.2	2.2	113	K297 D298 N311 G315 G336 F337	K297-R313 WeakPolarHBondContact CE-O 2.84Å; K297-R313 PolarHBondContact NZ-O 3.4Å; D298-R313 HydrophobicContact CB-CG 4.43Å; D298-R313 WeakPolarHBondContact OD1-CA 3.26Å; D298-R313 WeakPolarHBondContact OD1-CG 3.35Å; D298-R313 PolarHBondContact OD1-N 2.89Å; N311-R313 WeakPolarHBondContact OD1-CB 3.17Å; N311-R313 WeakPolarHBondContact OD1-CG 3.3Å; N311-R313 PolarHBondContact OD1-N 3.29Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.43Å; R313-G336 PolarHBondContact NE-O 3.44Å; R313-G336 PolarHBondContact NH2-O 3.21Å; R313-F337 PolarHBondContact NH2-O 3.29Å
314	K	90.9	Very high	96.6	Very high	155 Å²	155	45 Å²	45	67%	0.674	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	5.2	-179.7	-63.9	-179.5	-178.4	175.1	0	114.1	C312 R316	C312-K314 PolarHBondContact O-N 3.16Å; C312-K314 VanDerWaalsContact O-N 3.09Å; K314-R316 VanDerWaalsContact C-N 3.27Å; K314-R316 PolarHBondContact O-N 2.8Å
315	G	91.1	Very high	96.6	Very high	15 Å²	15	51.2 Å²	51.2	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	80.6	4.2	-177.2	0	0	0	0	0	114.3	I252 E253 C312 R313	I252-G315 CarbonylContact C-O 3.52Å; I252-G315 WeakPolarHBondContact CA-O 3.49Å; E253-G315 PolarHBondContact N-O 3.15Å; C312-G315 PolarHBondContact O-N 2.83Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.43Å
316	R	93.3	Very high	96.6	Very high	101 Å²	101	53.5 Å²	53.5	38%	0.381	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-112.9	174.5	171.3	-74.8	-171.3	-73.9	-133.3	3.2	109.9	E253 C312 K314	E253-R316 HydrophobicContact CB-CG 3.53Å; E253-R316 VanDerWaalsContact CD-CD 3.5Å; E253-R316 HydrophobicContact CG-CG 3.75Å; E253-R316 IonicContact OE1-CZ 3.05Å; E253-R316 IonicContact OE1-NE 3.93Å; E253-R316 IonicContact OE1-NH1 2.97Å; E253-R316 PolarHBondContact OE1-NH1 3.19Å; E253-R316 IonicContact OE2-CZ 3.99Å; E253-R316 IonicContact OE2-NE 3.4Å; E253-R316 IonicContact OE2-NH1 3.23Å; C312-R316 VanDerWaalsContact CA-O 3.26Å; C312-R316 WeakPolarHBondContact CA-O 3.02Å; K314-R316 VanDerWaalsContact C-N 3.27Å; K314-R316 PolarHBondContact O-N 2.8Å
317	K	95.3	Very high	96.6	Very high	24 Å²	24	51 Å²	51	10%	0.104	25%	0.251	C	S	.	.			trans	-104.7	87.9	167.8	-79.8	174	178.6	177.7	0	109.6	F90 H91 I252 E255 L310 P319	F90-K317 PolarHBondContact O-NZ 2.97Å; H91-K317 PolarHBondContact ND1-NZ 3.45Å; I252-K317 HydrophobicContact CG2-CD 4.28Å; I252-K317 HydrophobicContact CG2-CG 4.02Å; E255-K317 HydrophobicContact CG-CD 4.1Å; L310-K317 HydrophobicContact CB-CB 4.29Å; L310-K317 HydrophobicContact CB-CG 4.34Å; L310-K317 HydrophobicContact CD1-CB 4.16Å; L310-K317 HydrophobicContact CD1-CD 3.86Å; L310-K317 HydrophobicContact CD1-CG 4.18Å; K317-P319 WeakPolarHBondContact O-CD 3.44Å
318	D	96.6	Very high	96.5	Very high	56 Å²	56	51.6 Å²	51.6	30%	0.299	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.1	-178.9	-62.3	-34.1	0	0	0	109.5	N311	N311-D318 HydrophobicContact CB-CB 4.32Å; N311-D318 PolarHBondContact N-O 3.08Å; N311-D318 PolarHBondContact O-N 3.46Å
319	P	97.7	Very high	96.4	Very high	63 Å²	63	54.8 Å²	54.8	41%	0.409	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.2	-175.8	31.1	-34.1	0	0	0	112.7	R308 F309 L310 K317	R308-P319 HydrophobicContact CB-CB 4.08Å; F309-P319 CarbonylContact O-C 3.09Å; F309-P319 WeakPolarHBondContact O-CA 3.39Å; L310-P319 HydrophobicContact CD2-CB 3.84Å; K317-P319 WeakPolarHBondContact O-CD 3.44Å
320	S	98.3	Very high	96.4	Very high	14 Å²	14	58.8 Å²	58.8	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-177	163.9	73.1	0	0	0	0	111.8	R308 F309	R308-S320 WeakPolarHBondContact CB-O 3.45Å; R308-S320 VanDerWaalsContact CD-O 3.24Å; R308-S320 WeakPolarHBondContact CD-O 2.99Å; R308-S320 WeakPolarHBondContact CG-O 3.5Å; F309-S320 PolarHBondContact N-OG 2.97Å; F309-S320 PolarHBondContact O-N 2.72Å
321	K	98.3	Very high	96.4	Very high	151 Å²	151	58.6 Å²	58.6	66%	0.657	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	158.5	158.2	-68.3	-177.4	177.4	-179.1	0	110.4	V326	K321-V326 HydrophobicContact CB-CG1 3.94Å; K321-V326 HydrophobicContact CB-CG2 3.78Å; K321-V326 HydrophobicContact CD-CG1 3.61Å; K321-V326 HydrophobicContact CG-CG1 4.44Å
322	S	98.8	Very high	96.4	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.063	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141.9	-179.6	-174.7	0	0	0	0	110.7	Y306 M307 L324 D325 V326	Y306-S322 WeakPolarHBondContact O-CB 3.26Å; Y306-S322 PolarHBondContact O-OG 3.17Å; M307-S322 WeakPolarHBondContact O-CA 3.41Å; M307-S322 PolarHBondContact O-OG 2.99Å; S322-L324 PolarHBondContact O-N 3.05Å; S322-L324 VanDerWaalsContact O-N 3.16Å; S322-L324 WeakPolarHBondContact OG-CB 3.4Å; S322-L324 PolarHBondContact OG-N 3.47Å; S322-D325 WeakPolarHBondContact CB-OD2 3.22Å; S322-D325 PolarHBondContact O-N 3.46Å; S322-V326 WeakPolarHBondContact O-CG2 3.5Å; S322-V326 PolarHBondContact O-N 3.26Å; S322-V326 VanDerWaalsContact O-N 3.08Å
323	I	98.7	Very high	96.5	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-23.3	170.6	70.1	-177.8	0	0	0	111.7	L111 L303 M307 F309 D325 G327 V328 A331	L111-I323 HydrophobicContact CD1-CD1 4.15Å; L111-I323 HydrophobicContact CD2-CD1 4.16Å; L111-I323 HydrophobicContact CG-CD1 3.91Å; L303-I323 HydrophobicContact CD1-CD1 4.16Å; L303-I323 HydrophobicContact CD2-CG2 4.28Å; M307-I323 HydrophobicContact CB-CD1 4.01Å; M307-I323 HydrophobicContact CB-CG1 3.85Å; M307-I323 PolarHBondContact O-N 3.49Å; M307-I323 HydrophobicContact SD-CD1 4.14Å; M307-I323 HydrophobicContact SD-CG1 4.45Å; F309-I323 HydrophobicContact CD2-CG2 4.25Å; F309-I323 HydrophobicContact CE2-CG2 3.76Å; F309-I323 HydrophobicContact CZ-CG2 4.45Å; I323-D325 PolarHBondContact O-N 3.38Å; I323-G327 WeakPolarHBondContact O-CA 3.49Å; I323-G327 PolarHBondContact O-N 3.08Å; I323-V328 HydrophobicContact CB-CG2 4.06Å; I323-V328 HydrophobicContact CD1-CG2 4.38Å; I323-V328 HydrophobicContact CG2-CG2 4.14Å; I323-A331 HydrophobicContact CG2-CB 3.83Å
324	L	98.6	Very high	96.7	Very high	19 Å²	19	62.4 Å²	62.4	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-71.4	-21.6	178.1	-65.6	-177.9	0	0	0	112.9	L99 E103 R106 L110 M307 S322	L99-L324 HydrophobicContact CD1-CD1 3.81Å; L99-L324 HydrophobicContact CD2-CD1 3.93Å; E103-L324 HydrophobicContact CB-CD1 4.43Å; R106-L324 PolarHBondContact NH1-O 2.94Å; R106-L324 PolarHBondContact NH2-O 3.34Å; L110-L324 HydrophobicContact CD1-CD2 4.47Å; M307-L324 HydrophobicContact SD-CD1 4.13Å; M307-L324 HydrophobicContact SD-CD2 4.09Å; M307-L324 HydrophobicContact SD-CG 4.13Å; S322-L324 PolarHBondContact O-N 3.05Å; S322-L324 VanDerWaalsContact O-N 3.16Å; S322-L324 WeakPolarHBondContact OG-CB 3.4Å; S322-L324 PolarHBondContact OG-N 3.47Å
325	D	98.4	Very high	96.9	Very high	132 Å²	132	55.4 Å²	55.4	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-103.3	-43.9	-177.1	-57.6	-35.9	0	0	0	112.3	S322 I323	S322-D325 WeakPolarHBondContact CB-OD2 3.22Å; S322-D325 PolarHBondContact O-N 3.46Å; I323-D325 PolarHBondContact O-N 3.38Å
326	V	98.4	Very high	96.9	Very high	50 Å²	50	55 Å²	55	30%	0.303	27%	0.274	S	S	.	.	H	α-helix	trans	-115.2	-0.9	-173.1	-57.9	0	0	0	0	114.1	K321 S322 E330 A331	K321-V326 HydrophobicContact CB-CG1 3.94Å; K321-V326 HydrophobicContact CB-CG2 3.78Å; K321-V326 HydrophobicContact CD-CG1 3.61Å; K321-V326 HydrophobicContact CG-CG1 4.44Å; S322-V326 WeakPolarHBondContact O-CG2 3.5Å; S322-V326 PolarHBondContact O-N 3.26Å; S322-V326 VanDerWaalsContact O-N 3.08Å; V326-E330 HydrophobicContact CB-CB 4.13Å; V326-E330 HydrophobicContact CG2-CB 4.05Å; V326-A331 HydrophobicContact CG2-CB 4Å
327	G	98.3	Very high	96.9	Very high	25 Å²	25	51.1 Å²	51.1	26%	0.258	26%	0.26	S	S	.	.	H	α-helix	trans	78.2	168.1	-173.3	0	0	0	0	0	113.3	I323 A331	I323-G327 WeakPolarHBondContact O-CA 3.49Å; I323-G327 PolarHBondContact O-N 3.08Å; G327-A331 WeakPolarHBondContact O-CB 3.23Å; G327-A331 PolarHBondContact O-N 3.36Å
328	V	98.2	Very high	96.7	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-42.8	-176.3	177.3	0	0	0	0	111.5	P71 L110 L111 A114 F309 I323 E330 A331 I332	P71-V328 HydrophobicContact CG-CG1 4.14Å; L110-V328 HydrophobicContact CB-CG2 3.88Å; L111-V328 HydrophobicContact CD2-CG1 4.13Å; L111-V328 HydrophobicContact CD2-CG2 3.91Å; L111-V328 HydrophobicContact CG-CG2 4.37Å; A114-V328 HydrophobicContact CB-CB 3.97Å; A114-V328 HydrophobicContact CB-CG1 3.68Å; A114-V328 HydrophobicContact CB-CG2 4.35Å; F309-V328 HydrophobicContact CE2-CG1 4.41Å; F309-V328 HydrophobicContact CZ-CG1 4.44Å; I323-V328 HydrophobicContact CB-CG2 4.06Å; I323-V328 HydrophobicContact CD1-CG2 4.38Å; I323-V328 HydrophobicContact CG2-CG2 4.14Å; V328-E330 VanDerWaalsContact C-N 3.35Å; V328-E330 PolarHBondContact O-N 3.09Å; V328-A331 PolarHBondContact O-N 3.09Å; V328-I332 VanDerWaalsContact O-CB 3.28Å; V328-I332 WeakPolarHBondContact O-CB 3.23Å; V328-I332 VanDerWaalsContact O-CG2 3.28Å; V328-I332 WeakPolarHBondContact O-CG2 3.37Å; V328-I332 PolarHBondContact O-N 3.44Å
329	E	96.5	Very high	96.4	Very high	139 Å²	139	53.7 Å²	53.7	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-58.9	-43.2	-177	-173.7	179.9	176.1	0	0	112.3	K333	E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 WeakPolarHBondContact O-CG 3.48Å
330	E	97.3	Very high	96	Very high	83 Å²	83	59.3 Å²	59.3	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-76.2	-39.7	178.5	-66.8	-51.4	138	0	0	112.7	V326 V328 K333 F334	V326-E330 HydrophobicContact CB-CB 4.13Å; V326-E330 HydrophobicContact CG2-CB 4.05Å; V328-E330 VanDerWaalsContact C-N 3.35Å; V328-E330 PolarHBondContact O-N 3.09Å; E330-K333 IonicContact OE1-NZ 4Å; E330-K333 PolarHBondContact OE1-NZ 3.43Å; E330-K333 IonicContact OE2-NZ 2.76Å; E330-K333 PolarHBondContact OE2-NZ 3.34Å; E330-F334 WeakPolarHBondContact O-CD2 3.08Å
331	A	98	Very high	95.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-39.6	-179.3	0	0	0	0	0	112.2	F309 I323 V326 G327 V328 K333 F334	F309-A331 HydrophobicContact CD2-CB 3.83Å; F309-A331 HydrophobicContact CE2-CB 4.14Å; I323-A331 HydrophobicContact CG2-CB 3.83Å; V326-A331 HydrophobicContact CG2-CB 4Å; G327-A331 WeakPolarHBondContact O-CB 3.23Å; G327-A331 PolarHBondContact O-N 3.36Å; V328-A331 PolarHBondContact O-N 3.09Å; A331-K333 VanDerWaalsContact C-N 3.29Å; A331-K333 PolarHBondContact O-N 2.91Å; A331-F334 PolarHBondContact O-N 2.91Å; A331-F334 VanDerWaalsContact O-N 3.15Å
332	I	97	Very high	95.3	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-25.5	-172.2	-159	165.3	0	0	0	113.2	T69 P71 L301 F309 V328 F334 S335	T69-I332 HydrophobicContact CG2-CD1 3.68Å; T69-I332 HydrophobicContact CG2-CG1 4.05Å; P71-I332 HydrophobicContact CB-CD1 3.86Å; P71-I332 HydrophobicContact CG-CD1 4.33Å; L301-I332 HydrophobicContact CD1-CD1 4.05Å; L301-I332 HydrophobicContact CD2-CD1 4.01Å; L301-I332 HydrophobicContact CD2-CG1 3.96Å; F309-I332 HydrophobicContact CD2-CB 4.1Å; F309-I332 HydrophobicContact CD2-CG1 4.38Å; F309-I332 HydrophobicContact CE1-CG1 4.48Å; F309-I332 HydrophobicContact CE2-CB 3.66Å; F309-I332 HydrophobicContact CE2-CD1 4.38Å; F309-I332 HydrophobicContact CE2-CG1 3.96Å; F309-I332 HydrophobicContact CZ-CB 4.18Å; F309-I332 HydrophobicContact CZ-CD1 4.02Å; F309-I332 HydrophobicContact CZ-CG1 4.01Å; V328-I332 VanDerWaalsContact O-CB 3.28Å; V328-I332 WeakPolarHBondContact O-CB 3.23Å; V328-I332 VanDerWaalsContact O-CG2 3.28Å; V328-I332 WeakPolarHBondContact O-CG2 3.37Å; V328-I332 PolarHBondContact O-N 3.44Å; I332-F334 PolarHBondContact O-N 2.7Å; I332-F334 VanDerWaalsContact O-N 3.09Å; I332-S335 VanDerWaalsContact O-CB 3.22Å; I332-S335 WeakPolarHBondContact O-CB 3.45Å; I332-S335 PolarHBondContact O-N 3.25Å; I332-S335 PolarHBondContact O-OG 3.09Å
333	K	95.3	Very high	94.9	Very high	120 Å²	120	57.3 Å²	57.3	52%	0.522	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.7	172.5	-67.9	169.9	-169	173.8	0	112.3	E329 E330 A331	E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 WeakPolarHBondContact O-CG 3.48Å; E330-K333 IonicContact OE1-NZ 4Å; E330-K333 PolarHBondContact OE1-NZ 3.43Å; E330-K333 IonicContact OE2-NZ 2.76Å; E330-K333 PolarHBondContact OE2-NZ 3.34Å; A331-K333 VanDerWaalsContact C-N 3.29Å; A331-K333 PolarHBondContact O-N 2.91Å
334	F	95.8	Very high	94.4	Very high	132 Å²	132	65.1 Å²	65.1	58%	0.579	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.3	-179.3	-60.1	-83.2	0	0	0	113.8	N311 E330 A331 I332 G336	N311-F334 WeakPolarHBondContact CB-O 3.41Å; N311-F334 PolarHBondContact ND2-O 2.91Å; E330-F334 WeakPolarHBondContact O-CD2 3.08Å; A331-F334 PolarHBondContact O-N 2.91Å; A331-F334 VanDerWaalsContact O-N 3.15Å; I332-F334 PolarHBondContact O-N 2.7Å; I332-F334 VanDerWaalsContact O-N 3.09Å; F334-G336 PolarHBondContact O-N 3.22Å
335	S	94.3	Very high	93.9	Very high	8 Å²	8	65.2 Å²	65.2	6%	0.056	32%	0.317	C	S	.	.	S	Bend	trans	-65.2	-22.4	-176.3	67	0	0	0	0	114.2	N311 I332 F337	N311-S335 VanDerWaalsContact CA-O 3.28Å; N311-S335 WeakPolarHBondContact CA-O 3.34Å; I332-S335 VanDerWaalsContact O-CB 3.22Å; I332-S335 WeakPolarHBondContact O-CB 3.45Å; I332-S335 PolarHBondContact O-N 3.25Å; I332-S335 PolarHBondContact O-OG 3.09Å; S335-F337 PolarHBondContact O-N 3.4Å; S335-F337 WeakPolarHBondContact OG-CB 3.3Å; S335-F337 PolarHBondContact OG-N 2.88Å
336	G	92.8	Very high	93.4	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	30%	0.295	C	S	.	.			trans	67.6	13.4	-174.6	0	0	0	0	0	114.3	N311 R313 F334	N311-G336 WeakPolarHBondContact ND2-CA 3.41Å; N311-G336 PolarHBondContact ND2-N 3.12Å; R313-G336 PolarHBondContact NE-O 3.44Å; R313-G336 PolarHBondContact NH2-O 3.21Å; F334-G336 PolarHBondContact O-N 3.22Å
337	F	93.4	Very high	92.7	Very high	20 Å²	20	57.9 Å²	57.9	9%	0.088	28%	0.283	C	S	.	.			trans	-59.9	135	-177	-177.4	-119.5	0	0	0	112.7	T69 L301 R313 S335 E339 F342	T69-F337 HydrophobicContact CG2-CD1 3.56Å; T69-F337 HydrophobicContact CG2-CE1 4.17Å; T69-F337 HydrophobicContact CG2-CG 4.47Å; L301-F337 HydrophobicContact CD1-CD1 4.38Å; L301-F337 HydrophobicContact CD1-CE1 4.38Å; L301-F337 HydrophobicContact CD1-CG 4.47Å; L301-F337 HydrophobicContact CD1-CZ 4.5Å; L301-F337 HydrophobicContact CD2-CB 3.64Å; L301-F337 HydrophobicContact CD2-CD1 4.31Å; L301-F337 HydrophobicContact CD2-CD2 4.11Å; L301-F337 HydrophobicContact CD2-CG 3.79Å; L301-F337 HydrophobicContact CG-CB 4.22Å; L301-F337 HydrophobicContact CG-CD1 4.19Å; L301-F337 HydrophobicContact CG-CD2 3.73Å; L301-F337 HydrophobicContact CG-CE1 4.45Å; L301-F337 HydrophobicContact CG-CE2 4.03Å; L301-F337 HydrophobicContact CG-CG 3.8Å; L301-F337 HydrophobicContact CG-CZ 4.37Å; R313-F337 PolarHBondContact NH2-O 3.29Å; S335-F337 PolarHBondContact O-N 3.4Å; S335-F337 WeakPolarHBondContact OG-CB 3.3Å; S335-F337 PolarHBondContact OG-N 2.88Å; F337-E339 HydrophobicContact CD1-CB 4.12Å; F337-E339 HydrophobicContact CE1-CB 3.67Å; F337-E339 HydrophobicContact CE1-CG 4.05Å; F337-E339 HydrophobicContact CZ-CB 4.44Å; F337-F342 HydrophobicContact CE2-CB 3.8Å; F337-F342 HydrophobicContact CE2-CD2 4.27Å; F337-F342 HydrophobicContact CE2-CG 4.15Å; F337-F342 HydrophobicContact CZ-CB 3.54Å; F337-F342 HydrophobicContact CZ-CD1 4.16Å; F337-F342 HydrophobicContact CZ-CD2 4.13Å; F337-F342 AromaticContact CZ-CG 3.69Å; F337-F342 HydrophobicContact CZ-CG 3.69Å
338	D	90.4	Very high	92.3	Very high	55 Å²	55	62.7 Å²	62.7	29%	0.294	30%	0.296	S	S	.	.			trans	-107.3	95.7	170.6	-176.9	-15	0	0	0	109.3	D298 K340 M341 F342	D298-D338 HydrophobicContact CB-CB 4.28Å; D298-D338 PolarHBondContact O-N 2.94Å; D338-K340 VanDerWaalsContact C-N 3.31Å; D338-K340 PolarHBondContact O-N 2.95Å; D338-K340 WeakPolarHBondContact OD1-CB 3.34Å; D338-K340 PolarHBondContact OD1-N 3.42Å; D338-K340 VanDerWaalsContact OD1-N 3.07Å; D338-M341 HydrophobicContact CB-CB 3.95Å; D338-M341 VanDerWaalsContact CG-CB 3.43Å; D338-M341 PolarHBondContact O-N 3.02Å; D338-M341 PolarHBondContact OD1-N 2.68Å; D338-M341 WeakPolarHBondContact OD2-CB 3.37Å; D338-F342 PolarHBondContact O-N 2.89Å
339	E	90.6	Very high	92	Very high	79 Å²	79	64.9 Å²	64.9	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-35.6	179.7	-173.2	171.8	-172.3	0	0	112.3	F337 M341 F342 L343	F337-E339 HydrophobicContact CD1-CB 4.12Å; F337-E339 HydrophobicContact CE1-CB 3.67Å; F337-E339 HydrophobicContact CE1-CG 4.05Å; F337-E339 HydrophobicContact CZ-CB 4.44Å; E339-M341 VanDerWaalsContact C-N 3.34Å; E339-M341 PolarHBondContact O-N 3.1Å; E339-F342 WeakPolarHBondContact O-CB 3.44Å; E339-F342 PolarHBondContact O-N 3.29Å; E339-L343 WeakPolarHBondContact O-CG 3.36Å; E339-L343 PolarHBondContact O-N 3.35Å
340	K	89.8	Confident	91.8	Very high	181 Å²	181	61.7 Å²	61.7	79%	0.787	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-43.7	177.1	-67.4	179.5	-179.3	173.6	0	110	D338 L343 K344	D338-K340 VanDerWaalsContact C-N 3.31Å; D338-K340 PolarHBondContact O-N 2.95Å; D338-K340 WeakPolarHBondContact OD1-CB 3.34Å; D338-K340 PolarHBondContact OD1-N 3.42Å; D338-K340 VanDerWaalsContact OD1-N 3.07Å; K340-L343 PolarHBondContact O-N 3.36Å; K340-K344 WeakPolarHBondContact O-CB 3.45Å; K340-K344 PolarHBondContact O-N 3.25Å
341	M	89.8	Confident	91.6	Very high	26 Å²	26	58.7 Å²	58.7	13%	0.128	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-38.2	175.4	-169.9	61.2	71.7	0	0	112.2	K295 D338 E339 L343 K344 R345	K295-M341 HydrophobicContact CB-SD 4.4Å; K295-M341 HydrophobicContact CG-SD 4.21Å; D338-M341 HydrophobicContact CB-CB 3.95Å; D338-M341 VanDerWaalsContact CG-CB 3.43Å; D338-M341 PolarHBondContact O-N 3.02Å; D338-M341 PolarHBondContact OD1-N 2.68Å; D338-M341 WeakPolarHBondContact OD2-CB 3.37Å; E339-M341 VanDerWaalsContact C-N 3.34Å; E339-M341 PolarHBondContact O-N 3.1Å; M341-L343 VanDerWaalsContact C-N 3.32Å; M341-L343 PolarHBondContact O-N 3.28Å; M341-K344 PolarHBondContact O-N 3.03Å; M341-K344 HydrophobicContact SD-CB 4.38Å; M341-K344 HydrophobicContact SD-CD 4.11Å; M341-R345 WeakPolarHBondContact O-CG 3.21Å; M341-R345 PolarHBondContact O-N 3.26Å
342	F	90.7	Very high	91.4	Very high	11 Å²	11	59.2 Å²	59.2	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-55.7	-45	173.3	168.4	-99.9	0	0	0	112	F337 D338 E339 R345 G347 K348	F337-F342 HydrophobicContact CE2-CB 3.8Å; F337-F342 HydrophobicContact CE2-CD2 4.27Å; F337-F342 HydrophobicContact CE2-CG 4.15Å; F337-F342 HydrophobicContact CZ-CB 3.54Å; F337-F342 HydrophobicContact CZ-CD1 4.16Å; F337-F342 HydrophobicContact CZ-CD2 4.13Å; F337-F342 AromaticContact CZ-CG 3.69Å; F337-F342 HydrophobicContact CZ-CG 3.69Å; D338-F342 PolarHBondContact O-N 2.89Å; E339-F342 WeakPolarHBondContact O-CB 3.44Å; E339-F342 PolarHBondContact O-N 3.29Å; F342-R345 WeakPolarHBondContact O-CG 3.14Å; F342-G347 WeakPolarHBondContact CZ-O 3.15Å; F342-G347 VanDerWaalsContact O-CA 3.28Å; F342-G347 WeakPolarHBondContact O-CA 3.4Å; F342-G347 PolarHBondContact O-N 3.39Å; F342-K348 HydrophobicContact CE1-CB 4.48Å
343	L	90.2	Very high	91.1	Very high	96 Å²	96	60.1 Å²	60.1	50%	0.503	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-46.3	175.3	-64.9	175.1	0	0	0	111.5	E339 K340 M341 R345 G346 K348	E339-L343 WeakPolarHBondContact O-CG 3.36Å; E339-L343 PolarHBondContact O-N 3.35Å; K340-L343 PolarHBondContact O-N 3.36Å; M341-L343 VanDerWaalsContact C-N 3.32Å; M341-L343 PolarHBondContact O-N 3.28Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 3.47Å; L343-G346 PolarHBondContact O-N 3.27Å; L343-K348 HydrophobicContact CD2-CB 4.3Å
344	K	88.4	Confident	90.8	Very high	164 Å²	164	58.5 Å²	58.5	71%	0.713	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-35.3	-179.3	-173.6	177.3	-180	179.3	0	113.3	K340 M341 G346	K340-K344 WeakPolarHBondContact O-CB 3.45Å; K340-K344 PolarHBondContact O-N 3.25Å; M341-K344 PolarHBondContact O-N 3.03Å; M341-K344 HydrophobicContact SD-CB 4.38Å; M341-K344 HydrophobicContact SD-CD 4.11Å; K344-G346 VanDerWaalsContact C-N 3.26Å; K344-G346 PolarHBondContact O-N 3.43Å
345	R	88.9	Confident	90.6	Very high	21 Å²	21	57.6 Å²	57.6	8%	0.079	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	8.4	177.4	74.7	177.4	179.5	89.9	-2.3	114.4	E291 S299 Y300 M341 F342 L343	E291-R345 IonicContact OE1-CZ 2.81Å; E291-R345 IonicContact OE1-NH1 3.52Å; E291-R345 PolarHBondContact OE1-NH1 3.23Å; E291-R345 IonicContact OE2-NH1 3.65Å; S299-R345 VanDerWaalsContact CB-NE 3.35Å; S299-R345 PolarHBondContact O-NE 2.8Å; S299-R345 PolarHBondContact O-NH2 3.27Å; S299-R345 WeakPolarHBondContact OG-CD 3.41Å; S299-R345 PolarHBondContact OG-NE 2.82Å; Y300-R345 VanDerWaalsContact CD1-NH2 3.3Å; Y300-R345 VanDerWaalsContact CE2-CZ 3.45Å; Y300-R345 PolarHBondContact OH-NH1 3.24Å; M341-R345 WeakPolarHBondContact O-CG 3.21Å; M341-R345 PolarHBondContact O-N 3.26Å; F342-R345 WeakPolarHBondContact O-CG 3.14Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 3.47Å
346	G	87.8	Confident	90.3	Very high	25 Å²	25	59.1 Å²	59.1	26%	0.258	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	41.3	-176.7	0	0	0	0	0	112.5	R243 L343 K344 K348	R243-G346 PolarHBondContact NH2-O 3.14Å; L343-G346 PolarHBondContact O-N 3.27Å; K344-G346 VanDerWaalsContact C-N 3.26Å; K344-G346 PolarHBondContact O-N 3.43Å; G346-K348 VanDerWaalsContact C-N 3.29Å
347	G	84.2	Confident	89.7	Confident	4 Å²	4	68.9 Å²	68.9	4%	0.041	35%	0.345	C	S	.	.			trans	-67.1	-29.8	175.7	0	0	0	0	0	113	F342 W351	F342-G347 WeakPolarHBondContact CZ-O 3.15Å; F342-G347 VanDerWaalsContact O-CA 3.28Å; F342-G347 WeakPolarHBondContact O-CA 3.4Å; F342-G347 PolarHBondContact O-N 3.39Å; G347-W351 WeakPolarHBondContact O-CZ3 3.42Å
348	K	89.1	Confident	89	Confident	125 Å²	125	69.8 Å²	69.8	54%	0.543	35%	0.351	S	S	.	.	S	Bend	trans	-96.3	120.2	168.8	-165	163	-172.2	165.6	0	110	F342 L343 G346 W351	F342-K348 HydrophobicContact CE1-CB 4.48Å; L343-K348 HydrophobicContact CD2-CB 4.3Å; G346-K348 VanDerWaalsContact C-N 3.29Å; K348-W351 HydrophobicContact CB-CH2 4.49Å; K348-W351 HydrophobicContact CB-CZ3 4.23Å; K348-W351 HydrophobicContact CD-CH2 4.44Å; K348-W351 HydrophobicContact CG-CH2 3.88Å; K348-W351 HydrophobicContact CG-CZ3 4.02Å
349	Y	91.5	Very high	87.9	Confident	58 Å²	58	72.2 Å²	72.2	23%	0.227	36%	0.364	C	S	.	.	S	Bend	trans	-156.3	170.7	-178.9	65.9	-78.7	0	0	0	108.6	I174 W351	I174-Y349 HydrophobicContact CD1-CE2 4.18Å; Y349-W351 HydrophobicContact CD1-CE3 4.24Å; Y349-W351 HydrophobicContact CD2-CB 4.29Å; Y349-W351 HydrophobicContact CE1-CB 4.36Å; Y349-W351 HydrophobicContact CE1-CE3 4.28Å; Y349-W351 HydrophobicContact CE2-CB 3.88Å; Y349-W351 VanDerWaalsContact O-CD2 3.3Å; Y349-W351 PolarHBondContact O-N 3.47Å
350	T	92.5	Very high	86.4	Confident	72 Å²	72	72.6 Å²	72.6	44%	0.442	36%	0.362	S	S	.	.			trans	-62.5	103.5	172.1	-50.7	0	0	0	0	109.9	D355 L356	T350-D355 HydrophobicContact CG2-CB 3.45Å; T350-D355 VanDerWaalsContact CG2-CB 3.45Å; T350-D355 WeakPolarHBondContact CG2-O 3.48Å; T350-L356 HydrophobicContact CG2-CD2 3.88Å; T350-L356 HydrophobicContact CG2-CG 4.1Å; T350-L356 WeakPolarHBondContact O-CD2 3.44Å
351	W	93.5	Very high	86.2	Confident	19 Å²	19	67.2 Å²	67.2	7%	0.072	34%	0.34	C	S	.	.			trans	-118.1	-3.5	-169.3	53	36.4	0	0	0	114.4	T72 E117 K118 S150 I174 G347 K348 Y349	T72-W351 HydrophobicContact CG2-CH2 3.9Å; T72-W351 HydrophobicContact CG2-CZ2 4.4Å; E117-W351 HydrophobicContact CB-CZ2 4.27Å; E117-W351 WeakPolarHBondContact OE2-CZ2 3.49Å; K118-W351 HydrophobicContact CB-CD2 4.4Å; K118-W351 HydrophobicContact CD-CB 4.03Å; K118-W351 HydrophobicContact CD-CD2 3.76Å; K118-W351 HydrophobicContact CD-CE3 3.61Å; K118-W351 HydrophobicContact CD-CG 3.96Å; K118-W351 HydrophobicContact CD-CZ3 4.27Å; S150-W351 VanDerWaalsContact CB-O 3.27Å; S150-W351 WeakPolarHBondContact CB-O 3.34Å; S150-W351 PolarHBondContact OG-O 3.3Å; I174-W351 HydrophobicContact CD1-CB 4.38Å; I174-W351 WeakPolarHBondContact CD1-O 3.5Å; G347-W351 WeakPolarHBondContact O-CZ3 3.42Å; K348-W351 HydrophobicContact CB-CH2 4.49Å; K348-W351 HydrophobicContact CB-CZ3 4.23Å; K348-W351 HydrophobicContact CD-CH2 4.44Å; K348-W351 HydrophobicContact CG-CH2 3.88Å; K348-W351 HydrophobicContact CG-CZ3 4.02Å; Y349-W351 HydrophobicContact CD1-CE3 4.24Å; Y349-W351 HydrophobicContact CD2-CB 4.29Å; Y349-W351 HydrophobicContact CE1-CB 4.36Å; Y349-W351 HydrophobicContact CE1-CE3 4.28Å; Y349-W351 HydrophobicContact CE2-CB 3.88Å; Y349-W351 VanDerWaalsContact O-CD2 3.3Å; Y349-W351 PolarHBondContact O-N 3.47Å
352	S	93.7	Very high	86	Confident	13 Å²	13	69.3 Å²	69.3	9%	0.091	35%	0.352	C	S	.	.	S	Bend	trans	-90.1	131.8	171.5	164	0	0	0	0	107.4	P149 A354 D355 L356	P149-S352 WeakPolarHBondContact O-CB 3.48Å; S352-A354 PolarHBondContact O-N 3.45Å; S352-A354 PolarHBondContact OG-N 3.35Å; S352-D355 WeakPolarHBondContact CB-OD2 3.39Å; S352-D355 PolarHBondContact O-N 3.39Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 3.33Å; S352-L356 WeakPolarHBondContact O-CG 3.38Å; S352-L356 PolarHBondContact O-N 3.27Å
353	K	90.4	Very high	85.7	Confident	28 Å²	28	72.6 Å²	72.6	12%	0.122	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	180	71.5	173.2	167.6	-169.9	0	112.8	G169 E170 L172 D173 R214 D355 L356 W360	G169-K353 PolarHBondContact O-NZ 3.47Å; E170-K353 WeakPolarHBondContact O-CE 3.32Å; E170-K353 PolarHBondContact O-NZ 3.5Å; L172-K353 WeakPolarHBondContact O-CD 3.47Å; L172-K353 WeakPolarHBondContact O-CE 3.38Å; L172-K353 PolarHBondContact O-NZ 3.48Å; D173-K353 HydrophobicContact CB-CB 4.23Å; D173-K353 HydrophobicContact CB-CG 4.44Å; D173-K353 WeakPolarHBondContact OD1-CG 3.45Å; D173-K353 PolarHBondContact OD1-N 2.81Å; R214-K353 WeakPolarHBondContact O-CD 3.41Å; R214-K353 PolarHBondContact O-NZ 3.21Å; R214-K353 VanDerWaalsContact O-NZ 3.09Å; K353-D355 PolarHBondContact O-N 2.86Å; K353-L356 PolarHBondContact O-N 3.26Å; K353-W360 HydrophobicContact CB-CZ2 4.16Å; K353-W360 HydrophobicContact CD-CZ2 4.2Å; K353-W360 HydrophobicContact CG-CZ2 4.41Å
354	A	90.1	Very high	85.5	Confident	87 Å²	87	71.2 Å²	71.2	72%	0.719	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.1	177	0	0	0	0	0	112.6	S352	S352-A354 PolarHBondContact O-N 3.45Å; S352-A354 PolarHBondContact OG-N 3.35Å
355	D	91.3	Very high	85.3	Confident	113 Å²	113	65.4 Å²	65.4	60%	0.604	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.8	-176.8	-56.4	-49	0	0	0	112.5	T350 S352 K353	T350-D355 HydrophobicContact CG2-CB 3.45Å; T350-D355 VanDerWaalsContact CG2-CB 3.45Å; T350-D355 WeakPolarHBondContact CG2-O 3.48Å; S352-D355 WeakPolarHBondContact CB-OD2 3.39Å; S352-D355 PolarHBondContact O-N 3.39Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 3.33Å; K353-D355 PolarHBondContact O-N 2.86Å
356	L	87.6	Confident	85	Confident	39 Å²	39	68.3 Å²	68.3	20%	0.204	36%	0.356	C	S	.	.	S	Bend	trans	-84.9	137.8	179	-73.9	172.3	0	0	0	110.4	A216 T350 S352 K353 L358	A216-L356 HydrophobicContact CB-CD1 3.86Å; T350-L356 HydrophobicContact CG2-CD2 3.88Å; T350-L356 HydrophobicContact CG2-CG 4.1Å; T350-L356 WeakPolarHBondContact O-CD2 3.44Å; S352-L356 WeakPolarHBondContact O-CG 3.38Å; S352-L356 PolarHBondContact O-N 3.27Å; K353-L356 PolarHBondContact O-N 3.26Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 HydrophobicContact CB-CD1 3.43Å; L356-L358 VanDerWaalsContact CB-CD1 3.43Å; L356-L358 HydrophobicContact CB-CD2 3.82Å; L356-L358 HydrophobicContact CB-CG 3.44Å; L356-L358 VanDerWaalsContact CB-CG 3.44Å; L356-L358 HydrophobicContact CD1-CD1 3.77Å; L356-L358 HydrophobicContact CD1-CD2 4.48Å; L356-L358 HydrophobicContact CG-CD1 4.23Å; L356-L358 PolarHBondContact O-N 3.31Å
357	K	79.6	Confident	84.9	Confident	211 Å²	211	71.4 Å²	71.4	92%	0.917	36%	0.363	S	S	*	.			trans	-80.2	84.5	171.1	-66.6	-175.7	-178.9	-178.5	0	108.9
358	L	79.6	Confident	84.9	Confident	38 Å²	38	76.6 Å²	76.6	20%	0.199	39%	0.388	C	S	.	.			trans	-105.3	131.2	-175.8	-54.9	179.6	0	0	0	109.3	A216 V242 L356 W360	A216-L358 HydrophobicContact CB-CD1 3.5Å; A216-L358 VanDerWaalsContact CB-CD1 3.5Å; V242-L358 HydrophobicContact CB-CD2 4.11Å; V242-L358 HydrophobicContact CG1-CD1 4.24Å; V242-L358 HydrophobicContact CG1-CD2 3.18Å; V242-L358 HydrophobicContact CG1-CG 4.38Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 HydrophobicContact CB-CD1 3.43Å; L356-L358 VanDerWaalsContact CB-CD1 3.43Å; L356-L358 HydrophobicContact CB-CD2 3.82Å; L356-L358 HydrophobicContact CB-CG 3.44Å; L356-L358 VanDerWaalsContact CB-CG 3.44Å; L356-L358 HydrophobicContact CD1-CD1 3.77Å; L356-L358 HydrophobicContact CD1-CD2 4.48Å; L356-L358 HydrophobicContact CG-CD1 4.23Å; L356-L358 PolarHBondContact O-N 3.31Å; L358-W360 HydrophobicContact CB-CD2 3.9Å; L358-W360 HydrophobicContact CB-CG 3.71Å; L358-W360 HydrophobicContact CB-CZ2 4.3Å; L358-W360 VanDerWaalsContact CB-NE1 3.31Å; L358-W360 HydrophobicContact CD1-CZ2 3.98Å
359	D	66.9	Low	84.6	Confident	107 Å²	107	72.6 Å²	72.6	57%	0.572	38%	0.375	S	S	*	.			trans	-81.3	4.3	171.3	58.4	-28.4	0	0	0	111.5	R207 N240	R207-D359 IonicContact NH2-OD1 2.76Å; N240-D359 PolarHBondContact ND2-OD1 3.03Å; N240-D359 PolarHBondContact ND2-OD2 3.4Å
360	W	58.1	Low	83.9	Confident	86 Å²	86	73.9 Å²	73.9	33%	0.326	39%	0.388	S	S	.	.			trans	-62.9	0	170.2	53.2	-123.2	0	0	0	112.6	R211 R214 K353 L358	R211-W360 HydrophobicContact CB-CB 4.37Å; R211-W360 HydrophobicContact CG-CB 4.16Å; R211-W360 WeakPolarHBondContact CG-OXT 3.44Å; R214-W360 VanDerWaalsContact CA-CE3 3.47Å; R214-W360 HydrophobicContact CB-CD2 4.07Å; R214-W360 HydrophobicContact CB-CE3 3.42Å; R214-W360 VanDerWaalsContact CB-CE3 3.42Å; R214-W360 HydrophobicContact CB-CH2 3.72Å; R214-W360 HydrophobicContact CB-CZ2 4.25Å; R214-W360 HydrophobicContact CB-CZ3 3.26Å; R214-W360 HydrophobicContact CG-CD2 4.4Å; R214-W360 HydrophobicContact CG-CE3 3.4Å; R214-W360 VanDerWaalsContact CG-CE3 3.4Å; R214-W360 HydrophobicContact CG-CH2 4.3Å; R214-W360 HydrophobicContact CG-CZ3 3.37Å; K353-W360 HydrophobicContact CB-CZ2 4.16Å; K353-W360 HydrophobicContact CD-CZ2 4.2Å; K353-W360 HydrophobicContact CG-CZ2 4.41Å; L358-W360 HydrophobicContact CB-CD2 3.9Å; L358-W360 HydrophobicContact CB-CG 3.71Å; L358-W360 HydrophobicContact CB-CZ2 4.3Å; L358-W360 VanDerWaalsContact CB-NE1 3.31Å; L358-W360 HydrophobicContact CD1-CZ2 3.98Å

Retrieved 360 of 360 residues in 121.9 ms (Link to these results)

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