A0A077Z5G2_TRITR Loading...

CarboxypepD reg and Peptidase M14 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077Z5G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 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	36.6	Very low	35.8	Very low	250 Å²	250	153.5 Å²	153.5	100%	1.232	82%	0.818	S	S	*	*				0	101.5	0	-82.1	174.7	-170.4	0	0	107.1
2	V	28.9	Very low	35.7	Very low	128 Å²	128	146.8 Å²	146.8	78%	0.776	81%	0.811	S	S	*	*			trans	-103.4	126.8	173.6	171.2	0	0	0	0	105.4
3	V	38.5	Very low	35.6	Very low	132 Å²	132	154.1 Å²	154.1	80%	0.8	82%	0.819	S	S	*	*			trans	-144.5	97.9	153.2	-173.5	0	0	0	0	107.5	F5	V3-F5 HydrophobicContact CG1-CD2 3.99Å; V3-F5 HydrophobicContact CG1-CE2 4.45Å
4	N	28.9	Very low	35.3	Very low	128 Å²	128	153.2 Å²	153.2	68%	0.684	82%	0.823	S	S	*	*			trans	-70.4	141.2	154.2	-77.6	-28.4	0	0	0	108
5	F	41.2	Very low	35.1	Very low	205 Å²	205	152.9 Å²	152.9	90%	0.899	82%	0.82	S	S	*	*			trans	-143.9	141	141.4	-97.4	-77.2	0	0	0	110.1	V3	V3-F5 HydrophobicContact CG1-CD2 3.99Å; V3-F5 HydrophobicContact CG1-CE2 4.45Å
6	I	35.8	Very low	34.8	Very low	128 Å²	128	152.9 Å²	152.9	66%	0.656	82%	0.819	S	S	*	*			trans	-106.1	153.3	-161.7	-77	169.7	0	0	0	109
7	D	34.8	Very low	34.9	Very low	138 Å²	138	152.9 Å²	152.9	74%	0.738	82%	0.817	S	S	*	*			trans	50.4	125.7	156.4	-62.8	-24.6	0	0	0	121
8	T	37.3	Very low	34.8	Very low	132 Å²	132	150.1 Å²	150.1	81%	0.81	81%	0.806	S	S	*	*				172.6	117.2	95.7	32.1	0	0	0	0	111.4
9	E	37.5	Very low	34.8	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	81%	0.806	S	S	*	*			trans	40	125.4	134.8	-74.8	-171.8	168.9	0	0	124.4
10	L	38	Very low	35	Very low	156 Å²	156	147.8 Å²	147.8	82%	0.817	81%	0.805	S	S	*	*			trans	93.9	144.1	135.9	-67.7	165.9	0	0	0	120.5
11	P	36	Very low	35.2	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	80%	0.803	S	S	*	*			trans	-118.8	168	-137.9	38.6	-23.6	0	0	0	114.4
12	G	35.4	Very low	35.2	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	78%	0.781	S	S	*	*			trans	107.2	90.6	159.6	0	0	0	0	0	114.9
13	R	34.2	Very low	35.7	Very low	242 Å²	242	141.3 Å²	141.3	91%	0.913	78%	0.782	S	S	*	*			trans	-172.7	118.3	141.4	-104.5	165.4	-171.3	-148.7	2.3	110	L15	R13-L15 PolarHBondContact O-N 3.3Å
14	T	30.9	Very low	35.8	Very low	142 Å²	142	143.9 Å²	143.9	87%	0.871	78%	0.779	S	S	*	*			trans	-47.3	120.9	165.8	-45.2	0	0	0	0	110.4
15	L	32.8	Very low	36.1	Very low	148 Å²	148	148 Å²	148	78%	0.775	79%	0.785	S	S	*	*			trans	-124.2	108.9	168.2	-136.3	113.8	0	0	0	109.2	R13 I17	R13-L15 PolarHBondContact O-N 3.3Å; L15-I17 PolarHBondContact O-N 2.8Å
16	L	30.6	Very low	36	Very low	153 Å²	153	145.5 Å²	145.5	80%	0.801	79%	0.787	S	S	*	*			trans	-60.3	119.2	163.9	-91.3	129.2	0	0	0	109
17	I	35.3	Very low	36	Very low	154 Å²	154	143.1 Å²	143.1	79%	0.79	78%	0.782	S	S	*	*			trans	-95.4	104.6	168.7	-60.6	179.3	0	0	0	108.1	L15	L15-I17 PolarHBondContact O-N 2.8Å
18	V	33.6	Very low	36	Very low	101 Å²	101	146 Å²	146	61%	0.612	78%	0.782	S	S	*	*			trans	-83.1	124.4	165.5	177.6	0	0	0	0	107.7	T20	V18-T20 HydrophobicContact CG1-CG2 4.34Å; V18-T20 PolarHBondContact O-N 2.78Å; V18-T20 VanDerWaalsContact O-N 3.14Å
19	P	35.9	Very low	35.9	Very low	126 Å²	126	149.5 Å²	149.5	82%	0.818	78%	0.781	S	S	*	*			trans	-78.4	101.6	173.7	30.3	-29.7	0	0	0	108.9
20	T	38.2	Very low	35.8	Very low	128 Å²	128	149.6 Å²	149.6	79%	0.785	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87.5	122.6	167.8	43.4	0	0	0	0	109.5	V18	V18-T20 HydrophobicContact CG1-CG2 4.34Å; V18-T20 PolarHBondContact O-N 2.78Å; V18-T20 VanDerWaalsContact O-N 3.14Å
21	A	39.2	Very low	35.7	Very low	93 Å²	93	152.9 Å²	152.9	77%	0.769	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67	141	-177.5	0	0	0	0	0	112.4
22	F	36.2	Very low	35.6	Very low	175 Å²	175	154.1 Å²	154.1	77%	0.768	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-51.1	127.1	163.5	-92.8	-93.5	0	0	0	112	Y24	F22-Y24 AromaticContact CD1-CD2 3.62Å; F22-Y24 HydrophobicContact CD1-CD2 3.62Å; F22-Y24 AromaticContact CD1-CE2 3.46Å; F22-Y24 HydrophobicContact CD1-CE2 3.46Å; F22-Y24 VanDerWaalsContact CD1-CE2 3.46Å; F22-Y24 HydrophobicContact CE1-CD2 4.25Å; F22-Y24 AromaticContact CE1-CE2 3.63Å; F22-Y24 HydrophobicContact CE1-CE2 3.63Å
23	P	40.3	Very low	35.7	Very low	123 Å²	123	158.7 Å²	158.7	80%	0.799	80%	0.795	S	S	*	*			trans	-98.6	103.5	161.3	33	-21.4	0	0	0	108.6
24	Y	40.1	Very low	35.5	Very low	185 Å²	185	150.5 Å²	150.5	73%	0.725	79%	0.786	S	S	*	*			trans	-113.5	128.1	164.3	-94.5	-64.6	0	0	0	108	F22	F22-Y24 AromaticContact CD1-CD2 3.62Å; F22-Y24 HydrophobicContact CD1-CD2 3.62Å; F22-Y24 AromaticContact CD1-CE2 3.46Å; F22-Y24 HydrophobicContact CD1-CE2 3.46Å; F22-Y24 VanDerWaalsContact CD1-CE2 3.46Å; F22-Y24 HydrophobicContact CE1-CD2 4.25Å; F22-Y24 AromaticContact CE1-CE2 3.63Å; F22-Y24 HydrophobicContact CE1-CE2 3.63Å
25	W	34.7	Very low	35.5	Very low	216 Å²	216	150.1 Å²	150.1	82%	0.818	79%	0.787	S	S	*	*			trans	85.9	71.3	163.5	-70.2	55.9	0	0	0	117.8
26	T	38.4	Very low	35.5	Very low	152 Å²	152	150.9 Å²	150.9	93%	0.933	79%	0.792	S	S	*	*			trans	-82	95	140.6	40	0	0	0	0	109.5
27	S	36	Very low	35.7	Very low	78 Å²	78	148.6 Å²	148.6	55%	0.545	79%	0.788	S	S	.	*			trans	-142.1	16.9	163.5	74.1	0	0	0	0	114
28	W	35	Very low	35.7	Very low	199 Å²	199	150 Å²	150	75%	0.754	79%	0.791	S	S	*	*	S	Bend	trans	-130.2	73.3	-179.3	-111.4	69	0	0	0	110.4	L49	W28-L49 HydrophobicContact CE3-CD2 4.04Å; W28-L49 HydrophobicContact CH2-CD1 4.48Å; W28-L49 HydrophobicContact CZ3-CD1 4.24Å; W28-L49 HydrophobicContact CZ3-CD2 3.79Å
29	W	34.7	Very low	35.7	Very low	205 Å²	205	150.2 Å²	150.2	78%	0.777	80%	0.798	S	S	*	*			trans	-158	6.7	155	-146.4	-112.4	0	0	0	115.3	R31	W29-R31 PolarHBondContact O-N 3.38Å; W29-R31 VanDerWaalsContact O-N 3.11Å
30	N	36.1	Very low	35.5	Very low	174 Å²	174	151.6 Å²	151.6	93%	0.93	80%	0.798	S	S	*	*	S	Bend	trans	-80.6	24.4	174.9	-86.1	-11.9	0	0	0	114.7
31	R	35.3	Very low	35.3	Very low	224 Å²	224	154.9 Å²	154.9	85%	0.845	80%	0.802	S	S	*	*	S	Bend	trans	-147.3	97	170.9	-69.4	-176	-159.2	-142	1.1	108.2	W29	W29-R31 PolarHBondContact O-N 3.38Å; W29-R31 VanDerWaalsContact O-N 3.11Å
32	L	35.6	Very low	34.9	Very low	146 Å²	146	161.8 Å²	161.8	76%	0.764	81%	0.808	S	S	*	*	S	Bend	trans	169.6	14.2	142.1	-90.4	158.9	0	0	0	116
33	N	35.7	Very low	34.9	Very low	168 Å²	168	163.5 Å²	163.5	90%	0.898	81%	0.81	S	S	*	*	S	Bend	trans	-112.5	89.7	161.8	-81.4	-24.3	0	0	0	109.7
34	G	31	Very low	34.8	Very low	70 Å²	70	163 Å²	163	72%	0.722	81%	0.809	S	S	*	*			trans	164	62.2	178.1	0	0	0	0	0	112.9
35	C	30	Very low	35	Very low	134 Å²	134	159 Å²	159	91%	0.905	80%	0.8	S	S	*	*			trans	-167	103.1	144.8	-97.1	0	0	0	0	108.4
36	L	32.6	Very low	35.3	Very low	165 Å²	165	153.7 Å²	153.7	86%	0.864	80%	0.795	S	S	*	*			trans	-66.1	157.7	161.6	-75.3	154.1	0	0	0	109.6
37	S	35	Very low	35.6	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	78%	0.781	S	S	*	*	S	Bend	trans	65	118	161.7	74.1	0	0	0	0	119.1
38	E	35.3	Very low	35.9	Very low	183 Å²	183	154.4 Å²	154.4	86%	0.855	79%	0.787	S	S	*	*			trans	72.4	123.4	136.6	-66.9	-178.2	168.6	0	0	120.4
39	S	35.2	Very low	36.4	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	78%	0.775	S	S	*	*			trans	83.3	100.9	153.6	73.2	0	0	0	0	118.8
40	N	31.9	Very low	36.8	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	77%	0.773	S	S	*	*			trans	57	95.8	138.4	-61.5	-26	0	0	0	119
41	F	33	Very low	37.4	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.864	76%	0.755	S	S	*	*				-170.5	134.3	125.9	-128.2	-106.7	0	0	0	112.9
42	R	29.9	Very low	38.1	Very low	238 Å²	238	137.8 Å²	137.8	90%	0.898	74%	0.743	S	S	*	*			trans	-54.5	132.2	175.4	-84.9	160.7	112.5	-169.8	2.3	112.8
43	W	36.5	Very low	38.9	Very low	212 Å²	212	135.2 Å²	135.2	80%	0.803	73%	0.733	S	S	*	*			trans	-136.6	113.8	156.9	-84	89.3	0	0	0	111.4	N45	W43-N45 VanDerWaalsContact C-N 3.3Å; W43-N45 HydrophobicContact CE3-CB 4.34Å; W43-N45 PolarHBondContact O-N 3.24Å
44	S	39.3	Very low	39.7	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	71%	0.709	S	S	*	*			trans	-84.6	19.8	-178.4	-177.7	0	0	0	0	113.9
45	N	44.3	Very low	41	Very low	101 Å²	101	128.5 Å²	128.5	54%	0.54	69%	0.691	S	S	.	*			trans	-115.4	5.9	-161.4	-74.5	-11.9	0	0	0	116.9	W43	W43-N45 VanDerWaalsContact C-N 3.3Å; W43-N45 HydrophobicContact CE3-CB 4.34Å; W43-N45 PolarHBondContact O-N 3.24Å
46	C	41.1	Very low	42.5	Very low	105 Å²	105	131.6 Å²	131.6	71%	0.709	68%	0.683	S	S	*	*	S	Bend	trans	-88.9	-16	179.1	-78.5	0	0	0	0	115.2	F48	C46-F48 VanDerWaalsContact C-N 3.28Å; C46-F48 PolarHBondContact O-N 2.77Å
47	S	43.2	Very low	43.9	Very low	93 Å²	93	127.6 Å²	127.6	65%	0.65	67%	0.666	S	S	*	*	H	α-helix	trans	-72.3	-19.9	178.5	-54.3	0	0	0	0	113.6	V51	S47-V51 WeakPolarHBondContact O-CG2 3.3Å
48	F	43.8	Very low	45.3	Very low	152 Å²	152	127.9 Å²	127.9	67%	0.667	66%	0.659	S	S	*	*	H	α-helix	trans	-76.3	-29.4	-177.1	-103.6	-90.7	0	0	0	114	C46 H52	C46-F48 VanDerWaalsContact C-N 3.28Å; C46-F48 PolarHBondContact O-N 2.77Å; F48-H52 PolarHBondContact O-N 3.24Å
49	L	44.4	Very low	47	Very low	94 Å²	94	127.9 Å²	127.9	49%	0.492	65%	0.651	S	S	.	*	H	α-helix	trans	-76.4	-36.8	-176.1	-117.7	95.7	0	0	0	113.1	W28 V51 H52 V53	W28-L49 HydrophobicContact CE3-CD2 4.04Å; W28-L49 HydrophobicContact CH2-CD1 4.48Å; W28-L49 HydrophobicContact CZ3-CD1 4.24Å; W28-L49 HydrophobicContact CZ3-CD2 3.79Å; L49-V51 VanDerWaalsContact C-N 3.32Å; L49-V51 PolarHBondContact O-N 3.06Å; L49-H52 PolarHBondContact O-N 3.01Å; L49-V53 PolarHBondContact O-N 3.12Å
50	L	43.6	Very low	48.8	Very low	140 Å²	140	126.2 Å²	126.2	73%	0.733	64%	0.639	S	S	*	*	H	α-helix	trans	-66.3	-35.3	176.3	-91.6	162.1	0	0	0	111.9	H52 A54	L50-H52 VanDerWaalsContact C-N 3.33Å; L50-H52 PolarHBondContact O-N 3.11Å; L50-A54 WeakPolarHBondContact O-CB 3.49Å; L50-A54 PolarHBondContact O-N 2.84Å; L50-A54 VanDerWaalsContact O-N 3.12Å
51	V	48.3	Very low	50.9	Low	94 Å²	94	122.9 Å²	122.9	57%	0.57	62%	0.624	S	S	*	*	H	α-helix	trans	-67.8	-33.8	176.8	177.6	0	0	0	0	111.4	S47 L49 S55	S47-V51 WeakPolarHBondContact O-CG2 3.3Å; L49-V51 VanDerWaalsContact C-N 3.32Å; L49-V51 PolarHBondContact O-N 3.06Å; V51-S55 VanDerWaalsContact O-CB 3.22Å; V51-S55 WeakPolarHBondContact O-CB 3.33Å; V51-S55 PolarHBondContact O-N 2.82Å
52	H	49.4	Very low	53	Low	125 Å²	125	119 Å²	119	58%	0.579	61%	0.61	S	S	*	*	H	α-helix	trans	-75.2	-34.8	177.8	-90.3	23.8	0	0	0	114.3	F48 L49 L50 S55 R56	F48-H52 PolarHBondContact O-N 3.24Å; L49-H52 PolarHBondContact O-N 3.01Å; L50-H52 VanDerWaalsContact C-N 3.33Å; L50-H52 PolarHBondContact O-N 3.11Å; H52-S55 PolarHBondContact O-N 3.41Å; H52-R56 PolarHBondContact O-N 2.86Å; H52-R56 VanDerWaalsContact O-N 3.1Å
53	V	52.9	Low	55.4	Low	92 Å²	92	112 Å²	112	56%	0.558	59%	0.594	S	S	*	*	H	α-helix	trans	-73.3	-39.2	175.9	179.3	0	0	0	0	111.2	L49 S55 R56 T57	L49-V53 PolarHBondContact O-N 3.12Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.42Å; V53-R56 PolarHBondContact O-N 2.83Å; V53-T57 PolarHBondContact O-N 2.71Å; V53-T57 VanDerWaalsContact O-N 3.12Å; V53-T57 PolarHBondContact O-OG1 2.95Å
54	A	52	Low	57.6	Low	47 Å²	47	107.4 Å²	107.4	39%	0.388	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-38.7	171.4	0	0	0	0	0	111.8	L50 T57 L58	L50-A54 WeakPolarHBondContact O-CB 3.49Å; L50-A54 PolarHBondContact O-N 2.84Å; L50-A54 VanDerWaalsContact O-N 3.12Å; A54-T57 WeakPolarHBondContact CA-OG1 3.43Å; A54-T57 PolarHBondContact O-OG1 2.88Å; A54-T57 VanDerWaalsContact O-OG1 3.06Å; A54-L58 WeakPolarHBondContact O-CB 3.44Å; A54-L58 VanDerWaalsContact O-CD1 3.27Å; A54-L58 WeakPolarHBondContact O-CD1 3.32Å; A54-L58 PolarHBondContact O-N 2.87Å
55	S	58.9	Low	59.6	Low	50 Å²	50	107.3 Å²	107.3	35%	0.35	57%	0.574	S	S	.	*	H	α-helix	trans	-63.2	-42.1	175.9	173.2	0	0	0	0	113.3	V51 H52 V53 R59	V51-S55 VanDerWaalsContact O-CB 3.22Å; V51-S55 WeakPolarHBondContact O-CB 3.33Å; V51-S55 PolarHBondContact O-N 2.82Å; H52-S55 PolarHBondContact O-N 3.41Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.42Å; S55-R59 WeakPolarHBondContact O-CG 3.28Å; S55-R59 PolarHBondContact O-N 3.46Å; S55-R59 VanDerWaalsContact O-N 3.1Å
56	R	60.9	Low	61.3	Low	199 Å²	199	110.9 Å²	110.9	75%	0.751	58%	0.58	S	S	*	*	H	α-helix	trans	-70.1	-41.5	179.4	-80.3	-173.6	166	-165.3	-3.5	112.7	H52 V53 R59 S60	H52-R56 PolarHBondContact O-N 2.86Å; H52-R56 VanDerWaalsContact O-N 3.1Å; V53-R56 PolarHBondContact O-N 2.83Å; R56-R59 PolarHBondContact O-N 3.29Å; R56-S60 PolarHBondContact O-N 3.33Å; R56-S60 PolarHBondContact O-OG 3.26Å
57	T	62.1	Low	63.1	Low	80 Å²	80	109.2 Å²	109.2	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-66.6	-40.6	177	46.3	0	0	0	0	111.9	V53 A54 R59 S60 V61	V53-T57 PolarHBondContact O-N 2.71Å; V53-T57 VanDerWaalsContact O-N 3.12Å; V53-T57 PolarHBondContact O-OG1 2.95Å; A54-T57 WeakPolarHBondContact CA-OG1 3.43Å; A54-T57 PolarHBondContact O-OG1 2.88Å; A54-T57 VanDerWaalsContact O-OG1 3.06Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 2.93Å; T57-S60 PolarHBondContact O-N 2.95Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.09Å
58	L	65.2	Low	64.7	Low	110 Å²	110	107.1 Å²	107.1	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-60.7	-40.5	172	-101.6	106.2	0	0	0	112.7	A54 V61 M62	A54-L58 WeakPolarHBondContact O-CB 3.44Å; A54-L58 VanDerWaalsContact O-CD1 3.27Å; A54-L58 WeakPolarHBondContact O-CD1 3.32Å; A54-L58 PolarHBondContact O-N 2.87Å; L58-V61 PolarHBondContact O-N 2.82Å; L58-M62 WeakPolarHBondContact O-CB 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.26Å; L58-M62 PolarHBondContact O-N 3.36Å
59	R	70.6	Confident	66.1	Low	184 Å²	184	102 Å²	102	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-63.1	-43.6	176.1	-77.8	-178.4	-178.9	-159.5	1.3	111.9	S55 R56 T57 M62 V63	S55-R59 WeakPolarHBondContact O-CG 3.28Å; S55-R59 PolarHBondContact O-N 3.46Å; S55-R59 VanDerWaalsContact O-N 3.1Å; R56-R59 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 2.93Å; R59-M62 PolarHBondContact O-N 2.83Å; R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.46Å; R59-V63 PolarHBondContact O-N 3.16Å
60	S	72.3	Confident	67.4	Low	72 Å²	72	101.8 Å²	101.8	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-42.1	177	-63.4	0	0	0	0	112.4	R56 T57 V63 I64	R56-S60 PolarHBondContact O-N 3.33Å; R56-S60 PolarHBondContact O-OG 3.26Å; T57-S60 PolarHBondContact O-N 2.95Å; S60-V63 PolarHBondContact O-N 3.45Å; S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.43Å
61	V	77.3	Confident	68.4	Low	84 Å²	84	99.4 Å²	99.4	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.9	174.5	0	0	0	0	111	T57 L58 I64 L65	T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.09Å; L58-V61 PolarHBondContact O-N 2.82Å; V61-I64 PolarHBondContact O-N 3.38Å; V61-L65 HydrophobicContact CG1-CD1 3.98Å; V61-L65 HydrophobicContact CG1-CG 4.38Å; V61-L65 WeakPolarHBondContact O-CB 3.42Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.74Å
62	M	77	Confident	68.8	Low	115 Å²	115	97.6 Å²	97.6	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-42.6	174.3	-79.4	-160.2	160.3	0	0	112	L58 R59 I64 L65 W66	L58-M62 WeakPolarHBondContact O-CB 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.26Å; L58-M62 PolarHBondContact O-N 3.36Å; R59-M62 PolarHBondContact O-N 2.83Å; M62-I64 VanDerWaalsContact C-N 3.34Å; M62-I64 PolarHBondContact O-N 2.73Å; M62-L65 PolarHBondContact O-N 3.28Å; M62-W66 WeakPolarHBondContact O-CB 3.39Å; M62-W66 PolarHBondContact O-N 3.32Å
63	V	79.7	Confident	69	Low	91 Å²	91	96.8 Å²	96.8	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-42.3	175.9	171.9	0	0	0	0	111.2	R59 S60 W66 V67	R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.46Å; R59-V63 PolarHBondContact O-N 3.16Å; S60-V63 PolarHBondContact O-N 3.45Å; V63-W66 PolarHBondContact O-N 3.27Å; V63-V67 HydrophobicContact CG1-CG2 4.3Å; V63-V67 WeakPolarHBondContact O-CB 3.45Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.28Å; V63-V67 PolarHBondContact O-N 3.44Å
64	I	82.3	Confident	68.7	Low	116 Å²	116	98.1 Å²	98.1	60%	0.595	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-43.3	176.7	-66.6	165.7	0	0	0	110.9	S60 V61 M62 W66 V67 A68	S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.43Å; V61-I64 PolarHBondContact O-N 3.38Å; M62-I64 VanDerWaalsContact C-N 3.34Å; M62-I64 PolarHBondContact O-N 2.73Å; I64-W66 VanDerWaalsContact C-N 3.34Å; I64-V67 PolarHBondContact O-N 3.08Å; I64-A68 VanDerWaalsContact O-CB 3.24Å; I64-A68 WeakPolarHBondContact O-CB 3.36Å; I64-A68 PolarHBondContact O-N 2.71Å
65	L	82.1	Confident	68.3	Low	109 Å²	109	102.9 Å²	102.9	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-36.8	175.8	-71.8	172.8	0	0	0	112	V61 M62 A69	V61-L65 HydrophobicContact CG1-CD1 3.98Å; V61-L65 HydrophobicContact CG1-CG 4.38Å; V61-L65 WeakPolarHBondContact O-CB 3.42Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.74Å; M62-L65 PolarHBondContact O-N 3.28Å; L65-A69 WeakPolarHBondContact O-CB 3.03Å; L65-A69 PolarHBondContact O-N 2.81Å
66	W	79.1	Confident	67.3	Low	176 Å²	176	105 Å²	105	67%	0.667	55%	0.553	S	S	*	*	H	α-helix	trans	-67.7	-41	174	-91.2	97	0	0	0	112	M62 V63 I64 A69 L70	M62-W66 WeakPolarHBondContact O-CB 3.39Å; M62-W66 PolarHBondContact O-N 3.32Å; V63-W66 PolarHBondContact O-N 3.27Å; I64-W66 VanDerWaalsContact C-N 3.34Å; W66-A69 PolarHBondContact O-N 2.82Å; W66-L70 VanDerWaalsContact O-CB 3.27Å; W66-L70 WeakPolarHBondContact O-CB 3.38Å; W66-L70 WeakPolarHBondContact O-CD1 3.25Å; W66-L70 WeakPolarHBondContact O-CG 3.33Å; W66-L70 PolarHBondContact O-N 3.01Å
67	V	79.9	Confident	66.5	Low	71 Å²	71	98.3 Å²	98.3	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-40.7	175.1	171.6	0	0	0	0	110.7	V63 I64 L70 L71	V63-V67 HydrophobicContact CG1-CG2 4.3Å; V63-V67 WeakPolarHBondContact O-CB 3.45Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.28Å; V63-V67 PolarHBondContact O-N 3.44Å; I64-V67 PolarHBondContact O-N 3.08Å; V67-L70 PolarHBondContact O-N 2.78Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.33Å; V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.26Å; V67-L71 PolarHBondContact O-N 3.31Å
68	A	77.2	Confident	66	Low	49 Å²	49	97.1 Å²	97.1	41%	0.405	53%	0.533	S	S	.	.	H	α-helix	trans	-66.6	-39.1	174.7	0	0	0	0	0	111.6	I64 L71 A72	I64-A68 VanDerWaalsContact O-CB 3.24Å; I64-A68 WeakPolarHBondContact O-CB 3.36Å; I64-A68 PolarHBondContact O-N 2.71Å; A68-L71 PolarHBondContact O-N 3.13Å; A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.21Å
69	A	73.3	Confident	65.8	Low	43 Å²	43	93.6 Å²	93.6	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-42.4	172.7	0	0	0	0	0	111.1	L65 W66 A72 I73	L65-A69 WeakPolarHBondContact O-CB 3.03Å; L65-A69 PolarHBondContact O-N 2.81Å; W66-A69 PolarHBondContact O-N 2.82Å; A69-A72 PolarHBondContact O-N 3.27Å; A69-I73 VanDerWaalsContact O-CB 3.29Å; A69-I73 WeakPolarHBondContact O-CB 3.37Å; A69-I73 VanDerWaalsContact O-CD1 3.31Å; A69-I73 WeakPolarHBondContact O-CD1 3.34Å; A69-I73 WeakPolarHBondContact O-CG1 3.13Å; A69-I73 PolarHBondContact O-N 2.95Å
70	L	70.4	Confident	65.9	Low	91 Å²	91	92 Å²	92	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-44.5	173.5	-84.3	161.3	0	0	0	111.5	W66 V67 I73 L74	W66-L70 VanDerWaalsContact O-CB 3.27Å; W66-L70 WeakPolarHBondContact O-CB 3.38Å; W66-L70 WeakPolarHBondContact O-CD1 3.25Å; W66-L70 WeakPolarHBondContact O-CG 3.33Å; W66-L70 PolarHBondContact O-N 3.01Å; V67-L70 PolarHBondContact O-N 2.78Å; L70-I73 PolarHBondContact O-N 3.06Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CD1 3.23Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 2.86Å
71	L	64.5	Low	66.7	Low	89 Å²	89	91.1 Å²	91.1	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-66.3	-37.5	176.1	-75.7	168.8	0	0	0	111.8	V67 A68 L74 H75	V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.33Å; V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 VanDerWaalsContact O-CG 3.24Å; V67-L71 WeakPolarHBondContact O-CG 3.26Å; V67-L71 PolarHBondContact O-N 3.31Å; A68-L71 PolarHBondContact O-N 3.13Å; L71-L74 PolarHBondContact O-N 3.4Å; L71-H75 WeakPolarHBondContact O-CB 3.36Å; L71-H75 PolarHBondContact O-N 3.15Å; L71-H75 PolarHBondContact O-ND1 2.63Å
72	A	57.2	Low	67.5	Low	56 Å²	56	91.6 Å²	91.6	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-69.9	-37.6	174.9	0	0	0	0	0	111.4	A68 A69 L74 H75 S76	A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.21Å; A69-A72 PolarHBondContact O-N 3.27Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-H75 PolarHBondContact O-N 2.72Å; A72-S76 WeakPolarHBondContact O-CA 3.06Å; A72-S76 WeakPolarHBondContact O-CB 3.38Å; A72-S76 PolarHBondContact O-N 2.86Å; A72-S76 PolarHBondContact O-OG 2.85Å; A72-S76 VanDerWaalsContact O-OG 3.05Å
73	I	53.6	Low	68.5	Low	109 Å²	109	86.4 Å²	86.4	56%	0.559	48%	0.477	S	S	*	.	H	α-helix	trans	-67.3	-37.7	172.9	-69.1	161.4	0	0	0	110.3	A69 L70 S76	A69-I73 VanDerWaalsContact O-CB 3.29Å; A69-I73 WeakPolarHBondContact O-CB 3.37Å; A69-I73 VanDerWaalsContact O-CD1 3.31Å; A69-I73 WeakPolarHBondContact O-CD1 3.34Å; A69-I73 WeakPolarHBondContact O-CG1 3.13Å; A69-I73 PolarHBondContact O-N 2.95Å; L70-I73 PolarHBondContact O-N 3.06Å; I73-S76 WeakPolarHBondContact CA-OG 3.41Å; I73-S76 PolarHBondContact O-OG 2.86Å
74	L	46.3	Very low	69.3	Low	119 Å²	119	83.2 Å²	83.2	62%	0.623	46%	0.456	S	S	*	.	H	α-helix	trans	-68.5	-39	174.1	-74.2	164.4	0	0	0	111.7	L70 L71 A72	L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CD1 3.23Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 3.4Å; A72-L74 VanDerWaalsContact C-N 3.34Å
75	H	44.2	Very low	70	Confident	147 Å²	147	79.4 Å²	79.4	68%	0.681	44%	0.437	S	S	*	.	H	α-helix	trans	-78.4	-28.2	176.9	-81.5	73.2	0	0	0	113.1	L71 A72 C77	L71-H75 WeakPolarHBondContact O-CB 3.36Å; L71-H75 PolarHBondContact O-N 3.15Å; L71-H75 PolarHBondContact O-ND1 2.63Å; A72-H75 PolarHBondContact O-N 2.72Å; H75-C77 PolarHBondContact O-N 2.72Å
76	S	38.6	Very low	70.7	Confident	96 Å²	96	74.9 Å²	74.9	67%	0.671	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.8	-179	71.1	0	0	0	0	113.4	A72 I73	A72-S76 WeakPolarHBondContact O-CA 3.06Å; A72-S76 WeakPolarHBondContact O-CB 3.38Å; A72-S76 PolarHBondContact O-N 2.86Å; A72-S76 PolarHBondContact O-OG 2.85Å; A72-S76 VanDerWaalsContact O-OG 3.05Å; I73-S76 WeakPolarHBondContact CA-OG 3.41Å; I73-S76 PolarHBondContact O-OG 2.86Å
77	C	44.5	Very low	71.5	Confident	57 Å²	57	72.2 Å²	72.2	39%	0.385	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-1.5	-177.4	-148.2	0	0	0	0	113.6	H75	H75-C77 PolarHBondContact O-N 2.72Å
78	A	51.1	Low	72.4	Confident	55 Å²	55	71.4 Å²	71.4	46%	0.455	40%	0.4	S	S	.	.	S	Bend	trans	-98.8	98.2	172.9	0	0	0	0	0	108.5
79	G	59.7	Low	73.4	Confident	36 Å²	36	69.4 Å²	69.4	37%	0.371	38%	0.382	S	S	.	.			trans	-52.9	143	167.5	0	0	0	0	0	110	Y81	G79-Y81 PolarHBondContact O-N 3.08Å
80	E	73.6	Confident	74.5	Confident	152 Å²	152	69.9 Å²	69.9	71%	0.71	38%	0.379	S	S	*	.			trans	-60.9	121.7	180	-172.1	176.6	-165	0	0	109.9	R82	E80-R82 PolarHBondContact O-N 2.92Å; E80-R82 VanDerWaalsContact O-N 3.12Å
81	Y	89.7	Confident	75.8	Confident	52 Å²	52	70.5 Å²	70.5	20%	0.204	38%	0.378	C	S	.	.			trans	-72.5	102.8	177.1	-73	-83.1	0	0	0	110.2	G79 R156 L391 E392 W395	G79-Y81 PolarHBondContact O-N 3.08Å; Y81-R156 HydrophobicContact CE1-CG 4.41Å; Y81-L391 HydrophobicContact CD1-CB 4.26Å; Y81-E392 HydrophobicContact CD1-CB 4.08Å; Y81-E392 HydrophobicContact CD2-CB 3.53Å; Y81-E392 HydrophobicContact CD2-CG 3.9Å; Y81-E392 HydrophobicContact CE1-CB 4.16Å; Y81-E392 HydrophobicContact CE1-CG 4.43Å; Y81-E392 HydrophobicContact CE2-CB 3.61Å; Y81-E392 HydrophobicContact CE2-CG 3.46Å; Y81-E392 VanDerWaalsContact CE2-CG 3.46Å; Y81-E392 HydrophobicContact CG-CB 3.77Å; Y81-W395 HydrophobicContact CE1-CB 3.85Å; Y81-W395 HydrophobicContact CE1-CG 4.13Å
82	R	94.4	Very high	77.4	Confident	95 Å²	95	67 Å²	67	36%	0.358	36%	0.36	S	S	.	.			trans	-149.4	166.9	179.9	66.9	-176.3	-175.6	167.6	-0.7	109.3	E80 H84	E80-R82 PolarHBondContact O-N 2.92Å; E80-R82 VanDerWaalsContact O-N 3.12Å; R82-H84 PolarHBondContact O-CE1 2.83Å; R82-H84 PolarHBondContact O-ND1 2.87Å
83	Y	96.2	Very high	79.3	Confident	6 Å²	6	64.4 Å²	64.4	2%	0.024	34%	0.338	C	S	.	.			trans	-80.3	145.5	171.6	-70.6	-72.6	0	0	0	112.1	A148 E152 M385 P386 E388 L391	Y83-A148 HydrophobicContact CD1-CB 4.08Å; Y83-A148 HydrophobicContact CE1-CB 3.47Å; Y83-A148 VanDerWaalsContact CE1-CB 3.47Å; Y83-E152 VanDerWaalsContact CA-OE1 3.31Å; Y83-E152 WeakPolarHBondContact CA-OE1 3.38Å; Y83-E152 HydrophobicContact CD1-CG 3.55Å; Y83-E152 HydrophobicContact CE1-CG 3.97Å; Y83-E152 HydrophobicContact CG-CG 4.5Å; Y83-M385 HydrophobicContact CD1-CE 4.01Å; Y83-M385 HydrophobicContact CD2-CE 4.13Å; Y83-M385 HydrophobicContact CE1-CE 4.07Å; Y83-M385 HydrophobicContact CE1-CG 4.16Å; Y83-M385 HydrophobicContact CE2-CE 4.15Å; Y83-M385 HydrophobicContact CE2-CG 4.05Å; Y83-M385 HydrophobicContact CG-CE 4.04Å; Y83-M385 WeakPolarHBondContact OH-CG 3.36Å; Y83-P386 VanDerWaalsContact CE2-O 3.31Å; Y83-P386 WeakPolarHBondContact CE2-O 3.3Å; Y83-P386 WeakPolarHBondContact OH-CD 3.3Å; Y83-P386 PolarHBondContact OH-O 3.18Å; Y83-E388 HydrophobicContact CD2-CG 3.4Å; Y83-E388 WeakPolarHBondContact CD2-OE1 3.42Å; Y83-E388 HydrophobicContact CE2-CG 3.81Å; Y83-E388 HydrophobicContact CG-CG 4.39Å; Y83-E388 PolarHBondContact N-OE1 3.14Å; Y83-L391 HydrophobicContact CD1-CD1 4.47Å; Y83-L391 HydrophobicContact CD2-CD1 4.32Å; Y83-L391 HydrophobicContact CE1-CD1 4.45Å; Y83-L391 HydrophobicContact CE1-CD2 4.04Å; Y83-L391 HydrophobicContact CE2-CD1 4.34Å; Y83-L391 HydrophobicContact CG-CD1 4.4Å
84	H	97.1	Very high	81.5	Confident	23 Å²	23	60.9 Å²	60.9	11%	0.106	33%	0.326	C	S	.	.			trans	-110.4	119.2	178.6	-61.2	86.1	0	0	0	110.6	R82 Q88 L89 R151 E152 L155 F192	R82-H84 PolarHBondContact O-CE1 2.83Å; R82-H84 PolarHBondContact O-ND1 2.87Å; H84-Q88 HydrophobicContact CB-CB 3.91Å; H84-L89 HydrophobicContact CB-CB 4.49Å; H84-R151 PolarHBondContact O-NE 2.95Å; H84-R151 PolarHBondContact O-NH2 2.88Å; H84-E152 IonicContact CE1-OE2 3.85Å; H84-E152 IonicContact CG-OE2 3.4Å; H84-E152 PolarHBondContact N-OE1 2.86Å; H84-E152 IonicContact ND1-OE2 3.08Å; H84-E152 PolarHBondContact ND1-OE2 2.91Å; H84-L155 HydrophobicContact CB-CD1 4Å; H84-F192 VanDerWaalsContact O-CE1 3.28Å; H84-F192 WeakPolarHBondContact O-CE1 3.26Å
85	N	96.9	Very high	83.9	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	32%	0.32	C	S	.	.			trans	-61.5	170.9	167.7	77.3	10.6	0	0	0	111.3	E87 Q88 L89 R151 E193 F196	N85-E87 VanDerWaalsContact C-N 3.27Å; N85-E87 PolarHBondContact O-N 2.81Å; N85-E87 PolarHBondContact OD1-N 3.08Å; N85-Q88 VanDerWaalsContact N-OE1 3.07Å; N85-Q88 PolarHBondContact O-N 3.06Å; N85-Q88 VanDerWaalsContact O-N 3.12Å; N85-Q88 VanDerWaalsContact OD1-CB 3.32Å; N85-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N85-Q88 WeakPolarHBondContact OD1-CG 3.42Å; N85-Q88 PolarHBondContact OD1-N 3.44Å; N85-L89 WeakPolarHBondContact O-CB 3.23Å; N85-L89 PolarHBondContact O-N 3.05Å; N85-R151 PolarHBondContact O-NH2 2.63Å; N85-E193 WeakPolarHBondContact CB-OE1 2.82Å; N85-F196 HydrophobicContact CB-CE1 4.26Å; N85-F196 HydrophobicContact CB-CZ 4.29Å
86	N	97.3	Very high	86.5	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-33.5	-173.2	-71.1	-27.6	0	0	0	113.3	N90 R116 R151 P189 E193	N86-N90 PolarHBondContact O-N 2.84Å; N86-N90 PolarHBondContact O-ND2 3.44Å; N86-N90 VanDerWaalsContact O-ND2 3.17Å; N86-R116 WeakPolarHBondContact ND2-CD 3.42Å; N86-R116 PolarHBondContact ND2-NE 2.84Å; N86-R151 PolarHBondContact OD1-NH1 3.3Å; N86-R151 PolarHBondContact OD1-NH2 3.49Å; N86-P189 WeakPolarHBondContact ND2-CB 3.45Å; N86-P189 PolarHBondContact ND2-O 3.17Å; N86-E193 HydrophobicContact CB-CG 4.47Å; N86-E193 WeakPolarHBondContact CB-OE1 3.49Å; N86-E193 PolarHBondContact N-OE1 2.92Å; N86-E193 WeakPolarHBondContact ND2-CG 3.17Å; N86-E193 PolarHBondContact ND2-OE1 3.5Å
87	E	96.6	Very high	89.4	Confident	121 Å²	121	50.8 Å²	50.8	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-67.4	-44	174.1	-167.6	-166.7	157	0	0	111.4	N85 N90 K91	N85-E87 VanDerWaalsContact C-N 3.27Å; N85-E87 PolarHBondContact O-N 2.81Å; N85-E87 PolarHBondContact OD1-N 3.08Å; E87-N90 PolarHBondContact O-N 2.8Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 3.07Å; E87-K91 VanDerWaalsContact O-N 3.16Å; E87-K91 VanDerWaalsContact OE1-CE 3.3Å; E87-K91 WeakPolarHBondContact OE1-CE 3.32Å; E87-K91 IonicContact OE1-NZ 3.53Å; E87-K91 PolarHBondContact OE1-NZ 3.29Å
88	Q	97.4	Very high	91.9	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-38.7	178.7	-71.9	169.1	-22.3	0	0	112.2	H84 N85 N90 K91 V92	H84-Q88 HydrophobicContact CB-CB 3.91Å; N85-Q88 VanDerWaalsContact N-OE1 3.07Å; N85-Q88 PolarHBondContact O-N 3.06Å; N85-Q88 VanDerWaalsContact O-N 3.12Å; N85-Q88 VanDerWaalsContact OD1-CB 3.32Å; N85-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N85-Q88 WeakPolarHBondContact OD1-CG 3.42Å; N85-Q88 PolarHBondContact OD1-N 3.44Å; Q88-N90 VanDerWaalsContact C-N 3.33Å; Q88-N90 PolarHBondContact O-N 2.84Å; Q88-K91 WeakPolarHBondContact O-CB 3.48Å; Q88-K91 PolarHBondContact O-N 3.31Å; Q88-V92 WeakPolarHBondContact O-CG2 3.42Å; Q88-V92 PolarHBondContact O-N 3.01Å
89	L	98	Very high	94.2	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-54.8	-51.2	174.3	177	157.6	0	0	0	110.1	H84 N85 K91 V92 L93 R151 L155 P185	H84-L89 HydrophobicContact CB-CB 4.49Å; N85-L89 WeakPolarHBondContact O-CB 3.23Å; N85-L89 PolarHBondContact O-N 3.05Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.78Å; L89-V92 PolarHBondContact O-N 3.46Å; L89-V92 VanDerWaalsContact O-N 3.13Å; L89-L93 HydrophobicContact CD2-CD1 3.77Å; L89-L93 HydrophobicContact CD2-CG 4.17Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.2Å; L89-R151 HydrophobicContact CD1-CG 4.25Å; L89-R151 VanDerWaalsContact CD1-NH2 3.29Å; L89-L155 HydrophobicContact CB-CD1 4.43Å; L89-L155 HydrophobicContact CD1-CD1 4.45Å; L89-L155 HydrophobicContact CG-CD1 4.17Å; L89-L155 HydrophobicContact CG-CD2 3.92Å; L89-P185 HydrophobicContact CD1-CB 4.1Å
90	N	97.4	Very high	96	Very high	53 Å²	53	53.9 Å²	53.9	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-34	-179.9	-71.6	-31.4	0	0	0	112.3	N86 E87 Q88 A94 S119	N86-N90 PolarHBondContact O-N 2.84Å; N86-N90 PolarHBondContact O-ND2 3.44Å; N86-N90 VanDerWaalsContact O-ND2 3.17Å; E87-N90 PolarHBondContact O-N 2.8Å; Q88-N90 VanDerWaalsContact C-N 3.33Å; Q88-N90 PolarHBondContact O-N 2.84Å; N90-A94 WeakPolarHBondContact O-CB 3.44Å; N90-A94 PolarHBondContact O-N 3.18Å; N90-S119 WeakPolarHBondContact OD1-CB 3.06Å; N90-S119 PolarHBondContact OD1-OG 3.29Å; N90-S119 VanDerWaalsContact OD1-OG 3.11Å
91	K	97.7	Very high	97.1	Very high	105 Å²	105	50.3 Å²	50.3	46%	0.457	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-44.5	171.9	-71.5	172.7	-175	169	0	112	E87 Q88 L89 L93 A94 D95	E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 3.07Å; E87-K91 VanDerWaalsContact O-N 3.16Å; E87-K91 VanDerWaalsContact OE1-CE 3.3Å; E87-K91 WeakPolarHBondContact OE1-CE 3.32Å; E87-K91 IonicContact OE1-NZ 3.53Å; E87-K91 PolarHBondContact OE1-NZ 3.29Å; Q88-K91 WeakPolarHBondContact O-CB 3.48Å; Q88-K91 PolarHBondContact O-N 3.31Å; L89-K91 VanDerWaalsContact C-N 3.28Å; L89-K91 PolarHBondContact O-N 2.78Å; K91-L93 PolarHBondContact O-N 3.31Å; K91-A94 PolarHBondContact O-N 3.45Å; K91-D95 WeakPolarHBondContact O-CB 3.49Å; K91-D95 VanDerWaalsContact O-CG 3.27Å; K91-D95 PolarHBondContact O-N 3.36Å
92	V	97.8	Very high	97.5	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-45.7	176.9	172.2	0	0	0	0	110.7	Q88 L89 A94 D95 V96 L155 E159	Q88-V92 WeakPolarHBondContact O-CG2 3.42Å; Q88-V92 PolarHBondContact O-N 3.01Å; L89-V92 PolarHBondContact O-N 3.46Å; L89-V92 VanDerWaalsContact O-N 3.13Å; V92-A94 PolarHBondContact O-N 3.38Å; V92-D95 PolarHBondContact O-N 3.09Å; V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 2.67Å; V92-L155 HydrophobicContact CB-CD2 4.37Å; V92-L155 HydrophobicContact CG1-CB 4.27Å; V92-L155 HydrophobicContact CG1-CD2 4.09Å; V92-E159 HydrophobicContact CG1-CG 4.45Å
93	L	98.4	Very high	97.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.1	-63.7	-173.1	0	0	0	111.4	L89 K91 D95 V96 H97 I106 I121 L155 P185	L89-L93 HydrophobicContact CD2-CD1 3.77Å; L89-L93 HydrophobicContact CD2-CG 4.17Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.2Å; K91-L93 PolarHBondContact O-N 3.31Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.13Å; L93-V96 PolarHBondContact O-N 3.35Å; L93-H97 PolarHBondContact O-N 3.1Å; L93-I106 VanDerWaalsContact C-CD1 3.41Å; L93-I106 HydrophobicContact CB-CD1 3.95Å; L93-I106 HydrophobicContact CB-CG1 4.47Å; L93-I106 WeakPolarHBondContact O-CD1 3.46Å; L93-I121 HydrophobicContact CD2-CB 4.06Å; L93-I121 HydrophobicContact CD2-CD1 4.43Å; L93-I121 HydrophobicContact CD2-CG2 3.77Å; L93-L155 HydrophobicContact CD2-CD2 3.66Å; L93-L155 HydrophobicContact CG-CD2 4.14Å; L93-P185 HydrophobicContact CD1-CG 4.43Å; L93-P185 HydrophobicContact CD2-CG 4.24Å
94	A	98.4	Very high	97.7	Very high	36 Å²	36	47 Å²	47	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-41.6	176.9	0	0	0	0	0	112.3	N90 K91 V92 H97 N98 I106	N90-A94 WeakPolarHBondContact O-CB 3.44Å; N90-A94 PolarHBondContact O-N 3.18Å; K91-A94 PolarHBondContact O-N 3.45Å; V92-A94 PolarHBondContact O-N 3.38Å; A94-H97 PolarHBondContact O-N 3.17Å; A94-N98 WeakPolarHBondContact O-CB 3.32Å; A94-N98 PolarHBondContact O-N 3.41Å; A94-N98 PolarHBondContact O-ND2 3.18Å; A94-N98 VanDerWaalsContact O-ND2 3.12Å; A94-I106 HydrophobicContact CB-CD1 4.47Å
95	D	98.1	Very high	97.8	Very high	93 Å²	93	48.2 Å²	48.2	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-37.7	177.3	-73.1	-16.9	0	0	0	112.3	K91 V92 L93 R99	K91-D95 WeakPolarHBondContact O-CB 3.49Å; K91-D95 VanDerWaalsContact O-CG 3.27Å; K91-D95 PolarHBondContact O-N 3.36Å; V92-D95 PolarHBondContact O-N 3.09Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.13Å; D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 3.43Å; D95-R99 PolarHBondContact O-NE 3.29Å
96	V	98.4	Very high	97.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-47.8	171.7	174.4	0	0	0	0	110.5	V92 L93 N98 R99 C100 I121 F123 A158 E159 C162	V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 2.67Å; L93-V96 PolarHBondContact O-N 3.35Å; V96-N98 PolarHBondContact O-N 3.15Å; V96-R99 PolarHBondContact O-N 2.77Å; V96-C100 PolarHBondContact O-N 3.43Å; V96-I121 HydrophobicContact CB-CD1 3.92Å; V96-I121 HydrophobicContact CG1-CD1 3.59Å; V96-F123 HydrophobicContact CG1-CE1 4.44Å; V96-F123 HydrophobicContact CG1-CZ 3.75Å; V96-A158 HydrophobicContact CG1-CB 4.25Å; V96-A158 HydrophobicContact CG2-CB 4.27Å; V96-E159 HydrophobicContact CG2-CB 4.43Å; V96-E159 HydrophobicContact CG2-CG 3.75Å; V96-C162 HydrophobicContact CG1-CB 3.96Å
97	H	98.4	Very high	97.9	Very high	57 Å²	57	49.6 Å²	49.6	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-43.6	179	178.1	62.6	0	0	0	112.1	L93 A94 R99 C100 P101 T104 I106	L93-H97 PolarHBondContact O-N 3.1Å; A94-H97 PolarHBondContact O-N 3.17Å; H97-R99 PolarHBondContact O-N 2.88Å; H97-C100 CarbonylContact O-C 3.58Å; H97-C100 VanDerWaalsContact O-C 3.24Å; H97-C100 PolarHBondContact O-N 2.98Å; H97-C100 VanDerWaalsContact O-N 3.14Å; H97-P101 WeakPolarHBondContact O-CA 3.29Å; H97-P101 VanDerWaalsContact O-CD 3.27Å; H97-P101 WeakPolarHBondContact O-CD 3.4Å; H97-T104 WeakPolarHBondContact CA-OG1 3.46Å; H97-T104 PolarHBondContact CE1-O 3.4Å; H97-T104 PolarHBondContact ND1-O 2.8Å; H97-T104 VanDerWaalsContact ND1-O 3.15Å; H97-T104 PolarHBondContact ND1-OG1 2.72Å; H97-I106 HydrophobicContact CB-CD1 3.64Å; H97-I106 HydrophobicContact CB-CG1 4Å
98	N	98.3	Very high	97.9	Very high	115 Å²	115	46 Å²	46	62%	0.615	25%	0.249	S	C	*	.	H	α-helix	trans	-61.7	-30.5	177.6	-72.2	-29.5	0	0	0	113.1	A94 V96	A94-N98 WeakPolarHBondContact O-CB 3.32Å; A94-N98 PolarHBondContact O-N 3.41Å; A94-N98 PolarHBondContact O-ND2 3.18Å; A94-N98 VanDerWaalsContact O-ND2 3.12Å; V96-N98 PolarHBondContact O-N 3.15Å
99	R	97.9	Very high	97.9	Very high	93 Å²	93	44.3 Å²	44.3	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-81.6	-26.1	176	-72.5	-176.1	-64.4	149	-8.9	113.9	D95 V96 H97 P101 C162 E163 N166	D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 3.43Å; D95-R99 PolarHBondContact O-NE 3.29Å; V96-R99 PolarHBondContact O-N 2.77Å; H97-R99 PolarHBondContact O-N 2.88Å; R99-P101 VanDerWaalsContact C-CD 3.49Å; R99-C162 VanDerWaalsContact CB-SG 3.59Å; R99-E163 IonicContact NH1-OE1 3.89Å; R99-E163 PolarHBondContact NH1-OE1 2.95Å; R99-E163 VanDerWaalsContact NH1-OE1 3.14Å; R99-N166 PolarHBondContact O-ND2 3.3Å
100	C	97.9	Very high	97.8	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.027	25%	0.252	C	S	.	.	S	Bend	trans	-133.6	51.6	-177.8	-71	0	0	0	0	113.2	V96 H97 A102 V103 T104 C162 N166	V96-C100 PolarHBondContact O-N 3.43Å; H97-C100 CarbonylContact O-C 3.58Å; H97-C100 VanDerWaalsContact O-C 3.24Å; H97-C100 PolarHBondContact O-N 2.98Å; H97-C100 VanDerWaalsContact O-N 3.14Å; C100-A102 PolarHBondContact O-N 2.89Å; C100-V103 HydrophobicContact CB-CG2 4.01Å; C100-V103 PolarHBondContact O-N 3.15Å; C100-T104 HydrophobicContact CB-CG2 3.99Å; C100-T104 WeakPolarHBondContact O-CB 3.42Å; C100-T104 WeakPolarHBondContact O-CG2 3.31Å; C100-T104 PolarHBondContact O-N 3.34Å; C100-T104 VanDerWaalsContact O-N 3.15Å; C100-T104 PolarHBondContact O-OG1 2.78Å; C100-C162 HydrophobicContact CB-CB 3.88Å; C100-C162 WeakPolarHBondContact CB-SG 3.44Å; C100-C162 WeakPolarHBondContact SG-CA 3.35Å; C100-C162 WeakPolarHBondContact SG-CB 3.37Å; C100-C162 PolarHBondContact SG-O 2.82Å; C100-C162 VanDerWaalsContact SG-O 3.35Å; C100-C162 CovalentContact SG-SG 2.04Å; C100-C162 PolarHBondContact SG-SG 2.88Å; C100-N166 PolarHBondContact SG-ND2 3.44Å
101	P	97.4	Very high	97.8	Very high	78 Å²	78	46.9 Å²	46.9	51%	0.506	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.3	-169.5	27.3	-35.9	0	0	0	112.8	H97 R99 V103	H97-P101 WeakPolarHBondContact O-CA 3.29Å; H97-P101 VanDerWaalsContact O-CD 3.27Å; H97-P101 WeakPolarHBondContact O-CD 3.4Å; R99-P101 VanDerWaalsContact C-CD 3.49Å; P101-V103 VanDerWaalsContact C-N 3.28Å; P101-V103 PolarHBondContact O-N 2.86Å
102	A	96.9	Very high	97.8	Very high	77 Å²	77	42.1 Å²	42.1	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.4	-179.8	0	0	0	0	0	113.9	C100	C100-A102 PolarHBondContact O-N 2.89Å
103	V	98	Very high	97.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	9.2	-175.9	-64.1	0	0	0	0	113.7	C100 P101 F123 S124 Y165 I176	C100-V103 HydrophobicContact CB-CG2 4.01Å; C100-V103 PolarHBondContact O-N 3.15Å; P101-V103 VanDerWaalsContact C-N 3.28Å; P101-V103 PolarHBondContact O-N 2.86Å; V103-F123 CarbonylContact O-C 3.51Å; V103-F123 VanDerWaalsContact O-CA 3.26Å; V103-F123 WeakPolarHBondContact O-CA 3.21Å; V103-S124 CarbonylContact C-O 3.48Å; V103-S124 WeakPolarHBondContact CA-O 3.34Å; V103-S124 WeakPolarHBondContact CB-O 3.27Å; V103-S124 PolarHBondContact O-N 3.15Å; V103-Y165 HydrophobicContact CB-CE1 4.49Å; V103-Y165 HydrophobicContact CG1-CE1 3.77Å; V103-Y165 HydrophobicContact CG1-CE2 3.93Å; V103-Y165 VanDerWaalsContact CG1-CZ 3.41Å; V103-Y165 WeakPolarHBondContact CG1-OH 3.47Å; V103-Y165 HydrophobicContact CG2-CD1 3.93Å; V103-Y165 HydrophobicContact CG2-CE1 3.93Å; V103-Y165 HydrophobicContact CG2-CE2 4.5Å; V103-Y165 HydrophobicContact CG2-CG 4.25Å; V103-I176 HydrophobicContact CB-CG2 4.11Å; V103-I176 HydrophobicContact CG1-CG2 4.33Å
104	T	98.7	Very high	97.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.4	-179.9	59.8	0	0	0	0	112.4	H97 C100 E122 F123	H97-T104 WeakPolarHBondContact CA-OG1 3.46Å; H97-T104 PolarHBondContact CE1-O 3.4Å; H97-T104 PolarHBondContact ND1-O 2.8Å; H97-T104 VanDerWaalsContact ND1-O 3.15Å; H97-T104 PolarHBondContact ND1-OG1 2.72Å; C100-T104 HydrophobicContact CB-CG2 3.99Å; C100-T104 WeakPolarHBondContact O-CB 3.42Å; C100-T104 WeakPolarHBondContact O-CG2 3.31Å; C100-T104 PolarHBondContact O-N 3.34Å; C100-T104 VanDerWaalsContact O-N 3.15Å; C100-T104 PolarHBondContact O-OG1 2.78Å; T104-E122 WeakPolarHBondContact CA-O 3.16Å; T104-F123 HydrophobicContact CG2-CD1 3.51Å; T104-F123 HydrophobicContact CG2-CD2 4.45Å; T104-F123 HydrophobicContact CG2-CE1 3.33Å; T104-F123 HydrophobicContact CG2-CE2 4.3Å; T104-F123 HydrophobicContact CG2-CG 4.09Å; T104-F123 HydrophobicContact CG2-CZ 3.75Å
105	R	98.1	Very high	97.8	Very high	49 Å²	49	49.9 Å²	49.9	19%	0.185	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	140.3	170.4	169.9	-176.7	170.6	137.1	-4.6	109.1	E122 P127 E566	R105-E122 HydrophobicContact CB-CB 4.28Å; R105-E122 PolarHBondContact N-O 3.28Å; R105-E122 VanDerWaalsContact N-O 3.14Å; R105-E122 PolarHBondContact O-N 3.38Å; R105-P127 HydrophobicContact CB-CB 3.86Å; R105-E566 IonicContact CZ-OE1 3.85Å; R105-E566 IonicContact CZ-OE2 2.66Å; R105-E566 IonicContact NH1-OE1 3.45Å; R105-E566 PolarHBondContact NH1-OE1 3Å; R105-E566 IonicContact NH1-OE2 3.89Å; R105-E566 PolarHBondContact NH1-OE2 3.33Å; R105-E566 IonicContact NH2-OE2 3.99Å; R105-E566 PolarHBondContact NH2-OE2 3.04Å
106	I	98.3	Very high	97.8	Very high	58 Å²	58	48.4 Å²	48.4	30%	0.297	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.6	171.7	-56	168.1	0	0	0	108.1	L93 A94 H97 V120 I121	L93-I106 VanDerWaalsContact C-CD1 3.41Å; L93-I106 HydrophobicContact CB-CD1 3.95Å; L93-I106 HydrophobicContact CB-CG1 4.47Å; L93-I106 WeakPolarHBondContact O-CD1 3.46Å; A94-I106 HydrophobicContact CB-CD1 4.47Å; H97-I106 HydrophobicContact CB-CD1 3.64Å; H97-I106 HydrophobicContact CB-CG1 4Å; I106-V120 WeakPolarHBondContact CA-O 3.15Å; I106-I121 HydrophobicContact CG1-CD1 4.38Å; I106-I121 HydrophobicContact CG1-CG1 4.25Å
107	Y	97.9	Very high	97.8	Very high	22 Å²	22	50.8 Å²	50.8	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.3	172.7	65.4	-82.8	0	0	0	110.1	I109 V120 E122 H182 W261 I564	Y107-I109 HydrophobicContact CD2-CG2 4.1Å; Y107-I109 HydrophobicContact CE2-CG2 3.53Å; Y107-V120 HydrophobicContact CD1-CB 4.28Å; Y107-V120 HydrophobicContact CD2-CB 4.42Å; Y107-V120 HydrophobicContact CE1-CB 3.81Å; Y107-V120 HydrophobicContact CE1-CG1 3.68Å; Y107-V120 HydrophobicContact CE2-CB 3.97Å; Y107-V120 HydrophobicContact CE2-CG1 4.37Å; Y107-V120 HydrophobicContact CE2-CG2 4.16Å; Y107-V120 PolarHBondContact N-O 3.45Å; Y107-V120 PolarHBondContact O-N 2.79Å; Y107-V120 WeakPolarHBondContact OH-CG1 3.16Å; Y107-E122 HydrophobicContact CE1-CB 4.19Å; Y107-H182 AromaticContact CE1-ND1 3.74Å; Y107-H182 AromaticContact CZ-ND1 3.66Å; Y107-H182 PolarHBondContact OH-ND1 2.95Å; Y107-W261 PolarHBondContact OH-NE1 2.99Å; Y107-W261 VanDerWaalsContact OH-NE1 3.08Å; Y107-I564 HydrophobicContact CD2-CD1 3.76Å; Y107-I564 HydrophobicContact CE2-CD1 3.9Å
108	S	97.4	Very high	97.8	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.4	171.8	-169.5	0	0	0	0	109.6	G110 L118	S108-G110 PolarHBondContact OG-N 3.16Å; S108-G110 PolarHBondContact OG-O 2.75Å; S108-L118 WeakPolarHBondContact CA-O 3.38Å; S108-L118 PolarHBondContact OG-N 2.91Å
109	I	96.9	Very high	97.8	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-4.7	173.5	57.6	168.6	0	0	0	113.2	Y107 L118 V120 L184 A257 V258 W261	Y107-I109 HydrophobicContact CD2-CG2 4.1Å; Y107-I109 HydrophobicContact CE2-CG2 3.53Å; I109-L118 HydrophobicContact CD1-CB 4.18Å; I109-L118 HydrophobicContact CD1-CD2 4.21Å; I109-L118 HydrophobicContact CG1-CB 3.59Å; I109-L118 HydrophobicContact CG1-CD2 4.31Å; I109-L118 PolarHBondContact N-O 2.77Å; I109-L118 VanDerWaalsContact N-O 3.15Å; I109-V120 HydrophobicContact CG2-CG2 3.88Å; I109-L184 HydrophobicContact CD1-CD2 3.76Å; I109-A257 HydrophobicContact CD1-CB 4.43Å; I109-A257 HydrophobicContact CG1-CB 4.28Å; I109-A257 WeakPolarHBondContact O-CB 3.41Å; I109-V258 HydrophobicContact CD1-CG2 3.68Å; I109-W261 HydrophobicContact CB-CB 4.29Å; I109-W261 HydrophobicContact CB-CG 4.41Å; I109-W261 HydrophobicContact CD1-CB 4.29Å; I109-W261 HydrophobicContact CD1-CD2 4.16Å; I109-W261 HydrophobicContact CD1-CE3 3.8Å; I109-W261 HydrophobicContact CD1-CG 4.4Å; I109-W261 HydrophobicContact CD1-CZ3 4.48Å; I109-W261 HydrophobicContact CG2-CB 4.02Å; I109-W261 HydrophobicContact CG2-CD2 3.93Å; I109-W261 HydrophobicContact CG2-CG 3.64Å
110	G	95.8	Very high	97.8	Very high	24 Å²	24	38.8 Å²	38.8	25%	0.247	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-176	-176.4	0	0	0	0	0	110.2	S108 L118	S108-G110 PolarHBondContact OG-N 3.16Å; S108-G110 PolarHBondContact OG-O 2.75Å; G110-L118 PolarHBondContact O-N 2.97Å
111	D	97.3	Very high	97.8	Very high	89 Å²	89	38.6 Å²	38.6	48%	0.476	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.9	177.5	-60.5	-59.2	0	0	0	110.3	R116 P117	D111-R116 CarbonylContact C-O 3.46Å; D111-R116 WeakPolarHBondContact CA-O 3.39Å; D111-P117 WeakPolarHBondContact OD1-CA 3.49Å
112	S	98.3	Very high	97.9	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.042	21%	0.21	C	C	.	.			trans	-70.7	175.6	170.3	66.7	0	0	0	0	111.8	E114 G115 R116 D190 E254	S112-E114 VanDerWaalsContact C-N 3.27Å; S112-E114 PolarHBondContact O-N 3.41Å; S112-G115 PolarHBondContact O-N 3.09Å; S112-R116 PolarHBondContact N-O 2.84Å; S112-R116 WeakPolarHBondContact OG-CB 3.4Å; S112-R116 PolarHBondContact OG-N 2.79Å; S112-R116 PolarHBondContact OG-O 3.46Å; S112-D190 VanDerWaalsContact CB-CG 3.49Å; S112-D190 WeakPolarHBondContact CB-OD1 3.22Å; S112-D190 VanDerWaalsContact CB-OD2 3.25Å; S112-D190 WeakPolarHBondContact CB-OD2 3.37Å; S112-D190 PolarHBondContact OG-OD1 2.84Å; S112-D190 PolarHBondContact OG-OD2 2.91Å; S112-E254 WeakPolarHBondContact CA-OE1 3.31Å; S112-E254 VanDerWaalsContact CB-OE1 3.25Å; S112-E254 WeakPolarHBondContact CB-OE1 3.28Å
113	V	98.1	Very high	98	Very high	43 Å²	43	31.2 Å²	31.2	26%	0.261	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-41.5	175.3	174.1	0	0	0	0	112.6	G115 D190 A211 H212 P253 E254	V113-G115 VanDerWaalsContact C-N 3.25Å; V113-G115 PolarHBondContact O-N 2.88Å; V113-D190 PolarHBondContact N-OD2 3.42Å; V113-A211 HydrophobicContact CB-CB 3.76Å; V113-A211 HydrophobicContact CG1-CB 3.76Å; V113-A211 HydrophobicContact CG2-CB 4.46Å; V113-H212 VanDerWaalsContact CG1-CE1 3.46Å; V113-H212 WeakPolarHBondContact CG1-CE1 3.1Å; V113-H212 VanDerWaalsContact CG1-NE2 3.31Å; V113-H212 WeakPolarHBondContact CG1-NE2 3.15Å; V113-P253 HydrophobicContact CB-CG 4.27Å; V113-P253 HydrophobicContact CG2-CG 3.44Å; V113-P253 VanDerWaalsContact CG2-CG 3.44Å; V113-E254 PolarHBondContact N-OE1 2.79Å; V113-E254 VanDerWaalsContact N-OE1 3.14Å
114	E	98.1	Very high	98	Very high	120 Å²	120	31.1 Å²	31.1	56%	0.561	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	15	177.7	-61.9	-171.6	164.6	0	0	113.4	S112 R116 D190 A211	S112-E114 VanDerWaalsContact C-N 3.27Å; S112-E114 PolarHBondContact O-N 3.41Å; E114-R116 IonicContact OE2-CZ 2.75Å; E114-R116 VanDerWaalsContact OE2-CZ 3.22Å; E114-R116 IonicContact OE2-NH1 2.91Å; E114-R116 PolarHBondContact OE2-NH1 3.46Å; E114-R116 IonicContact OE2-NH2 3.46Å; E114-R116 PolarHBondContact OE2-NH2 2.82Å; E114-D190 WeakPolarHBondContact CB-OD2 3.33Å; E114-D190 PolarHBondContact N-OD2 3.07Å; E114-A211 HydrophobicContact CG-CB 3.81Å
115	G	97.7	Very high	97.9	Very high	51 Å²	51	34 Å²	34	53%	0.526	19%	0.194	S	C	.	.	S	Bend	trans	75.2	28.1	174.1	0	0	0	0	0	114.4	S112 V113	S112-G115 PolarHBondContact O-N 3.09Å; V113-G115 VanDerWaalsContact C-N 3.25Å; V113-G115 PolarHBondContact O-N 2.88Å
116	R	97.9	Very high	97.8	Very high	63 Å²	63	36.3 Å²	36.3	24%	0.238	21%	0.206	C	C	.	.			trans	-93.9	134	175.6	-56.9	-168.3	178.6	79.6	5.7	110.3	N86 D111 S112 E114 L118 P189 D190	N86-R116 WeakPolarHBondContact ND2-CD 3.42Å; N86-R116 PolarHBondContact ND2-NE 2.84Å; D111-R116 CarbonylContact C-O 3.46Å; D111-R116 WeakPolarHBondContact CA-O 3.39Å; S112-R116 PolarHBondContact N-O 2.84Å; S112-R116 WeakPolarHBondContact OG-CB 3.4Å; S112-R116 PolarHBondContact OG-N 2.79Å; S112-R116 PolarHBondContact OG-O 3.46Å; E114-R116 IonicContact OE2-CZ 2.75Å; E114-R116 VanDerWaalsContact OE2-CZ 3.22Å; E114-R116 IonicContact OE2-NH1 2.91Å; E114-R116 PolarHBondContact OE2-NH1 3.46Å; E114-R116 IonicContact OE2-NH2 3.46Å; E114-R116 PolarHBondContact OE2-NH2 2.82Å; R116-L118 PolarHBondContact O-N 3.21Å; R116-P189 HydrophobicContact CB-CB 4.13Å; R116-P189 HydrophobicContact CB-CG 3.91Å; R116-D190 IonicContact CZ-OD1 3.74Å; R116-D190 VanDerWaalsContact NH1-CG 3.28Å; R116-D190 IonicContact NH1-OD1 3.98Å; R116-D190 PolarHBondContact NH1-OD1 2.67Å
117	P	97.6	Very high	97.7	Very high	50 Å²	50	35.5 Å²	35.5	33%	0.325	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.3	-175.4	28.6	-35.4	0	0	0	111.6	D111 S119	D111-P117 WeakPolarHBondContact OD1-CA 3.49Å; P117-S119 VanDerWaalsContact C-N 3.26Å; P117-S119 PolarHBondContact O-N 3.23Å; P117-S119 PolarHBondContact O-OG 3.45Å
118	L	98.5	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	81.7	168.9	-83.4	64.6	0	0	0	108.4	S108 I109 G110 R116 L184 P189 E254 A257 V258	S108-L118 WeakPolarHBondContact CA-O 3.38Å; S108-L118 PolarHBondContact OG-N 2.91Å; I109-L118 HydrophobicContact CD1-CB 4.18Å; I109-L118 HydrophobicContact CD1-CD2 4.21Å; I109-L118 HydrophobicContact CG1-CB 3.59Å; I109-L118 HydrophobicContact CG1-CD2 4.31Å; I109-L118 PolarHBondContact N-O 2.77Å; I109-L118 VanDerWaalsContact N-O 3.15Å; G110-L118 PolarHBondContact O-N 2.97Å; R116-L118 PolarHBondContact O-N 3.21Å; L118-L184 HydrophobicContact CB-CD1 4.2Å; L118-P189 HydrophobicContact CD1-CG 4.11Å; L118-E254 HydrophobicContact CD1-CG 4.33Å; L118-E254 HydrophobicContact CD2-CB 4.14Å; L118-E254 HydrophobicContact CD2-CG 4.28Å; L118-A257 HydrophobicContact CD2-CB 4.17Å; L118-V258 HydrophobicContact CD2-CG2 4.37Å
119	S	98.4	Very high	97.1	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.1	-170.6	-61.7	0	0	0	0	112.3	N90 P117 P185	N90-S119 WeakPolarHBondContact OD1-CB 3.06Å; N90-S119 PolarHBondContact OD1-OG 3.29Å; N90-S119 VanDerWaalsContact OD1-OG 3.11Å; P117-S119 VanDerWaalsContact C-N 3.26Å; P117-S119 PolarHBondContact O-N 3.23Å; P117-S119 PolarHBondContact O-OG 3.45Å; S119-P185 WeakPolarHBondContact O-CD 3.16Å
120	V	98.8	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.4	177.3	-175.8	0	0	0	0	109.5	I106 Y107 I109 H182 L183 L184 W261	I106-V120 WeakPolarHBondContact CA-O 3.15Å; Y107-V120 HydrophobicContact CD1-CB 4.28Å; Y107-V120 HydrophobicContact CD2-CB 4.42Å; Y107-V120 HydrophobicContact CE1-CB 3.81Å; Y107-V120 HydrophobicContact CE1-CG1 3.68Å; Y107-V120 HydrophobicContact CE2-CB 3.97Å; Y107-V120 HydrophobicContact CE2-CG1 4.37Å; Y107-V120 HydrophobicContact CE2-CG2 4.16Å; Y107-V120 PolarHBondContact N-O 3.45Å; Y107-V120 PolarHBondContact O-N 2.79Å; Y107-V120 WeakPolarHBondContact OH-CG1 3.16Å; I109-V120 HydrophobicContact CG2-CG2 3.88Å; V120-H182 HydrophobicContact CG1-CB 3.95Å; V120-L183 VanDerWaalsContact CA-O 3.31Å; V120-L183 WeakPolarHBondContact CA-O 3.27Å; V120-L183 WeakPolarHBondContact CG1-O 3.3Å; V120-L184 HydrophobicContact CG2-CB 4.04Å; V120-L184 HydrophobicContact CG2-CD1 3.88Å; V120-L184 HydrophobicContact CG2-CG 4.43Å; V120-W261 HydrophobicContact CG1-CZ2 4.18Å; V120-W261 HydrophobicContact CG2-CH2 4.44Å; V120-W261 HydrophobicContact CG2-CZ2 4.35Å
121	I	98.7	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.9	165.6	-169.9	166.9	0	0	0	110.3	L93 V96 I106 F123 A158 L183	L93-I121 HydrophobicContact CD2-CB 4.06Å; L93-I121 HydrophobicContact CD2-CD1 4.43Å; L93-I121 HydrophobicContact CD2-CG2 3.77Å; V96-I121 HydrophobicContact CB-CD1 3.92Å; V96-I121 HydrophobicContact CG1-CD1 3.59Å; I106-I121 HydrophobicContact CG1-CD1 4.38Å; I106-I121 HydrophobicContact CG1-CG1 4.25Å; I121-F123 HydrophobicContact CD1-CE2 4Å; I121-F123 HydrophobicContact CD1-CZ 4.18Å; I121-F123 HydrophobicContact CG1-CD2 4.45Å; I121-F123 HydrophobicContact CG1-CE2 3.9Å; I121-F123 HydrophobicContact CG2-CE2 4.08Å; I121-A158 HydrophobicContact CG2-CB 4.05Å; I121-L183 HydrophobicContact CG2-CB 3.87Å; I121-L183 HydrophobicContact CG2-CD1 4.22Å; I121-L183 HydrophobicContact CG2-CG 4.36Å; I121-L183 PolarHBondContact N-O 3.04Å; I121-L183 PolarHBondContact O-N 3.47Å
122	E	98.7	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.6	176.8	-169.8	-172.5	134	0	0	110.4	T104 R105 Y107 P127 G128 R180 I181 H182	T104-E122 WeakPolarHBondContact CA-O 3.16Å; R105-E122 HydrophobicContact CB-CB 4.28Å; R105-E122 PolarHBondContact N-O 3.28Å; R105-E122 VanDerWaalsContact N-O 3.14Å; R105-E122 PolarHBondContact O-N 3.38Å; Y107-E122 HydrophobicContact CE1-CB 4.19Å; E122-P127 WeakPolarHBondContact OE1-CA 3.46Å; E122-G128 PolarHBondContact OE1-N 3.28Å; E122-G128 PolarHBondContact OE2-N 2.95Å; E122-R180 HydrophobicContact CG-CG 4.15Å; E122-R180 IonicContact OE1-CZ 2.73Å; E122-R180 IonicContact OE1-NE 3.67Å; E122-R180 PolarHBondContact OE1-NE 2.92Å; E122-R180 IonicContact OE1-NH2 3.22Å; E122-R180 PolarHBondContact OE1-NH2 3.35Å; E122-R180 IonicContact OE2-CZ 3.53Å; E122-R180 IonicContact OE2-NE 3.31Å; E122-R180 PolarHBondContact OE2-NE 2.69Å; E122-R180 IonicContact OE2-NH2 3.73Å; E122-R180 PolarHBondContact OE2-NH2 2.91Å; E122-I181 CarbonylContact C-O 3.25Å; E122-I181 VanDerWaalsContact CA-O 3.23Å; E122-I181 WeakPolarHBondContact CA-O 3.43Å; E122-H182 IonicContact OE2-CE1 3.99Å
123	F	98.8	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	167.1	-71.7	-102.2	0	0	0	110.6	V96 V103 T104 I121 A158 L161 C162 I176 I181 L183	V96-F123 HydrophobicContact CG1-CE1 4.44Å; V96-F123 HydrophobicContact CG1-CZ 3.75Å; V103-F123 CarbonylContact O-C 3.51Å; V103-F123 VanDerWaalsContact O-CA 3.26Å; V103-F123 WeakPolarHBondContact O-CA 3.21Å; T104-F123 HydrophobicContact CG2-CD1 3.51Å; T104-F123 HydrophobicContact CG2-CD2 4.45Å; T104-F123 HydrophobicContact CG2-CE1 3.33Å; T104-F123 HydrophobicContact CG2-CE2 4.3Å; T104-F123 HydrophobicContact CG2-CG 4.09Å; T104-F123 HydrophobicContact CG2-CZ 3.75Å; I121-F123 HydrophobicContact CD1-CE2 4Å; I121-F123 HydrophobicContact CD1-CZ 4.18Å; I121-F123 HydrophobicContact CG1-CD2 4.45Å; I121-F123 HydrophobicContact CG1-CE2 3.9Å; I121-F123 HydrophobicContact CG2-CE2 4.08Å; F123-A158 HydrophobicContact CE2-CB 4.01Å; F123-A158 HydrophobicContact CZ-CB 4.08Å; F123-A158 VanDerWaalsContact CZ-O 3.28Å; F123-A158 WeakPolarHBondContact CZ-O 3.48Å; F123-L161 HydrophobicContact CD1-CB 4.05Å; F123-L161 HydrophobicContact CD2-CD1 4.18Å; F123-L161 HydrophobicContact CE1-CB 3.74Å; F123-L161 HydrophobicContact CE2-CD1 4.33Å; F123-L161 HydrophobicContact CG-CD1 4.27Å; F123-L161 HydrophobicContact CZ-CB 4.07Å; F123-C162 HydrophobicContact CE1-CB 4.23Å; F123-I176 HydrophobicContact CB-CD1 4.49Å; F123-I176 HydrophobicContact CB-CG1 4.31Å; F123-I176 HydrophobicContact CD1-CD1 3.97Å; F123-I181 HydrophobicContact CB-CB 4.25Å; F123-I181 PolarHBondContact N-O 2.88Å; F123-I181 PolarHBondContact O-N 3.26Å; F123-L183 HydrophobicContact CD2-CD1 4.48Å; F123-L183 HydrophobicContact CE2-CD1 4.21Å
124	S	98.3	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.			trans	-164.6	153.4	179.5	178.1	0	0	0	0	110.5	V103 H126 K134	V103-S124 CarbonylContact C-O 3.48Å; V103-S124 WeakPolarHBondContact CA-O 3.34Å; V103-S124 WeakPolarHBondContact CB-O 3.27Å; V103-S124 PolarHBondContact O-N 3.15Å; S124-H126 PolarHBondContact O-N 3.32Å; S124-H126 PolarHBondContact OG-N 3.47Å; S124-H126 PolarHBondContact OG-O 3.3Å; S124-K134 WeakPolarHBondContact OG-CE 3.4Å; S124-K134 PolarHBondContact OG-NZ 3.24Å
125	L	95.9	Very high	96.7	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.335	18%	0.177	S	C	.	.	S	Bend	trans	-53.9	-37.2	167.2	-175.8	62.6	0	0	0	113.5	I176	L125-I176 PolarHBondContact N-O 3.23Å
126	H	95.9	Very high	96.7	Very high	97 Å²	97	30 Å²	30	45%	0.449	15%	0.152	S	C	.	.	S	Bend	trans	-129.3	83	177.3	-56.6	113.3	0	0	0	108.7	S124 E131	S124-H126 PolarHBondContact O-N 3.32Å; S124-H126 PolarHBondContact OG-N 3.47Å; S124-H126 PolarHBondContact OG-O 3.3Å; H126-E131 IonicContact CE1-OE1 3.38Å; H126-E131 IonicContact CG-OE1 2.74Å; H126-E131 IonicContact CG-OE2 2.64Å; H126-E131 IonicContact ND1-OE1 3.96Å; H126-E131 PolarHBondContact ND1-OE1 2.93Å; H126-E131 IonicContact ND1-OE2 3.96Å; H126-E131 PolarHBondContact ND1-OE2 3.45Å
127	P	96	Very high	96.7	Very high	40 Å²	40	27 Å²	27	26%	0.26	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	149.3	-173.4	29	-34.7	0	0	0	112.3	R105 E122 K129	R105-P127 HydrophobicContact CB-CB 3.86Å; E122-P127 WeakPolarHBondContact OE1-CA 3.46Å; P127-K129 VanDerWaalsContact C-N 3.32Å
128	G	93	Very high	96.8	Very high	11 Å²	11	24.7 Å²	24.7	11%	0.113	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	0.5	-177.3	0	0	0	0	0	114.9	E122	E122-G128 PolarHBondContact OE1-N 3.28Å; E122-G128 PolarHBondContact OE2-N 2.95Å
129	K	90.1	Very high	96.8	Very high	116 Å²	116	24.7 Å²	24.7	50%	0.504	13%	0.126	S	C	.	.	S	Bend	trans	-137.4	134.9	178.3	-179.9	174.1	179.3	-178.3	0	111.5	P127	P127-K129 VanDerWaalsContact C-N 3.32Å
130	H	93.4	Very high	96.8	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.122	C	C	.	.			trans	-73.6	133.1	166.4	177.7	72.4	0	0	0	111.7	K134 E136 F453 N454 D456 W458 Y570	H130-K134 PolarHBondContact CE1-O 3.44Å; H130-E136 WeakPolarHBondContact CB-OE1 3.4Å; H130-E136 IonicContact CE1-OE1 2.74Å; H130-E136 IonicContact CG-OE1 3.67Å; H130-E136 IonicContact ND1-OE1 2.94Å; H130-E136 PolarHBondContact ND1-OE1 3.49Å; H130-F453 HydrophobicContact CB-CE1 4.49Å; H130-F453 AromaticContact CD2-CE1 3.77Å; H130-N454 PolarHBondContact CD2-ND2 3.24Å; H130-N454 PolarHBondContact NE2-ND2 3.03Å; H130-N454 VanDerWaalsContact NE2-ND2 3.13Å; H130-D456 IonicContact NE2-OD1 2.78Å; H130-D456 IonicContact NE2-OD2 3.76Å; H130-D456 PolarHBondContact NE2-OD2 3.3Å; H130-W458 AromaticContact CE1-CH2 3.4Å; H130-W458 VanDerWaalsContact CE1-CH2 3.4Å; H130-W458 WeakPolarHBondContact CE1-CH2 3.45Å; H130-W458 AromaticContact NE2-CH2 3.71Å; H130-Y570 WeakPolarHBondContact CB-OH 3.5Å
131	E	94.7	Very high	96.8	Very high	47 Å²	47	24.2 Å²	24.2	22%	0.22	12%	0.122	C	C	.	.			trans	-111.7	136.6	-178.7	-59.6	-179.8	79.5	0	0	109.8	H126 L133 K134	H126-E131 IonicContact CE1-OE1 3.38Å; H126-E131 IonicContact CG-OE1 2.74Å; H126-E131 IonicContact CG-OE2 2.64Å; H126-E131 IonicContact ND1-OE1 3.96Å; H126-E131 PolarHBondContact ND1-OE1 2.93Å; H126-E131 IonicContact ND1-OE2 3.96Å; H126-E131 PolarHBondContact ND1-OE2 3.45Å; E131-L133 PolarHBondContact O-N 2.9Å; E131-K134 HydrophobicContact CB-CB 3.89Å; E131-K134 HydrophobicContact CB-CD 3.94Å; E131-K134 HydrophobicContact CG-CD 4.23Å; E131-K134 WeakPolarHBondContact O-CB 3.05Å; E131-K134 PolarHBondContact O-N 3.3Å; E131-K134 VanDerWaalsContact OE2-CD 3.26Å; E131-K134 WeakPolarHBondContact OE2-CD 3.36Å; E131-K134 IonicContact OE2-NZ 3.71Å; E131-K134 PolarHBondContact OE2-NZ 2.93Å
132	L	95	Very high	96.8	Very high	95 Å²	95	24.2 Å²	24.2	50%	0.497	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	128.3	-178.6	-171.1	74.2	0	0	0	111.6	K134 V416 N454 D456	L132-K134 PolarHBondContact O-N 3.36Å; L132-V416 HydrophobicContact CD1-CG1 4.45Å; L132-V416 HydrophobicContact CD1-CG2 3.99Å; L132-V416 HydrophobicContact CD2-CG2 4.2Å; L132-V416 HydrophobicContact CG-CG2 4.16Å; L132-N454 HydrophobicContact CD1-CB 4.11Å; L132-D456 WeakPolarHBondContact CA-OD2 3.25Å; L132-D456 HydrophobicContact CD1-CB 3.86Å
133	L	97	Very high	96.8	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.089	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	6.4	-178	-59.8	166.2	0	0	0	115.9	E131 P135 K414 G415 V416 D456 W458	E131-L133 PolarHBondContact O-N 2.9Å; L133-P135 WeakPolarHBondContact O-CD 3.26Å; L133-K414 HydrophobicContact CB-CD 4.45Å; L133-K414 HydrophobicContact CD2-CG 4.34Å; L133-K414 PolarHBondContact O-NZ 3.04Å; L133-G415 VanDerWaalsContact CD2-C 3.49Å; L133-G415 WeakPolarHBondContact CD2-O 3.47Å; L133-V416 HydrophobicContact CD1-CG2 4.12Å; L133-V416 HydrophobicContact CD2-CG2 3.82Å; L133-V416 HydrophobicContact CG-CG2 3.97Å; L133-D456 HydrophobicContact CD2-CB 4.16Å; L133-D456 PolarHBondContact N-OD2 2.98Å; L133-W458 PolarHBondContact O-NE1 3.35Å
134	K	97.4	Very high	96.8	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.052	12%	0.124	C	C	.	.			trans	-90.4	109.6	171.8	-170.2	172.5	-177.6	165.9	0	109.3	S124 H130 E131 L132 I176 N177 I178 T179 R180 W458	S124-K134 WeakPolarHBondContact OG-CE 3.4Å; S124-K134 PolarHBondContact OG-NZ 3.24Å; H130-K134 PolarHBondContact CE1-O 3.44Å; E131-K134 HydrophobicContact CB-CB 3.89Å; E131-K134 HydrophobicContact CB-CD 3.94Å; E131-K134 HydrophobicContact CG-CD 4.23Å; E131-K134 WeakPolarHBondContact O-CB 3.05Å; E131-K134 PolarHBondContact O-N 3.3Å; E131-K134 VanDerWaalsContact OE2-CD 3.26Å; E131-K134 WeakPolarHBondContact OE2-CD 3.36Å; E131-K134 IonicContact OE2-NZ 3.71Å; E131-K134 PolarHBondContact OE2-NZ 2.93Å; L132-K134 PolarHBondContact O-N 3.36Å; K134-I176 PolarHBondContact NZ-O 2.95Å; K134-N177 WeakPolarHBondContact CE-O 3.24Å; K134-N177 PolarHBondContact NZ-O 3.27Å; K134-N177 VanDerWaalsContact NZ-O 3.13Å; K134-I178 WeakPolarHBondContact CG-O 3.47Å; K134-T179 WeakPolarHBondContact CE-O 3.46Å; K134-R180 HydrophobicContact CD-CB 4.41Å; K134-W458 VanDerWaalsContact C-CZ2 3.49Å; K134-W458 WeakPolarHBondContact O-CZ2 3.34Å
135	P	98.2	Very high	96.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.			trans	-66.2	146.2	-179.6	26.5	-34.3	0	0	0	111.9	L133 I178 R180 V268 V409 H410 W458	L133-P135 WeakPolarHBondContact O-CD 3.26Å; P135-I178 WeakPolarHBondContact CD-O 3.47Å; P135-R180 PolarHBondContact O-N 3.41Å; P135-V268 HydrophobicContact CB-CB 4.43Å; P135-V268 HydrophobicContact CB-CG2 3.99Å; P135-V409 HydrophobicContact CB-CG1 4.26Å; P135-V409 HydrophobicContact CB-CG2 3.59Å; P135-V409 HydrophobicContact CG-CG1 3.81Å; P135-V409 HydrophobicContact CG-CG2 4.1Å; P135-H410 VanDerWaalsContact CG-CE1 3.47Å; P135-H410 WeakPolarHBondContact CG-CE1 3.36Å; P135-W458 HydrophobicContact CB-CD2 4.39Å; P135-W458 HydrophobicContact CB-CG 4.28Å
136	E	98.5	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.4	171.7	-56.7	-72	-176.7	0	0	109.2	H130 R180 H182 I265 P266 F267 V268	H130-E136 WeakPolarHBondContact CB-OE1 3.4Å; H130-E136 IonicContact CE1-OE1 2.74Å; H130-E136 IonicContact CG-OE1 3.67Å; H130-E136 IonicContact ND1-OE1 2.94Å; H130-E136 PolarHBondContact ND1-OE1 3.49Å; E136-R180 WeakPolarHBondContact OE1-CD 3.46Å; E136-R180 IonicContact OE1-CZ 3.8Å; E136-R180 IonicContact OE1-NH1 3.82Å; E136-R180 PolarHBondContact OE1-NH1 2.92Å; E136-R180 WeakPolarHBondContact OE2-CB 3.38Å; E136-R180 WeakPolarHBondContact OE2-CD 3.27Å; E136-R180 WeakPolarHBondContact OE2-CG 3.3Å; E136-R180 IonicContact OE2-NE 3.08Å; E136-R180 IonicContact OE2-NH1 2.64Å; E136-H182 IonicContact OE2-CD2 2.65Å; E136-H182 IonicContact OE2-NE2 2.87Å; E136-H182 PolarHBondContact OE2-NE2 3.12Å; E136-H182 VanDerWaalsContact OE2-NE2 3.16Å; E136-I265 HydrophobicContact CB-CG2 3.77Å; E136-I265 HydrophobicContact CG-CG2 3.55Å; E136-P266 WeakPolarHBondContact CB-O 3.3Å; E136-P266 HydrophobicContact CG-CG 3.88Å; E136-F267 HydrophobicContact CB-CD1 3.84Å; E136-F267 HydrophobicContact CB-CE1 4.26Å; E136-V268 PolarHBondContact O-N 2.99Å
137	F	98.6	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.2	178.1	174.6	-81.8	0	0	0	109.6	Y139 T179 R180 I181 H182 L269 F405 M406 V409	F137-Y139 HydrophobicContact CE1-CD1 4.41Å; F137-Y139 AromaticContact CE1-CD2 3.44Å; F137-Y139 HydrophobicContact CE1-CD2 3.44Å; F137-Y139 VanDerWaalsContact CE1-CD2 3.44Å; F137-Y139 AromaticContact CE1-CE2 3.62Å; F137-Y139 HydrophobicContact CE1-CE2 3.62Å; F137-Y139 AromaticContact CE1-CG 3.83Å; F137-Y139 HydrophobicContact CE1-CG 3.83Å; F137-Y139 HydrophobicContact CZ-CD1 4.2Å; F137-Y139 AromaticContact CZ-CD2 3.81Å; F137-Y139 HydrophobicContact CZ-CD2 3.81Å; F137-Y139 HydrophobicContact CZ-CE1 4.04Å; F137-Y139 AromaticContact CZ-CE2 3.6Å; F137-Y139 HydrophobicContact CZ-CE2 3.6Å; F137-Y139 HydrophobicContact CZ-CG 4.07Å; F137-Y139 AromaticContact CZ-CZ 3.69Å; F137-T179 HydrophobicContact CB-CG2 3.85Å; F137-R180 PolarHBondContact N-O 2.93Å; F137-I181 HydrophobicContact CD1-CG2 4.14Å; F137-I181 CarbonylContact O-C 3.38Å; F137-I181 WeakPolarHBondContact O-CA 3.48Å; F137-H182 PolarHBondContact O-N 2.97Å; F137-L269 WeakPolarHBondContact CA-O 3.25Å; F137-L269 HydrophobicContact CD2-CB 3.99Å; F137-L269 HydrophobicContact CD2-CD2 4.07Å; F137-L269 HydrophobicContact CD2-CG 4.1Å; F137-L269 WeakPolarHBondContact CD2-O 3.29Å; F137-L269 HydrophobicContact CE2-CB 4.33Å; F137-L269 HydrophobicContact CE2-CD2 3.87Å; F137-L269 HydrophobicContact CE2-CG 3.93Å; F137-F405 AromaticContact CE2-CD1 3.7Å; F137-F405 HydrophobicContact CE2-CD1 3.7Å; F137-F405 AromaticContact CE2-CE1 3.71Å; F137-F405 HydrophobicContact CE2-CE1 3.71Å; F137-F405 AromaticContact CZ-CD1 3.76Å; F137-F405 HydrophobicContact CZ-CD1 3.76Å; F137-F405 AromaticContact CZ-CE1 3.94Å; F137-F405 HydrophobicContact CZ-CE1 3.94Å; F137-M406 HydrophobicContact CD1-CG 3.85Å; F137-M406 HydrophobicContact CD1-SD 4.37Å; F137-M406 HydrophobicContact CD2-CG 4.5Å; F137-M406 HydrophobicContact CE1-CG 3.47Å; F137-M406 VanDerWaalsContact CE1-CG 3.47Å; F137-M406 HydrophobicContact CE1-SD 4.18Å; F137-M406 HydrophobicContact CE2-CG 4.14Å; F137-M406 HydrophobicContact CG-CG 4.38Å; F137-M406 HydrophobicContact CZ-CB 4.47Å; F137-M406 HydrophobicContact CZ-CG 3.63Å; F137-V409 HydrophobicContact CB-CG2 4.38Å; F137-V409 HydrophobicContact CD2-CB 4.26Å
138	K	98.8	Very high	96.9	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.3	171	64.8	173.5	169.2	32.7	0	115.2	V140 H182 W261 F267 L269 S270 A271 N367 E375	K138-V140 HydrophobicContact CD-CG2 4.29Å; K138-H182 CarbonylContact C-O 3.55Å; K138-H182 WeakPolarHBondContact CA-O 3.3Å; K138-H182 HydrophobicContact CB-CB 4.18Å; K138-W261 HydrophobicContact CB-CH2 3.83Å; K138-W261 HydrophobicContact CB-CZ2 4.17Å; K138-W261 HydrophobicContact CD-CE3 4.25Å; K138-W261 HydrophobicContact CD-CH2 3.59Å; K138-W261 HydrophobicContact CD-CZ2 4.1Å; K138-W261 HydrophobicContact CD-CZ3 3.68Å; K138-W261 HydrophobicContact CG-CH2 4.34Å; K138-F267 HydrophobicContact CB-CD1 3.88Å; K138-F267 HydrophobicContact CB-CE1 3.58Å; K138-F267 HydrophobicContact CB-CZ 4.05Å; K138-F267 HydrophobicContact CD-CD1 4.05Å; K138-F267 HydrophobicContact CD-CD2 3.82Å; K138-F267 HydrophobicContact CD-CE1 4.03Å; K138-F267 HydrophobicContact CD-CE2 3.74Å; K138-F267 HydrophobicContact CD-CG 3.96Å; K138-F267 HydrophobicContact CD-CZ 3.87Å; K138-F267 HydrophobicContact CG-CD1 3.79Å; K138-F267 HydrophobicContact CG-CD2 4.44Å; K138-F267 HydrophobicContact CG-CE1 3.93Å; K138-F267 HydrophobicContact CG-CG 4.09Å; K138-F267 HydrophobicContact CG-CZ 4.29Å; K138-L269 PolarHBondContact N-O 2.73Å; K138-L269 VanDerWaalsContact N-O 3.17Å; K138-S270 WeakPolarHBondContact CG-OG 3.4Å; K138-S270 PolarHBondContact NZ-OG 2.04Å; K138-S270 VanDerWaalsContact O-CA 3.24Å; K138-S270 WeakPolarHBondContact O-CA 3.38Å; K138-S270 PolarHBondContact O-OG 3.26Å; K138-A271 PolarHBondContact O-N 3.34Å; K138-N367 PolarHBondContact NZ-OD1 3.35Å; K138-E375 IonicContact NZ-OE2 2.86Å; K138-E375 PolarHBondContact NZ-OE2 3.14Å
139	Y	98.9	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.9	159.5	-86.6	-58.2	0	0	0	109.6	F137 L154 L157 H182 L183 L184 A271 L273 L378 L402 F405 M406	F137-Y139 HydrophobicContact CE1-CD1 4.41Å; F137-Y139 AromaticContact CE1-CD2 3.44Å; F137-Y139 HydrophobicContact CE1-CD2 3.44Å; F137-Y139 VanDerWaalsContact CE1-CD2 3.44Å; F137-Y139 AromaticContact CE1-CE2 3.62Å; F137-Y139 HydrophobicContact CE1-CE2 3.62Å; F137-Y139 AromaticContact CE1-CG 3.83Å; F137-Y139 HydrophobicContact CE1-CG 3.83Å; F137-Y139 HydrophobicContact CZ-CD1 4.2Å; F137-Y139 AromaticContact CZ-CD2 3.81Å; F137-Y139 HydrophobicContact CZ-CD2 3.81Å; F137-Y139 HydrophobicContact CZ-CE1 4.04Å; F137-Y139 AromaticContact CZ-CE2 3.6Å; F137-Y139 HydrophobicContact CZ-CE2 3.6Å; F137-Y139 HydrophobicContact CZ-CG 4.07Å; F137-Y139 AromaticContact CZ-CZ 3.69Å; Y139-L154 HydrophobicContact CD2-CD2 4.01Å; Y139-L154 HydrophobicContact CG-CD2 3.92Å; Y139-L157 HydrophobicContact CD2-CD2 4.07Å; Y139-L157 HydrophobicContact CE2-CD2 4.19Å; Y139-H182 PolarHBondContact N-O 3.03Å; Y139-L183 HydrophobicContact CD2-CD2 3.91Å; Y139-L183 HydrophobicContact CG-CD2 4.43Å; Y139-L184 PolarHBondContact O-N 3.25Å; Y139-A271 WeakPolarHBondContact CA-O 3.24Å; Y139-A271 HydrophobicContact CD1-CB 3.68Å; Y139-A271 WeakPolarHBondContact CD1-O 3.36Å; Y139-A271 HydrophobicContact CE1-CB 3.42Å; Y139-A271 VanDerWaalsContact CE1-CB 3.42Å; Y139-L273 HydrophobicContact CD1-CD1 4.15Å; Y139-L273 HydrophobicContact CD1-CG 4.41Å; Y139-L378 HydrophobicContact CE1-CD1 4.23Å; Y139-L402 HydrophobicContact CD2-CD2 4.49Å; Y139-L402 HydrophobicContact CE1-CD2 3.94Å; Y139-L402 HydrophobicContact CE2-CB 4.4Å; Y139-L402 HydrophobicContact CE2-CD2 3.83Å; Y139-L402 WeakPolarHBondContact OH-CA 3.49Å; Y139-L402 PolarHBondContact OH-O 3.34Å; Y139-F405 AromaticContact CE1-CD1 3.98Å; Y139-F405 HydrophobicContact CE1-CD1 3.98Å; Y139-F405 HydrophobicContact CE1-CE1 4.32Å; Y139-F405 AromaticContact CZ-CD1 3.78Å; Y139-F405 WeakPolarHBondContact OH-CB 3.49Å; Y139-F405 WeakPolarHBondContact OH-CD1 3.24Å; Y139-M406 HydrophobicContact CD2-CG 4.5Å; Y139-M406 HydrophobicContact CE2-CG 3.81Å; Y139-M406 HydrophobicContact CE2-SD 4.29Å
140	V	98.9	Very high	97.5	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141	172.5	-176.9	0	0	0	0	108.3	K138 L184 M187 W261 A271 N272 L273 M363	K138-V140 HydrophobicContact CD-CG2 4.29Å; V140-L184 HydrophobicContact CG1-CD2 3.96Å; V140-L184 HydrophobicContact CG1-CG 4.36Å; V140-L184 HydrophobicContact CG2-CB 4.4Å; V140-L184 HydrophobicContact CG2-CD2 4.38Å; V140-M187 HydrophobicContact CG1-CB 3.98Å; V140-M187 HydrophobicContact CG1-SD 4.3Å; V140-W261 HydrophobicContact CG2-CH2 4.37Å; V140-W261 HydrophobicContact CG2-CZ3 3.82Å; V140-A271 PolarHBondContact N-O 2.98Å; V140-N272 HydrophobicContact CB-CB 4.36Å; V140-N272 CarbonylContact O-C 3.6Å; V140-N272 VanDerWaalsContact O-CA 3.25Å; V140-N272 WeakPolarHBondContact O-CA 3.3Å; V140-L273 PolarHBondContact O-N 3.16Å; V140-M363 HydrophobicContact CB-CE 4.06Å; V140-M363 HydrophobicContact CG1-CE 3.88Å; V140-M363 HydrophobicContact CG2-CE 4.45Å
141	A	98.8	Very high	97.7	Very high	1 Å²	1	9 Å²	9	1%	0.008	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.3	175.7	0	0	0	0	0	111.9	M143 G150 L154 L184 S186 M187 L273	A141-M143 VanDerWaalsContact C-N 3.25Å; A141-M143 PolarHBondContact O-N 3.06Å; A141-G150 VanDerWaalsContact CB-C 3.41Å; A141-L154 HydrophobicContact CB-CD1 3.66Å; A141-L154 HydrophobicContact CB-CG 4.17Å; A141-L184 PolarHBondContact N-O 2.99Å; A141-S186 WeakPolarHBondContact O-CA 3.44Å; A141-M187 PolarHBondContact O-N 2.98Å; A141-L273 HydrophobicContact CB-CB 3.93Å; A141-L273 HydrophobicContact CB-CD1 3.96Å
142	N	98.6	Very high	97.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.			trans	56.6	42.9	167.4	-177.7	-124.9	0	0	0	111.6	H144 G145 E147 R151 S186 N188 F192	N142-H144 VanDerWaalsContact C-N 3.29Å; N142-H144 PolarHBondContact ND2-O 3.3Å; N142-G145 VanDerWaalsContact ND2-C 3.33Å; N142-G145 WeakPolarHBondContact ND2-CA 3.43Å; N142-G145 PolarHBondContact ND2-O 3.29Å; N142-E147 WeakPolarHBondContact CB-O 3.24Å; N142-E147 PolarHBondContact ND2-O 2.9Å; N142-R151 HydrophobicContact CB-CB 3.84Å; N142-R151 PolarHBondContact OD1-NH1 3.45Å; N142-S186 WeakPolarHBondContact OD1-CB 3.04Å; N142-S186 PolarHBondContact OD1-OG 2.78Å; N142-N188 WeakPolarHBondContact O-CB 3.44Å; N142-N188 PolarHBondContact O-N 2.96Å; N142-F192 WeakPolarHBondContact OD1-CB 3.22Å
143	M	98.6	Very high	98.1	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.01	2%	0.016	C	C	.	.	S	Bend	trans	-73.2	-26.9	167.8	75.6	178.3	-56.3	0	0	111.5	A141 M187 N188 L216 N217 F220 H274 M363	A141-M143 VanDerWaalsContact C-N 3.25Å; A141-M143 PolarHBondContact O-N 3.06Å; M143-M187 HydrophobicContact CB-CB 4Å; M143-M187 HydrophobicContact CB-CG 4.12Å; M143-M187 HydrophobicContact CB-SD 3.65Å; M143-M187 HydrophobicContact CE-SD 4.16Å; M143-N188 WeakPolarHBondContact O-CB 3.3Å; M143-N188 PolarHBondContact O-ND2 2.87Å; M143-L216 HydrophobicContact CE-CB 4.11Å; M143-N217 VanDerWaalsContact CE-CA 3.45Å; M143-N217 HydrophobicContact CE-CB 3.37Å; M143-N217 HydrophobicContact SD-CB 3.81Å; M143-F220 HydrophobicContact CE-CE2 4.29Å; M143-H274 WeakPolarHBondContact CG-CE1 3.33Å; M143-H274 VanDerWaalsContact CG-NE2 3.35Å; M143-H274 WeakPolarHBondContact CG-NE2 3.49Å; M143-H274 PolarHBondContact SD-CE1 2.89Å; M143-H274 PolarHBondContact SD-NE2 3.38Å; M143-M363 HydrophobicContact CE-CB 4.14Å; M143-M363 HydrophobicContact CE-CE 4.43Å; M143-M363 HydrophobicContact SD-CE 4.02Å
144	H	98.4	Very high	98.1	Very high	4 Å²	4	2.4 Å²	2.4	2%	0.019	1%	0.011	C	C	.	.	S	Bend	trans	-94.7	122.3	155.7	-58.1	134.3	0	0	0	108.9	N142 N146 E147 R208 D215 H274	N142-H144 VanDerWaalsContact C-N 3.29Å; N142-H144 PolarHBondContact ND2-O 3.3Å; H144-N146 VanDerWaalsContact C-N 3.28Å; H144-N146 PolarHBondContact O-N 3.44Å; H144-E147 HydrophobicContact CB-CB 4.03Å; H144-E147 VanDerWaalsContact CB-CD 3.41Å; H144-E147 HydrophobicContact CB-CG 3.88Å; H144-E147 WeakPolarHBondContact CB-OE1 3.29Å; H144-E147 IonicContact CE1-OE1 3.5Å; H144-E147 IonicContact CE1-OE2 2.95Å; H144-E147 IonicContact CG-OE1 3.59Å; H144-E147 IonicContact CG-OE2 3.75Å; H144-E147 IonicContact ND1-OE1 2.88Å; H144-E147 PolarHBondContact ND1-OE1 3.07Å; H144-E147 IonicContact ND1-OE2 2.79Å; H144-E147 PolarHBondContact ND1-OE2 3.28Å; H144-E147 WeakPolarHBondContact O-CB 3.25Å; H144-E147 PolarHBondContact O-N 2.88Å; H144-R208 VanDerWaalsContact CA-O 3.25Å; H144-R208 WeakPolarHBondContact CA-O 3.04Å; H144-R208 HydrophobicContact CB-CG 3.91Å; H144-R208 PolarHBondContact CE1-NH1 2.85Å; H144-R208 PolarHBondContact CE1-NH2 3.21Å; H144-R208 PolarHBondContact ND1-NH1 2.8Å; H144-R208 VanDerWaalsContact NE2-CZ 3.27Å; H144-R208 PolarHBondContact NE2-NH2 3.26Å; H144-D215 IonicContact CD2-OD1 3.46Å; H144-D215 IonicContact NE2-OD1 2.67Å; H144-D215 PolarHBondContact NE2-OD1 3.17Å; H144-D215 VanDerWaalsContact NE2-OD1 3.08Å; H144-D215 IonicContact NE2-OD2 3.14Å; H144-H274 AromaticContact CE1-CE1 3.32Å; H144-H274 PolarHBondContact CE1-CE1 3.01Å; H144-H274 AromaticContact CE1-ND1 3.55Å; H144-H274 AromaticContact ND1-CE1 3.34Å; H144-H274 PolarHBondContact ND1-CE1 2.82Å; H144-H274 VanDerWaalsContact ND1-CE1 3.34Å; H144-H274 AromaticContact ND1-ND1 3.27Å; H144-H274 PolarHBondContact ND1-ND1 3.09Å
145	G	97.6	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.5	-169.6	0	0	0	0	0	114.6	N142 E147 N188 F192 G207 R208	N142-G145 VanDerWaalsContact ND2-C 3.33Å; N142-G145 WeakPolarHBondContact ND2-CA 3.43Å; N142-G145 PolarHBondContact ND2-O 3.29Å; G145-E147 VanDerWaalsContact C-N 3.32Å; G145-N188 PolarHBondContact N-ND2 3.12Å; G145-F192 VanDerWaalsContact O-CA 3.27Å; G145-F192 WeakPolarHBondContact O-CA 3.43Å; G145-F192 WeakPolarHBondContact O-CD2 3.34Å; G145-G207 CarbonylContact C-O 3.59Å; G145-G207 WeakPolarHBondContact CA-O 3.2Å; G145-G207 PolarHBondContact N-O 3.48Å; G145-R208 PolarHBondContact N-O 2.86Å; G145-R208 VanDerWaalsContact N-O 3.17Å
146	N	96.7	Very high	98.2	Very high	4 Å²	4	3.5 Å²	3.5	2%	0.021	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.6	175.9	70.4	-33.3	0	0	0	114.7	H144 A148 A195 K203 W204 V206 G207 R208 K384	H144-N146 VanDerWaalsContact C-N 3.28Å; H144-N146 PolarHBondContact O-N 3.44Å; N146-A148 PolarHBondContact O-N 2.97Å; N146-A195 HydrophobicContact CB-CB 3.74Å; N146-K203 PolarHBondContact ND2-O 2.89Å; N146-W204 VanDerWaalsContact ND2-C 3.3Å; N146-W204 PolarHBondContact ND2-O 2.68Å; N146-V206 VanDerWaalsContact CB-O 3.31Å; N146-V206 WeakPolarHBondContact CB-O 3.31Å; N146-G207 PolarHBondContact N-O 3.17Å; N146-G207 VanDerWaalsContact N-O 3.17Å; N146-R208 VanDerWaalsContact OD1-CA 3.28Å; N146-R208 WeakPolarHBondContact OD1-CA 3.46Å; N146-R208 WeakPolarHBondContact OD1-CB 3.15Å; N146-K384 CarbonylContact O-C 3.57Å; N146-K384 VanDerWaalsContact O-C 3.29Å; N146-K384 VanDerWaalsContact O-CB 3.31Å; N146-K384 WeakPolarHBondContact O-CB 3.06Å; N146-K384 VanDerWaalsContact O-O 3.14Å
147	E	97.4	Very high	98.2	Very high	3 Å²	3	3.5 Å²	3.5	1%	0.014	2%	0.016	C	C	.	.			trans	-92.8	89.4	173.3	-69.5	170.1	-151.8	0	0	106.6	N142 H144 G145 R208 H274 E275 K384	N142-E147 WeakPolarHBondContact CB-O 3.24Å; N142-E147 PolarHBondContact ND2-O 2.9Å; H144-E147 HydrophobicContact CB-CB 4.03Å; H144-E147 VanDerWaalsContact CB-CD 3.41Å; H144-E147 HydrophobicContact CB-CG 3.88Å; H144-E147 WeakPolarHBondContact CB-OE1 3.29Å; H144-E147 IonicContact CE1-OE1 3.5Å; H144-E147 IonicContact CE1-OE2 2.95Å; H144-E147 IonicContact CG-OE1 3.59Å; H144-E147 IonicContact CG-OE2 3.75Å; H144-E147 IonicContact ND1-OE1 2.88Å; H144-E147 PolarHBondContact ND1-OE1 3.07Å; H144-E147 IonicContact ND1-OE2 2.79Å; H144-E147 PolarHBondContact ND1-OE2 3.28Å; H144-E147 WeakPolarHBondContact O-CB 3.25Å; H144-E147 PolarHBondContact O-N 2.88Å; G145-E147 VanDerWaalsContact C-N 3.32Å; E147-R208 IonicContact OE1-NH1 3.34Å; E147-R208 PolarHBondContact OE1-NH1 2.94Å; E147-H274 IonicContact OE2-CE1 2.57Å; E147-H274 IonicContact OE2-CG 2.79Å; E147-H274 IonicContact OE2-ND1 3.61Å; E147-H274 PolarHBondContact OE2-ND1 3.26Å; E147-E275 WeakPolarHBondContact CA-OE2 3.21Å; E147-E275 HydrophobicContact CB-CB 4.29Å; E147-E275 WeakPolarHBondContact CB-OE2 3.4Å; E147-E275 HydrophobicContact CG-CB 4.15Å; E147-E275 WeakPolarHBondContact CG-O 3.15Å; E147-E275 PolarHBondContact OE2-N 3.45Å; E147-K384 HydrophobicContact CG-CB 4.06Å; E147-K384 HydrophobicContact CG-CD 3.79Å; E147-K384 HydrophobicContact CG-CG 4.03Å; E147-K384 IonicContact OE1-NZ 3.49Å; E147-K384 PolarHBondContact OE1-NZ 2.9Å
148	A	96.4	Very high	98.2	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.			trans	-103.3	-10	-164.1	0	0	0	0	0	114.8	Y83 N146 E152 F192 E275 K384 M385	Y83-A148 HydrophobicContact CD1-CB 4.08Å; Y83-A148 HydrophobicContact CE1-CB 3.47Å; Y83-A148 VanDerWaalsContact CE1-CB 3.47Å; N146-A148 PolarHBondContact O-N 2.97Å; A148-E152 PolarHBondContact O-N 3.4Å; A148-F192 HydrophobicContact CB-CD2 4.34Å; A148-F192 HydrophobicContact CB-CE2 3.87Å; A148-E275 PolarHBondContact N-OE2 2.9Å; A148-K384 PolarHBondContact N-O 2.77Å; A148-M385 HydrophobicContact CB-CB 4.41Å; A148-M385 HydrophobicContact CB-CE 4.11Å; A148-M385 HydrophobicContact CB-CG 3.96Å
149	I	97.3	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-68.7	-48.6	-176.6	-56.3	178.2	0	0	0	109.5	R151 E152 L153 E275 L380 P386 H394	I149-R151 PolarHBondContact O-N 2.99Å; I149-E152 PolarHBondContact O-N 3.14Å; I149-E152 VanDerWaalsContact O-N 3.16Å; I149-L153 HydrophobicContact CG2-CD1 3.99Å; I149-L153 HydrophobicContact CG2-CG 4.05Å; I149-L153 WeakPolarHBondContact O-CG 3.02Å; I149-L153 PolarHBondContact O-N 2.86Å; I149-E275 HydrophobicContact CB-CG 3.84Å; I149-E275 VanDerWaalsContact CB-OE1 3.29Å; I149-E275 WeakPolarHBondContact CB-OE1 3.27Å; I149-E275 HydrophobicContact CD1-CG 3.74Å; I149-E275 HydrophobicContact CG1-CG 3.82Å; I149-E275 PolarHBondContact N-OE1 3.05Å; I149-E275 PolarHBondContact N-OE2 3.18Å; I149-L380 HydrophobicContact CG2-CB 4.32Å; I149-L380 HydrophobicContact CG2-CD1 4.25Å; I149-P386 HydrophobicContact CD1-CG 3.76Å; I149-P386 HydrophobicContact CG1-CG 3.87Å; I149-H394 HydrophobicContact CG2-CB 3.86Å
150	G	98.2	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-54.5	-40.2	177.8	0	0	0	0	0	113	A141 L153 L154 E275	A141-G150 VanDerWaalsContact CB-C 3.41Å; G150-L153 PolarHBondContact O-N 2.78Å; G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 3.03Å; G150-E275 PolarHBondContact N-OE1 3.29Å
151	R	98.5	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.2	-53.6	176.1	177.9	-176.1	176.8	107.6	-2.5	111.7	H84 N85 N86 L89 N142 I149 L154 L155 P185 S186	H84-R151 PolarHBondContact O-NE 2.95Å; H84-R151 PolarHBondContact O-NH2 2.88Å; N85-R151 PolarHBondContact O-NH2 2.63Å; N86-R151 PolarHBondContact OD1-NH1 3.3Å; N86-R151 PolarHBondContact OD1-NH2 3.49Å; L89-R151 HydrophobicContact CD1-CG 4.25Å; L89-R151 VanDerWaalsContact CD1-NH2 3.29Å; N142-R151 HydrophobicContact CB-CB 3.84Å; N142-R151 PolarHBondContact OD1-NH1 3.45Å; I149-R151 PolarHBondContact O-N 2.99Å; R151-L154 PolarHBondContact O-N 3.08Å; R151-L155 WeakPolarHBondContact O-CG 3.46Å; R151-L155 PolarHBondContact O-N 2.78Å; R151-P185 VanDerWaalsContact CA-O 3.28Å; R151-P185 WeakPolarHBondContact CA-O 3.48Å; R151-P185 WeakPolarHBondContact CB-O 3.22Å; R151-P185 WeakPolarHBondContact CG-O 3.34Å; R151-S186 PolarHBondContact NH1-OG 3.07Å
152	E	98.3	Very high	98.1	Very high	17 Å²	17	7.1 Å²	7.1	8%	0.079	3%	0.031	C	C	.	.	H	α-helix	trans	-71.3	-32.9	-177.7	-58.1	-53.9	153.1	0	0	112.2	Y83 H84 A148 I149 L155 R156 L391	Y83-E152 VanDerWaalsContact CA-OE1 3.31Å; Y83-E152 WeakPolarHBondContact CA-OE1 3.38Å; Y83-E152 HydrophobicContact CD1-CG 3.55Å; Y83-E152 HydrophobicContact CE1-CG 3.97Å; Y83-E152 HydrophobicContact CG-CG 4.5Å; H84-E152 IonicContact CE1-OE2 3.85Å; H84-E152 IonicContact CG-OE2 3.4Å; H84-E152 PolarHBondContact N-OE1 2.86Å; H84-E152 IonicContact ND1-OE2 3.08Å; H84-E152 PolarHBondContact ND1-OE2 2.91Å; A148-E152 PolarHBondContact O-N 3.4Å; I149-E152 PolarHBondContact O-N 3.14Å; I149-E152 VanDerWaalsContact O-N 3.16Å; E152-L155 PolarHBondContact O-N 2.78Å; E152-R156 WeakPolarHBondContact O-CB 3.38Å; E152-R156 PolarHBondContact O-N 3.42Å; E152-L391 HydrophobicContact CG-CD2 4.5Å
153	L	98.4	Very high	98	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-63.2	-41	173.4	-71.4	-176.6	0	0	0	112.3	I149 G150 R156 L157 L380 W395 N398 L402	I149-L153 HydrophobicContact CG2-CD1 3.99Å; I149-L153 HydrophobicContact CG2-CG 4.05Å; I149-L153 WeakPolarHBondContact O-CG 3.02Å; I149-L153 PolarHBondContact O-N 2.86Å; G150-L153 PolarHBondContact O-N 2.78Å; L153-R156 PolarHBondContact O-N 3.35Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.3Å; L153-L380 HydrophobicContact CD1-CD1 3.56Å; L153-W395 VanDerWaalsContact CD2-CA 3.47Å; L153-W395 HydrophobicContact CD2-CB 4.11Å; L153-W395 HydrophobicContact CD2-CE3 3.99Å; L153-N398 HydrophobicContact CD1-CB 3.8Å; L153-N398 HydrophobicContact CD2-CB 4.34Å; L153-L402 HydrophobicContact CB-CD1 4.32Å; L153-L402 HydrophobicContact CD1-CD1 4.38Å
154	L	98.7	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-69.1	-35.2	178.1	-69.5	-166.9	0	0	0	112.3	Y139 A141 G150 R151 L157 A158 L183 L184 P185 L273	Y139-L154 HydrophobicContact CD2-CD2 4.01Å; Y139-L154 HydrophobicContact CG-CD2 3.92Å; A141-L154 HydrophobicContact CB-CD1 3.66Å; A141-L154 HydrophobicContact CB-CG 4.17Å; G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 3.03Å; R151-L154 PolarHBondContact O-N 3.08Å; L154-L157 HydrophobicContact CD2-CD2 4.13Å; L154-L157 PolarHBondContact O-N 3.17Å; L154-A158 PolarHBondContact O-N 3.29Å; L154-L183 HydrophobicContact CD2-CD2 4.37Å; L154-L184 WeakPolarHBondContact CD1-O 3.39Å; L154-P185 HydrophobicContact CB-CB 4.08Å; L154-P185 HydrophobicContact CB-CG 4.35Å; L154-L273 HydrophobicContact CD1-CD1 3.86Å; L154-L273 HydrophobicContact CD2-CD1 3.6Å; L154-L273 HydrophobicContact CG-CD1 3.62Å
155	L	98.5	Very high	98	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	5%	0.052	C	C	.	.	H	α-helix	trans	-63.3	-48.3	171.3	-66.2	174.2	0	0	0	111.3	H84 L89 V92 L93 R151 E152 L157 A158 E159 P185	H84-L155 HydrophobicContact CB-CD1 4Å; L89-L155 HydrophobicContact CB-CD1 4.43Å; L89-L155 HydrophobicContact CD1-CD1 4.45Å; L89-L155 HydrophobicContact CG-CD1 4.17Å; L89-L155 HydrophobicContact CG-CD2 3.92Å; V92-L155 HydrophobicContact CB-CD2 4.37Å; V92-L155 HydrophobicContact CG1-CB 4.27Å; V92-L155 HydrophobicContact CG1-CD2 4.09Å; L93-L155 HydrophobicContact CD2-CD2 3.66Å; L93-L155 HydrophobicContact CG-CD2 4.14Å; R151-L155 WeakPolarHBondContact O-CG 3.46Å; R151-L155 PolarHBondContact O-N 2.78Å; E152-L155 PolarHBondContact O-N 2.78Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.87Å; L155-A158 WeakPolarHBondContact O-CB 3.5Å; L155-A158 PolarHBondContact O-N 2.8Å; L155-E159 PolarHBondContact O-N 3.26Å; L155-E159 VanDerWaalsContact O-N 3.15Å; L155-P185 HydrophobicContact CD2-CB 4.16Å; L155-P185 HydrophobicContact CD2-CG 4.05Å; L155-P185 HydrophobicContact CG-CB 4.28Å
156	R	97.9	Very high	98	Very high	31 Å²	31	16.1 Å²	16.1	12%	0.117	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-34.5	177.9	-170.8	58.6	-179.7	152.1	4.9	112.5	Y81 E152 L153 E159 Y160 W395	Y81-R156 HydrophobicContact CE1-CG 4.41Å; E152-R156 WeakPolarHBondContact O-CB 3.38Å; E152-R156 PolarHBondContact O-N 3.42Å; L153-R156 PolarHBondContact O-N 3.35Å; R156-E159 VanDerWaalsContact CD-OE2 3.3Å; R156-E159 WeakPolarHBondContact CD-OE2 3.14Å; R156-E159 IonicContact CZ-OE2 3.48Å; R156-E159 IonicContact NE-OE2 3.72Å; R156-E159 IonicContact NH1-OE2 3.71Å; R156-E159 PolarHBondContact NH1-OE2 3.49Å; R156-E159 PolarHBondContact O-N 2.71Å; R156-Y160 VanDerWaalsContact O-CB 3.3Å; R156-Y160 WeakPolarHBondContact O-CB 3.26Å; R156-Y160 PolarHBondContact O-N 3Å; R156-W395 HydrophobicContact CB-CD2 4.14Å; R156-W395 HydrophobicContact CB-CE3 3.77Å; R156-W395 HydrophobicContact CB-CZ3 4Å; R156-W395 HydrophobicContact CG-CD2 3.39Å; R156-W395 HydrophobicContact CG-CE3 3.53Å; R156-W395 HydrophobicContact CG-CG 3.89Å; R156-W395 HydrophobicContact CG-CH2 4.09Å; R156-W395 HydrophobicContact CG-CZ2 3.96Å; R156-W395 HydrophobicContact CG-CZ3 3.89Å
157	L	98.4	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-42.8	174.6	-177.7	61.9	0	0	0	111.3	Y139 L153 L154 L155 Y160 L161 L183 W395 L402 L403 M406	Y139-L157 HydrophobicContact CD2-CD2 4.07Å; Y139-L157 HydrophobicContact CE2-CD2 4.19Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 PolarHBondContact O-N 3.3Å; L154-L157 HydrophobicContact CD2-CD2 4.13Å; L154-L157 PolarHBondContact O-N 3.17Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.87Å; L157-Y160 PolarHBondContact O-N 3.48Å; L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CG-CD1 4.13Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.22Å; L157-L161 PolarHBondContact O-N 3.24Å; L157-L183 HydrophobicContact CD2-CD1 4.24Å; L157-L183 HydrophobicContact CD2-CD2 4.14Å; L157-L183 HydrophobicContact CG-CD1 4.29Å; L157-W395 HydrophobicContact CB-CH2 4.4Å; L157-W395 HydrophobicContact CB-CZ3 4.1Å; L157-W395 HydrophobicContact CD1-CH2 4.27Å; L157-L402 HydrophobicContact CD2-CB 4.47Å; L157-L403 HydrophobicContact CD1-CD2 4.12Å; L157-M406 HydrophobicContact CD1-CE 4.12Å; L157-M406 HydrophobicContact CD2-CE 4.17Å
158	A	98.6	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-45.7	176.2	0	0	0	0	0	111.6	V96 I121 F123 L154 L155 C162 L183	V96-A158 HydrophobicContact CG1-CB 4.25Å; V96-A158 HydrophobicContact CG2-CB 4.27Å; I121-A158 HydrophobicContact CG2-CB 4.05Å; F123-A158 HydrophobicContact CE2-CB 4.01Å; F123-A158 HydrophobicContact CZ-CB 4.08Å; F123-A158 VanDerWaalsContact CZ-O 3.28Å; F123-A158 WeakPolarHBondContact CZ-O 3.48Å; L154-A158 PolarHBondContact O-N 3.29Å; L155-A158 WeakPolarHBondContact O-CB 3.5Å; L155-A158 PolarHBondContact O-N 2.8Å; A158-C162 PolarHBondContact O-N 3.19Å; A158-L183 HydrophobicContact CB-CD1 4.11Å
159	E	98	Very high	98.1	Very high	42 Å²	42	33.5 Å²	33.5	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-48.1	173.8	-62.3	-174.9	131.4	0	0	112	V92 V96 L155 R156 L161 C162 E163	V92-E159 HydrophobicContact CG1-CG 4.45Å; V96-E159 HydrophobicContact CG2-CB 4.43Å; V96-E159 HydrophobicContact CG2-CG 3.75Å; L155-E159 PolarHBondContact O-N 3.26Å; L155-E159 VanDerWaalsContact O-N 3.15Å; R156-E159 VanDerWaalsContact CD-OE2 3.3Å; R156-E159 WeakPolarHBondContact CD-OE2 3.14Å; R156-E159 IonicContact CZ-OE2 3.48Å; R156-E159 IonicContact NE-OE2 3.72Å; R156-E159 IonicContact NH1-OE2 3.71Å; R156-E159 PolarHBondContact NH1-OE2 3.49Å; R156-E159 PolarHBondContact O-N 2.71Å; E159-L161 PolarHBondContact O-N 2.9Å; E159-C162 PolarHBondContact O-N 3.39Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 VanDerWaalsContact O-CG 3.3Å; E159-E163 WeakPolarHBondContact O-CG 3.34Å; E159-E163 PolarHBondContact O-N 3.47Å
160	Y	98.2	Very high	98.1	Very high	38 Å²	38	38.2 Å²	38.2	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-44.9	-178.9	178.6	-91.9	0	0	0	112.3	R156 L157 C162 E163 M164 V172 W395 L403	R156-Y160 VanDerWaalsContact O-CB 3.3Å; R156-Y160 WeakPolarHBondContact O-CB 3.26Å; R156-Y160 PolarHBondContact O-N 3Å; L157-Y160 PolarHBondContact O-N 3.48Å; Y160-C162 VanDerWaalsContact C-N 3.33Å; Y160-C162 PolarHBondContact O-N 3.3Å; Y160-E163 PolarHBondContact O-N 2.98Å; Y160-M164 HydrophobicContact CD1-CG 4.03Å; Y160-M164 HydrophobicContact CD2-CG 3.98Å; Y160-M164 HydrophobicContact CE1-CG 3.67Å; Y160-M164 HydrophobicContact CE2-CG 3.63Å; Y160-M164 HydrophobicContact CE2-SD 4Å; Y160-M164 HydrophobicContact CG-CG 4.18Å; Y160-M164 VanDerWaalsContact CZ-CG 3.48Å; Y160-M164 WeakPolarHBondContact O-CB 3.34Å; Y160-M164 VanDerWaalsContact O-CG 3.22Å; Y160-M164 WeakPolarHBondContact O-CG 3.39Å; Y160-M164 PolarHBondContact O-N 3.35Å; Y160-V172 HydrophobicContact CE1-CG2 4.43Å; Y160-W395 HydrophobicContact CD1-CH2 4.45Å; Y160-W395 HydrophobicContact CD2-CH2 4.45Å; Y160-W395 AromaticContact CD2-CZ2 3.79Å; Y160-W395 HydrophobicContact CD2-CZ2 3.79Å; Y160-W395 AromaticContact CG-CH2 3.97Å; Y160-W395 HydrophobicContact CG-CH2 3.97Å; Y160-W395 AromaticContact CG-CZ2 3.77Å; Y160-W395 HydrophobicContact CG-CZ2 3.77Å; Y160-L403 HydrophobicContact CD1-CD1 4.47Å; Y160-L403 HydrophobicContact CD1-CD2 4.3Å; Y160-L403 HydrophobicContact CE1-CD1 3.59Å; Y160-L403 HydrophobicContact CE1-CD2 3.98Å; Y160-L403 HydrophobicContact CE1-CG 4.34Å
161	L	98.6	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-45.6	177.4	-74.1	174.8	0	0	0	110.9	F123 L157 E159 Y165 V172 I176 L183 L403 M406	F123-L161 HydrophobicContact CD1-CB 4.05Å; F123-L161 HydrophobicContact CD2-CD1 4.18Å; F123-L161 HydrophobicContact CE1-CB 3.74Å; F123-L161 HydrophobicContact CE2-CD1 4.33Å; F123-L161 HydrophobicContact CG-CD1 4.27Å; F123-L161 HydrophobicContact CZ-CB 4.07Å; L157-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CG-CD1 4.13Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.22Å; L157-L161 PolarHBondContact O-N 3.24Å; E159-L161 PolarHBondContact O-N 2.9Å; L161-Y165 WeakPolarHBondContact O-CB 3.23Å; L161-Y165 PolarHBondContact O-N 2.88Å; L161-V172 HydrophobicContact CD2-CG1 4.01Å; L161-I176 HydrophobicContact CB-CD1 4.48Å; L161-L183 HydrophobicContact CD1-CD1 4.41Å; L161-L403 HydrophobicContact CD2-CD2 4.13Å; L161-M406 HydrophobicContact CD2-CE 4.36Å
162	C	98.4	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-47.3	176.6	174.9	0	0	0	0	112.4	V96 R99 C100 F123 A158 E159 Y160 Y165 N166	V96-C162 HydrophobicContact CG1-CB 3.96Å; R99-C162 VanDerWaalsContact CB-SG 3.59Å; C100-C162 HydrophobicContact CB-CB 3.88Å; C100-C162 WeakPolarHBondContact CB-SG 3.44Å; C100-C162 WeakPolarHBondContact SG-CA 3.35Å; C100-C162 WeakPolarHBondContact SG-CB 3.37Å; C100-C162 PolarHBondContact SG-O 2.82Å; C100-C162 VanDerWaalsContact SG-O 3.35Å; C100-C162 CovalentContact SG-SG 2.04Å; C100-C162 PolarHBondContact SG-SG 2.88Å; F123-C162 HydrophobicContact CE1-CB 4.23Å; A158-C162 PolarHBondContact O-N 3.19Å; E159-C162 PolarHBondContact O-N 3.39Å; Y160-C162 VanDerWaalsContact C-N 3.33Å; Y160-C162 PolarHBondContact O-N 3.3Å; C162-Y165 PolarHBondContact O-N 3.46Å; C162-N166 WeakPolarHBondContact O-CB 3.49Å; C162-N166 PolarHBondContact O-N 3.19Å
163	E	97.6	Very high	97.9	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.15	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-50.5	179.3	-76	167	-160.9	0	0	112	R99 E159 Y160 Y165 N166 Q167	R99-E163 IonicContact NH1-OE1 3.89Å; R99-E163 PolarHBondContact NH1-OE1 2.95Å; R99-E163 VanDerWaalsContact NH1-OE1 3.14Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 VanDerWaalsContact O-CG 3.3Å; E159-E163 WeakPolarHBondContact O-CG 3.34Å; E159-E163 PolarHBondContact O-N 3.47Å; Y160-E163 PolarHBondContact O-N 2.98Å; E163-Y165 VanDerWaalsContact C-N 3.32Å; E163-Y165 PolarHBondContact O-N 3.4Å; E163-N166 PolarHBondContact O-N 3.18Å; E163-Q167 WeakPolarHBondContact O-CB 3.46Å; E163-Q167 VanDerWaalsContact O-CG 3.27Å; E163-Q167 WeakPolarHBondContact O-CG 3.35Å; E163-Q167 PolarHBondContact O-N 3.26Å
164	M	98.1	Very high	97.9	Very high	31 Å²	31	45.7 Å²	45.7	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-69.1	-32	-179.1	-63.3	-55.5	-71.7	0	0	111.9	Y160 Q167 R168 N169 V172	Y160-M164 HydrophobicContact CD1-CG 4.03Å; Y160-M164 HydrophobicContact CD2-CG 3.98Å; Y160-M164 HydrophobicContact CE1-CG 3.67Å; Y160-M164 HydrophobicContact CE2-CG 3.63Å; Y160-M164 HydrophobicContact CE2-SD 4Å; Y160-M164 HydrophobicContact CG-CG 4.18Å; Y160-M164 VanDerWaalsContact CZ-CG 3.48Å; Y160-M164 WeakPolarHBondContact O-CB 3.34Å; Y160-M164 VanDerWaalsContact O-CG 3.22Å; Y160-M164 WeakPolarHBondContact O-CG 3.39Å; Y160-M164 PolarHBondContact O-N 3.35Å; M164-Q167 PolarHBondContact O-N 3.07Å; M164-R168 PolarHBondContact O-N 3.11Å; M164-N169 HydrophobicContact CB-CB 3.97Å; M164-N169 HydrophobicContact CE-CB 3.81Å; M164-N169 VanDerWaalsContact CE-ND2 3.3Å; M164-N169 WeakPolarHBondContact CE-ND2 3.33Å; M164-N169 VanDerWaalsContact O-CB 3.27Å; M164-N169 WeakPolarHBondContact O-CB 3.49Å; M164-N169 PolarHBondContact O-N 3.04Å; M164-V172 HydrophobicContact CB-CB 4Å; M164-V172 HydrophobicContact CB-CG1 4.07Å; M164-V172 HydrophobicContact CB-CG2 3.72Å; M164-V172 HydrophobicContact CG-CG2 4.42Å
165	Y	97.8	Very high	97.8	Very high	41 Å²	41	45.7 Å²	45.7	16%	0.161	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-50.6	171.1	-174.8	-89.9	0	0	0	110.7	V103 L161 C162 E163 Q167 R168 Q173 I176	V103-Y165 HydrophobicContact CB-CE1 4.49Å; V103-Y165 HydrophobicContact CG1-CE1 3.77Å; V103-Y165 HydrophobicContact CG1-CE2 3.93Å; V103-Y165 VanDerWaalsContact CG1-CZ 3.41Å; V103-Y165 WeakPolarHBondContact CG1-OH 3.47Å; V103-Y165 HydrophobicContact CG2-CD1 3.93Å; V103-Y165 HydrophobicContact CG2-CE1 3.93Å; V103-Y165 HydrophobicContact CG2-CE2 4.5Å; V103-Y165 HydrophobicContact CG2-CG 4.25Å; L161-Y165 WeakPolarHBondContact O-CB 3.23Å; L161-Y165 PolarHBondContact O-N 2.88Å; C162-Y165 PolarHBondContact O-N 3.46Å; E163-Y165 VanDerWaalsContact C-N 3.32Å; E163-Y165 PolarHBondContact O-N 3.4Å; Y165-Q167 VanDerWaalsContact C-N 3.27Å; Y165-Q167 PolarHBondContact O-N 3.14Å; Y165-R168 WeakPolarHBondContact O-CA 3.35Å; Y165-R168 PolarHBondContact O-N 2.89Å; Y165-Q173 VanDerWaalsContact CD2-CD 3.46Å; Y165-Q173 HydrophobicContact CD2-CG 4.24Å; Y165-Q173 HydrophobicContact CE2-CG 4.43Å; Y165-Q173 VanDerWaalsContact CZ-NE2 3.34Å; Y165-Q173 PolarHBondContact O-NE2 3.33Å; Y165-I176 HydrophobicContact CD2-CB 4.27Å; Y165-I176 HydrophobicContact CD2-CD1 3.73Å; Y165-I176 HydrophobicContact CD2-CG2 4.25Å; Y165-I176 HydrophobicContact CE2-CB 4.41Å; Y165-I176 HydrophobicContact CE2-CG2 4.09Å; Y165-I176 HydrophobicContact CG-CD1 4.23Å
166	N	97.2	Very high	97.8	Very high	90 Å²	90	45.5 Å²	45.5	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-33.4	178.1	-78.2	-20.3	0	0	0	112.8	R99 C100 C162 E163 R168	R99-N166 PolarHBondContact O-ND2 3.3Å; C100-N166 PolarHBondContact SG-ND2 3.44Å; C162-N166 WeakPolarHBondContact O-CB 3.49Å; C162-N166 PolarHBondContact O-N 3.19Å; E163-N166 PolarHBondContact O-N 3.18Å; N166-R168 PolarHBondContact O-N 3.17Å
167	Q	97.5	Very high	97.8	Very high	123 Å²	123	46.9 Å²	46.9	58%	0.575	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	1	172.4	-68.1	175.7	27.6	0	0	113.9	E163 M164 Y165 N169	E163-Q167 WeakPolarHBondContact O-CB 3.46Å; E163-Q167 VanDerWaalsContact O-CG 3.27Å; E163-Q167 WeakPolarHBondContact O-CG 3.35Å; E163-Q167 PolarHBondContact O-N 3.26Å; M164-Q167 PolarHBondContact O-N 3.07Å; Y165-Q167 VanDerWaalsContact C-N 3.27Å; Y165-Q167 PolarHBondContact O-N 3.14Å; Q167-N169 VanDerWaalsContact C-N 3.27Å; Q167-N169 PolarHBondContact O-N 3.43Å
168	R	97.3	Very high	97.8	Very high	206 Å²	206	48.2 Å²	48.2	78%	0.777	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	36.8	-178	-54.7	-176.2	176.8	-156.3	-2.7	113.4	M164 Y165 N166	M164-R168 PolarHBondContact O-N 3.11Å; Y165-R168 WeakPolarHBondContact O-CA 3.35Å; Y165-R168 PolarHBondContact O-N 2.89Å; N166-R168 PolarHBondContact O-N 3.17Å
169	N	98	Very high	97.8	Very high	44 Å²	44	48.2 Å²	48.2	24%	0.235	23%	0.234	C	C	.	.			trans	-59.8	122.8	172.2	180	-82.1	0	0	0	109.8	M164 Q167 S171 V172 Q173	M164-N169 HydrophobicContact CB-CB 3.97Å; M164-N169 HydrophobicContact CE-CB 3.81Å; M164-N169 VanDerWaalsContact CE-ND2 3.3Å; M164-N169 WeakPolarHBondContact CE-ND2 3.33Å; M164-N169 VanDerWaalsContact O-CB 3.27Å; M164-N169 WeakPolarHBondContact O-CB 3.49Å; M164-N169 PolarHBondContact O-N 3.04Å; Q167-N169 VanDerWaalsContact C-N 3.27Å; Q167-N169 PolarHBondContact O-N 3.43Å; N169-S171 VanDerWaalsContact C-N 3.32Å; N169-S171 PolarHBondContact O-N 3.39Å; N169-S171 PolarHBondContact OD1-N 3.36Å; N169-S171 VanDerWaalsContact OD1-N 3.12Å; N169-V172 HydrophobicContact CB-CB 4.28Å; N169-V172 HydrophobicContact CB-CG2 4.49Å; N169-V172 PolarHBondContact O-N 2.88Å; N169-V172 PolarHBondContact OD1-N 3.49Å; N169-Q173 VanDerWaalsContact O-CB 3.24Å; N169-Q173 WeakPolarHBondContact O-CB 3.23Å; N169-Q173 VanDerWaalsContact O-CG 3.24Å; N169-Q173 WeakPolarHBondContact O-CG 3.11Å; N169-Q173 PolarHBondContact O-N 3.46Å
170	P	97.5	Very high	97.8	Very high	99 Å²	99	47 Å²	47	64%	0.643	23%	0.227	S	C	*	.	H	α-helix	trans	-64.2	-35.2	-170.7	23.5	-33.8	0	0	0	113	K174	P170-K174 WeakPolarHBondContact O-CB 3.36Å; P170-K174 PolarHBondContact O-N 3.28Å
171	S	96	Very high	97.8	Very high	48 Å²	48	45.1 Å²	45.1	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-71.3	-45.4	179.4	-61	0	0	0	0	111.7	N169 K174 L175 W407	N169-S171 VanDerWaalsContact C-N 3.32Å; N169-S171 PolarHBondContact O-N 3.39Å; N169-S171 PolarHBondContact OD1-N 3.36Å; N169-S171 VanDerWaalsContact OD1-N 3.12Å; S171-K174 PolarHBondContact O-N 3.24Å; S171-L175 WeakPolarHBondContact O-CB 3.33Å; S171-L175 PolarHBondContact O-N 3.29Å; S171-W407 WeakPolarHBondContact O-CZ2 3.47Å
172	V	97.8	Very high	97.8	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-41.4	178.7	174	0	0	0	0	111.6	Y160 L161 M164 N169 K174 L175 I176	Y160-V172 HydrophobicContact CE1-CG2 4.43Å; L161-V172 HydrophobicContact CD2-CG1 4.01Å; M164-V172 HydrophobicContact CB-CB 4Å; M164-V172 HydrophobicContact CB-CG1 4.07Å; M164-V172 HydrophobicContact CB-CG2 3.72Å; M164-V172 HydrophobicContact CG-CG2 4.42Å; N169-V172 HydrophobicContact CB-CB 4.28Å; N169-V172 HydrophobicContact CB-CG2 4.49Å; N169-V172 PolarHBondContact O-N 2.88Å; N169-V172 PolarHBondContact OD1-N 3.49Å; V172-K174 PolarHBondContact O-N 3.36Å; V172-L175 PolarHBondContact O-N 3.14Å; V172-I176 HydrophobicContact CG1-CD1 3.85Å; V172-I176 PolarHBondContact O-N 3.31Å
173	Q	97.6	Very high	97.9	Very high	40 Å²	40	45.1 Å²	45.1	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-49.9	172.6	-78.7	-77.6	-23.2	0	0	111	Y165 N169 L175 N177	Y165-Q173 VanDerWaalsContact CD2-CD 3.46Å; Y165-Q173 HydrophobicContact CD2-CG 4.24Å; Y165-Q173 HydrophobicContact CE2-CG 4.43Å; Y165-Q173 VanDerWaalsContact CZ-NE2 3.34Å; Y165-Q173 PolarHBondContact O-NE2 3.33Å; N169-Q173 VanDerWaalsContact O-CB 3.24Å; N169-Q173 WeakPolarHBondContact O-CB 3.23Å; N169-Q173 VanDerWaalsContact O-CG 3.24Å; N169-Q173 WeakPolarHBondContact O-CG 3.11Å; N169-Q173 PolarHBondContact O-N 3.46Å; Q173-L175 PolarHBondContact O-N 3.18Å; Q173-N177 VanDerWaalsContact O-CB 3.31Å; Q173-N177 WeakPolarHBondContact O-CB 3.19Å; Q173-N177 PolarHBondContact O-N 2.85Å; Q173-N177 PolarHBondContact O-ND2 3.47Å; Q173-N177 PolarHBondContact O-OD1 3.38Å
174	K	97.9	Very high	97.9	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-47.7	178	-169.7	-179.4	176.9	-174.4	0	110.9	P170 S171 V172 N177 I178 W407 M489	P170-K174 WeakPolarHBondContact O-CB 3.36Å; P170-K174 PolarHBondContact O-N 3.28Å; S171-K174 PolarHBondContact O-N 3.24Å; V172-K174 PolarHBondContact O-N 3.36Å; K174-N177 PolarHBondContact O-N 2.85Å; K174-I178 HydrophobicContact CG-CD1 4.16Å; K174-I178 VanDerWaalsContact O-CG1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.29Å; K174-I178 PolarHBondContact O-N 3.37Å; K174-I178 VanDerWaalsContact O-N 3.09Å; K174-W407 HydrophobicContact CB-CH2 4.11Å; K174-W407 HydrophobicContact CB-CZ2 4.46Å; K174-W407 HydrophobicContact CD-CH2 3.81Å; K174-W407 HydrophobicContact CG-CH2 3.85Å; K174-M489 PolarHBondContact NZ-O 2.99Å
175	L	97.9	Very high	98	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-51.2	-179.2	-178	63.8	0	0	0	112.1	S171 V172 Q173 N177 I178 T179 I181 M406 W407	S171-L175 WeakPolarHBondContact O-CB 3.33Å; S171-L175 PolarHBondContact O-N 3.29Å; V172-L175 PolarHBondContact O-N 3.14Å; Q173-L175 PolarHBondContact O-N 3.18Å; L175-N177 VanDerWaalsContact C-N 3.28Å; L175-N177 PolarHBondContact O-N 3.41Å; L175-I178 PolarHBondContact O-N 3.25Å; L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.49Å; L175-T179 PolarHBondContact O-N 3.43Å; L175-T179 PolarHBondContact O-OG1 2.81Å; L175-I181 HydrophobicContact CD2-CD1 4.07Å; L175-I181 HydrophobicContact CG-CD1 3.92Å; L175-M406 HydrophobicContact CD1-CB 4.35Å; L175-M406 HydrophobicContact CD2-CB 4.19Å; L175-M406 HydrophobicContact CD2-CE 3.99Å; L175-M406 HydrophobicContact CD2-SD 4.37Å; L175-W407 HydrophobicContact CB-CH2 4.33Å; L175-W407 HydrophobicContact CB-CZ2 3.7Å; L175-W407 HydrophobicContact CD1-CD2 3.95Å; L175-W407 HydrophobicContact CD1-CE3 4.34Å; L175-W407 HydrophobicContact CD1-CG 4.33Å; L175-W407 HydrophobicContact CD1-CZ2 4.22Å; L175-W407 HydrophobicContact CG-CZ2 4.49Å
176	I	98.2	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-30.9	178.8	-70.1	172.5	0	0	0	112	V103 F123 L125 K134 L161 Y165 V172	V103-I176 HydrophobicContact CB-CG2 4.11Å; V103-I176 HydrophobicContact CG1-CG2 4.33Å; F123-I176 HydrophobicContact CB-CD1 4.49Å; F123-I176 HydrophobicContact CB-CG1 4.31Å; F123-I176 HydrophobicContact CD1-CD1 3.97Å; L125-I176 PolarHBondContact N-O 3.23Å; K134-I176 PolarHBondContact NZ-O 2.95Å; L161-I176 HydrophobicContact CB-CD1 4.48Å; Y165-I176 HydrophobicContact CD2-CB 4.27Å; Y165-I176 HydrophobicContact CD2-CD1 3.73Å; Y165-I176 HydrophobicContact CD2-CG2 4.25Å; Y165-I176 HydrophobicContact CE2-CB 4.41Å; Y165-I176 HydrophobicContact CE2-CG2 4.09Å; Y165-I176 HydrophobicContact CG-CD1 4.23Å; V172-I176 HydrophobicContact CG1-CD1 3.85Å; V172-I176 PolarHBondContact O-N 3.31Å
177	N	97.3	Very high	98.1	Very high	59 Å²	59	36.2 Å²	36.2	32%	0.316	18%	0.178	S	C	.	.	H	α-helix	trans	-68.6	-41.3	178.4	-71.5	-7.5	0	0	0	112	K134 Q173 K174 L175	K134-N177 WeakPolarHBondContact CE-O 3.24Å; K134-N177 PolarHBondContact NZ-O 3.27Å; K134-N177 VanDerWaalsContact NZ-O 3.13Å; Q173-N177 VanDerWaalsContact O-CB 3.31Å; Q173-N177 WeakPolarHBondContact O-CB 3.19Å; Q173-N177 PolarHBondContact O-N 2.85Å; Q173-N177 PolarHBondContact O-ND2 3.47Å; Q173-N177 PolarHBondContact O-OD1 3.38Å; K174-N177 PolarHBondContact O-N 2.85Å; L175-N177 VanDerWaalsContact C-N 3.28Å; L175-N177 PolarHBondContact O-N 3.41Å
178	I	97.7	Very high	98.1	Very high	28 Å²	28	30.4 Å²	30.4	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-106.9	-1.6	-171	73.5	-179.7	0	0	0	114.5	K134 P135 K174 L175 W407 H410 E491	K134-I178 WeakPolarHBondContact CG-O 3.47Å; P135-I178 WeakPolarHBondContact CD-O 3.47Å; K174-I178 HydrophobicContact CG-CD1 4.16Å; K174-I178 VanDerWaalsContact O-CG1 3.29Å; K174-I178 WeakPolarHBondContact O-CG1 3.29Å; K174-I178 PolarHBondContact O-N 3.37Å; K174-I178 VanDerWaalsContact O-N 3.09Å; L175-I178 PolarHBondContact O-N 3.25Å; I178-W407 HydrophobicContact CD1-CH2 4.04Å; I178-W407 HydrophobicContact CD1-CZ3 3.73Å; I178-H410 PolarHBondContact O-CE1 2.86Å; I178-H410 VanDerWaalsContact O-CE1 3.29Å; I178-E491 HydrophobicContact CD1-CG 3.78Å
179	T	98.5	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.			trans	-130.6	142.7	176.1	-49.1	0	0	0	0	108.9	K134 F137 L175 I181 V409 H410	K134-T179 WeakPolarHBondContact CE-O 3.46Å; F137-T179 HydrophobicContact CB-CG2 3.85Å; L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.49Å; L175-T179 PolarHBondContact O-N 3.43Å; L175-T179 PolarHBondContact O-OG1 2.81Å; T179-I181 HydrophobicContact CG2-CG1 3.73Å; T179-V409 HydrophobicContact CG2-CG1 3.86Å; T179-H410 PolarHBondContact OG1-NE2 2.89Å
180	R	98.5	Very high	98.2	Very high	16 Å²	16	19 Å²	19	6%	0.06	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.4	166.7	179.2	169.5	178.5	-130.5	0.5	108.1	E122 K134 P135 E136 F137 H182	E122-R180 HydrophobicContact CG-CG 4.15Å; E122-R180 IonicContact OE1-CZ 2.73Å; E122-R180 IonicContact OE1-NE 3.67Å; E122-R180 PolarHBondContact OE1-NE 2.92Å; E122-R180 IonicContact OE1-NH2 3.22Å; E122-R180 PolarHBondContact OE1-NH2 3.35Å; E122-R180 IonicContact OE2-CZ 3.53Å; E122-R180 IonicContact OE2-NE 3.31Å; E122-R180 PolarHBondContact OE2-NE 2.69Å; E122-R180 IonicContact OE2-NH2 3.73Å; E122-R180 PolarHBondContact OE2-NH2 2.91Å; K134-R180 HydrophobicContact CD-CB 4.41Å; P135-R180 PolarHBondContact O-N 3.41Å; E136-R180 WeakPolarHBondContact OE1-CD 3.46Å; E136-R180 IonicContact OE1-CZ 3.8Å; E136-R180 IonicContact OE1-NH1 3.82Å; E136-R180 PolarHBondContact OE1-NH1 2.92Å; E136-R180 WeakPolarHBondContact OE2-CB 3.38Å; E136-R180 WeakPolarHBondContact OE2-CD 3.27Å; E136-R180 WeakPolarHBondContact OE2-CG 3.3Å; E136-R180 IonicContact OE2-NE 3.08Å; E136-R180 IonicContact OE2-NH1 2.64Å; F137-R180 PolarHBondContact N-O 2.93Å; R180-H182 WeakPolarHBondContact CG-NE2 3.41Å
181	I	98.8	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	-167.6	-62.9	163.5	0	0	0	108.3	E122 F123 F137 L175 T179 L183 M406	E122-I181 CarbonylContact C-O 3.25Å; E122-I181 VanDerWaalsContact CA-O 3.23Å; E122-I181 WeakPolarHBondContact CA-O 3.43Å; F123-I181 HydrophobicContact CB-CB 4.25Å; F123-I181 PolarHBondContact N-O 2.88Å; F123-I181 PolarHBondContact O-N 3.26Å; F137-I181 HydrophobicContact CD1-CG2 4.14Å; F137-I181 CarbonylContact O-C 3.38Å; F137-I181 WeakPolarHBondContact O-CA 3.48Å; L175-I181 HydrophobicContact CD2-CD1 4.07Å; L175-I181 HydrophobicContact CG-CD1 3.92Å; T179-I181 HydrophobicContact CG2-CG1 3.73Å; I181-L183 HydrophobicContact CG2-CD2 3.71Å; I181-L183 HydrophobicContact CG2-CG 4.19Å; I181-M406 HydrophobicContact CD1-SD 3.82Å; I181-M406 HydrophobicContact CG1-SD 4.24Å; I181-M406 HydrophobicContact CG2-SD 3.85Å
182	H	98.9	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.6	177.4	-60.4	-102.9	0	0	0	110.8	Y107 V120 E122 E136 F137 K138 Y139 R180 W261 F267	Y107-H182 AromaticContact CE1-ND1 3.74Å; Y107-H182 AromaticContact CZ-ND1 3.66Å; Y107-H182 PolarHBondContact OH-ND1 2.95Å; V120-H182 HydrophobicContact CG1-CB 3.95Å; E122-H182 IonicContact OE2-CE1 3.99Å; E136-H182 IonicContact OE2-CD2 2.65Å; E136-H182 IonicContact OE2-NE2 2.87Å; E136-H182 PolarHBondContact OE2-NE2 3.12Å; E136-H182 VanDerWaalsContact OE2-NE2 3.16Å; F137-H182 PolarHBondContact O-N 2.97Å; K138-H182 CarbonylContact C-O 3.55Å; K138-H182 WeakPolarHBondContact CA-O 3.3Å; K138-H182 HydrophobicContact CB-CB 4.18Å; Y139-H182 PolarHBondContact N-O 3.03Å; R180-H182 WeakPolarHBondContact CG-NE2 3.41Å; H182-W261 HydrophobicContact CB-CH2 4.31Å; H182-W261 HydrophobicContact CB-CZ2 3.68Å; H182-F267 HydrophobicContact CB-CE1 4.22Å; H182-F267 HydrophobicContact CB-CZ 4.39Å; H182-F267 AromaticContact CD2-CE1 3.61Å; H182-F267 AromaticContact CG-CE1 3.99Å
183	L	98.9	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.8	179.7	-48.9	179.9	0	0	0	109.2	V120 I121 F123 Y139 L154 L157 A158 L161 I181 P185	V120-L183 VanDerWaalsContact CA-O 3.31Å; V120-L183 WeakPolarHBondContact CA-O 3.27Å; V120-L183 WeakPolarHBondContact CG1-O 3.3Å; I121-L183 HydrophobicContact CG2-CB 3.87Å; I121-L183 HydrophobicContact CG2-CD1 4.22Å; I121-L183 HydrophobicContact CG2-CG 4.36Å; I121-L183 PolarHBondContact N-O 3.04Å; I121-L183 PolarHBondContact O-N 3.47Å; F123-L183 HydrophobicContact CD2-CD1 4.48Å; F123-L183 HydrophobicContact CE2-CD1 4.21Å; Y139-L183 HydrophobicContact CD2-CD2 3.91Å; Y139-L183 HydrophobicContact CG-CD2 4.43Å; L154-L183 HydrophobicContact CD2-CD2 4.37Å; L157-L183 HydrophobicContact CD2-CD1 4.24Å; L157-L183 HydrophobicContact CD2-CD2 4.14Å; L157-L183 HydrophobicContact CG-CD1 4.29Å; A158-L183 HydrophobicContact CB-CD1 4.11Å; L161-L183 HydrophobicContact CD1-CD1 4.41Å; I181-L183 HydrophobicContact CG2-CD2 3.71Å; I181-L183 HydrophobicContact CG2-CG 4.19Å; L183-P185 WeakPolarHBondContact O-CD 3.44Å
184	L	98.9	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	95.9	171.1	176	56.5	0	0	0	108.7	I109 L118 V120 Y139 V140 A141 L154 S186 M187 V258 W261	I109-L184 HydrophobicContact CD1-CD2 3.76Å; L118-L184 HydrophobicContact CB-CD1 4.2Å; V120-L184 HydrophobicContact CG2-CB 4.04Å; V120-L184 HydrophobicContact CG2-CD1 3.88Å; V120-L184 HydrophobicContact CG2-CG 4.43Å; Y139-L184 PolarHBondContact O-N 3.25Å; V140-L184 HydrophobicContact CG1-CD2 3.96Å; V140-L184 HydrophobicContact CG1-CG 4.36Å; V140-L184 HydrophobicContact CG2-CB 4.4Å; V140-L184 HydrophobicContact CG2-CD2 4.38Å; A141-L184 PolarHBondContact N-O 2.99Å; L154-L184 WeakPolarHBondContact CD1-O 3.39Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.47Å; L184-M187 HydrophobicContact CD2-CB 4.22Å; L184-V258 HydrophobicContact CD2-CG2 4.11Å; L184-W261 HydrophobicContact CB-CH2 4.1Å; L184-W261 HydrophobicContact CB-CZ3 4.1Å; L184-W261 HydrophobicContact CD2-CE3 4.37Å; L184-W261 HydrophobicContact CD2-CZ3 3.85Å
185	P	98.8	Very high	98.1	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.061	C	C	.	.	S	Bend	trans	-71.7	-22.2	-172.6	-16.4	32.4	0	0	0	113.8	L89 L93 S119 R151 L154 L155 L183	L89-P185 HydrophobicContact CD1-CB 4.1Å; L93-P185 HydrophobicContact CD1-CG 4.43Å; L93-P185 HydrophobicContact CD2-CG 4.24Å; S119-P185 WeakPolarHBondContact O-CD 3.16Å; R151-P185 VanDerWaalsContact CA-O 3.28Å; R151-P185 WeakPolarHBondContact CA-O 3.48Å; R151-P185 WeakPolarHBondContact CB-O 3.22Å; R151-P185 WeakPolarHBondContact CG-O 3.34Å; L154-P185 HydrophobicContact CB-CB 4.08Å; L154-P185 HydrophobicContact CB-CG 4.35Å; L155-P185 HydrophobicContact CD2-CB 4.16Å; L155-P185 HydrophobicContact CD2-CG 4.05Å; L155-P185 HydrophobicContact CG-CB 4.28Å; L183-P185 WeakPolarHBondContact O-CD 3.44Å
186	S	98.8	Very high	97.9	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	7%	0.07	C	C	.	.			trans	-149	109.4	178	-174.4	0	0	0	0	111.2	A141 N142 R151 L184 P189	A141-S186 WeakPolarHBondContact O-CA 3.44Å; N142-S186 WeakPolarHBondContact OD1-CB 3.04Å; N142-S186 PolarHBondContact OD1-OG 2.78Å; R151-S186 PolarHBondContact NH1-OG 3.07Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.47Å; S186-P189 WeakPolarHBondContact OG-CA 3.27Å
187	M	98.8	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-78.7	-31.7	170	174.9	177.6	178	0	0	111.8	V140 A141 M143 L184 P189 L216 F220 E254 V258 M363	V140-M187 HydrophobicContact CG1-CB 3.98Å; V140-M187 HydrophobicContact CG1-SD 4.3Å; A141-M187 PolarHBondContact O-N 2.98Å; M143-M187 HydrophobicContact CB-CB 4Å; M143-M187 HydrophobicContact CB-CG 4.12Å; M143-M187 HydrophobicContact CB-SD 3.65Å; M143-M187 HydrophobicContact CE-SD 4.16Å; L184-M187 HydrophobicContact CD2-CB 4.22Å; M187-P189 WeakPolarHBondContact O-CD 3.07Å; M187-L216 HydrophobicContact CE-CB 4.34Å; M187-L216 HydrophobicContact CE-CD1 4.13Å; M187-L216 HydrophobicContact CG-CD1 4.23Å; M187-F220 HydrophobicContact CE-CE2 3.8Å; M187-F220 HydrophobicContact CE-CZ 3.77Å; M187-E254 HydrophobicContact CE-CB 4.33Å; M187-E254 WeakPolarHBondContact O-CG 3.36Å; M187-V258 HydrophobicContact CE-CB 4.01Å; M187-V258 HydrophobicContact CE-CG1 4.44Å; M187-V258 HydrophobicContact CE-CG2 3.75Å; M187-V258 HydrophobicContact CG-CG2 3.96Å; M187-V258 HydrophobicContact SD-CB 4.48Å; M187-V258 HydrophobicContact SD-CG2 3.85Å; M187-M363 HydrophobicContact CE-SD 4.42Å; M187-M363 HydrophobicContact SD-CE 4.44Å; M187-M363 HydrophobicContact SD-SD 3.83Å
188	N	98.8	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.			trans	-116.5	71.9	177.5	-175.1	3.6	0	0	0	111.6	N142 M143 G145 D190 G191 F192 R208 N209 N210 L216	N142-N188 WeakPolarHBondContact O-CB 3.44Å; N142-N188 PolarHBondContact O-N 2.96Å; M143-N188 WeakPolarHBondContact O-CB 3.3Å; M143-N188 PolarHBondContact O-ND2 2.87Å; G145-N188 PolarHBondContact N-ND2 3.12Å; N188-D190 PolarHBondContact O-N 2.87Å; N188-G191 WeakPolarHBondContact OD1-CA 3.4Å; N188-G191 PolarHBondContact OD1-N 3.28Å; N188-F192 PolarHBondContact O-N 2.88Å; N188-F192 VanDerWaalsContact O-N 3.15Å; N188-R208 PolarHBondContact ND2-O 2.83Å; N188-R208 VanDerWaalsContact ND2-O 3.08Å; N188-N209 VanDerWaalsContact ND2-C 3.26Å; N188-N209 PolarHBondContact ND2-O 3.39Å; N188-N210 PolarHBondContact ND2-N 3.42Å; N188-L216 HydrophobicContact CB-CD1 3.75Å
189	P	98.6	Very high	96.4	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-27.7	-179.8	26.7	-35.1	0	0	0	112.7	N86 R116 L118 S186 M187 F192 E193	N86-P189 WeakPolarHBondContact ND2-CB 3.45Å; N86-P189 PolarHBondContact ND2-O 3.17Å; R116-P189 HydrophobicContact CB-CB 4.13Å; R116-P189 HydrophobicContact CB-CG 3.91Å; L118-P189 HydrophobicContact CD1-CG 4.11Å; S186-P189 WeakPolarHBondContact OG-CA 3.27Å; M187-P189 WeakPolarHBondContact O-CD 3.07Å; P189-F192 PolarHBondContact O-N 2.8Å; P189-E193 PolarHBondContact O-N 2.99Å; P189-E193 VanDerWaalsContact O-N 3.1Å
190	D	98.5	Very high	95	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-72.8	-47.8	-178.6	-61.8	-4.5	0	0	0	111.6	S112 V113 E114 R116 N188 F192 E193 K194 A211	S112-D190 VanDerWaalsContact CB-CG 3.49Å; S112-D190 WeakPolarHBondContact CB-OD1 3.22Å; S112-D190 VanDerWaalsContact CB-OD2 3.25Å; S112-D190 WeakPolarHBondContact CB-OD2 3.37Å; S112-D190 PolarHBondContact OG-OD1 2.84Å; S112-D190 PolarHBondContact OG-OD2 2.91Å; V113-D190 PolarHBondContact N-OD2 3.42Å; E114-D190 WeakPolarHBondContact CB-OD2 3.33Å; E114-D190 PolarHBondContact N-OD2 3.07Å; R116-D190 IonicContact CZ-OD1 3.74Å; R116-D190 VanDerWaalsContact NH1-CG 3.28Å; R116-D190 IonicContact NH1-OD1 3.98Å; R116-D190 PolarHBondContact NH1-OD1 2.67Å; N188-D190 PolarHBondContact O-N 2.87Å; D190-F192 PolarHBondContact O-N 3.44Å; D190-E193 PolarHBondContact O-N 2.88Å; D190-K194 PolarHBondContact O-N 3.34Å; D190-K194 VanDerWaalsContact O-N 3.12Å; D190-A211 HydrophobicContact CB-CB 4Å
191	G	98	Very high	93.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-39.1	172.2	0	0	0	0	0	111.5	N188 K194 A195 G207	N188-G191 WeakPolarHBondContact OD1-CA 3.4Å; N188-G191 PolarHBondContact OD1-N 3.28Å; G191-K194 WeakPolarHBondContact O-CB 3.28Å; G191-K194 PolarHBondContact O-N 3.02Å; G191-A195 PolarHBondContact O-N 3.11Å; G191-G207 CarbonylContact C-O 3.24Å; G191-G207 VanDerWaalsContact C-O 3.3Å; G191-G207 VanDerWaalsContact CA-O 3.24Å; G191-G207 WeakPolarHBondContact CA-O 3.24Å; G191-G207 VanDerWaalsContact O-CA 3.24Å; G191-G207 WeakPolarHBondContact O-CA 3.47Å
192	F	97.7	Very high	92.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-46	177.4	179.1	-90.1	0	0	0	112.4	H84 N142 G145 A148 N188 P189 D190 K194 A195 F196 M385	H84-F192 VanDerWaalsContact O-CE1 3.28Å; H84-F192 WeakPolarHBondContact O-CE1 3.26Å; N142-F192 WeakPolarHBondContact OD1-CB 3.22Å; G145-F192 VanDerWaalsContact O-CA 3.27Å; G145-F192 WeakPolarHBondContact O-CA 3.43Å; G145-F192 WeakPolarHBondContact O-CD2 3.34Å; A148-F192 HydrophobicContact CB-CD2 4.34Å; A148-F192 HydrophobicContact CB-CE2 3.87Å; N188-F192 PolarHBondContact O-N 2.88Å; N188-F192 VanDerWaalsContact O-N 3.15Å; P189-F192 PolarHBondContact O-N 2.8Å; D190-F192 PolarHBondContact O-N 3.44Å; F192-K194 VanDerWaalsContact C-N 3.26Å; F192-K194 PolarHBondContact O-N 3.38Å; F192-A195 PolarHBondContact O-N 2.8Å; F192-F196 HydrophobicContact CD1-CB 4.27Å; F192-F196 HydrophobicContact CE1-CB 3.93Å; F192-F196 AromaticContact CE1-CD2 3.69Å; F192-F196 HydrophobicContact CE1-CD2 3.69Å; F192-F196 HydrophobicContact CE1-CG 4.08Å; F192-F196 HydrophobicContact CZ-CB 4.32Å; F192-F196 AromaticContact CZ-CD2 3.67Å; F192-F196 HydrophobicContact CZ-CD2 3.67Å; F192-F196 HydrophobicContact CZ-CG 4.4Å; F192-F196 WeakPolarHBondContact O-CB 3.39Å; F192-F196 PolarHBondContact O-N 2.83Å; F192-M385 HydrophobicContact CE2-CE 4.09Å; F192-M385 HydrophobicContact CZ-CE 4.37Å
193	E	96.9	Very high	91.3	Very high	27 Å²	27	43.3 Å²	43.3	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-39.9	176.6	-74.9	-72.1	160.6	0	0	111.4	N85 N86 P189 D190 F196 N197	N85-E193 WeakPolarHBondContact CB-OE1 2.82Å; N86-E193 HydrophobicContact CB-CG 4.47Å; N86-E193 WeakPolarHBondContact CB-OE1 3.49Å; N86-E193 PolarHBondContact N-OE1 2.92Å; N86-E193 WeakPolarHBondContact ND2-CG 3.17Å; N86-E193 PolarHBondContact ND2-OE1 3.5Å; P189-E193 PolarHBondContact O-N 2.99Å; P189-E193 VanDerWaalsContact O-N 3.1Å; D190-E193 PolarHBondContact O-N 2.88Å; E193-F196 PolarHBondContact O-N 2.72Å; E193-N197 VanDerWaalsContact O-CB 3.31Å; E193-N197 WeakPolarHBondContact O-CB 3.23Å; E193-N197 VanDerWaalsContact O-CG 3.28Å; E193-N197 PolarHBondContact O-N 3.49Å; E193-N197 PolarHBondContact O-ND2 3.33Å; E193-N197 PolarHBondContact OE2-ND2 3.48Å
194	K	96.1	Very high	90.6	Very high	107 Å²	107	47.1 Å²	47.1	47%	0.465	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-46	175	-173.8	176	178.8	-178.9	0	111.7	D190 G191 F192 N198 V206	D190-K194 PolarHBondContact O-N 3.34Å; D190-K194 VanDerWaalsContact O-N 3.12Å; G191-K194 WeakPolarHBondContact O-CB 3.28Å; G191-K194 PolarHBondContact O-N 3.02Å; F192-K194 VanDerWaalsContact C-N 3.26Å; F192-K194 PolarHBondContact O-N 3.38Å; K194-N198 WeakPolarHBondContact O-CB 3.21Å; K194-N198 PolarHBondContact O-N 2.85Å; K194-N198 PolarHBondContact O-ND2 3.49Å; K194-V206 HydrophobicContact CG-CG1 4.36Å
195	A	95.8	Very high	90.2	Very high	6 Å²	6	52.4 Å²	52.4	5%	0.05	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-46.7	176.7	0	0	0	0	0	112	N146 G191 F192 N197 N198 R199 V206	N146-A195 HydrophobicContact CB-CB 3.74Å; G191-A195 PolarHBondContact O-N 3.11Å; F192-A195 PolarHBondContact O-N 2.8Å; A195-N197 PolarHBondContact O-N 2.94Å; A195-N198 CarbonylContact O-C 3.56Å; A195-N198 PolarHBondContact O-N 3.41Å; A195-N198 VanDerWaalsContact O-N 3.15Å; A195-R199 PolarHBondContact O-N 2.94Å; A195-R199 VanDerWaalsContact O-N 3.15Å; A195-V206 WeakPolarHBondContact CB-O 3.44Å
196	F	94.2	Very high	89.9	Confident	42 Å²	42	54.3 Å²	54.3	18%	0.184	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-42.7	-179.2	-175.7	-84.5	0	0	0	112.1	N85 F192 E193 N198 R199 M385	N85-F196 HydrophobicContact CB-CE1 4.26Å; N85-F196 HydrophobicContact CB-CZ 4.29Å; F192-F196 HydrophobicContact CD1-CB 4.27Å; F192-F196 HydrophobicContact CE1-CB 3.93Å; F192-F196 AromaticContact CE1-CD2 3.69Å; F192-F196 HydrophobicContact CE1-CD2 3.69Å; F192-F196 HydrophobicContact CE1-CG 4.08Å; F192-F196 HydrophobicContact CZ-CB 4.32Å; F192-F196 AromaticContact CZ-CD2 3.67Å; F192-F196 HydrophobicContact CZ-CD2 3.67Å; F192-F196 HydrophobicContact CZ-CG 4.4Å; F192-F196 WeakPolarHBondContact O-CB 3.39Å; F192-F196 PolarHBondContact O-N 2.83Å; E193-F196 PolarHBondContact O-N 2.72Å; F196-N198 VanDerWaalsContact C-N 3.33Å; F196-R199 WeakPolarHBondContact O-CD 3.48Å; F196-R199 VanDerWaalsContact O-CG 3.23Å; F196-R199 WeakPolarHBondContact O-CG 3.4Å; F196-R199 PolarHBondContact O-NE 2.66Å; F196-M385 HydrophobicContact CD2-CE 4.26Å
197	N	93.1	Very high	89.8	Confident	111 Å²	111	54.2 Å²	54.2	59%	0.594	27%	0.274	S	S	*	.	H	α-helix	trans	-78	-16.6	179.6	-68.7	-46.6	0	0	0	113.5	E193 A195	E193-N197 VanDerWaalsContact O-CB 3.31Å; E193-N197 WeakPolarHBondContact O-CB 3.23Å; E193-N197 VanDerWaalsContact O-CG 3.28Å; E193-N197 PolarHBondContact O-N 3.49Å; E193-N197 PolarHBondContact O-ND2 3.33Å; E193-N197 PolarHBondContact OE2-ND2 3.48Å; A195-N197 PolarHBondContact O-N 2.94Å
198	N	89.9	Confident	89.7	Confident	60 Å²	60	55.9 Å²	55.9	32%	0.321	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	21.3	179.8	-70.1	-80.3	0	0	0	113.6	K194 A195 F196 G200 K201 V206	K194-N198 WeakPolarHBondContact O-CB 3.21Å; K194-N198 PolarHBondContact O-N 2.85Å; K194-N198 PolarHBondContact O-ND2 3.49Å; A195-N198 CarbonylContact O-C 3.56Å; A195-N198 PolarHBondContact O-N 3.41Å; A195-N198 VanDerWaalsContact O-N 3.15Å; F196-N198 VanDerWaalsContact C-N 3.33Å; N198-G200 PolarHBondContact O-N 3.47Å; N198-K201 PolarHBondContact O-N 2.97Å; N198-V206 HydrophobicContact CB-CG1 3.8Å
199	R	79	Confident	89.6	Confident	99 Å²	99	57.8 Å²	57.8	37%	0.374	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	125	177.3	-77.6	167	-173.6	-137.7	-13.6	111.9	A195 F196 M385 E388	A195-R199 PolarHBondContact O-N 2.94Å; A195-R199 VanDerWaalsContact O-N 3.15Å; F196-R199 WeakPolarHBondContact O-CD 3.48Å; F196-R199 VanDerWaalsContact O-CG 3.23Å; F196-R199 WeakPolarHBondContact O-CG 3.4Å; F196-R199 PolarHBondContact O-NE 2.66Å; R199-M385 HydrophobicContact CG-SD 4.14Å; R199-M385 VanDerWaalsContact NH2-CE 3.34Å; R199-E388 IonicContact CZ-OE1 2.74Å; R199-E388 IonicContact NH1-OE1 3.3Å; R199-E388 PolarHBondContact NH1-OE1 3.24Å; R199-E388 IonicContact NH2-OE1 3.98Å
200	G	67.3	Low	89.6	Confident	72 Å²	72	57.7 Å²	57.7	74%	0.742	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	-5.6	178.9	0	0	0	0	0	115.1	N198	N198-G200 PolarHBondContact O-N 3.47Å
201	K	68.8	Low	89.6	Confident	145 Å²	145	59.5 Å²	59.5	63%	0.63	31%	0.305	S	S	*	.	S	Bend	trans	-104.5	135	167.6	-63.3	179.1	-177.3	173	0	109.2	N198 K203	N198-K201 PolarHBondContact O-N 2.97Å; K201-K203 PolarHBondContact O-N 3.46Å
202	D	71.5	Confident	89.6	Confident	93 Å²	93	65 Å²	65	50%	0.497	33%	0.331	S	S	.	.			trans	23.7	85.9	-179.6	-177.3	7.2	0	0	0	114.2	W204 V206	D202-W204 PolarHBondContact O-N 3.15Å; D202-W204 PolarHBondContact OD1-N 2.9Å; D202-W204 VanDerWaalsContact OD1-N 3.11Å; D202-V206 HydrophobicContact CB-CG2 3.88Å; D202-V206 PolarHBondContact O-N 3.33Å
203	K	80	Confident	89.5	Confident	130 Å²	130	70.2 Å²	70.2	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.3	-176.3	-64.6	-174.6	172.1	-169	0	113.6	N146 K201 E383	N146-K203 PolarHBondContact ND2-O 2.89Å; K201-K203 PolarHBondContact O-N 3.46Å; K203-E383 IonicContact NZ-OE2 3.21Å; K203-E383 PolarHBondContact NZ-OE2 2.85Å
204	W	83.7	Confident	89.5	Confident	79 Å²	79	71.1 Å²	71.1	30%	0.299	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-39.9	-169.5	-157.8	-106.3	0	0	0	113.9	N146 D202 M339 K384	N146-W204 VanDerWaalsContact ND2-C 3.3Å; N146-W204 PolarHBondContact ND2-O 2.68Å; D202-W204 PolarHBondContact O-N 3.15Å; D202-W204 PolarHBondContact OD1-N 2.9Å; D202-W204 VanDerWaalsContact OD1-N 3.11Å; W204-M339 HydrophobicContact CD2-CE 4.46Å; W204-M339 HydrophobicContact CD2-SD 4.47Å; W204-M339 HydrophobicContact CE3-SD 4.01Å; W204-M339 HydrophobicContact CH2-SD 4.29Å; W204-M339 HydrophobicContact CZ3-SD 3.91Å; W204-K384 HydrophobicContact CD2-CD 4.41Å; W204-K384 HydrophobicContact CE3-CD 4.03Å; W204-K384 HydrophobicContact CE3-CG 4.27Å; W204-K384 HydrophobicContact CZ3-CD 4.22Å; W204-K384 HydrophobicContact CZ3-CG 4.13Å
205	M	89.8	Confident	89.6	Confident	112 Å²	112	67.4 Å²	67.4	55%	0.552	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-28.8	-171.8	-61.1	-57	-161.3	0	0	114.8	G207 R208	M205-G207 PolarHBondContact O-N 3.39Å; M205-R208 WeakPolarHBondContact O-CB 3.35Å; M205-R208 PolarHBondContact O-N 2.66Å; M205-R208 VanDerWaalsContact O-N 3.07Å
206	V	93	Very high	89.7	Confident	41 Å²	41	67.1 Å²	67.1	25%	0.248	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	112.9	-172.7	174.8	0	0	0	0	110.7	N146 K194 A195 N198 D202	N146-V206 VanDerWaalsContact CB-O 3.31Å; N146-V206 WeakPolarHBondContact CB-O 3.31Å; K194-V206 HydrophobicContact CG-CG1 4.36Å; A195-V206 WeakPolarHBondContact CB-O 3.44Å; N198-V206 HydrophobicContact CB-CG1 3.8Å; D202-V206 HydrophobicContact CB-CG2 3.88Å; D202-V206 PolarHBondContact O-N 3.33Å
207	G	95.4	Very high	89.9	Confident	3 Å²	3	65.3 Å²	65.3	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	7.8	-179.7	0	0	0	0	0	114.4	G145 N146 G191 M205	G145-G207 CarbonylContact C-O 3.59Å; G145-G207 WeakPolarHBondContact CA-O 3.2Å; G145-G207 PolarHBondContact N-O 3.48Å; N146-G207 PolarHBondContact N-O 3.17Å; N146-G207 VanDerWaalsContact N-O 3.17Å; G191-G207 CarbonylContact C-O 3.24Å; G191-G207 VanDerWaalsContact C-O 3.3Å; G191-G207 VanDerWaalsContact CA-O 3.24Å; G191-G207 WeakPolarHBondContact CA-O 3.24Å; G191-G207 VanDerWaalsContact O-CA 3.24Å; G191-G207 WeakPolarHBondContact O-CA 3.47Å; M205-G207 PolarHBondContact O-N 3.39Å
208	R	97.3	Very high	90.1	Very high	36 Å²	36	64.1 Å²	64.1	14%	0.136	33%	0.328	C	S	.	.			trans	-61.5	-57.9	173.5	-179.4	-173.2	168.5	81.4	-4.5	111.4	H144 G145 N146 E147 N188 M205 D215	H144-R208 VanDerWaalsContact CA-O 3.25Å; H144-R208 WeakPolarHBondContact CA-O 3.04Å; H144-R208 HydrophobicContact CB-CG 3.91Å; H144-R208 PolarHBondContact CE1-NH1 2.85Å; H144-R208 PolarHBondContact CE1-NH2 3.21Å; H144-R208 PolarHBondContact ND1-NH1 2.8Å; H144-R208 VanDerWaalsContact NE2-CZ 3.27Å; H144-R208 PolarHBondContact NE2-NH2 3.26Å; G145-R208 PolarHBondContact N-O 2.86Å; G145-R208 VanDerWaalsContact N-O 3.17Å; N146-R208 VanDerWaalsContact OD1-CA 3.28Å; N146-R208 WeakPolarHBondContact OD1-CA 3.46Å; N146-R208 WeakPolarHBondContact OD1-CB 3.15Å; E147-R208 IonicContact OE1-NH1 3.34Å; E147-R208 PolarHBondContact OE1-NH1 2.94Å; N188-R208 PolarHBondContact ND2-O 2.83Å; N188-R208 VanDerWaalsContact ND2-O 3.08Å; M205-R208 WeakPolarHBondContact O-CB 3.35Å; M205-R208 PolarHBondContact O-N 2.66Å; M205-R208 VanDerWaalsContact O-N 3.07Å; R208-D215 IonicContact CZ-OD2 2.66Å; R208-D215 VanDerWaalsContact CZ-OD2 3.3Å; R208-D215 IonicContact NE-OD2 3.82Å; R208-D215 PolarHBondContact NE-OD2 2.82Å; R208-D215 IonicContact NH2-OD1 2.77Å; R208-D215 IonicContact NH2-OD2 3.85Å; R208-D215 PolarHBondContact NH2-OD2 3.15Å
209	N	97.8	Very high	90.4	Very high	39 Å²	39	62.3 Å²	62.3	21%	0.209	32%	0.321	C	S	.	.	S	Bend	trans	-72	166.8	-178.1	-63.4	-14.1	0	0	0	111.9	N188 D213 V214	N188-N209 VanDerWaalsContact ND2-C 3.26Å; N188-N209 PolarHBondContact ND2-O 3.39Å; N209-D213 WeakPolarHBondContact CB-OD1 3.39Å; N209-D213 PolarHBondContact ND2-O 3.14Å; N209-D213 VanDerWaalsContact ND2-O 3.15Å; N209-D213 PolarHBondContact ND2-OD1 2.84Å; N209-V214 WeakPolarHBondContact CA-O 3.46Å; N209-V214 WeakPolarHBondContact CB-O 3.5Å
210	N	98.2	Very high	91.2	Very high	3 Å²	3	58 Å²	58	2%	0.016	31%	0.305	C	S	.	.			trans	-72.5	-173.6	171.7	81.8	-17.3	0	0	0	111.7	N188 H212 D213 V214 L216 E252 E254	N188-N210 PolarHBondContact ND2-N 3.42Å; N210-H212 VanDerWaalsContact C-N 3.27Å; N210-H212 PolarHBondContact O-N 2.89Å; N210-H212 PolarHBondContact OD1-N 2.97Å; N210-H212 VanDerWaalsContact OD1-N 3.17Å; N210-D213 PolarHBondContact O-N 3.39Å; N210-D213 PolarHBondContact OD1-N 3.19Å; N210-V214 PolarHBondContact N-O 3.47Å; N210-V214 PolarHBondContact OD1-N 3.01Å; N210-V214 PolarHBondContact OD1-O 2.92Å; N210-L216 HydrophobicContact CB-CD1 4.37Å; N210-L216 HydrophobicContact CB-CD2 3.83Å; N210-L216 HydrophobicContact CB-CG 4.11Å; N210-E252 VanDerWaalsContact ND2-CD 3.33Å; N210-E252 WeakPolarHBondContact ND2-CG 3.25Å; N210-E252 PolarHBondContact ND2-OE2 3.22Å; N210-E254 PolarHBondContact ND2-OE2 3.21Å
211	A	97.9	Very high	92.5	Very high	43 Å²	43	54.8 Å²	54.8	36%	0.355	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.6	-175.9	0	0	0	0	0	113.9	V113 E114 D190 D213	V113-A211 HydrophobicContact CB-CB 3.76Å; V113-A211 HydrophobicContact CG1-CB 3.76Å; V113-A211 HydrophobicContact CG2-CB 4.46Å; E114-A211 HydrophobicContact CG-CB 3.81Å; D190-A211 HydrophobicContact CB-CB 4Å; A211-D213 PolarHBondContact O-N 2.82Å
212	H	97.4	Very high	93.6	Very high	118 Å²	118	49.4 Å²	49.4	55%	0.546	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.4	171.4	-67.9	151.2	0	0	0	113.7	V113 N210 V214 E252	V113-H212 VanDerWaalsContact CG1-CE1 3.46Å; V113-H212 WeakPolarHBondContact CG1-CE1 3.1Å; V113-H212 VanDerWaalsContact CG1-NE2 3.31Å; V113-H212 WeakPolarHBondContact CG1-NE2 3.15Å; N210-H212 VanDerWaalsContact C-N 3.27Å; N210-H212 PolarHBondContact O-N 2.89Å; N210-H212 PolarHBondContact OD1-N 2.97Å; N210-H212 VanDerWaalsContact OD1-N 3.17Å; H212-V214 VanDerWaalsContact C-N 3.3Å; H212-V214 HydrophobicContact CB-CG2 4.38Å; H212-V214 PolarHBondContact O-N 3.45Å; H212-E252 IonicContact CG-OE2 3.05Å; H212-E252 IonicContact ND1-OE1 3.89Å; H212-E252 IonicContact ND1-OE2 2.94Å; H212-E252 PolarHBondContact ND1-OE2 3.01Å
213	D	97.1	Very high	94.7	Very high	108 Å²	108	45 Å²	45	58%	0.578	23%	0.226	S	C	*	.	S	Bend	trans	63.8	30.8	-178.1	-155.9	34.8	0	0	0	114	N209 N210 A211	N209-D213 WeakPolarHBondContact CB-OD1 3.39Å; N209-D213 PolarHBondContact ND2-O 3.14Å; N209-D213 VanDerWaalsContact ND2-O 3.15Å; N209-D213 PolarHBondContact ND2-OD1 2.84Å; N210-D213 PolarHBondContact O-N 3.39Å; N210-D213 PolarHBondContact OD1-N 3.19Å; A211-D213 PolarHBondContact O-N 2.82Å
214	V	97.4	Very high	95.5	Very high	47 Å²	47	38.8 Å²	38.8	29%	0.285	20%	0.199	S	C	.	.			trans	-98	135.6	173.9	178.3	0	0	0	0	111	N209 N210 H212 L216 A219 E252	N209-V214 WeakPolarHBondContact CA-O 3.46Å; N209-V214 WeakPolarHBondContact CB-O 3.5Å; N210-V214 PolarHBondContact N-O 3.47Å; N210-V214 PolarHBondContact OD1-N 3.01Å; N210-V214 PolarHBondContact OD1-O 2.92Å; H212-V214 VanDerWaalsContact C-N 3.3Å; H212-V214 HydrophobicContact CB-CG2 4.38Å; H212-V214 PolarHBondContact O-N 3.45Å; V214-L216 PolarHBondContact O-N 2.98Å; V214-A219 HydrophobicContact CG1-CB 3.94Å; V214-E252 HydrophobicContact CB-CG 3.91Å; V214-E252 HydrophobicContact CG1-CG 3.86Å; V214-E252 HydrophobicContact CG2-CG 4.22Å; V214-E252 WeakPolarHBondContact CG2-OE1 3.49Å
215	D	97.7	Very high	95.9	Very high	28 Å²	28	37 Å²	37	15%	0.15	20%	0.198	C	C	.	.			trans	-75.6	107.3	170.6	-172	-36.9	0	0	0	109.2	H144 R208 N217 R218 A219	H144-D215 IonicContact CD2-OD1 3.46Å; H144-D215 IonicContact NE2-OD1 2.67Å; H144-D215 PolarHBondContact NE2-OD1 3.17Å; H144-D215 VanDerWaalsContact NE2-OD1 3.08Å; H144-D215 IonicContact NE2-OD2 3.14Å; R208-D215 IonicContact CZ-OD2 2.66Å; R208-D215 VanDerWaalsContact CZ-OD2 3.3Å; R208-D215 IonicContact NE-OD2 3.82Å; R208-D215 PolarHBondContact NE-OD2 2.82Å; R208-D215 IonicContact NH2-OD1 2.77Å; R208-D215 IonicContact NH2-OD2 3.85Å; R208-D215 PolarHBondContact NH2-OD2 3.15Å; D215-N217 PolarHBondContact O-N 3.07Å; D215-N217 WeakPolarHBondContact OD1-CA 3.48Å; D215-N217 PolarHBondContact OD1-N 2.93Å; D215-R218 HydrophobicContact CB-CB 4.23Å; D215-R218 HydrophobicContact CB-CG 4.02Å; D215-R218 PolarHBondContact O-N 3.39Å; D215-A219 PolarHBondContact O-N 2.81Å
216	L	98.3	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.8	-177.4	-61.1	-173.7	0	0	0	112.9	M143 M187 N188 N210 V214 R218 A219 F220 E252 E254 V255	M143-L216 HydrophobicContact CE-CB 4.11Å; M187-L216 HydrophobicContact CE-CB 4.34Å; M187-L216 HydrophobicContact CE-CD1 4.13Å; M187-L216 HydrophobicContact CG-CD1 4.23Å; N188-L216 HydrophobicContact CB-CD1 3.75Å; N210-L216 HydrophobicContact CB-CD1 4.37Å; N210-L216 HydrophobicContact CB-CD2 3.83Å; N210-L216 HydrophobicContact CB-CG 4.11Å; V214-L216 PolarHBondContact O-N 2.98Å; L216-R218 PolarHBondContact O-N 2.91Å; L216-A219 PolarHBondContact O-N 3.4Å; L216-F220 WeakPolarHBondContact O-CD2 3.46Å; L216-E252 HydrophobicContact CD2-CB 4.03Å; L216-E252 HydrophobicContact CD2-CG 4.27Å; L216-E254 HydrophobicContact CD1-CB 3.73Å; L216-E254 HydrophobicContact CD1-CG 4.06Å; L216-E254 HydrophobicContact CD2-CB 4.2Å; L216-V255 HydrophobicContact CD2-CG2 4.03Å
217	N	97.9	Very high	96.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-87.7	15.9	177.2	-154.3	21.4	0	0	0	112.8	M143 D215 G361 G362 M363	M143-N217 VanDerWaalsContact CE-CA 3.45Å; M143-N217 HydrophobicContact CE-CB 3.37Å; M143-N217 HydrophobicContact SD-CB 3.81Å; D215-N217 PolarHBondContact O-N 3.07Å; D215-N217 WeakPolarHBondContact OD1-CA 3.48Å; D215-N217 PolarHBondContact OD1-N 2.93Å; N217-G361 CarbonylContact C-O 3.59Å; N217-G362 WeakPolarHBondContact OD1-CA 3.21Å; N217-M363 PolarHBondContact OD1-N 3.45Å
218	R	96.8	Very high	96.2	Very high	86 Å²	86	31.6 Å²	31.6	33%	0.325	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-129.1	4.7	169.9	-58.9	-64.7	-177.9	-84.7	0.7	112	D215 L216 R360 G361	D215-R218 HydrophobicContact CB-CB 4.23Å; D215-R218 HydrophobicContact CB-CG 4.02Å; D215-R218 PolarHBondContact O-N 3.39Å; L216-R218 PolarHBondContact O-N 2.91Å; R218-R360 WeakPolarHBondContact CD-O 3.46Å; R218-G361 CarbonylContact C-O 3.54Å; R218-G361 VanDerWaalsContact C-O 3.25Å; R218-G361 VanDerWaalsContact CA-O 3.3Å; R218-G361 WeakPolarHBondContact CA-O 3.48Å; R218-G361 PolarHBondContact N-O 2.79Å
219	A	95.8	Very high	96	Very high	23 Å²	23	31.8 Å²	31.8	19%	0.19	17%	0.174	C	C	.	.			trans	-110.9	-2.5	-169.4	0	0	0	0	0	113.2	V214 D215 L216 V255 G361	V214-A219 HydrophobicContact CG1-CB 3.94Å; D215-A219 PolarHBondContact O-N 2.81Å; L216-A219 PolarHBondContact O-N 3.4Å; A219-V255 HydrophobicContact CB-CG2 3.76Å; A219-G361 PolarHBondContact N-O 3.04Å
220	F	95.7	Very high	95.8	Very high	8 Å²	8	31 Å²	31	4%	0.035	17%	0.169	C	C	.	.	S	Bend	trans	-74.2	157.2	171	-77.7	-97.4	0	0	0	111.2	M143 M187 L216 D222 V255 V258 I262 G361 M363 F366	M143-F220 HydrophobicContact CE-CE2 4.29Å; M187-F220 HydrophobicContact CE-CE2 3.8Å; M187-F220 HydrophobicContact CE-CZ 3.77Å; L216-F220 WeakPolarHBondContact O-CD2 3.46Å; F220-D222 PolarHBondContact O-N 3.28Å; F220-V255 HydrophobicContact CD1-CG1 4.03Å; F220-V255 HydrophobicContact CD2-CG1 4.25Å; F220-V255 HydrophobicContact CD2-CG2 4.49Å; F220-V255 HydrophobicContact CE1-CG1 4.11Å; F220-V255 HydrophobicContact CE2-CG1 4.31Å; F220-V255 HydrophobicContact CE2-CG2 4.27Å; F220-V255 HydrophobicContact CG-CG1 4.11Å; F220-V255 HydrophobicContact CZ-CG1 4.25Å; F220-V258 HydrophobicContact CE1-CG1 4.24Å; F220-V258 HydrophobicContact CZ-CB 4.19Å; F220-V258 HydrophobicContact CZ-CG1 3.9Å; F220-I262 HydrophobicContact CE1-CD1 4.5Å; F220-G361 WeakPolarHBondContact CB-O 3.34Å; F220-G361 PolarHBondContact N-O 2.97Å; F220-G361 WeakPolarHBondContact O-CA 3.47Å; F220-M363 HydrophobicContact CD2-CB 3.76Å; F220-M363 HydrophobicContact CD2-CG 4.32Å; F220-M363 HydrophobicContact CE1-CB 4.38Å; F220-M363 HydrophobicContact CE1-CG 3.91Å; F220-M363 HydrophobicContact CE1-SD 4.45Å; F220-M363 HydrophobicContact CE2-CB 3.49Å; F220-M363 VanDerWaalsContact CE2-CB 3.49Å; F220-M363 HydrophobicContact CE2-CG 3.7Å; F220-M363 HydrophobicContact CE2-SD 3.96Å; F220-M363 HydrophobicContact CG-CB 4.32Å; F220-M363 HydrophobicContact CZ-CB 3.82Å; F220-M363 HydrophobicContact CZ-CG 3.46Å; F220-M363 VanDerWaalsContact CZ-CG 3.46Å; F220-M363 HydrophobicContact CZ-SD 3.59Å; F220-M363 VanDerWaalsContact CZ-SD 3.59Å; F220-F366 HydrophobicContact CB-CB 4.01Å; F220-F366 HydrophobicContact CB-CG 4.28Å; F220-F366 HydrophobicContact CD1-CB 3.94Å; F220-F366 AromaticContact CD1-CD1 3.54Å; F220-F366 HydrophobicContact CD1-CD1 3.54Å; F220-F366 HydrophobicContact CD1-CD2 4.2Å; F220-F366 HydrophobicContact CD1-CE1 4.09Å; F220-F366 AromaticContact CD1-CG 3.6Å; F220-F366 HydrophobicContact CD1-CG 3.6Å; F220-F366 AromaticContact CE1-CD1 3.91Å; F220-F366 HydrophobicContact CE1-CD1 3.91Å; F220-F366 HydrophobicContact CE1-CE1 4.27Å; F220-F366 HydrophobicContact CE1-CG 4.42Å; F220-F366 HydrophobicContact CG-CB 4.23Å; F220-F366 HydrophobicContact CG-CG 4.32Å
221	P	94.3	Very high	95.6	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.032	19%	0.187	C	C	.	.			trans	-58.6	129.3	175.8	-21.1	32.8	0	0	0	111.8	L223 L242 M245 F366 Y555 F556	P221-L223 VanDerWaalsContact C-N 3.31Å; P221-L223 PolarHBondContact O-N 2.81Å; P221-L242 HydrophobicContact CB-CD1 4.33Å; P221-L242 HydrophobicContact CG-CD1 4.28Å; P221-M245 HydrophobicContact CB-CE 3.97Å; P221-M245 HydrophobicContact CB-SD 3.42Å; P221-M245 WeakPolarHBondContact CB-SD 3.3Å; P221-F366 HydrophobicContact CB-CD2 4.21Å; P221-F366 HydrophobicContact CB-CE2 4.27Å; P221-F366 HydrophobicContact CG-CD2 3.94Å; P221-F366 HydrophobicContact CG-CE2 3.7Å; P221-Y555 HydrophobicContact CB-CE1 4.23Å; P221-Y555 WeakPolarHBondContact CB-OH 3.1Å; P221-Y555 HydrophobicContact CG-CD1 4.34Å; P221-Y555 HydrophobicContact CG-CE1 3.34Å; P221-Y555 WeakPolarHBondContact CG-OH 3.37Å; P221-F556 HydrophobicContact CG-CZ 4.34Å
222	D	93.2	Very high	95.4	Very high	31 Å²	31	40.7 Å²	40.7	17%	0.166	20%	0.2	C	C	.	.			trans	-77	78.2	-179.3	-179.1	7.5	0	0	0	111.3	F220 D224 S225 R360	F220-D222 PolarHBondContact O-N 3.28Å; D222-D224 VanDerWaalsContact C-N 3.31Å; D222-S225 VanDerWaalsContact CG-OG 3.23Å; D222-S225 WeakPolarHBondContact OD1-CB 3.39Å; D222-S225 PolarHBondContact OD1-N 3.37Å; D222-S225 PolarHBondContact OD1-OG 3.38Å; D222-S225 WeakPolarHBondContact OD2-CB 3.46Å; D222-S225 PolarHBondContact OD2-OG 3.34Å; D222-R360 HydrophobicContact CB-CB 4.45Å
223	L	94.7	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-20.9	178.5	-65.1	177.6	0	0	0	112.8	P221 L226 L227 L241 M245 F366 L369 A370	P221-L223 VanDerWaalsContact C-N 3.31Å; P221-L223 PolarHBondContact O-N 2.81Å; L223-L226 HydrophobicContact CD2-CD2 4.34Å; L223-L226 WeakPolarHBondContact O-CB 3.3Å; L223-L226 PolarHBondContact O-N 3.12Å; L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.48Å; L223-L241 HydrophobicContact CD2-CB 4.02Å; L223-M245 HydrophobicContact CD2-CG 3.62Å; L223-M245 HydrophobicContact CD2-SD 3.25Å; L223-M245 WeakPolarHBondContact CD2-SD 3.25Å; L223-M245 HydrophobicContact CG-SD 4.11Å; L223-F366 HydrophobicContact CD1-CD2 3.8Å; L223-F366 HydrophobicContact CD1-CE2 4.2Å; L223-F366 HydrophobicContact CG-CD2 4.47Å; L223-L369 VanDerWaalsContact C-CD1 3.49Å; L223-L369 HydrophobicContact CB-CB 3.6Å; L223-L369 HydrophobicContact CB-CD1 3.66Å; L223-L369 HydrophobicContact CB-CG 4.29Å; L223-L369 HydrophobicContact CD1-CB 3.74Å; L223-L369 HydrophobicContact CG-CB 4.32Å; L223-A370 HydrophobicContact CD1-CB 3.63Å
224	D	95.3	Very high	95	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-50.3	176.9	-58.3	-96.2	0	0	0	111.2	D222 L226 L227 Y228 F284 L286 D365 L369	D222-D224 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 3Å; D224-L227 WeakPolarHBondContact O-CB 3.48Å; D224-L227 PolarHBondContact O-N 3.1Å; D224-Y228 HydrophobicContact CB-CE2 4.12Å; D224-Y228 VanDerWaalsContact O-CD2 3.32Å; D224-Y228 WeakPolarHBondContact O-CD2 3.37Å; D224-Y228 PolarHBondContact O-N 3.44Å; D224-F284 WeakPolarHBondContact OD1-CD1 3.41Å; D224-L286 HydrophobicContact CB-CB 3.79Å; D224-L286 HydrophobicContact CB-CD2 3.53Å; D224-L286 HydrophobicContact CB-CG 4.26Å; D224-D365 WeakPolarHBondContact OD1-CB 3.01Å; D224-D365 WeakPolarHBondContact OD2-CB 3.46Å; D224-L369 HydrophobicContact CB-CD1 4.44Å
225	S	93.9	Very high	94.7	Very high	41 Å²	41	42.4 Å²	42.4	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-57.3	-36.4	175.5	-73	0	0	0	0	112.3	D222 T229	D222-S225 VanDerWaalsContact CG-OG 3.23Å; D222-S225 WeakPolarHBondContact OD1-CB 3.39Å; D222-S225 PolarHBondContact OD1-N 3.37Å; D222-S225 PolarHBondContact OD1-OG 3.38Å; D222-S225 WeakPolarHBondContact OD2-CB 3.46Å; D222-S225 PolarHBondContact OD2-OG 3.34Å; S225-T229 WeakPolarHBondContact O-CB 3.49Å; S225-T229 PolarHBondContact O-N 2.79Å; S225-T229 VanDerWaalsContact O-N 3.16Å; S225-T229 PolarHBondContact O-OG1 3.48Å
226	L	93.2	Very high	94.3	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-49.1	176.6	-177.8	59.9	0	0	0	111.3	L223 D224 Y228 T229 F230 L241 M245	L223-L226 HydrophobicContact CD2-CD2 4.34Å; L223-L226 WeakPolarHBondContact O-CB 3.3Å; L223-L226 PolarHBondContact O-N 3.12Å; D224-L226 PolarHBondContact O-N 3Å; L226-Y228 VanDerWaalsContact C-N 3.34Å; L226-Y228 PolarHBondContact O-N 2.89Å; L226-T229 WeakPolarHBondContact O-CB 3.3Å; L226-T229 PolarHBondContact O-N 2.78Å; L226-T229 VanDerWaalsContact O-N 3.11Å; L226-F230 HydrophobicContact CD1-CE1 3.87Å; L226-F230 HydrophobicContact CD1-CE2 3.89Å; L226-F230 HydrophobicContact CD1-CZ 3.53Å; L226-F230 HydrophobicContact CD2-CE2 4.26Å; L226-F230 HydrophobicContact CD2-CZ 4.45Å; L226-F230 HydrophobicContact CG-CD2 4.3Å; L226-F230 HydrophobicContact CG-CE2 3.77Å; L226-F230 HydrophobicContact CG-CZ 3.96Å; L226-F230 PolarHBondContact O-N 2.76Å; L226-L241 HydrophobicContact CD2-CB 4.27Å; L226-M245 HydrophobicContact CD2-CG 3.79Å
227	L	95.2	Very high	93.8	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-53	-51.4	174.2	173.7	66.9	0	0	0	110.8	L223 D224 T229 F230 E231 N238 L241 F284 L369	L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.48Å; D224-L227 WeakPolarHBondContact O-CB 3.48Å; D224-L227 PolarHBondContact O-N 3.1Å; L227-T229 PolarHBondContact O-N 3.47Å; L227-F230 PolarHBondContact O-N 3.06Å; L227-E231 HydrophobicContact CD1-CG 4.21Å; L227-E231 HydrophobicContact CG-CG 4.31Å; L227-E231 WeakPolarHBondContact O-CG 3.48Å; L227-E231 PolarHBondContact O-N 3.02Å; L227-N238 HydrophobicContact CD1-CB 4.31Å; L227-L241 HydrophobicContact CB-CD1 3.72Å; L227-L241 HydrophobicContact CD1-CD1 4.16Å; L227-F284 HydrophobicContact CD2-CE1 4.25Å; L227-F284 HydrophobicContact CD2-CE2 3.86Å; L227-F284 HydrophobicContact CD2-CZ 3.49Å; L227-F284 VanDerWaalsContact CD2-CZ 3.49Å; L227-L369 HydrophobicContact CB-CD1 4.47Å; L227-L369 HydrophobicContact CD2-CD1 4.46Å; L227-L369 HydrophobicContact CD2-CD2 3.88Å
228	Y	94.8	Very high	93.4	Very high	6 Å²	6	49.5 Å²	49.5	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-29.9	-177.5	-57.6	-22.1	0	0	0	112	D224 L226 R232 F284 L286 R288 S296	D224-Y228 HydrophobicContact CB-CE2 4.12Å; D224-Y228 VanDerWaalsContact O-CD2 3.32Å; D224-Y228 WeakPolarHBondContact O-CD2 3.37Å; D224-Y228 PolarHBondContact O-N 3.44Å; L226-Y228 VanDerWaalsContact C-N 3.34Å; L226-Y228 PolarHBondContact O-N 2.89Å; Y228-R232 WeakPolarHBondContact O-CB 3.29Å; Y228-R232 VanDerWaalsContact O-CG 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.07Å; Y228-R232 PolarHBondContact O-N 3.44Å; Y228-R232 PolarHBondContact O-NE 3.29Å; Y228-F284 HydrophobicContact CE1-CD2 4.37Å; Y228-F284 WeakPolarHBondContact OH-CB 3.49Å; Y228-F284 WeakPolarHBondContact OH-CG 3.43Å; Y228-L286 HydrophobicContact CD2-CD2 4.31Å; Y228-L286 HydrophobicContact CE2-CB 4.22Å; Y228-L286 HydrophobicContact CE2-CD2 3.9Å; Y228-L286 HydrophobicContact CE2-CG 4Å; Y228-L286 PolarHBondContact OH-O 3.45Å; Y228-R288 HydrophobicContact CD1-CG 3.64Å; Y228-R288 HydrophobicContact CD2-CG 4.08Å; Y228-R288 HydrophobicContact CE1-CG 3.44Å; Y228-R288 VanDerWaalsContact CE1-CG 3.44Å; Y228-R288 HydrophobicContact CE2-CB 4.49Å; Y228-R288 HydrophobicContact CE2-CG 3.88Å; Y228-R288 HydrophobicContact CG-CG 3.97Å; Y228-S296 PolarHBondContact OH-OG 2.84Å
229	T	93.3	Very high	93.2	Very high	40 Å²	40	46.2 Å²	46.2	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-42.6	172.7	-61.3	0	0	0	0	111.7	S225 L226 L227 R232 R233	S225-T229 WeakPolarHBondContact O-CB 3.49Å; S225-T229 PolarHBondContact O-N 2.79Å; S225-T229 VanDerWaalsContact O-N 3.16Å; S225-T229 PolarHBondContact O-OG1 3.48Å; L226-T229 WeakPolarHBondContact O-CB 3.3Å; L226-T229 PolarHBondContact O-N 2.78Å; L226-T229 VanDerWaalsContact O-N 3.11Å; L227-T229 PolarHBondContact O-N 3.47Å; T229-R232 PolarHBondContact O-N 3.33Å; T229-R232 PolarHBondContact OG1-NH2 3.33Å; T229-R233 WeakPolarHBondContact O-CB 3.49Å; T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 3.23Å; T229-R233 VanDerWaalsContact O-N 3.12Å
230	F	94	Very high	93.1	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-42.7	174.1	-67	-21.4	0	0	0	112.4	L226 L227 R232 R233 G234 I235 L237 L241 Y244	L226-F230 HydrophobicContact CD1-CE1 3.87Å; L226-F230 HydrophobicContact CD1-CE2 3.89Å; L226-F230 HydrophobicContact CD1-CZ 3.53Å; L226-F230 HydrophobicContact CD2-CE2 4.26Å; L226-F230 HydrophobicContact CD2-CZ 4.45Å; L226-F230 HydrophobicContact CG-CD2 4.3Å; L226-F230 HydrophobicContact CG-CE2 3.77Å; L226-F230 HydrophobicContact CG-CZ 3.96Å; L226-F230 PolarHBondContact O-N 2.76Å; L227-F230 PolarHBondContact O-N 3.06Å; F230-R232 PolarHBondContact O-N 3.05Å; F230-R233 CarbonylContact O-C 3.3Å; F230-R233 PolarHBondContact O-N 2.98Å; F230-G234 PolarHBondContact O-N 3.29Å; F230-I235 HydrophobicContact CB-CB 4.07Å; F230-I235 HydrophobicContact CB-CG2 4.46Å; F230-I235 HydrophobicContact CD1-CB 4.31Å; F230-I235 HydrophobicContact CD1-CD1 3.91Å; F230-I235 HydrophobicContact CD1-CG2 4.32Å; F230-I235 HydrophobicContact CE1-CD1 4.39Å; F230-I235 HydrophobicContact CG-CB 4.36Å; F230-I235 HydrophobicContact CG-CG2 4.34Å; F230-I235 PolarHBondContact O-N 3.43Å; F230-L237 HydrophobicContact CD2-CB 3.69Å; F230-L237 HydrophobicContact CD2-CD1 4.31Å; F230-L237 HydrophobicContact CE2-CB 3.99Å; F230-L237 HydrophobicContact CE2-CD1 3.9Å; F230-L237 HydrophobicContact CG-CB 4.42Å; F230-L237 HydrophobicContact CZ-CD1 4.15Å; F230-L241 HydrophobicContact CD2-CD2 4.21Å; F230-L241 HydrophobicContact CE2-CD2 4.18Å; F230-Y244 HydrophobicContact CE2-CD2 4.34Å; F230-Y244 HydrophobicContact CE2-CG 4.24Å; F230-Y244 HydrophobicContact CZ-CG 4.15Å
231	E	93.3	Very high	93	Very high	85 Å²	85	46.3 Å²	46.3	40%	0.397	24%	0.243	S	C	.	.	H	α-helix	trans	-57	-48.9	174.8	-72.6	-176.3	159	0	0	111.2	L227 R233 G234 R288	L227-E231 HydrophobicContact CD1-CG 4.21Å; L227-E231 HydrophobicContact CG-CG 4.31Å; L227-E231 WeakPolarHBondContact O-CG 3.48Å; L227-E231 PolarHBondContact O-N 3.02Å; E231-R233 VanDerWaalsContact C-N 3.28Å; E231-R233 PolarHBondContact O-N 2.77Å; E231-G234 PolarHBondContact O-N 2.91Å; E231-G234 VanDerWaalsContact O-N 3.15Å; E231-R288 IonicContact OE1-NE 3.77Å; E231-R288 IonicContact OE1-NH2 3.45Å; E231-R288 PolarHBondContact OE1-NH2 2.83Å; E231-R288 IonicContact OE2-CZ 3.58Å; E231-R288 IonicContact OE2-NE 3.16Å; E231-R288 PolarHBondContact OE2-NE 3.25Å; E231-R288 IonicContact OE2-NH2 2.78Å
232	R	93.7	Very high	92.8	Very high	166 Å²	166	46.4 Å²	46.4	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-62.5	-32.4	178.1	-76.5	-175.5	-65.4	-97.1	-0.4	113.4	Y228 T229 F230	Y228-R232 WeakPolarHBondContact O-CB 3.29Å; Y228-R232 VanDerWaalsContact O-CG 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.07Å; Y228-R232 PolarHBondContact O-N 3.44Å; Y228-R232 PolarHBondContact O-NE 3.29Å; T229-R232 PolarHBondContact O-N 3.33Å; T229-R232 PolarHBondContact OG1-NH2 3.33Å; F230-R232 PolarHBondContact O-N 3.05Å
233	R	94.4	Very high	92.4	Very high	182 Å²	182	49 Å²	49	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-87.6	-3	178.6	-69	179.8	178.2	-179.6	0.3	113.5	T229 F230 E231 I235	T229-R233 WeakPolarHBondContact O-CB 3.49Å; T229-R233 WeakPolarHBondContact O-CG 3.38Å; T229-R233 PolarHBondContact O-N 3.23Å; T229-R233 VanDerWaalsContact O-N 3.12Å; F230-R233 CarbonylContact O-C 3.3Å; F230-R233 PolarHBondContact O-N 2.98Å; E231-R233 VanDerWaalsContact C-N 3.28Å; E231-R233 PolarHBondContact O-N 2.77Å; R233-I235 HydrophobicContact CB-CD1 3.88Å; R233-I235 HydrophobicContact CB-CG1 3.94Å; R233-I235 PolarHBondContact O-N 3.27Å
234	G	92.4	Very high	92	Very high	63 Å²	63	53.7 Å²	53.7	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	19.2	-176.4	0	0	0	0	0	114.1	F230 E231	F230-G234 PolarHBondContact O-N 3.29Å; E231-G234 PolarHBondContact O-N 2.91Å; E231-G234 VanDerWaalsContact O-N 3.15Å
235	I	91.4	Very high	91.4	Very high	64 Å²	64	56 Å²	56	33%	0.328	28%	0.284	S	S	.	.			trans	-80.3	123.4	179	-62.6	171.2	0	0	0	108.2	F230 R233 L237	F230-I235 HydrophobicContact CB-CB 4.07Å; F230-I235 HydrophobicContact CB-CG2 4.46Å; F230-I235 HydrophobicContact CD1-CB 4.31Å; F230-I235 HydrophobicContact CD1-CD1 3.91Å; F230-I235 HydrophobicContact CD1-CG2 4.32Å; F230-I235 HydrophobicContact CE1-CD1 4.39Å; F230-I235 HydrophobicContact CG-CB 4.36Å; F230-I235 HydrophobicContact CG-CG2 4.34Å; F230-I235 PolarHBondContact O-N 3.43Å; R233-I235 HydrophobicContact CB-CD1 3.88Å; R233-I235 HydrophobicContact CB-CG1 3.94Å; R233-I235 PolarHBondContact O-N 3.27Å; I235-L237 HydrophobicContact CG2-CB 4.16Å; I235-L237 HydrophobicContact CG2-CD1 3.8Å; I235-L237 HydrophobicContact CG2-CG 3.79Å; I235-L237 PolarHBondContact O-N 3.06Å
236	P	87.9	Confident	90.5	Very high	114 Å²	114	59 Å²	59	74%	0.74	30%	0.304	S	S	*	.			trans	-80.2	35	-171.7	34.4	-37.5	0	0	0	114
237	L	89.2	Confident	89.2	Confident	41 Å²	41	64.6 Å²	64.6	22%	0.215	33%	0.33	C	S	.	.			trans	-97.5	116.6	175.9	-65.7	174.8	0	0	0	109.5	F230 I235 L241 Y244	F230-L237 HydrophobicContact CD2-CB 3.69Å; F230-L237 HydrophobicContact CD2-CD1 4.31Å; F230-L237 HydrophobicContact CE2-CB 3.99Å; F230-L237 HydrophobicContact CE2-CD1 3.9Å; F230-L237 HydrophobicContact CG-CB 4.42Å; F230-L237 HydrophobicContact CZ-CD1 4.15Å; I235-L237 HydrophobicContact CG2-CB 4.16Å; I235-L237 HydrophobicContact CG2-CD1 3.8Å; I235-L237 HydrophobicContact CG2-CG 3.79Å; I235-L237 PolarHBondContact O-N 3.06Å; L237-L241 HydrophobicContact CB-CD2 4.08Å; L237-Y244 HydrophobicContact CD1-CD1 3.97Å; L237-Y244 HydrophobicContact CD1-CD2 4.19Å; L237-Y244 HydrophobicContact CD1-CE1 3.55Å; L237-Y244 HydrophobicContact CD1-CE2 3.81Å; L237-Y244 HydrophobicContact CD1-CG 4.28Å; L237-Y244 HydrophobicContact CD2-CE2 4.08Å; L237-Y244 HydrophobicContact CG-CE2 4.43Å
238	N	89.4	Confident	87.6	Confident	25 Å²	25	66.7 Å²	66.7	13%	0.134	35%	0.345	C	S	.	.			trans	-143.4	11.5	-168.1	59.5	34.6	0	0	0	114.9	L227 K446 H447	L227-N238 HydrophobicContact CD1-CB 4.31Å; N238-K446 HydrophobicContact CB-CB 4.49Å; N238-K446 VanDerWaalsContact CB-O 3.3Å; N238-K446 WeakPolarHBondContact CB-O 3.22Å; N238-K446 VanDerWaalsContact CG-O 3.27Å; N238-K446 WeakPolarHBondContact ND2-CA 3.37Å; N238-H447 PolarHBondContact O-ND1 3.08Å; N238-H447 VanDerWaalsContact O-ND1 3.14Å; N238-H447 WeakPolarHBondContact OD1-CA 3.18Å
239	S	92.1	Very high	86.3	Confident	17 Å²	17	71.1 Å²	71.1	12%	0.119	38%	0.377	C	S	.	.	S	Bend	trans	-164.1	153.1	-177.9	61.5	0	0	0	0	109	L241 H447 N448	S239-L241 VanDerWaalsContact C-N 3.29Å; S239-L241 PolarHBondContact O-N 3.4Å; S239-H447 WeakPolarHBondContact CB-ND1 3.39Å; S239-N448 VanDerWaalsContact CB-O 3.24Å; S239-N448 WeakPolarHBondContact CB-O 3.38Å; S239-N448 PolarHBondContact OG-O 3.12Å
240	H	93.9	Very high	85.8	Confident	34 Å²	34	77.9 Å²	77.9	16%	0.157	41%	0.406	C	S	.	.			trans	56.6	43.1	179.5	-56.1	79.4	0	0	0	112.2	L242 L369 N372 I450	H240-L242 VanDerWaalsContact C-N 3.29Å; H240-L242 PolarHBondContact O-N 3.1Å; H240-L369 CarbonylContact C-O 3.45Å; H240-L369 VanDerWaalsContact CA-O 3.3Å; H240-L369 WeakPolarHBondContact CA-O 3.29Å; H240-L369 PolarHBondContact N-O 3.47Å; H240-N372 PolarHBondContact CE1-OD1 3.47Å; H240-N372 PolarHBondContact NE2-OD1 3.15Å; H240-I450 WeakPolarHBondContact NE2-CG1 3.02Å
241	L	93.6	Very high	85.6	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-77.9	-10	-168.4	-60.9	-175	0	0	0	114.5	L223 L226 L227 F230 L237 S239 E243 Y244 L369	L223-L241 HydrophobicContact CD2-CB 4.02Å; L226-L241 HydrophobicContact CD2-CB 4.27Å; L227-L241 HydrophobicContact CB-CD1 3.72Å; L227-L241 HydrophobicContact CD1-CD1 4.16Å; F230-L241 HydrophobicContact CD2-CD2 4.21Å; F230-L241 HydrophobicContact CE2-CD2 4.18Å; L237-L241 HydrophobicContact CB-CD2 4.08Å; S239-L241 VanDerWaalsContact C-N 3.29Å; S239-L241 PolarHBondContact O-N 3.4Å; L241-E243 PolarHBondContact O-N 3.4Å; L241-Y244 PolarHBondContact O-N 3.36Å; L241-L369 HydrophobicContact CD1-CB 4.45Å; L241-L369 HydrophobicContact CD1-CD2 4.26Å; L241-L369 PolarHBondContact N-O 2.82Å
242	L	90.7	Very high	85.8	Confident	6 Å²	6	75.1 Å²	75.1	3%	0.031	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-59.3	-34.8	-175.7	-174.4	64.6	0	0	0	112.5	P221 H240 Y244 M245 L263 F366 A370 Y555 F556	P221-L242 HydrophobicContact CB-CD1 4.33Å; P221-L242 HydrophobicContact CG-CD1 4.28Å; H240-L242 VanDerWaalsContact C-N 3.29Å; H240-L242 PolarHBondContact O-N 3.1Å; L242-Y244 PolarHBondContact O-N 3.44Å; L242-Y244 VanDerWaalsContact O-N 3.14Å; L242-M245 HydrophobicContact CD1-SD 4.2Å; L242-M245 WeakPolarHBondContact O-CB 3.49Å; L242-M245 PolarHBondContact O-N 2.88Å; L242-M245 VanDerWaalsContact O-N 3.07Å; L242-L263 HydrophobicContact CD2-CD1 3.64Å; L242-L263 HydrophobicContact CD2-CD2 4.33Å; L242-F366 HydrophobicContact CD1-CE2 4.19Å; L242-F366 HydrophobicContact CD2-CE2 4.48Å; L242-F366 HydrophobicContact CD2-CZ 4.48Å; L242-A370 HydrophobicContact CB-CB 4.29Å; L242-Y555 HydrophobicContact CD1-CD1 4.08Å; L242-Y555 HydrophobicContact CD1-CD2 4.24Å; L242-Y555 HydrophobicContact CD1-CE1 4.33Å; L242-Y555 HydrophobicContact CD1-CE2 4.49Å; L242-Y555 HydrophobicContact CD1-CG 4Å; L242-F556 HydrophobicContact CD1-CE2 4.46Å; L242-F556 HydrophobicContact CD2-CD2 3.96Å; L242-F556 HydrophobicContact CD2-CE2 3.68Å
243	E	84.7	Confident	85.9	Confident	86 Å²	86	68.7 Å²	68.7	40%	0.402	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19.8	178.5	70.3	-174.8	177.2	0	0	113.6	L241	L241-E243 PolarHBondContact O-N 3.4Å
244	Y	86.2	Confident	86.1	Confident	98 Å²	98	60 Å²	60	38%	0.384	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-97.2	1.4	178.8	-54	-82.6	0	0	0	113.3	F230 L237 L241 L242	F230-Y244 HydrophobicContact CE2-CD2 4.34Å; F230-Y244 HydrophobicContact CE2-CG 4.24Å; F230-Y244 HydrophobicContact CZ-CG 4.15Å; L237-Y244 HydrophobicContact CD1-CD1 3.97Å; L237-Y244 HydrophobicContact CD1-CD2 4.19Å; L237-Y244 HydrophobicContact CD1-CE1 3.55Å; L237-Y244 HydrophobicContact CD1-CE2 3.81Å; L237-Y244 HydrophobicContact CD1-CG 4.28Å; L237-Y244 HydrophobicContact CD2-CE2 4.08Å; L237-Y244 HydrophobicContact CG-CE2 4.43Å; L241-Y244 PolarHBondContact O-N 3.36Å; L242-Y244 PolarHBondContact O-N 3.44Å; L242-Y244 VanDerWaalsContact O-N 3.14Å
245	M	83	Confident	86.3	Confident	50 Å²	50	57 Å²	57	25%	0.246	31%	0.31	C	S	.	.	S	Bend	trans	-81.8	132.7	173	-71.1	-162.2	78.8	0	0	110.3	P221 L223 L226 L242 Y555	P221-M245 HydrophobicContact CB-CE 3.97Å; P221-M245 HydrophobicContact CB-SD 3.42Å; P221-M245 WeakPolarHBondContact CB-SD 3.3Å; L223-M245 HydrophobicContact CD2-CG 3.62Å; L223-M245 HydrophobicContact CD2-SD 3.25Å; L223-M245 WeakPolarHBondContact CD2-SD 3.25Å; L223-M245 HydrophobicContact CG-SD 4.11Å; L226-M245 HydrophobicContact CD2-CG 3.79Å; L242-M245 HydrophobicContact CD1-SD 4.2Å; L242-M245 WeakPolarHBondContact O-CB 3.49Å; L242-M245 PolarHBondContact O-N 2.88Å; L242-M245 VanDerWaalsContact O-N 3.07Å; M245-Y555 HydrophobicContact CB-CE2 4.42Å
246	S	75	Confident	86.5	Confident	103 Å²	103	58.1 Å²	58.1	72%	0.72	31%	0.31	S	S	*	.			trans	-62.6	145.1	163.3	55.9	0	0	0	0	109.9	S248	S246-S248 PolarHBondContact O-N 3.35Å
247	E	64.3	Low	86.9	Confident	151 Å²	151	53.2 Å²	53.2	71%	0.706	28%	0.278	S	S	*	.			trans	-42.8	128.8	175.2	-70.4	-177.2	174.3	0	0	111.2
248	S	62.3	Low	87.4	Confident	48 Å²	48	51.2 Å²	51.2	34%	0.336	27%	0.268	S	S	.	.			trans	-91.4	169.1	-177.1	68.6	0	0	0	0	112.8	S246 Y555	S246-S248 PolarHBondContact O-N 3.35Å; S248-Y555 VanDerWaalsContact CB-CZ 3.41Å; S248-Y555 WeakPolarHBondContact CB-OH 3.31Å; S248-Y555 WeakPolarHBondContact OG-CE2 3.41Å; S248-Y555 PolarHBondContact OG-OH 3.34Å
249	S	67.4	Low	87.6	Confident	100 Å²	100	50 Å²	50	70%	0.699	26%	0.262	S	S	*	.	S	Bend	trans	-44.2	154.9	157.2	50.3	0	0	0	0	112.8	L251	S249-L251 PolarHBondContact O-N 3.15Å
250	E	82.1	Confident	87.7	Confident	181 Å²	181	50.8 Å²	50.8	85%	0.846	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-52	120	173	-170.7	172.9	-172.7	0	0	110.8
251	L	91.6	Very high	87.9	Confident	18 Å²	18	49.4 Å²	49.4	9%	0.094	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-79.7	148.9	177.1	-57.3	173.8	0	0	0	110.9	S249 V255 R256 Y555 F556	S249-L251 PolarHBondContact O-N 3.15Å; L251-V255 HydrophobicContact CB-CG1 4.47Å; L251-V255 HydrophobicContact CD1-CG1 4.48Å; L251-V255 HydrophobicContact CD2-CG1 4.4Å; L251-R256 HydrophobicContact CB-CB 4.43Å; L251-R256 PolarHBondContact O-NH1 3.04Å; L251-R256 PolarHBondContact O-NH2 3.38Å; L251-Y555 HydrophobicContact CD1-CD1 4.14Å; L251-Y555 HydrophobicContact CD1-CE1 3.68Å; L251-Y555 HydrophobicContact CD2-CE1 4.29Å; L251-Y555 HydrophobicContact CG-CE1 4.4Å; L251-F556 HydrophobicContact CD1-CD1 3.86Å; L251-F556 HydrophobicContact CD1-CE1 3.35Å; L251-F556 HydrophobicContact CD1-CZ 4.01Å
252	E	96.2	Very high	88.1	Confident	31 Å²	31	49.5 Å²	49.5	15%	0.145	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-57.9	144.9	166.8	-67.6	-55.9	137.1	0	0	110.5	N210 H212 V214 L216 E254 V255 R256	N210-E252 VanDerWaalsContact ND2-CD 3.33Å; N210-E252 WeakPolarHBondContact ND2-CG 3.25Å; N210-E252 PolarHBondContact ND2-OE2 3.22Å; H212-E252 IonicContact CG-OE2 3.05Å; H212-E252 IonicContact ND1-OE1 3.89Å; H212-E252 IonicContact ND1-OE2 2.94Å; H212-E252 PolarHBondContact ND1-OE2 3.01Å; V214-E252 HydrophobicContact CB-CG 3.91Å; V214-E252 HydrophobicContact CG1-CG 3.86Å; V214-E252 HydrophobicContact CG2-CG 4.22Å; V214-E252 WeakPolarHBondContact CG2-OE1 3.49Å; L216-E252 HydrophobicContact CD2-CB 4.03Å; L216-E252 HydrophobicContact CD2-CG 4.27Å; E252-E254 PolarHBondContact O-N 3.44Å; E252-V255 HydrophobicContact CB-CB 4.45Å; E252-V255 HydrophobicContact CB-CG2 4.1Å; E252-V255 PolarHBondContact O-N 3.15Å; E252-R256 PolarHBondContact O-N 3.48Å
253	P	96.9	Very high	88.2	Confident	31 Å²	31	51.7 Å²	51.7	20%	0.201	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-34.4	-175.5	25.6	-33.9	0	0	0	112.6	V113 R256 A257	V113-P253 HydrophobicContact CB-CG 4.27Å; V113-P253 HydrophobicContact CG2-CG 3.44Å; V113-P253 VanDerWaalsContact CG2-CG 3.44Å; P253-R256 PolarHBondContact O-N 3.39Å; P253-A257 VanDerWaalsContact O-CB 3.29Å; P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.17Å
254	E	98.4	Very high	88.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-42.1	174.6	-58.1	85.4	176.2	0	0	112	S112 V113 L118 M187 N210 L216 E252 A257 V258	S112-E254 WeakPolarHBondContact CA-OE1 3.31Å; S112-E254 VanDerWaalsContact CB-OE1 3.25Å; S112-E254 WeakPolarHBondContact CB-OE1 3.28Å; V113-E254 PolarHBondContact N-OE1 2.79Å; V113-E254 VanDerWaalsContact N-OE1 3.14Å; L118-E254 HydrophobicContact CD1-CG 4.33Å; L118-E254 HydrophobicContact CD2-CB 4.14Å; L118-E254 HydrophobicContact CD2-CG 4.28Å; M187-E254 HydrophobicContact CE-CB 4.33Å; M187-E254 WeakPolarHBondContact O-CG 3.36Å; N210-E254 PolarHBondContact ND2-OE2 3.21Å; L216-E254 HydrophobicContact CD1-CB 3.73Å; L216-E254 HydrophobicContact CD1-CG 4.06Å; L216-E254 HydrophobicContact CD2-CB 4.2Å; E252-E254 PolarHBondContact O-N 3.44Å; E254-A257 PolarHBondContact O-N 3.34Å; E254-V258 WeakPolarHBondContact O-CB 3.37Å; E254-V258 WeakPolarHBondContact O-CG2 3.39Å; E254-V258 PolarHBondContact O-N 3.12Å
255	V	97	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-43.3	177	177.6	0	0	0	0	110.3	L216 A219 F220 L251 E252 V258 G259	L216-V255 HydrophobicContact CD2-CG2 4.03Å; A219-V255 HydrophobicContact CB-CG2 3.76Å; F220-V255 HydrophobicContact CD1-CG1 4.03Å; F220-V255 HydrophobicContact CD2-CG1 4.25Å; F220-V255 HydrophobicContact CD2-CG2 4.49Å; F220-V255 HydrophobicContact CE1-CG1 4.11Å; F220-V255 HydrophobicContact CE2-CG1 4.31Å; F220-V255 HydrophobicContact CE2-CG2 4.27Å; F220-V255 HydrophobicContact CG-CG1 4.11Å; F220-V255 HydrophobicContact CZ-CG1 4.25Å; L251-V255 HydrophobicContact CB-CG1 4.47Å; L251-V255 HydrophobicContact CD1-CG1 4.48Å; L251-V255 HydrophobicContact CD2-CG1 4.4Å; E252-V255 HydrophobicContact CB-CB 4.45Å; E252-V255 HydrophobicContact CB-CG2 4.1Å; E252-V255 PolarHBondContact O-N 3.15Å; V255-V258 PolarHBondContact O-N 2.9Å; V255-G259 PolarHBondContact O-N 3.16Å
256	R	95.3	Very high	89.6	Confident	87 Å²	87	42.4 Å²	42.4	33%	0.328	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-48.1	176.6	-173.4	-175.1	-63.6	97.1	5.4	111.2	L251 E252 P253 R260 F556	L251-R256 HydrophobicContact CB-CB 4.43Å; L251-R256 PolarHBondContact O-NH1 3.04Å; L251-R256 PolarHBondContact O-NH2 3.38Å; E252-R256 PolarHBondContact O-N 3.48Å; P253-R256 PolarHBondContact O-N 3.39Å; R256-R260 VanDerWaalsContact O-CB 3.29Å; R256-R260 WeakPolarHBondContact O-CB 3.22Å; R256-R260 PolarHBondContact O-N 3.29Å; R256-F556 HydrophobicContact CG-CD1 4.21Å
257	A	96.6	Very high	90.7	Very high	10 Å²	10	37.6 Å²	37.6	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-47.8	179.4	0	0	0	0	0	111.8	I109 L118 P253 E254 W261	I109-A257 HydrophobicContact CD1-CB 4.43Å; I109-A257 HydrophobicContact CG1-CB 4.28Å; I109-A257 WeakPolarHBondContact O-CB 3.41Å; L118-A257 HydrophobicContact CD2-CB 4.17Å; P253-A257 VanDerWaalsContact O-CB 3.29Å; P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.17Å; E254-A257 PolarHBondContact O-N 3.34Å; A257-W261 VanDerWaalsContact O-CB 3.28Å; A257-W261 WeakPolarHBondContact O-CB 3.27Å; A257-W261 PolarHBondContact O-N 3.35Å
258	V	97.9	Very high	92.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.9	-41.7	-179.3	173.5	0	0	0	0	112.1	I109 L118 L184 M187 F220 E254 V255 R260 W261 I262 M363	I109-V258 HydrophobicContact CD1-CG2 3.68Å; L118-V258 HydrophobicContact CD2-CG2 4.37Å; L184-V258 HydrophobicContact CD2-CG2 4.11Å; M187-V258 HydrophobicContact CE-CB 4.01Å; M187-V258 HydrophobicContact CE-CG1 4.44Å; M187-V258 HydrophobicContact CE-CG2 3.75Å; M187-V258 HydrophobicContact CG-CG2 3.96Å; M187-V258 HydrophobicContact SD-CB 4.48Å; M187-V258 HydrophobicContact SD-CG2 3.85Å; F220-V258 HydrophobicContact CE1-CG1 4.24Å; F220-V258 HydrophobicContact CZ-CB 4.19Å; F220-V258 HydrophobicContact CZ-CG1 3.9Å; E254-V258 WeakPolarHBondContact O-CB 3.37Å; E254-V258 WeakPolarHBondContact O-CG2 3.39Å; E254-V258 PolarHBondContact O-N 3.12Å; V255-V258 PolarHBondContact O-N 2.9Å; V258-R260 PolarHBondContact O-N 3.13Å; V258-W261 WeakPolarHBondContact O-CB 3.41Å; V258-W261 PolarHBondContact O-N 3.18Å; V258-I262 HydrophobicContact CG1-CD1 3.77Å; V258-I262 HydrophobicContact CG1-CG1 4.32Å; V258-I262 VanDerWaalsContact O-CG1 3.29Å; V258-I262 WeakPolarHBondContact O-CG1 3.44Å; V258-I262 PolarHBondContact O-N 3.21Å; V258-M363 HydrophobicContact CG1-SD 3.66Å
259	G	95.5	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-46.5	176.4	0	0	0	0	0	111.9	V255 W261 I262 L263	V255-G259 PolarHBondContact O-N 3.16Å; G259-W261 PolarHBondContact O-N 3.45Å; G259-I262 PolarHBondContact O-N 2.99Å; G259-L263 WeakPolarHBondContact O-CG 3.42Å; G259-L263 PolarHBondContact O-N 3.1Å
260	R	94.3	Very high	95.5	Very high	32 Å²	32	23.6 Å²	23.6	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-45.9	172.1	-179.1	171	-176.9	-147	0.1	111.8	R256 V258 I262 L263 L264 F556 I558 D562	R256-R260 VanDerWaalsContact O-CB 3.29Å; R256-R260 WeakPolarHBondContact O-CB 3.22Å; R256-R260 PolarHBondContact O-N 3.29Å; V258-R260 PolarHBondContact O-N 3.13Å; R260-I262 VanDerWaalsContact C-N 3.32Å; R260-I262 PolarHBondContact O-N 3.25Å; R260-L263 PolarHBondContact O-N 3.4Å; R260-L264 HydrophobicContact CG-CD1 3.57Å; R260-L264 HydrophobicContact CG-CG 4.07Å; R260-L264 WeakPolarHBondContact O-CB 3.33Å; R260-L264 VanDerWaalsContact O-CG 3.25Å; R260-L264 WeakPolarHBondContact O-CG 3.49Å; R260-L264 PolarHBondContact O-N 3.5Å; R260-F556 HydrophobicContact CB-CB 4.29Å; R260-I558 HydrophobicContact CG-CD1 4.34Å; R260-I558 HydrophobicContact CG-CG1 4.13Å; R260-D562 VanDerWaalsContact CZ-O 3.29Å; R260-D562 PolarHBondContact NH1-O 3.01Å; R260-D562 PolarHBondContact NH2-O 3.46Å
261	W	97	Very high	96.3	Very high	5 Å²	5	15 Å²	15	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-39.5	179.5	179.2	42.5	0	0	0	113.1	Y107 I109 V120 K138 V140 H182 L184 A257 V258 G259 L263 L264 I265 F267	Y107-W261 PolarHBondContact OH-NE1 2.99Å; Y107-W261 VanDerWaalsContact OH-NE1 3.08Å; I109-W261 HydrophobicContact CB-CB 4.29Å; I109-W261 HydrophobicContact CB-CG 4.41Å; I109-W261 HydrophobicContact CD1-CB 4.29Å; I109-W261 HydrophobicContact CD1-CD2 4.16Å; I109-W261 HydrophobicContact CD1-CE3 3.8Å; I109-W261 HydrophobicContact CD1-CG 4.4Å; I109-W261 HydrophobicContact CD1-CZ3 4.48Å; I109-W261 HydrophobicContact CG2-CB 4.02Å; I109-W261 HydrophobicContact CG2-CD2 3.93Å; I109-W261 HydrophobicContact CG2-CG 3.64Å; V120-W261 HydrophobicContact CG1-CZ2 4.18Å; V120-W261 HydrophobicContact CG2-CH2 4.44Å; V120-W261 HydrophobicContact CG2-CZ2 4.35Å; K138-W261 HydrophobicContact CB-CH2 3.83Å; K138-W261 HydrophobicContact CB-CZ2 4.17Å; K138-W261 HydrophobicContact CD-CE3 4.25Å; K138-W261 HydrophobicContact CD-CH2 3.59Å; K138-W261 HydrophobicContact CD-CZ2 4.1Å; K138-W261 HydrophobicContact CD-CZ3 3.68Å; K138-W261 HydrophobicContact CG-CH2 4.34Å; V140-W261 HydrophobicContact CG2-CH2 4.37Å; V140-W261 HydrophobicContact CG2-CZ3 3.82Å; H182-W261 HydrophobicContact CB-CH2 4.31Å; H182-W261 HydrophobicContact CB-CZ2 3.68Å; L184-W261 HydrophobicContact CB-CH2 4.1Å; L184-W261 HydrophobicContact CB-CZ3 4.1Å; L184-W261 HydrophobicContact CD2-CE3 4.37Å; L184-W261 HydrophobicContact CD2-CZ3 3.85Å; A257-W261 VanDerWaalsContact O-CB 3.28Å; A257-W261 WeakPolarHBondContact O-CB 3.27Å; A257-W261 PolarHBondContact O-N 3.35Å; V258-W261 WeakPolarHBondContact O-CB 3.41Å; V258-W261 PolarHBondContact O-N 3.18Å; G259-W261 PolarHBondContact O-N 3.45Å; W261-L263 VanDerWaalsContact C-N 3.33Å; W261-L263 PolarHBondContact O-N 2.81Å; W261-L264 PolarHBondContact O-N 3.08Å; W261-I265 PolarHBondContact O-N 3.27Å; W261-F267 AromaticContact CD1-CE2 3.98Å; W261-F267 HydrophobicContact CD2-CE2 4.03Å; W261-F267 HydrophobicContact CD2-CZ 4.27Å; W261-F267 AromaticContact CE2-CE2 3.6Å; W261-F267 AromaticContact CE2-CZ 3.4Å; W261-F267 HydrophobicContact CG-CE2 4.26Å; W261-F267 HydrophobicContact CH2-CZ 4.29Å; W261-F267 HydrophobicContact CZ2-CE1 4.28Å; W261-F267 AromaticContact CZ2-CE2 3.97Å; W261-F267 HydrophobicContact CZ2-CE2 3.97Å; W261-F267 AromaticContact CZ2-CZ 3.4Å; W261-F267 HydrophobicContact CZ2-CZ 3.4Å; W261-F267 VanDerWaalsContact CZ2-CZ 3.4Å; W261-F267 AromaticContact NE1-CE2 3.56Å; W261-F267 AromaticContact NE1-CZ 3.39Å
262	I	96.9	Very high	96.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-61.5	-39.8	175.7	-72.1	163	0	0	0	111.6	F220 V258 G259 R260 I265 F366 N367	F220-I262 HydrophobicContact CE1-CD1 4.5Å; V258-I262 HydrophobicContact CG1-CD1 3.77Å; V258-I262 HydrophobicContact CG1-CG1 4.32Å; V258-I262 VanDerWaalsContact O-CG1 3.29Å; V258-I262 WeakPolarHBondContact O-CG1 3.44Å; V258-I262 PolarHBondContact O-N 3.21Å; G259-I262 PolarHBondContact O-N 2.99Å; R260-I262 VanDerWaalsContact C-N 3.32Å; R260-I262 PolarHBondContact O-N 3.25Å; I262-I265 VanDerWaalsContact O-O 3.12Å; I262-F366 HydrophobicContact CB-CE1 4.41Å; I262-F366 HydrophobicContact CD1-CD1 3.9Å; I262-F366 HydrophobicContact CD1-CE1 3.89Å; I262-F366 HydrophobicContact CG2-CE1 4.25Å; I262-N367 WeakPolarHBondContact CD1-ND2 3.45Å
263	L	93.8	Very high	96.7	Very high	52 Å²	52	12.7 Å²	12.7	27%	0.272	6%	0.062	S	C	.	.	H	α-helix	trans	-79.1	-30.6	-177.7	-62.5	172.7	0	0	0	113	L242 G259 R260 W261 A370 F556	L242-L263 HydrophobicContact CD2-CD1 3.64Å; L242-L263 HydrophobicContact CD2-CD2 4.33Å; G259-L263 WeakPolarHBondContact O-CG 3.42Å; G259-L263 PolarHBondContact O-N 3.1Å; R260-L263 PolarHBondContact O-N 3.4Å; W261-L263 VanDerWaalsContact C-N 3.33Å; W261-L263 PolarHBondContact O-N 2.81Å; L263-A370 HydrophobicContact CD2-CB 4.4Å; L263-F556 HydrophobicContact CD1-CD2 3.57Å; L263-F556 HydrophobicContact CD1-CE2 4.01Å; L263-F556 HydrophobicContact CD1-CG 4.49Å
264	L	92.2	Very high	96.8	Very high	11 Å²	11	11.4 Å²	11.4	6%	0.058	5%	0.053	C	C	.	.	H	α-helix	trans	-78.6	-28.7	-176	-73.7	176.8	0	0	0	114.3	R260 W261 I558 V567 Y570	R260-L264 HydrophobicContact CG-CD1 3.57Å; R260-L264 HydrophobicContact CG-CG 4.07Å; R260-L264 WeakPolarHBondContact O-CB 3.33Å; R260-L264 VanDerWaalsContact O-CG 3.25Å; R260-L264 WeakPolarHBondContact O-CG 3.49Å; R260-L264 PolarHBondContact O-N 3.5Å; W261-L264 PolarHBondContact O-N 3.08Å; L264-I558 HydrophobicContact CD2-CD1 4.01Å; L264-I558 HydrophobicContact CD2-CG2 4.06Å; L264-I558 HydrophobicContact CG-CD1 4.42Å; L264-V567 HydrophobicContact CB-CG1 4.06Å; L264-V567 HydrophobicContact CD1-CG1 4.09Å; L264-V567 HydrophobicContact CD2-CG1 3.66Å; L264-V567 HydrophobicContact CG-CG1 4.14Å; L264-Y570 WeakPolarHBondContact O-CD1 3.18Å; L264-Y570 WeakPolarHBondContact O-CE1 3.17Å
265	I	94.8	Very high	96.6	Very high	11 Å²	11	11.4 Å²	11.4	6%	0.056	5%	0.054	C	C	.	.	S	Bend	trans	-113.6	133.7	-179.1	-60.6	-174.2	0	0	0	108.1	E136 W261 I262 F267	E136-I265 HydrophobicContact CB-CG2 3.77Å; E136-I265 HydrophobicContact CG-CG2 3.55Å; W261-I265 PolarHBondContact O-N 3.27Å; I262-I265 VanDerWaalsContact O-O 3.12Å; I265-F267 HydrophobicContact CB-CD2 3.95Å; I265-F267 HydrophobicContact CB-CE1 4.4Å; I265-F267 HydrophobicContact CB-CE2 3.57Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.33Å; I265-F267 HydrophobicContact CD1-CZ 3.97Å; I265-F267 HydrophobicContact CG1-CE2 4.36Å; I265-F267 HydrophobicContact CG1-CZ 4.42Å; I265-F267 HydrophobicContact CG2-CD1 4.11Å; I265-F267 HydrophobicContact CG2-CD2 4.15Å; I265-F267 HydrophobicContact CG2-CE1 3.79Å; I265-F267 HydrophobicContact CG2-CE2 3.89Å; I265-F267 HydrophobicContact CG2-CG 4.26Å; I265-F267 HydrophobicContact CG2-CZ 3.68Å; I265-F267 WeakPolarHBondContact O-CD2 3.31Å; I265-F267 PolarHBondContact O-N 3.07Å
266	P	96.5	Very high	96.4	Very high	18 Å²	18	11.9 Å²	11.9	12%	0.117	6%	0.058	C	C	.	.			trans	-75.2	62.2	-177.9	31.2	-35.7	0	0	0	111.5	E136 V268 A452 W458 Y570	E136-P266 WeakPolarHBondContact CB-O 3.3Å; E136-P266 HydrophobicContact CG-CG 3.88Å; P266-V268 PolarHBondContact O-N 3.17Å; P266-A452 HydrophobicContact CB-CB 3.93Å; P266-A452 HydrophobicContact CG-CB 4.14Å; P266-W458 HydrophobicContact CB-CZ3 4.41Å; P266-Y570 HydrophobicContact CG-CE1 4.37Å
267	F	98.4	Very high	96.3	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.4	177.1	-72.7	-60.7	0	0	0	110.6	E136 K138 H182 W261 I265 C373	E136-F267 HydrophobicContact CB-CD1 3.84Å; E136-F267 HydrophobicContact CB-CE1 4.26Å; K138-F267 HydrophobicContact CB-CD1 3.88Å; K138-F267 HydrophobicContact CB-CE1 3.58Å; K138-F267 HydrophobicContact CB-CZ 4.05Å; K138-F267 HydrophobicContact CD-CD1 4.05Å; K138-F267 HydrophobicContact CD-CD2 3.82Å; K138-F267 HydrophobicContact CD-CE1 4.03Å; K138-F267 HydrophobicContact CD-CE2 3.74Å; K138-F267 HydrophobicContact CD-CG 3.96Å; K138-F267 HydrophobicContact CD-CZ 3.87Å; K138-F267 HydrophobicContact CG-CD1 3.79Å; K138-F267 HydrophobicContact CG-CD2 4.44Å; K138-F267 HydrophobicContact CG-CE1 3.93Å; K138-F267 HydrophobicContact CG-CG 4.09Å; K138-F267 HydrophobicContact CG-CZ 4.29Å; H182-F267 HydrophobicContact CB-CE1 4.22Å; H182-F267 HydrophobicContact CB-CZ 4.39Å; H182-F267 AromaticContact CD2-CE1 3.61Å; H182-F267 AromaticContact CG-CE1 3.99Å; W261-F267 AromaticContact CD1-CE2 3.98Å; W261-F267 HydrophobicContact CD2-CE2 4.03Å; W261-F267 HydrophobicContact CD2-CZ 4.27Å; W261-F267 AromaticContact CE2-CE2 3.6Å; W261-F267 AromaticContact CE2-CZ 3.4Å; W261-F267 HydrophobicContact CG-CE2 4.26Å; W261-F267 HydrophobicContact CH2-CZ 4.29Å; W261-F267 HydrophobicContact CZ2-CE1 4.28Å; W261-F267 AromaticContact CZ2-CE2 3.97Å; W261-F267 HydrophobicContact CZ2-CE2 3.97Å; W261-F267 AromaticContact CZ2-CZ 3.4Å; W261-F267 HydrophobicContact CZ2-CZ 3.4Å; W261-F267 VanDerWaalsContact CZ2-CZ 3.4Å; W261-F267 AromaticContact NE1-CE2 3.56Å; W261-F267 AromaticContact NE1-CZ 3.39Å; I265-F267 HydrophobicContact CB-CD2 3.95Å; I265-F267 HydrophobicContact CB-CE1 4.4Å; I265-F267 HydrophobicContact CB-CE2 3.57Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.33Å; I265-F267 HydrophobicContact CD1-CZ 3.97Å; I265-F267 HydrophobicContact CG1-CE2 4.36Å; I265-F267 HydrophobicContact CG1-CZ 4.42Å; I265-F267 HydrophobicContact CG2-CD1 4.11Å; I265-F267 HydrophobicContact CG2-CD2 4.15Å; I265-F267 HydrophobicContact CG2-CE1 3.79Å; I265-F267 HydrophobicContact CG2-CE2 3.89Å; I265-F267 HydrophobicContact CG2-CG 4.26Å; I265-F267 HydrophobicContact CG2-CZ 3.68Å; I265-F267 WeakPolarHBondContact O-CD2 3.31Å; I265-F267 PolarHBondContact O-N 3.07Å; F267-C373 HydrophobicContact CB-CB 3.8Å; F267-C373 VanDerWaalsContact O-CA 3.23Å; F267-C373 WeakPolarHBondContact O-CA 3.32Å; F267-C373 WeakPolarHBondContact O-CB 3.27Å; F267-C373 PolarHBondContact O-N 2.64Å
268	V	98.3	Very high	96.1	Very high	5 Å²	5	8 Å²	8	3%	0.03	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-46	-178.4	179.1	0	0	0	0	110.4	P135 E136 P266 F374 V409 W458 L460	P135-V268 HydrophobicContact CB-CB 4.43Å; P135-V268 HydrophobicContact CB-CG2 3.99Å; E136-V268 PolarHBondContact O-N 2.99Å; P266-V268 PolarHBondContact O-N 3.17Å; V268-F374 PolarHBondContact O-N 3.48Å; V268-V409 HydrophobicContact CB-CG2 3.72Å; V268-V409 HydrophobicContact CG1-CG2 3.88Å; V268-W458 HydrophobicContact CB-CB 4.35Å; V268-W458 HydrophobicContact CG1-CB 3.68Å; V268-W458 HydrophobicContact CG1-CG 4.35Å; V268-W458 HydrophobicContact CG2-CB 3.67Å; V268-W458 HydrophobicContact CG2-CD2 3.65Å; V268-W458 HydrophobicContact CG2-CE3 3.63Å; V268-W458 HydrophobicContact CG2-CG 3.67Å; V268-L460 HydrophobicContact CG1-CD1 4.33Å; V268-L460 HydrophobicContact CG1-CD2 3.78Å; V268-L460 HydrophobicContact CG1-CG 4.02Å
269	L	97.9	Very high	95.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.2	-178.1	-178.2	70	0	0	0	110	F137 K138 L307 F374 F405 Q408 V409 L460	F137-L269 WeakPolarHBondContact CA-O 3.25Å; F137-L269 HydrophobicContact CD2-CB 3.99Å; F137-L269 HydrophobicContact CD2-CD2 4.07Å; F137-L269 HydrophobicContact CD2-CG 4.1Å; F137-L269 WeakPolarHBondContact CD2-O 3.29Å; F137-L269 HydrophobicContact CE2-CB 4.33Å; F137-L269 HydrophobicContact CE2-CD2 3.87Å; F137-L269 HydrophobicContact CE2-CG 3.93Å; K138-L269 PolarHBondContact N-O 2.73Å; K138-L269 VanDerWaalsContact N-O 3.17Å; L269-L307 HydrophobicContact CD1-CD1 3.71Å; L269-L307 HydrophobicContact CD1-CD2 4.09Å; L269-L307 HydrophobicContact CD2-CD2 4.36Å; L269-F374 CarbonylContact C-O 3.58Å; L269-F374 WeakPolarHBondContact CA-O 3.07Å; L269-F374 HydrophobicContact CD1-CB 4.22Å; L269-F374 WeakPolarHBondContact CD1-O 3.1Å; L269-F405 HydrophobicContact CD1-CE1 4.32Å; L269-F405 HydrophobicContact CD1-CE2 4.4Å; L269-F405 HydrophobicContact CD1-CZ 3.78Å; L269-F405 HydrophobicContact CD2-CD1 4.39Å; L269-F405 HydrophobicContact CD2-CE1 4.01Å; L269-F405 HydrophobicContact CD2-CZ 4.07Å; L269-F405 WeakPolarHBondContact CD2-O 3.47Å; L269-F405 HydrophobicContact CG-CE1 3.95Å; L269-F405 HydrophobicContact CG-CZ 3.93Å; L269-Q408 HydrophobicContact CD2-CB 3.6Å; L269-V409 HydrophobicContact CB-CB 4.07Å; L269-V409 HydrophobicContact CB-CG2 3.82Å; L269-V409 HydrophobicContact CD2-CB 4.22Å; L269-L460 HydrophobicContact CB-CD1 4.34Å; L269-L460 HydrophobicContact CD1-CD1 4.07Å
270	S	98.5	Very high	95.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.3	179.2	-177.2	0	0	0	0	112.6	K138 C373 F374 E375 V376 F405	K138-S270 WeakPolarHBondContact CG-OG 3.4Å; K138-S270 PolarHBondContact NZ-OG 2.04Å; K138-S270 VanDerWaalsContact O-CA 3.24Å; K138-S270 WeakPolarHBondContact O-CA 3.38Å; K138-S270 PolarHBondContact O-OG 3.26Å; S270-C373 WeakPolarHBondContact CB-SG 3.17Å; S270-F374 PolarHBondContact N-O 3.28Å; S270-E375 VanDerWaalsContact CB-OE2 3.27Å; S270-E375 WeakPolarHBondContact CB-OE2 3.49Å; S270-E375 WeakPolarHBondContact O-CA 3.13Å; S270-E375 PolarHBondContact OG-OE2 3.36Å; S270-V376 PolarHBondContact O-N 2.8Å; S270-F405 WeakPolarHBondContact O-CZ 3.46Å
271	A	98.1	Very high	95.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.6	159.2	0	0	0	0	0	110.9	K138 Y139 V140 V376 L378 F405	K138-A271 PolarHBondContact O-N 3.34Å; Y139-A271 WeakPolarHBondContact CA-O 3.24Å; Y139-A271 HydrophobicContact CD1-CB 3.68Å; Y139-A271 WeakPolarHBondContact CD1-O 3.36Å; Y139-A271 HydrophobicContact CE1-CB 3.42Å; Y139-A271 VanDerWaalsContact CE1-CB 3.42Å; V140-A271 PolarHBondContact N-O 2.98Å; A271-V376 CarbonylContact C-O 3.54Å; A271-V376 WeakPolarHBondContact CA-O 2.81Å; A271-V376 HydrophobicContact CB-CG2 3.74Å; A271-L378 HydrophobicContact CB-CD1 3.59Å; A271-L378 HydrophobicContact CB-CG 4Å; A271-F405 HydrophobicContact CB-CD1 4.22Å; A271-F405 HydrophobicContact CB-CE1 3.5Å; A271-F405 HydrophobicContact CB-CZ 3.9Å
272	N	98.2	Very high	95.6	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.2	168.7	69.9	70.3	0	0	0	109.3	V140 H274 M363 E375 V376 T377 L378	V140-N272 HydrophobicContact CB-CB 4.36Å; V140-N272 CarbonylContact O-C 3.6Å; V140-N272 VanDerWaalsContact O-CA 3.25Å; V140-N272 WeakPolarHBondContact O-CA 3.3Å; N272-H274 PolarHBondContact OD1-CD2 2.53Å; N272-H274 PolarHBondContact OD1-NE2 3.1Å; N272-M363 HydrophobicContact CB-CE 3.34Å; N272-E375 PolarHBondContact ND2-OE1 3Å; N272-V376 PolarHBondContact N-O 2.87Å; N272-V376 PolarHBondContact ND2-O 2.87Å; N272-T377 PolarHBondContact ND2-OG1 2.87Å; N272-T377 CarbonylContact O-C 3.48Å; N272-T377 WeakPolarHBondContact O-CA 3.3Å; N272-T377 WeakPolarHBondContact OD1-CA 3.32Å; N272-T377 WeakPolarHBondContact OD1-CB 3.36Å; N272-T377 VanDerWaalsContact OD1-CG2 3.31Å; N272-T377 WeakPolarHBondContact OD1-CG2 2.99Å; N272-T377 PolarHBondContact OD1-OG1 2.88Å; N272-L378 PolarHBondContact O-N 2.95Å
273	L	98.5	Very high	95.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.6	-169.9	-63.1	154.2	0	0	0	109.9	Y139 V140 A141 L154 L378 L380 L402	Y139-L273 HydrophobicContact CD1-CD1 4.15Å; Y139-L273 HydrophobicContact CD1-CG 4.41Å; V140-L273 PolarHBondContact O-N 3.16Å; A141-L273 HydrophobicContact CB-CB 3.93Å; A141-L273 HydrophobicContact CB-CD1 3.96Å; L154-L273 HydrophobicContact CD1-CD1 3.86Å; L154-L273 HydrophobicContact CD2-CD1 3.6Å; L154-L273 HydrophobicContact CG-CD1 3.62Å; L273-L378 HydrophobicContact CD2-CB 3.98Å; L273-L378 HydrophobicContact CD2-CD1 3.82Å; L273-L380 HydrophobicContact CB-CD1 4.07Å; L273-L380 HydrophobicContact CD2-CD1 3.79Å; L273-L380 HydrophobicContact CD2-CD2 3.92Å; L273-L380 HydrophobicContact CD2-CG 4.25Å; L273-L380 HydrophobicContact CG-CD1 4.46Å; L273-L402 HydrophobicContact CD2-CD2 4.17Å
274	H	97.9	Very high	95.8	Very high	3 Å²	3	4.4 Å²	4.4	1%	0.014	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	169.4	-172.6	-82	-93.8	0	0	0	112.3	M143 H144 E147 N272 T377 L378 E379 L380	M143-H274 WeakPolarHBondContact CG-CE1 3.33Å; M143-H274 VanDerWaalsContact CG-NE2 3.35Å; M143-H274 WeakPolarHBondContact CG-NE2 3.49Å; M143-H274 PolarHBondContact SD-CE1 2.89Å; M143-H274 PolarHBondContact SD-NE2 3.38Å; H144-H274 AromaticContact CE1-CE1 3.32Å; H144-H274 PolarHBondContact CE1-CE1 3.01Å; H144-H274 AromaticContact CE1-ND1 3.55Å; H144-H274 AromaticContact ND1-CE1 3.34Å; H144-H274 PolarHBondContact ND1-CE1 2.82Å; H144-H274 VanDerWaalsContact ND1-CE1 3.34Å; H144-H274 AromaticContact ND1-ND1 3.27Å; H144-H274 PolarHBondContact ND1-ND1 3.09Å; E147-H274 IonicContact OE2-CE1 2.57Å; E147-H274 IonicContact OE2-CG 2.79Å; E147-H274 IonicContact OE2-ND1 3.61Å; E147-H274 PolarHBondContact OE2-ND1 3.26Å; N272-H274 PolarHBondContact OD1-CD2 2.53Å; N272-H274 PolarHBondContact OD1-NE2 3.1Å; H274-T377 HydrophobicContact CB-CG2 4.31Å; H274-L378 PolarHBondContact N-O 2.95Å; H274-E379 VanDerWaalsContact CB-CD 3.5Å; H274-E379 HydrophobicContact CB-CG 4.47Å; H274-E379 WeakPolarHBondContact CB-OE1 3.36Å; H274-E379 IonicContact CG-OE1 3.91Å; H274-E379 CarbonylContact O-C 3.39Å; H274-E379 WeakPolarHBondContact O-CA 3.48Å; H274-L380 WeakPolarHBondContact O-CG 3.31Å; H274-L380 PolarHBondContact O-N 2.82Å
275	E	95.6	Very high	96	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.023	C	C	.	.			trans	-142.9	159.5	169.5	-63.8	85	-147.8	0	0	113.1	E147 A148 I149 G150 E379 L380 K384	E147-E275 WeakPolarHBondContact CA-OE2 3.21Å; E147-E275 HydrophobicContact CB-CB 4.29Å; E147-E275 WeakPolarHBondContact CB-OE2 3.4Å; E147-E275 HydrophobicContact CG-CB 4.15Å; E147-E275 WeakPolarHBondContact CG-O 3.15Å; E147-E275 PolarHBondContact OE2-N 3.45Å; A148-E275 PolarHBondContact N-OE2 2.9Å; I149-E275 HydrophobicContact CB-CG 3.84Å; I149-E275 VanDerWaalsContact CB-OE1 3.29Å; I149-E275 WeakPolarHBondContact CB-OE1 3.27Å; I149-E275 HydrophobicContact CD1-CG 3.74Å; I149-E275 HydrophobicContact CG1-CG 3.82Å; I149-E275 PolarHBondContact N-OE1 3.05Å; I149-E275 PolarHBondContact N-OE2 3.18Å; G150-E275 PolarHBondContact N-OE1 3.29Å; E275-E379 WeakPolarHBondContact CA-OE2 3.46Å; E275-E379 PolarHBondContact N-OE2 3.42Å; E275-L380 HydrophobicContact CG-CB 4.23Å; E275-K384 HydrophobicContact CB-CB 4.33Å; E275-K384 HydrophobicContact CB-CG 4.33Å; E275-K384 WeakPolarHBondContact O-CE 3.48Å
276	G	92.4	Very high	96.1	Very high	9 Å²	9	4.1 Å²	4.1	9%	0.093	2%	0.024	C	C	.	.	S	Bend	trans	136	-27.5	-173.5	0	0	0	0	0	111.3	E379 G381	G276-E379 PolarHBondContact N-OE2 2.87Å; G276-G381 PolarHBondContact N-O 2.65Å
277	D	92.7	Very high	96.1	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	S	Bend	trans	-139.1	-168.2	165.6	-146.8	-53.1	0	0	0	110.9	V279 R334 C337 T340 F344 W356 E379 G381	D277-V279 HydrophobicContact CB-CG1 4.35Å; D277-R334 IonicContact OD1-NH2 3.75Å; D277-R334 PolarHBondContact OD1-NH2 3.24Å; D277-C337 PolarHBondContact OD1-SG 2.85Å; D277-C337 VanDerWaalsContact OD1-SG 3.34Å; D277-T340 WeakPolarHBondContact OD2-CB 3.37Å; D277-T340 WeakPolarHBondContact OD2-CG2 3.25Å; D277-T340 PolarHBondContact OD2-OG1 3.35Å; D277-F344 HydrophobicContact CB-CE2 4.46Å; D277-F344 WeakPolarHBondContact OD2-CE2 3.47Å; D277-W356 HydrophobicContact CB-CH2 4.07Å; D277-W356 HydrophobicContact CB-CZ2 4.06Å; D277-E379 HydrophobicContact CB-CB 4.4Å; D277-E379 CarbonylContact O-C 3.07Å; D277-E379 WeakPolarHBondContact O-CB 3.19Å; D277-G381 CarbonylContact O-C 3.47Å; D277-G381 VanDerWaalsContact O-CA 3.28Å; D277-G381 WeakPolarHBondContact O-CA 3.47Å; D277-G381 PolarHBondContact O-N 3.33Å
278	L	92.6	Very high	95.9	Very high	15 Å²	15	7.3 Å²	7.3	8%	0.079	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	89.5	173.5	-178	62.4	0	0	0	108.7	M329 R334 E379	L278-M329 HydrophobicContact CD1-CB 4.36Å; L278-M329 HydrophobicContact CD1-CE 3.77Å; L278-M329 HydrophobicContact CD1-CG 4.42Å; L278-M329 HydrophobicContact CG-CB 4.31Å; L278-M329 HydrophobicContact CG-CG 4.27Å; L278-R334 HydrophobicContact CD2-CG 4.42Å; L278-R334 PolarHBondContact O-NH1 3.29Å; L278-R334 PolarHBondContact O-NH2 3.35Å; L278-E379 WeakPolarHBondContact CA-O 3.47Å
279	V	92	Very high	95.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	150.4	-174.7	61.3	0	0	0	0	110.1	D277 F344 T351 W356 E379	D277-V279 HydrophobicContact CB-CG1 4.35Å; V279-F344 HydrophobicContact CB-CB 4.03Å; V279-F344 HydrophobicContact CB-CD1 4.44Å; V279-F344 HydrophobicContact CB-CD2 3.58Å; V279-F344 HydrophobicContact CB-CE2 4.11Å; V279-F344 HydrophobicContact CB-CG 3.76Å; V279-F344 HydrophobicContact CG1-CD2 3.9Å; V279-F344 HydrophobicContact CG1-CE2 3.9Å; V279-F344 HydrophobicContact CG1-CG 4.4Å; V279-F344 HydrophobicContact CG1-CZ 4.41Å; V279-F344 HydrophobicContact CG2-CB 3.71Å; V279-F344 HydrophobicContact CG2-CD1 3.8Å; V279-F344 HydrophobicContact CG2-CD2 3.88Å; V279-F344 HydrophobicContact CG2-CE1 4.38Å; V279-F344 HydrophobicContact CG2-CE2 4.43Å; V279-F344 HydrophobicContact CG2-CG 3.51Å; V279-T351 HydrophobicContact CG1-CG2 4.36Å; V279-T351 HydrophobicContact CG2-CG2 3.71Å; V279-W356 HydrophobicContact CG1-CH2 4.36Å; V279-W356 HydrophobicContact CG1-CZ3 4.15Å; V279-E379 HydrophobicContact CG1-CB 3.87Å; V279-E379 HydrophobicContact CG1-CG 3.85Å; V279-E379 PolarHBondContact N-O 3.05Å; V279-E379 VanDerWaalsContact N-O 3.12Å; V279-E379 WeakPolarHBondContact O-CA 3.4Å; V279-E379 VanDerWaalsContact O-CB 3.29Å; V279-E379 WeakPolarHBondContact O-CB 3.48Å; V279-E379 PolarHBondContact O-N 3.45Å
280	A	94	Very high	95.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.1	166	0	0	0	0	0	110.1	L308 M329 G349 I350 T351 L378	A280-L308 HydrophobicContact CB-CB 4.05Å; A280-L308 HydrophobicContact CB-CD1 3.7Å; A280-L308 HydrophobicContact CB-CD2 3.59Å; A280-L308 HydrophobicContact CB-CG 3.98Å; A280-M329 HydrophobicContact CB-SD 4.05Å; A280-G349 PolarHBondContact N-O 3.45Å; A280-I350 HydrophobicContact CB-CG2 4.28Å; A280-I350 CarbonylContact O-C 3.02Å; A280-I350 WeakPolarHBondContact O-CA 3.31Å; A280-T351 PolarHBondContact O-N 2.78Å; A280-L378 HydrophobicContact CB-CD2 3.63Å
281	N	93.8	Very high	94.8	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.8	-179.4	-179.9	86.1	0	0	0	110.8	D285 T351 G353 Q364 V376 T377	N281-D285 PolarHBondContact ND2-OD1 3.04Å; N281-T351 CarbonylContact C-O 3.6Å; N281-T351 WeakPolarHBondContact CA-O 3.46Å; N281-T351 HydrophobicContact CB-CG2 4.25Å; N281-G353 WeakPolarHBondContact OD1-CA 3.14Å; N281-G353 PolarHBondContact OD1-N 2.96Å; N281-Q364 PolarHBondContact ND2-NE2 3.24Å; N281-Q364 PolarHBondContact ND2-OE1 3.17Å; N281-Q364 PolarHBondContact O-OE1 2.83Å; N281-Q364 VanDerWaalsContact O-OE1 3.08Å; N281-V376 WeakPolarHBondContact O-CB 3.28Å; N281-T377 WeakPolarHBondContact CA-O 3.43Å; N281-T377 HydrophobicContact CB-CG2 4.31Å; N281-T377 WeakPolarHBondContact CB-O 3.38Å; N281-T377 PolarHBondContact N-O 2.89Å; N281-T377 PolarHBondContact O-N 2.95Å
282	Y	95.5	Very high	94.5	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.7	178.4	64.3	-88.6	0	0	0	113.3	Y295 F304 K305 L308 I350 T351 N352 G353	Y282-Y295 WeakPolarHBondContact OH-CE2 3.41Å; Y282-Y295 PolarHBondContact OH-OH 3.25Å; Y282-F304 HydrophobicContact CD2-CB 3.88Å; Y282-F304 HydrophobicContact CG-CB 4.07Å; Y282-K305 HydrophobicContact CE1-CG 4.38Å; Y282-K305 HydrophobicContact CE2-CG 4.46Å; Y282-K305 WeakPolarHBondContact OH-CE 3.2Å; Y282-L308 HydrophobicContact CD1-CD1 3.79Å; Y282-L308 HydrophobicContact CG-CD1 4.18Å; Y282-I350 HydrophobicContact CE1-CB 4.5Å; Y282-I350 HydrophobicContact CE1-CD1 4.08Å; Y282-I350 HydrophobicContact CE1-CG1 4.42Å; Y282-T351 WeakPolarHBondContact CD1-O 3.13Å; Y282-T351 WeakPolarHBondContact CE1-O 3.43Å; Y282-T351 PolarHBondContact N-O 3.37Å; Y282-N352 HydrophobicContact CE1-CB 4.37Å; Y282-N352 HydrophobicContact CE2-CB 3.85Å; Y282-N352 WeakPolarHBondContact O-CA 3.38Å; Y282-N352 PolarHBondContact O-ND2 2.61Å; Y282-G353 PolarHBondContact O-N 3.06Å
283	P	96.3	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-56.7	157.1	-177.7	-32.6	38.8	0	0	0	115.8	T298 F304 N352 Q364 D365	P283-T298 HydrophobicContact CB-CG2 3.51Å; P283-F304 HydrophobicContact CB-CE2 4.37Å; P283-F304 HydrophobicContact CB-CZ 4.36Å; P283-F304 HydrophobicContact CG-CD1 4.46Å; P283-F304 HydrophobicContact CG-CE1 3.89Å; P283-F304 HydrophobicContact CG-CE2 4.23Å; P283-F304 HydrophobicContact CG-CZ 3.75Å; P283-N352 VanDerWaalsContact C-ND2 3.26Å; P283-N352 PolarHBondContact O-ND2 3.43Å; P283-Q364 HydrophobicContact CG-CG 3.8Å; P283-Q364 VanDerWaalsContact N-NE2 3.16Å; P283-D365 VanDerWaalsContact CB-OD1 3.3Å; P283-D365 WeakPolarHBondContact CB-OD1 3.39Å; P283-D365 WeakPolarHBondContact CG-OD1 3.44Å
284	F	97	Very high	94	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	18%	0.181	C	C	.	.			cis	-83	148.9	-10.4	-66.9	-67.3	0	0	0	111.5	D224 L227 Y228 S296 T298 N352 A354 D365 Y368 L369	D224-F284 WeakPolarHBondContact OD1-CD1 3.41Å; L227-F284 HydrophobicContact CD2-CE1 4.25Å; L227-F284 HydrophobicContact CD2-CE2 3.86Å; L227-F284 HydrophobicContact CD2-CZ 3.49Å; L227-F284 VanDerWaalsContact CD2-CZ 3.49Å; Y228-F284 HydrophobicContact CE1-CD2 4.37Å; Y228-F284 WeakPolarHBondContact OH-CB 3.49Å; Y228-F284 WeakPolarHBondContact OH-CG 3.43Å; F284-S296 PolarHBondContact N-O 3.03Å; F284-T298 HydrophobicContact CD1-CG2 4.2Å; F284-T298 HydrophobicContact CD2-CG2 3.75Å; F284-T298 HydrophobicContact CE1-CG2 4.03Å; F284-T298 HydrophobicContact CE2-CG2 3.59Å; F284-T298 HydrophobicContact CG-CG2 4.07Å; F284-T298 HydrophobicContact CZ-CG2 3.73Å; F284-N352 PolarHBondContact N-ND2 3.4Å; F284-N352 VanDerWaalsContact N-ND2 3.18Å; F284-N352 PolarHBondContact O-ND2 3.25Å; F284-A354 WeakPolarHBondContact O-CB 3.28Å; F284-A354 PolarHBondContact O-N 3.1Å; F284-D365 HydrophobicContact CD1-CB 4.2Å; F284-Y368 AromaticContact CE1-CD1 3.84Å; F284-Y368 HydrophobicContact CE1-CD1 3.84Å; F284-Y368 HydrophobicContact CE1-CE1 4.21Å; F284-Y368 HydrophobicContact CZ-CD1 4.04Å; F284-Y368 AromaticContact CZ-CE1 3.92Å; F284-Y368 HydrophobicContact CZ-CE1 3.92Å; F284-L369 HydrophobicContact CE1-CD1 3.87Å; F284-L369 HydrophobicContact CE1-CD2 3.84Å; F284-L369 HydrophobicContact CE1-CG 3.95Å; F284-L369 HydrophobicContact CZ-CD2 3.99Å
285	D	96.7	Very high	93.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.198	C	C	.	.			trans	-80	-22.5	169.6	-69	-24.9	0	0	0	111.9	N281 G353 A354 S358 F359 Q364 D365	N281-D285 PolarHBondContact ND2-OD1 3.04Å; D285-G353 WeakPolarHBondContact OD1-CA 3.24Å; D285-A354 WeakPolarHBondContact O-CA 3.42Å; D285-S358 CarbonylContact O-C 3.38Å; D285-S358 VanDerWaalsContact O-CA 3.31Å; D285-S358 WeakPolarHBondContact O-CA 3.44Å; D285-F359 CarbonylContact C-O 3.29Å; D285-F359 HydrophobicContact CB-CD1 4.09Å; D285-F359 HydrophobicContact CB-CD2 4.44Å; D285-F359 HydrophobicContact CB-CE1 3.61Å; D285-F359 HydrophobicContact CB-CE2 3.98Å; D285-F359 HydrophobicContact CB-CZ 3.56Å; D285-F359 VanDerWaalsContact CG-CZ 3.43Å; D285-F359 PolarHBondContact O-N 2.93Å; D285-F359 VanDerWaalsContact OD2-CZ 3.23Å; D285-F359 WeakPolarHBondContact OD2-CZ 3.4Å; D285-Q364 PolarHBondContact OD1-NE2 2.99Å; D285-Q364 PolarHBondContact OD2-NE2 2.81Å; D285-Q364 VanDerWaalsContact OD2-NE2 3.13Å; D285-D365 WeakPolarHBondContact CA-OD2 3.36Å; D285-D365 WeakPolarHBondContact CB-OD2 3.29Å; D285-D365 PolarHBondContact N-OD1 2.94Å; D285-D365 PolarHBondContact N-OD2 3Å
286	L	97	Very high	93.7	Very high	16 Å²	16	37.5 Å²	37.5	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-97.5	130.8	174.2	-171.8	65.8	0	0	0	112.7	D224 Y228 S296 F359 R360	D224-L286 HydrophobicContact CB-CB 3.79Å; D224-L286 HydrophobicContact CB-CD2 3.53Å; D224-L286 HydrophobicContact CB-CG 4.26Å; Y228-L286 HydrophobicContact CD2-CD2 4.31Å; Y228-L286 HydrophobicContact CE2-CB 4.22Å; Y228-L286 HydrophobicContact CE2-CD2 3.9Å; Y228-L286 HydrophobicContact CE2-CG 4Å; Y228-L286 PolarHBondContact OH-O 3.45Å; L286-S296 VanDerWaalsContact O-CB 3.26Å; L286-S296 WeakPolarHBondContact O-CB 3.3Å; L286-S296 PolarHBondContact O-OG 3.11Å; L286-F359 WeakPolarHBondContact CA-O 3.36Å; L286-F359 WeakPolarHBondContact CB-O 3.45Å; L286-F359 PolarHBondContact N-O 2.85Å; L286-R360 HydrophobicContact CD1-CB 4.11Å; L286-R360 HydrophobicContact CD2-CB 4.43Å
287	S	96.4	Very high	93.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.021	20%	0.203	C	C	.	.			trans	-71.5	140.6	172.7	61.5	0	0	0	0	112.1	D289 G290 S291 S358	S287-D289 VanDerWaalsContact C-N 3.35Å; S287-D289 PolarHBondContact O-N 3.32Å; S287-G290 WeakPolarHBondContact OG-CA 3.41Å; S287-G290 PolarHBondContact OG-N 3.4Å; S287-S291 WeakPolarHBondContact CB-O 3.18Å; S287-S291 PolarHBondContact OG-N 2.88Å; S287-S291 PolarHBondContact OG-O 3.06Å; S287-S358 WeakPolarHBondContact CB-OG 3.27Å; S287-S358 PolarHBondContact N-OG 2.81Å; S287-S358 PolarHBondContact OG-OG 3.47Å
288	R	94.1	Very high	93.8	Very high	83 Å²	83	38.5 Å²	38.5	31%	0.313	21%	0.207	S	C	.	.	S	Bend	trans	-69.5	-31.3	-179.6	-84	-179.2	176.3	81.6	-10.4	113.9	Y228 E231 S296 G297	Y228-R288 HydrophobicContact CD1-CG 3.64Å; Y228-R288 HydrophobicContact CD2-CG 4.08Å; Y228-R288 HydrophobicContact CE1-CG 3.44Å; Y228-R288 VanDerWaalsContact CE1-CG 3.44Å; Y228-R288 HydrophobicContact CE2-CB 4.49Å; Y228-R288 HydrophobicContact CE2-CG 3.88Å; Y228-R288 HydrophobicContact CG-CG 3.97Å; E231-R288 IonicContact OE1-NE 3.77Å; E231-R288 IonicContact OE1-NH2 3.45Å; E231-R288 PolarHBondContact OE1-NH2 2.83Å; E231-R288 IonicContact OE2-CZ 3.58Å; E231-R288 IonicContact OE2-NE 3.16Å; E231-R288 PolarHBondContact OE2-NE 3.25Å; E231-R288 IonicContact OE2-NH2 2.78Å; R288-S296 PolarHBondContact NH1-OG 3.16Å; R288-G297 VanDerWaalsContact CZ-O 3.31Å; R288-G297 PolarHBondContact NH1-O 3.41Å; R288-G297 PolarHBondContact NH2-O 3.06Å
289	D	90.4	Very high	93.9	Very high	94 Å²	94	40.2 Å²	40.2	50%	0.503	22%	0.22	S	C	.	.	S	Bend	trans	-93.7	-6.4	-177.4	72.4	-24.1	0	0	0	113	S287 S291	S287-D289 VanDerWaalsContact C-N 3.35Å; S287-D289 PolarHBondContact O-N 3.32Å; D289-S291 VanDerWaalsContact C-N 3.32Å; D289-S291 VanDerWaalsContact OD1-CB 3.31Å; D289-S291 WeakPolarHBondContact OD1-CB 3.34Å; D289-S291 PolarHBondContact OD1-N 3.4Å; D289-S291 PolarHBondContact OD1-OG 2.95Å; D289-S291 WeakPolarHBondContact OD2-CB 3.4Å; D289-S291 PolarHBondContact OD2-OG 3.29Å
290	G	89.4	Confident	94	Very high	60 Å²	60	40.4 Å²	40.4	62%	0.619	22%	0.221	S	C	*	.			trans	79.5	9.6	-177.7	0	0	0	0	0	114.4	S287	S287-G290 WeakPolarHBondContact OG-CA 3.41Å; S287-G290 PolarHBondContact OG-N 3.4Å
291	S	92.8	Very high	93.9	Very high	32 Å²	32	41.3 Å²	41.3	22%	0.224	23%	0.226	C	C	.	.			trans	-69.9	156.7	172.9	64.4	0	0	0	0	112	S287 D289 Q293 E294 S358	S287-S291 WeakPolarHBondContact CB-O 3.18Å; S287-S291 PolarHBondContact OG-N 2.88Å; S287-S291 PolarHBondContact OG-O 3.06Å; D289-S291 VanDerWaalsContact C-N 3.32Å; D289-S291 VanDerWaalsContact OD1-CB 3.31Å; D289-S291 WeakPolarHBondContact OD1-CB 3.34Å; D289-S291 PolarHBondContact OD1-N 3.4Å; D289-S291 PolarHBondContact OD1-OG 2.95Å; D289-S291 WeakPolarHBondContact OD2-CB 3.4Å; D289-S291 PolarHBondContact OD2-OG 3.29Å; S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact O-N 2.89Å; S291-E294 WeakPolarHBondContact OG-CB 3.49Å; S291-S358 WeakPolarHBondContact O-CB 3.34Å; S291-S358 PolarHBondContact O-OG 2.84Å
292	D	91.1	Very high	93.7	Very high	137 Å²	137	47.6 Å²	47.6	73%	0.733	25%	0.249	S	C	*	.	S	Bend	trans	-71.3	-24.9	-179.8	-66.2	-27.5	0	0	0	113	Y357 S358	D292-Y357 CarbonylContact O-C 3.55Å; D292-Y357 WeakPolarHBondContact O-CA 3.47Å; D292-S358 PolarHBondContact O-N 3.26Å
293	Q	92	Very high	93.5	Very high	120 Å²	120	47.4 Å²	47.4	56%	0.561	25%	0.249	S	C	*	.	S	Bend	trans	-147	93.1	-178	-69.2	-169.9	-16.9	0	0	110.6	S291 A354 W356	S291-Q293 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact O-N 2.89Å; Q293-A354 WeakPolarHBondContact CA-O 3.3Å; Q293-W356 WeakPolarHBondContact CG-O 3.15Å; Q293-W356 PolarHBondContact NE2-O 3.27Å
294	E	93.4	Very high	93.3	Very high	101 Å²	101	47.4 Å²	47.4	47%	0.472	25%	0.249	S	C	.	.			trans	-147.3	138.2	174.1	-179.1	132.3	160.3	0	0	111.1	S291 S296 A354 S355	S291-E294 WeakPolarHBondContact OG-CB 3.49Å; E294-S296 PolarHBondContact O-N 2.99Å; E294-A354 PolarHBondContact N-O 2.85Å; E294-A354 CarbonylContact O-C 3.43Å; E294-A354 WeakPolarHBondContact O-CB 3.13Å; E294-S355 PolarHBondContact O-N 2.85Å
295	Y	93.7	Very high	93	Very high	98 Å²	98	48.9 Å²	48.9	38%	0.384	26%	0.256	S	S	.	.			trans	-59.4	120.8	177.4	-168.2	-86.3	0	0	0	111.9	Y282 D301 K305 N352	Y282-Y295 WeakPolarHBondContact OH-CE2 3.41Å; Y282-Y295 PolarHBondContact OH-OH 3.25Å; Y295-D301 PolarHBondContact OH-OD1 3.36Å; Y295-D301 PolarHBondContact OH-OD2 3.47Å; Y295-D301 VanDerWaalsContact OH-OD2 3.1Å; Y295-K305 WeakPolarHBondContact OH-CE 3.39Å; Y295-K305 PolarHBondContact OH-NZ 3.38Å; Y295-N352 WeakPolarHBondContact CA-OD1 3.24Å; Y295-N352 HydrophobicContact CD2-CB 3.73Å; Y295-N352 HydrophobicContact CE2-CB 3.53Å
296	S	95.1	Very high	92.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	26%	0.26	C	S	.	.			trans	-123.5	84.3	-180	-161.8	0	0	0	0	110.7	Y228 F284 L286 R288 E294 N352	Y228-S296 PolarHBondContact OH-OG 2.84Å; F284-S296 PolarHBondContact N-O 3.03Å; L286-S296 VanDerWaalsContact O-CB 3.26Å; L286-S296 WeakPolarHBondContact O-CB 3.3Å; L286-S296 PolarHBondContact O-OG 3.11Å; R288-S296 PolarHBondContact NH1-OG 3.16Å; E294-S296 PolarHBondContact O-N 2.99Å; S296-N352 PolarHBondContact N-OD1 3.08Å; S296-N352 PolarHBondContact O-ND2 2.81Å; S296-N352 VanDerWaalsContact O-ND2 3.1Å
297	G	93.3	Very high	91.3	Very high	18 Å²	18	49 Å²	49	19%	0.186	26%	0.256	C	S	.	.			trans	-72.2	150.8	-176.8	0	0	0	0	0	113.9	R288	R288-G297 VanDerWaalsContact CZ-O 3.31Å; R288-G297 PolarHBondContact NH1-O 3.41Å; R288-G297 PolarHBondContact NH2-O 3.06Å
298	T	94.3	Very high	90.3	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.08	26%	0.255	C	S	.	.			trans	-90.1	169.8	169	74.1	0	0	0	0	111.6	P283 F284 D300 D301 F304 Y368	P283-T298 HydrophobicContact CB-CG2 3.51Å; F284-T298 HydrophobicContact CD1-CG2 4.2Å; F284-T298 HydrophobicContact CD2-CG2 3.75Å; F284-T298 HydrophobicContact CE1-CG2 4.03Å; F284-T298 HydrophobicContact CE2-CG2 3.59Å; F284-T298 HydrophobicContact CG-CG2 4.07Å; F284-T298 HydrophobicContact CZ-CG2 3.73Å; T298-D300 PolarHBondContact O-N 3Å; T298-D300 VanDerWaalsContact OG1-C 3.25Å; T298-D300 PolarHBondContact OG1-N 3.15Å; T298-D300 VanDerWaalsContact OG1-N 3.09Å; T298-D301 WeakPolarHBondContact O-CB 3.38Å; T298-D301 PolarHBondContact O-N 3.12Å; T298-D301 PolarHBondContact OG1-N 3.46Å; T298-F304 HydrophobicContact CG2-CD2 4.27Å; T298-F304 HydrophobicContact CG2-CE2 4Å; T298-F304 WeakPolarHBondContact OG1-CD2 3.45Å; T298-Y368 HydrophobicContact CG2-CD1 4.45Å; T298-Y368 HydrophobicContact CG2-CE1 4.04Å
299	S	93.5	Very high	88.9	Confident	51 Å²	51	45.2 Å²	45.2	36%	0.357	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	167.7	-63.5	0	0	0	0	113	K446	S299-K446 WeakPolarHBondContact CB-O 3.4Å; S299-K446 VanDerWaalsContact OG-C 3.29Å; S299-K446 WeakPolarHBondContact OG-CB 3.32Å; S299-K446 PolarHBondContact OG-N 3.23Å; S299-K446 PolarHBondContact OG-O 3.17Å
300	D	94.2	Very high	87.4	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	24.6	180	-75.1	-74.6	0	0	0	113.1	T298 W302 V303 F304 Y368 F374 H447 R459	T298-D300 PolarHBondContact O-N 3Å; T298-D300 VanDerWaalsContact OG1-C 3.25Å; T298-D300 PolarHBondContact OG1-N 3.15Å; T298-D300 VanDerWaalsContact OG1-N 3.09Å; D300-W302 PolarHBondContact O-N 3.35Å; D300-W302 VanDerWaalsContact O-N 3.08Å; D300-V303 HydrophobicContact CB-CB 4.23Å; D300-V303 HydrophobicContact CB-CG2 4.3Å; D300-V303 WeakPolarHBondContact O-CA 3.41Å; D300-V303 WeakPolarHBondContact O-CB 3.29Å; D300-V303 PolarHBondContact O-N 3.22Å; D300-F304 HydrophobicContact CB-CD2 4.41Å; D300-F304 HydrophobicContact CB-CE2 4.35Å; D300-F304 WeakPolarHBondContact O-CD2 3.27Å; D300-F304 PolarHBondContact O-N 3.45Å; D300-F304 VanDerWaalsContact O-N 3.1Å; D300-Y368 HydrophobicContact CB-CE2 4.31Å; D300-Y368 PolarHBondContact OD2-OH 3.47Å; D300-F374 HydrophobicContact CB-CE1 3.62Å; D300-F374 HydrophobicContact CB-CZ 4.17Å; D300-H447 IonicContact OD2-CD2 2.67Å; D300-H447 PolarHBondContact OD2-CD2 3.34Å; D300-H447 IonicContact OD2-CG 3.55Å; D300-R459 IonicContact OD1-CZ 2.8Å; D300-R459 IonicContact OD1-NH2 3.9Å; D300-R459 PolarHBondContact OD1-NH2 3.18Å; D300-R459 IonicContact OD2-CZ 2.63Å; D300-R459 IonicContact OD2-NH1 2.72Å; D300-R459 IonicContact OD2-NH2 3.51Å; D300-R459 PolarHBondContact OD2-NH2 2.91Å
301	D	92.3	Very high	85.7	Confident	18 Å²	18	44.6 Å²	44.6	10%	0.096	23%	0.228	C	C	.	.	H	α-helix	trans	-49	-41.2	-176.8	-173.6	81.8	0	0	0	113.4	Y295 T298 V303 F304 K305	Y295-D301 PolarHBondContact OH-OD1 3.36Å; Y295-D301 PolarHBondContact OH-OD2 3.47Å; Y295-D301 VanDerWaalsContact OH-OD2 3.1Å; T298-D301 WeakPolarHBondContact O-CB 3.38Å; T298-D301 PolarHBondContact O-N 3.12Å; T298-D301 PolarHBondContact OG1-N 3.46Å; D301-V303 PolarHBondContact O-N 3.3Å; D301-F304 PolarHBondContact O-N 2.91Å; D301-K305 WeakPolarHBondContact O-CG 3.49Å; D301-K305 PolarHBondContact O-N 3.12Å; D301-K305 IonicContact OD1-NZ 3.88Å; D301-K305 WeakPolarHBondContact OD2-CE 3.4Å; D301-K305 IonicContact OD2-NZ 2.72Å; D301-K305 PolarHBondContact OD2-NZ 3.33Å
302	W	89.8	Confident	83.6	Confident	136 Å²	136	51.5 Å²	51.5	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-67.5	-34.1	176.6	-71.7	104.9	0	0	0	113.4	D300 I306 M311 I313 T462	D300-W302 PolarHBondContact O-N 3.35Å; D300-W302 VanDerWaalsContact O-N 3.08Å; W302-I306 WeakPolarHBondContact O-CG2 3.44Å; W302-I306 PolarHBondContact O-N 3.2Å; W302-I306 VanDerWaalsContact O-N 3.12Å; W302-M311 HydrophobicContact CE3-CE 4.48Å; W302-M311 HydrophobicContact CE3-SD 4.17Å; W302-M311 HydrophobicContact CH2-CE 3.99Å; W302-M311 HydrophobicContact CZ3-CE 3.44Å; W302-M311 VanDerWaalsContact CZ3-CE 3.44Å; W302-M311 HydrophobicContact CZ3-SD 3.67Å; W302-I313 HydrophobicContact CE3-CD1 4.29Å; W302-I313 HydrophobicContact CZ3-CD1 4.11Å; W302-T462 HydrophobicContact CB-CG2 4.07Å
303	V	91.3	Very high	81.4	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-50.2	174.7	180	0	0	0	0	108.8	D300 D301 K305 I306 L307 F374 L460 T462	D300-V303 HydrophobicContact CB-CB 4.23Å; D300-V303 HydrophobicContact CB-CG2 4.3Å; D300-V303 WeakPolarHBondContact O-CA 3.41Å; D300-V303 WeakPolarHBondContact O-CB 3.29Å; D300-V303 PolarHBondContact O-N 3.22Å; D301-V303 PolarHBondContact O-N 3.3Å; V303-K305 VanDerWaalsContact C-N 3.32Å; V303-K305 PolarHBondContact O-N 3.47Å; V303-I306 WeakPolarHBondContact O-CG1 3.5Å; V303-I306 PolarHBondContact O-N 3.1Å; V303-L307 HydrophobicContact CG1-CD1 4.08Å; V303-L307 HydrophobicContact CG1-CG 4.36Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 2.98Å; V303-F374 HydrophobicContact CB-CE1 4.4Å; V303-F374 HydrophobicContact CG1-CD1 4.19Å; V303-F374 HydrophobicContact CG1-CE1 4.1Å; V303-L460 HydrophobicContact CG1-CB 3.83Å; V303-T462 HydrophobicContact CG2-CG2 4.06Å
304	F	92.4	Very high	79	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-44	176.7	-76.7	-67.4	0	0	0	112.9	Y282 P283 T298 D300 D301 I306 L307 L308 Y368 F374 E375 V376	Y282-F304 HydrophobicContact CD2-CB 3.88Å; Y282-F304 HydrophobicContact CG-CB 4.07Å; P283-F304 HydrophobicContact CB-CE2 4.37Å; P283-F304 HydrophobicContact CB-CZ 4.36Å; P283-F304 HydrophobicContact CG-CD1 4.46Å; P283-F304 HydrophobicContact CG-CE1 3.89Å; P283-F304 HydrophobicContact CG-CE2 4.23Å; P283-F304 HydrophobicContact CG-CZ 3.75Å; T298-F304 HydrophobicContact CG2-CD2 4.27Å; T298-F304 HydrophobicContact CG2-CE2 4Å; T298-F304 WeakPolarHBondContact OG1-CD2 3.45Å; D300-F304 HydrophobicContact CB-CD2 4.41Å; D300-F304 HydrophobicContact CB-CE2 4.35Å; D300-F304 WeakPolarHBondContact O-CD2 3.27Å; D300-F304 PolarHBondContact O-N 3.45Å; D300-F304 VanDerWaalsContact O-N 3.1Å; D301-F304 PolarHBondContact O-N 2.91Å; F304-I306 PolarHBondContact O-N 3.06Å; F304-L307 HydrophobicContact CD1-CD1 4.46Å; F304-L307 WeakPolarHBondContact O-CB 3.43Å; F304-L307 PolarHBondContact O-N 3.29Å; F304-L308 WeakPolarHBondContact O-CG 3.25Å; F304-L308 PolarHBondContact O-N 3.33Å; F304-Y368 AromaticContact CE2-CD2 3.91Å; F304-Y368 HydrophobicContact CE2-CD2 3.91Å; F304-Y368 AromaticContact CE2-CE2 3.7Å; F304-Y368 HydrophobicContact CE2-CE2 3.7Å; F304-Y368 HydrophobicContact CE2-CG 4.48Å; F304-Y368 AromaticContact CZ-CD2 3.66Å; F304-Y368 HydrophobicContact CZ-CD2 3.66Å; F304-Y368 AromaticContact CZ-CE2 3.93Å; F304-Y368 HydrophobicContact CZ-CE2 3.93Å; F304-Y368 HydrophobicContact CZ-CG 4.22Å; F304-F374 HydrophobicContact CE1-CB 4.12Å; F304-F374 HydrophobicContact CE1-CD1 4.05Å; F304-F374 HydrophobicContact CE1-CG 4.48Å; F304-F374 AromaticContact CE2-CD1 4Å; F304-F374 HydrophobicContact CE2-CD1 4Å; F304-F374 HydrophobicContact CE2-CE1 4.3Å; F304-F374 HydrophobicContact CZ-CB 4.25Å; F304-F374 AromaticContact CZ-CD1 3.69Å; F304-F374 HydrophobicContact CZ-CD1 3.69Å; F304-F374 HydrophobicContact CZ-CE1 4.4Å; F304-F374 HydrophobicContact CZ-CG 4.21Å; F304-E375 WeakPolarHBondContact CE1-O 3.2Å; F304-V376 HydrophobicContact CD1-CG1 3.76Å; F304-V376 HydrophobicContact CE1-CG1 4.16Å
305	K	89.2	Confident	76.2	Confident	35 Å²	35	47.6 Å²	47.6	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.1	-75.8	171.9	176.6	163.3	0	112.9	Y282 Y295 D301 V303 L307 L308 A309 M311 I350	Y282-K305 HydrophobicContact CE1-CG 4.38Å; Y282-K305 HydrophobicContact CE2-CG 4.46Å; Y282-K305 WeakPolarHBondContact OH-CE 3.2Å; Y295-K305 WeakPolarHBondContact OH-CE 3.39Å; Y295-K305 PolarHBondContact OH-NZ 3.38Å; D301-K305 WeakPolarHBondContact O-CG 3.49Å; D301-K305 PolarHBondContact O-N 3.12Å; D301-K305 IonicContact OD1-NZ 3.88Å; D301-K305 WeakPolarHBondContact OD2-CE 3.4Å; D301-K305 IonicContact OD2-NZ 2.72Å; D301-K305 PolarHBondContact OD2-NZ 3.33Å; V303-K305 VanDerWaalsContact C-N 3.32Å; V303-K305 PolarHBondContact O-N 3.47Å; K305-L307 VanDerWaalsContact C-N 3.33Å; K305-L307 PolarHBondContact O-N 2.99Å; K305-L308 PolarHBondContact O-N 2.91Å; K305-A309 PolarHBondContact O-N 2.89Å; K305-M311 HydrophobicContact CB-SD 3.95Å; K305-M311 HydrophobicContact CD-SD 4.01Å; K305-M311 HydrophobicContact CG-SD 4.44Å; K305-I350 HydrophobicContact CG-CD1 4.16Å
306	I	82.9	Confident	73.3	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-27.9	179.7	68	155.7	0	0	0	113.2	W302 V303 F304 L308 A321 I411 T462	W302-I306 WeakPolarHBondContact O-CG2 3.44Å; W302-I306 PolarHBondContact O-N 3.2Å; W302-I306 VanDerWaalsContact O-N 3.12Å; V303-I306 WeakPolarHBondContact O-CG1 3.5Å; V303-I306 PolarHBondContact O-N 3.1Å; F304-I306 PolarHBondContact O-N 3.06Å; I306-L308 PolarHBondContact O-N 3.3Å; I306-A321 WeakPolarHBondContact O-CB 3.47Å; I306-I411 HydrophobicContact CD1-CD1 3.85Å; I306-T462 HydrophobicContact CD1-CG2 3.69Å; I306-T462 HydrophobicContact CG1-CG2 3.96Å; I306-T462 HydrophobicContact CG2-CG2 4.11Å
307	L	76.6	Confident	70.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-26.5	174.3	-69.7	173.4	0	0	0	111.4	L269 V303 F304 K305 A321 Y322 F405 Q408 I411	L269-L307 HydrophobicContact CD1-CD1 3.71Å; L269-L307 HydrophobicContact CD1-CD2 4.09Å; L269-L307 HydrophobicContact CD2-CD2 4.36Å; V303-L307 HydrophobicContact CG1-CD1 4.08Å; V303-L307 HydrophobicContact CG1-CG 4.36Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 2.98Å; F304-L307 HydrophobicContact CD1-CD1 4.46Å; F304-L307 WeakPolarHBondContact O-CB 3.43Å; F304-L307 PolarHBondContact O-N 3.29Å; K305-L307 VanDerWaalsContact C-N 3.33Å; K305-L307 PolarHBondContact O-N 2.99Å; L307-A321 WeakPolarHBondContact O-CA 3.39Å; L307-Y322 PolarHBondContact O-N 2.76Å; L307-F405 HydrophobicContact CB-CE2 4.26Å; L307-Q408 HydrophobicContact CD2-CB 3.38Å; L307-Q408 HydrophobicContact CD2-CG 3.78Å; L307-I411 HydrophobicContact CD2-CD1 3.92Å
308	L	75.5	Confident	67.2	Low	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-110.1	-44.5	-172.4	-62.6	-174.2	0	0	0	114.9	A280 Y282 F304 K305 I306 A321 Y322 S323 I350 V376 L378 F405	A280-L308 HydrophobicContact CB-CB 4.05Å; A280-L308 HydrophobicContact CB-CD1 3.7Å; A280-L308 HydrophobicContact CB-CD2 3.59Å; A280-L308 HydrophobicContact CB-CG 3.98Å; Y282-L308 HydrophobicContact CD1-CD1 3.79Å; Y282-L308 HydrophobicContact CG-CD1 4.18Å; F304-L308 WeakPolarHBondContact O-CG 3.25Å; F304-L308 PolarHBondContact O-N 3.33Å; K305-L308 PolarHBondContact O-N 2.91Å; I306-L308 PolarHBondContact O-N 3.3Å; L308-A321 CarbonylContact O-C 3.34Å; L308-A321 VanDerWaalsContact O-C 3.31Å; L308-A321 WeakPolarHBondContact O-CB 3.43Å; L308-Y322 PolarHBondContact O-N 3.47Å; L308-S323 WeakPolarHBondContact O-CB 3.25Å; L308-S323 PolarHBondContact O-N 3.38Å; L308-S323 PolarHBondContact O-OG 3.38Å; L308-I350 HydrophobicContact CB-CB 4.3Å; L308-I350 HydrophobicContact CB-CG2 3.48Å; L308-I350 VanDerWaalsContact CB-CG2 3.48Å; L308-V376 HydrophobicContact CD1-CB 4.36Å; L308-V376 HydrophobicContact CD1-CG1 4.11Å; L308-V376 HydrophobicContact CD2-CB 4.01Å; L308-V376 HydrophobicContact CD2-CG1 4Å; L308-V376 HydrophobicContact CD2-CG2 3.77Å; L308-V376 HydrophobicContact CG-CG1 4.16Å; L308-L378 HydrophobicContact CD2-CD2 4.05Å; L308-F405 HydrophobicContact CD2-CE2 4.33Å
309	A	64.4	Low	64.7	Low	6 Å²	6	65.5 Å²	65.5	5%	0.05	34%	0.342	C	S	.	.	S	Bend	trans	-124.6	142.6	174.3	0	0	0	0	0	113.4	K305 M311 I350	K305-A309 PolarHBondContact O-N 2.89Å; A309-M311 PolarHBondContact O-N 3.32Å; A309-M311 VanDerWaalsContact O-N 3.08Å; A309-I350 HydrophobicContact CB-CD1 3.86Å; A309-I350 HydrophobicContact CB-CG1 4.26Å; A309-I350 HydrophobicContact CB-CG2 3.72Å
310	S	59.2	Low	62.7	Low	60 Å²	60	63.5 Å²	63.5	42%	0.42	33%	0.327	S	S	.	.			trans	-71.7	102.4	166	-63.1	0	0	0	0	108.9
311	M	53.1	Low	61.5	Low	81 Å²	81	63.3 Å²	63.3	40%	0.399	33%	0.326	S	S	.	.			trans	-82.7	130.9	171.1	-74.4	-176.2	74.4	0	0	110.5	W302 K305 A309 I313	W302-M311 HydrophobicContact CE3-CE 4.48Å; W302-M311 HydrophobicContact CE3-SD 4.17Å; W302-M311 HydrophobicContact CH2-CE 3.99Å; W302-M311 HydrophobicContact CZ3-CE 3.44Å; W302-M311 VanDerWaalsContact CZ3-CE 3.44Å; W302-M311 HydrophobicContact CZ3-SD 3.67Å; K305-M311 HydrophobicContact CB-SD 3.95Å; K305-M311 HydrophobicContact CD-SD 4.01Å; K305-M311 HydrophobicContact CG-SD 4.44Å; A309-M311 PolarHBondContact O-N 3.32Å; A309-M311 VanDerWaalsContact O-N 3.08Å; M311-I313 VanDerWaalsContact C-N 3.33Å; M311-I313 HydrophobicContact CB-CG1 4.29Å; M311-I313 PolarHBondContact O-N 3.32Å
312	F	48.4	Very low	61.3	Low	177 Å²	177	62.5 Å²	62.5	78%	0.776	32%	0.322	S	S	*	.			trans	-67.4	91.6	166.9	-86	-86.6	0	0	0	109.3
313	I	44.9	Very low	61.1	Low	95 Å²	95	56 Å²	56	49%	0.487	30%	0.297	S	S	.	.			trans	-101.6	109.3	164.8	-56	178.4	0	0	0	107.4	W302 M311 G315	W302-I313 HydrophobicContact CE3-CD1 4.29Å; W302-I313 HydrophobicContact CZ3-CD1 4.11Å; M311-I313 VanDerWaalsContact C-N 3.33Å; M311-I313 HydrophobicContact CB-CG1 4.29Å; M311-I313 PolarHBondContact O-N 3.32Å; I313-G315 PolarHBondContact O-N 2.82Å
314	C	41.5	Very low	60.8	Low	120 Å²	120	58 Å²	58	81%	0.811	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	46.6	170.5	-68.3	0	0	0	0	116.6	R316	C314-R316 PolarHBondContact O-N 2.78Å
315	G	33.9	Very low	60.6	Low	62 Å²	62	62.9 Å²	62.9	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	12.6	165.4	0	0	0	0	0	115.9	I313	I313-G315 PolarHBondContact O-N 2.82Å
316	R	32.6	Very low	60.7	Low	216 Å²	216	61.6 Å²	61.6	82%	0.815	33%	0.325	S	S	*	.			trans	-108.2	104.9	175.3	-72.5	-172.7	173	178.6	-0.5	109.5	C314 L318	C314-R316 PolarHBondContact O-N 2.78Å; R316-L318 PolarHBondContact O-N 2.78Å
317	H	29.7	Very low	61.1	Low	163 Å²	163	63.9 Å²	63.9	76%	0.755	35%	0.347	S	S	*	.			trans	-60.4	112.5	169.6	-71	78.1	0	0	0	109.7
318	L	32.7	Very low	61.8	Low	98 Å²	98	65.4 Å²	65.4	51%	0.513	36%	0.357	S	S	.	.			trans	-162.8	104.5	159.1	-101.5	123.4	0	0	0	105.3	R316 N486	R316-L318 PolarHBondContact O-N 2.78Å; L318-N486 WeakPolarHBondContact CD2-O 3.46Å
319	A	40.3	Very low	62.5	Low	30 Å²	30	65.4 Å²	65.4	25%	0.248	36%	0.357	C	S	.	.				85.3	128.7	104.6	0	0	0	0	0	110.4
320	L	51.8	Low	63.5	Low	9 Å²	9	66.8 Å²	66.8	5%	0.047	37%	0.367	C	S	.	.			cis	-177	99.4	14	-99.3	141.8	0	0	0	101.8	N404 Q408 H488	L320-N404 WeakPolarHBondContact CA-ND2 3.12Å; L320-N404 WeakPolarHBondContact CB-ND2 3.32Å; L320-N404 HydrophobicContact CD2-CB 4.43Å; L320-N404 WeakPolarHBondContact CD2-ND2 3.34Å; L320-N404 WeakPolarHBondContact CD2-OD1 3.31Å; L320-N404 PolarHBondContact O-ND2 3.24Å; L320-Q408 HydrophobicContact CB-CG 4.27Å; L320-Q408 VanDerWaalsContact O-CG 3.27Å; L320-Q408 WeakPolarHBondContact O-CG 3.32Å; L320-Q408 PolarHBondContact O-OE1 2.54Å; L320-H488 HydrophobicContact CD1-CB 4.41Å; L320-H488 WeakPolarHBondContact CD2-CD2 3.45Å; L320-H488 WeakPolarHBondContact CD2-NE2 3.47Å; L320-H488 VanDerWaalsContact CG-CD2 3.44Å; L320-H488 WeakPolarHBondContact CG-CD2 3.19Å
321	A	70	Confident	64.8	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.			trans	-131.4	135.2	-158	0	0	0	0	0	111.3	I306 L307 L308 S323 T324 K325 N404	I306-A321 WeakPolarHBondContact O-CB 3.47Å; L307-A321 WeakPolarHBondContact O-CA 3.39Å; L308-A321 CarbonylContact O-C 3.34Å; L308-A321 VanDerWaalsContact O-C 3.31Å; L308-A321 WeakPolarHBondContact O-CB 3.43Å; A321-S323 VanDerWaalsContact C-N 3.34Å; A321-S323 PolarHBondContact O-N 3.35Å; A321-T324 HydrophobicContact CB-CG2 4.47Å; A321-T324 WeakPolarHBondContact CB-OG1 3.45Å; A321-T324 PolarHBondContact O-N 2.76Å; A321-T324 PolarHBondContact O-OG1 3.36Å; A321-K325 PolarHBondContact O-N 2.9Å; A321-K325 VanDerWaalsContact O-N 3.15Å; A321-N404 PolarHBondContact N-ND2 3.36Å
322	Y	87.6	Confident	66.2	Low	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-53.4	-50.3	-172	-167.2	-83.7	0	0	0	111.9	L307 L308 T324 K325 H326 M329 L378 L380 N398 A401 L402 F405	L307-Y322 PolarHBondContact O-N 2.76Å; L308-Y322 PolarHBondContact O-N 3.47Å; Y322-T324 VanDerWaalsContact C-N 3.3Å; Y322-T324 PolarHBondContact O-N 2.8Å; Y322-K325 PolarHBondContact O-N 3.35Å; Y322-K325 VanDerWaalsContact O-N 3.15Å; Y322-H326 PolarHBondContact O-N 3.36Å; Y322-M329 HydrophobicContact CD1-CE 4.02Å; Y322-M329 HydrophobicContact CD1-SD 4.15Å; Y322-M329 HydrophobicContact CE1-CE 3.9Å; Y322-L378 HydrophobicContact CD1-CD1 4.22Å; Y322-L378 HydrophobicContact CD1-CD2 3.88Å; Y322-L378 HydrophobicContact CD2-CD1 3.57Å; Y322-L378 HydrophobicContact CD2-CD2 4.32Å; Y322-L378 HydrophobicContact CE1-CD1 4.11Å; Y322-L378 HydrophobicContact CE1-CD2 4.34Å; Y322-L378 HydrophobicContact CE2-CD1 3.44Å; Y322-L378 VanDerWaalsContact CE2-CD1 3.44Å; Y322-L378 HydrophobicContact CG-CD1 3.95Å; Y322-L378 HydrophobicContact CG-CD2 3.86Å; Y322-L380 HydrophobicContact CE1-CD2 4.12Å; Y322-L380 VanDerWaalsContact OH-CD2 3.29Å; Y322-L380 WeakPolarHBondContact OH-CD2 3.47Å; Y322-N398 PolarHBondContact OH-OD1 2.73Å; Y322-A401 HydrophobicContact CD1-CB 4.11Å; Y322-A401 HydrophobicContact CD2-CB 3.8Å; Y322-A401 HydrophobicContact CE1-CB 4.1Å; Y322-A401 HydrophobicContact CE2-CB 3.79Å; Y322-A401 HydrophobicContact CG-CB 3.98Å; Y322-A401 WeakPolarHBondContact O-CB 3.37Å; Y322-L402 HydrophobicContact CE2-CD2 3.83Å; Y322-L402 HydrophobicContact CE2-CG 4.02Å; Y322-F405 HydrophobicContact CD2-CB 3.99Å; Y322-F405 HydrophobicContact CD2-CG 4.38Å
323	S	84.8	Confident	67.9	Low	0 Å²	0	65 Å²	65	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-36.1	-174.8	77.5	0	0	0	0	112.9	L308 A321 M329 S330 G348	L308-S323 WeakPolarHBondContact O-CB 3.25Å; L308-S323 PolarHBondContact O-N 3.38Å; L308-S323 PolarHBondContact O-OG 3.38Å; A321-S323 VanDerWaalsContact C-N 3.34Å; A321-S323 PolarHBondContact O-N 3.35Å; S323-M329 VanDerWaalsContact CA-SD 3.54Å; S323-M329 VanDerWaalsContact CB-SD 3.51Å; S323-S330 WeakPolarHBondContact O-CB 3.46Å; S323-S330 PolarHBondContact O-N 2.8Å; S323-S330 PolarHBondContact O-OG 3.41Å; S323-G348 WeakPolarHBondContact CB-O 3.36Å; S323-G348 PolarHBondContact OG-O 3.32Å
324	T	84.9	Confident	69.8	Low	48 Å²	48	61.5 Å²	61.5	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-77.5	-21.1	-179.8	59.9	0	0	0	0	113.8	A321 Y322	A321-T324 HydrophobicContact CB-CG2 4.47Å; A321-T324 WeakPolarHBondContact CB-OG1 3.45Å; A321-T324 PolarHBondContact O-N 2.76Å; A321-T324 PolarHBondContact O-OG1 3.36Å; Y322-T324 VanDerWaalsContact C-N 3.3Å; Y322-T324 PolarHBondContact O-N 2.8Å
325	K	88.3	Confident	71.8	Confident	102 Å²	102	63.2 Å²	63.2	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-94.7	-19.9	175.1	-71.6	-67.7	-173.2	-179	0	112.5	A321 Y322 A401 N404	A321-K325 PolarHBondContact O-N 2.9Å; A321-K325 VanDerWaalsContact O-N 3.15Å; Y322-K325 PolarHBondContact O-N 3.35Å; Y322-K325 VanDerWaalsContact O-N 3.15Å; K325-A401 HydrophobicContact CB-CB 3.88Å; K325-N404 VanDerWaalsContact CE-OD1 3.24Å; K325-N404 WeakPolarHBondContact CE-OD1 3.46Å; K325-N404 HydrophobicContact CG-CB 4.07Å
326	H	91.3	Very high	74.4	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.037	33%	0.33	C	S	.	.	S	Bend	trans	-65	139.8	168.8	-170.4	-91.7	0	0	0	110	Y322 S328 M329 D397 N398 A401	Y322-H326 PolarHBondContact O-N 3.36Å; H326-S328 PolarHBondContact CE1-OG 3.42Å; H326-S328 PolarHBondContact ND1-N 2.83Å; H326-S328 PolarHBondContact ND1-OG 3.26Å; H326-S328 PolarHBondContact O-N 3.32Å; H326-S328 VanDerWaalsContact O-N 3.11Å; H326-M329 HydrophobicContact CB-CB 3.65Å; H326-M329 WeakPolarHBondContact ND1-CB 3.44Å; H326-M329 PolarHBondContact ND1-N 3.4Å; H326-D397 WeakPolarHBondContact CA-O 3.35Å; H326-D397 PolarHBondContact CD2-O 2.81Å; H326-D397 VanDerWaalsContact CD2-O 3.32Å; H326-N398 VanDerWaalsContact CD2-CG 3.44Å; H326-N398 PolarHBondContact CD2-OD1 3.23Å; H326-N398 PolarHBondContact NE2-ND2 2.87Å; H326-N398 PolarHBondContact NE2-OD1 3.44Å; H326-A401 HydrophobicContact CB-CB 4.38Å
327	A	91.4	Very high	77	Confident	66 Å²	66	52 Å²	52	55%	0.545	29%	0.291	S	S	.	.	S	Bend	trans	-58.4	-30.8	-174	0	0	0	0	0	114.3	D397	A327-D397 HydrophobicContact CB-CB 3.87Å; A327-D397 WeakPolarHBondContact CB-OD1 3.19Å; A327-D397 PolarHBondContact N-O 3.11Å; A327-D397 VanDerWaalsContact N-O 3.11Å
328	S	90.7	Very high	79.5	Confident	32 Å²	32	49.1 Å²	49.1	22%	0.224	29%	0.287	C	S	.	.	S	Bend	trans	-135.4	-7.4	-172.3	61.8	0	0	0	0	116	H326 S330 S331 R334	H326-S328 PolarHBondContact CE1-OG 3.42Å; H326-S328 PolarHBondContact ND1-N 2.83Å; H326-S328 PolarHBondContact ND1-OG 3.26Å; H326-S328 PolarHBondContact O-N 3.32Å; H326-S328 VanDerWaalsContact O-N 3.11Å; S328-S330 PolarHBondContact O-N 3.25Å; S328-S331 VanDerWaalsContact O-CB 3.32Å; S328-S331 WeakPolarHBondContact O-CB 3.41Å; S328-S331 PolarHBondContact O-N 3.01Å; S328-S331 VanDerWaalsContact O-N 3.1Å; S328-R334 VanDerWaalsContact O-CD 3.23Å; S328-R334 WeakPolarHBondContact O-CD 3.34Å
329	M	90.5	Very high	81.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-46.5	-166.9	-175.4	-179	-77	0	0	110.9	L278 A280 Y322 S323 H326 S331 R334 E379	L278-M329 HydrophobicContact CD1-CB 4.36Å; L278-M329 HydrophobicContact CD1-CE 3.77Å; L278-M329 HydrophobicContact CD1-CG 4.42Å; L278-M329 HydrophobicContact CG-CB 4.31Å; L278-M329 HydrophobicContact CG-CG 4.27Å; A280-M329 HydrophobicContact CB-SD 4.05Å; Y322-M329 HydrophobicContact CD1-CE 4.02Å; Y322-M329 HydrophobicContact CD1-SD 4.15Å; Y322-M329 HydrophobicContact CE1-CE 3.9Å; S323-M329 VanDerWaalsContact CA-SD 3.54Å; S323-M329 VanDerWaalsContact CB-SD 3.51Å; H326-M329 HydrophobicContact CB-CB 3.65Å; H326-M329 WeakPolarHBondContact ND1-CB 3.44Å; H326-M329 PolarHBondContact ND1-N 3.4Å; M329-S331 VanDerWaalsContact C-N 3.34Å; M329-R334 PolarHBondContact O-NH1 3.32Å; M329-E379 VanDerWaalsContact CE-O 3.31Å; M329-E379 WeakPolarHBondContact CE-O 2.97Å
330	S	86.5	Confident	82.9	Confident	35 Å²	35	51 Å²	51	25%	0.245	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.2	173.7	77	0	0	0	0	113.9	S323 S328 G348	S323-S330 WeakPolarHBondContact O-CB 3.46Å; S323-S330 PolarHBondContact O-N 2.8Å; S323-S330 PolarHBondContact O-OG 3.41Å; S328-S330 PolarHBondContact O-N 3.25Å; S330-G348 WeakPolarHBondContact CB-O 3.42Å
331	S	86.4	Confident	83.9	Confident	36 Å²	36	58 Å²	58	25%	0.252	32%	0.324	S	S	.	.			trans	-76.2	123.2	-175.1	178.5	0	0	0	0	110.3	S328 M329 N333 R334 S345	S328-S331 VanDerWaalsContact O-CB 3.32Å; S328-S331 WeakPolarHBondContact O-CB 3.41Å; S328-S331 PolarHBondContact O-N 3.01Å; S328-S331 VanDerWaalsContact O-N 3.1Å; M329-S331 VanDerWaalsContact C-N 3.34Å; S331-N333 PolarHBondContact O-N 3.15Å; S331-N333 VanDerWaalsContact O-N 3.11Å; S331-N333 PolarHBondContact OG-N 3.15Å; S331-R334 WeakPolarHBondContact O-CB 3.49Å; S331-R334 PolarHBondContact O-N 2.88Å; S331-S345 WeakPolarHBondContact O-CB 3.5Å
332	P	82.2	Confident	84.5	Confident	105 Å²	105	60.7 Å²	60.7	68%	0.682	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.3	179.4	27.7	-35.4	0	0	0	113.1
333	N	84	Confident	84.3	Confident	140 Å²	140	63.5 Å²	63.5	75%	0.749	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1	178.2	-62.6	-28.7	0	0	0	112.9	S331	S331-N333 PolarHBondContact O-N 3.15Å; S331-N333 VanDerWaalsContact O-N 3.11Å; S331-N333 PolarHBondContact OG-N 3.15Å
334	R	84.5	Confident	84.3	Confident	22 Å²	22	63.7 Å²	63.7	8%	0.083	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-68.9	134.2	179.9	-175.4	-163.2	119	-172.4	8.9	110	D277 L278 S328 M329 S331	D277-R334 IonicContact OD1-NH2 3.75Å; D277-R334 PolarHBondContact OD1-NH2 3.24Å; L278-R334 HydrophobicContact CD2-CG 4.42Å; L278-R334 PolarHBondContact O-NH1 3.29Å; L278-R334 PolarHBondContact O-NH2 3.35Å; S328-R334 VanDerWaalsContact O-CD 3.23Å; S328-R334 WeakPolarHBondContact O-CD 3.34Å; M329-R334 PolarHBondContact O-NH1 3.32Å; S331-R334 WeakPolarHBondContact O-CB 3.49Å; S331-R334 PolarHBondContact O-N 2.88Å
335	Q	84.6	Confident	84.2	Confident	156 Å²	156	61.8 Å²	61.8	73%	0.729	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-76	136	169	-66.9	-62	-43.9	0	0	110.1
336	P	86.6	Confident	83.9	Confident	40 Å²	40	61.6 Å²	61.6	26%	0.26	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-55.2	154.4	170.7	-26.2	36.2	0	0	0	111.9	N343	P336-N343 HydrophobicContact CG-CB 3.78Å
337	C	88.8	Confident	83.4	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.014	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.9	136.4	172.5	-69.3	0	0	0	0	109.4	D277 M339 H341 C382	D277-C337 PolarHBondContact OD1-SG 2.85Å; D277-C337 VanDerWaalsContact OD1-SG 3.34Å; C337-M339 PolarHBondContact O-N 2.92Å; C337-H341 PolarHBondContact O-N 3.4Å; C337-C382 WeakPolarHBondContact CA-SG 3.25Å; C337-C382 HydrophobicContact CB-CB 3.65Å; C337-C382 WeakPolarHBondContact CB-SG 3.49Å; C337-C382 VanDerWaalsContact SG-CA 3.53Å; C337-C382 WeakPolarHBondContact SG-CB 3.46Å; C337-C382 CovalentContact SG-SG 2.03Å; C337-C382 PolarHBondContact SG-SG 3.07Å
338	P	81.8	Confident	83	Confident	102 Å²	102	67.4 Å²	67.4	66%	0.662	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	-170.5	-27.5	34.7	0	0	0	115.3	H341	P338-H341 PolarHBondContact O-CE1 3.08Å; P338-H341 VanDerWaalsContact O-CE1 3.26Å
339	M	73.1	Confident	82.9	Confident	129 Å²	129	65.9 Å²	65.9	64%	0.635	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-34.2	-171.8	-66	-168.5	69.1	0	0	114.3	W204 C337	W204-M339 HydrophobicContact CD2-CE 4.46Å; W204-M339 HydrophobicContact CD2-SD 4.47Å; W204-M339 HydrophobicContact CE3-SD 4.01Å; W204-M339 HydrophobicContact CH2-SD 4.29Å; W204-M339 HydrophobicContact CZ3-SD 3.91Å; C337-M339 PolarHBondContact O-N 2.92Å
340	T	71	Confident	82.9	Confident	38 Å²	38	66.5 Å²	66.5	23%	0.233	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-24.2	-175.7	52.6	0	0	0	0	112	D277 E342	D277-T340 WeakPolarHBondContact OD2-CB 3.37Å; D277-T340 WeakPolarHBondContact OD2-CG2 3.25Å; D277-T340 PolarHBondContact OD2-OG1 3.35Å; T340-E342 PolarHBondContact O-N 2.94Å
341	H	73.1	Confident	83.1	Confident	157 Å²	157	65.6 Å²	65.6	73%	0.727	35%	0.35	S	S	*	.			trans	58	0.6	-174.6	-58.2	-65.6	0	0	0	115	C337 P338	C337-H341 PolarHBondContact O-N 3.4Å; P338-H341 PolarHBondContact O-CE1 3.08Å; P338-H341 VanDerWaalsContact O-CE1 3.26Å
342	E	82	Confident	83.4	Confident	56 Å²	56	64 Å²	64	26%	0.262	34%	0.339	S	S	.	.			trans	-83.9	129.2	179.4	-70.2	-169.5	-155.4	0	0	111.2	T340 F344	T340-E342 PolarHBondContact O-N 2.94Å; E342-F344 HydrophobicContact CB-CD2 4.42Å; E342-F344 HydrophobicContact CB-CE1 4.2Å; E342-F344 HydrophobicContact CB-CE2 3.86Å; E342-F344 HydrophobicContact CB-CZ 3.74Å; E342-F344 HydrophobicContact CG-CZ 4.44Å; E342-F344 PolarHBondContact O-N 3.37Å; E342-F344 WeakPolarHBondContact OE2-CE1 3.31Å; E342-F344 WeakPolarHBondContact OE2-CZ 3.37Å
343	N	84.5	Confident	84	Confident	59 Å²	59	59 Å²	59	32%	0.316	31%	0.307	S	S	.	.			trans	-101.3	77.5	179	-167.4	-1.4	0	0	0	111.5	P336 S345 V346	P336-N343 HydrophobicContact CG-CB 3.78Å; N343-S345 PolarHBondContact O-N 2.97Å; N343-S345 VanDerWaalsContact O-N 3.14Å; N343-S345 WeakPolarHBondContact OD1-CB 3.47Å; N343-S345 PolarHBondContact OD1-N 3.26Å; N343-S345 PolarHBondContact OD1-OG 2.84Å; N343-V346 HydrophobicContact CB-CG2 4.26Å; N343-V346 PolarHBondContact O-N 2.92Å
344	F	84.5	Confident	84.5	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.018	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.4	-21.3	178.4	-61.2	-63.9	0	0	0	114.3	D277 V279 E342 V346 Y347 G349 T351 W356	D277-F344 HydrophobicContact CB-CE2 4.46Å; D277-F344 WeakPolarHBondContact OD2-CE2 3.47Å; V279-F344 HydrophobicContact CB-CB 4.03Å; V279-F344 HydrophobicContact CB-CD1 4.44Å; V279-F344 HydrophobicContact CB-CD2 3.58Å; V279-F344 HydrophobicContact CB-CE2 4.11Å; V279-F344 HydrophobicContact CB-CG 3.76Å; V279-F344 HydrophobicContact CG1-CD2 3.9Å; V279-F344 HydrophobicContact CG1-CE2 3.9Å; V279-F344 HydrophobicContact CG1-CG 4.4Å; V279-F344 HydrophobicContact CG1-CZ 4.41Å; V279-F344 HydrophobicContact CG2-CB 3.71Å; V279-F344 HydrophobicContact CG2-CD1 3.8Å; V279-F344 HydrophobicContact CG2-CD2 3.88Å; V279-F344 HydrophobicContact CG2-CE1 4.38Å; V279-F344 HydrophobicContact CG2-CE2 4.43Å; V279-F344 HydrophobicContact CG2-CG 3.51Å; E342-F344 HydrophobicContact CB-CD2 4.42Å; E342-F344 HydrophobicContact CB-CE1 4.2Å; E342-F344 HydrophobicContact CB-CE2 3.86Å; E342-F344 HydrophobicContact CB-CZ 3.74Å; E342-F344 HydrophobicContact CG-CZ 4.44Å; E342-F344 PolarHBondContact O-N 3.37Å; E342-F344 WeakPolarHBondContact OE2-CE1 3.31Å; E342-F344 WeakPolarHBondContact OE2-CZ 3.37Å; F344-V346 PolarHBondContact O-N 3.4Å; F344-Y347 PolarHBondContact O-N 2.82Å; F344-G349 VanDerWaalsContact O-CA 3.31Å; F344-G349 WeakPolarHBondContact O-CA 3.33Å; F344-G349 PolarHBondContact O-N 3.22Å; F344-T351 HydrophobicContact CD1-CG2 4.32Å; F344-T351 HydrophobicContact CE1-CG2 3.92Å; F344-T351 HydrophobicContact CZ-CG2 4.42Å; F344-W356 HydrophobicContact CE1-CG 4.34Å; F344-W356 HydrophobicContact CE2-CZ2 4.47Å; F344-W356 AromaticContact CZ-CD1 3.7Å; F344-W356 AromaticContact CZ-CD2 3.91Å; F344-W356 HydrophobicContact CZ-CD2 3.91Å; F344-W356 AromaticContact CZ-CE2 3.8Å; F344-W356 AromaticContact CZ-CG 3.86Å; F344-W356 HydrophobicContact CZ-CG 3.86Å; F344-W356 HydrophobicContact CZ-CZ2 4.45Å; F344-W356 AromaticContact CZ-NE1 3.67Å
345	S	82.1	Confident	84.9	Confident	8 Å²	8	53.7 Å²	53.7	6%	0.056	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60.7	-28.4	-179.9	74.9	0	0	0	0	112.8	S331 N343 Y347 G348	S331-S345 WeakPolarHBondContact O-CB 3.5Å; N343-S345 PolarHBondContact O-N 2.97Å; N343-S345 VanDerWaalsContact O-N 3.14Å; N343-S345 WeakPolarHBondContact OD1-CB 3.47Å; N343-S345 PolarHBondContact OD1-N 3.26Å; N343-S345 PolarHBondContact OD1-OG 2.84Å; S345-Y347 PolarHBondContact O-N 3.29Å; S345-G348 PolarHBondContact O-N 2.81Å; S345-G348 VanDerWaalsContact O-N 3.12Å
346	V	81.8	Confident	85.3	Confident	99 Å²	99	47.1 Å²	47.1	60%	0.6	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63	-29.6	177.3	-179.1	0	0	0	0	111.5	N343 F344	N343-V346 HydrophobicContact CB-CG2 4.26Å; N343-V346 PolarHBondContact O-N 2.92Å; F344-V346 PolarHBondContact O-N 3.4Å
347	Y	81.1	Confident	85.6	Confident	172 Å²	172	48.9 Å²	48.9	68%	0.675	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-101.3	21.9	179.6	-53.4	-65.6	0	0	0	112.4	F344 S345 G349 I350	F344-Y347 PolarHBondContact O-N 2.82Å; S345-Y347 PolarHBondContact O-N 3.29Å; Y347-G349 VanDerWaalsContact C-N 3.34Å; Y347-I350 WeakPolarHBondContact O-CG1 3.34Å
348	G	83.9	Confident	85.9	Confident	23 Å²	23	50.1 Å²	50.1	24%	0.237	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	15.5	-179.1	0	0	0	0	0	113.9	S323 S330 S345	S323-G348 WeakPolarHBondContact CB-O 3.36Å; S323-G348 PolarHBondContact OG-O 3.32Å; S330-G348 WeakPolarHBondContact CB-O 3.42Å; S345-G348 PolarHBondContact O-N 2.81Å; S345-G348 VanDerWaalsContact O-N 3.12Å
349	G	87.4	Confident	86.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	75.9	28.2	179.1	0	0	0	0	0	113.7	A280 F344 Y347	A280-G349 PolarHBondContact N-O 3.45Å; F344-G349 VanDerWaalsContact O-CA 3.31Å; F344-G349 WeakPolarHBondContact O-CA 3.33Å; F344-G349 PolarHBondContact O-N 3.22Å; Y347-G349 VanDerWaalsContact C-N 3.34Å
350	I	90.2	Very high	87.6	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.9	178.5	70	166.9	0	0	0	110.7	A280 Y282 K305 L308 A309 Y347	A280-I350 HydrophobicContact CB-CG2 4.28Å; A280-I350 CarbonylContact O-C 3.02Å; A280-I350 WeakPolarHBondContact O-CA 3.31Å; Y282-I350 HydrophobicContact CE1-CB 4.5Å; Y282-I350 HydrophobicContact CE1-CD1 4.08Å; Y282-I350 HydrophobicContact CE1-CG1 4.42Å; K305-I350 HydrophobicContact CG-CD1 4.16Å; L308-I350 HydrophobicContact CB-CB 4.3Å; L308-I350 HydrophobicContact CB-CG2 3.48Å; L308-I350 VanDerWaalsContact CB-CG2 3.48Å; A309-I350 HydrophobicContact CB-CD1 3.86Å; A309-I350 HydrophobicContact CB-CG1 4.26Å; A309-I350 HydrophobicContact CB-CG2 3.72Å; Y347-I350 WeakPolarHBondContact O-CG1 3.34Å
351	T	91.5	Very high	88.8	Confident	16 Å²	16	45.7 Å²	45.7	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.8	173.6	-165.4	0	0	0	0	111.6	V279 A280 N281 Y282 F344 W356	V279-T351 HydrophobicContact CG1-CG2 4.36Å; V279-T351 HydrophobicContact CG2-CG2 3.71Å; A280-T351 PolarHBondContact O-N 2.78Å; N281-T351 CarbonylContact C-O 3.6Å; N281-T351 WeakPolarHBondContact CA-O 3.46Å; N281-T351 HydrophobicContact CB-CG2 4.25Å; Y282-T351 WeakPolarHBondContact CD1-O 3.13Å; Y282-T351 WeakPolarHBondContact CE1-O 3.43Å; Y282-T351 PolarHBondContact N-O 3.37Å; F344-T351 HydrophobicContact CD1-CG2 4.32Å; F344-T351 HydrophobicContact CE1-CG2 3.92Å; F344-T351 HydrophobicContact CZ-CG2 4.42Å; T351-W356 HydrophobicContact CG2-CB 4.02Å; T351-W356 HydrophobicContact CG2-CD2 4.42Å; T351-W356 HydrophobicContact CG2-CE3 4.09Å; T351-W356 HydrophobicContact CG2-CG 4.44Å
352	N	93.6	Very high	89.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138	163.9	165	-108.3	0	0	0	108.3	Y282 P283 F284 Y295 S296 S355 W356	Y282-N352 HydrophobicContact CE1-CB 4.37Å; Y282-N352 HydrophobicContact CE2-CB 3.85Å; Y282-N352 WeakPolarHBondContact O-CA 3.38Å; Y282-N352 PolarHBondContact O-ND2 2.61Å; P283-N352 VanDerWaalsContact C-ND2 3.26Å; P283-N352 PolarHBondContact O-ND2 3.43Å; F284-N352 PolarHBondContact N-ND2 3.4Å; F284-N352 VanDerWaalsContact N-ND2 3.18Å; F284-N352 PolarHBondContact O-ND2 3.25Å; Y295-N352 WeakPolarHBondContact CA-OD1 3.24Å; Y295-N352 HydrophobicContact CD2-CB 3.73Å; Y295-N352 HydrophobicContact CE2-CB 3.53Å; S296-N352 PolarHBondContact N-OD1 3.08Å; S296-N352 PolarHBondContact O-ND2 2.81Å; S296-N352 VanDerWaalsContact O-ND2 3.1Å; N352-S355 WeakPolarHBondContact O-CB 3.26Å; N352-S355 PolarHBondContact O-N 2.98Å; N352-S355 PolarHBondContact OD1-N 2.98Å; N352-W356 PolarHBondContact O-N 3.16Å; N352-W356 VanDerWaalsContact O-N 3.14Å
353	G	93.6	Very high	90.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-54.7	-175.1	0	0	0	0	0	114.1	N281 Y282 D285 S355 W356 Y357	N281-G353 WeakPolarHBondContact OD1-CA 3.14Å; N281-G353 PolarHBondContact OD1-N 2.96Å; Y282-G353 PolarHBondContact O-N 3.06Å; D285-G353 WeakPolarHBondContact OD1-CA 3.24Å; G353-S355 PolarHBondContact O-N 2.66Å; G353-W356 WeakPolarHBondContact O-CB 3.43Å; G353-W356 PolarHBondContact O-N 3.12Å; G353-Y357 CarbonylContact O-C 3.58Å; G353-Y357 PolarHBondContact O-N 2.87Å; G353-Y357 VanDerWaalsContact O-O 3.04Å
354	A	95.7	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-30	179.1	0	0	0	0	0	112.9	F284 D285 Q293 E294 W356	F284-A354 WeakPolarHBondContact O-CB 3.28Å; F284-A354 PolarHBondContact O-N 3.1Å; D285-A354 WeakPolarHBondContact O-CA 3.42Å; Q293-A354 WeakPolarHBondContact CA-O 3.3Å; E294-A354 PolarHBondContact N-O 2.85Å; E294-A354 CarbonylContact O-C 3.43Å; E294-A354 WeakPolarHBondContact O-CB 3.13Å; A354-W356 VanDerWaalsContact C-N 3.33Å
355	S	93.1	Very high	91.9	Very high	49 Å²	49	32.7 Å²	32.7	34%	0.343	16%	0.161	S	C	.	.	H	α-helix	trans	-70.9	-26.7	174.6	-171.6	0	0	0	0	113.3	E294 N352 G353	E294-S355 PolarHBondContact O-N 2.85Å; N352-S355 WeakPolarHBondContact O-CB 3.26Å; N352-S355 PolarHBondContact O-N 2.98Å; N352-S355 PolarHBondContact OD1-N 2.98Å; G353-S355 PolarHBondContact O-N 2.66Å
356	W	92.1	Very high	92.7	Very high	19 Å²	19	32.3 Å²	32.3	7%	0.072	16%	0.159	C	C	.	.	H	α-helix	trans	-84.5	-57.2	176	177	21.9	0	0	0	110.4	D277 V279 Q293 F344 T351 N352 G353 A354 E379	D277-W356 HydrophobicContact CB-CH2 4.07Å; D277-W356 HydrophobicContact CB-CZ2 4.06Å; V279-W356 HydrophobicContact CG1-CH2 4.36Å; V279-W356 HydrophobicContact CG1-CZ3 4.15Å; Q293-W356 WeakPolarHBondContact CG-O 3.15Å; Q293-W356 PolarHBondContact NE2-O 3.27Å; F344-W356 HydrophobicContact CE1-CG 4.34Å; F344-W356 HydrophobicContact CE2-CZ2 4.47Å; F344-W356 AromaticContact CZ-CD1 3.7Å; F344-W356 AromaticContact CZ-CD2 3.91Å; F344-W356 HydrophobicContact CZ-CD2 3.91Å; F344-W356 AromaticContact CZ-CE2 3.8Å; F344-W356 AromaticContact CZ-CG 3.86Å; F344-W356 HydrophobicContact CZ-CG 3.86Å; F344-W356 HydrophobicContact CZ-CZ2 4.45Å; F344-W356 AromaticContact CZ-NE1 3.67Å; T351-W356 HydrophobicContact CG2-CB 4.02Å; T351-W356 HydrophobicContact CG2-CD2 4.42Å; T351-W356 HydrophobicContact CG2-CE3 4.09Å; T351-W356 HydrophobicContact CG2-CG 4.44Å; N352-W356 PolarHBondContact O-N 3.16Å; N352-W356 VanDerWaalsContact O-N 3.14Å; G353-W356 WeakPolarHBondContact O-CB 3.43Å; G353-W356 PolarHBondContact O-N 3.12Å; A354-W356 VanDerWaalsContact C-N 3.33Å; W356-E379 HydrophobicContact CH2-CG 4.01Å; W356-E379 HydrophobicContact CZ3-CG 4.03Å
357	Y	92.8	Very high	93.4	Very high	77 Å²	77	27.6 Å²	27.6	30%	0.302	13%	0.13	S	C	.	.			trans	-159.9	131.9	166.4	62.1	-90.6	0	0	0	109.7	D292 G353 F359	D292-Y357 CarbonylContact O-C 3.55Å; D292-Y357 WeakPolarHBondContact O-CA 3.47Å; G353-Y357 CarbonylContact O-C 3.58Å; G353-Y357 PolarHBondContact O-N 2.87Å; G353-Y357 VanDerWaalsContact O-O 3.04Å; Y357-F359 AromaticContact CD2-CD1 3.61Å; Y357-F359 HydrophobicContact CD2-CD1 3.61Å; Y357-F359 HydrophobicContact CD2-CE1 4.18Å; Y357-F359 AromaticContact CE2-CD1 3.2Å; Y357-F359 HydrophobicContact CE2-CD1 3.2Å; Y357-F359 AromaticContact CE2-CE1 3.41Å; Y357-F359 HydrophobicContact CE2-CE1 3.41Å; Y357-F359 VanDerWaalsContact CE2-CE1 3.41Å; Y357-F359 HydrophobicContact CE2-CG 4.17Å; Y357-F359 AromaticContact CZ-CE1 3.92Å
358	S	96.1	Very high	94.2	Very high	27 Å²	27	19.6 Å²	19.6	19%	0.189	10%	0.099	C	C	.	.			trans	-76.4	131	-177.7	-175.4	0	0	0	0	111.9	D285 S287 S291 D292	D285-S358 CarbonylContact O-C 3.38Å; D285-S358 VanDerWaalsContact O-CA 3.31Å; D285-S358 WeakPolarHBondContact O-CA 3.44Å; S287-S358 WeakPolarHBondContact CB-OG 3.27Å; S287-S358 PolarHBondContact N-OG 2.81Å; S287-S358 PolarHBondContact OG-OG 3.47Å; S291-S358 WeakPolarHBondContact O-CB 3.34Å; S291-S358 PolarHBondContact O-OG 2.84Å; D292-S358 PolarHBondContact O-N 3.26Å
359	F	95.7	Very high	94.9	Very high	18 Å²	18	18.5 Å²	18.5	8%	0.079	9%	0.087	C	C	.	.			trans	-152.2	160.5	170.4	67.1	-85.6	0	0	0	112.2	D285 L286 Y357	D285-F359 CarbonylContact C-O 3.29Å; D285-F359 HydrophobicContact CB-CD1 4.09Å; D285-F359 HydrophobicContact CB-CD2 4.44Å; D285-F359 HydrophobicContact CB-CE1 3.61Å; D285-F359 HydrophobicContact CB-CE2 3.98Å; D285-F359 HydrophobicContact CB-CZ 3.56Å; D285-F359 VanDerWaalsContact CG-CZ 3.43Å; D285-F359 PolarHBondContact O-N 2.93Å; D285-F359 VanDerWaalsContact OD2-CZ 3.23Å; D285-F359 WeakPolarHBondContact OD2-CZ 3.4Å; L286-F359 WeakPolarHBondContact CA-O 3.36Å; L286-F359 WeakPolarHBondContact CB-O 3.45Å; L286-F359 PolarHBondContact N-O 2.85Å; Y357-F359 AromaticContact CD2-CD1 3.61Å; Y357-F359 HydrophobicContact CD2-CD1 3.61Å; Y357-F359 HydrophobicContact CD2-CE1 4.18Å; Y357-F359 AromaticContact CE2-CD1 3.2Å; Y357-F359 HydrophobicContact CE2-CD1 3.2Å; Y357-F359 AromaticContact CE2-CE1 3.41Å; Y357-F359 HydrophobicContact CE2-CE1 3.41Å; Y357-F359 VanDerWaalsContact CE2-CE1 3.41Å; Y357-F359 HydrophobicContact CE2-CG 4.17Å; Y357-F359 AromaticContact CZ-CE1 3.92Å
360	R	94.8	Very high	95.3	Very high	155 Å²	155	18.7 Å²	18.7	59%	0.585	9%	0.089	S	C	*	.	S	Bend	trans	-109.2	160.7	179.8	74.2	-173.8	84.2	-160	6.2	111.8	R218 D222 L286 G362	R218-R360 WeakPolarHBondContact CD-O 3.46Å; D222-R360 HydrophobicContact CB-CB 4.45Å; L286-R360 HydrophobicContact CD1-CB 4.11Å; L286-R360 HydrophobicContact CD2-CB 4.43Å; R360-G362 VanDerWaalsContact C-N 3.34Å
361	G	94.7	Very high	95.6	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	9%	0.089	C	C	.	.	S	Bend	trans	70.6	29.3	172.8	0	0	0	0	0	114	N217 R218 A219 F220	N217-G361 CarbonylContact C-O 3.59Å; R218-G361 CarbonylContact C-O 3.54Å; R218-G361 VanDerWaalsContact C-O 3.25Å; R218-G361 VanDerWaalsContact CA-O 3.3Å; R218-G361 WeakPolarHBondContact CA-O 3.48Å; R218-G361 PolarHBondContact N-O 2.79Å; A219-G361 PolarHBondContact N-O 3.04Å; F220-G361 WeakPolarHBondContact CB-O 3.34Å; F220-G361 PolarHBondContact N-O 2.97Å; F220-G361 WeakPolarHBondContact O-CA 3.47Å
362	G	97	Very high	95.9	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.021	9%	0.091	C	C	.	.			trans	-78.1	148	173.6	0	0	0	0	0	112.4	N217 R360 Q364 F366	N217-G362 WeakPolarHBondContact OD1-CA 3.21Å; R360-G362 VanDerWaalsContact C-N 3.34Å; G362-Q364 VanDerWaalsContact C-N 3.28Å; G362-Q364 PolarHBondContact O-N 2.69Å; G362-F366 WeakPolarHBondContact O-CB 3.39Å; G362-F366 PolarHBondContact O-N 2.91Å
363	M	98.3	Very high	96.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-33.4	176.5	-172.6	169.8	67.3	0	0	112.3	V140 M143 M187 N217 F220 V258 N272 F366 N367 E375	V140-M363 HydrophobicContact CB-CE 4.06Å; V140-M363 HydrophobicContact CG1-CE 3.88Å; V140-M363 HydrophobicContact CG2-CE 4.45Å; M143-M363 HydrophobicContact CE-CB 4.14Å; M143-M363 HydrophobicContact CE-CE 4.43Å; M143-M363 HydrophobicContact SD-CE 4.02Å; M187-M363 HydrophobicContact CE-SD 4.42Å; M187-M363 HydrophobicContact SD-CE 4.44Å; M187-M363 HydrophobicContact SD-SD 3.83Å; N217-M363 PolarHBondContact OD1-N 3.45Å; F220-M363 HydrophobicContact CD2-CB 3.76Å; F220-M363 HydrophobicContact CD2-CG 4.32Å; F220-M363 HydrophobicContact CE1-CB 4.38Å; F220-M363 HydrophobicContact CE1-CG 3.91Å; F220-M363 HydrophobicContact CE1-SD 4.45Å; F220-M363 HydrophobicContact CE2-CB 3.49Å; F220-M363 VanDerWaalsContact CE2-CB 3.49Å; F220-M363 HydrophobicContact CE2-CG 3.7Å; F220-M363 HydrophobicContact CE2-SD 3.96Å; F220-M363 HydrophobicContact CG-CB 4.32Å; F220-M363 HydrophobicContact CZ-CB 3.82Å; F220-M363 HydrophobicContact CZ-CG 3.46Å; F220-M363 VanDerWaalsContact CZ-CG 3.46Å; F220-M363 HydrophobicContact CZ-SD 3.59Å; F220-M363 VanDerWaalsContact CZ-SD 3.59Å; V258-M363 HydrophobicContact CG1-SD 3.66Å; N272-M363 HydrophobicContact CB-CE 3.34Å; M363-F366 PolarHBondContact O-N 3.18Å; M363-N367 PolarHBondContact O-N 3Å; M363-N367 PolarHBondContact O-ND2 3.45Å; M363-E375 WeakPolarHBondContact CE-OE1 3.36Å
364	Q	97.9	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-52.1	-176.5	-170.3	-166.5	-108.4	0	0	111.6	N281 P283 D285 G362 N367 E375 T377	N281-Q364 PolarHBondContact ND2-NE2 3.24Å; N281-Q364 PolarHBondContact ND2-OE1 3.17Å; N281-Q364 PolarHBondContact O-OE1 2.83Å; N281-Q364 VanDerWaalsContact O-OE1 3.08Å; P283-Q364 HydrophobicContact CG-CG 3.8Å; P283-Q364 VanDerWaalsContact N-NE2 3.16Å; D285-Q364 PolarHBondContact OD1-NE2 2.99Å; D285-Q364 PolarHBondContact OD2-NE2 2.81Å; D285-Q364 VanDerWaalsContact OD2-NE2 3.13Å; G362-Q364 VanDerWaalsContact C-N 3.28Å; G362-Q364 PolarHBondContact O-N 2.69Å; Q364-N367 PolarHBondContact O-N 3.49Å; Q364-E375 HydrophobicContact CG-CB 4.47Å; Q364-E375 VanDerWaalsContact CG-O 3.29Å; Q364-E375 WeakPolarHBondContact CG-O 3.06Å; Q364-T377 PolarHBondContact OE1-OG1 2.81Å
365	D	97.7	Very high	96.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-74.7	-33.5	-179	-64.2	-8.8	0	0	0	111.4	D224 P283 F284 D285 N367 Y368 L369	D224-D365 WeakPolarHBondContact OD1-CB 3.01Å; D224-D365 WeakPolarHBondContact OD2-CB 3.46Å; P283-D365 VanDerWaalsContact CB-OD1 3.3Å; P283-D365 WeakPolarHBondContact CB-OD1 3.39Å; P283-D365 WeakPolarHBondContact CG-OD1 3.44Å; F284-D365 HydrophobicContact CD1-CB 4.2Å; D285-D365 WeakPolarHBondContact CA-OD2 3.36Å; D285-D365 WeakPolarHBondContact CB-OD2 3.29Å; D285-D365 PolarHBondContact N-OD1 2.94Å; D285-D365 PolarHBondContact N-OD2 3Å; D365-N367 VanDerWaalsContact C-N 3.32Å; D365-N367 PolarHBondContact O-N 2.97Å; D365-Y368 PolarHBondContact O-N 2.89Å; D365-L369 WeakPolarHBondContact O-CB 3.36Å; D365-L369 WeakPolarHBondContact O-CG 3.47Å; D365-L369 PolarHBondContact O-N 3.03Å
366	F	97.4	Very high	96.6	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-56.1	-45	171.8	175.1	-95.5	0	0	0	112.1	F220 P221 L223 L242 I262 G362 M363 Y368 L369 A370 F556	F220-F366 HydrophobicContact CB-CB 4.01Å; F220-F366 HydrophobicContact CB-CG 4.28Å; F220-F366 HydrophobicContact CD1-CB 3.94Å; F220-F366 AromaticContact CD1-CD1 3.54Å; F220-F366 HydrophobicContact CD1-CD1 3.54Å; F220-F366 HydrophobicContact CD1-CD2 4.2Å; F220-F366 HydrophobicContact CD1-CE1 4.09Å; F220-F366 AromaticContact CD1-CG 3.6Å; F220-F366 HydrophobicContact CD1-CG 3.6Å; F220-F366 AromaticContact CE1-CD1 3.91Å; F220-F366 HydrophobicContact CE1-CD1 3.91Å; F220-F366 HydrophobicContact CE1-CE1 4.27Å; F220-F366 HydrophobicContact CE1-CG 4.42Å; F220-F366 HydrophobicContact CG-CB 4.23Å; F220-F366 HydrophobicContact CG-CG 4.32Å; P221-F366 HydrophobicContact CB-CD2 4.21Å; P221-F366 HydrophobicContact CB-CE2 4.27Å; P221-F366 HydrophobicContact CG-CD2 3.94Å; P221-F366 HydrophobicContact CG-CE2 3.7Å; L223-F366 HydrophobicContact CD1-CD2 3.8Å; L223-F366 HydrophobicContact CD1-CE2 4.2Å; L223-F366 HydrophobicContact CG-CD2 4.47Å; L242-F366 HydrophobicContact CD1-CE2 4.19Å; L242-F366 HydrophobicContact CD2-CE2 4.48Å; L242-F366 HydrophobicContact CD2-CZ 4.48Å; I262-F366 HydrophobicContact CB-CE1 4.41Å; I262-F366 HydrophobicContact CD1-CD1 3.9Å; I262-F366 HydrophobicContact CD1-CE1 3.89Å; I262-F366 HydrophobicContact CG2-CE1 4.25Å; G362-F366 WeakPolarHBondContact O-CB 3.39Å; G362-F366 PolarHBondContact O-N 2.91Å; M363-F366 PolarHBondContact O-N 3.18Å; F366-Y368 VanDerWaalsContact C-N 3.33Å; F366-Y368 PolarHBondContact O-N 3.13Å; F366-L369 PolarHBondContact O-N 3.41Å; F366-A370 HydrophobicContact CD1-CB 4.38Å; F366-A370 HydrophobicContact CD2-CB 3.97Å; F366-A370 HydrophobicContact CE1-CB 4.06Å; F366-A370 HydrophobicContact CE2-CB 3.64Å; F366-A370 HydrophobicContact CG-CB 4.34Å; F366-A370 HydrophobicContact CZ-CB 3.69Å; F366-A370 WeakPolarHBondContact O-CB 3.2Å; F366-A370 PolarHBondContact O-N 2.98Å; F366-F556 HydrophobicContact CE2-CE2 4.16Å; F366-F556 HydrophobicContact CE2-CZ 4.18Å; F366-F556 AromaticContact CZ-CE2 3.69Å; F366-F556 HydrophobicContact CZ-CE2 3.69Å; F366-F556 AromaticContact CZ-CZ 3.76Å; F366-F556 HydrophobicContact CZ-CZ 3.76Å
367	N	98	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55.5	-49.3	176.6	-87.9	-92.6	0	0	0	111.8	K138 I262 M363 Q364 D365 S371 C373 E375	K138-N367 PolarHBondContact NZ-OD1 3.35Å; I262-N367 WeakPolarHBondContact CD1-ND2 3.45Å; M363-N367 PolarHBondContact O-N 3Å; M363-N367 PolarHBondContact O-ND2 3.45Å; Q364-N367 PolarHBondContact O-N 3.49Å; D365-N367 VanDerWaalsContact C-N 3.32Å; D365-N367 PolarHBondContact O-N 2.97Å; N367-S371 PolarHBondContact O-N 3.1Å; N367-S371 VanDerWaalsContact O-N 3.15Å; N367-S371 PolarHBondContact O-OG 3.48Å; N367-C373 CarbonylContact C-O 3.42Å; N367-C373 VanDerWaalsContact C-O 3.28Å; N367-C373 HydrophobicContact CB-CB 4.26Å; N367-C373 PolarHBondContact OD1-SG 3.45Å; N367-E375 HydrophobicContact CB-CB 3.68Å; N367-E375 PolarHBondContact ND2-OE1 2.69Å; N367-E375 VanDerWaalsContact ND2-OE1 3.16Å; N367-E375 PolarHBondContact ND2-OE2 3.43Å; N367-E375 VanDerWaalsContact ND2-OE2 3.1Å
368	Y	97.7	Very high	97	Very high	3 Å²	3	12.2 Å²	12.2	1%	0.012	6%	0.057	C	C	.	.	H	α-helix	trans	-70.8	-34.5	-175.6	-176.2	-106.1	0	0	0	112.4	F284 T298 D300 F304 D365 F366 C373 F374 H447	F284-Y368 AromaticContact CE1-CD1 3.84Å; F284-Y368 HydrophobicContact CE1-CD1 3.84Å; F284-Y368 HydrophobicContact CE1-CE1 4.21Å; F284-Y368 HydrophobicContact CZ-CD1 4.04Å; F284-Y368 AromaticContact CZ-CE1 3.92Å; F284-Y368 HydrophobicContact CZ-CE1 3.92Å; T298-Y368 HydrophobicContact CG2-CD1 4.45Å; T298-Y368 HydrophobicContact CG2-CE1 4.04Å; D300-Y368 HydrophobicContact CB-CE2 4.31Å; D300-Y368 PolarHBondContact OD2-OH 3.47Å; F304-Y368 AromaticContact CE2-CD2 3.91Å; F304-Y368 HydrophobicContact CE2-CD2 3.91Å; F304-Y368 AromaticContact CE2-CE2 3.7Å; F304-Y368 HydrophobicContact CE2-CE2 3.7Å; F304-Y368 HydrophobicContact CE2-CG 4.48Å; F304-Y368 AromaticContact CZ-CD2 3.66Å; F304-Y368 HydrophobicContact CZ-CD2 3.66Å; F304-Y368 AromaticContact CZ-CE2 3.93Å; F304-Y368 HydrophobicContact CZ-CE2 3.93Å; F304-Y368 HydrophobicContact CZ-CG 4.22Å; D365-Y368 PolarHBondContact O-N 2.89Å; F366-Y368 VanDerWaalsContact C-N 3.33Å; F366-Y368 PolarHBondContact O-N 3.13Å; Y368-C373 WeakPolarHBondContact CA-O 2.95Å; Y368-C373 PolarHBondContact N-O 3.31Å; Y368-F374 HydrophobicContact CD2-CD1 4.39Å; Y368-F374 HydrophobicContact CD2-CD2 4.41Å; Y368-F374 HydrophobicContact CD2-CE1 4.42Å; Y368-F374 HydrophobicContact CD2-CE2 4.38Å; Y368-F374 HydrophobicContact CD2-CG 4.39Å; Y368-F374 HydrophobicContact CD2-CZ 4.39Å; Y368-F374 HydrophobicContact CE2-CD1 4.19Å; Y368-F374 AromaticContact CE2-CE1 3.8Å; Y368-F374 HydrophobicContact CE2-CE1 3.8Å; Y368-F374 HydrophobicContact CE2-CE2 4.14Å; Y368-F374 AromaticContact CE2-CZ 3.75Å; Y368-F374 HydrophobicContact CE2-CZ 3.75Å; Y368-H447 AromaticContact CD2-NE2 3.79Å; Y368-H447 AromaticContact CE1-CG 3.98Å; Y368-H447 AromaticContact CE1-ND1 3.91Å; Y368-H447 AromaticContact CE2-CD2 3.3Å; Y368-H447 WeakPolarHBondContact CE2-CD2 3.39Å; Y368-H447 AromaticContact CE2-CE1 3.96Å; Y368-H447 AromaticContact CE2-CG 3.84Å; Y368-H447 AromaticContact CE2-NE2 3.46Å; Y368-H447 WeakPolarHBondContact CE2-NE2 3.18Å; Y368-H447 AromaticContact CZ-CD2 3.4Å; Y368-H447 AromaticContact CZ-CG 3.42Å; Y368-H447 VanDerWaalsContact CZ-CG 3.42Å; Y368-H447 AromaticContact CZ-ND1 3.77Å; Y368-H447 AromaticContact CZ-NE2 3.84Å; Y368-H447 PolarHBondContact O-CE1 2.96Å; Y368-H447 VanDerWaalsContact OH-CB 3.25Å; Y368-H447 WeakPolarHBondContact OH-CB 3.32Å; Y368-H447 PolarHBondContact OH-CD2 3.09Å
369	L	97.3	Very high	97	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-92.2	-27.8	-176.3	-63.2	178.9	0	0	0	113.7	L223 D224 L227 H240 L241 F284 D365 F366	L223-L369 VanDerWaalsContact C-CD1 3.49Å; L223-L369 HydrophobicContact CB-CB 3.6Å; L223-L369 HydrophobicContact CB-CD1 3.66Å; L223-L369 HydrophobicContact CB-CG 4.29Å; L223-L369 HydrophobicContact CD1-CB 3.74Å; L223-L369 HydrophobicContact CG-CB 4.32Å; D224-L369 HydrophobicContact CB-CD1 4.44Å; L227-L369 HydrophobicContact CB-CD1 4.47Å; L227-L369 HydrophobicContact CD2-CD1 4.46Å; L227-L369 HydrophobicContact CD2-CD2 3.88Å; H240-L369 CarbonylContact C-O 3.45Å; H240-L369 VanDerWaalsContact CA-O 3.3Å; H240-L369 WeakPolarHBondContact CA-O 3.29Å; H240-L369 PolarHBondContact N-O 3.47Å; L241-L369 HydrophobicContact CD1-CB 4.45Å; L241-L369 HydrophobicContact CD1-CD2 4.26Å; L241-L369 PolarHBondContact N-O 2.82Å; F284-L369 HydrophobicContact CE1-CD1 3.87Å; F284-L369 HydrophobicContact CE1-CD2 3.84Å; F284-L369 HydrophobicContact CE1-CG 3.95Å; F284-L369 HydrophobicContact CZ-CD2 3.99Å; D365-L369 WeakPolarHBondContact O-CB 3.36Å; D365-L369 WeakPolarHBondContact O-CG 3.47Å; D365-L369 PolarHBondContact O-N 3.03Å; F366-L369 PolarHBondContact O-N 3.41Å
370	A	95.8	Very high	97	Very high	5 Å²	5	10.5 Å²	10.5	4%	0.041	5%	0.047	C	C	.	.	H	α-helix	trans	-88.8	-25.9	179	0	0	0	0	0	113.3	L223 L242 L263 F366	L223-A370 HydrophobicContact CD1-CB 3.63Å; L242-A370 HydrophobicContact CB-CB 4.29Å; L263-A370 HydrophobicContact CD2-CB 4.4Å; F366-A370 HydrophobicContact CD1-CB 4.38Å; F366-A370 HydrophobicContact CD2-CB 3.97Å; F366-A370 HydrophobicContact CE1-CB 4.06Å; F366-A370 HydrophobicContact CE2-CB 3.64Å; F366-A370 HydrophobicContact CG-CB 4.34Å; F366-A370 HydrophobicContact CZ-CB 3.69Å; F366-A370 WeakPolarHBondContact O-CB 3.2Å; F366-A370 PolarHBondContact O-N 2.98Å
371	S	96.3	Very high	96.9	Very high	10 Å²	10	3.5 Å²	3.5	7%	0.07	2%	0.022	C	C	.	.	S	Bend	trans	-140	-172	-169.5	80.9	0	0	0	0	112.7	N367 C373	N367-S371 PolarHBondContact O-N 3.1Å; N367-S371 VanDerWaalsContact O-N 3.15Å; N367-S371 PolarHBondContact O-OG 3.48Å; S371-C373 VanDerWaalsContact C-N 3.29Å; S371-C373 VanDerWaalsContact OG-CB 3.3Å; S371-C373 WeakPolarHBondContact OG-CB 3.4Å; S371-C373 PolarHBondContact OG-N 2.93Å
372	N	97.7	Very high	96.8	Very high	24 Å²	24	5.6 Å²	5.6	13%	0.128	4%	0.036	C	C	.	.	S	Bend	trans	-78.9	-7.9	170.4	-72.2	-36.6	0	0	0	113.8	H240 F374 V449 I450	H240-N372 PolarHBondContact CE1-OD1 3.47Å; H240-N372 PolarHBondContact NE2-OD1 3.15Å; N372-F374 WeakPolarHBondContact O-CD2 3.28Å; N372-V449 HydrophobicContact CB-CG1 4.44Å; N372-V449 WeakPolarHBondContact OD1-CA 3.47Å; N372-V449 WeakPolarHBondContact OD1-CB 3.48Å; N372-I450 PolarHBondContact ND2-O 3.02Å; N372-I450 PolarHBondContact OD1-N 3.3Å
373	C	98.2	Very high	96.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.			trans	-80.6	125.5	-165.8	-175.7	0	0	0	0	112.6	F267 S270 N367 Y368 S371 E375	F267-C373 HydrophobicContact CB-CB 3.8Å; F267-C373 VanDerWaalsContact O-CA 3.23Å; F267-C373 WeakPolarHBondContact O-CA 3.32Å; F267-C373 WeakPolarHBondContact O-CB 3.27Å; F267-C373 PolarHBondContact O-N 2.64Å; S270-C373 WeakPolarHBondContact CB-SG 3.17Å; N367-C373 CarbonylContact C-O 3.42Å; N367-C373 VanDerWaalsContact C-O 3.28Å; N367-C373 HydrophobicContact CB-CB 4.26Å; N367-C373 PolarHBondContact OD1-SG 3.45Å; Y368-C373 WeakPolarHBondContact CA-O 2.95Å; Y368-C373 PolarHBondContact N-O 3.31Å; S371-C373 VanDerWaalsContact C-N 3.29Å; S371-C373 VanDerWaalsContact OG-CB 3.3Å; S371-C373 WeakPolarHBondContact OG-CB 3.4Å; S371-C373 PolarHBondContact OG-N 2.93Å; C373-E375 PolarHBondContact O-N 3.47Å
374	F	98	Very high	96.4	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.3	172.3	-74.6	-124.4	0	0	0	108.1	V268 L269 S270 D300 V303 F304 Y368 N372 L460	V268-F374 PolarHBondContact O-N 3.48Å; L269-F374 CarbonylContact C-O 3.58Å; L269-F374 WeakPolarHBondContact CA-O 3.07Å; L269-F374 HydrophobicContact CD1-CB 4.22Å; L269-F374 WeakPolarHBondContact CD1-O 3.1Å; S270-F374 PolarHBondContact N-O 3.28Å; D300-F374 HydrophobicContact CB-CE1 3.62Å; D300-F374 HydrophobicContact CB-CZ 4.17Å; V303-F374 HydrophobicContact CB-CE1 4.4Å; V303-F374 HydrophobicContact CG1-CD1 4.19Å; V303-F374 HydrophobicContact CG1-CE1 4.1Å; F304-F374 HydrophobicContact CE1-CB 4.12Å; F304-F374 HydrophobicContact CE1-CD1 4.05Å; F304-F374 HydrophobicContact CE1-CG 4.48Å; F304-F374 AromaticContact CE2-CD1 4Å; F304-F374 HydrophobicContact CE2-CD1 4Å; F304-F374 HydrophobicContact CE2-CE1 4.3Å; F304-F374 HydrophobicContact CZ-CB 4.25Å; F304-F374 AromaticContact CZ-CD1 3.69Å; F304-F374 HydrophobicContact CZ-CD1 3.69Å; F304-F374 HydrophobicContact CZ-CE1 4.4Å; F304-F374 HydrophobicContact CZ-CG 4.21Å; Y368-F374 HydrophobicContact CD2-CD1 4.39Å; Y368-F374 HydrophobicContact CD2-CD2 4.41Å; Y368-F374 HydrophobicContact CD2-CE1 4.42Å; Y368-F374 HydrophobicContact CD2-CE2 4.38Å; Y368-F374 HydrophobicContact CD2-CG 4.39Å; Y368-F374 HydrophobicContact CD2-CZ 4.39Å; Y368-F374 HydrophobicContact CE2-CD1 4.19Å; Y368-F374 AromaticContact CE2-CE1 3.8Å; Y368-F374 HydrophobicContact CE2-CE1 3.8Å; Y368-F374 HydrophobicContact CE2-CE2 4.14Å; Y368-F374 AromaticContact CE2-CZ 3.75Å; Y368-F374 HydrophobicContact CE2-CZ 3.75Å; N372-F374 WeakPolarHBondContact O-CD2 3.28Å; F374-L460 HydrophobicContact CB-CD1 3.92Å; F374-L460 HydrophobicContact CD1-CD1 4.23Å; F374-L460 HydrophobicContact CD2-CD1 4.18Å; F374-L460 HydrophobicContact CG-CD1 3.86Å
375	E	98	Very high	96.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.4	176.9	-169.4	163.8	102.4	0	0	112	K138 S270 N272 F304 M363 Q364 N367 C373	K138-E375 IonicContact NZ-OE2 2.86Å; K138-E375 PolarHBondContact NZ-OE2 3.14Å; S270-E375 VanDerWaalsContact CB-OE2 3.27Å; S270-E375 WeakPolarHBondContact CB-OE2 3.49Å; S270-E375 WeakPolarHBondContact O-CA 3.13Å; S270-E375 PolarHBondContact OG-OE2 3.36Å; N272-E375 PolarHBondContact ND2-OE1 3Å; F304-E375 WeakPolarHBondContact CE1-O 3.2Å; M363-E375 WeakPolarHBondContact CE-OE1 3.36Å; Q364-E375 HydrophobicContact CG-CB 4.47Å; Q364-E375 VanDerWaalsContact CG-O 3.29Å; Q364-E375 WeakPolarHBondContact CG-O 3.06Å; N367-E375 HydrophobicContact CB-CB 3.68Å; N367-E375 PolarHBondContact ND2-OE1 2.69Å; N367-E375 VanDerWaalsContact ND2-OE1 3.16Å; N367-E375 PolarHBondContact ND2-OE2 3.43Å; N367-E375 VanDerWaalsContact ND2-OE2 3.1Å; C373-E375 PolarHBondContact O-N 3.47Å
376	V	96.9	Very high	95.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.9	170.4	-60.9	0	0	0	0	109.8	S270 A271 N272 N281 F304 L308 L378 F405	S270-V376 PolarHBondContact O-N 2.8Å; A271-V376 CarbonylContact C-O 3.54Å; A271-V376 WeakPolarHBondContact CA-O 2.81Å; A271-V376 HydrophobicContact CB-CG2 3.74Å; N272-V376 PolarHBondContact N-O 2.87Å; N272-V376 PolarHBondContact ND2-O 2.87Å; N281-V376 WeakPolarHBondContact O-CB 3.28Å; F304-V376 HydrophobicContact CD1-CG1 3.76Å; F304-V376 HydrophobicContact CE1-CG1 4.16Å; L308-V376 HydrophobicContact CD1-CB 4.36Å; L308-V376 HydrophobicContact CD1-CG1 4.11Å; L308-V376 HydrophobicContact CD2-CB 4.01Å; L308-V376 HydrophobicContact CD2-CG1 4Å; L308-V376 HydrophobicContact CD2-CG2 3.77Å; L308-V376 HydrophobicContact CG-CG1 4.16Å; V376-L378 HydrophobicContact CG2-CD2 4.06Å; V376-L378 HydrophobicContact CG2-CG 4.26Å; V376-F405 HydrophobicContact CG2-CE1 4.39Å; V376-F405 HydrophobicContact CG2-CE2 3.73Å; V376-F405 HydrophobicContact CG2-CZ 3.45Å; V376-F405 VanDerWaalsContact CG2-CZ 3.45Å
377	T	97.2	Very high	95.7	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.2	176.5	-62.8	0	0	0	0	109.2	N272 H274 N281 Q364	N272-T377 PolarHBondContact ND2-OG1 2.87Å; N272-T377 CarbonylContact O-C 3.48Å; N272-T377 WeakPolarHBondContact O-CA 3.3Å; N272-T377 WeakPolarHBondContact OD1-CA 3.32Å; N272-T377 WeakPolarHBondContact OD1-CB 3.36Å; N272-T377 VanDerWaalsContact OD1-CG2 3.31Å; N272-T377 WeakPolarHBondContact OD1-CG2 2.99Å; N272-T377 PolarHBondContact OD1-OG1 2.88Å; H274-T377 HydrophobicContact CB-CG2 4.31Å; N281-T377 WeakPolarHBondContact CA-O 3.43Å; N281-T377 HydrophobicContact CB-CG2 4.31Å; N281-T377 WeakPolarHBondContact CB-O 3.38Å; N281-T377 PolarHBondContact N-O 2.89Å; N281-T377 PolarHBondContact O-N 2.95Å; Q364-T377 PolarHBondContact OE1-OG1 2.81Å
378	L	97.2	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.1	-175.5	-60.9	177.9	0	0	0	110.1	Y139 A271 N272 L273 H274 A280 L308 Y322 V376 L380	Y139-L378 HydrophobicContact CE1-CD1 4.23Å; A271-L378 HydrophobicContact CB-CD1 3.59Å; A271-L378 HydrophobicContact CB-CG 4Å; N272-L378 PolarHBondContact O-N 2.95Å; L273-L378 HydrophobicContact CD2-CB 3.98Å; L273-L378 HydrophobicContact CD2-CD1 3.82Å; H274-L378 PolarHBondContact N-O 2.95Å; A280-L378 HydrophobicContact CB-CD2 3.63Å; L308-L378 HydrophobicContact CD2-CD2 4.05Å; Y322-L378 HydrophobicContact CD1-CD1 4.22Å; Y322-L378 HydrophobicContact CD1-CD2 3.88Å; Y322-L378 HydrophobicContact CD2-CD1 3.57Å; Y322-L378 HydrophobicContact CD2-CD2 4.32Å; Y322-L378 HydrophobicContact CE1-CD1 4.11Å; Y322-L378 HydrophobicContact CE1-CD2 4.34Å; Y322-L378 HydrophobicContact CE2-CD1 3.44Å; Y322-L378 VanDerWaalsContact CE2-CD1 3.44Å; Y322-L378 HydrophobicContact CG-CD1 3.95Å; Y322-L378 HydrophobicContact CG-CD2 3.86Å; V376-L378 HydrophobicContact CG2-CD2 4.06Å; V376-L378 HydrophobicContact CG2-CG 4.26Å; L378-L380 HydrophobicContact CB-CD2 3.98Å; L378-L380 WeakPolarHBondContact O-CG 3.39Å
379	E	95.9	Very high	95.4	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.8	174.1	-64.5	-71.6	168.1	0	0	109.5	H274 E275 G276 D277 L278 V279 M329 W356	H274-E379 VanDerWaalsContact CB-CD 3.5Å; H274-E379 HydrophobicContact CB-CG 4.47Å; H274-E379 WeakPolarHBondContact CB-OE1 3.36Å; H274-E379 IonicContact CG-OE1 3.91Å; H274-E379 CarbonylContact O-C 3.39Å; H274-E379 WeakPolarHBondContact O-CA 3.48Å; E275-E379 WeakPolarHBondContact CA-OE2 3.46Å; E275-E379 PolarHBondContact N-OE2 3.42Å; G276-E379 PolarHBondContact N-OE2 2.87Å; D277-E379 HydrophobicContact CB-CB 4.4Å; D277-E379 CarbonylContact O-C 3.07Å; D277-E379 WeakPolarHBondContact O-CB 3.19Å; L278-E379 WeakPolarHBondContact CA-O 3.47Å; V279-E379 HydrophobicContact CG1-CB 3.87Å; V279-E379 HydrophobicContact CG1-CG 3.85Å; V279-E379 PolarHBondContact N-O 3.05Å; V279-E379 VanDerWaalsContact N-O 3.12Å; V279-E379 WeakPolarHBondContact O-CA 3.4Å; V279-E379 VanDerWaalsContact O-CB 3.29Å; V279-E379 WeakPolarHBondContact O-CB 3.48Å; V279-E379 PolarHBondContact O-N 3.45Å; M329-E379 VanDerWaalsContact CE-O 3.31Å; M329-E379 WeakPolarHBondContact CE-O 2.97Å; W356-E379 HydrophobicContact CH2-CG 4.01Å; W356-E379 HydrophobicContact CZ3-CG 4.03Å
380	L	95.3	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-5	-164.3	-54.3	-178	0	0	0	115	I149 L153 L273 H274 E275 Y322 L378	I149-L380 HydrophobicContact CG2-CB 4.32Å; I149-L380 HydrophobicContact CG2-CD1 4.25Å; L153-L380 HydrophobicContact CD1-CD1 3.56Å; L273-L380 HydrophobicContact CB-CD1 4.07Å; L273-L380 HydrophobicContact CD2-CD1 3.79Å; L273-L380 HydrophobicContact CD2-CD2 3.92Å; L273-L380 HydrophobicContact CD2-CG 4.25Å; L273-L380 HydrophobicContact CG-CD1 4.46Å; H274-L380 WeakPolarHBondContact O-CG 3.31Å; H274-L380 PolarHBondContact O-N 2.82Å; E275-L380 HydrophobicContact CG-CB 4.23Å; Y322-L380 HydrophobicContact CE1-CD2 4.12Å; Y322-L380 VanDerWaalsContact OH-CD2 3.29Å; Y322-L380 WeakPolarHBondContact OH-CD2 3.47Å; L378-L380 HydrophobicContact CB-CD2 3.98Å; L378-L380 WeakPolarHBondContact O-CG 3.39Å
381	G	93	Very high	95.3	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	15%	0.154	C	C	.	.			trans	169.5	152.9	-178	0	0	0	0	0	113.4	G276 D277 E383	G276-G381 PolarHBondContact N-O 2.65Å; D277-G381 CarbonylContact O-C 3.47Å; D277-G381 VanDerWaalsContact O-CA 3.28Å; D277-G381 WeakPolarHBondContact O-CA 3.47Å; D277-G381 PolarHBondContact O-N 3.33Å; G381-E383 PolarHBondContact O-N 2.64Å
382	C	92.4	Very high	95.3	Very high	47 Å²	47	30.6 Å²	30.6	32%	0.318	17%	0.172	S	C	.	.	S	Bend	trans	-66.9	-36.4	-178.4	-45	0	0	0	0	113.4	C337	C337-C382 WeakPolarHBondContact CA-SG 3.25Å; C337-C382 HydrophobicContact CB-CB 3.65Å; C337-C382 WeakPolarHBondContact CB-SG 3.49Å; C337-C382 VanDerWaalsContact SG-CA 3.53Å; C337-C382 WeakPolarHBondContact SG-CB 3.46Å; C337-C382 CovalentContact SG-SG 2.03Å; C337-C382 PolarHBondContact SG-SG 3.07Å
383	E	92.4	Very high	95.2	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	19%	0.19	S	C	.	.	S	Bend	trans	-88	122.2	175.9	-70.9	-165.7	-131.7	0	0	109.1	K203 G381 M385 P386	K203-E383 IonicContact NZ-OE2 3.21Å; K203-E383 PolarHBondContact NZ-OE2 2.85Å; G381-E383 PolarHBondContact O-N 2.64Å; E383-M385 PolarHBondContact O-N 3.14Å; E383-P386 HydrophobicContact CB-CB 4.09Å; E383-P386 WeakPolarHBondContact O-CD 3.39Å
384	K	93.3	Very high	95.1	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-66.1	-36.9	-178	-58.4	-170.2	168.1	-154.4	0	114	N146 E147 A148 W204 E275	N146-K384 CarbonylContact O-C 3.57Å; N146-K384 VanDerWaalsContact O-C 3.29Å; N146-K384 VanDerWaalsContact O-CB 3.31Å; N146-K384 WeakPolarHBondContact O-CB 3.06Å; N146-K384 VanDerWaalsContact O-O 3.14Å; E147-K384 HydrophobicContact CG-CB 4.06Å; E147-K384 HydrophobicContact CG-CD 3.79Å; E147-K384 HydrophobicContact CG-CG 4.03Å; E147-K384 IonicContact OE1-NZ 3.49Å; E147-K384 PolarHBondContact OE1-NZ 2.9Å; A148-K384 PolarHBondContact N-O 2.77Å; W204-K384 HydrophobicContact CD2-CD 4.41Å; W204-K384 HydrophobicContact CE3-CD 4.03Å; W204-K384 HydrophobicContact CE3-CG 4.27Å; W204-K384 HydrophobicContact CZ3-CD 4.22Å; W204-K384 HydrophobicContact CZ3-CG 4.13Å; E275-K384 HydrophobicContact CB-CB 4.33Å; E275-K384 HydrophobicContact CB-CG 4.33Å; E275-K384 WeakPolarHBondContact O-CE 3.48Å
385	M	93.8	Very high	95.1	Very high	34 Å²	34	36.5 Å²	36.5	17%	0.167	20%	0.197	C	C	.	.	S	Bend	trans	-136.1	77.7	177.1	-164.4	177.5	-153.9	0	0	109.8	Y83 A148 F192 F196 R199 E383	Y83-M385 HydrophobicContact CD1-CE 4.01Å; Y83-M385 HydrophobicContact CD2-CE 4.13Å; Y83-M385 HydrophobicContact CE1-CE 4.07Å; Y83-M385 HydrophobicContact CE1-CG 4.16Å; Y83-M385 HydrophobicContact CE2-CE 4.15Å; Y83-M385 HydrophobicContact CE2-CG 4.05Å; Y83-M385 HydrophobicContact CG-CE 4.04Å; Y83-M385 WeakPolarHBondContact OH-CG 3.36Å; A148-M385 HydrophobicContact CB-CB 4.41Å; A148-M385 HydrophobicContact CB-CE 4.11Å; A148-M385 HydrophobicContact CB-CG 3.96Å; F192-M385 HydrophobicContact CE2-CE 4.09Å; F192-M385 HydrophobicContact CZ-CE 4.37Å; F196-M385 HydrophobicContact CD2-CE 4.26Å; R199-M385 HydrophobicContact CG-SD 4.14Å; R199-M385 VanDerWaalsContact NH2-CE 3.34Å; E383-M385 PolarHBondContact O-N 3.14Å
386	P	93.2	Very high	95.1	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.039	22%	0.219	C	C	.	.			trans	-69.6	167.4	-178.5	31.7	-37.7	0	0	0	111.9	Y83 I149 E383 T390	Y83-P386 VanDerWaalsContact CE2-O 3.31Å; Y83-P386 WeakPolarHBondContact CE2-O 3.3Å; Y83-P386 WeakPolarHBondContact OH-CD 3.3Å; Y83-P386 PolarHBondContact OH-O 3.18Å; I149-P386 HydrophobicContact CD1-CG 3.76Å; I149-P386 HydrophobicContact CG1-CG 3.87Å; E383-P386 HydrophobicContact CB-CB 4.09Å; E383-P386 WeakPolarHBondContact O-CD 3.39Å; P386-T390 WeakPolarHBondContact CB-OG1 3.37Å
387	P	92.7	Very high	95	Very high	70 Å²	70	41.8 Å²	41.8	46%	0.455	23%	0.225	S	C	.	.			trans	-58	145.7	174.8	-22.9	34.1	0	0	0	112.8	S389 T390	P387-S389 PolarHBondContact O-N 2.67Å; P387-T390 PolarHBondContact O-N 3.36Å; P387-T390 PolarHBondContact O-OG1 3.47Å
388	E	94.2	Very high	95	Very high	72 Å²	72	41.6 Å²	41.6	34%	0.336	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.6	-30.5	-178.2	-71.3	176.8	174.9	0	0	113.4	Y83 R199 T390 L391	Y83-E388 HydrophobicContact CD2-CG 3.4Å; Y83-E388 WeakPolarHBondContact CD2-OE1 3.42Å; Y83-E388 HydrophobicContact CE2-CG 3.81Å; Y83-E388 HydrophobicContact CG-CG 4.39Å; Y83-E388 PolarHBondContact N-OE1 3.14Å; R199-E388 IonicContact CZ-OE1 2.74Å; R199-E388 IonicContact NH1-OE1 3.3Å; R199-E388 PolarHBondContact NH1-OE1 3.24Å; R199-E388 IonicContact NH2-OE1 3.98Å; E388-T390 PolarHBondContact O-N 3.02Å; E388-T390 VanDerWaalsContact O-N 3.09Å; E388-L391 HydrophobicContact CB-CD1 4.2Å; E388-L391 HydrophobicContact CG-CD1 4.14Å; E388-L391 WeakPolarHBondContact O-CB 3.02Å; E388-L391 WeakPolarHBondContact O-CG 3.01Å; E388-L391 PolarHBondContact O-N 3.41Å; E388-L391 VanDerWaalsContact O-N 3.08Å
389	S	94.2	Very high	95	Very high	108 Å²	108	44.8 Å²	44.8	76%	0.755	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-62.2	-15.1	176.9	57.5	0	0	0	0	114.7	P387	P387-S389 PolarHBondContact O-N 2.67Å
390	T	94.8	Very high	94.9	Very high	41 Å²	41	48 Å²	48	25%	0.252	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-97.7	-10.3	176.5	72.2	0	0	0	0	113.2	P386 P387 E388 E392 K393 H394	P386-T390 WeakPolarHBondContact CB-OG1 3.37Å; P387-T390 PolarHBondContact O-N 3.36Å; P387-T390 PolarHBondContact O-OG1 3.47Å; E388-T390 PolarHBondContact O-N 3.02Å; E388-T390 VanDerWaalsContact O-N 3.09Å; T390-E392 VanDerWaalsContact C-N 3.29Å; T390-E392 PolarHBondContact O-N 2.95Å; T390-K393 WeakPolarHBondContact O-CA 3.14Å; T390-K393 VanDerWaalsContact O-CB 3.28Å; T390-K393 WeakPolarHBondContact O-CB 3.36Å; T390-K393 PolarHBondContact O-N 3.41Å; T390-H394 PolarHBondContact O-CD2 3.24Å; T390-H394 PolarHBondContact O-N 3.18Å; T390-H394 PolarHBondContact OG1-CD2 2.73Å; T390-H394 PolarHBondContact OG1-NE2 2.94Å
391	L	96	Very high	94.9	Very high	10 Å²	10	48 Å²	48	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-37.1	-175.1	-68.6	175.1	0	0	0	112.5	Y81 Y83 E152 E388 K393 H394 W395	Y81-L391 HydrophobicContact CD1-CB 4.26Å; Y83-L391 HydrophobicContact CD1-CD1 4.47Å; Y83-L391 HydrophobicContact CD2-CD1 4.32Å; Y83-L391 HydrophobicContact CE1-CD1 4.45Å; Y83-L391 HydrophobicContact CE1-CD2 4.04Å; Y83-L391 HydrophobicContact CE2-CD1 4.34Å; Y83-L391 HydrophobicContact CG-CD1 4.4Å; E152-L391 HydrophobicContact CG-CD2 4.5Å; E388-L391 HydrophobicContact CB-CD1 4.2Å; E388-L391 HydrophobicContact CG-CD1 4.14Å; E388-L391 WeakPolarHBondContact O-CB 3.02Å; E388-L391 WeakPolarHBondContact O-CG 3.01Å; E388-L391 PolarHBondContact O-N 3.41Å; E388-L391 VanDerWaalsContact O-N 3.08Å; L391-K393 VanDerWaalsContact C-N 3.3Å; L391-K393 PolarHBondContact O-N 2.66Å; L391-H394 PolarHBondContact O-N 3.2Å; L391-W395 PolarHBondContact O-N 3.06Å
392	E	96.4	Very high	95.1	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	25%	0.25	S	C	.	.	H	α-helix	trans	-59.2	-43.3	173.3	-177.9	171.1	-161.2	0	0	111.6	Y81 T390 W395 L396	Y81-E392 HydrophobicContact CD1-CB 4.08Å; Y81-E392 HydrophobicContact CD2-CB 3.53Å; Y81-E392 HydrophobicContact CD2-CG 3.9Å; Y81-E392 HydrophobicContact CE1-CB 4.16Å; Y81-E392 HydrophobicContact CE1-CG 4.43Å; Y81-E392 HydrophobicContact CE2-CB 3.61Å; Y81-E392 HydrophobicContact CE2-CG 3.46Å; Y81-E392 VanDerWaalsContact CE2-CG 3.46Å; Y81-E392 HydrophobicContact CG-CB 3.77Å; T390-E392 VanDerWaalsContact C-N 3.29Å; T390-E392 PolarHBondContact O-N 2.95Å; E392-W395 WeakPolarHBondContact O-CB 3.35Å; E392-W395 PolarHBondContact O-N 3.29Å; E392-L396 HydrophobicContact CG-CD1 4.13Å; E392-L396 HydrophobicContact CG-CG 4.48Å; E392-L396 WeakPolarHBondContact O-CG 3.35Å; E392-L396 PolarHBondContact O-N 3.3Å
393	K	96.3	Very high	95.2	Very high	114 Å²	114	46.6 Å²	46.6	50%	0.496	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-46.1	177.8	-167.5	-157.9	-179.2	-48.9	0	110.8	T390 L391 W395 L396 D397	T390-K393 WeakPolarHBondContact O-CA 3.14Å; T390-K393 VanDerWaalsContact O-CB 3.28Å; T390-K393 WeakPolarHBondContact O-CB 3.36Å; T390-K393 PolarHBondContact O-N 3.41Å; L391-K393 VanDerWaalsContact C-N 3.3Å; L391-K393 PolarHBondContact O-N 2.66Å; K393-W395 VanDerWaalsContact C-N 3.29Å; K393-W395 PolarHBondContact O-N 2.94Å; K393-L396 PolarHBondContact O-N 2.87Å; K393-D397 IonicContact NZ-OD1 2.98Å; K393-D397 PolarHBondContact NZ-OD1 3.32Å; K393-D397 IonicContact NZ-OD2 2.79Å; K393-D397 PolarHBondContact NZ-OD2 3.25Å; K393-D397 WeakPolarHBondContact O-CB 3.44Å; K393-D397 PolarHBondContact O-N 3.2Å
394	H	96.9	Very high	95.3	Very high	29 Å²	29	42.4 Å²	42.4	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-42	176.5	-72.1	-71.7	0	0	0	111.5	I149 T390 L391 D397 N398	I149-H394 HydrophobicContact CG2-CB 3.86Å; T390-H394 PolarHBondContact O-CD2 3.24Å; T390-H394 PolarHBondContact O-N 3.18Å; T390-H394 PolarHBondContact OG1-CD2 2.73Å; T390-H394 PolarHBondContact OG1-NE2 2.94Å; L391-H394 PolarHBondContact O-N 3.2Å; H394-D397 PolarHBondContact O-N 3.4Å; H394-N398 WeakPolarHBondContact O-CB 3.3Å; H394-N398 PolarHBondContact O-N 3.21Å; H394-N398 VanDerWaalsContact O-N 3.09Å; H394-N398 PolarHBondContact O-ND2 3.27Å
395	W	97.4	Very high	95.4	Very high	7 Å²	7	42 Å²	42	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-50.4	173.5	168.7	-108.1	0	0	0	112.3	Y81 L153 R156 L157 Y160 L391 E392 K393 D397 N398 R399 L402	Y81-W395 HydrophobicContact CE1-CB 3.85Å; Y81-W395 HydrophobicContact CE1-CG 4.13Å; L153-W395 VanDerWaalsContact CD2-CA 3.47Å; L153-W395 HydrophobicContact CD2-CB 4.11Å; L153-W395 HydrophobicContact CD2-CE3 3.99Å; R156-W395 HydrophobicContact CB-CD2 4.14Å; R156-W395 HydrophobicContact CB-CE3 3.77Å; R156-W395 HydrophobicContact CB-CZ3 4Å; R156-W395 HydrophobicContact CG-CD2 3.39Å; R156-W395 HydrophobicContact CG-CE3 3.53Å; R156-W395 HydrophobicContact CG-CG 3.89Å; R156-W395 HydrophobicContact CG-CH2 4.09Å; R156-W395 HydrophobicContact CG-CZ2 3.96Å; R156-W395 HydrophobicContact CG-CZ3 3.89Å; L157-W395 HydrophobicContact CB-CH2 4.4Å; L157-W395 HydrophobicContact CB-CZ3 4.1Å; L157-W395 HydrophobicContact CD1-CH2 4.27Å; Y160-W395 HydrophobicContact CD1-CH2 4.45Å; Y160-W395 HydrophobicContact CD2-CH2 4.45Å; Y160-W395 AromaticContact CD2-CZ2 3.79Å; Y160-W395 HydrophobicContact CD2-CZ2 3.79Å; Y160-W395 AromaticContact CG-CH2 3.97Å; Y160-W395 HydrophobicContact CG-CH2 3.97Å; Y160-W395 AromaticContact CG-CZ2 3.77Å; Y160-W395 HydrophobicContact CG-CZ2 3.77Å; L391-W395 PolarHBondContact O-N 3.06Å; E392-W395 WeakPolarHBondContact O-CB 3.35Å; E392-W395 PolarHBondContact O-N 3.29Å; K393-W395 VanDerWaalsContact C-N 3.29Å; K393-W395 PolarHBondContact O-N 2.94Å; W395-D397 VanDerWaalsContact C-N 3.31Å; W395-D397 PolarHBondContact O-N 3.09Å; W395-N398 PolarHBondContact O-N 3.41Å; W395-R399 HydrophobicContact CD2-CB 4.23Å; W395-R399 HydrophobicContact CE3-CB 4.42Å; W395-R399 HydrophobicContact CH2-CB 4.16Å; W395-R399 HydrophobicContact CH2-CG 3.76Å; W395-R399 HydrophobicContact CZ2-CB 3.95Å; W395-R399 HydrophobicContact CZ2-CG 3.49Å; W395-R399 VanDerWaalsContact CZ2-CG 3.49Å; W395-R399 HydrophobicContact CZ3-CB 4.38Å; W395-R399 HydrophobicContact CZ3-CG 4.45Å; W395-R399 VanDerWaalsContact O-CB 3.27Å; W395-R399 WeakPolarHBondContact O-CB 3.23Å; W395-R399 PolarHBondContact O-N 3.35Å; W395-L402 HydrophobicContact CZ3-CD1 4.48Å
396	L	97.1	Very high	95.5	Very high	89 Å²	89	40.3 Å²	40.3	47%	0.466	21%	0.212	S	C	.	.	H	α-helix	trans	-63.3	-37.1	-179.3	-67.9	174.4	0	0	0	112.5	E392 K393 N398	E392-L396 HydrophobicContact CG-CD1 4.13Å; E392-L396 HydrophobicContact CG-CG 4.48Å; E392-L396 WeakPolarHBondContact O-CG 3.35Å; E392-L396 PolarHBondContact O-N 3.3Å; K393-L396 PolarHBondContact O-N 2.87Å; L396-N398 VanDerWaalsContact C-N 3.35Å
397	D	96.2	Very high	95.5	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-31.9	178.5	-69.7	-10.8	0	0	0	112.7	H326 A327 K393 H394 W395	H326-D397 WeakPolarHBondContact CA-O 3.35Å; H326-D397 PolarHBondContact CD2-O 2.81Å; H326-D397 VanDerWaalsContact CD2-O 3.32Å; A327-D397 HydrophobicContact CB-CB 3.87Å; A327-D397 WeakPolarHBondContact CB-OD1 3.19Å; A327-D397 PolarHBondContact N-O 3.11Å; A327-D397 VanDerWaalsContact N-O 3.11Å; K393-D397 IonicContact NZ-OD1 2.98Å; K393-D397 PolarHBondContact NZ-OD1 3.32Å; K393-D397 IonicContact NZ-OD2 2.79Å; K393-D397 PolarHBondContact NZ-OD2 3.25Å; K393-D397 WeakPolarHBondContact O-CB 3.44Å; K393-D397 PolarHBondContact O-N 3.2Å; H394-D397 PolarHBondContact O-N 3.4Å; W395-D397 VanDerWaalsContact C-N 3.31Å; W395-D397 PolarHBondContact O-N 3.09Å
398	N	96.9	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-103.2	-24.8	-172.2	-73.8	-83.2	0	0	0	114.7	L153 Y322 H326 H394 W395 L396 D400 A401 L402	L153-N398 HydrophobicContact CD1-CB 3.8Å; L153-N398 HydrophobicContact CD2-CB 4.34Å; Y322-N398 PolarHBondContact OH-OD1 2.73Å; H326-N398 VanDerWaalsContact CD2-CG 3.44Å; H326-N398 PolarHBondContact CD2-OD1 3.23Å; H326-N398 PolarHBondContact NE2-ND2 2.87Å; H326-N398 PolarHBondContact NE2-OD1 3.44Å; H394-N398 WeakPolarHBondContact O-CB 3.3Å; H394-N398 PolarHBondContact O-N 3.21Å; H394-N398 VanDerWaalsContact O-N 3.09Å; H394-N398 PolarHBondContact O-ND2 3.27Å; W395-N398 PolarHBondContact O-N 3.41Å; L396-N398 VanDerWaalsContact C-N 3.35Å; N398-D400 PolarHBondContact O-N 3.47Å; N398-A401 WeakPolarHBondContact O-CA 3.49Å; N398-A401 WeakPolarHBondContact O-CB 3.42Å; N398-A401 PolarHBondContact O-N 3.09Å; N398-L402 HydrophobicContact CB-CD1 4.14Å; N398-L402 HydrophobicContact CB-CG 4.45Å; N398-L402 WeakPolarHBondContact O-CG 3.38Å; N398-L402 PolarHBondContact O-N 3.11Å
399	R	96.6	Very high	95.7	Very high	68 Å²	68	33.9 Å²	33.9	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-50.5	-52.6	-171.4	177.8	-166.2	72.7	-156.2	-6.6	112.6	W395 A401 L402 L403	W395-R399 HydrophobicContact CD2-CB 4.23Å; W395-R399 HydrophobicContact CE3-CB 4.42Å; W395-R399 HydrophobicContact CH2-CB 4.16Å; W395-R399 HydrophobicContact CH2-CG 3.76Å; W395-R399 HydrophobicContact CZ2-CB 3.95Å; W395-R399 HydrophobicContact CZ2-CG 3.49Å; W395-R399 VanDerWaalsContact CZ2-CG 3.49Å; W395-R399 HydrophobicContact CZ3-CB 4.38Å; W395-R399 HydrophobicContact CZ3-CG 4.45Å; W395-R399 VanDerWaalsContact O-CB 3.27Å; W395-R399 WeakPolarHBondContact O-CB 3.23Å; W395-R399 PolarHBondContact O-N 3.35Å; R399-A401 VanDerWaalsContact C-N 3.28Å; R399-A401 PolarHBondContact O-N 3.23Å; R399-L402 PolarHBondContact O-N 3.33Å; R399-L403 HydrophobicContact CG-CD1 4.1Å; R399-L403 WeakPolarHBondContact O-CG 3.3Å; R399-L403 PolarHBondContact O-N 3.32Å; R399-L403 VanDerWaalsContact O-N 3.1Å
400	D	94.4	Very high	95.8	Very high	77 Å²	77	29 Å²	29	41%	0.412	14%	0.14	S	C	.	.	H	α-helix	trans	-69.5	-31.5	-175.8	-66.9	-6.3	0	0	0	110.8	N398 N404	N398-D400 PolarHBondContact O-N 3.47Å; D400-N404 WeakPolarHBondContact O-CB 3.1Å; D400-N404 PolarHBondContact O-N 2.64Å
401	A	94.8	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-46.7	174.4	0	0	0	0	0	112.5	Y322 K325 H326 N398 R399 N404 F405	Y322-A401 HydrophobicContact CD1-CB 4.11Å; Y322-A401 HydrophobicContact CD2-CB 3.8Å; Y322-A401 HydrophobicContact CE1-CB 4.1Å; Y322-A401 HydrophobicContact CE2-CB 3.79Å; Y322-A401 HydrophobicContact CG-CB 3.98Å; Y322-A401 WeakPolarHBondContact O-CB 3.37Å; K325-A401 HydrophobicContact CB-CB 3.88Å; H326-A401 HydrophobicContact CB-CB 4.38Å; N398-A401 WeakPolarHBondContact O-CA 3.49Å; N398-A401 WeakPolarHBondContact O-CB 3.42Å; N398-A401 PolarHBondContact O-N 3.09Å; R399-A401 VanDerWaalsContact C-N 3.28Å; R399-A401 PolarHBondContact O-N 3.23Å; A401-N404 PolarHBondContact O-N 2.88Å; A401-F405 WeakPolarHBondContact O-CB 3.47Å; A401-F405 PolarHBondContact O-N 3Å
402	L	96.6	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-49.5	177	-70.8	164.1	0	0	0	111.4	Y139 L153 L157 L273 Y322 W395 N398 R399 N404 F405 M406	Y139-L402 HydrophobicContact CD2-CD2 4.49Å; Y139-L402 HydrophobicContact CE1-CD2 3.94Å; Y139-L402 HydrophobicContact CE2-CB 4.4Å; Y139-L402 HydrophobicContact CE2-CD2 3.83Å; Y139-L402 WeakPolarHBondContact OH-CA 3.49Å; Y139-L402 PolarHBondContact OH-O 3.34Å; L153-L402 HydrophobicContact CB-CD1 4.32Å; L153-L402 HydrophobicContact CD1-CD1 4.38Å; L157-L402 HydrophobicContact CD2-CB 4.47Å; L273-L402 HydrophobicContact CD2-CD2 4.17Å; Y322-L402 HydrophobicContact CE2-CD2 3.83Å; Y322-L402 HydrophobicContact CE2-CG 4.02Å; W395-L402 HydrophobicContact CZ3-CD1 4.48Å; N398-L402 HydrophobicContact CB-CD1 4.14Å; N398-L402 HydrophobicContact CB-CG 4.45Å; N398-L402 WeakPolarHBondContact O-CG 3.38Å; N398-L402 PolarHBondContact O-N 3.11Å; R399-L402 PolarHBondContact O-N 3.33Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.38Å; L402-F405 PolarHBondContact O-N 2.78Å; L402-M406 PolarHBondContact O-N 3.12Å; L402-M406 VanDerWaalsContact O-N 3.15Å
403	L	95.8	Very high	95.8	Very high	24 Å²	24	22.2 Å²	22.2	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-43	177.8	-68	170.5	0	0	0	111.7	L157 Y160 L161 R399 M406 W407	L157-L403 HydrophobicContact CD1-CD2 4.12Å; Y160-L403 HydrophobicContact CD1-CD1 4.47Å; Y160-L403 HydrophobicContact CD1-CD2 4.3Å; Y160-L403 HydrophobicContact CE1-CD1 3.59Å; Y160-L403 HydrophobicContact CE1-CD2 3.98Å; Y160-L403 HydrophobicContact CE1-CG 4.34Å; L161-L403 HydrophobicContact CD2-CD2 4.13Å; R399-L403 HydrophobicContact CG-CD1 4.1Å; R399-L403 WeakPolarHBondContact O-CG 3.3Å; R399-L403 PolarHBondContact O-N 3.32Å; R399-L403 VanDerWaalsContact O-N 3.1Å; L403-M406 HydrophobicContact CD2-CE 3.73Å; L403-M406 PolarHBondContact O-N 2.96Å; L403-W407 PolarHBondContact O-N 2.86Å
404	N	93.1	Very high	95.9	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.053	8%	0.083	C	C	.	.	H	α-helix	trans	-68.2	-37.3	-177.6	-173.6	102.7	0	0	0	112.8	L320 A321 K325 D400 A401 L402 W407 Q408	L320-N404 WeakPolarHBondContact CA-ND2 3.12Å; L320-N404 WeakPolarHBondContact CB-ND2 3.32Å; L320-N404 HydrophobicContact CD2-CB 4.43Å; L320-N404 WeakPolarHBondContact CD2-ND2 3.34Å; L320-N404 WeakPolarHBondContact CD2-OD1 3.31Å; L320-N404 PolarHBondContact O-ND2 3.24Å; A321-N404 PolarHBondContact N-ND2 3.36Å; K325-N404 VanDerWaalsContact CE-OD1 3.24Å; K325-N404 WeakPolarHBondContact CE-OD1 3.46Å; K325-N404 HydrophobicContact CG-CB 4.07Å; D400-N404 WeakPolarHBondContact O-CB 3.1Å; D400-N404 PolarHBondContact O-N 2.64Å; A401-N404 PolarHBondContact O-N 2.88Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.38Å; N404-W407 WeakPolarHBondContact O-CB 3.33Å; N404-W407 PolarHBondContact O-N 3.12Å; N404-Q408 PolarHBondContact O-NE2 2.97Å
405	F	95.1	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.9	-38.4	176.7	-176.4	-94.2	0	0	0	111.8	F137 Y139 L269 S270 A271 L307 L308 Y322 V376 A401 L402 W407 Q408	F137-F405 AromaticContact CE2-CD1 3.7Å; F137-F405 HydrophobicContact CE2-CD1 3.7Å; F137-F405 AromaticContact CE2-CE1 3.71Å; F137-F405 HydrophobicContact CE2-CE1 3.71Å; F137-F405 AromaticContact CZ-CD1 3.76Å; F137-F405 HydrophobicContact CZ-CD1 3.76Å; F137-F405 AromaticContact CZ-CE1 3.94Å; F137-F405 HydrophobicContact CZ-CE1 3.94Å; Y139-F405 AromaticContact CE1-CD1 3.98Å; Y139-F405 HydrophobicContact CE1-CD1 3.98Å; Y139-F405 HydrophobicContact CE1-CE1 4.32Å; Y139-F405 AromaticContact CZ-CD1 3.78Å; Y139-F405 WeakPolarHBondContact OH-CB 3.49Å; Y139-F405 WeakPolarHBondContact OH-CD1 3.24Å; L269-F405 HydrophobicContact CD1-CE1 4.32Å; L269-F405 HydrophobicContact CD1-CE2 4.4Å; L269-F405 HydrophobicContact CD1-CZ 3.78Å; L269-F405 HydrophobicContact CD2-CD1 4.39Å; L269-F405 HydrophobicContact CD2-CE1 4.01Å; L269-F405 HydrophobicContact CD2-CZ 4.07Å; L269-F405 WeakPolarHBondContact CD2-O 3.47Å; L269-F405 HydrophobicContact CG-CE1 3.95Å; L269-F405 HydrophobicContact CG-CZ 3.93Å; S270-F405 WeakPolarHBondContact O-CZ 3.46Å; A271-F405 HydrophobicContact CB-CD1 4.22Å; A271-F405 HydrophobicContact CB-CE1 3.5Å; A271-F405 HydrophobicContact CB-CZ 3.9Å; L307-F405 HydrophobicContact CB-CE2 4.26Å; L308-F405 HydrophobicContact CD2-CE2 4.33Å; Y322-F405 HydrophobicContact CD2-CB 3.99Å; Y322-F405 HydrophobicContact CD2-CG 4.38Å; V376-F405 HydrophobicContact CG2-CE1 4.39Å; V376-F405 HydrophobicContact CG2-CE2 3.73Å; V376-F405 HydrophobicContact CG2-CZ 3.45Å; V376-F405 VanDerWaalsContact CG2-CZ 3.45Å; A401-F405 WeakPolarHBondContact O-CB 3.47Å; A401-F405 PolarHBondContact O-N 3Å; L402-F405 PolarHBondContact O-N 2.78Å; F405-W407 PolarHBondContact O-N 2.83Å; F405-Q408 WeakPolarHBondContact O-CA 3.33Å; F405-Q408 VanDerWaalsContact O-CB 3.23Å; F405-Q408 WeakPolarHBondContact O-CB 3.45Å; F405-Q408 PolarHBondContact O-N 2.98Å
406	M	96.1	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57	-36.1	170.4	-72.7	-171.1	-72.9	0	0	112.7	F137 Y139 L157 L161 L175 I181 L402 L403 Q408 V409	F137-M406 HydrophobicContact CD1-CG 3.85Å; F137-M406 HydrophobicContact CD1-SD 4.37Å; F137-M406 HydrophobicContact CD2-CG 4.5Å; F137-M406 HydrophobicContact CE1-CG 3.47Å; F137-M406 VanDerWaalsContact CE1-CG 3.47Å; F137-M406 HydrophobicContact CE1-SD 4.18Å; F137-M406 HydrophobicContact CE2-CG 4.14Å; F137-M406 HydrophobicContact CG-CG 4.38Å; F137-M406 HydrophobicContact CZ-CB 4.47Å; F137-M406 HydrophobicContact CZ-CG 3.63Å; Y139-M406 HydrophobicContact CD2-CG 4.5Å; Y139-M406 HydrophobicContact CE2-CG 3.81Å; Y139-M406 HydrophobicContact CE2-SD 4.29Å; L157-M406 HydrophobicContact CD1-CE 4.12Å; L157-M406 HydrophobicContact CD2-CE 4.17Å; L161-M406 HydrophobicContact CD2-CE 4.36Å; L175-M406 HydrophobicContact CD1-CB 4.35Å; L175-M406 HydrophobicContact CD2-CB 4.19Å; L175-M406 HydrophobicContact CD2-CE 3.99Å; L175-M406 HydrophobicContact CD2-SD 4.37Å; I181-M406 HydrophobicContact CD1-SD 3.82Å; I181-M406 HydrophobicContact CG1-SD 4.24Å; I181-M406 HydrophobicContact CG2-SD 3.85Å; L402-M406 PolarHBondContact O-N 3.12Å; L402-M406 VanDerWaalsContact O-N 3.15Å; L403-M406 HydrophobicContact CD2-CE 3.73Å; L403-M406 PolarHBondContact O-N 2.96Å; M406-Q408 PolarHBondContact O-N 2.98Å; M406-V409 VanDerWaalsContact O-CG1 3.22Å; M406-V409 WeakPolarHBondContact O-CG1 3.47Å; M406-V409 PolarHBondContact O-N 3.43Å
407	W	94.9	Very high	96.1	Very high	9 Å²	9	11.7 Å²	11.7	3%	0.034	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-66.3	-17.1	174.5	-81.7	106.7	0	0	0	113.7	S171 K174 L175 I178 L403 N404 F405 V409 H410 M489	S171-W407 WeakPolarHBondContact O-CZ2 3.47Å; K174-W407 HydrophobicContact CB-CH2 4.11Å; K174-W407 HydrophobicContact CB-CZ2 4.46Å; K174-W407 HydrophobicContact CD-CH2 3.81Å; K174-W407 HydrophobicContact CG-CH2 3.85Å; L175-W407 HydrophobicContact CB-CH2 4.33Å; L175-W407 HydrophobicContact CB-CZ2 3.7Å; L175-W407 HydrophobicContact CD1-CD2 3.95Å; L175-W407 HydrophobicContact CD1-CE3 4.34Å; L175-W407 HydrophobicContact CD1-CG 4.33Å; L175-W407 HydrophobicContact CD1-CZ2 4.22Å; L175-W407 HydrophobicContact CG-CZ2 4.49Å; I178-W407 HydrophobicContact CD1-CH2 4.04Å; I178-W407 HydrophobicContact CD1-CZ3 3.73Å; L403-W407 PolarHBondContact O-N 2.86Å; N404-W407 WeakPolarHBondContact O-CB 3.33Å; N404-W407 PolarHBondContact O-N 3.12Å; F405-W407 PolarHBondContact O-N 2.83Å; W407-V409 PolarHBondContact O-N 2.83Å; W407-H410 PolarHBondContact O-N 2.74Å; W407-M489 HydrophobicContact CD2-CB 4.08Å; W407-M489 HydrophobicContact CD2-CG 3.64Å; W407-M489 HydrophobicContact CE3-CB 3.94Å; W407-M489 HydrophobicContact CE3-CG 4.02Å; W407-M489 HydrophobicContact CG-CG 3.96Å; W407-M489 HydrophobicContact CH2-CB 4.05Å; W407-M489 HydrophobicContact CH2-CG 4.37Å; W407-M489 HydrophobicContact CZ2-CB 4.19Å; W407-M489 HydrophobicContact CZ2-CG 4.02Å; W407-M489 HydrophobicContact CZ2-SD 4.38Å; W407-M489 HydrophobicContact CZ3-CB 3.9Å; W407-M489 HydrophobicContact CZ3-CG 4.35Å
408	Q	93.4	Very high	96.2	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-71.7	-16.9	178.4	-64.5	-43	-83.5	0	0	114	L269 L307 L320 N404 F405 M406 H410 I411	L269-Q408 HydrophobicContact CD2-CB 3.6Å; L307-Q408 HydrophobicContact CD2-CB 3.38Å; L307-Q408 HydrophobicContact CD2-CG 3.78Å; L320-Q408 HydrophobicContact CB-CG 4.27Å; L320-Q408 VanDerWaalsContact O-CG 3.27Å; L320-Q408 WeakPolarHBondContact O-CG 3.32Å; L320-Q408 PolarHBondContact O-OE1 2.54Å; N404-Q408 PolarHBondContact O-NE2 2.97Å; F405-Q408 WeakPolarHBondContact O-CA 3.33Å; F405-Q408 VanDerWaalsContact O-CB 3.23Å; F405-Q408 WeakPolarHBondContact O-CB 3.45Å; F405-Q408 PolarHBondContact O-N 2.98Å; M406-Q408 PolarHBondContact O-N 2.98Å; Q408-H410 PolarHBondContact O-N 3.05Å; Q408-I411 WeakPolarHBondContact O-CG1 3.42Å; Q408-I411 PolarHBondContact O-N 2.9Å
409	V	96	Very high	96.2	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-62.2	-13.5	173.9	80.7	0	0	0	0	112.8	P135 F137 T179 V268 L269 M406 W407	P135-V409 HydrophobicContact CB-CG1 4.26Å; P135-V409 HydrophobicContact CB-CG2 3.59Å; P135-V409 HydrophobicContact CG-CG1 3.81Å; P135-V409 HydrophobicContact CG-CG2 4.1Å; F137-V409 HydrophobicContact CB-CG2 4.38Å; F137-V409 HydrophobicContact CD2-CB 4.26Å; T179-V409 HydrophobicContact CG2-CG1 3.86Å; V268-V409 HydrophobicContact CB-CG2 3.72Å; V268-V409 HydrophobicContact CG1-CG2 3.88Å; L269-V409 HydrophobicContact CB-CB 4.07Å; L269-V409 HydrophobicContact CB-CG2 3.82Å; L269-V409 HydrophobicContact CD2-CB 4.22Å; M406-V409 VanDerWaalsContact O-CG1 3.22Å; M406-V409 WeakPolarHBondContact O-CG1 3.47Å; M406-V409 PolarHBondContact O-N 3.43Å; W407-V409 PolarHBondContact O-N 2.83Å
410	H	96.2	Very high	96.3	Very high	5 Å²	5	13.2 Å²	13.2	2%	0.023	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-98.7	9.9	-179.2	-72.4	-69.9	0	0	0	114.8	P135 I178 T179 W407 Q408 V490 E491 A492	P135-H410 VanDerWaalsContact CG-CE1 3.47Å; P135-H410 WeakPolarHBondContact CG-CE1 3.36Å; I178-H410 PolarHBondContact O-CE1 2.86Å; I178-H410 VanDerWaalsContact O-CE1 3.29Å; T179-H410 PolarHBondContact OG1-NE2 2.89Å; W407-H410 PolarHBondContact O-N 2.74Å; Q408-H410 PolarHBondContact O-N 3.05Å; H410-V490 WeakPolarHBondContact CB-O 3.28Å; H410-E491 CarbonylContact O-C 3.54Å; H410-A492 WeakPolarHBondContact O-CA 3.45Å; H410-A492 WeakPolarHBondContact O-CB 3.43Å; H410-A492 PolarHBondContact O-N 3.37Å
411	I	94.3	Very high	96.3	Very high	9 Å²	9	17.8 Å²	17.8	5%	0.046	9%	0.088	C	C	.	.	S	Bend	trans	-83.7	165.5	174.9	72.7	-179.7	0	0	0	112	I306 L307 Q408 L460 N486	I306-I411 HydrophobicContact CD1-CD1 3.85Å; L307-I411 HydrophobicContact CD2-CD1 3.92Å; Q408-I411 WeakPolarHBondContact O-CG1 3.42Å; Q408-I411 PolarHBondContact O-N 2.9Å; I411-L460 HydrophobicContact CD1-CB 4.45Å; I411-L460 HydrophobicContact CG1-CB 4.18Å; I411-L460 HydrophobicContact CG1-CD2 3.84Å; I411-N486 HydrophobicContact CB-CB 4.35Å; I411-N486 HydrophobicContact CG2-CB 4.2Å
412	G	96.1	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	80.3	-132	174	0	0	0	0	0	113.6	R459 N486 V493	G412-R459 WeakPolarHBondContact CA-O 3.46Å; G412-N486 PolarHBondContact N-OD1 3.44Å; G412-V493 PolarHBondContact O-N 3.18Å; G412-V493 VanDerWaalsContact O-N 3.1Å
413	V	98.1	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.2	-178.1	-60.6	0	0	0	0	111.4	Y457 R459 L461 I482 V484 V493	V413-Y457 HydrophobicContact CG2-CE2 4.2Å; V413-R459 HydrophobicContact CG2-CB 3.8Å; V413-R459 HydrophobicContact CG2-CG 4.47Å; V413-R459 PolarHBondContact N-O 3.03Å; V413-R459 PolarHBondContact O-N 2.79Å; V413-L461 HydrophobicContact CG1-CD1 4.32Å; V413-L461 HydrophobicContact CG2-CD1 4.03Å; V413-I482 HydrophobicContact CG1-CG1 4.38Å; V413-I482 HydrophobicContact CG1-CG2 3.97Å; V413-V484 HydrophobicContact CG1-CG2 3.74Å; V413-V493 VanDerWaalsContact CA-O 3.31Å; V413-V493 WeakPolarHBondContact CA-O 3Å
414	K	98.4	Very high	96.4	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.8	169	69.3	178.7	-178.3	176	0	110.7	L133 Y457 W458 E491 A492 V493 R494 L495	L133-K414 HydrophobicContact CB-CD 4.45Å; L133-K414 HydrophobicContact CD2-CG 4.34Å; L133-K414 PolarHBondContact O-NZ 3.04Å; K414-Y457 VanDerWaalsContact CA-O 3.22Å; K414-Y457 WeakPolarHBondContact CA-O 3.47Å; K414-Y457 WeakPolarHBondContact CB-O 3.18Å; K414-W458 HydrophobicContact CB-CG 4.15Å; K414-E491 IonicContact NZ-OE2 3.05Å; K414-E491 PolarHBondContact NZ-OE2 2.88Å; K414-A492 HydrophobicContact CB-CB 4.21Å; K414-A492 HydrophobicContact CD-CB 4.26Å; K414-A492 HydrophobicContact CG-CB 3.99Å; K414-V493 PolarHBondContact N-O 3.02Å; K414-R494 CarbonylContact O-C 3.52Å; K414-R494 VanDerWaalsContact O-CA 3.23Å; K414-R494 WeakPolarHBondContact O-CA 3.43Å; K414-L495 PolarHBondContact O-N 2.66Å
415	G	98.4	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	-176.5	-178.6	0	0	0	0	0	113.1	L133 D456 Y457 L495	L133-G415 VanDerWaalsContact CD2-C 3.49Å; L133-G415 WeakPolarHBondContact CD2-O 3.47Å; G415-D456 CarbonylContact O-C 3.57Å; G415-D456 WeakPolarHBondContact O-CA 3.27Å; G415-D456 WeakPolarHBondContact O-CB 3Å; G415-Y457 PolarHBondContact N-O 3.42Å; G415-Y457 WeakPolarHBondContact O-CD1 3.46Å; G415-Y457 PolarHBondContact O-N 3.21Å; G415-L495 WeakPolarHBondContact CA-O 3.12Å
416	V	98.4	Very high	96.6	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.1	172.8	-169.9	0	0	0	0	108.6	L132 L133 L418 G455 D456 N496 F497	L132-V416 HydrophobicContact CD1-CG1 4.45Å; L132-V416 HydrophobicContact CD1-CG2 3.99Å; L132-V416 HydrophobicContact CD2-CG2 4.2Å; L132-V416 HydrophobicContact CG-CG2 4.16Å; L133-V416 HydrophobicContact CD1-CG2 4.12Å; L133-V416 HydrophobicContact CD2-CG2 3.82Å; L133-V416 HydrophobicContact CG-CG2 3.97Å; V416-L418 HydrophobicContact CG1-CD2 3.64Å; V416-L418 HydrophobicContact CG1-CG 4.24Å; V416-G455 CarbonylContact C-O 3.39Å; V416-G455 WeakPolarHBondContact CA-O 3.37Å; V416-D456 HydrophobicContact CG2-CB 4.22Å; V416-N496 PolarHBondContact N-OD1 2.92Å; V416-N496 VanDerWaalsContact N-OD1 3.08Å; V416-N496 CarbonylContact O-C 3.58Å; V416-N496 VanDerWaalsContact O-CA 3.26Å; V416-N496 WeakPolarHBondContact O-CA 3.33Å; V416-N496 WeakPolarHBondContact O-CB 3.23Å; V416-F497 PolarHBondContact O-N 3.49Å
417	V	98.5	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.9	170.3	-171.2	0	0	0	0	109	L426 V429 I431 T451 G455 Y457 A470 F497 L499	V417-L426 HydrophobicContact CG1-CB 4.31Å; V417-L426 HydrophobicContact CG1-CD1 4.24Å; V417-L426 PolarHBondContact O-N 3.14Å; V417-V429 HydrophobicContact CB-CB 4.46Å; V417-V429 HydrophobicContact CB-CG1 4.48Å; V417-V429 HydrophobicContact CB-CG2 4.08Å; V417-V429 HydrophobicContact CG1-CB 4.4Å; V417-V429 HydrophobicContact CG1-CG1 4.09Å; V417-V429 HydrophobicContact CG1-CG2 3.84Å; V417-V429 HydrophobicContact CG2-CB 4.34Å; V417-V429 HydrophobicContact CG2-CG1 4.15Å; V417-V429 HydrophobicContact CG2-CG2 4.5Å; V417-I431 HydrophobicContact CG2-CD1 4.08Å; V417-T451 HydrophobicContact CB-CG2 4.06Å; V417-T451 HydrophobicContact CG2-CG2 3.55Å; V417-G455 PolarHBondContact N-O 3.1Å; V417-Y457 HydrophobicContact CG2-CD1 4.17Å; V417-Y457 HydrophobicContact CG2-CE1 4.29Å; V417-A470 HydrophobicContact CG2-CB 4.48Å; V417-F497 WeakPolarHBondContact CA-O 3.31Å; V417-F497 HydrophobicContact CG1-CB 4.09Å; V417-F497 HydrophobicContact CG2-CB 4.22Å; V417-F497 HydrophobicContact CG2-CD2 4.36Å; V417-L499 HydrophobicContact CG1-CD1 3.8Å; V417-L499 HydrophobicContact CG1-CG 3.75Å
418	L	98.2	Very high	96.6	Very high	62 Å²	62	37.1 Å²	37.1	33%	0.325	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.3	-179.1	-55.5	177.1	0	0	0	111	V416 A420 K424 P425 F497 A498 L499	V416-L418 HydrophobicContact CG1-CD2 3.64Å; V416-L418 HydrophobicContact CG1-CG 4.24Å; L418-A420 PolarHBondContact O-N 3.27Å; L418-K424 CarbonylContact C-O 3.53Å; L418-K424 VanDerWaalsContact CA-O 3.31Å; L418-K424 WeakPolarHBondContact CA-O 3.49Å; L418-P425 HydrophobicContact CD2-CB 4.32Å; L418-F497 PolarHBondContact N-O 2.88Å; L418-A498 CarbonylContact O-C 3.57Å; L418-A498 VanDerWaalsContact O-CA 3.28Å; L418-A498 WeakPolarHBondContact O-CA 3.49Å; L418-L499 PolarHBondContact O-N 2.74Å
419	D	97.6	Very high	96.8	Very high	9 Å²	9	37 Å²	37	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	119.4	160.5	174.8	-15.2	0	0	0	108.3	R421 T422 G423 K424 L426 Y475	D419-R421 PolarHBondContact O-N 2.8Å; D419-R421 WeakPolarHBondContact OD1-CA 3.31Å; D419-R421 WeakPolarHBondContact OD1-CB 3.33Å; D419-R421 PolarHBondContact OD1-N 3.35Å; D419-T422 VanDerWaalsContact CB-OG1 3.3Å; D419-T422 WeakPolarHBondContact CB-OG1 3.31Å; D419-T422 PolarHBondContact OD1-N 2.8Å; D419-T422 VanDerWaalsContact OD2-CG2 3.28Å; D419-T422 WeakPolarHBondContact OD2-CG2 3.42Å; D419-T422 PolarHBondContact OD2-OG1 2.95Å; D419-G423 VanDerWaalsContact O-CA 3.26Å; D419-G423 WeakPolarHBondContact O-CA 3.49Å; D419-G423 PolarHBondContact O-N 3.1Å; D419-K424 PolarHBondContact N-O 3.18Å; D419-L426 HydrophobicContact CB-CD1 4.24Å; D419-L426 HydrophobicContact CB-CD2 4.08Å; D419-L426 HydrophobicContact CB-CG 4.19Å; D419-Y475 HydrophobicContact CB-CE1 4.25Å
420	A	97.1	Very high	96.8	Very high	52 Å²	52	42.1 Å²	42.1	43%	0.43	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.7	-177.7	0	0	0	0	0	113.5	L418 A498 L499 M500	L418-A420 PolarHBondContact O-N 3.27Å; A420-A498 HydrophobicContact CB-CB 4.08Å; A420-L499 WeakPolarHBondContact CB-O 3.4Å; A420-L499 PolarHBondContact N-O 3.37Å; A420-M500 HydrophobicContact CB-CB 4.48Å
421	R	95.2	Very high	96.9	Very high	172 Å²	172	41.9 Å²	41.9	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-45	-179.6	179.9	175.2	59.3	-160.7	-0.4	112	D419	D419-R421 PolarHBondContact O-N 2.8Å; D419-R421 WeakPolarHBondContact OD1-CA 3.31Å; D419-R421 WeakPolarHBondContact OD1-CB 3.33Å; D419-R421 PolarHBondContact OD1-N 3.35Å
422	T	96.1	Very high	97.1	Very high	73 Å²	73	43.1 Å²	43.1	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-18.6	-174.4	66.2	0	0	0	0	113.9	D419 K424	D419-T422 VanDerWaalsContact CB-OG1 3.3Å; D419-T422 WeakPolarHBondContact CB-OG1 3.31Å; D419-T422 PolarHBondContact OD1-N 2.8Å; D419-T422 VanDerWaalsContact OD2-CG2 3.28Å; D419-T422 WeakPolarHBondContact OD2-CG2 3.42Å; D419-T422 PolarHBondContact OD2-OG1 2.95Å; T422-K424 PolarHBondContact O-N 3.05Å; T422-K424 WeakPolarHBondContact OG1-CB 3.29Å; T422-K424 PolarHBondContact OG1-N 3.03Å
423	G	95.9	Very high	97.2	Very high	49 Å²	49	43.2 Å²	43.2	51%	0.505	24%	0.24	S	C	.	.			trans	71.4	4.4	-172.9	0	0	0	0	0	114.1	D419	D419-G423 VanDerWaalsContact O-CA 3.26Å; D419-G423 WeakPolarHBondContact O-CA 3.49Å; D419-G423 PolarHBondContact O-N 3.1Å
424	K	96.5	Very high	97.1	Very high	143 Å²	143	46 Å²	46	62%	0.622	25%	0.253	S	S	*	.			trans	-75.5	147.7	178.6	-68.3	-176.4	177.2	-175.8	0	110.9	L418 D419 T422	L418-K424 CarbonylContact C-O 3.53Å; L418-K424 VanDerWaalsContact CA-O 3.31Å; L418-K424 WeakPolarHBondContact CA-O 3.49Å; D419-K424 PolarHBondContact N-O 3.18Å; T422-K424 PolarHBondContact O-N 3.05Å; T422-K424 WeakPolarHBondContact OG1-CB 3.29Å; T422-K424 PolarHBondContact OG1-N 3.03Å
425	P	96.6	Very high	97	Very high	64 Å²	64	47.6 Å²	47.6	42%	0.416	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-64.3	147.1	171.7	27.7	-33.5	0	0	0	112	L418 N454	L418-P425 HydrophobicContact CD2-CB 4.32Å; P425-N454 WeakPolarHBondContact CB-O 3.35Å
426	L	97.2	Very high	96.9	Very high	17 Å²	17	49 Å²	49	9%	0.089	27%	0.271	C	S	.	.			trans	-112.7	116.4	177.3	-67.4	176.1	0	0	0	110.2	V417 D419 V429 T451 G455 L472 Y475 L499	V417-L426 HydrophobicContact CG1-CB 4.31Å; V417-L426 HydrophobicContact CG1-CD1 4.24Å; V417-L426 PolarHBondContact O-N 3.14Å; D419-L426 HydrophobicContact CB-CD1 4.24Å; D419-L426 HydrophobicContact CB-CD2 4.08Å; D419-L426 HydrophobicContact CB-CG 4.19Å; L426-V429 HydrophobicContact CB-CG2 3.58Å; L426-V429 WeakPolarHBondContact O-CG2 3.34Å; L426-T451 WeakPolarHBondContact O-CB 2.82Å; L426-T451 PolarHBondContact O-OG1 3.19Å; L426-G455 VanDerWaalsContact O-CA 3.23Å; L426-G455 WeakPolarHBondContact O-CA 3.49Å; L426-L472 HydrophobicContact CB-CD2 4.16Å; L426-L472 HydrophobicContact CD1-CD2 4Å; L426-L472 HydrophobicContact CD2-CD2 4.07Å; L426-L472 HydrophobicContact CG-CD2 4.31Å; L426-Y475 HydrophobicContact CD1-CD1 4.11Å; L426-Y475 HydrophobicContact CD1-CE1 3.73Å; L426-Y475 HydrophobicContact CD2-CE1 4.28Å; L426-Y475 HydrophobicContact CD2-CE2 4.39Å; L426-Y475 WeakPolarHBondContact CD2-OH 3.42Å; L426-L499 HydrophobicContact CD1-CB 4.07Å; L426-L499 HydrophobicContact CD1-CD1 4.24Å; L426-L499 HydrophobicContact CD1-CG 4.4Å
427	S	94.9	Very high	96.7	Very high	57 Å²	57	52.2 Å²	52.2	40%	0.399	29%	0.291	S	S	.	.	S	Bend	trans	-82.4	163.1	172.7	58	0	0	0	0	111.9	V429 T451 A452	S427-V429 PolarHBondContact O-N 3.41Å; S427-T451 WeakPolarHBondContact CA-OG1 3.43Å; S427-A452 WeakPolarHBondContact CA-O 3.35Å; S427-A452 WeakPolarHBondContact CB-O 3.01Å
428	S	94.9	Very high	96.4	Very high	47 Å²	47	56.1 Å²	56.1	33%	0.329	31%	0.311	S	S	.	.	S	Bend	trans	58.7	20.8	175.3	-50.7	0	0	0	0	115.1	K430 T451	S428-K430 PolarHBondContact O-N 3.21Å; S428-T451 PolarHBondContact N-O 2.92Å; S428-T451 VanDerWaalsContact N-O 3.08Å; S428-T451 PolarHBondContact N-OG1 2.96Å; S428-T451 VanDerWaalsContact N-OG1 3.08Å
429	V	97.6	Very high	95.9	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.33	C	S	.	.			trans	-74.9	122.4	175.3	179.7	0	0	0	0	108.7	V417 L426 S427 I431 I450 T451 A470 V471 L472 L499	V417-V429 HydrophobicContact CB-CB 4.46Å; V417-V429 HydrophobicContact CB-CG1 4.48Å; V417-V429 HydrophobicContact CB-CG2 4.08Å; V417-V429 HydrophobicContact CG1-CB 4.4Å; V417-V429 HydrophobicContact CG1-CG1 4.09Å; V417-V429 HydrophobicContact CG1-CG2 3.84Å; V417-V429 HydrophobicContact CG2-CB 4.34Å; V417-V429 HydrophobicContact CG2-CG1 4.15Å; V417-V429 HydrophobicContact CG2-CG2 4.5Å; L426-V429 HydrophobicContact CB-CG2 3.58Å; L426-V429 WeakPolarHBondContact O-CG2 3.34Å; S427-V429 PolarHBondContact O-N 3.41Å; V429-I431 HydrophobicContact CG1-CD1 4.24Å; V429-I431 PolarHBondContact O-N 2.84Å; V429-I450 CarbonylContact O-C 3.54Å; V429-I450 VanDerWaalsContact O-CA 3.26Å; V429-I450 WeakPolarHBondContact O-CA 3.42Å; V429-T451 HydrophobicContact CB-CG2 3.84Å; V429-T451 WeakPolarHBondContact CB-OG1 3.35Å; V429-T451 HydrophobicContact CG2-CG2 4.34Å; V429-T451 PolarHBondContact N-OG1 2.85Å; V429-T451 PolarHBondContact O-N 2.94Å; V429-T451 VanDerWaalsContact O-N 3.09Å; V429-A470 HydrophobicContact CG1-CB 3.93Å; V429-V471 WeakPolarHBondContact CG1-O 3.37Å; V429-L472 HydrophobicContact CG1-CB 4.42Å; V429-L472 HydrophobicContact CG2-CB 4.13Å; V429-L472 HydrophobicContact CG2-CD1 4.32Å; V429-L472 HydrophobicContact CG2-CD2 3.98Å; V429-L472 HydrophobicContact CG2-CG 4.38Å; V429-L499 HydrophobicContact CG1-CD1 4.05Å; V429-L499 HydrophobicContact CG2-CD1 4.49Å
430	K	97.4	Very high	95.5	Very high	107 Å²	107	68.6 Å²	68.6	47%	0.465	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.7	175.5	-65.3	177.4	-177.7	174.8	0	110.2	S428 I450 V471	S428-K430 PolarHBondContact O-N 3.21Å; K430-I450 HydrophobicContact CG-CG2 4.19Å; K430-V471 HydrophobicContact CB-CB 4.43Å; K430-V471 PolarHBondContact N-O 3.03Å; K430-V471 PolarHBondContact O-N 3.18Å
431	I	98.1	Very high	95.2	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	102.9	174.6	-53.3	-60.2	0	0	0	108.3	V417 V429 V433 V449 Y457 V468 T469 A470	V417-I431 HydrophobicContact CG2-CD1 4.08Å; V429-I431 HydrophobicContact CG1-CD1 4.24Å; V429-I431 PolarHBondContact O-N 2.84Å; I431-V433 HydrophobicContact CG2-CG2 4.44Å; I431-V449 HydrophobicContact CB-CG2 3.7Å; I431-V449 HydrophobicContact CG1-CG2 4.1Å; I431-V449 HydrophobicContact CG2-CG2 4.25Å; I431-V449 PolarHBondContact N-O 3.13Å; I431-Y457 HydrophobicContact CB-CD2 4.41Å; I431-Y457 HydrophobicContact CD1-CD1 4.1Å; I431-Y457 HydrophobicContact CD1-CD2 4.29Å; I431-Y457 HydrophobicContact CD1-CE1 4.18Å; I431-Y457 HydrophobicContact CD1-CE2 4.37Å; I431-Y457 HydrophobicContact CD1-CG 4.15Å; I431-Y457 HydrophobicContact CG1-CD1 4.29Å; I431-Y457 HydrophobicContact CG1-CD2 3.75Å; I431-Y457 HydrophobicContact CG1-CE2 4.14Å; I431-Y457 HydrophobicContact CG1-CG 3.82Å; I431-Y457 HydrophobicContact CG2-CD2 4.15Å; I431-Y457 HydrophobicContact CG2-CE2 3.89Å; I431-V468 HydrophobicContact CG2-CG1 3.58Å; I431-T469 WeakPolarHBondContact CA-O 3.48Å; I431-A470 HydrophobicContact CD1-CB 4.06Å
432	V	97.6	Very high	95.1	Very high	35 Å²	35	67.1 Å²	67.1	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	-179.3	-174.4	0	0	0	0	109.2	L444 V468 T469 V471	V432-L444 HydrophobicContact CG1-CD1 3.81Å; V432-V468 WeakPolarHBondContact O-CA 3.49Å; V432-T469 PolarHBondContact N-O 3.15Å; V432-T469 PolarHBondContact O-N 3.47Å; V432-V471 HydrophobicContact CG2-CG2 4.13Å
433	V	97.9	Very high	95	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	-177.1	-177	0	0	0	0	111.6	I431 I445 R459 L461 Y466 V468	I431-V433 HydrophobicContact CG2-CG2 4.44Å; V433-I445 HydrophobicContact CB-CD1 4.21Å; V433-I445 HydrophobicContact CG1-CD1 3.78Å; V433-I445 HydrophobicContact CG1-CG1 4.45Å; V433-I445 PolarHBondContact O-N 3.35Å; V433-R459 HydrophobicContact CG2-CG 3.94Å; V433-L461 HydrophobicContact CG1-CD1 4.26Å; V433-L461 HydrophobicContact CG1-CD2 3.98Å; V433-Y466 HydrophobicContact CG1-CD1 3.61Å; V433-Y466 HydrophobicContact CG1-CE1 4.48Å; V433-Y466 HydrophobicContact CG1-CG 4.17Å; V433-V468 HydrophobicContact CG2-CG1 4.41Å; V433-V468 HydrophobicContact CG2-CG2 4.36Å
434	Q	97.3	Very high	94.9	Very high	59 Å²	59	68.8 Å²	68.8	28%	0.276	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.7	168.3	-172.5	179.5	51.6	0	0	109.4	V436 L442 V443 L444 Y466 N467	Q434-V436 HydrophobicContact CB-CG1 4.49Å; Q434-V436 HydrophobicContact CG-CG1 4.11Å; Q434-V436 PolarHBondContact O-N 3.47Å; Q434-L442 HydrophobicContact CG-CB 4.36Å; Q434-V443 CarbonylContact C-O 3.58Å; Q434-V443 WeakPolarHBondContact CA-O 3.49Å; Q434-L444 HydrophobicContact CB-CD1 4.44Å; Q434-Y466 CarbonylContact O-C 3.47Å; Q434-Y466 WeakPolarHBondContact O-CA 3.36Å; Q434-N467 HydrophobicContact CB-CB 4.44Å; Q434-N467 PolarHBondContact N-O 2.99Å; Q434-N467 PolarHBondContact O-N 3.17Å
435	N	96.4	Very high	94.9	Very high	42 Å²	42	62.7 Å²	62.7	23%	0.225	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.6	171.8	-170.7	-18.9	0	0	0	109.2	T437 L442 V443 T465 Y466	N435-T437 WeakPolarHBondContact OD1-CB 3.46Å; N435-T437 PolarHBondContact OD1-N 3.3Å; N435-T437 PolarHBondContact OD1-OG1 3.28Å; N435-L442 WeakPolarHBondContact O-CA 3.29Å; N435-V443 HydrophobicContact CB-CB 4.34Å; N435-V443 PolarHBondContact N-O 3.12Å; N435-V443 PolarHBondContact O-N 3.01Å; N435-V443 VanDerWaalsContact O-N 3.07Å; N435-T465 PolarHBondContact OD1-O 3.4Å; N435-Y466 HydrophobicContact CB-CD1 4.03Å; N435-Y466 HydrophobicContact CB-CE1 3.86Å
436	V	96.4	Very high	94.7	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.182	34%	0.344	C	S	.	.			trans	-121.6	21.1	-179.3	-53.6	0	0	0	0	111.2	Q434 D438 L442 T465 N467 V481	Q434-V436 HydrophobicContact CB-CG1 4.49Å; Q434-V436 HydrophobicContact CG-CG1 4.11Å; Q434-V436 PolarHBondContact O-N 3.47Å; V436-D438 VanDerWaalsContact C-N 3.32Å; V436-D438 PolarHBondContact O-N 2.96Å; V436-L442 HydrophobicContact CB-CD2 4.04Å; V436-L442 HydrophobicContact CG1-CD2 3.89Å; V436-T465 CarbonylContact C-O 3.52Å; V436-T465 HydrophobicContact CG2-CG2 3.85Å; V436-T465 WeakPolarHBondContact CG2-O 3.26Å; V436-T465 PolarHBondContact N-O 3.5Å; V436-N467 HydrophobicContact CG1-CB 3.99Å; V436-V481 HydrophobicContact CG2-CG1 4.49Å
437	T	93.3	Very high	94.6	Very high	77 Å²	77	65 Å²	65	47%	0.472	34%	0.34	S	S	.	.	S	Bend	trans	-60.6	-44.1	179.2	-54.9	0	0	0	0	111.1	N435 G464 T465	N435-T437 WeakPolarHBondContact OD1-CB 3.46Å; N435-T437 PolarHBondContact OD1-N 3.3Å; N435-T437 PolarHBondContact OD1-OG1 3.28Å; T437-G464 VanDerWaalsContact OG1-CA 3.27Å; T437-G464 WeakPolarHBondContact OG1-CA 3.1Å; T437-T465 PolarHBondContact N-O 3.42Å; T437-T465 VanDerWaalsContact N-O 3.07Å; T437-T465 PolarHBondContact OG1-N 3.17Å; T437-T465 PolarHBondContact OG1-O 2.99Å
438	D	92	Very high	94.7	Very high	82 Å²	82	63.5 Å²	63.5	44%	0.439	33%	0.327	S	S	.	.	S	Bend	trans	-100	109.1	166.8	-177.3	-1.5	0	0	0	108.6	V436 R440 N441	V436-D438 VanDerWaalsContact C-N 3.32Å; V436-D438 PolarHBondContact O-N 2.96Å; D438-R440 PolarHBondContact O-N 2.76Å; D438-R440 WeakPolarHBondContact OD1-CB 3.48Å; D438-R440 PolarHBondContact OD1-N 3.18Å; D438-N441 HydrophobicContact CB-CB 4.48Å; D438-N441 CarbonylContact O-C 3.48Å; D438-N441 PolarHBondContact O-N 3.17Å
439	S	87.2	Confident	94.8	Very high	102 Å²	102	61.2 Å²	61.2	71%	0.713	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-12.3	180	61.8	0	0	0	0	113.7
440	R	90.9	Very high	94.7	Very high	231 Å²	231	63.2 Å²	63.2	87%	0.872	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-16.4	176.4	-60.9	-179.6	178.7	176.5	-0.2	113.2	D438	D438-R440 PolarHBondContact O-N 2.76Å; D438-R440 WeakPolarHBondContact OD1-CB 3.48Å; D438-R440 PolarHBondContact OD1-N 3.18Å
441	N	90.9	Very high	94.7	Very high	100 Å²	100	58.2 Å²	58.2	54%	0.535	30%	0.3	S	S	.	.	S	Bend	trans	-136.1	83.2	-177.5	-174.6	24.7	0	0	0	109.7	D438 V443	D438-N441 HydrophobicContact CB-CB 4.48Å; D438-N441 CarbonylContact O-C 3.48Å; D438-N441 PolarHBondContact O-N 3.17Å; N441-V443 PolarHBondContact O-N 3.35Å
442	L	92.1	Very high	94.6	Very high	92 Å²	92	58.9 Å²	58.9	48%	0.482	31%	0.305	S	S	.	.			trans	-78	116.9	177.3	-50.1	-179.5	0	0	0	108.7	Q434 N435 V436	Q434-L442 HydrophobicContact CG-CB 4.36Å; N435-L442 WeakPolarHBondContact O-CA 3.29Å; V436-L442 HydrophobicContact CB-CD2 4.04Å; V436-L442 HydrophobicContact CG1-CD2 3.89Å
443	V	93.6	Very high	94.2	Very high	67 Å²	67	60.4 Å²	60.4	41%	0.406	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.3	-177.8	-177.8	0	0	0	0	109.1	Q434 N435 N441	Q434-V443 CarbonylContact C-O 3.58Å; Q434-V443 WeakPolarHBondContact CA-O 3.49Å; N435-V443 HydrophobicContact CB-CB 4.34Å; N435-V443 PolarHBondContact N-O 3.12Å; N435-V443 PolarHBondContact O-N 3.01Å; N435-V443 VanDerWaalsContact O-N 3.07Å; N441-V443 PolarHBondContact O-N 3.35Å
444	L	94.7	Very high	94	Very high	90 Å²	90	61.3 Å²	61.3	47%	0.471	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.2	170.1	-178.8	67.6	0	0	0	109.2	V432 Q434 K446	V432-L444 HydrophobicContact CG1-CD1 3.81Å; Q434-L444 HydrophobicContact CB-CD1 4.44Å; L444-K446 PolarHBondContact O-N 3.47Å
445	I	95.1	Very high	93.9	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.077	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	105.8	174.8	-51.8	179.4	0	0	0	107.8	V433 H447 L461 Y466	V433-I445 HydrophobicContact CB-CD1 4.21Å; V433-I445 HydrophobicContact CG1-CD1 3.78Å; V433-I445 HydrophobicContact CG1-CG1 4.45Å; V433-I445 PolarHBondContact O-N 3.35Å; I445-H447 PolarHBondContact O-N 2.93Å; I445-L461 HydrophobicContact CD1-CD2 3.9Å; I445-Y466 HydrophobicContact CD1-CE1 4.31Å
446	K	93.8	Very high	94	Very high	129 Å²	129	56.5 Å²	56.5	56%	0.561	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	60.7	-177.6	-58.8	179.3	-177.9	-179.4	0	110.9	N238 S299 L444	N238-K446 HydrophobicContact CB-CB 4.49Å; N238-K446 VanDerWaalsContact CB-O 3.3Å; N238-K446 WeakPolarHBondContact CB-O 3.22Å; N238-K446 VanDerWaalsContact CG-O 3.27Å; N238-K446 WeakPolarHBondContact ND2-CA 3.37Å; S299-K446 WeakPolarHBondContact CB-O 3.4Å; S299-K446 VanDerWaalsContact OG-C 3.29Å; S299-K446 WeakPolarHBondContact OG-CB 3.32Å; S299-K446 PolarHBondContact OG-N 3.23Å; S299-K446 PolarHBondContact OG-O 3.17Å; L444-K446 PolarHBondContact O-N 3.47Å
447	H	95.2	Very high	94.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	102.6	169.6	176.6	65.8	0	0	0	107.5	N238 S239 D300 Y368 I445 R459	N238-H447 PolarHBondContact O-ND1 3.08Å; N238-H447 VanDerWaalsContact O-ND1 3.14Å; N238-H447 WeakPolarHBondContact OD1-CA 3.18Å; S239-H447 WeakPolarHBondContact CB-ND1 3.39Å; D300-H447 IonicContact OD2-CD2 2.67Å; D300-H447 PolarHBondContact OD2-CD2 3.34Å; D300-H447 IonicContact OD2-CG 3.55Å; Y368-H447 AromaticContact CD2-NE2 3.79Å; Y368-H447 AromaticContact CE1-CG 3.98Å; Y368-H447 AromaticContact CE1-ND1 3.91Å; Y368-H447 AromaticContact CE2-CD2 3.3Å; Y368-H447 WeakPolarHBondContact CE2-CD2 3.39Å; Y368-H447 AromaticContact CE2-CE1 3.96Å; Y368-H447 AromaticContact CE2-CG 3.84Å; Y368-H447 AromaticContact CE2-NE2 3.46Å; Y368-H447 WeakPolarHBondContact CE2-NE2 3.18Å; Y368-H447 AromaticContact CZ-CD2 3.4Å; Y368-H447 AromaticContact CZ-CG 3.42Å; Y368-H447 VanDerWaalsContact CZ-CG 3.42Å; Y368-H447 AromaticContact CZ-ND1 3.77Å; Y368-H447 AromaticContact CZ-NE2 3.84Å; Y368-H447 PolarHBondContact O-CE1 2.96Å; Y368-H447 VanDerWaalsContact OH-CB 3.25Å; Y368-H447 WeakPolarHBondContact OH-CB 3.32Å; Y368-H447 PolarHBondContact OH-CD2 3.09Å; I445-H447 PolarHBondContact O-N 2.93Å; H447-R459 PolarHBondContact CD2-NH1 2.86Å; H447-R459 VanDerWaalsContact CD2-NH1 3.29Å; H447-R459 VanDerWaalsContact O-CZ 3.31Å; H447-R459 PolarHBondContact O-NH1 3.43Å; H447-R459 PolarHBondContact O-NH2 3.32Å
448	N	95.4	Very high	94.3	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.128	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.9	-176.4	-56.7	-48.1	0	0	0	110.7	S239	S239-N448 VanDerWaalsContact CB-O 3.24Å; S239-N448 WeakPolarHBondContact CB-O 3.38Å; S239-N448 PolarHBondContact OG-O 3.12Å
449	V	97	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	154.6	163.9	-61.2	0	0	0	0	109.9	N372 I431 Y457 R459	N372-V449 HydrophobicContact CB-CG1 4.44Å; N372-V449 WeakPolarHBondContact OD1-CA 3.47Å; N372-V449 WeakPolarHBondContact OD1-CB 3.48Å; I431-V449 HydrophobicContact CB-CG2 3.7Å; I431-V449 HydrophobicContact CG1-CG2 4.1Å; I431-V449 HydrophobicContact CG2-CG2 4.25Å; I431-V449 PolarHBondContact N-O 3.13Å; V449-Y457 HydrophobicContact CG2-CD2 4.48Å; V449-R459 HydrophobicContact CG2-CB 4.01Å; V449-R459 HydrophobicContact CG2-CG 4.39Å
450	I	96.7	Very high	95.1	Very high	41 Å²	41	43.6 Å²	43.6	21%	0.21	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	154.1	174.6	67.5	179.7	0	0	0	111.7	H240 N372 V429 K430	H240-I450 WeakPolarHBondContact NE2-CG1 3.02Å; N372-I450 PolarHBondContact ND2-O 3.02Å; N372-I450 PolarHBondContact OD1-N 3.3Å; V429-I450 CarbonylContact O-C 3.54Å; V429-I450 VanDerWaalsContact O-CA 3.26Å; V429-I450 WeakPolarHBondContact O-CA 3.42Å; K430-I450 HydrophobicContact CG-CG2 4.19Å
451	T	97.8	Very high	95.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.166	C	C	.	.			trans	-69.8	143.7	171.8	51.6	0	0	0	0	112	V417 L426 S427 S428 V429 G455 D456 Y457	V417-T451 HydrophobicContact CB-CG2 4.06Å; V417-T451 HydrophobicContact CG2-CG2 3.55Å; L426-T451 WeakPolarHBondContact O-CB 2.82Å; L426-T451 PolarHBondContact O-OG1 3.19Å; S427-T451 WeakPolarHBondContact CA-OG1 3.43Å; S428-T451 PolarHBondContact N-O 2.92Å; S428-T451 VanDerWaalsContact N-O 3.08Å; S428-T451 PolarHBondContact N-OG1 2.96Å; S428-T451 VanDerWaalsContact N-OG1 3.08Å; V429-T451 HydrophobicContact CB-CG2 3.84Å; V429-T451 WeakPolarHBondContact CB-OG1 3.35Å; V429-T451 HydrophobicContact CG2-CG2 4.34Å; V429-T451 PolarHBondContact N-OG1 2.85Å; V429-T451 PolarHBondContact O-N 2.94Å; V429-T451 VanDerWaalsContact O-N 3.09Å; T451-G455 WeakPolarHBondContact CG2-O 3.31Å; T451-D456 CarbonylContact C-O 3.54Å; T451-D456 WeakPolarHBondContact CA-O 3.24Å; T451-D456 WeakPolarHBondContact CB-O 3.24Å; T451-Y457 HydrophobicContact CG2-CD1 4.15Å; T451-Y457 HydrophobicContact CG2-CG 4.39Å
452	A	95.1	Very high	95.4	Very high	13 Å²	13	29 Å²	29	11%	0.107	15%	0.148	C	C	.	.			trans	-71.3	177.5	170.4	0	0	0	0	0	111.5	P266 S427 N454 G455 D456	P266-A452 HydrophobicContact CB-CB 3.93Å; P266-A452 HydrophobicContact CG-CB 4.14Å; S427-A452 WeakPolarHBondContact CA-O 3.35Å; S427-A452 WeakPolarHBondContact CB-O 3.01Å; A452-N454 PolarHBondContact O-N 3.4Å; A452-N454 VanDerWaalsContact O-N 3.15Å; A452-G455 WeakPolarHBondContact O-CA 3.41Å; A452-G455 PolarHBondContact O-N 3.08Å; A452-D456 PolarHBondContact N-O 2.95Å
453	F	90.3	Very high	95.4	Very high	68 Å²	68	28 Å²	28	30%	0.298	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.4	-175.5	75.6	-84.4	0	0	0	114.3	H130 G455 Q569 Y570	H130-F453 HydrophobicContact CB-CE1 4.49Å; H130-F453 AromaticContact CD2-CE1 3.77Å; F453-G455 VanDerWaalsContact C-N 3.28Å; F453-Q569 HydrophobicContact CD2-CB 4.43Å; F453-Q569 HydrophobicContact CE2-CB 4.05Å; F453-Q569 WeakPolarHBondContact CG-O 3.04Å; F453-Q569 HydrophobicContact CZ-CB 4.15Å; F453-Y570 AromaticContact CD1-CD1 3.7Å; F453-Y570 HydrophobicContact CD1-CD1 3.7Å; F453-Y570 AromaticContact CD1-CE1 3.35Å; F453-Y570 HydrophobicContact CD1-CE1 3.35Å; F453-Y570 AromaticContact CD1-CZ 3.97Å; F453-Y570 HydrophobicContact CE1-CD1 4.09Å; F453-Y570 AromaticContact CE1-CE1 3.35Å; F453-Y570 HydrophobicContact CE1-CE1 3.35Å; F453-Y570 HydrophobicContact CE1-CE2 4.23Å; F453-Y570 AromaticContact CE1-CZ 3.47Å; F453-Y570 VanDerWaalsContact CE1-CZ 3.47Å
454	N	91.8	Very high	95.4	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.112	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10	178.1	63.7	-9	0	0	0	112.7	H130 L132 P425 A452 D456	H130-N454 PolarHBondContact CD2-ND2 3.24Å; H130-N454 PolarHBondContact NE2-ND2 3.03Å; H130-N454 VanDerWaalsContact NE2-ND2 3.13Å; L132-N454 HydrophobicContact CD1-CB 4.11Å; P425-N454 WeakPolarHBondContact CB-O 3.35Å; A452-N454 PolarHBondContact O-N 3.4Å; A452-N454 VanDerWaalsContact O-N 3.15Å; N454-D456 VanDerWaalsContact C-N 3.27Å; N454-D456 PolarHBondContact ND2-OD2 3.05Å; N454-D456 PolarHBondContact O-N 3.22Å; N454-D456 PolarHBondContact OD1-N 3.45Å; N454-D456 PolarHBondContact OD1-OD1 3.46Å
455	G	96.7	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	76.2	5.1	174.3	0	0	0	0	0	115.4	V416 V417 L426 T451 A452 F453	V416-G455 CarbonylContact C-O 3.39Å; V416-G455 WeakPolarHBondContact CA-O 3.37Å; V417-G455 PolarHBondContact N-O 3.1Å; L426-G455 VanDerWaalsContact O-CA 3.23Å; L426-G455 WeakPolarHBondContact O-CA 3.49Å; T451-G455 WeakPolarHBondContact CG2-O 3.31Å; A452-G455 WeakPolarHBondContact O-CA 3.41Å; A452-G455 PolarHBondContact O-N 3.08Å; F453-G455 VanDerWaalsContact C-N 3.28Å
456	D	97.8	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	159.9	173	63.7	15.8	0	0	0	112.7	H130 L132 L133 G415 V416 T451 A452 N454 W458	H130-D456 IonicContact NE2-OD1 2.78Å; H130-D456 IonicContact NE2-OD2 3.76Å; H130-D456 PolarHBondContact NE2-OD2 3.3Å; L132-D456 WeakPolarHBondContact CA-OD2 3.25Å; L132-D456 HydrophobicContact CD1-CB 3.86Å; L133-D456 HydrophobicContact CD2-CB 4.16Å; L133-D456 PolarHBondContact N-OD2 2.98Å; G415-D456 CarbonylContact O-C 3.57Å; G415-D456 WeakPolarHBondContact O-CA 3.27Å; G415-D456 WeakPolarHBondContact O-CB 3Å; V416-D456 HydrophobicContact CG2-CB 4.22Å; T451-D456 CarbonylContact C-O 3.54Å; T451-D456 WeakPolarHBondContact CA-O 3.24Å; T451-D456 WeakPolarHBondContact CB-O 3.24Å; A452-D456 PolarHBondContact N-O 2.95Å; N454-D456 VanDerWaalsContact C-N 3.27Å; N454-D456 PolarHBondContact ND2-OD2 3.05Å; N454-D456 PolarHBondContact O-N 3.22Å; N454-D456 PolarHBondContact OD1-N 3.45Å; N454-D456 PolarHBondContact OD1-OD1 3.46Å; D456-W458 HydrophobicContact CB-CH2 4.16Å; D456-W458 HydrophobicContact CB-CZ2 4.48Å; D456-W458 WeakPolarHBondContact OD1-CH2 3.47Å; D456-W458 WeakPolarHBondContact OD1-CZ3 3.49Å; D456-W458 VanDerWaalsContact OD2-CH2 3.25Å; D456-W458 WeakPolarHBondContact OD2-CH2 3.31Å
457	Y	98.6	Very high	95.8	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157	177.8	73.8	-83.1	0	0	0	110.2	V413 K414 G415 V417 I431 V449 T451 R459 L495 F497	V413-Y457 HydrophobicContact CG2-CE2 4.2Å; K414-Y457 VanDerWaalsContact CA-O 3.22Å; K414-Y457 WeakPolarHBondContact CA-O 3.47Å; K414-Y457 WeakPolarHBondContact CB-O 3.18Å; G415-Y457 PolarHBondContact N-O 3.42Å; G415-Y457 WeakPolarHBondContact O-CD1 3.46Å; G415-Y457 PolarHBondContact O-N 3.21Å; V417-Y457 HydrophobicContact CG2-CD1 4.17Å; V417-Y457 HydrophobicContact CG2-CE1 4.29Å; I431-Y457 HydrophobicContact CB-CD2 4.41Å; I431-Y457 HydrophobicContact CD1-CD1 4.1Å; I431-Y457 HydrophobicContact CD1-CD2 4.29Å; I431-Y457 HydrophobicContact CD1-CE1 4.18Å; I431-Y457 HydrophobicContact CD1-CE2 4.37Å; I431-Y457 HydrophobicContact CD1-CG 4.15Å; I431-Y457 HydrophobicContact CG1-CD1 4.29Å; I431-Y457 HydrophobicContact CG1-CD2 3.75Å; I431-Y457 HydrophobicContact CG1-CE2 4.14Å; I431-Y457 HydrophobicContact CG1-CG 3.82Å; I431-Y457 HydrophobicContact CG2-CD2 4.15Å; I431-Y457 HydrophobicContact CG2-CE2 3.89Å; V449-Y457 HydrophobicContact CG2-CD2 4.48Å; T451-Y457 HydrophobicContact CG2-CD1 4.15Å; T451-Y457 HydrophobicContact CG2-CG 4.39Å; Y457-R459 HydrophobicContact CD2-CB 4.5Å; Y457-L495 PolarHBondContact OH-O 3.49Å; Y457-F497 HydrophobicContact CE1-CD2 4.3Å; Y457-F497 HydrophobicContact CE1-CE2 4.45Å; Y457-F497 WeakPolarHBondContact OH-CE2 3.45Å
458	W	98.5	Very high	95.9	Very high	16 Å²	16	17.8 Å²	17.8	6%	0.061	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.7	171	-56.5	-100.2	0	0	0	108.3	H130 L133 K134 P135 P266 V268 K414 D456	H130-W458 AromaticContact CE1-CH2 3.4Å; H130-W458 VanDerWaalsContact CE1-CH2 3.4Å; H130-W458 WeakPolarHBondContact CE1-CH2 3.45Å; H130-W458 AromaticContact NE2-CH2 3.71Å; L133-W458 PolarHBondContact O-NE1 3.35Å; K134-W458 VanDerWaalsContact C-CZ2 3.49Å; K134-W458 WeakPolarHBondContact O-CZ2 3.34Å; P135-W458 HydrophobicContact CB-CD2 4.39Å; P135-W458 HydrophobicContact CB-CG 4.28Å; P266-W458 HydrophobicContact CB-CZ3 4.41Å; V268-W458 HydrophobicContact CB-CB 4.35Å; V268-W458 HydrophobicContact CG1-CB 3.68Å; V268-W458 HydrophobicContact CG1-CG 4.35Å; V268-W458 HydrophobicContact CG2-CB 3.67Å; V268-W458 HydrophobicContact CG2-CD2 3.65Å; V268-W458 HydrophobicContact CG2-CE3 3.63Å; V268-W458 HydrophobicContact CG2-CG 3.67Å; K414-W458 HydrophobicContact CB-CG 4.15Å; D456-W458 HydrophobicContact CB-CH2 4.16Å; D456-W458 HydrophobicContact CB-CZ2 4.48Å; D456-W458 WeakPolarHBondContact OD1-CH2 3.47Å; D456-W458 WeakPolarHBondContact OD1-CZ3 3.49Å; D456-W458 VanDerWaalsContact OD2-CH2 3.25Å; D456-W458 WeakPolarHBondContact OD2-CH2 3.31Å
459	R	98.2	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106	175.7	-179.3	57.2	-169.5	-161	-5.1	109.3	D300 G412 V413 V433 H447 V449 Y457 L461	D300-R459 IonicContact OD1-CZ 2.8Å; D300-R459 IonicContact OD1-NH2 3.9Å; D300-R459 PolarHBondContact OD1-NH2 3.18Å; D300-R459 IonicContact OD2-CZ 2.63Å; D300-R459 IonicContact OD2-NH1 2.72Å; D300-R459 IonicContact OD2-NH2 3.51Å; D300-R459 PolarHBondContact OD2-NH2 2.91Å; G412-R459 WeakPolarHBondContact CA-O 3.46Å; V413-R459 HydrophobicContact CG2-CB 3.8Å; V413-R459 HydrophobicContact CG2-CG 4.47Å; V413-R459 PolarHBondContact N-O 3.03Å; V413-R459 PolarHBondContact O-N 2.79Å; V433-R459 HydrophobicContact CG2-CG 3.94Å; H447-R459 PolarHBondContact CD2-NH1 2.86Å; H447-R459 VanDerWaalsContact CD2-NH1 3.29Å; H447-R459 VanDerWaalsContact O-CZ 3.31Å; H447-R459 PolarHBondContact O-NH1 3.43Å; H447-R459 PolarHBondContact O-NH2 3.32Å; V449-R459 HydrophobicContact CG2-CB 4.01Å; V449-R459 HydrophobicContact CG2-CG 4.39Å; Y457-R459 HydrophobicContact CD2-CB 4.5Å; R459-L461 HydrophobicContact CG-CD1 4.25Å; R459-L461 HydrophobicContact CG-CD2 4.05Å; R459-L461 HydrophobicContact CG-CG 3.97Å; R459-L461 PolarHBondContact O-N 3.41Å
460	L	96.7	Very high	96.2	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.103	C	C	.	.			trans	-65.4	126.6	175.5	-54.2	-177.4	0	0	0	108.8	V268 L269 V303 F374 I411	V268-L460 HydrophobicContact CG1-CD1 4.33Å; V268-L460 HydrophobicContact CG1-CD2 3.78Å; V268-L460 HydrophobicContact CG1-CG 4.02Å; L269-L460 HydrophobicContact CB-CD1 4.34Å; L269-L460 HydrophobicContact CD1-CD1 4.07Å; V303-L460 HydrophobicContact CG1-CB 3.83Å; F374-L460 HydrophobicContact CB-CD1 3.92Å; F374-L460 HydrophobicContact CD1-CD1 4.23Å; F374-L460 HydrophobicContact CD2-CD1 4.18Å; F374-L460 HydrophobicContact CG-CD1 3.86Å; I411-L460 HydrophobicContact CD1-CB 4.45Å; I411-L460 HydrophobicContact CG1-CB 4.18Å; I411-L460 HydrophobicContact CG1-CD2 3.84Å
461	L	95.3	Very high	96.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.109	C	C	.	.			trans	-143.3	149.6	-179	-64	171.6	0	0	0	109.4	V413 V433 I445 R459 Y466 V484 N486	V413-L461 HydrophobicContact CG1-CD1 4.32Å; V413-L461 HydrophobicContact CG2-CD1 4.03Å; V433-L461 HydrophobicContact CG1-CD1 4.26Å; V433-L461 HydrophobicContact CG1-CD2 3.98Å; I445-L461 HydrophobicContact CD1-CD2 3.9Å; R459-L461 HydrophobicContact CG-CD1 4.25Å; R459-L461 HydrophobicContact CG-CD2 4.05Å; R459-L461 HydrophobicContact CG-CG 3.97Å; R459-L461 PolarHBondContact O-N 3.41Å; L461-Y466 HydrophobicContact CB-CE2 4.09Å; L461-Y466 HydrophobicContact CD1-CD1 4.21Å; L461-Y466 HydrophobicContact CD1-CD2 3.97Å; L461-Y466 HydrophobicContact CD1-CE1 4.47Å; L461-Y466 HydrophobicContact CD1-CE2 4.26Å; L461-Y466 HydrophobicContact CD1-CG 3.95Å; L461-Y466 HydrophobicContact CD2-CD1 4.3Å; L461-Y466 HydrophobicContact CD2-CE1 4.07Å; L461-V484 HydrophobicContact CD1-CG2 4.38Å; L461-N486 PolarHBondContact O-ND2 2.96Å
462	T	92.2	Very high	96.2	Very high	24 Å²	24	20.3 Å²	20.3	15%	0.147	12%	0.117	C	C	.	.			trans	-73	166.7	171.4	60.5	0	0	0	0	111.1	W302 V303 I306 G464 Y466 V484	W302-T462 HydrophobicContact CB-CG2 4.07Å; V303-T462 HydrophobicContact CG2-CG2 4.06Å; I306-T462 HydrophobicContact CD1-CG2 3.69Å; I306-T462 HydrophobicContact CG1-CG2 3.96Å; I306-T462 HydrophobicContact CG2-CG2 4.11Å; T462-G464 PolarHBondContact O-N 2.6Å; T462-Y466 WeakPolarHBondContact O-CE2 3.35Å; T462-Y466 PolarHBondContact O-OH 3.35Å; T462-Y466 PolarHBondContact OG1-OH 3.33Å; T462-V484 WeakPolarHBondContact O-CG1 3.31Å
463	P	92.4	Very high	96.1	Very high	71 Å²	71	28.5 Å²	28.5	46%	0.461	15%	0.153	S	C	.	.	S	Bend	trans	-60.3	127.2	171.5	-24.7	35.8	0	0	0	111.4	V484 N486	P463-V484 WeakPolarHBondContact CA-O 3.45Å; P463-N486 HydrophobicContact CG-CB 4.27Å
464	G	93.6	Very high	96.3	Very high	9 Å²	9	27.2 Å²	27.2	9%	0.093	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-174.7	-172.3	0	0	0	0	0	112.8	T437 T462 K483 V484	T437-G464 VanDerWaalsContact OG1-CA 3.27Å; T437-G464 WeakPolarHBondContact OG1-CA 3.1Å; T462-G464 PolarHBondContact O-N 2.6Å; G464-K483 CarbonylContact O-C 3.31Å; G464-K483 WeakPolarHBondContact O-CA 3.23Å; G464-V484 PolarHBondContact N-O 3.03Å; G464-V484 VanDerWaalsContact N-O 3.07Å; G464-V484 PolarHBondContact O-N 3.09Å
465	T	96.6	Very high	96.6	Very high	43 Å²	43	28.6 Å²	28.6	26%	0.264	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.2	170.4	-51.7	0	0	0	0	108.9	N435 V436 T437 V481 I482	N435-T465 PolarHBondContact OD1-O 3.4Å; V436-T465 CarbonylContact C-O 3.52Å; V436-T465 HydrophobicContact CG2-CG2 3.85Å; V436-T465 WeakPolarHBondContact CG2-O 3.26Å; V436-T465 PolarHBondContact N-O 3.5Å; T437-T465 PolarHBondContact N-O 3.42Å; T437-T465 VanDerWaalsContact N-O 3.07Å; T437-T465 PolarHBondContact OG1-N 3.17Å; T437-T465 PolarHBondContact OG1-O 2.99Å; T465-V481 HydrophobicContact CG2-CG1 3.62Å; T465-I482 WeakPolarHBondContact CA-O 3.32Å
466	Y	97.9	Very high	96.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.4	-173.3	-59.9	-89	0	0	0	110.4	V433 Q434 N435 I445 L461 T462 V481 I482 V484	V433-Y466 HydrophobicContact CG1-CD1 3.61Å; V433-Y466 HydrophobicContact CG1-CE1 4.48Å; V433-Y466 HydrophobicContact CG1-CG 4.17Å; Q434-Y466 CarbonylContact O-C 3.47Å; Q434-Y466 WeakPolarHBondContact O-CA 3.36Å; N435-Y466 HydrophobicContact CB-CD1 4.03Å; N435-Y466 HydrophobicContact CB-CE1 3.86Å; I445-Y466 HydrophobicContact CD1-CE1 4.31Å; L461-Y466 HydrophobicContact CB-CE2 4.09Å; L461-Y466 HydrophobicContact CD1-CD1 4.21Å; L461-Y466 HydrophobicContact CD1-CD2 3.97Å; L461-Y466 HydrophobicContact CD1-CE1 4.47Å; L461-Y466 HydrophobicContact CD1-CE2 4.26Å; L461-Y466 HydrophobicContact CD1-CG 3.95Å; L461-Y466 HydrophobicContact CD2-CD1 4.3Å; L461-Y466 HydrophobicContact CD2-CE1 4.07Å; T462-Y466 WeakPolarHBondContact O-CE2 3.35Å; T462-Y466 PolarHBondContact O-OH 3.35Å; T462-Y466 PolarHBondContact OG1-OH 3.33Å; Y466-V481 CarbonylContact O-C 3.56Å; Y466-V481 VanDerWaalsContact O-CA 3.28Å; Y466-V481 WeakPolarHBondContact O-CA 3.46Å; Y466-I482 PolarHBondContact N-O 3.08Å; Y466-I482 PolarHBondContact O-N 3.04Å; Y466-V484 HydrophobicContact CD2-CB 4.31Å; Y466-V484 HydrophobicContact CD2-CG2 3.81Å; Y466-V484 HydrophobicContact CE2-CB 4.05Å; Y466-V484 HydrophobicContact CE2-CG2 3.98Å
467	N	97.8	Very high	96.6	Very high	34 Å²	34	37.7 Å²	37.7	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.6	161.6	-172.5	17.8	0	0	0	107.7	Q434 V436 V481	Q434-N467 HydrophobicContact CB-CB 4.44Å; Q434-N467 PolarHBondContact N-O 2.99Å; Q434-N467 PolarHBondContact O-N 3.17Å; V436-N467 HydrophobicContact CG1-CB 3.99Å; N467-V481 HydrophobicContact CB-CG2 4.39Å
468	V	98.5	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.5	-176.2	-177.4	0	0	0	0	108.1	I431 V432 V433 H479 K480 I482 L495 F497	I431-V468 HydrophobicContact CG2-CG1 3.58Å; V432-V468 WeakPolarHBondContact O-CA 3.49Å; V433-V468 HydrophobicContact CG2-CG1 4.41Å; V433-V468 HydrophobicContact CG2-CG2 4.36Å; V468-H479 CarbonylContact O-C 3.28Å; V468-H479 VanDerWaalsContact O-CA 3.26Å; V468-H479 WeakPolarHBondContact O-CA 3.43Å; V468-K480 PolarHBondContact N-O 3.12Å; V468-K480 PolarHBondContact O-N 3.1Å; V468-I482 HydrophobicContact CG2-CG2 3.91Å; V468-L495 HydrophobicContact CB-CD2 3.79Å; V468-L495 HydrophobicContact CG1-CD2 4.05Å; V468-L495 HydrophobicContact CG2-CD2 4.02Å; V468-F497 HydrophobicContact CB-CZ 4.17Å; V468-F497 HydrophobicContact CG1-CE2 4.08Å; V468-F497 HydrophobicContact CG1-CZ 3.87Å; V468-F497 WeakPolarHBondContact O-CZ 3.14Å
469	T	98.4	Very high	96.5	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.3	-177.3	-53.2	0	0	0	0	110.1	I431 V432 V471 S478 H479	I431-T469 WeakPolarHBondContact CA-O 3.48Å; V432-T469 PolarHBondContact N-O 3.15Å; V432-T469 PolarHBondContact O-N 3.47Å; T469-V471 HydrophobicContact CG2-CG2 3.77Å; T469-S478 CarbonylContact C-O 3.51Å; T469-S478 WeakPolarHBondContact CA-O 3.37Å; T469-H479 HydrophobicContact CG2-CB 4.14Å; T469-H479 WeakPolarHBondContact OG1-CB 3.28Å
470	A	98.6	Very high	96.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.4	169.6	0	0	0	0	0	109.7	V417 V429 I431 S477 S478 F497 L499	V417-A470 HydrophobicContact CG2-CB 4.48Å; V429-A470 HydrophobicContact CG1-CB 3.93Å; I431-A470 HydrophobicContact CD1-CB 4.06Å; A470-S477 WeakPolarHBondContact O-CA 3.41Å; A470-S477 WeakPolarHBondContact O-CB 3.41Å; A470-S478 PolarHBondContact N-O 3.11Å; A470-S478 PolarHBondContact O-N 2.98Å; A470-S478 VanDerWaalsContact O-N 3.14Å; A470-F497 HydrophobicContact CB-CB 3.94Å; A470-F497 HydrophobicContact CB-CD1 3.85Å; A470-F497 HydrophobicContact CB-CD2 3.86Å; A470-F497 HydrophobicContact CB-CE1 4.28Å; A470-F497 HydrophobicContact CB-CE2 4.29Å; A470-F497 HydrophobicContact CB-CG 3.61Å; A470-F497 HydrophobicContact CB-CZ 4.5Å; A470-L499 HydrophobicContact CB-CD1 4.39Å; A470-L499 HydrophobicContact CB-CD2 4Å
471	V	97.7	Very high	96.5	Very high	56 Å²	56	52.7 Å²	52.7	34%	0.339	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.3	-175.6	-173.6	0	0	0	0	109.6	V429 K430 V432 T469	V429-V471 WeakPolarHBondContact CG1-O 3.37Å; K430-V471 HydrophobicContact CB-CB 4.43Å; K430-V471 PolarHBondContact N-O 3.03Å; K430-V471 PolarHBondContact O-N 3.18Å; V432-V471 HydrophobicContact CG2-CG2 4.13Å; T469-V471 HydrophobicContact CG2-CG2 3.77Å
472	L	96.9	Very high	96.6	Very high	36 Å²	36	54.2 Å²	54.2	19%	0.188	30%	0.296	C	S	.	.			trans	-142	137.4	173.3	-176.6	66.1	0	0	0	108.3	L426 V429 Y475 L499	L426-L472 HydrophobicContact CB-CD2 4.16Å; L426-L472 HydrophobicContact CD1-CD2 4Å; L426-L472 HydrophobicContact CD2-CD2 4.07Å; L426-L472 HydrophobicContact CG-CD2 4.31Å; V429-L472 HydrophobicContact CG1-CB 4.42Å; V429-L472 HydrophobicContact CG2-CB 4.13Å; V429-L472 HydrophobicContact CG2-CD1 4.32Å; V429-L472 HydrophobicContact CG2-CD2 3.98Å; V429-L472 HydrophobicContact CG2-CG 4.38Å; L472-Y475 HydrophobicContact CB-CD2 4.18Å; L472-Y475 HydrophobicContact CD2-CD2 3.6Å; L472-Y475 HydrophobicContact CD2-CE2 3.62Å; L472-Y475 HydrophobicContact CD2-CG 4.36Å; L472-Y475 HydrophobicContact CG-CD2 3.91Å; L472-Y475 HydrophobicContact CG-CE2 4.33Å; L472-Y475 PolarHBondContact O-N 2.57Å; L472-Y475 VanDerWaalsContact O-N 3.16Å; L472-L499 HydrophobicContact CB-CD1 4Å
473	E	93.8	Very high	96.9	Very high	184 Å²	184	60.3 Å²	60.3	86%	0.86	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	139	176.9	-173.9	172.8	178.9	0	0	111.2	Y475	E473-Y475 VanDerWaalsContact C-N 3.29Å; E473-Y475 WeakPolarHBondContact O-CD2 3.42Å; E473-Y475 PolarHBondContact O-N 2.95Å
474	G	95.1	Very high	97	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	4.6	-174.4	0	0	0	0	0	115.1	I502	G474-I502 PolarHBondContact O-N 2.94Å
475	Y	97.1	Very high	97	Very high	50 Å²	50	59.8 Å²	59.8	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.8	177.2	-69.4	-105.1	0	0	0	112.2	D419 L426 L472 E473 S477 L499 M500 P501	D419-Y475 HydrophobicContact CB-CE1 4.25Å; L426-Y475 HydrophobicContact CD1-CD1 4.11Å; L426-Y475 HydrophobicContact CD1-CE1 3.73Å; L426-Y475 HydrophobicContact CD2-CE1 4.28Å; L426-Y475 HydrophobicContact CD2-CE2 4.39Å; L426-Y475 WeakPolarHBondContact CD2-OH 3.42Å; L472-Y475 HydrophobicContact CB-CD2 4.18Å; L472-Y475 HydrophobicContact CD2-CD2 3.6Å; L472-Y475 HydrophobicContact CD2-CE2 3.62Å; L472-Y475 HydrophobicContact CD2-CG 4.36Å; L472-Y475 HydrophobicContact CG-CD2 3.91Å; L472-Y475 HydrophobicContact CG-CE2 4.33Å; L472-Y475 PolarHBondContact O-N 2.57Å; L472-Y475 VanDerWaalsContact O-N 3.16Å; E473-Y475 VanDerWaalsContact C-N 3.29Å; E473-Y475 WeakPolarHBondContact O-CD2 3.42Å; E473-Y475 PolarHBondContact O-N 2.95Å; Y475-S477 PolarHBondContact O-N 3.48Å; Y475-L499 HydrophobicContact CD1-CB 3.62Å; Y475-L499 HydrophobicContact CE1-CB 4.48Å; Y475-L499 HydrophobicContact CG-CB 4.12Å; Y475-M500 WeakPolarHBondContact CA-O 3.48Å; Y475-P501 HydrophobicContact CD1-CB 4.36Å; Y475-P501 HydrophobicContact CD1-CG 4.03Å; Y475-P501 HydrophobicContact CE1-CB 4.17Å; Y475-P501 HydrophobicContact CE1-CG 3.52Å
476	W	97.1	Very high	96.7	Very high	118 Å²	118	58.4 Å²	58.4	45%	0.447	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.3	166.4	-66.8	108.6	0	0	0	109.8	M500 I502	W476-M500 PolarHBondContact N-O 3.39Å; W476-I502 HydrophobicContact CD2-CD1 4.47Å; W476-I502 HydrophobicContact CD2-CG1 3.99Å; W476-I502 HydrophobicContact CG-CG1 4.05Å; W476-I502 HydrophobicContact CZ2-CG1 4.41Å; W476-I502 HydrophobicContact CZ2-CG2 4.2Å
477	S	97.3	Very high	96.4	Very high	73 Å²	73	61 Å²	61	51%	0.51	33%	0.325	S	S	.	.			trans	-65	149.1	178.1	63.6	0	0	0	0	111.6	A470 Y475	A470-S477 WeakPolarHBondContact O-CA 3.41Å; A470-S477 WeakPolarHBondContact O-CB 3.41Å; Y475-S477 PolarHBondContact O-N 3.48Å
478	S	97.8	Very high	95.9	Very high	31 Å²	31	63.5 Å²	63.5	22%	0.217	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.9	178.8	-174.1	0	0	0	0	109.8	T469 A470 F497	T469-S478 CarbonylContact C-O 3.51Å; T469-S478 WeakPolarHBondContact CA-O 3.37Å; A470-S478 PolarHBondContact N-O 3.11Å; A470-S478 PolarHBondContact O-N 2.98Å; A470-S478 VanDerWaalsContact O-N 3.14Å; S478-F497 VanDerWaalsContact O-CE1 3.3Å; S478-F497 WeakPolarHBondContact O-CE1 3.44Å
479	H	96.9	Very high	95.5	Very high	122 Å²	122	66.1 Å²	66.1	57%	0.565	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.5	-179.9	63.9	-88.8	0	0	0	111.6	V468 T469	V468-H479 CarbonylContact O-C 3.28Å; V468-H479 VanDerWaalsContact O-CA 3.26Å; V468-H479 WeakPolarHBondContact O-CA 3.43Å; T469-H479 HydrophobicContact CG2-CB 4.14Å; T469-H479 WeakPolarHBondContact OG1-CB 3.28Å
480	K	98.2	Very high	95.3	Very high	84 Å²	84	67.8 Å²	67.8	37%	0.365	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137	179.5	-66.9	-178.8	-177.7	-177.8	0	110.2	V468 L495 N496 F497	V468-K480 PolarHBondContact N-O 3.12Å; V468-K480 PolarHBondContact O-N 3.1Å; K480-L495 HydrophobicContact CB-CD1 3.88Å; K480-L495 HydrophobicContact CB-CD2 4.46Å; K480-L495 HydrophobicContact CD-CD1 3.68Å; K480-L495 HydrophobicContact CD-CG 4.49Å; K480-L495 HydrophobicContact CG-CD1 4.41Å; K480-N496 PolarHBondContact NZ-O 3.29Å; K480-F497 HydrophobicContact CB-CE1 4.07Å; K480-F497 HydrophobicContact CB-CZ 4.3Å; K480-F497 HydrophobicContact CD-CD1 4.2Å; K480-F497 HydrophobicContact CD-CE1 3.92Å; K480-F497 HydrophobicContact CD-CZ 4.45Å; K480-F497 HydrophobicContact CG-CD1 4.38Å; K480-F497 HydrophobicContact CG-CE1 3.78Å; K480-F497 HydrophobicContact CG-CZ 4.43Å
481	V	97.6	Very high	95.2	Very high	98 Å²	98	71.9 Å²	71.9	59%	0.594	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.5	172.3	-178.6	0	0	0	0	109.7	V436 T465 Y466 N467	V436-V481 HydrophobicContact CG2-CG1 4.49Å; T465-V481 HydrophobicContact CG2-CG1 3.62Å; Y466-V481 CarbonylContact O-C 3.56Å; Y466-V481 VanDerWaalsContact O-CA 3.28Å; Y466-V481 WeakPolarHBondContact O-CA 3.46Å; N467-V481 HydrophobicContact CB-CG2 4.39Å
482	I	97.9	Very high	95.1	Very high	33 Å²	33	69.7 Å²	69.7	17%	0.169	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147	-177.4	-167.4	59.2	0	0	0	111.4	V413 T465 Y466 V468 V493 L495	V413-I482 HydrophobicContact CG1-CG1 4.38Å; V413-I482 HydrophobicContact CG1-CG2 3.97Å; T465-I482 WeakPolarHBondContact CA-O 3.32Å; Y466-I482 PolarHBondContact N-O 3.08Å; Y466-I482 PolarHBondContact O-N 3.04Å; V468-I482 HydrophobicContact CG2-CG2 3.91Å; I482-V493 HydrophobicContact CD1-CG1 3.84Å; I482-V493 HydrophobicContact CG1-CG1 4.03Å; I482-L495 HydrophobicContact CB-CD2 4.28Å; I482-L495 HydrophobicContact CG2-CD2 4.11Å
483	K	97.2	Very high	95.1	Very high	152 Å²	152	70.1 Å²	70.1	66%	0.661	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	173.9	-174	176.1	-177.8	175.1	0	110.4	G464	G464-K483 CarbonylContact O-C 3.31Å; G464-K483 WeakPolarHBondContact O-CA 3.23Å
484	V	95.6	Very high	95.3	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.6	178.6	177.7	0	0	0	0	109.1	V413 L461 T462 P463 G464 Y466 N486	V413-V484 HydrophobicContact CG1-CG2 3.74Å; L461-V484 HydrophobicContact CD1-CG2 4.38Å; T462-V484 WeakPolarHBondContact O-CG1 3.31Å; P463-V484 WeakPolarHBondContact CA-O 3.45Å; G464-V484 PolarHBondContact N-O 3.03Å; G464-V484 VanDerWaalsContact N-O 3.07Å; G464-V484 PolarHBondContact O-N 3.09Å; Y466-V484 HydrophobicContact CD2-CB 4.31Å; Y466-V484 HydrophobicContact CD2-CG2 3.81Å; Y466-V484 HydrophobicContact CE2-CB 4.05Å; Y466-V484 HydrophobicContact CE2-CG2 3.98Å; V484-N486 WeakPolarHBondContact CG1-OD1 3.31Å
485	S	92	Very high	95.4	Very high	66 Å²	66	67.1 Å²	67.1	46%	0.462	34%	0.338	S	S	.	.			trans	-126.8	-16.6	-179.3	58.7	0	0	0	0	115.1
486	N	92	Very high	95.5	Very high	13 Å²	13	67.6 Å²	67.6	7%	0.07	34%	0.344	C	S	.	.			trans	46.8	58	178.5	-60	-16.1	0	0	0	115.8	L318 I411 G412 L461 P463 V484	L318-N486 WeakPolarHBondContact CD2-O 3.46Å; I411-N486 HydrophobicContact CB-CB 4.35Å; I411-N486 HydrophobicContact CG2-CB 4.2Å; G412-N486 PolarHBondContact N-OD1 3.44Å; L461-N486 PolarHBondContact O-ND2 2.96Å; P463-N486 HydrophobicContact CG-CB 4.27Å; V484-N486 WeakPolarHBondContact CG1-OD1 3.31Å
487	P	90.6	Very high	95.6	Very high	57 Å²	57	62.2 Å²	62.2	37%	0.37	32%	0.324	S	S	.	.			trans	-63.1	145.3	174.7	16	-13.4	0	0	0	112	M489 V490	P487-M489 PolarHBondContact O-N 3.47Å; P487-V490 HydrophobicContact CB-CB 4.07Å; P487-V490 HydrophobicContact CB-CG2 3.92Å; P487-V490 HydrophobicContact CG-CB 3.77Å; P487-V490 HydrophobicContact CG-CG1 3.95Å; P487-V490 HydrophobicContact CG-CG2 4.07Å; P487-V490 PolarHBondContact O-N 2.64Å
488	H	87.5	Confident	95.6	Very high	87 Å²	87	61.3 Å²	61.3	40%	0.403	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	130.5	-178	-177	-95	0	0	0	112.4	L320 V490	L320-H488 HydrophobicContact CD1-CB 4.41Å; L320-H488 WeakPolarHBondContact CD2-CD2 3.45Å; L320-H488 WeakPolarHBondContact CD2-NE2 3.47Å; L320-H488 VanDerWaalsContact CG-CD2 3.44Å; L320-H488 WeakPolarHBondContact CG-CD2 3.19Å; H488-V490 PolarHBondContact O-N 2.92Å
489	M	90.5	Very high	95.6	Very high	54 Å²	54	59.9 Å²	59.9	27%	0.266	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.8	-179.5	-63.7	176.6	173.8	0	0	114.4	K174 W407 P487	K174-M489 PolarHBondContact NZ-O 2.99Å; W407-M489 HydrophobicContact CD2-CB 4.08Å; W407-M489 HydrophobicContact CD2-CG 3.64Å; W407-M489 HydrophobicContact CE3-CB 3.94Å; W407-M489 HydrophobicContact CE3-CG 4.02Å; W407-M489 HydrophobicContact CG-CG 3.96Å; W407-M489 HydrophobicContact CH2-CB 4.05Å; W407-M489 HydrophobicContact CH2-CG 4.37Å; W407-M489 HydrophobicContact CZ2-CB 4.19Å; W407-M489 HydrophobicContact CZ2-CG 4.02Å; W407-M489 HydrophobicContact CZ2-SD 4.38Å; W407-M489 HydrophobicContact CZ3-CB 3.9Å; W407-M489 HydrophobicContact CZ3-CG 4.35Å; P487-M489 PolarHBondContact O-N 3.47Å
490	V	93.5	Very high	95.6	Very high	66 Å²	66	59.6 Å²	59.6	40%	0.4	31%	0.311	S	S	.	.			trans	-120.5	142.5	175.6	179.6	0	0	0	0	109	H410 P487 H488	H410-V490 WeakPolarHBondContact CB-O 3.28Å; P487-V490 HydrophobicContact CB-CB 4.07Å; P487-V490 HydrophobicContact CB-CG2 3.92Å; P487-V490 HydrophobicContact CG-CB 3.77Å; P487-V490 HydrophobicContact CG-CG1 3.95Å; P487-V490 HydrophobicContact CG-CG2 4.07Å; P487-V490 PolarHBondContact O-N 2.64Å; H488-V490 PolarHBondContact O-N 2.92Å
491	E	96	Very high	95.5	Very high	86 Å²	86	56.3 Å²	56.3	40%	0.402	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-61.1	153.7	177.5	-66.7	175.9	-107	0	0	112.5	I178 H410 K414	I178-E491 HydrophobicContact CD1-CG 3.78Å; H410-E491 CarbonylContact O-C 3.54Å; K414-E491 IonicContact NZ-OE2 3.05Å; K414-E491 PolarHBondContact NZ-OE2 2.88Å
492	A	96.1	Very high	95.2	Very high	9 Å²	9	53.7 Å²	53.7	7%	0.074	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-58.1	151.2	176.6	0	0	0	0	0	111.8	H410 K414 R494	H410-A492 WeakPolarHBondContact O-CA 3.45Å; H410-A492 WeakPolarHBondContact O-CB 3.43Å; H410-A492 PolarHBondContact O-N 3.37Å; K414-A492 HydrophobicContact CB-CB 4.21Å; K414-A492 HydrophobicContact CD-CB 4.26Å; K414-A492 HydrophobicContact CG-CB 3.99Å; A492-R494 PolarHBondContact O-N 3.14Å
493	V	97.2	Very high	94.4	Very high	46 Å²	46	56.6 Å²	56.6	28%	0.279	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.1	-178.7	-179.1	0	0	0	0	109.5	G412 V413 K414 I482	G412-V493 PolarHBondContact O-N 3.18Å; G412-V493 VanDerWaalsContact O-N 3.1Å; V413-V493 VanDerWaalsContact CA-O 3.31Å; V413-V493 WeakPolarHBondContact CA-O 3Å; K414-V493 PolarHBondContact N-O 3.02Å; I482-V493 HydrophobicContact CD1-CG1 3.84Å; I482-V493 HydrophobicContact CG1-CG1 4.03Å
494	R	97.8	Very high	93	Very high	147 Å²	147	54 Å²	54	56%	0.555	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.2	-177.6	-166.2	166.6	-177.6	173.9	-4.1	111.9	K414 A492 N496	K414-R494 CarbonylContact O-C 3.52Å; K414-R494 VanDerWaalsContact O-CA 3.23Å; K414-R494 WeakPolarHBondContact O-CA 3.43Å; A492-R494 PolarHBondContact O-N 3.14Å; R494-N496 PolarHBondContact NE-OD1 2.79Å
495	L	98.3	Very high	91.3	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.073	32%	0.322	C	S	.	.			trans	-137.5	96.9	177.9	-174.9	66.9	0	0	0	110.4	K414 G415 Y457 V468 K480 I482 F497	K414-L495 PolarHBondContact O-N 2.66Å; G415-L495 WeakPolarHBondContact CA-O 3.12Å; Y457-L495 PolarHBondContact OH-O 3.49Å; V468-L495 HydrophobicContact CB-CD2 3.79Å; V468-L495 HydrophobicContact CG1-CD2 4.05Å; V468-L495 HydrophobicContact CG2-CD2 4.02Å; K480-L495 HydrophobicContact CB-CD1 3.88Å; K480-L495 HydrophobicContact CB-CD2 4.46Å; K480-L495 HydrophobicContact CD-CD1 3.68Å; K480-L495 HydrophobicContact CD-CG 4.49Å; K480-L495 HydrophobicContact CG-CD1 4.41Å; I482-L495 HydrophobicContact CB-CD2 4.28Å; I482-L495 HydrophobicContact CG2-CD2 4.11Å; L495-F497 HydrophobicContact CD2-CE2 3.93Å; L495-F497 HydrophobicContact CD2-CZ 3.81Å; L495-F497 HydrophobicContact CG-CE2 3.93Å; L495-F497 HydrophobicContact CG-CZ 4.06Å
496	N	98.3	Very high	89.6	Confident	61 Å²	61	59.4 Å²	59.4	33%	0.326	32%	0.32	S	S	.	.			trans	-90.2	154.6	178.5	-54.4	-37.8	0	0	0	111.1	V416 K480 R494	V416-N496 PolarHBondContact N-OD1 2.92Å; V416-N496 VanDerWaalsContact N-OD1 3.08Å; V416-N496 CarbonylContact O-C 3.58Å; V416-N496 VanDerWaalsContact O-CA 3.26Å; V416-N496 WeakPolarHBondContact O-CA 3.33Å; V416-N496 WeakPolarHBondContact O-CB 3.23Å; K480-N496 PolarHBondContact NZ-O 3.29Å; R494-N496 PolarHBondContact NE-OD1 2.79Å
497	F	98.6	Very high	87.9	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.4	171.1	-65.5	-90.4	0	0	0	110.7	V416 V417 L418 Y457 V468 A470 S478 K480 L495 L499	V416-F497 PolarHBondContact O-N 3.49Å; V417-F497 WeakPolarHBondContact CA-O 3.31Å; V417-F497 HydrophobicContact CG1-CB 4.09Å; V417-F497 HydrophobicContact CG2-CB 4.22Å; V417-F497 HydrophobicContact CG2-CD2 4.36Å; L418-F497 PolarHBondContact N-O 2.88Å; Y457-F497 HydrophobicContact CE1-CD2 4.3Å; Y457-F497 HydrophobicContact CE1-CE2 4.45Å; Y457-F497 WeakPolarHBondContact OH-CE2 3.45Å; V468-F497 HydrophobicContact CB-CZ 4.17Å; V468-F497 HydrophobicContact CG1-CE2 4.08Å; V468-F497 HydrophobicContact CG1-CZ 3.87Å; V468-F497 WeakPolarHBondContact O-CZ 3.14Å; A470-F497 HydrophobicContact CB-CB 3.94Å; A470-F497 HydrophobicContact CB-CD1 3.85Å; A470-F497 HydrophobicContact CB-CD2 3.86Å; A470-F497 HydrophobicContact CB-CE1 4.28Å; A470-F497 HydrophobicContact CB-CE2 4.29Å; A470-F497 HydrophobicContact CB-CG 3.61Å; A470-F497 HydrophobicContact CB-CZ 4.5Å; S478-F497 VanDerWaalsContact O-CE1 3.3Å; S478-F497 WeakPolarHBondContact O-CE1 3.44Å; K480-F497 HydrophobicContact CB-CE1 4.07Å; K480-F497 HydrophobicContact CB-CZ 4.3Å; K480-F497 HydrophobicContact CD-CD1 4.2Å; K480-F497 HydrophobicContact CD-CE1 3.92Å; K480-F497 HydrophobicContact CD-CZ 4.45Å; K480-F497 HydrophobicContact CG-CD1 4.38Å; K480-F497 HydrophobicContact CG-CE1 3.78Å; K480-F497 HydrophobicContact CG-CZ 4.43Å; L495-F497 HydrophobicContact CD2-CE2 3.93Å; L495-F497 HydrophobicContact CD2-CZ 3.81Å; L495-F497 HydrophobicContact CG-CE2 3.93Å; L495-F497 HydrophobicContact CG-CZ 4.06Å; F497-L499 HydrophobicContact CB-CD2 4.47Å
498	A	98	Very high	86.1	Confident	55 Å²	55	65.4 Å²	65.4	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.6	169.8	0	0	0	0	0	106.6	L418 A420	L418-A498 CarbonylContact O-C 3.57Å; L418-A498 VanDerWaalsContact O-CA 3.28Å; L418-A498 WeakPolarHBondContact O-CA 3.49Å; A420-A498 HydrophobicContact CB-CB 4.08Å
499	L	98.2	Very high	84.6	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.6	-175.7	-57.9	-173.8	0	0	0	109.7	V417 L418 A420 L426 V429 A470 L472 Y475 F497	V417-L499 HydrophobicContact CG1-CD1 3.8Å; V417-L499 HydrophobicContact CG1-CG 3.75Å; L418-L499 PolarHBondContact O-N 2.74Å; A420-L499 WeakPolarHBondContact CB-O 3.4Å; A420-L499 PolarHBondContact N-O 3.37Å; L426-L499 HydrophobicContact CD1-CB 4.07Å; L426-L499 HydrophobicContact CD1-CD1 4.24Å; L426-L499 HydrophobicContact CD1-CG 4.4Å; V429-L499 HydrophobicContact CG1-CD1 4.05Å; V429-L499 HydrophobicContact CG2-CD1 4.49Å; A470-L499 HydrophobicContact CB-CD1 4.39Å; A470-L499 HydrophobicContact CB-CD2 4Å; L472-L499 HydrophobicContact CB-CD1 4Å; Y475-L499 HydrophobicContact CD1-CB 3.62Å; Y475-L499 HydrophobicContact CE1-CB 4.48Å; Y475-L499 HydrophobicContact CG-CB 4.12Å; F497-L499 HydrophobicContact CB-CD2 4.47Å
500	M	96.7	Very high	82.9	Confident	117 Å²	117	69.7 Å²	69.7	58%	0.576	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.8	177.4	-176.8	164.5	-89.6	0	0	109.5	A420 Y475 W476	A420-M500 HydrophobicContact CB-CB 4.48Å; Y475-M500 WeakPolarHBondContact CA-O 3.48Å; W476-M500 PolarHBondContact N-O 3.39Å
501	P	95.1	Very high	80.5	Confident	15 Å²	15	73.8 Å²	73.8	10%	0.097	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	140.2	172.5	-22.9	31.5	0	0	0	111	Y475	Y475-P501 HydrophobicContact CD1-CB 4.36Å; Y475-P501 HydrophobicContact CD1-CG 4.03Å; Y475-P501 HydrophobicContact CE1-CB 4.17Å; Y475-P501 HydrophobicContact CE1-CG 3.52Å
502	I	92.3	Very high	78	Confident	42 Å²	42	73.5 Å²	73.5	22%	0.215	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-74.3	126.6	171.6	-57.5	172.6	0	0	0	107.2	G474 W476 Y506 F507	G474-I502 PolarHBondContact O-N 2.94Å; W476-I502 HydrophobicContact CD2-CD1 4.47Å; W476-I502 HydrophobicContact CD2-CG1 3.99Å; W476-I502 HydrophobicContact CG-CG1 4.05Å; W476-I502 HydrophobicContact CZ2-CG1 4.41Å; W476-I502 HydrophobicContact CZ2-CG2 4.2Å; I502-Y506 HydrophobicContact CG2-CD2 4.48Å; I502-F507 HydrophobicContact CB-CE2 4.33Å; I502-F507 HydrophobicContact CG2-CE2 3.59Å; I502-F507 HydrophobicContact CG2-CZ 4.1Å
503	D	81.5	Confident	75.6	Confident	94 Å²	94	77 Å²	77	50%	0.503	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-69.6	139.1	177.4	-156	-11.5	0	0	0	109.9	S505 Y506	D503-S505 PolarHBondContact O-N 3.15Å; D503-Y506 HydrophobicContact CB-CD2 4.11Å; D503-Y506 HydrophobicContact CB-CE2 4.39Å; D503-Y506 PolarHBondContact O-N 3.27Å
504	S	66.6	Low	72.8	Confident	97 Å²	97	79.5 Å²	79.5	68%	0.678	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.5	-177.2	54.8	0	0	0	0	112.4	Y506 F507	S504-Y506 PolarHBondContact O-N 3.15Å; S504-Y506 VanDerWaalsContact O-N 3.12Å; S504-F507 PolarHBondContact O-N 3.4Å; S504-F507 VanDerWaalsContact O-N 3.11Å
505	S	60.4	Low	70	Confident	76 Å²	76	81 Å²	81	53%	0.531	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-62	-13.5	172.3	64.2	0	0	0	0	114.5	D503 F507 L513	D503-S505 PolarHBondContact O-N 3.15Å; S505-F507 VanDerWaalsContact C-N 3.35Å; S505-L513 WeakPolarHBondContact O-CD1 3.31Å
506	Y	57.1	Low	66.9	Low	107 Å²	107	87.2 Å²	87.2	42%	0.42	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-85.8	-3.2	175.3	-76.4	-82.1	0	0	0	114	I502 D503 S504 P512 L513	I502-Y506 HydrophobicContact CG2-CD2 4.48Å; D503-Y506 HydrophobicContact CB-CD2 4.11Å; D503-Y506 HydrophobicContact CB-CE2 4.39Å; D503-Y506 PolarHBondContact O-N 3.27Å; S504-Y506 PolarHBondContact O-N 3.15Å; S504-Y506 VanDerWaalsContact O-N 3.12Å; Y506-P512 CarbonylContact O-C 3.52Å; Y506-P512 WeakPolarHBondContact O-CA 3.28Å; Y506-L513 WeakPolarHBondContact O-CB 3.45Å; Y506-L513 PolarHBondContact O-N 2.83Å
507	F	56.7	Low	64.1	Low	84 Å²	84	89.6 Å²	89.6	37%	0.368	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.7	177.4	-60.3	-86.9	0	0	0	110.1	I502 S504 S505 Q511 P512	I502-F507 HydrophobicContact CB-CE2 4.33Å; I502-F507 HydrophobicContact CG2-CE2 3.59Å; I502-F507 HydrophobicContact CG2-CZ 4.1Å; S504-F507 PolarHBondContact O-N 3.4Å; S504-F507 VanDerWaalsContact O-N 3.11Å; S505-F507 VanDerWaalsContact C-N 3.35Å; F507-Q511 WeakPolarHBondContact CA-O 3.38Å; F507-P512 HydrophobicContact CD1-CB 4.27Å; F507-P512 HydrophobicContact CE1-CB 3.89Å; F507-P512 HydrophobicContact CE1-CG 4.42Å
508	I	53	Low	61	Low	113 Å²	113	97.3 Å²	97.3	58%	0.579	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.2	163.1	-60.3	178.1	0	0	0	105.5	G510 Q511 L513	I508-G510 VanDerWaalsContact C-N 3.29Å; I508-G510 PolarHBondContact O-N 2.79Å; I508-Q511 PolarHBondContact N-O 2.74Å; I508-Q511 PolarHBondContact O-N 2.98Å; I508-L513 HydrophobicContact CD1-CD1 4.11Å; I508-L513 HydrophobicContact CD1-CD2 4.33Å; I508-L513 HydrophobicContact CG1-CD1 4.06Å; I508-L513 HydrophobicContact CG1-CG 4.5Å
509	D	55.1	Low	58.1	Low	163 Å²	163	100.1 Å²	100.1	87%	0.872	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	53	38.7	-177	-61	-24.6	0	0	0	115	Q511	D509-Q511 VanDerWaalsContact C-N 3.28Å; D509-Q511 PolarHBondContact O-N 2.87Å
510	G	55	Low	55.4	Low	68 Å²	68	107.2 Å²	107.2	70%	0.701	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.5	5	174.1	0	0	0	0	0	115.6	I508	I508-G510 VanDerWaalsContact C-N 3.29Å; I508-G510 PolarHBondContact O-N 2.79Å
511	Q	43.8	Very low	52.7	Low	151 Å²	151	108.4 Å²	108.4	71%	0.706	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.5	139.7	175.2	-68.3	-166.7	-19	0	0	112.7	F507 I508 D509	F507-Q511 WeakPolarHBondContact CA-O 3.38Å; I508-Q511 PolarHBondContact N-O 2.74Å; I508-Q511 PolarHBondContact O-N 2.98Å; D509-Q511 VanDerWaalsContact C-N 3.28Å; D509-Q511 PolarHBondContact O-N 2.87Å
512	P	43	Very low	50.3	Low	81 Å²	81	115.6 Å²	115.6	53%	0.526	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.8	133.8	179.5	26.5	-31.9	0	0	0	112.4	Y506 F507 T514	Y506-P512 CarbonylContact O-C 3.52Å; Y506-P512 WeakPolarHBondContact O-CA 3.28Å; F507-P512 HydrophobicContact CD1-CB 4.27Å; F507-P512 HydrophobicContact CE1-CB 3.89Å; F507-P512 HydrophobicContact CE1-CG 4.42Å; P512-T514 PolarHBondContact O-N 2.79Å
513	L	45.7	Very low	47.9	Very low	82 Å²	82	120.5 Å²	120.5	43%	0.429	67%	0.668	S	S	.	*	S	Bend	trans	-66.5	17.2	-173	-96	162.5	0	0	0	117.1	S505 Y506 I508	S505-L513 WeakPolarHBondContact O-CD1 3.31Å; Y506-L513 WeakPolarHBondContact O-CB 3.45Å; Y506-L513 PolarHBondContact O-N 2.83Å; I508-L513 HydrophobicContact CD1-CD1 4.11Å; I508-L513 HydrophobicContact CD1-CD2 4.33Å; I508-L513 HydrophobicContact CG1-CD1 4.06Å; I508-L513 HydrophobicContact CG1-CG 4.5Å
514	T	38.9	Very low	46.2	Very low	98 Å²	98	123.2 Å²	123.2	60%	0.601	68%	0.683	S	S	*	*			trans	-123.1	61.9	-177.9	57.6	0	0	0	0	113	P512	P512-T514 PolarHBondContact O-N 2.79Å
515	M	37.5	Very low	45.4	Very low	178 Å²	178	125.2 Å²	125.2	88%	0.877	69%	0.686	S	S	*	*			trans	-148.1	19.9	163.7	-85	-65.5	-83.4	0	0	113.4
516	I	34.5	Very low	44.7	Very low	146 Å²	146	129 Å²	129	75%	0.749	70%	0.7	S	S	*	*			trans	-100.9	82	171.8	-53.3	176.9	0	0	0	108.4	H518	I516-H518 PolarHBondContact O-N 2.88Å
517	S	37.6	Very low	44.1	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	72%	0.716	S	S	*	*			trans	-73.4	114.5	159.1	56.4	0	0	0	0	108	S519	S517-S519 PolarHBondContact O-N 2.98Å; S517-S519 VanDerWaalsContact O-N 3.09Å
518	H	33.8	Very low	43.7	Very low	166 Å²	166	130.3 Å²	130.3	77%	0.769	74%	0.736	S	S	*	*			trans	-49.9	111.3	165.9	-84.3	-38.8	0	0	0	111	I516	I516-H518 PolarHBondContact O-N 2.88Å
519	S	38.6	Very low	43.6	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	75%	0.747	S	S	*	*			trans	-88.9	102	146.5	53.9	0	0	0	0	107	S517	S517-S519 PolarHBondContact O-N 2.98Å; S517-S519 VanDerWaalsContact O-N 3.09Å
520	M	41.3	Very low	43.3	Very low	149 Å²	149	131.1 Å²	131.1	73%	0.734	74%	0.741	S	S	*	*			trans	-67.4	132.2	162.7	-78.5	167.3	159.1	0	0	108.8
521	D	39.2	Very low	43	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	74%	0.743	S	S	*	*			trans	52	109	140.6	-46.6	-28	0	0	0	118.5
522	D	43.8	Very low	43.2	Very low	167 Å²	167	133.5 Å²	133.5	89%	0.893	74%	0.743	S	S	*	*				-160	116.1	124.1	-104.6	-22.2	0	0	0	110.6
523	D	43.6	Very low	43.5	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	76%	0.755	S	S	*	*			trans	-68.5	138.2	169.5	-66	-51.9	0	0	0	110.7
524	N	45.9	Very low	43.4	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	77%	0.771	S	S	*	*				145	139.4	124.7	-74.2	-53.7	0	0	0	115
525	D	48.4	Very low	43.8	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	79%	0.786	S	S	*	*			trans	82.4	97.2	145.9	-104.3	12.2	0	0	0	120.3
526	D	46.4	Very low	44	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	79%	0.786	S	S	*	*				50.8	124.9	112.8	-66	-0.9	0	0	0	120.4
527	G	44.3	Very low	44.4	Very low	72 Å²	72	143.5 Å²	143.5	74%	0.742	79%	0.788	S	S	*	*			trans	148.3	83.1	149.3	0	0	0	0	0	116.3
528	D	48	Very low	44.4	Very low	147 Å²	147	146.4 Å²	146.4	79%	0.786	79%	0.789	S	S	*	*			trans	4.9	128.1	141	-59.3	-28.3	0	0	0	118.6
529	D	50.8	Low	44.5	Very low	155 Å²	155	143.9 Å²	143.9	83%	0.829	79%	0.79	S	S	*	*				166	145.5	101.3	-91.2	-32.2	0	0	0	113.1
530	D	48.2	Very low	44	Very low	138 Å²	138	143.3 Å²	143.3	74%	0.738	79%	0.786	S	S	*	*			trans	-52.5	149.4	-177.2	-64.3	-51.2	0	0	0	116.7
531	D	49.9	Very low	43.8	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	79%	0.791	S	S	*	*				167	117.6	108.4	-90.6	-37.5	0	0	0	113.7
532	N	46.7	Very low	43.5	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	80%	0.797	S	S	*	*			trans	25.9	127.5	136.5	-56.5	-53.5	0	0	0	121.4
533	D	49.2	Very low	43	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	79%	0.793	S	S	*	*				169.1	118.8	103.1	-86.3	-27.1	0	0	0	111.6
534	D	45.6	Very low	42.5	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	80%	0.799	S	S	*	*			trans	14.2	125.7	144.7	-55.1	-24.5	0	0	0	120.9
535	D	47.2	Very low	41.9	Very low	171 Å²	171	149.5 Å²	149.5	91%	0.914	80%	0.8	S	S	*	*				-162.7	109.4	127.4	-91.2	-30.4	0	0	0	109.7
536	E	39.9	Very low	41.1	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	81%	0.807	S	S	*	*			trans	-73.6	132.5	166.8	-63.9	-179	151.7	0	0	109.4
537	D	43.2	Very low	40.3	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	80%	0.8	S	S	*	*			trans	-172.5	114.4	130.9	-94.8	-22.8	0	0	0	113.7
538	E	38.7	Very low	39.8	Very low	171 Å²	171	153.3 Å²	153.3	80%	0.799	80%	0.802	S	S	*	*			trans	64.8	106.7	136.5	-68.6	-169.9	147.4	0	0	123.5
539	S	35.1	Very low	39.2	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	80%	0.797	S	S	*	*				92.2	84.9	129.1	74.3	0	0	0	0	118.5
540	S	29.2	Very low	38.8	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.4	135.2	154	53.4	0	0	0	0	110.5	R542	S540-R542 PolarHBondContact O-N 3.44Å
541	P	36.7	Very low	38.4	Very low	130 Å²	130	146.3 Å²	146.3	84%	0.844	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75.4	119.8	164.3	0.3	16.3	0	0	0	108.4	E543	P541-E543 PolarHBondContact O-N 3.07Å
542	R	32.9	Very low	38	Very low	232 Å²	232	141.4 Å²	141.4	88%	0.875	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.7	126.9	173.4	-72.1	176.5	176.4	167.4	-1.3	111.2	S540	S540-R542 PolarHBondContact O-N 3.44Å
543	E	33.7	Very low	38.2	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	72%	0.717	S	S	*	*			trans	23.6	117.2	135.8	-64.8	178.6	157.1	0	0	119.2	P541 E545	P541-E543 PolarHBondContact O-N 3.07Å; E543-E545 PolarHBondContact O-N 3.05Å
544	N	31.9	Very low	38.3	Very low	167 Å²	167	137.6 Å²	137.6	89%	0.893	71%	0.709	S	S	*	*			trans	1.1	100.3	144.1	-78.4	-10.4	0	0	0	116.4
545	E	34.7	Very low	38.8	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	68%	0.679	S	S	*	*			trans	-101.9	134.3	148.5	-78.7	-175.4	159.8	0	0	108.7	E543 V547	E543-E545 PolarHBondContact O-N 3.05Å; E545-V547 PolarHBondContact O-N 3.25Å
546	N	30.8	Very low	39.6	Very low	163 Å²	163	124.3 Å²	124.3	87%	0.872	64%	0.636	S	S	*	*			trans	-55.3	107.8	178.2	-62.4	-46.4	0	0	0	110.6	E548	N546-E548 PolarHBondContact O-N 2.67Å
547	V	30.4	Very low	40.3	Very low	113 Å²	113	118 Å²	118	69%	0.685	62%	0.615	S	S	*	*			trans	-84.8	106.8	170.3	-179.8	0	0	0	0	107.4	E545	E545-V547 PolarHBondContact O-N 3.25Å
548	E	32.2	Very low	40.8	Very low	169 Å²	169	111.7 Å²	111.7	79%	0.79	58%	0.581	S	S	*	*			trans	-58.1	136.1	166.2	-80.7	-179.7	148.2	0	0	109.3	N546 D550	N546-E548 PolarHBondContact O-N 2.67Å; E548-D550 PolarHBondContact O-N 2.98Å
549	I	36.3	Very low	40.8	Very low	134 Å²	134	108.3 Å²	108.3	69%	0.687	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	74.6	-179.9	-58.8	165.5	0	0	0	108.3
550	D	43	Very low	41.1	Very low	90 Å²	90	108.1 Å²	108.1	48%	0.481	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.5	-8.4	177.6	-157.9	10.1	0	0	0	113.5	E548 A552 N553	E548-D550 PolarHBondContact O-N 2.98Å; D550-A552 PolarHBondContact O-N 3.39Å; D550-N553 WeakPolarHBondContact O-CB 3.4Å; D550-N553 PolarHBondContact O-N 3.11Å; D550-N553 PolarHBondContact OD1-ND2 2.85Å
551	D	40	Very low	41.6	Very low	69 Å²	69	110.7 Å²	110.7	37%	0.369	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	-23.1	-171.3	-83.5	-37.8	0	0	0	115	N553 R554	D551-N553 PolarHBondContact O-N 3.05Å; D551-R554 WeakPolarHBondContact O-CB 3Å; D551-R554 PolarHBondContact O-N 2.61Å; D551-R554 VanDerWaalsContact O-N 3.11Å; D551-R554 IonicContact OD1-CZ 3.51Å; D551-R554 IonicContact OD1-NE 3.71Å; D551-R554 IonicContact OD1-NH1 4Å; D551-R554 PolarHBondContact OD1-NH1 3.14Å
552	A	40.5	Very low	41.8	Very low	36 Å²	36	109.6 Å²	109.6	30%	0.298	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-23.6	173	0	0	0	0	0	112.4	D550 R554	D550-A552 PolarHBondContact O-N 3.39Å; A552-R554 VanDerWaalsContact C-N 3.28Å; A552-R554 PolarHBondContact O-N 3.49Å
553	N	50.7	Low	42.1	Very low	34 Å²	34	99.3 Å²	99.3	18%	0.182	51%	0.514	C	S	.	.	H	α-helix	trans	-70	-23	175.8	-68	-31.8	0	0	0	112.6	D550 D551 A557 I558	D550-N553 WeakPolarHBondContact O-CB 3.4Å; D550-N553 PolarHBondContact O-N 3.11Å; D550-N553 PolarHBondContact OD1-ND2 2.85Å; D551-N553 PolarHBondContact O-N 3.05Å; N553-A557 WeakPolarHBondContact O-CA 3.37Å; N553-A557 PolarHBondContact O-N 3.3Å; N553-I558 PolarHBondContact O-N 2.03Å
554	R	52.1	Low	42.7	Very low	164 Å²	164	92.6 Å²	92.6	62%	0.619	48%	0.483	S	S	*	.	H	α-helix	trans	-68.9	-42.1	-179.9	-82.5	-174.3	168.5	145.6	-7.4	113.1	D551 A552 F556 A557	D551-R554 WeakPolarHBondContact O-CB 3Å; D551-R554 PolarHBondContact O-N 2.61Å; D551-R554 VanDerWaalsContact O-N 3.11Å; D551-R554 IonicContact OD1-CZ 3.51Å; D551-R554 IonicContact OD1-NE 3.71Å; D551-R554 IonicContact OD1-NH1 4Å; D551-R554 PolarHBondContact OD1-NH1 3.14Å; A552-R554 VanDerWaalsContact C-N 3.28Å; A552-R554 PolarHBondContact O-N 3.49Å; R554-F556 VanDerWaalsContact C-N 3.32Å; R554-F556 PolarHBondContact O-N 3.49Å; R554-A557 PolarHBondContact O-N 3.21Å
555	Y	55.7	Low	43.1	Very low	34 Å²	34	89.7 Å²	89.7	13%	0.133	47%	0.473	C	S	.	.	H	α-helix	trans	-63.5	-38	-170	-163.2	-84.9	0	0	0	113.1	P221 L242 M245 S248 L251	P221-Y555 HydrophobicContact CB-CE1 4.23Å; P221-Y555 WeakPolarHBondContact CB-OH 3.1Å; P221-Y555 HydrophobicContact CG-CD1 4.34Å; P221-Y555 HydrophobicContact CG-CE1 3.34Å; P221-Y555 WeakPolarHBondContact CG-OH 3.37Å; L242-Y555 HydrophobicContact CD1-CD1 4.08Å; L242-Y555 HydrophobicContact CD1-CD2 4.24Å; L242-Y555 HydrophobicContact CD1-CE1 4.33Å; L242-Y555 HydrophobicContact CD1-CE2 4.49Å; L242-Y555 HydrophobicContact CD1-CG 4Å; M245-Y555 HydrophobicContact CB-CE2 4.42Å; S248-Y555 VanDerWaalsContact CB-CZ 3.41Å; S248-Y555 WeakPolarHBondContact CB-OH 3.31Å; S248-Y555 WeakPolarHBondContact OG-CE2 3.41Å; S248-Y555 PolarHBondContact OG-OH 3.34Å; L251-Y555 HydrophobicContact CD1-CD1 4.14Å; L251-Y555 HydrophobicContact CD1-CE1 3.68Å; L251-Y555 HydrophobicContact CD2-CE1 4.29Å; L251-Y555 HydrophobicContact CG-CE1 4.4Å
556	F	64.7	Low	43.5	Very low	3 Å²	3	85.1 Å²	85.1	1%	0.013	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.5	177.7	-70.9	-78.3	0	0	0	113.6	P221 L242 L251 R256 R260 L263 F366 R554 I558	P221-F556 HydrophobicContact CG-CZ 4.34Å; L242-F556 HydrophobicContact CD1-CE2 4.46Å; L242-F556 HydrophobicContact CD2-CD2 3.96Å; L242-F556 HydrophobicContact CD2-CE2 3.68Å; L251-F556 HydrophobicContact CD1-CD1 3.86Å; L251-F556 HydrophobicContact CD1-CE1 3.35Å; L251-F556 HydrophobicContact CD1-CZ 4.01Å; R256-F556 HydrophobicContact CG-CD1 4.21Å; R260-F556 HydrophobicContact CB-CB 4.29Å; L263-F556 HydrophobicContact CD1-CD2 3.57Å; L263-F556 HydrophobicContact CD1-CE2 4.01Å; L263-F556 HydrophobicContact CD1-CG 4.49Å; F366-F556 HydrophobicContact CE2-CE2 4.16Å; F366-F556 HydrophobicContact CE2-CZ 4.18Å; F366-F556 AromaticContact CZ-CE2 3.69Å; F366-F556 HydrophobicContact CZ-CE2 3.69Å; F366-F556 AromaticContact CZ-CZ 3.76Å; F366-F556 HydrophobicContact CZ-CZ 3.76Å; R554-F556 VanDerWaalsContact C-N 3.32Å; R554-F556 PolarHBondContact O-N 3.49Å; F556-I558 HydrophobicContact CB-CG1 4.47Å; F556-I558 PolarHBondContact O-N 3.34Å
557	A	54.5	Low	44	Very low	52 Å²	52	78 Å²	78	43%	0.43	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.9	61.2	-178.2	0	0	0	0	0	112.3	N553 R554 N559	N553-A557 WeakPolarHBondContact O-CA 3.37Å; N553-A557 PolarHBondContact O-N 3.3Å; R554-A557 PolarHBondContact O-N 3.21Å; A557-N559 PolarHBondContact O-N 2.54Å
558	I	52.3	Low	44.1	Very low	15 Å²	15	78.6 Å²	78.6	8%	0.077	41%	0.414	C	S	.	.			trans	-71.4	79.5	176.6	-53.4	-176.5	0	0	0	108.2	R260 L264 N553 F556 V571	R260-I558 HydrophobicContact CG-CD1 4.34Å; R260-I558 HydrophobicContact CG-CG1 4.13Å; L264-I558 HydrophobicContact CD2-CD1 4.01Å; L264-I558 HydrophobicContact CD2-CG2 4.06Å; L264-I558 HydrophobicContact CG-CD1 4.42Å; N553-I558 PolarHBondContact O-N 2.03Å; F556-I558 HydrophobicContact CB-CG1 4.47Å; F556-I558 PolarHBondContact O-N 3.34Å; I558-V571 HydrophobicContact CG2-CG2 3.91Å
559	N	39.7	Very low	44.2	Very low	100 Å²	100	74.2 Å²	74.2	54%	0.535	39%	0.393	S	S	.	.			trans	-79.1	140.9	172.2	-73	-27.5	0	0	0	109.6	A557 D561 D562	A557-N559 PolarHBondContact O-N 2.54Å; N559-D561 PolarHBondContact O-N 3.21Å; N559-D562 PolarHBondContact O-N 3.37Å
560	N	40.1	Very low	44.3	Very low	107 Å²	107	70 Å²	70	57%	0.572	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-57.3	-22.5	-179.4	-79.5	-20.5	0	0	0	114.1	I563	N560-I563 WeakPolarHBondContact OD1-CD1 3.05Å; N560-I563 WeakPolarHBondContact O-CG1 3.2Å; N560-I563 VanDerWaalsContact O-CG1 3.3Å; N560-I563 WeakPolarHBondContact O-CB 3.13Å; N560-I563 HydrophobicContact CB-CD1 4.13Å; N560-I563 WeakPolarHBondContact O-CD1 3.46Å
561	D	40	Very low	43.6	Very low	158 Å²	158	67.5 Å²	67.5	85%	0.845	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-81.7	-18.5	-176.1	-65.8	-34.2	0	0	0	114.1	N559	N559-D561 PolarHBondContact O-N 3.21Å
562	D	41.6	Very low	43.1	Very low	106 Å²	106	71.8 Å²	71.8	57%	0.567	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-100.3	13.8	178.9	-66.7	-44.6	0	0	0	112.3	R260 N559 I564	R260-D562 VanDerWaalsContact CZ-O 3.29Å; R260-D562 PolarHBondContact NH1-O 3.01Å; R260-D562 PolarHBondContact NH2-O 3.46Å; N559-D562 PolarHBondContact O-N 3.37Å; D562-I564 PolarHBondContact O-N 3.4Å
563	I	39.5	Very low	43.3	Very low	17 Å²	17	73.6 Å²	73.6	9%	0.087	39%	0.389	C	S	.	.			trans	-68.4	125.2	-177.7	-74.8	-177.4	0	0	0	109.2	N560 P565 V567 V571	N560-I563 WeakPolarHBondContact OD1-CD1 3.05Å; N560-I563 WeakPolarHBondContact O-CG1 3.2Å; N560-I563 VanDerWaalsContact O-CG1 3.3Å; N560-I563 WeakPolarHBondContact O-CB 3.13Å; N560-I563 HydrophobicContact CB-CD1 4.13Å; N560-I563 WeakPolarHBondContact O-CD1 3.46Å; I563-P565 WeakPolarHBondContact O-CD 3.42Å; I563-V567 HydrophobicContact CG2-CB 3.94Å; I563-V571 HydrophobicContact CD1-CG2 3.83Å
564	I	46.3	Very low	42.9	Very low	35 Å²	35	75.6 Å²	75.6	18%	0.179	40%	0.4	C	S	.	.			trans	-51.3	118.5	161.1	-62.3	169.3	0	0	0	105.2	Y107 D562 E566 V567	Y107-I564 HydrophobicContact CD2-CD1 3.76Å; Y107-I564 HydrophobicContact CE2-CD1 3.9Å; D562-I564 PolarHBondContact O-N 3.4Å; I564-E566 PolarHBondContact O-N 3.11Å; I564-V567 HydrophobicContact CG2-CG2 4.43Å; I564-V567 PolarHBondContact O-N 3.46Å; I564-V567 HydrophobicContact CB-CG2 3.91Å
565	P	38.9	Very low	42.3	Very low	105 Å²	105	70.7 Å²	70.7	68%	0.682	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-0.6	-158.5	-31.3	33.8	0	0	0	119.4	I563	I563-P565 WeakPolarHBondContact O-CD 3.42Å
566	E	45.1	Very low	41.6	Very low	83 Å²	83	72.9 Å²	72.9	39%	0.388	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	13.2	173.7	-62.8	109.3	149.1	0	0	114.3	R105 I564 D568	R105-E566 IonicContact CZ-OE1 3.85Å; R105-E566 IonicContact CZ-OE2 2.66Å; R105-E566 IonicContact NH1-OE1 3.45Å; R105-E566 PolarHBondContact NH1-OE1 3Å; R105-E566 IonicContact NH1-OE2 3.89Å; R105-E566 PolarHBondContact NH1-OE2 3.33Å; R105-E566 IonicContact NH2-OE2 3.99Å; R105-E566 PolarHBondContact NH2-OE2 3.04Å; I564-E566 PolarHBondContact O-N 3.11Å; E566-D568 VanDerWaalsContact C-N 3.34Å
567	V	40.6	Very low	40.1	Very low	13 Å²	13	77.3 Å²	77.3	8%	0.079	43%	0.428	C	S	.	.			trans	-93.3	9.2	175.2	-174.6	0	0	0	0	112.3	L264 I563 I564 Q569 Y570	L264-V567 HydrophobicContact CB-CG1 4.06Å; L264-V567 HydrophobicContact CD1-CG1 4.09Å; L264-V567 HydrophobicContact CD2-CG1 3.66Å; L264-V567 HydrophobicContact CG-CG1 4.14Å; I563-V567 HydrophobicContact CG2-CB 3.94Å; I564-V567 HydrophobicContact CG2-CG2 4.43Å; I564-V567 PolarHBondContact O-N 3.46Å; I564-V567 HydrophobicContact CB-CG2 3.91Å; V567-Q569 PolarHBondContact O-N 3.26Å; V567-Y570 HydrophobicContact CB-CD2 4.17Å; V567-Y570 HydrophobicContact CG1-CD2 3.62Å; V567-Y570 HydrophobicContact CG1-CG 4.01Å; V567-Y570 HydrophobicContact CG2-CD2 4.45Å; V567-Y570 PolarHBondContact O-N 2.92Å
568	D	32	Very low	39.2	Very low	126 Å²	126	78.9 Å²	78.9	67%	0.674	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-13.1	163.4	-83.5	-7.4	0	0	0	113.4	E566	E566-D568 VanDerWaalsContact C-N 3.34Å
569	Q	34.5	Very low	38.2	Very low	78 Å²	78	83.5 Å²	83.5	36%	0.364	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.9	178.6	-53.3	177.6	43.4	0	0	113.8	F453 V567	F453-Q569 HydrophobicContact CD2-CB 4.43Å; F453-Q569 HydrophobicContact CE2-CB 4.05Å; F453-Q569 WeakPolarHBondContact CG-O 3.04Å; F453-Q569 HydrophobicContact CZ-CB 4.15Å; V567-Q569 PolarHBondContact O-N 3.26Å
570	Y	37.4	Very low	38.1	Very low	46 Å²	46	82.2 Å²	82.2	18%	0.18	45%	0.446	C	S	.	.	S	Bend	trans	-123.7	-0.1	-170	-61.6	-88.4	0	0	0	115	H130 L264 P266 F453 V567	H130-Y570 WeakPolarHBondContact CB-OH 3.5Å; L264-Y570 WeakPolarHBondContact O-CD1 3.18Å; L264-Y570 WeakPolarHBondContact O-CE1 3.17Å; P266-Y570 HydrophobicContact CG-CE1 4.37Å; F453-Y570 AromaticContact CD1-CD1 3.7Å; F453-Y570 HydrophobicContact CD1-CD1 3.7Å; F453-Y570 AromaticContact CD1-CE1 3.35Å; F453-Y570 HydrophobicContact CD1-CE1 3.35Å; F453-Y570 AromaticContact CD1-CZ 3.97Å; F453-Y570 HydrophobicContact CE1-CD1 4.09Å; F453-Y570 AromaticContact CE1-CE1 3.35Å; F453-Y570 HydrophobicContact CE1-CE1 3.35Å; F453-Y570 HydrophobicContact CE1-CE2 4.23Å; F453-Y570 AromaticContact CE1-CZ 3.47Å; F453-Y570 VanDerWaalsContact CE1-CZ 3.47Å; V567-Y570 HydrophobicContact CB-CD2 4.17Å; V567-Y570 HydrophobicContact CG1-CD2 3.62Å; V567-Y570 HydrophobicContact CG1-CG 4.01Å; V567-Y570 HydrophobicContact CG2-CD2 4.45Å; V567-Y570 PolarHBondContact O-N 2.92Å
571	V	29.5	Very low	37.9	Very low	37 Å²	37	80.2 Å²	80.2	22%	0.224	44%	0.436	C	S	.	.			trans	-101.7	98.6	170.1	-173.8	0	0	0	0	107.2	I558 I563	I558-V571 HydrophobicContact CG2-CG2 3.91Å; I563-V571 HydrophobicContact CD1-CG2 3.83Å
572	V	29.9	Very low	37.7	Very low	158 Å²	158	73.1 Å²	73.1	96%	0.958	40%	0.398	S	S	*	.			trans	-117.2	0	155.7	178.4	0	0	0	0	106.5

Retrieved 572 of 572 residues in 245 ms (Link to these results)

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