A0A087XKU3_POEFO Loading...

Caspase-3

AlphaFold DB , UniProt , Accession A0A087XKU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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	39.5	Very low	29.8	Very low	248 Å²	248	158.9 Å²	158.9	100%	1.222	87%	0.872	S	S	*	*				0	101.9	0	-78.2	172.9	161.8	0	0	107.6
2	A	29.2	Very low	29.6	Very low	94 Å²	94	160.8 Å²	160.8	78%	0.777	87%	0.865	S	S	*	*			trans	-70.8	166.6	161.6	0	0	0	0	0	108.4
3	E	28.3	Very low	30	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	84%	0.835	S	S	*	*			cis	-150.4	136.9	28	-64.9	169.9	125.5	0	0	107.9
4	N	29.7	Very low	30.3	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	81%	0.805	S	S	*	*				44.2	96.4	86.3	-92.4	-0.8	0	0	0	116.9
5	G	28.1	Very low	30.9	Very low	86 Å²	86	140.9 Å²	140.9	89%	0.887	76%	0.762	S	S	*	*			trans	-104.8	98.2	162.5	0	0	0	0	0	110.7
6	K	30.1	Very low	31.2	Very low	186 Å²	186	137.5 Å²	137.5	81%	0.809	74%	0.744	S	S	*	*			trans	-73.9	150.2	-177.5	-81	176.2	173	176.1	0	113.5
7	D	29.6	Very low	31.3	Very low	159 Å²	159	131.4 Å²	131.4	85%	0.85	72%	0.716	S	S	*	*			trans	-28.7	128.8	159.7	-81.1	-52.8	0	0	0	114.9	N9	D7-N9 PolarHBondContact O-N 3.12Å
8	K	30.6	Very low	31.1	Very low	209 Å²	209	130.4 Å²	130.4	91%	0.909	72%	0.72	S	S	*	*			trans	-82.7	105.8	162.3	-82.6	-175.3	175.3	179.6	0	109	Q10	K8-Q10 PolarHBondContact O-N 2.8Å
9	N	27.2	Very low	30.9	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	73%	0.725	S	S	*	*			trans	-42.2	115.3	168.2	-91.2	-18.9	0	0	0	112.4	D7 A11	D7-N9 PolarHBondContact O-N 3.12Å; N9-A11 PolarHBondContact O-N 2.99Å
10	Q	27.5	Very low	30.8	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	73%	0.729	S	S	*	*			trans	-66.2	104	151.4	-82.3	176.6	-5.7	0	0	107.7	K8 K12	K8-Q10 PolarHBondContact O-N 2.8Å; Q10-K12 PolarHBondContact O-N 3.01Å
11	A	27.6	Very low	30.5	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	73%	0.73	S	S	*	*			trans	-68.6	100.6	167	0	0	0	0	0	108.3	N9 D13	N9-A11 PolarHBondContact O-N 2.99Å; A11-D13 PolarHBondContact O-N 3.01Å
12	K	28.3	Very low	30	Very low	182 Å²	182	129.9 Å²	129.9	79%	0.791	71%	0.71	S	S	*	*			trans	-65.3	109.8	163	-85.5	-179.9	174.4	177.6	0	107.5	Q10 T14	Q10-K12 PolarHBondContact O-N 3.01Å; K12-T14 PolarHBondContact O-N 3.09Å
13	D	34.9	Very low	29.9	Very low	88 Å²	88	135.3 Å²	135.3	47%	0.471	72%	0.716	S	S	.	*			trans	-87.6	94	170.3	-164.4	3.1	0	0	0	107.7	A11	A11-D13 PolarHBondContact O-N 3.01Å
14	T	33.2	Very low	29.9	Very low	69 Å²	69	132.4 Å²	132.4	42%	0.423	72%	0.716	S	S	.	*			trans	-105.9	104	174.5	32.8	0	0	0	0	108	K12	K12-T14 PolarHBondContact O-N 3.09Å
15	V	40	Very low	29.7	Very low	27 Å²	27	130.7 Å²	130.7	16%	0.164	72%	0.715	C	S	.	*			trans	-95.6	98.1	170.3	-68.3	0	0	0	0	108.4	R220 N221 A263	V15-R220 WeakPolarHBondContact CG2-O 3.46Å; V15-N221 PolarHBondContact O-ND2 3.22Å; V15-A263 WeakPolarHBondContact CA-O 3.43Å
16	D	35.4	Very low	29.7	Very low	86 Å²	86	132.7 Å²	132.7	46%	0.46	72%	0.716	S	S	.	*			trans	-96.3	135.7	-176.4	-72.5	-36.8	0	0	0	111	N221 A263	D16-N221 PolarHBondContact OD1-ND2 2.71Å; D16-N221 VanDerWaalsContact OD1-ND2 3.11Å; D16-A263 PolarHBondContact N-O 2.72Å; D16-A263 WeakPolarHBondContact O-CB 3.32Å
17	A	33.9	Very low	29.6	Very low	33 Å²	33	133.9 Å²	133.9	27%	0.273	72%	0.721	S	S	.	*			trans	-104.6	128.8	168.8	0	0	0	0	0	108.2
18	S	27.2	Very low	29.7	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-78.4	136.7	179.3	56.9	0	0	0	0	111.1
19	K	27.6	Very low	29.8	Very low	184 Å²	184	127.1 Å²	127.1	80%	0.8	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-87.5	119	178.2	-72.5	-177.5	178.9	179.4	0	110.4
20	F	28.4	Very low	29.9	Very low	186 Å²	186	124.8 Å²	124.8	82%	0.816	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-87.7	126.5	166.9	-161.7	-102.2	0	0	0	109.8	L22	F20-L22 HydrophobicContact CD1-CD1 4.32Å; F20-L22 HydrophobicContact CD1-CG 4.18Å; F20-L22 HydrophobicContact CE1-CD1 4.15Å; F20-L22 HydrophobicContact CE1-CD2 4.22Å; F20-L22 HydrophobicContact CE1-CG 3.89Å
21	S	25.4	Very low	29.8	Very low	107 Å²	107	120.1 Å²	120.1	75%	0.748	72%	0.717	S	S	*	*			trans	-109.7	120.1	-179.1	-175.4	0	0	0	0	110.2
22	L	27.7	Very low	29.8	Very low	152 Å²	152	119.5 Å²	119.5	80%	0.796	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-103.3	123.1	169	-80.9	157.9	0	0	0	109.4	F20	F20-L22 HydrophobicContact CD1-CD1 4.32Å; F20-L22 HydrophobicContact CD1-CG 4.18Å; F20-L22 HydrophobicContact CE1-CD1 4.15Å; F20-L22 HydrophobicContact CE1-CD2 4.22Å; F20-L22 HydrophobicContact CE1-CG 3.89Å
23	K	26.4	Very low	29.9	Very low	207 Å²	207	118.4 Å²	118.4	90%	0.9	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-71.9	144.4	177.8	-74.4	176.9	177.1	175.1	0	111.2
24	S	28.3	Very low	29.7	Very low	120 Å²	120	122 Å²	122	84%	0.839	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-84.5	154.9	175.1	59.1	0	0	0	0	112.6
25	S	25.9	Very low	29.6	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	76%	0.762	S	S	*	*			trans	-161.7	121.8	154.4	56.3	0	0	0	0	111.2
26	S	27.8	Very low	29.2	Very low	128 Å²	128	132.2 Å²	132.2	90%	0.895	79%	0.793	S	S	*	*			trans	179.8	142.1	131.8	50.3	0	0	0	0	112.7
27	K	29.4	Very low	29.1	Very low	211 Å²	211	136.8 Å²	136.8	92%	0.917	81%	0.808	S	S	*	*			trans	-76.9	160.5	-176.9	-82.6	171.6	167.5	176.5	0	113.9
28	A	30.3	Very low	29	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	83%	0.834	S	S	*	*			trans	-68.3	173.3	167.1	0	0	0	0	0	113.5
29	P	33.2	Very low	29.5	Very low	135 Å²	135	142.4 Å²	142.4	88%	0.877	83%	0.834	S	S	*	*				-144.2	179.9	90.1	36.6	-18.2	0	0	0	116.4
30	A	28.8	Very low	29.8	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	83%	0.834	S	S	*	*			trans	-89.4	169	-164.8	0	0	0	0	0	116.5
31	G	26.1	Very low	30	Very low	83 Å²	83	133.8 Å²	133.8	86%	0.856	83%	0.831	S	S	*	*			trans	148.8	126.6	146.8	0	0	0	0	0	116.4
32	G	28.2	Very low	30.7	Very low	84 Å²	84	134.9 Å²	134.9	87%	0.866	84%	0.839	S	S	*	*			trans	118.6	98.4	145.8	0	0	0	0	0	117.5
33	D	30.3	Very low	31.4	Very low	159 Å²	159	136.5 Å²	136.5	85%	0.85	84%	0.842	S	S	*	*			trans	-70.6	146.7	163.5	-65.9	-51.1	0	0	0	111.4
34	D	30.8	Very low	32.3	Very low	165 Å²	165	130.2 Å²	130.2	88%	0.882	84%	0.836	S	S	*	*			trans	-162.2	117	142	-97.2	-32.7	0	0	0	110.8
35	E	30.4	Very low	33.4	Very low	177 Å²	177	130.6 Å²	130.6	83%	0.827	83%	0.834	S	S	*	*			trans	-72.3	129.5	171.1	-79.7	-174.7	129.8	0	0	110.8
36	V	31.7	Very low	34.6	Very low	133 Å²	133	131.1 Å²	131.1	81%	0.806	83%	0.834	S	S	*	*			trans	-128.5	107	156.9	-177.9	0	0	0	0	109.2
37	K	34.2	Very low	36.5	Very low	181 Å²	181	129.4 Å²	129.4	79%	0.787	82%	0.822	S	S	*	*			trans	-66.6	126.3	164.6	-72	176.9	178.5	170.9	0	108.8
38	N	30.3	Very low	39.2	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	80%	0.797	S	S	*	*			trans	-141.8	115.3	154.2	-122	-4.9	0	0	0	111.1
39	S	38.2	Very low	41.9	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	79%	0.79	S	S	*	*			trans	-88.3	120	171.9	50.5	0	0	0	0	109.7
40	S	34.8	Very low	44.7	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	78%	0.776	S	S	*	*			trans	-171.1	117.7	153.9	54.1	0	0	0	0	112.1
41	G	32.2	Very low	47.8	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	75%	0.753	S	S	*	*			trans	64.1	109.8	146.8	0	0	0	0	0	118.2	Q43	G41-Q43 PolarHBondContact O-N 3.17Å
42	S	40	Very low	51.1	Low	130 Å²	130	121.3 Å²	121.3	91%	0.909	71%	0.714	S	S	*	*			trans	-66.3	80.1	165.6	60.1	0	0	0	0	110.9
43	Q	41.7	Very low	54.2	Low	186 Å²	186	123.7 Å²	123.7	87%	0.869	70%	0.697	S	S	*	*			trans	-80.8	113.7	155	-72	-165.3	-13.2	0	0	106.6	G41 T45	G41-Q43 PolarHBondContact O-N 3.17Å; Q43-T45 PolarHBondContact O-N 3.18Å; Q43-T45 VanDerWaalsContact O-N 3.12Å
44	G	45.5	Very low	57.1	Low	75 Å²	75	118.2 Å²	118.2	77%	0.773	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-52.6	121.2	175.3	0	0	0	0	0	109.2
45	T	50.8	Low	60	Low	129 Å²	129	115.3 Å²	115.3	79%	0.791	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-49.1	132.7	173.2	38.9	0	0	0	0	109	Q43 S47	Q43-T45 PolarHBondContact O-N 3.18Å; Q43-T45 VanDerWaalsContact O-N 3.12Å; T45-S47 PolarHBondContact O-N 3.01Å; T45-S47 VanDerWaalsContact O-N 3.09Å
46	P	52.4	Low	63	Low	125 Å²	125	110.1 Å²	110.1	81%	0.812	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-50.9	123.4	173.8	-23.2	31.9	0	0	0	108.7	D48	P46-D48 PolarHBondContact O-N 2.94Å
47	S	67.8	Low	66	Low	92 Å²	92	108.3 Å²	108.3	64%	0.643	62%	0.618	S	S	*	*			trans	-53.9	114.3	172.8	172	0	0	0	0	107.6	T45 M49	T45-S47 PolarHBondContact O-N 3.01Å; T45-S47 VanDerWaalsContact O-N 3.09Å; S47-M49 PolarHBondContact O-N 3.35Å
48	D	84.9	Confident	68.8	Low	74 Å²	74	101.2 Å²	101.2	40%	0.396	59%	0.59	S	S	.	*			trans	-55.7	111.6	170.6	177.5	-1.6	0	0	0	108	P46 Y50 R51	P46-D48 PolarHBondContact O-N 2.94Å; D48-Y50 PolarHBondContact O-N 3.03Å; D48-Y50 PolarHBondContact OD1-N 3.39Å; D48-R51 HydrophobicContact CB-CB 3.95Å; D48-R51 PolarHBondContact O-N 3.35Å; D48-R51 VanDerWaalsContact O-N 3.17Å
49	M	87.1	Confident	72	Confident	125 Å²	125	94.5 Å²	94.5	62%	0.616	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-23.3	-173.5	87.1	176.8	93.4	0	0	111.8	S47 K284	S47-M49 PolarHBondContact O-N 3.35Å; M49-K284 WeakPolarHBondContact O-CD 3.31Å; M49-K284 VanDerWaalsContact O-CE 3.32Å; M49-K284 WeakPolarHBondContact O-CE 3.46Å
50	Y	91.9	Very high	74.8	Confident	145 Å²	145	89.1 Å²	89.1	57%	0.569	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	8	-177.2	-58	-66.7	0	0	0	112.5	D48 K284 D285	D48-Y50 PolarHBondContact O-N 3.03Å; D48-Y50 PolarHBondContact OD1-N 3.39Å; Y50-K284 CarbonylContact O-C 3.45Å; Y50-K284 VanDerWaalsContact O-CA 3.27Å; Y50-K284 WeakPolarHBondContact O-CA 3.28Å; Y50-K284 VanDerWaalsContact O-CB 3.28Å; Y50-K284 WeakPolarHBondContact O-CB 3.27Å; Y50-D285 PolarHBondContact O-N 3.05Å
51	R	94.9	Very high	77.8	Confident	105 Å²	105	84 Å²	84	40%	0.396	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-118.3	135.2	177.8	-177.9	171.6	-81.8	175.5	-6	111.6	D48 Y287	D48-R51 HydrophobicContact CB-CB 3.95Å; D48-R51 PolarHBondContact O-N 3.35Å; D48-R51 VanDerWaalsContact O-N 3.17Å; R51-Y287 HydrophobicContact CG-CD2 4.31Å; R51-Y287 VanDerWaalsContact NE-CD2 3.27Å; R51-Y287 VanDerWaalsContact NE-CE2 3.29Å
52	Y	95.4	Very high	81	Confident	9 Å²	9	80.6 Å²	80.6	4%	0.035	45%	0.445	C	S	.	.			trans	-67	141	170.5	-77	-72.3	0	0	0	111	T54 G168 P170 D205 L282 T283 K284 D285 F286	Y52-T54 PolarHBondContact O-N 3.09Å; Y52-G168 WeakPolarHBondContact CE1-O 3.32Å; Y52-P170 HydrophobicContact CD1-CG 3.73Å; Y52-P170 HydrophobicContact CD2-CG 3.56Å; Y52-P170 HydrophobicContact CE1-CG 4Å; Y52-P170 HydrophobicContact CE2-CG 3.79Å; Y52-P170 HydrophobicContact CG-CG 3.51Å; Y52-D205 HydrophobicContact CE1-CB 4.3Å; Y52-D205 WeakPolarHBondContact OH-CA 3.26Å; Y52-D205 VanDerWaalsContact OH-CB 3.3Å; Y52-D205 WeakPolarHBondContact OH-CB 3.28Å; Y52-D205 VanDerWaalsContact OH-CG 3.26Å; Y52-D205 PolarHBondContact OH-OD1 2.84Å; Y52-L282 HydrophobicContact CE2-CB 4.15Å; Y52-L282 HydrophobicContact CE2-CD2 4.1Å; Y52-T283 PolarHBondContact OH-N 3.24Å; Y52-T283 PolarHBondContact OH-OG1 3.02Å; Y52-K284 HydrophobicContact CD1-CB 4.29Å; Y52-K284 HydrophobicContact CD1-CD 4.16Å; Y52-K284 HydrophobicContact CD2-CB 3.6Å; Y52-K284 WeakPolarHBondContact CD2-O 3.48Å; Y52-K284 HydrophobicContact CE1-CB 4.31Å; Y52-K284 HydrophobicContact CE1-CD 4.31Å; Y52-K284 HydrophobicContact CE2-CB 3.66Å; Y52-K284 WeakPolarHBondContact CE2-O 3.44Å; Y52-K284 HydrophobicContact CG-CB 3.94Å; Y52-K284 HydrophobicContact CG-CD 4.43Å; Y52-D285 PolarHBondContact N-O 2.9Å; Y52-F286 HydrophobicContact CD2-CB 4.02Å; Y52-F286 HydrophobicContact CD2-CD2 4.32Å; Y52-F286 HydrophobicContact CG-CD2 4.5Å
53	R	92.9	Very high	83.8	Confident	134 Å²	134	74.4 Å²	74.4	51%	0.506	40%	0.402	S	S	.	.			trans	-72.3	126.6	173.4	-78.4	-174.2	66.3	-175.5	3.1	110.4	D55 Y56	R53-D55 VanDerWaalsContact CB-OD1 3.28Å; R53-D55 WeakPolarHBondContact CB-OD1 3.47Å; R53-D55 IonicContact CZ-OD1 3.46Å; R53-D55 IonicContact CZ-OD2 2.71Å; R53-D55 IonicContact NE-OD1 3.39Å; R53-D55 PolarHBondContact NE-OD1 2.89Å; R53-D55 IonicContact NE-OD2 3.6Å; R53-D55 PolarHBondContact NE-OD2 2.71Å; R53-D55 IonicContact NH2-OD1 3.51Å; R53-D55 PolarHBondContact NH2-OD1 2.86Å; R53-D55 IonicContact NH2-OD2 3.72Å; R53-D55 PolarHBondContact NH2-OD2 2.97Å; R53-Y56 HydrophobicContact CB-CD2 4.45Å; R53-Y56 HydrophobicContact CB-CE2 3.7Å; R53-Y56 WeakPolarHBondContact O-CD2 3.24Å; R53-Y56 VanDerWaalsContact O-CE2 3.31Å; R53-Y56 WeakPolarHBondContact O-CE2 3.33Å
54	T	91.8	Very high	86.5	Confident	43 Å²	43	65.6 Å²	65.6	26%	0.264	36%	0.361	S	S	.	.			trans	-119.2	7.1	173.8	57.6	0	0	0	0	112.3	Y52 Y56 M59 F286	Y52-T54 PolarHBondContact O-N 3.09Å; T54-Y56 PolarHBondContact O-N 2.75Å; T54-M59 HydrophobicContact CG2-SD 4.46Å; T54-F286 HydrophobicContact CG2-CD2 4.37Å; T54-F286 HydrophobicContact CG2-CE2 3.87Å
55	D	91.1	Very high	89	Confident	104 Å²	104	62.1 Å²	62.1	56%	0.556	32%	0.324	S	S	*	.			trans	-79.9	34.6	176.2	64.1	-44	0	0	0	112.7	R53	R53-D55 VanDerWaalsContact CB-OD1 3.28Å; R53-D55 WeakPolarHBondContact CB-OD1 3.47Å; R53-D55 IonicContact CZ-OD1 3.46Å; R53-D55 IonicContact CZ-OD2 2.71Å; R53-D55 IonicContact NE-OD1 3.39Å; R53-D55 PolarHBondContact NE-OD1 2.89Å; R53-D55 IonicContact NE-OD2 3.6Å; R53-D55 PolarHBondContact NE-OD2 2.71Å; R53-D55 IonicContact NH2-OD1 3.51Å; R53-D55 PolarHBondContact NH2-OD1 2.86Å; R53-D55 IonicContact NH2-OD2 3.72Å; R53-D55 PolarHBondContact NH2-OD2 2.97Å
56	Y	93.8	Very high	91.3	Very high	68 Å²	68	56 Å²	56	27%	0.267	29%	0.287	S	S	.	.	S	Bend	trans	-91.5	156.7	174.3	-70.6	-94.5	0	0	0	110.4	R53 T54 C58 S124 Q125 A127	R53-Y56 HydrophobicContact CB-CD2 4.45Å; R53-Y56 HydrophobicContact CB-CE2 3.7Å; R53-Y56 WeakPolarHBondContact O-CD2 3.24Å; R53-Y56 VanDerWaalsContact O-CE2 3.31Å; R53-Y56 WeakPolarHBondContact O-CE2 3.33Å; T54-Y56 PolarHBondContact O-N 2.75Å; Y56-C58 PolarHBondContact O-N 3.23Å; Y56-C58 VanDerWaalsContact O-N 3.1Å; Y56-S124 WeakPolarHBondContact CD1-O 3.27Å; Y56-S124 WeakPolarHBondContact CE1-O 3.49Å; Y56-Q125 WeakPolarHBondContact CB-O 3.3Å; Y56-A127 VanDerWaalsContact CD2-CA 3.47Å; Y56-A127 HydrophobicContact CD2-CB 3.74Å; Y56-A127 HydrophobicContact CG-CB 4.23Å
57	P	93.9	Very high	93.5	Very high	96 Å²	96	50 Å²	50	62%	0.623	25%	0.248	S	C	*	.	S	Bend	trans	-59	-24	177.7	-28.4	37.7	0	0	0	114.9	Q125	P57-Q125 WeakPolarHBondContact CD-O 3.49Å; P57-Q125 HydrophobicContact CG-CB 4.37Å
58	C	94.1	Very high	94.9	Very high	31 Å²	31	48 Å²	48	21%	0.209	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-136.2	144.6	178	-72.2	0	0	0	0	110.5	Y56 G60 Q125 N126 A127	Y56-C58 PolarHBondContact O-N 3.23Å; Y56-C58 VanDerWaalsContact O-N 3.1Å; C58-G60 VanDerWaalsContact C-N 3.31Å; C58-Q125 PolarHBondContact N-O 3.46Å; C58-Q125 VanDerWaalsContact N-O 3.12Å; C58-N126 WeakPolarHBondContact CB-OD1 3.2Å; C58-N126 CarbonylContact O-C 3.5Å; C58-N126 VanDerWaalsContact O-CA 3.27Å; C58-N126 WeakPolarHBondContact O-CA 3.5Å; C58-A127 PolarHBondContact O-N 2.77Å
59	M	96.3	Very high	95.5	Very high	12 Å²	12	48 Å²	48	6%	0.059	23%	0.228	C	C	.	.			trans	-67.3	-36.4	170.8	-81.7	-60.7	-63.2	0	0	112.1	T54 L96 Y98 A127 S128 F286 F288 P289	T54-M59 HydrophobicContact CG2-SD 4.46Å; M59-L96 WeakPolarHBondContact CG-O 3.33Å; M59-Y98 HydrophobicContact CB-CD1 4.38Å; M59-Y98 HydrophobicContact CB-CD2 4.03Å; M59-Y98 HydrophobicContact CB-CE1 4.31Å; M59-Y98 HydrophobicContact CB-CE2 3.96Å; M59-Y98 HydrophobicContact CB-CG 4.26Å; M59-Y98 HydrophobicContact CE-CE2 3.97Å; M59-A127 HydrophobicContact CE-CB 4.46Å; M59-A127 PolarHBondContact O-N 3.39Å; M59-A127 HydrophobicContact SD-CB 3.95Å; M59-S128 PolarHBondContact O-N 2.81Å; M59-S128 VanDerWaalsContact O-O 3.13Å; M59-S128 PolarHBondContact O-OG 2.99Å; M59-F286 HydrophobicContact CE-CE2 4.35Å; M59-F286 HydrophobicContact CE-CZ 3.75Å; M59-F288 HydrophobicContact CE-CD1 4.22Å; M59-P289 HydrophobicContact CE-CG 4.32Å; M59-P289 HydrophobicContact CG-CG 4.01Å; M59-P289 WeakPolarHBondContact SD-CD 3.45Å; M59-P289 HydrophobicContact SD-CG 3.55Å; M59-P289 VanDerWaalsContact SD-CG 3.55Å
60	G	97.2	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	-167.5	176.1	0	0	0	0	0	113.3	C58 Y98 K99 S128	C58-G60 VanDerWaalsContact C-N 3.31Å; G60-Y98 WeakPolarHBondContact O-CA 3.38Å; G60-K99 PolarHBondContact O-N 3.44Å; G60-S128 WeakPolarHBondContact CA-O 3.39Å
61	V	98	Very high	96.3	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.1	171.4	178.1	0	0	0	0	108.7	K99 R101 F129 V130	V61-K99 WeakPolarHBondContact CA-O 3.45Å; V61-R101 HydrophobicContact CG1-CB 4.25Å; V61-F129 HydrophobicContact CB-CD2 4.49Å; V61-V130 PolarHBondContact O-N 2.8Å
62	C	98.6	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101.8	164.8	177.9	0	0	0	0	107.9	F93 Y98 K99 I100 R101 V130	C62-F93 HydrophobicContact CB-CB 4.1Å; C62-F93 HydrophobicContact CB-CD1 4.44Å; C62-F93 HydrophobicContact CB-CG 4.35Å; C62-Y98 HydrophobicContact CB-CD1 4.13Å; C62-Y98 HydrophobicContact CB-CG 4.16Å; C62-K99 PolarHBondContact N-O 3.2Å; C62-I100 HydrophobicContact CB-CD1 3.75Å; C62-R101 PolarHBondContact O-N 3.22Å; C62-V130 CarbonylContact C-O 3.6Å; C62-V130 WeakPolarHBondContact CA-O 3.35Å; C62-V130 HydrophobicContact CB-CB 4.1Å; C62-V130 HydrophobicContact CB-CG1 4.25Å; C62-V130 VanDerWaalsContact SG-CG1 3.58Å
63	L	98.8	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.4	174.2	173.8	62.7	0	0	0	108.8	I65 R101 L103 E114 M115 V118 F129 V130 C131 V132	L63-I65 HydrophobicContact CD1-CG1 4.3Å; L63-I65 HydrophobicContact CD2-CD1 4.32Å; L63-I65 HydrophobicContact CD2-CG1 4.44Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; L63-R101 CarbonylContact C-O 3.56Å; L63-R101 WeakPolarHBondContact CA-O 3.23Å; L63-R101 HydrophobicContact CD1-CB 4.26Å; L63-R101 HydrophobicContact CD1-CG 4.09Å; L63-L103 HydrophobicContact CD1-CD1 4.18Å; L63-L103 HydrophobicContact CD1-CG 4.3Å; L63-E114 HydrophobicContact CD1-CG 3.73Å; L63-E114 HydrophobicContact CD2-CG 3.9Å; L63-M115 HydrophobicContact CD2-SD 3.58Å; L63-M115 VanDerWaalsContact CD2-SD 3.58Å; L63-V118 HydrophobicContact CD2-CG2 4.32Å; L63-F129 HydrophobicContact CB-CE2 4.26Å; L63-F129 HydrophobicContact CB-CZ 4.32Å; L63-V130 PolarHBondContact N-O 2.94Å; L63-C131 CarbonylContact O-C 3.06Å; L63-C131 WeakPolarHBondContact O-CA 3.38Å; L63-V132 PolarHBondContact O-N 3.3Å
64	I	98.8	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.3	177	-51	171.1	0	0	0	107.5	A86 V89 A90 I100 R101 L102 L103 V132 L134	I64-A86 HydrophobicContact CG2-CB 4.46Å; I64-V89 HydrophobicContact CD1-CB 4.17Å; I64-V89 HydrophobicContact CD1-CG1 3.57Å; I64-V89 HydrophobicContact CG1-CG1 3.9Å; I64-A90 HydrophobicContact CD1-CB 3.91Å; I64-I100 HydrophobicContact CD1-CG2 3.73Å; I64-I100 HydrophobicContact CG1-CG2 4.45Å; I64-R101 PolarHBondContact N-O 2.99Å; I64-L102 HydrophobicContact CB-CD1 3.73Å; I64-L102 HydrophobicContact CG2-CD1 3.6Å; I64-L103 PolarHBondContact O-N 3.01Å; I64-V132 WeakPolarHBondContact CA-O 3.43Å; I64-V132 HydrophobicContact CG1-CB 4.37Å; I64-V132 HydrophobicContact CG2-CB 4.4Å; I64-L134 HydrophobicContact CG2-CD1 4.28Å
65	I	98.8	Very high	96.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.9	172.6	-55	-177.5	0	0	0	107.9	L63 Q106 M111 V132 L133 L134	L63-I65 HydrophobicContact CD1-CG1 4.3Å; L63-I65 HydrophobicContact CD2-CD1 4.32Å; L63-I65 HydrophobicContact CD2-CG1 4.44Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; I65-Q106 HydrophobicContact CG2-CB 4.17Å; I65-Q106 HydrophobicContact CG2-CG 4.15Å; I65-M111 HydrophobicContact CD1-CB 4.17Å; I65-M111 HydrophobicContact CD1-CG 3.97Å; I65-M111 HydrophobicContact CD1-SD 4.37Å; I65-M111 HydrophobicContact CG2-CG 4.01Å; I65-M111 HydrophobicContact CG2-SD 3.89Å; I65-V132 PolarHBondContact N-O 3.29Å; I65-L133 HydrophobicContact CB-CD2 3.92Å; I65-L133 HydrophobicContact CD1-CD2 3.71Å; I65-L133 HydrophobicContact CG1-CD2 3.99Å; I65-L134 PolarHBondContact O-N 3.39Å
66	N	98.7	Very high	96.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	94.9	-176.9	179	44.7	0	0	0	110.8	T82 D83 A86 L102 L103 N104 D105 L134	N66-T82 WeakPolarHBondContact OD1-CB 3.23Å; N66-T82 WeakPolarHBondContact OD1-CG2 3.31Å; N66-T82 PolarHBondContact OD1-O 3.42Å; N66-T82 PolarHBondContact OD1-OG1 3.17Å; N66-D83 PolarHBondContact ND2-OD1 2.66Å; N66-A86 HydrophobicContact CB-CB 3.99Å; N66-L102 HydrophobicContact CB-CD1 4.09Å; N66-L103 PolarHBondContact N-O 3.48Å; N66-N104 WeakPolarHBondContact CB-OD1 3.42Å; N66-N104 PolarHBondContact ND2-OD1 3.43Å; N66-N104 CarbonylContact O-C 3.57Å; N66-N104 VanDerWaalsContact O-CA 3.28Å; N66-N104 WeakPolarHBondContact O-CA 3.41Å; N66-D105 PolarHBondContact O-N 3.04Å; N66-L134 HydrophobicContact CB-CD1 4.42Å
67	N	98.4	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.			trans	-96.6	111.4	177.7	-67.9	-13.5	0	0	0	109.6	F70 R79 D105 Q106 L134 S135 Y143	N67-F70 HydrophobicContact CB-CE1 3.94Å; N67-F70 HydrophobicContact CB-CE2 4.45Å; N67-F70 HydrophobicContact CB-CZ 3.58Å; N67-F70 WeakPolarHBondContact O-CZ 3.12Å; N67-R79 WeakPolarHBondContact O-CD 3.34Å; N67-R79 PolarHBondContact O-NH1 3.43Å; N67-D105 WeakPolarHBondContact OD1-CA 3.47Å; N67-D105 PolarHBondContact OD1-N 2.9Å; N67-Q106 PolarHBondContact ND2-O 3.46Å; N67-Q106 PolarHBondContact OD1-N 3.43Å; N67-L134 PolarHBondContact N-O 3.49Å; N67-S135 WeakPolarHBondContact CB-OG 3.5Å; N67-Y143 PolarHBondContact ND2-O 3.28Å
68	K	97.7	Very high	96.5	Very high	50 Å²	50	46.6 Å²	46.6	22%	0.217	25%	0.247	C	C	.	.			trans	-105	-47	-179	-178.2	175.1	178.9	179.4	0	111.7	F70 V78 R79 T82 D83 D105	K68-F70 WeakPolarHBondContact O-CE2 3.5Å; K68-V78 HydrophobicContact CG-CG1 4.02Å; K68-V78 WeakPolarHBondContact O-CA 3.35Å; K68-R79 PolarHBondContact O-N 2.83Å; K68-T82 HydrophobicContact CB-CG2 3.56Å; K68-T82 HydrophobicContact CD-CG2 4.17Å; K68-T82 HydrophobicContact CG-CG2 3.81Å; K68-D83 VanDerWaalsContact CD-OD2 3.31Å; K68-D83 WeakPolarHBondContact CD-OD2 3.1Å; K68-D83 WeakPolarHBondContact CE-OD2 3.49Å; K68-D83 IonicContact NZ-OD2 2.68Å; K68-D83 PolarHBondContact NZ-OD2 2.87Å; K68-D105 WeakPolarHBondContact CA-OD1 3.35Å; K68-D105 PolarHBondContact N-OD1 2.8Å
69	N	97.9	Very high	96.5	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	24%	0.238	S	C	.	.			trans	-108.3	133.2	-172.9	-56.2	-66	0	0	0	109.7	D105 T145	N69-D105 PolarHBondContact N-OD1 3.36Å; N69-D105 PolarHBondContact ND2-OD2 3.37Å; N69-T145 WeakPolarHBondContact O-CG2 3.42Å
70	F	97.7	Very high	96.3	Very high	26 Å²	26	48.5 Å²	48.5	11%	0.114	26%	0.256	C	S	.	.			trans	-125.3	145.5	-176.1	-61.2	-95	0	0	0	109.1	N67 K68 V72 M76 R79 S135 H136 G144	N67-F70 HydrophobicContact CB-CE1 3.94Å; N67-F70 HydrophobicContact CB-CE2 4.45Å; N67-F70 HydrophobicContact CB-CZ 3.58Å; N67-F70 WeakPolarHBondContact O-CZ 3.12Å; K68-F70 WeakPolarHBondContact O-CE2 3.5Å; F70-V72 PolarHBondContact O-N 3.47Å; F70-M76 HydrophobicContact CB-CB 3.8Å; F70-M76 HydrophobicContact CD1-CB 4.27Å; F70-M76 HydrophobicContact CD2-CB 4.26Å; F70-M76 HydrophobicContact CG-CB 3.85Å; F70-R79 HydrophobicContact CE2-CG 3.85Å; F70-S135 WeakPolarHBondContact CZ-OG 3.47Å; F70-H136 AromaticContact CD2-CD2 3.65Å; F70-H136 AromaticContact CE2-CD2 3.32Å; F70-H136 WeakPolarHBondContact CE2-CD2 3.43Å; F70-H136 AromaticContact CE2-NE2 3.83Å; F70-H136 HydrophobicContact CZ-CB 4.46Å; F70-H136 AromaticContact CZ-CD2 3.52Å; F70-G144 WeakPolarHBondContact CD1-O 3.22Å
71	D	97.3	Very high	96.1	Very high	75 Å²	75	49 Å²	49	40%	0.401	26%	0.26	S	S	.	.			trans	-58.9	137.3	174.3	-173.5	-41.7	0	0	0	109.1	R73 T74 T145	D71-R73 HydrophobicContact CB-CG 4.1Å; D71-R73 PolarHBondContact O-N 3.17Å; D71-R73 WeakPolarHBondContact OD1-CB 3.33Å; D71-R73 VanDerWaalsContact OD1-CG 3.27Å; D71-R73 WeakPolarHBondContact OD1-CG 3.4Å; D71-R73 PolarHBondContact OD1-N 2.94Å; D71-T74 HydrophobicContact CB-CG2 4.29Å; D71-T74 WeakPolarHBondContact O-CB 3.07Å; D71-T74 WeakPolarHBondContact O-CG2 3.32Å; D71-T74 PolarHBondContact O-N 3.27Å; D71-T74 PolarHBondContact O-OG1 2.94Å; D71-T145 WeakPolarHBondContact CB-O 3.4Å; D71-T145 PolarHBondContact N-O 3.37Å
72	V	95	Very high	96	Very high	137 Å²	137	48.5 Å²	48.5	83%	0.83	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31	-179	89.8	0	0	0	0	112.1	F70 T74 G75	F70-V72 PolarHBondContact O-N 3.47Å; V72-T74 PolarHBondContact O-N 3.27Å; V72-G75 PolarHBondContact O-N 2.93Å; V72-G75 VanDerWaalsContact O-N 3.09Å
73	R	95.8	Very high	96	Very high	184 Å²	184	51.7 Å²	51.7	69%	0.694	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65	-21.9	179.6	79.9	-171.6	-149.5	156.6	7.3	113.4	D71 G75 D146	D71-R73 HydrophobicContact CB-CG 4.1Å; D71-R73 PolarHBondContact O-N 3.17Å; D71-R73 WeakPolarHBondContact OD1-CB 3.33Å; D71-R73 VanDerWaalsContact OD1-CG 3.27Å; D71-R73 WeakPolarHBondContact OD1-CG 3.4Å; D71-R73 PolarHBondContact OD1-N 2.94Å; R73-G75 VanDerWaalsContact C-N 3.26Å; R73-D146 PolarHBondContact NE-O 3.11Å; R73-D146 PolarHBondContact NH2-O 2.76Å
74	T	93.3	Very high	95.9	Very high	24 Å²	24	54.1 Å²	54.1	15%	0.147	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-77	-16.2	177.4	68.1	0	0	0	0	112.2	D71 V72 M76	D71-T74 HydrophobicContact CB-CG2 4.29Å; D71-T74 WeakPolarHBondContact O-CB 3.07Å; D71-T74 WeakPolarHBondContact O-CG2 3.32Å; D71-T74 PolarHBondContact O-N 3.27Å; D71-T74 PolarHBondContact O-OG1 2.94Å; V72-T74 PolarHBondContact O-N 3.27Å; T74-M76 PolarHBondContact O-N 3.17Å; T74-M76 WeakPolarHBondContact OG1-CB 3.35Å; T74-M76 PolarHBondContact OG1-N 3.4Å
75	G	93.6	Very high	95.9	Very high	62 Å²	62	54.1 Å²	54.1	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	2.1	-172.4	0	0	0	0	0	114.4	V72 R73	V72-G75 PolarHBondContact O-N 2.93Å; V72-G75 VanDerWaalsContact O-N 3.09Å; R73-G75 VanDerWaalsContact C-N 3.26Å
76	M	92.6	Very high	95.9	Very high	57 Å²	57	54.2 Å²	54.2	28%	0.281	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-82.7	137.1	-176.3	-67	-61	108.2	0	0	112	F70 T74 H136 Y143	F70-M76 HydrophobicContact CB-CB 3.8Å; F70-M76 HydrophobicContact CD1-CB 4.27Å; F70-M76 HydrophobicContact CD2-CB 4.26Å; F70-M76 HydrophobicContact CG-CB 3.85Å; T74-M76 PolarHBondContact O-N 3.17Å; T74-M76 WeakPolarHBondContact OG1-CB 3.35Å; T74-M76 PolarHBondContact OG1-N 3.4Å; M76-H136 HydrophobicContact CG-CB 4.32Å; M76-H136 HydrophobicContact SD-CB 3.86Å; M76-Y143 HydrophobicContact CE-CE1 4.32Å; M76-Y143 HydrophobicContact CG-CD1 3.73Å; M76-Y143 HydrophobicContact CG-CE1 3.66Å; M76-Y143 HydrophobicContact CG-CG 4.36Å; M76-Y143 HydrophobicContact SD-CD1 4.48Å; M76-Y143 HydrophobicContact SD-CE1 4.14Å; M76-Y143 HydrophobicContact SD-CE2 4.43Å
77	K	92.8	Very high	95.8	Very high	165 Å²	165	56.9 Å²	56.9	72%	0.717	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-80.1	159.7	177.9	-60.6	-176.6	-177.9	176.7	0	111.8	H136	K77-H136 PolarHBondContact O-NE2 3.37Å
78	V	94.9	Very high	95.8	Very high	70 Å²	70	59.5 Å²	59.5	42%	0.424	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.5	135.1	173	179.8	0	0	0	0	111.3	K68 N80	K68-V78 HydrophobicContact CG-CG1 4.02Å; K68-V78 WeakPolarHBondContact O-CA 3.35Å; V78-N80 PolarHBondContact O-N 3.47Å
79	R	94.9	Very high	95.9	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.015	32%	0.316	C	S	.	.			trans	-92	66.9	-178.6	-65.5	178.9	63.1	-96.4	-1.9	113.2	N67 K68 F70 G81 T82 L134 S135 H136	N67-R79 WeakPolarHBondContact O-CD 3.34Å; N67-R79 PolarHBondContact O-NH1 3.43Å; K68-R79 PolarHBondContact O-N 2.83Å; F70-R79 HydrophobicContact CE2-CG 3.85Å; R79-G81 PolarHBondContact O-N 2.97Å; R79-T82 HydrophobicContact CB-CG2 4.24Å; R79-T82 VanDerWaalsContact NH1-CB 3.3Å; R79-T82 PolarHBondContact NH1-OG1 2.94Å; R79-T82 VanDerWaalsContact O-CB 3.31Å; R79-T82 WeakPolarHBondContact O-CB 3.41Å; R79-T82 WeakPolarHBondContact O-CG2 3.48Å; R79-T82 PolarHBondContact O-N 3.4Å; R79-T82 VanDerWaalsContact O-N 3.12Å; R79-L134 VanDerWaalsContact NH1-C 3.33Å; R79-L134 PolarHBondContact NH1-O 3.24Å; R79-L134 VanDerWaalsContact NH1-O 3.09Å; R79-S135 PolarHBondContact NE-O 3.13Å; R79-H136 VanDerWaalsContact CG-NE2 3.28Å; R79-H136 WeakPolarHBondContact CG-NE2 3.45Å
80	N	92.1	Very high	95.9	Very high	80 Å²	80	54.3 Å²	54.3	43%	0.428	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	133.5	180	-68.2	-44.4	0	0	0	113.6	V78 R220 T222	V78-N80 PolarHBondContact O-N 3.47Å; N80-R220 WeakPolarHBondContact O-CD 3.37Å; N80-R220 PolarHBondContact O-NH1 3.31Å; N80-T222 HydrophobicContact CB-CG2 3.84Å
81	G	93.1	Very high	95.9	Very high	9 Å²	9	59 Å²	59	9%	0.093	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-8.5	-176	0	0	0	0	0	114.8	R79 D83 V84 D85 T222	R79-G81 PolarHBondContact O-N 2.97Å; G81-D83 PolarHBondContact O-N 3Å; G81-V84 WeakPolarHBondContact O-CB 3.49Å; G81-V84 PolarHBondContact O-N 2.71Å; G81-V84 VanDerWaalsContact O-N 3.1Å; G81-D85 PolarHBondContact O-N 3.28Å; G81-T222 VanDerWaalsContact CA-O 3.24Å; G81-T222 WeakPolarHBondContact CA-O 3.46Å; G81-T222 PolarHBondContact N-O 2.97Å
82	T	96.3	Very high	95.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-26.3	174	-163.6	0	0	0	0	113.4	N66 K68 R79 V84 D85 A86	N66-T82 WeakPolarHBondContact OD1-CB 3.23Å; N66-T82 WeakPolarHBondContact OD1-CG2 3.31Å; N66-T82 PolarHBondContact OD1-O 3.42Å; N66-T82 PolarHBondContact OD1-OG1 3.17Å; K68-T82 HydrophobicContact CB-CG2 3.56Å; K68-T82 HydrophobicContact CD-CG2 4.17Å; K68-T82 HydrophobicContact CG-CG2 3.81Å; R79-T82 HydrophobicContact CB-CG2 4.24Å; R79-T82 VanDerWaalsContact NH1-CB 3.3Å; R79-T82 PolarHBondContact NH1-OG1 2.94Å; R79-T82 VanDerWaalsContact O-CB 3.31Å; R79-T82 WeakPolarHBondContact O-CB 3.41Å; R79-T82 WeakPolarHBondContact O-CG2 3.48Å; R79-T82 PolarHBondContact O-N 3.4Å; R79-T82 VanDerWaalsContact O-N 3.12Å; T82-V84 VanDerWaalsContact C-N 3.28Å; T82-V84 PolarHBondContact O-N 3.48Å; T82-D85 WeakPolarHBondContact O-CB 3.08Å; T82-D85 PolarHBondContact O-N 2.87Å; T82-A86 WeakPolarHBondContact O-CB 3.31Å; T82-A86 PolarHBondContact O-N 2.62Å
83	D	97.6	Very high	96.1	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-69.5	-31.1	175.9	-54.4	-34	0	0	0	111.4	N66 K68 G81 A87	N66-D83 PolarHBondContact ND2-OD1 2.66Å; K68-D83 VanDerWaalsContact CD-OD2 3.31Å; K68-D83 WeakPolarHBondContact CD-OD2 3.1Å; K68-D83 WeakPolarHBondContact CE-OD2 3.49Å; K68-D83 IonicContact NZ-OD2 2.68Å; K68-D83 PolarHBondContact NZ-OD2 2.87Å; G81-D83 PolarHBondContact O-N 3Å; D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.28Å; D83-A87 PolarHBondContact O-N 2.97Å
84	V	97	Very high	96.2	Very high	51 Å²	51	44.9 Å²	44.9	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-43.9	173	-178.8	0	0	0	0	109.6	G81 T82 A87 N88	G81-V84 WeakPolarHBondContact O-CB 3.49Å; G81-V84 PolarHBondContact O-N 2.71Å; G81-V84 VanDerWaalsContact O-N 3.1Å; T82-V84 VanDerWaalsContact C-N 3.28Å; T82-V84 PolarHBondContact O-N 3.48Å; V84-A87 PolarHBondContact O-N 3.39Å; V84-N88 WeakPolarHBondContact O-CB 3.38Å; V84-N88 VanDerWaalsContact O-CG 3.24Å; V84-N88 PolarHBondContact O-N 2.89Å; V84-N88 PolarHBondContact O-ND2 3.19Å
85	D	97.9	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-51.2	173.4	-74.6	-19.9	0	0	0	111.4	G81 T82 A87 N88 V89 L134 G225 S226 I229	G81-D85 PolarHBondContact O-N 3.28Å; T82-D85 WeakPolarHBondContact O-CB 3.08Å; T82-D85 PolarHBondContact O-N 2.87Å; D85-A87 VanDerWaalsContact C-N 3.34Å; D85-A87 PolarHBondContact O-N 3.43Å; D85-N88 PolarHBondContact O-N 3.48Å; D85-V89 VanDerWaalsContact O-CG2 3.27Å; D85-V89 WeakPolarHBondContact O-CG2 3.18Å; D85-V89 PolarHBondContact O-N 3.08Å; D85-L134 HydrophobicContact CB-CD1 3.92Å; D85-G225 WeakPolarHBondContact OD1-CA 3.17Å; D85-S226 VanDerWaalsContact CG-N 3.29Å; D85-S226 VanDerWaalsContact CG-OG 3.26Å; D85-S226 PolarHBondContact OD1-N 3.03Å; D85-S226 PolarHBondContact OD1-OG 3.21Å; D85-S226 VanDerWaalsContact OD2-CB 3.26Å; D85-S226 WeakPolarHBondContact OD2-CB 3.35Å; D85-S226 PolarHBondContact OD2-N 3.18Å; D85-S226 PolarHBondContact OD2-OG 2.9Å; D85-I229 HydrophobicContact CB-CB 4.16Å; D85-I229 HydrophobicContact CB-CG1 4.25Å; D85-I229 HydrophobicContact CB-CG2 3.8Å
86	A	98.5	Very high	96.4	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-43.1	-179.9	0	0	0	0	0	112.2	I64 N66 T82 A90 L102 L134	I64-A86 HydrophobicContact CG2-CB 4.46Å; N66-A86 HydrophobicContact CB-CB 3.99Å; T82-A86 WeakPolarHBondContact O-CB 3.31Å; T82-A86 PolarHBondContact O-N 2.62Å; A86-A90 WeakPolarHBondContact O-CB 3.23Å; A86-A90 PolarHBondContact O-N 3.05Å; A86-L102 HydrophobicContact CB-CD1 4.1Å; A86-L134 HydrophobicContact CB-CD1 3.87Å
87	A	98.3	Very high	96.6	Very high	58 Å²	58	44.3 Å²	44.3	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-42.3	176.9	0	0	0	0	0	112.2	D83 V84 D85 A90 K91	D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.28Å; D83-A87 PolarHBondContact O-N 2.97Å; V84-A87 PolarHBondContact O-N 3.39Å; D85-A87 VanDerWaalsContact C-N 3.34Å; D85-A87 PolarHBondContact O-N 3.43Å; A87-A90 PolarHBondContact O-N 3.16Å; A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.2Å
88	N	98.1	Very high	96.8	Very high	54 Å²	54	37 Å²	37	29%	0.289	21%	0.209	S	C	.	.	H	α-helix	trans	-64.3	-45.9	177.3	-75.3	-23	0	0	0	111.5	V84 D85 K91 T92	V84-N88 WeakPolarHBondContact O-CB 3.38Å; V84-N88 VanDerWaalsContact O-CG 3.24Å; V84-N88 PolarHBondContact O-N 2.89Å; V84-N88 PolarHBondContact O-ND2 3.19Å; D85-N88 PolarHBondContact O-N 3.48Å; N88-K91 PolarHBondContact O-N 2.88Å; N88-T92 WeakPolarHBondContact O-CB 3.25Å; N88-T92 PolarHBondContact O-N 3.46Å; N88-T92 PolarHBondContact O-OG1 3.25Å
89	V	98.6	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-51.5	175.7	171.7	0	0	0	0	110.2	I64 D85 K91 T92 F93 V132 I229	I64-V89 HydrophobicContact CD1-CB 4.17Å; I64-V89 HydrophobicContact CD1-CG1 3.57Å; I64-V89 HydrophobicContact CG1-CG1 3.9Å; D85-V89 VanDerWaalsContact O-CG2 3.27Å; D85-V89 WeakPolarHBondContact O-CG2 3.18Å; D85-V89 PolarHBondContact O-N 3.08Å; V89-K91 VanDerWaalsContact C-N 3.32Å; V89-K91 PolarHBondContact O-N 3.47Å; V89-T92 PolarHBondContact O-N 3.16Å; V89-F93 HydrophobicContact CG1-CD2 3.71Å; V89-F93 HydrophobicContact CG1-CE2 4.05Å; V89-F93 WeakPolarHBondContact O-CD2 3.34Å; V89-F93 PolarHBondContact O-N 3.34Å; V89-V132 HydrophobicContact CG1-CB 4.09Å; V89-V132 HydrophobicContact CG1-CG1 4.07Å; V89-V132 HydrophobicContact CG1-CG2 3.69Å; V89-V132 HydrophobicContact CG2-CG1 4.18Å; V89-I229 HydrophobicContact CG2-CD1 4.22Å; V89-I229 HydrophobicContact CG2-CG2 3.57Å
90	A	98.7	Very high	97.1	Very high	14 Å²	14	41.9 Å²	41.9	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-48.5	179.1	0	0	0	0	0	111.1	I64 A86 A87 T92 F93 I94 I100	I64-A90 HydrophobicContact CD1-CB 3.91Å; A86-A90 WeakPolarHBondContact O-CB 3.23Å; A86-A90 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 3.16Å; A90-T92 PolarHBondContact O-N 2.89Å; A90-F93 PolarHBondContact O-N 2.8Å; A90-I94 WeakPolarHBondContact O-CB 3.41Å; A90-I94 WeakPolarHBondContact O-CD1 3.45Å; A90-I94 WeakPolarHBondContact O-CG1 3.42Å; A90-I94 PolarHBondContact O-N 2.8Å; A90-I100 HydrophobicContact CB-CG1 4.43Å; A90-I100 HydrophobicContact CB-CG2 4.08Å
91	K	98.2	Very high	97.4	Very high	125 Å²	125	41.4 Å²	41.4	54%	0.543	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-48.8	178.3	-178.5	-177.7	178.1	-176.4	0	112.4	A87 N88 V89 K95	A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.2Å; N88-K91 PolarHBondContact O-N 2.88Å; V89-K91 VanDerWaalsContact C-N 3.32Å; V89-K91 PolarHBondContact O-N 3.47Å; K91-K95 WeakPolarHBondContact O-CG 3.49Å; K91-K95 PolarHBondContact O-N 2.52Å
92	T	97.8	Very high	97.7	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-48.8	-179.7	-73.2	0	0	0	0	111.2	N88 V89 A90 I94 K95 L96 L236 D237	N88-T92 WeakPolarHBondContact O-CB 3.25Å; N88-T92 PolarHBondContact O-N 3.46Å; N88-T92 PolarHBondContact O-OG1 3.25Å; V89-T92 PolarHBondContact O-N 3.16Å; A90-T92 PolarHBondContact O-N 2.89Å; T92-I94 VanDerWaalsContact C-N 3.34Å; T92-I94 PolarHBondContact O-N 3.1Å; T92-K95 WeakPolarHBondContact O-CB 3.41Å; T92-K95 PolarHBondContact O-N 3.44Å; T92-L96 HydrophobicContact CG2-CD1 4Å; T92-L96 HydrophobicContact CG2-CG 4.48Å; T92-L96 WeakPolarHBondContact O-CG 3.3Å; T92-L96 PolarHBondContact O-N 3.27Å; T92-L236 HydrophobicContact CG2-CB 3.78Å; T92-L236 HydrophobicContact CG2-CD1 4.01Å; T92-D237 WeakPolarHBondContact CB-OD1 3.4Å; T92-D237 WeakPolarHBondContact CG2-OD1 3.46Å; T92-D237 PolarHBondContact OG1-OD1 2.81Å
93	F	97.9	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.1	-27.1	-177.8	-79.3	-85.7	0	0	0	113.4	C62 V89 A90 L96 G97 Y98 I100 V130 V132 F174 L236 F288	C62-F93 HydrophobicContact CB-CB 4.1Å; C62-F93 HydrophobicContact CB-CD1 4.44Å; C62-F93 HydrophobicContact CB-CG 4.35Å; V89-F93 HydrophobicContact CG1-CD2 3.71Å; V89-F93 HydrophobicContact CG1-CE2 4.05Å; V89-F93 WeakPolarHBondContact O-CD2 3.34Å; V89-F93 PolarHBondContact O-N 3.34Å; A90-F93 PolarHBondContact O-N 2.8Å; F93-L96 HydrophobicContact CD1-CD1 4.12Å; F93-L96 HydrophobicContact CE1-CD1 4.23Å; F93-L96 CarbonylContact O-C 3.57Å; F93-L96 PolarHBondContact O-N 3.47Å; F93-G97 PolarHBondContact O-N 3.34Å; F93-G97 VanDerWaalsContact O-N 3.17Å; F93-Y98 HydrophobicContact CB-CD2 4.42Å; F93-Y98 AromaticContact CD1-CD2 3.72Å; F93-Y98 HydrophobicContact CD1-CD2 3.72Å; F93-Y98 AromaticContact CD1-CE2 3.9Å; F93-Y98 HydrophobicContact CD1-CE2 3.9Å; F93-Y98 HydrophobicContact CD1-CG 4.14Å; F93-Y98 HydrophobicContact CE1-CE2 4.37Å; F93-Y98 WeakPolarHBondContact O-CB 3.05Å; F93-Y98 PolarHBondContact O-N 3.24Å; F93-I100 HydrophobicContact CB-CD1 3.69Å; F93-V130 HydrophobicContact CD1-CG1 4.16Å; F93-V130 HydrophobicContact CD1-CG2 4.2Å; F93-V130 HydrophobicContact CE1-CB 4.25Å; F93-V130 HydrophobicContact CE1-CG1 3.71Å; F93-V130 HydrophobicContact CE1-CG2 3.74Å; F93-V130 HydrophobicContact CZ-CG1 3.93Å; F93-V132 HydrophobicContact CE2-CG2 4.5Å; F93-F174 HydrophobicContact CE1-CE2 4.31Å; F93-F174 HydrophobicContact CZ-CD2 4.15Å; F93-F174 AromaticContact CZ-CE2 3.69Å; F93-F174 HydrophobicContact CZ-CE2 3.69Å; F93-F174 HydrophobicContact CZ-CZ 4.25Å; F93-L236 HydrophobicContact CE2-CD1 4.1Å; F93-L236 HydrophobicContact CZ-CD1 3.92Å; F93-F288 HydrophobicContact CE1-CE1 4.22Å; F93-F288 HydrophobicContact CE1-CZ 4.34Å
94	I	97.5	Very high	97.9	Very high	94 Å²	94	46.6 Å²	46.6	48%	0.482	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-46.3	167.2	-72.8	164.7	0	0	0	110.8	A90 T92 L96 G97 I100 K291	A90-I94 WeakPolarHBondContact O-CB 3.41Å; A90-I94 WeakPolarHBondContact O-CD1 3.45Å; A90-I94 WeakPolarHBondContact O-CG1 3.42Å; A90-I94 PolarHBondContact O-N 2.8Å; T92-I94 VanDerWaalsContact C-N 3.34Å; T92-I94 PolarHBondContact O-N 3.1Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 2.95Å; I94-G97 PolarHBondContact O-N 2.95Å; I94-I100 HydrophobicContact CD1-CG1 3.85Å; I94-I100 HydrophobicContact CG1-CD1 4.04Å; I94-I100 HydrophobicContact CG1-CG1 3.36Å; I94-K291 PolarHBondContact O-NZ 3.39Å; I94-K291 VanDerWaalsContact O-NZ 3.15Å
95	K	96	Very high	97.9	Very high	96 Å²	96	46.8 Å²	46.8	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-41.4	177.1	-69.3	175.3	180	-177.6	0	110.9	K91 T92 G97 D237 K291	K91-K95 WeakPolarHBondContact O-CG 3.49Å; K91-K95 PolarHBondContact O-N 2.52Å; T92-K95 WeakPolarHBondContact O-CB 3.41Å; T92-K95 PolarHBondContact O-N 3.44Å; K95-G97 PolarHBondContact O-N 2.75Å; K95-G97 VanDerWaalsContact O-N 3.16Å; K95-D237 IonicContact NZ-OD2 3.47Å; K95-D237 PolarHBondContact NZ-OD2 3.43Å; K95-K291 VanDerWaalsContact O-CD 3.31Å; K95-K291 WeakPolarHBondContact O-CD 3.38Å; K95-K291 WeakPolarHBondContact O-CE 3.38Å; K95-K291 PolarHBondContact O-NZ 2.88Å
96	L	96.1	Very high	98	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.9	175.4	-58.8	174.1	0	0	0	114.1	M59 T92 F93 I94 Y98 L236 S240 F288	M59-L96 WeakPolarHBondContact CG-O 3.33Å; T92-L96 HydrophobicContact CG2-CD1 4Å; T92-L96 HydrophobicContact CG2-CG 4.48Å; T92-L96 WeakPolarHBondContact O-CG 3.3Å; T92-L96 PolarHBondContact O-N 3.27Å; F93-L96 HydrophobicContact CD1-CD1 4.12Å; F93-L96 HydrophobicContact CE1-CD1 4.23Å; F93-L96 CarbonylContact O-C 3.57Å; F93-L96 PolarHBondContact O-N 3.47Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 2.95Å; L96-Y98 HydrophobicContact CB-CD2 3.99Å; L96-Y98 HydrophobicContact CB-CE2 4.13Å; L96-L236 HydrophobicContact CD1-CB 4.33Å; L96-L236 HydrophobicContact CD1-CD1 4.25Å; L96-L236 HydrophobicContact CD1-CD2 4.35Å; L96-S240 VanDerWaalsContact CD2-CB 3.43Å; L96-F288 HydrophobicContact CB-CD1 4.24Å; L96-F288 HydrophobicContact CD1-CD1 3.88Å; L96-F288 HydrophobicContact CD1-CE1 3.92Å; L96-F288 HydrophobicContact CD1-CG 4.23Å; L96-F288 HydrophobicContact CD1-CZ 4.32Å; L96-F288 HydrophobicContact CD2-CB 3.96Å; L96-F288 HydrophobicContact CD2-CD1 4.34Å; L96-F288 HydrophobicContact CD2-CG 4.16Å; L96-F288 HydrophobicContact CG-CD1 4.38Å
97	G	95.9	Very high	98	Very high	29 Å²	29	50 Å²	50	30%	0.299	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	12.9	172.3	0	0	0	0	0	115.5	F93 I94 K95	F93-G97 PolarHBondContact O-N 3.34Å; F93-G97 VanDerWaalsContact O-N 3.17Å; I94-G97 PolarHBondContact O-N 2.95Å; K95-G97 PolarHBondContact O-N 2.75Å; K95-G97 VanDerWaalsContact O-N 3.16Å
98	Y	97.8	Very high	98	Very high	10 Å²	10	48 Å²	48	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.3	176.8	-70.5	-100.5	0	0	0	112.2	M59 G60 C62 F93 L96 S128 V130 F288	M59-Y98 HydrophobicContact CB-CD1 4.38Å; M59-Y98 HydrophobicContact CB-CD2 4.03Å; M59-Y98 HydrophobicContact CB-CE1 4.31Å; M59-Y98 HydrophobicContact CB-CE2 3.96Å; M59-Y98 HydrophobicContact CB-CG 4.26Å; M59-Y98 HydrophobicContact CE-CE2 3.97Å; G60-Y98 WeakPolarHBondContact O-CA 3.38Å; C62-Y98 HydrophobicContact CB-CD1 4.13Å; C62-Y98 HydrophobicContact CB-CG 4.16Å; F93-Y98 HydrophobicContact CB-CD2 4.42Å; F93-Y98 AromaticContact CD1-CD2 3.72Å; F93-Y98 HydrophobicContact CD1-CD2 3.72Å; F93-Y98 AromaticContact CD1-CE2 3.9Å; F93-Y98 HydrophobicContact CD1-CE2 3.9Å; F93-Y98 HydrophobicContact CD1-CG 4.14Å; F93-Y98 HydrophobicContact CE1-CE2 4.37Å; F93-Y98 WeakPolarHBondContact O-CB 3.05Å; F93-Y98 PolarHBondContact O-N 3.24Å; L96-Y98 HydrophobicContact CB-CD2 3.99Å; L96-Y98 HydrophobicContact CB-CE2 4.13Å; Y98-S128 PolarHBondContact OH-OG 2.68Å; Y98-V130 HydrophobicContact CD1-CB 4.38Å; Y98-V130 HydrophobicContact CD1-CG2 4.09Å; Y98-V130 HydrophobicContact CE1-CB 4.07Å; Y98-V130 HydrophobicContact CE1-CG2 3.36Å; Y98-V130 HydrophobicContact CE2-CG2 4.41Å; Y98-F288 AromaticContact CE2-CD1 4Å; Y98-F288 HydrophobicContact CE2-CD1 4Å; Y98-F288 AromaticContact CE2-CE1 3.75Å; Y98-F288 HydrophobicContact CE2-CE1 3.75Å; Y98-F288 WeakPolarHBondContact OH-CE1 3.27Å
99	K	98.1	Very high	98	Very high	126 Å²	126	50.1 Å²	50.1	55%	0.548	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.2	166.1	-64.5	175.8	-176.7	171.9	0	108.4	G60 V61 C62	G60-K99 PolarHBondContact O-N 3.44Å; V61-K99 WeakPolarHBondContact CA-O 3.45Å; C62-K99 PolarHBondContact N-O 3.2Å
100	I	98.5	Very high	98	Very high	52 Å²	52	53.2 Å²	53.2	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.6	-177.8	-54.1	-52.3	0	0	0	110.5	C62 I64 A90 F93 I94 L102	C62-I100 HydrophobicContact CB-CD1 3.75Å; I64-I100 HydrophobicContact CD1-CG2 3.73Å; I64-I100 HydrophobicContact CG1-CG2 4.45Å; A90-I100 HydrophobicContact CB-CG1 4.43Å; A90-I100 HydrophobicContact CB-CG2 4.08Å; F93-I100 HydrophobicContact CB-CD1 3.69Å; I94-I100 HydrophobicContact CD1-CG1 3.85Å; I94-I100 HydrophobicContact CG1-CD1 4.04Å; I94-I100 HydrophobicContact CG1-CG1 3.36Å; I100-L102 HydrophobicContact CG2-CB 4.2Å
101	R	98.5	Very high	98	Very high	70 Å²	70	52.7 Å²	52.7	26%	0.264	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	98.5	165.2	-172.2	176.5	-59.6	174.1	4.5	108.2	V61 C62 L63 I64 E114 E121	V61-R101 HydrophobicContact CG1-CB 4.25Å; C62-R101 PolarHBondContact O-N 3.22Å; L63-R101 CarbonylContact C-O 3.56Å; L63-R101 WeakPolarHBondContact CA-O 3.23Å; L63-R101 HydrophobicContact CD1-CB 4.26Å; L63-R101 HydrophobicContact CD1-CG 4.09Å; I64-R101 PolarHBondContact N-O 2.99Å; R101-E114 WeakPolarHBondContact CD-OE1 3.22Å; R101-E114 IonicContact CZ-OE1 3.6Å; R101-E114 IonicContact NE-OE1 2.75Å; R101-E114 IonicContact NH1-OE1 3.53Å; R101-E114 PolarHBondContact NH1-OE1 3.4Å; R101-E121 IonicContact CZ-OE1 3.17Å; R101-E121 IonicContact NH1-OE1 3.38Å; R101-E121 PolarHBondContact NH1-OE1 3.35Å; R101-E121 IonicContact NH2-OE1 2.68Å; R101-E121 PolarHBondContact NH2-OE1 3.29Å; R101-E121 IonicContact NH2-OE2 2.74Å; R101-E121 PolarHBondContact NH2-OE2 2.77Å
102	L	98.7	Very high	97.9	Very high	72 Å²	72	48.9 Å²	48.9	38%	0.377	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.7	-178.8	173.3	62.2	0	0	0	110.2	I64 N66 A86 I100	I64-L102 HydrophobicContact CB-CD1 3.73Å; I64-L102 HydrophobicContact CG2-CD1 3.6Å; N66-L102 HydrophobicContact CB-CD1 4.09Å; A86-L102 HydrophobicContact CB-CD1 4.1Å; I100-L102 HydrophobicContact CG2-CB 4.2Å
103	L	98.8	Very high	97.9	Very high	35 Å²	35	55.1 Å²	55.1	18%	0.183	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.7	174.9	-55.7	-174.5	0	0	0	109.6	L63 I64 N66 Q106 E114	L63-L103 HydrophobicContact CD1-CD1 4.18Å; L63-L103 HydrophobicContact CD1-CG 4.3Å; I64-L103 PolarHBondContact O-N 3.01Å; N66-L103 PolarHBondContact N-O 3.48Å; L103-Q106 HydrophobicContact CB-CG 3.69Å; L103-Q106 HydrophobicContact CD1-CG 4.24Å; L103-E114 HydrophobicContact CD1-CB 3.94Å; L103-E114 HydrophobicContact CD1-CG 3.49Å; L103-E114 VanDerWaalsContact CD1-CG 3.49Å
104	N	98.8	Very high	97.9	Very high	79 Å²	79	56.8 Å²	56.8	42%	0.422	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.3	178.1	-65	-63.7	0	0	0	110.7	N66 Q106	N66-N104 WeakPolarHBondContact CB-OD1 3.42Å; N66-N104 PolarHBondContact ND2-OD1 3.43Å; N66-N104 CarbonylContact O-C 3.57Å; N66-N104 VanDerWaalsContact O-CA 3.28Å; N66-N104 WeakPolarHBondContact O-CA 3.41Å; N104-Q106 PolarHBondContact O-N 2.77Å; N104-Q106 PolarHBondContact O-NE2 3.01Å
105	D	98.5	Very high	97.9	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	51	57.4	169.7	-68.5	-22.7	0	0	0	113.6	N66 N67 K68 N69 T145	N66-D105 PolarHBondContact O-N 3.04Å; N67-D105 WeakPolarHBondContact OD1-CA 3.47Å; N67-D105 PolarHBondContact OD1-N 2.9Å; K68-D105 WeakPolarHBondContact CA-OD1 3.35Å; K68-D105 PolarHBondContact N-OD1 2.8Å; N69-D105 PolarHBondContact N-OD1 3.36Å; N69-D105 PolarHBondContact ND2-OD2 3.37Å; D105-T145 VanDerWaalsContact CA-CG2 3.47Å; D105-T145 HydrophobicContact CB-CG2 3.81Å; D105-T145 WeakPolarHBondContact O-CG2 3.3Å
106	Q	98.7	Very high	97.9	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.159	26%	0.257	C	S	.	.			trans	-87.5	133.7	-179.5	-60.4	-57.8	-63.2	0	0	112.4	I65 N67 L103 N104 N110 M111 G144 T145	I65-Q106 HydrophobicContact CG2-CB 4.17Å; I65-Q106 HydrophobicContact CG2-CG 4.15Å; N67-Q106 PolarHBondContact ND2-O 3.46Å; N67-Q106 PolarHBondContact OD1-N 3.43Å; L103-Q106 HydrophobicContact CB-CG 3.69Å; L103-Q106 HydrophobicContact CD1-CG 4.24Å; N104-Q106 PolarHBondContact O-N 2.77Å; N104-Q106 PolarHBondContact O-NE2 3.01Å; Q106-N110 HydrophobicContact CB-CB 4.34Å; Q106-N110 VanDerWaalsContact OE1-CB 3.29Å; Q106-M111 HydrophobicContact CB-CG 3.63Å; Q106-G144 CarbonylContact O-C 3.53Å; Q106-G144 VanDerWaalsContact O-CA 3.25Å; Q106-G144 WeakPolarHBondContact O-CA 3.42Å; Q106-T145 PolarHBondContact O-N 2.98Å
107	T	98.6	Very high	97.9	Very high	37 Å²	37	52.3 Å²	52.3	23%	0.227	27%	0.271	C	S	.	.			trans	-64.8	161.9	166.1	61.9	0	0	0	0	110.5	D109 N110 M111 T145 D146	T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.38Å; T107-N110 PolarHBondContact O-N 2.72Å; T107-N110 VanDerWaalsContact O-N 3.14Å; T107-N110 WeakPolarHBondContact OG1-CB 3.31Å; T107-N110 VanDerWaalsContact OG1-CG 3.25Å; T107-N110 PolarHBondContact OG1-N 2.9Å; T107-N110 PolarHBondContact OG1-ND2 3.42Å; T107-M111 WeakPolarHBondContact O-CG 3.26Å; T107-M111 PolarHBondContact O-N 3.48Å; T107-T145 PolarHBondContact N-OG1 2.89Å; T107-D146 WeakPolarHBondContact CA-OD1 3.49Å; T107-D146 VanDerWaalsContact CB-OD1 3.3Å; T107-D146 WeakPolarHBondContact CB-OD1 3.32Å; T107-D146 HydrophobicContact CG2-CB 4.25Å
108	V	98.2	Very high	97.9	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-53.7	-46.4	174.9	173.6	0	0	0	0	111	N110 M111 M112 D146 K149	V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.74Å; V108-M111 HydrophobicContact CG2-CE 4.22Å; V108-M111 PolarHBondContact O-N 3.48Å; V108-M112 HydrophobicContact CG1-CG 4.48Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 2.92Å; V108-D146 PolarHBondContact N-OD1 3.08Å; V108-K149 HydrophobicContact CG1-CB 3.88Å; V108-K149 HydrophobicContact CG1-CD 3.84Å; V108-K149 HydrophobicContact CG1-CG 4.49Å
109	D	98.2	Very high	97.7	Very high	99 Å²	99	50.8 Å²	50.8	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-37.7	179.9	-77.4	-8	0	0	0	112.6	T107 M112 K113	T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.38Å; D109-M112 PolarHBondContact O-N 2.88Å; D109-K113 WeakPolarHBondContact O-CB 3.13Å; D109-K113 VanDerWaalsContact O-CG 3.26Å; D109-K113 WeakPolarHBondContact O-CG 3.34Å; D109-K113 PolarHBondContact O-N 2.9Å
110	N	98.5	Very high	97.6	Very high	65 Å²	65	52 Å²	52	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-70.5	-39.2	177	-71.5	-7.5	0	0	0	111.8	Q106 T107 V108 M112 K113 E114	Q106-N110 HydrophobicContact CB-CB 4.34Å; Q106-N110 VanDerWaalsContact OE1-CB 3.29Å; T107-N110 PolarHBondContact O-N 2.72Å; T107-N110 VanDerWaalsContact O-N 3.14Å; T107-N110 WeakPolarHBondContact OG1-CB 3.31Å; T107-N110 VanDerWaalsContact OG1-CG 3.25Å; T107-N110 PolarHBondContact OG1-N 2.9Å; T107-N110 PolarHBondContact OG1-ND2 3.42Å; V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.74Å; N110-M112 VanDerWaalsContact C-N 3.31Å; N110-M112 PolarHBondContact O-N 3.31Å; N110-K113 PolarHBondContact O-N 2.72Å; N110-E114 WeakPolarHBondContact O-CB 3.32Å; N110-E114 PolarHBondContact O-N 3Å
111	M	98.4	Very high	97.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-44.5	172.7	-66	-167.6	-62.5	0	0	111.3	I65 Q106 T107 V108 E114 M115 G144 L154	I65-M111 HydrophobicContact CD1-CB 4.17Å; I65-M111 HydrophobicContact CD1-CG 3.97Å; I65-M111 HydrophobicContact CD1-SD 4.37Å; I65-M111 HydrophobicContact CG2-CG 4.01Å; I65-M111 HydrophobicContact CG2-SD 3.89Å; Q106-M111 HydrophobicContact CB-CG 3.63Å; T107-M111 WeakPolarHBondContact O-CG 3.26Å; T107-M111 PolarHBondContact O-N 3.48Å; V108-M111 HydrophobicContact CG2-CE 4.22Å; V108-M111 PolarHBondContact O-N 3.48Å; M111-E114 PolarHBondContact O-N 2.92Å; M111-M115 WeakPolarHBondContact O-CG 3.29Å; M111-M115 PolarHBondContact O-N 2.82Å; M111-G144 VanDerWaalsContact CE-CA 3.44Å; M111-L154 HydrophobicContact CB-CD1 3.86Å
112	M	97.4	Very high	97.4	Very high	46 Å²	46	54.4 Å²	54.4	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-46.1	177	-68.5	-69.2	-49.9	0	0	111.8	V108 D109 N110 E114 M115 D116 K149 T153 L154	V108-M112 HydrophobicContact CG1-CG 4.48Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.28Å; V108-M112 PolarHBondContact O-N 2.92Å; D109-M112 PolarHBondContact O-N 2.88Å; N110-M112 VanDerWaalsContact C-N 3.31Å; N110-M112 PolarHBondContact O-N 3.31Å; M112-E114 VanDerWaalsContact C-N 3.33Å; M112-E114 PolarHBondContact O-N 2.85Å; M112-M115 PolarHBondContact O-N 3.36Å; M112-D116 WeakPolarHBondContact O-CB 3.19Å; M112-D116 PolarHBondContact O-N 2.93Å; M112-K149 HydrophobicContact CG-CD 4.45Å; M112-K149 HydrophobicContact SD-CD 4Å; M112-T153 HydrophobicContact CE-CG2 4.19Å; M112-T153 WeakPolarHBondContact CE-O 3.35Å; M112-T153 HydrophobicContact SD-CG2 4.49Å; M112-L154 HydrophobicContact CG-CD1 4.35Å; M112-L154 HydrophobicContact SD-CB 4.27Å; M112-L154 HydrophobicContact SD-CD1 3.84Å
113	K	97.9	Very high	97.3	Very high	134 Å²	134	51 Å²	51	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-62	-40.4	177.9	-76.1	171.1	-174.8	171	0	112	D109 N110 D116 A117	D109-K113 WeakPolarHBondContact O-CB 3.13Å; D109-K113 VanDerWaalsContact O-CG 3.26Å; D109-K113 WeakPolarHBondContact O-CG 3.34Å; D109-K113 PolarHBondContact O-N 2.9Å; N110-K113 PolarHBondContact O-N 2.72Å; K113-D116 PolarHBondContact O-N 3.17Å; K113-A117 WeakPolarHBondContact O-CB 3.44Å; K113-A117 PolarHBondContact O-N 3.12Å
114	E	97.8	Very high	97.1	Very high	36 Å²	36	51.4 Å²	51.4	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-45.9	178.1	-176	62	-146.5	0	0	111.6	L63 R101 L103 N110 M111 M112 D116 A117 V118	L63-E114 HydrophobicContact CD1-CG 3.73Å; L63-E114 HydrophobicContact CD2-CG 3.9Å; R101-E114 WeakPolarHBondContact CD-OE1 3.22Å; R101-E114 IonicContact CZ-OE1 3.6Å; R101-E114 IonicContact NE-OE1 2.75Å; R101-E114 IonicContact NH1-OE1 3.53Å; R101-E114 PolarHBondContact NH1-OE1 3.4Å; L103-E114 HydrophobicContact CD1-CB 3.94Å; L103-E114 HydrophobicContact CD1-CG 3.49Å; L103-E114 VanDerWaalsContact CD1-CG 3.49Å; N110-E114 WeakPolarHBondContact O-CB 3.32Å; N110-E114 PolarHBondContact O-N 3Å; M111-E114 PolarHBondContact O-N 2.92Å; M112-E114 VanDerWaalsContact C-N 3.33Å; M112-E114 PolarHBondContact O-N 2.85Å; E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.99Å; E114-A117 WeakPolarHBondContact O-CB 3.33Å; E114-A117 PolarHBondContact O-N 3.24Å; E114-A117 VanDerWaalsContact O-N 3.17Å; E114-V118 WeakPolarHBondContact O-CG2 3.37Å; E114-V118 PolarHBondContact O-N 2.84Å
115	M	96.4	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-39.8	176.6	-74.5	-61.9	-57.8	0	0	111.7	L63 M111 M112 V118 A119 F129 L154 C157 I158 F173	L63-M115 HydrophobicContact CD2-SD 3.58Å; L63-M115 VanDerWaalsContact CD2-SD 3.58Å; M111-M115 WeakPolarHBondContact O-CG 3.29Å; M111-M115 PolarHBondContact O-N 2.82Å; M112-M115 PolarHBondContact O-N 3.36Å; M115-V118 PolarHBondContact O-N 3.07Å; M115-A119 WeakPolarHBondContact O-CB 3.24Å; M115-A119 PolarHBondContact O-N 3.02Å; M115-F129 HydrophobicContact CE-CE1 4.46Å; M115-L154 HydrophobicContact CB-CD1 4.2Å; M115-L154 HydrophobicContact CG-CD1 3.58Å; M115-L154 HydrophobicContact CG-CG 3.88Å; M115-C157 PolarHBondContact O-SG 3.36Å; M115-I158 HydrophobicContact CE-CD1 4.18Å; M115-I158 HydrophobicContact CE-CG1 4.17Å; M115-I158 HydrophobicContact CE-CG2 3.99Å; M115-F173 HydrophobicContact CE-CE1 4.16Å; M115-F173 HydrophobicContact CE-CZ 4.05Å
116	D	96	Very high	96.9	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-38.5	174	-178.3	65.2	0	0	0	112.5	M112 K113 E114 A119 K120	M112-D116 WeakPolarHBondContact O-CB 3.19Å; M112-D116 PolarHBondContact O-N 2.93Å; K113-D116 PolarHBondContact O-N 3.17Å; E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.99Å; D116-A119 PolarHBondContact O-N 3.15Å; D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.91Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.47Å; D116-K120 PolarHBondContact OD1-NZ 3.33Å; D116-K120 VanDerWaalsContact OD2-CE 3.3Å; D116-K120 WeakPolarHBondContact OD2-CE 3.44Å; D116-K120 IonicContact OD2-NZ 2.63Å; D116-K120 PolarHBondContact OD2-NZ 3.4Å
117	A	96.6	Very high	96.8	Very high	40 Å²	40	49 Å²	49	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-47.9	174.4	0	0	0	0	0	111	K113 E114 A119 K120 E121	K113-A117 WeakPolarHBondContact O-CB 3.44Å; K113-A117 PolarHBondContact O-N 3.12Å; E114-A117 WeakPolarHBondContact O-CB 3.33Å; E114-A117 PolarHBondContact O-N 3.24Å; E114-A117 VanDerWaalsContact O-N 3.17Å; A117-A119 PolarHBondContact O-N 3.41Å; A117-K120 PolarHBondContact O-N 3.32Å; A117-E121 PolarHBondContact O-N 3Å
118	V	96.1	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.9	-48.9	173.8	168.7	0	0	0	0	110.6	L63 E114 M115 K120 E121 H123 F129	L63-V118 HydrophobicContact CD2-CG2 4.32Å; E114-V118 WeakPolarHBondContact O-CG2 3.37Å; E114-V118 PolarHBondContact O-N 2.84Å; M115-V118 PolarHBondContact O-N 3.07Å; V118-K120 PolarHBondContact O-N 3.17Å; V118-E121 WeakPolarHBondContact O-CB 3.44Å; V118-E121 PolarHBondContact O-N 3.5Å; V118-H123 PolarHBondContact O-NE2 3.41Å; V118-F129 HydrophobicContact CG1-CD2 4.03Å; V118-F129 HydrophobicContact CG1-CE2 3.49Å; V118-F129 VanDerWaalsContact CG1-CE2 3.49Å; V118-F129 HydrophobicContact CG1-CZ 3.87Å
119	A	94.3	Very high	96.8	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-29.1	-179.2	0	0	0	0	0	113.8	M115 D116 A117 C157 I158 C163	M115-A119 WeakPolarHBondContact O-CB 3.24Å; M115-A119 PolarHBondContact O-N 3.02Å; D116-A119 PolarHBondContact O-N 3.15Å; A117-A119 PolarHBondContact O-N 3.41Å; A119-C157 HydrophobicContact CB-CB 3.94Å; A119-C157 WeakPolarHBondContact CB-O 3.44Å; A119-I158 HydrophobicContact CB-CG2 3.7Å; A119-C163 PolarHBondContact O-SG 3.43Å
120	K	95.4	Very high	96.8	Very high	153 Å²	153	42 Å²	42	67%	0.665	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7	179.9	-70.7	168.6	179.8	169.6	0	113.8	D116 A117 V118	D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.91Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.47Å; D116-K120 PolarHBondContact OD1-NZ 3.33Å; D116-K120 VanDerWaalsContact OD2-CE 3.3Å; D116-K120 WeakPolarHBondContact OD2-CE 3.44Å; D116-K120 IonicContact OD2-NZ 2.63Å; D116-K120 PolarHBondContact OD2-NZ 3.4Å; A117-K120 PolarHBondContact O-N 3.32Å; V118-K120 PolarHBondContact O-N 3.17Å
121	E	95.9	Very high	96.8	Very high	56 Å²	56	38.9 Å²	38.9	26%	0.262	20%	0.197	S	C	.	.	S	Bend	trans	-72.5	153.6	176.6	-70.9	172.1	-158.8	0	0	112	R101 A117 V118 H123 S165	R101-E121 IonicContact CZ-OE1 3.17Å; R101-E121 IonicContact NH1-OE1 3.38Å; R101-E121 PolarHBondContact NH1-OE1 3.35Å; R101-E121 IonicContact NH2-OE1 2.68Å; R101-E121 PolarHBondContact NH2-OE1 3.29Å; R101-E121 IonicContact NH2-OE2 2.74Å; R101-E121 PolarHBondContact NH2-OE2 2.77Å; A117-E121 PolarHBondContact O-N 3Å; V118-E121 WeakPolarHBondContact O-CB 3.44Å; V118-E121 PolarHBondContact O-N 3.5Å; E121-H123 PolarHBondContact O-CD2 2.86Å; E121-H123 PolarHBondContact O-N 2.93Å; E121-H123 IonicContact OE2-CE1 2.62Å; E121-S165 PolarHBondContact O-OG 2.93Å
122	D	96.3	Very high	96.8	Very high	116 Å²	116	38.7 Å²	38.7	62%	0.62	20%	0.196	S	C	*	.			trans	-81.7	104.9	169.2	-176.7	20.9	0	0	0	110.7	S124	D122-S124 VanDerWaalsContact CG-OG 3.26Å; D122-S124 WeakPolarHBondContact OD1-CB 3.43Å; D122-S124 PolarHBondContact OD1-N 2.88Å; D122-S124 PolarHBondContact OD1-OG 2.78Å; D122-S124 VanDerWaalsContact OD1-OG 3.08Å; D122-S124 PolarHBondContact OD2-OG 2.99Å
123	H	96.4	Very high	96.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.185	C	C	.	.			trans	-93.6	12.1	174.4	-54.4	-64.5	0	0	0	113.3	V118 E121 Q125 N126 C163 S165 L166 K169	V118-H123 PolarHBondContact O-NE2 3.41Å; E121-H123 PolarHBondContact O-CD2 2.86Å; E121-H123 PolarHBondContact O-N 2.93Å; E121-H123 IonicContact OE2-CE1 2.62Å; H123-Q125 PolarHBondContact O-N 2.77Å; H123-Q125 VanDerWaalsContact O-N 3.11Å; H123-N126 HydrophobicContact CB-CB 4.21Å; H123-N126 PolarHBondContact ND1-ND2 2.83Å; H123-N126 WeakPolarHBondContact O-CB 3.45Å; H123-N126 PolarHBondContact O-N 3.18Å; H123-C163 VanDerWaalsContact CD2-SG 3.6Å; H123-S165 WeakPolarHBondContact CB-OG 3.4Å; H123-S165 PolarHBondContact CD2-OG 2.83Å; H123-S165 PolarHBondContact N-OG 2.85Å; H123-S165 VanDerWaalsContact N-OG 3.13Å; H123-L166 HydrophobicContact CB-CD2 3.6Å; H123-L166 HydrophobicContact CB-CG 3.8Å; H123-L166 VanDerWaalsContact CD2-CG 3.43Å; H123-L166 WeakPolarHBondContact CD2-CG 3.44Å; H123-K169 PolarHBondContact O-NZ 2.61Å
124	S	95.1	Very high	96.9	Very high	42 Å²	42	30.2 Å²	30.2	29%	0.294	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.4	-178.5	65.4	0	0	0	0	112.6	Y56 D122 K169	Y56-S124 WeakPolarHBondContact CD1-O 3.27Å; Y56-S124 WeakPolarHBondContact CE1-O 3.49Å; D122-S124 VanDerWaalsContact CG-OG 3.26Å; D122-S124 WeakPolarHBondContact OD1-CB 3.43Å; D122-S124 PolarHBondContact OD1-N 2.88Å; D122-S124 PolarHBondContact OD1-OG 2.78Å; D122-S124 VanDerWaalsContact OD1-OG 3.08Å; D122-S124 PolarHBondContact OD2-OG 2.99Å; S124-K169 PolarHBondContact O-NZ 2.7Å
125	Q	96.6	Very high	96.8	Very high	105 Å²	105	28.7 Å²	28.7	49%	0.491	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.7	179.2	-54.4	-51.6	-54.8	0	0	114.8	Y56 P57 C58 H123	Y56-Q125 WeakPolarHBondContact CB-O 3.3Å; P57-Q125 WeakPolarHBondContact CD-O 3.49Å; P57-Q125 HydrophobicContact CG-CB 4.37Å; C58-Q125 PolarHBondContact N-O 3.46Å; C58-Q125 VanDerWaalsContact N-O 3.12Å; H123-Q125 PolarHBondContact O-N 2.77Å; H123-Q125 VanDerWaalsContact O-N 3.11Å
126	N	96.8	Very high	96.7	Very high	13 Å²	13	30.1 Å²	30.1	7%	0.07	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-97.3	141.5	177.7	-64	-21.7	0	0	0	110.5	C58 H123 K169	C58-N126 WeakPolarHBondContact CB-OD1 3.2Å; C58-N126 CarbonylContact O-C 3.5Å; C58-N126 VanDerWaalsContact O-CA 3.27Å; C58-N126 WeakPolarHBondContact O-CA 3.5Å; H123-N126 HydrophobicContact CB-CB 4.21Å; H123-N126 PolarHBondContact ND1-ND2 2.83Å; H123-N126 WeakPolarHBondContact O-CB 3.45Å; H123-N126 PolarHBondContact O-N 3.18Å; N126-K169 VanDerWaalsContact O-CD 3.24Å; N126-K169 WeakPolarHBondContact O-CD 3.26Å; N126-K169 WeakPolarHBondContact O-CE 2.82Å; N126-K169 PolarHBondContact O-NZ 3.42Å
127	A	96.9	Very high	96.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	15%	0.147	C	C	.	.	S	Bend	trans	-72.8	-33.5	171.8	0	0	0	0	0	112.6	Y56 C58 M59 P170	Y56-A127 VanDerWaalsContact CD2-CA 3.47Å; Y56-A127 HydrophobicContact CD2-CB 3.74Å; Y56-A127 HydrophobicContact CG-CB 4.23Å; C58-A127 PolarHBondContact O-N 2.77Å; M59-A127 HydrophobicContact CE-CB 4.46Å; M59-A127 PolarHBondContact O-N 3.39Å; M59-A127 HydrophobicContact SD-CB 3.95Å; A127-P170 WeakPolarHBondContact O-CD 3.21Å
128	S	97.5	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-160.6	176.5	-170.3	58.9	0	0	0	0	111.8	M59 G60 Y98 P170	M59-S128 PolarHBondContact O-N 2.81Å; M59-S128 VanDerWaalsContact O-O 3.13Å; M59-S128 PolarHBondContact O-OG 2.99Å; G60-S128 WeakPolarHBondContact CA-O 3.39Å; Y98-S128 PolarHBondContact OH-OG 2.68Å; S128-P170 CarbonylContact C-O 3.46Å; S128-P170 WeakPolarHBondContact CA-O 3.33Å; S128-P170 WeakPolarHBondContact CB-O 3.49Å
129	F	97.9	Very high	94.5	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.3	170.4	169.6	-108	0	0	0	110.1	V61 L63 M115 V118 C131 I158 L166 P170 L172 F173	V61-F129 HydrophobicContact CB-CD2 4.49Å; L63-F129 HydrophobicContact CB-CE2 4.26Å; L63-F129 HydrophobicContact CB-CZ 4.32Å; M115-F129 HydrophobicContact CE-CE1 4.46Å; V118-F129 HydrophobicContact CG1-CD2 4.03Å; V118-F129 HydrophobicContact CG1-CE2 3.49Å; V118-F129 VanDerWaalsContact CG1-CE2 3.49Å; V118-F129 HydrophobicContact CG1-CZ 3.87Å; F129-C131 HydrophobicContact CE1-CB 3.7Å; F129-C131 HydrophobicContact CZ-CB 3.73Å; F129-I158 HydrophobicContact CD1-CD1 4.19Å; F129-I158 HydrophobicContact CE1-CD1 4.03Å; F129-L166 HydrophobicContact CB-CD1 3.83Å; F129-L166 HydrophobicContact CB-CD2 3.96Å; F129-L166 HydrophobicContact CG-CD1 4.25Å; F129-P170 PolarHBondContact N-O 3.3Å; F129-L172 PolarHBondContact O-N 3.5Å; F129-F173 HydrophobicContact CE1-CE2 4.29Å; F129-F173 AromaticContact CE1-CZ 3.87Å; F129-F173 HydrophobicContact CE1-CZ 3.87Å
130	V	98.6	Very high	93.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.2	175	173.2	0	0	0	0	109.7	V61 C62 L63 F93 Y98 V132 L172 F174	V61-V130 PolarHBondContact O-N 2.8Å; C62-V130 CarbonylContact C-O 3.6Å; C62-V130 WeakPolarHBondContact CA-O 3.35Å; C62-V130 HydrophobicContact CB-CB 4.1Å; C62-V130 HydrophobicContact CB-CG1 4.25Å; C62-V130 VanDerWaalsContact SG-CG1 3.58Å; L63-V130 PolarHBondContact N-O 2.94Å; F93-V130 HydrophobicContact CD1-CG1 4.16Å; F93-V130 HydrophobicContact CD1-CG2 4.2Å; F93-V130 HydrophobicContact CE1-CB 4.25Å; F93-V130 HydrophobicContact CE1-CG1 3.71Å; F93-V130 HydrophobicContact CE1-CG2 3.74Å; F93-V130 HydrophobicContact CZ-CG1 3.93Å; Y98-V130 HydrophobicContact CD1-CB 4.38Å; Y98-V130 HydrophobicContact CD1-CG2 4.09Å; Y98-V130 HydrophobicContact CE1-CB 4.07Å; Y98-V130 HydrophobicContact CE1-CG2 3.36Å; Y98-V130 HydrophobicContact CE2-CG2 4.41Å; V130-V132 HydrophobicContact CG1-CG2 3.91Å; V130-L172 CarbonylContact C-O 3.45Å; V130-L172 WeakPolarHBondContact CA-O 3.42Å; V130-L172 HydrophobicContact CG2-CB 4.17Å; V130-L172 HydrophobicContact CG2-CD1 4.24Å; V130-F174 HydrophobicContact CG1-CD2 3.98Å; V130-F174 HydrophobicContact CG1-CE2 3.96Å
131	C	98.5	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.8	168.7	-174.5	0	0	0	0	110	L63 F129 L172 F173 F174	L63-C131 CarbonylContact O-C 3.06Å; L63-C131 WeakPolarHBondContact O-CA 3.38Å; F129-C131 HydrophobicContact CE1-CB 3.7Å; F129-C131 HydrophobicContact CZ-CB 3.73Å; C131-L172 PolarHBondContact N-O 2.92Å; C131-F173 HydrophobicContact CB-CD1 3.64Å; C131-F173 HydrophobicContact CB-CE1 3.41Å; C131-F173 VanDerWaalsContact CB-CE1 3.41Å; C131-F173 HydrophobicContact CB-CG 4.37Å; C131-F173 HydrophobicContact CB-CZ 3.96Å; C131-F173 CarbonylContact O-C 3.3Å; C131-F173 WeakPolarHBondContact O-CA 3.45Å; C131-F174 PolarHBondContact O-N 3.47Å
132	V	98.6	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.2	177.6	-172.9	0	0	0	0	108.9	L63 I64 I65 V89 F93 V130 L134 F174 I229	L63-V132 PolarHBondContact O-N 3.3Å; I64-V132 WeakPolarHBondContact CA-O 3.43Å; I64-V132 HydrophobicContact CG1-CB 4.37Å; I64-V132 HydrophobicContact CG2-CB 4.4Å; I65-V132 PolarHBondContact N-O 3.29Å; V89-V132 HydrophobicContact CG1-CB 4.09Å; V89-V132 HydrophobicContact CG1-CG1 4.07Å; V89-V132 HydrophobicContact CG1-CG2 3.69Å; V89-V132 HydrophobicContact CG2-CG1 4.18Å; F93-V132 HydrophobicContact CE2-CG2 4.5Å; V130-V132 HydrophobicContact CG1-CG2 3.91Å; V132-L134 HydrophobicContact CG1-CD2 3.74Å; V132-L134 HydrophobicContact CG1-CG 4.17Å; V132-F174 CarbonylContact C-O 3.54Å; V132-F174 WeakPolarHBondContact CA-O 3.29Å; V132-F174 HydrophobicContact CG1-CB 4.3Å; V132-F174 HydrophobicContact CG2-CB 4.19Å; V132-F174 HydrophobicContact CG2-CD2 4.11Å; V132-I229 HydrophobicContact CG1-CD1 4.43Å
133	L	98.3	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.3	-177.9	-59.1	175.8	0	0	0	109.3	I65 I142 L151 L154 F174 I175 Q176	I65-L133 HydrophobicContact CB-CD2 3.92Å; I65-L133 HydrophobicContact CD1-CD2 3.71Å; I65-L133 HydrophobicContact CG1-CD2 3.99Å; L133-I142 HydrophobicContact CB-CD1 3.49Å; L133-I142 VanDerWaalsContact CB-CD1 3.49Å; L133-I142 HydrophobicContact CD1-CD1 3.71Å; L133-I142 HydrophobicContact CG-CD1 4.09Å; L133-L151 HydrophobicContact CD1-CD1 3.5Å; L133-L151 VanDerWaalsContact CD1-CD1 3.5Å; L133-L154 HydrophobicContact CD1-CD2 4.07Å; L133-L154 HydrophobicContact CD2-CD2 4.33Å; L133-F174 PolarHBondContact N-O 3.16Å; L133-I175 HydrophobicContact CD1-CG1 4.35Å; L133-Q176 PolarHBondContact O-N 3.44Å
134	L	98.1	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	93.8	178.3	-46.9	176.6	0	0	0	108.2	I64 I65 N66 N67 R79 D85 A86 V132 Q176 I229	I64-L134 HydrophobicContact CG2-CD1 4.28Å; I65-L134 PolarHBondContact O-N 3.39Å; N66-L134 HydrophobicContact CB-CD1 4.42Å; N67-L134 PolarHBondContact N-O 3.49Å; R79-L134 VanDerWaalsContact NH1-C 3.33Å; R79-L134 PolarHBondContact NH1-O 3.24Å; R79-L134 VanDerWaalsContact NH1-O 3.09Å; D85-L134 HydrophobicContact CB-CD1 3.92Å; A86-L134 HydrophobicContact CB-CD1 3.87Å; V132-L134 HydrophobicContact CG1-CD2 3.74Å; V132-L134 HydrophobicContact CG1-CG 4.17Å; L134-Q176 HydrophobicContact CD2-CB 3.66Å; L134-Q176 HydrophobicContact CD2-CG 4.28Å; L134-I229 HydrophobicContact CD2-CD1 3.78Å; L134-I229 HydrophobicContact CD2-CG1 3.93Å
135	S	96.6	Very high	93.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.028	14%	0.138	C	C	.	.	S	Bend	trans	-150.5	-176.1	-177	-162.2	0	0	0	0	112.3	N67 F70 R79 Y143 Q176	N67-S135 WeakPolarHBondContact CB-OG 3.5Å; F70-S135 WeakPolarHBondContact CZ-OG 3.47Å; R79-S135 PolarHBondContact NE-O 3.13Å; S135-Y143 WeakPolarHBondContact CB-O 3.46Å; S135-Y143 PolarHBondContact OG-O 3.07Å; S135-Q176 PolarHBondContact N-O 3.24Å; S135-Q176 VanDerWaalsContact N-O 3.13Å; S135-Q176 VanDerWaalsContact O-O 3.04Å
136	H	93.6	Very high	93.8	Very high	30 Å²	30	25.2 Å²	25.2	14%	0.139	13%	0.126	C	C	.	.			trans	-76.9	158.8	159.6	-71.8	-63	0	0	0	110.4	F70 M76 K77 R79 Y143	F70-H136 AromaticContact CD2-CD2 3.65Å; F70-H136 AromaticContact CE2-CD2 3.32Å; F70-H136 WeakPolarHBondContact CE2-CD2 3.43Å; F70-H136 AromaticContact CE2-NE2 3.83Å; F70-H136 HydrophobicContact CZ-CB 4.46Å; F70-H136 AromaticContact CZ-CD2 3.52Å; M76-H136 HydrophobicContact CG-CB 4.32Å; M76-H136 HydrophobicContact SD-CB 3.86Å; K77-H136 PolarHBondContact O-NE2 3.37Å; R79-H136 VanDerWaalsContact CG-NE2 3.28Å; R79-H136 WeakPolarHBondContact CG-NE2 3.45Å; H136-Y143 HydrophobicContact CB-CD2 3.95Å; H136-Y143 HydrophobicContact CB-CG 4.06Å; H136-Y143 PolarHBondContact O-N 2.96Å
137	G	87.9	Confident	93.8	Very high	10 Å²	10	25.5 Å²	25.5	10%	0.103	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	161.4	177.1	0	0	0	0	0	110.6	V141 C178	G137-V141 VanDerWaalsContact CA-O 3.25Å; G137-V141 WeakPolarHBondContact CA-O 3.41Å; G137-C178 CarbonylContact C-O 3.56Å; G137-C178 WeakPolarHBondContact CA-O 3.19Å; G137-C178 CarbonylContact O-C 3.55Å; G137-C178 WeakPolarHBondContact O-CB 3.47Å; G137-C178 VanDerWaalsContact O-O 3.12Å
138	E	81.1	Confident	93.7	Very high	90 Å²	90	31.1 Å²	31.1	42%	0.421	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	139.2	176.4	-176.9	170.5	-159	0	0	106.6	E140 V141 C178	E138-E140 PolarHBondContact O-N 2.87Å; E138-V141 HydrophobicContact CB-CG2 4.36Å; E138-V141 PolarHBondContact N-O 3.01Å; E138-V141 WeakPolarHBondContact O-CG2 3.37Å; E138-V141 PolarHBondContact O-N 2.99Å; E138-C178 PolarHBondContact N-O 3.45Å
139	Q	75	Confident	93.6	Very high	152 Å²	152	34.7 Å²	34.7	71%	0.71	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	33.3	64.5	171.5	-65.8	-175.7	-15.3	0	0	115.6	V141 R179	Q139-V141 PolarHBondContact O-N 2.87Å; Q139-V141 VanDerWaalsContact O-N 3.12Å; Q139-R179 PolarHBondContact N-O 3.44Å
140	E	79.1	Confident	93.2	Very high	113 Å²	113	40.5 Å²	40.5	53%	0.528	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	0.5	177.6	-45.8	-172.1	135.9	0	0	117.1	E138 L151	E138-E140 PolarHBondContact O-N 2.87Å; E140-L151 PolarHBondContact O-N 2.86Å
141	V	89.4	Confident	92.8	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	152.5	169.9	-54.3	0	0	0	0	111.7	G137 E138 Q139 Y143 F148 K149 K150	G137-V141 VanDerWaalsContact CA-O 3.25Å; G137-V141 WeakPolarHBondContact CA-O 3.41Å; E138-V141 HydrophobicContact CB-CG2 4.36Å; E138-V141 PolarHBondContact N-O 3.01Å; E138-V141 WeakPolarHBondContact O-CG2 3.37Å; E138-V141 PolarHBondContact O-N 2.99Å; Q139-V141 PolarHBondContact O-N 2.87Å; Q139-V141 VanDerWaalsContact O-N 3.12Å; V141-Y143 HydrophobicContact CG2-CE2 4.3Å; V141-F148 HydrophobicContact CB-CB 4.32Å; V141-F148 HydrophobicContact CB-CD2 3.88Å; V141-F148 HydrophobicContact CB-CG 4.44Å; V141-F148 HydrophobicContact CG1-CD2 3.91Å; V141-F148 HydrophobicContact CG1-CE2 4.36Å; V141-F148 HydrophobicContact CG2-CB 4.11Å; V141-F148 HydrophobicContact CG2-CD2 3.78Å; V141-F148 HydrophobicContact CG2-CE2 4.49Å; V141-F148 HydrophobicContact CG2-CG 4.08Å; V141-K149 CarbonylContact C-O 3.52Å; V141-K149 VanDerWaalsContact CA-O 3.28Å; V141-K149 WeakPolarHBondContact CA-O 3.43Å; V141-K149 WeakPolarHBondContact CB-O 3.27Å; V141-K150 HydrophobicContact CG1-CG 4.24Å
142	I	94.4	Very high	92.3	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	171.7	-165.3	166.2	0	0	0	110.3	L133 F148 K149 L154	L133-I142 HydrophobicContact CB-CD1 3.49Å; L133-I142 VanDerWaalsContact CB-CD1 3.49Å; L133-I142 HydrophobicContact CD1-CD1 3.71Å; L133-I142 HydrophobicContact CG-CD1 4.09Å; I142-F148 VanDerWaalsContact O-CA 3.3Å; I142-F148 WeakPolarHBondContact O-CA 3.35Å; I142-K149 PolarHBondContact N-O 3.31Å; I142-K149 PolarHBondContact O-N 2.91Å; I142-L154 HydrophobicContact CG2-CD2 4.14Å
143	Y	97.2	Very high	91.9	Very high	17 Å²	17	48.2 Å²	48.2	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.9	-178.3	-79.6	-106	0	0	0	112	N67 M76 S135 H136 V141 G147 F148	N67-Y143 PolarHBondContact ND2-O 3.28Å; M76-Y143 HydrophobicContact CE-CE1 4.32Å; M76-Y143 HydrophobicContact CG-CD1 3.73Å; M76-Y143 HydrophobicContact CG-CE1 3.66Å; M76-Y143 HydrophobicContact CG-CG 4.36Å; M76-Y143 HydrophobicContact SD-CD1 4.48Å; M76-Y143 HydrophobicContact SD-CE1 4.14Å; M76-Y143 HydrophobicContact SD-CE2 4.43Å; S135-Y143 WeakPolarHBondContact CB-O 3.46Å; S135-Y143 PolarHBondContact OG-O 3.07Å; H136-Y143 HydrophobicContact CB-CD2 3.95Å; H136-Y143 HydrophobicContact CB-CG 4.06Å; H136-Y143 PolarHBondContact O-N 2.96Å; V141-Y143 HydrophobicContact CG2-CE2 4.3Å; Y143-G147 CarbonylContact C-O 3.59Å; Y143-G147 VanDerWaalsContact CA-O 3.29Å; Y143-G147 WeakPolarHBondContact CA-O 3.42Å; Y143-G147 WeakPolarHBondContact CD1-O 3.34Å; Y143-F148 HydrophobicContact CD1-CB 3.99Å; Y143-F148 HydrophobicContact CD1-CD1 4.44Å; Y143-F148 HydrophobicContact CD2-CB 3.89Å; Y143-F148 HydrophobicContact CE1-CB 4.06Å; Y143-F148 AromaticContact CE1-CD1 3.75Å; Y143-F148 HydrophobicContact CE1-CD1 3.75Å; Y143-F148 HydrophobicContact CE1-CG 4.34Å; Y143-F148 HydrophobicContact CE2-CB 3.94Å; Y143-F148 HydrophobicContact CE2-CD1 4.35Å; Y143-F148 HydrophobicContact CE2-CG 4.36Å; Y143-F148 HydrophobicContact CG-CB 3.91Å; Y143-F148 AromaticContact CZ-CD1 3.69Å
144	G	98	Very high	91.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.			trans	-82	179.7	149.7	0	0	0	0	0	109.8	F70 Q106 M111 D146 G147	F70-G144 WeakPolarHBondContact CD1-O 3.22Å; Q106-G144 CarbonylContact O-C 3.53Å; Q106-G144 VanDerWaalsContact O-CA 3.25Å; Q106-G144 WeakPolarHBondContact O-CA 3.42Å; M111-G144 VanDerWaalsContact CE-CA 3.44Å; G144-D146 PolarHBondContact O-N 3.09Å; G144-G147 PolarHBondContact N-O 2.85Å; G144-G147 VanDerWaalsContact O-O 3.06Å
145	T	98.3	Very high	91.1	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	24%	0.238	C	C	.	.	S	Bend	trans	-67.1	-20.1	178.6	56.1	0	0	0	0	113.6	N69 D71 D105 Q106 T107	N69-T145 WeakPolarHBondContact O-CG2 3.42Å; D71-T145 WeakPolarHBondContact CB-O 3.4Å; D71-T145 PolarHBondContact N-O 3.37Å; D105-T145 VanDerWaalsContact CA-CG2 3.47Å; D105-T145 HydrophobicContact CB-CG2 3.81Å; D105-T145 WeakPolarHBondContact O-CG2 3.3Å; Q106-T145 PolarHBondContact O-N 2.98Å; T107-T145 PolarHBondContact N-OG1 2.89Å
146	D	97.8	Very high	90.7	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	26%	0.255	C	S	.	.	S	Bend	trans	-113.6	-6.1	-170.6	63.6	-36.2	0	0	0	114.9	R73 T107 V108 G144	R73-D146 PolarHBondContact NE-O 3.11Å; R73-D146 PolarHBondContact NH2-O 2.76Å; T107-D146 WeakPolarHBondContact CA-OD1 3.49Å; T107-D146 VanDerWaalsContact CB-OD1 3.3Å; T107-D146 WeakPolarHBondContact CB-OD1 3.32Å; T107-D146 HydrophobicContact CG2-CB 4.25Å; V108-D146 PolarHBondContact N-OD1 3.08Å; G144-D146 PolarHBondContact O-N 3.09Å
147	G	96.6	Very high	90.4	Very high	18 Å²	18	51.9 Å²	51.9	19%	0.186	26%	0.255	C	S	.	.			trans	168.7	-158.3	-175.1	0	0	0	0	0	112.2	Y143 G144	Y143-G147 CarbonylContact C-O 3.59Å; Y143-G147 VanDerWaalsContact CA-O 3.29Å; Y143-G147 WeakPolarHBondContact CA-O 3.42Å; Y143-G147 WeakPolarHBondContact CD1-O 3.34Å; G144-G147 PolarHBondContact N-O 2.85Å; G144-G147 VanDerWaalsContact O-O 3.06Å
148	F	95.4	Very high	90.4	Very high	119 Å²	119	51.5 Å²	51.5	52%	0.522	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.1	-179	60.7	-94.1	0	0	0	112.2	V141 I142 Y143	V141-F148 HydrophobicContact CB-CB 4.32Å; V141-F148 HydrophobicContact CB-CD2 3.88Å; V141-F148 HydrophobicContact CB-CG 4.44Å; V141-F148 HydrophobicContact CG1-CD2 3.91Å; V141-F148 HydrophobicContact CG1-CE2 4.36Å; V141-F148 HydrophobicContact CG2-CB 4.11Å; V141-F148 HydrophobicContact CG2-CD2 3.78Å; V141-F148 HydrophobicContact CG2-CE2 4.49Å; V141-F148 HydrophobicContact CG2-CG 4.08Å; I142-F148 VanDerWaalsContact O-CA 3.3Å; I142-F148 WeakPolarHBondContact O-CA 3.35Å; Y143-F148 HydrophobicContact CD1-CB 3.99Å; Y143-F148 HydrophobicContact CD1-CD1 4.44Å; Y143-F148 HydrophobicContact CD2-CB 3.89Å; Y143-F148 HydrophobicContact CE1-CB 4.06Å; Y143-F148 AromaticContact CE1-CD1 3.75Å; Y143-F148 HydrophobicContact CE1-CD1 3.75Å; Y143-F148 HydrophobicContact CE1-CG 4.34Å; Y143-F148 HydrophobicContact CE2-CB 3.94Å; Y143-F148 HydrophobicContact CE2-CD1 4.35Å; Y143-F148 HydrophobicContact CE2-CG 4.36Å; Y143-F148 HydrophobicContact CG-CB 3.91Å; Y143-F148 AromaticContact CZ-CD1 3.69Å
149	K	94.4	Very high	90.6	Very high	76 Å²	76	48.5 Å²	48.5	33%	0.33	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.4	172.6	-155.3	162.7	-168.9	177.3	0	110.5	V108 M112 V141 I142 L151 T153	V108-K149 HydrophobicContact CG1-CB 3.88Å; V108-K149 HydrophobicContact CG1-CD 3.84Å; V108-K149 HydrophobicContact CG1-CG 4.49Å; M112-K149 HydrophobicContact CG-CD 4.45Å; M112-K149 HydrophobicContact SD-CD 4Å; V141-K149 CarbonylContact C-O 3.52Å; V141-K149 VanDerWaalsContact CA-O 3.28Å; V141-K149 WeakPolarHBondContact CA-O 3.43Å; V141-K149 WeakPolarHBondContact CB-O 3.27Å; I142-K149 PolarHBondContact N-O 3.31Å; I142-K149 PolarHBondContact O-N 2.91Å; K149-L151 PolarHBondContact O-N 2.94Å; K149-T153 HydrophobicContact CD-CG2 4.18Å
150	K	91.4	Very high	90.5	Very high	123 Å²	123	42.9 Å²	42.9	54%	0.535	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.9	171.9	-68.1	-172.1	176.6	-170	0	109.8	V141 E152 T153 L154	V141-K150 HydrophobicContact CG1-CG 4.24Å; K150-E152 PolarHBondContact O-N 2.95Å; K150-T153 PolarHBondContact O-N 2.95Å; K150-T153 VanDerWaalsContact O-N 3.08Å; K150-L154 PolarHBondContact O-N 2.9Å
151	L	89.3	Confident	90.2	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-39.7	176.2	175.7	64	0	0	0	111.2	L133 E140 K149 T153 L154 I155 I175 Y210	L133-L151 HydrophobicContact CD1-CD1 3.5Å; L133-L151 VanDerWaalsContact CD1-CD1 3.5Å; E140-L151 PolarHBondContact O-N 2.86Å; K149-L151 PolarHBondContact O-N 2.94Å; L151-T153 PolarHBondContact O-N 3.36Å; L151-L154 HydrophobicContact CD1-CD2 4.49Å; L151-L154 WeakPolarHBondContact O-CB 3.39Å; L151-L154 PolarHBondContact O-N 3.22Å; L151-I155 HydrophobicContact CD1-CG2 4.08Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.95Å; L151-I175 HydrophobicContact CD2-CD1 3.49Å; L151-I175 VanDerWaalsContact CD2-CD1 3.49Å; L151-I175 HydrophobicContact CD2-CG1 4.41Å; L151-Y210 HydrophobicContact CD2-CE1 3.83Å
152	E	87.8	Confident	89.8	Confident	106 Å²	106	53 Å²	53	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-55.1	-39.6	177.9	-177.9	172.5	-154.4	0	0	112.8	K150 L154 I155 E156 K159	K150-E152 PolarHBondContact O-N 2.95Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-I155 VanDerWaalsContact O-CG1 3.3Å; E152-I155 WeakPolarHBondContact O-CG1 3.35Å; E152-E156 WeakPolarHBondContact O-CB 3.34Å; E152-E156 PolarHBondContact O-N 3.48Å; E152-K159 IonicContact OE1-NZ 2.71Å
153	T	89.8	Confident	89.5	Confident	43 Å²	43	53 Å²	53	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-33.6	178.5	-50.4	0	0	0	0	112	M112 K149 K150 L151 E156	M112-T153 HydrophobicContact CE-CG2 4.19Å; M112-T153 WeakPolarHBondContact CE-O 3.35Å; M112-T153 HydrophobicContact SD-CG2 4.49Å; K149-T153 HydrophobicContact CD-CG2 4.18Å; K150-T153 PolarHBondContact O-N 2.95Å; K150-T153 VanDerWaalsContact O-N 3.08Å; L151-T153 PolarHBondContact O-N 3.36Å; T153-E156 WeakPolarHBondContact O-CB 3.42Å
154	L	90	Very high	89.1	Confident	4 Å²	4	58 Å²	58	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-39	179	179.7	62.8	0	0	0	112.2	M111 M112 M115 L133 I142 K150 L151 E152 E156	M111-L154 HydrophobicContact CB-CD1 3.86Å; M112-L154 HydrophobicContact CG-CD1 4.35Å; M112-L154 HydrophobicContact SD-CB 4.27Å; M112-L154 HydrophobicContact SD-CD1 3.84Å; M115-L154 HydrophobicContact CB-CD1 4.2Å; M115-L154 HydrophobicContact CG-CD1 3.58Å; M115-L154 HydrophobicContact CG-CG 3.88Å; L133-L154 HydrophobicContact CD1-CD2 4.07Å; L133-L154 HydrophobicContact CD2-CD2 4.33Å; I142-L154 HydrophobicContact CG2-CD2 4.14Å; K150-L154 PolarHBondContact O-N 2.9Å; L151-L154 HydrophobicContact CD1-CD2 4.49Å; L151-L154 WeakPolarHBondContact O-CB 3.39Å; L151-L154 PolarHBondContact O-N 3.22Å; E152-L154 VanDerWaalsContact C-N 3.35Å; L154-E156 VanDerWaalsContact C-N 3.33Å
155	I	89.7	Confident	88.8	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	28%	0.284	C	S	.	.	S	Bend	trans	-89.7	-3.1	-176.6	66.5	178.3	0	0	0	113	L151 E152 C157 I158 F173 Y208	L151-I155 HydrophobicContact CD1-CG2 4.08Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.95Å; E152-I155 VanDerWaalsContact O-CG1 3.3Å; E152-I155 WeakPolarHBondContact O-CG1 3.35Å; I155-C157 VanDerWaalsContact C-N 3.28Å; I155-C157 PolarHBondContact O-N 3.26Å; I155-I158 WeakPolarHBondContact O-CG1 3.09Å; I155-I158 PolarHBondContact O-N 3.47Å; I155-F173 HydrophobicContact CB-CE1 4.33Å; I155-F173 HydrophobicContact CB-CZ 4.22Å; I155-F173 HydrophobicContact CG2-CD1 3.98Å; I155-F173 HydrophobicContact CG2-CE1 3.37Å; I155-F173 HydrophobicContact CG2-CZ 3.74Å; I155-Y208 HydrophobicContact CD1-CE1 3.45Å; I155-Y208 VanDerWaalsContact CD1-CE1 3.45Å; I155-Y208 WeakPolarHBondContact CD1-OH 3.42Å
156	E	89	Confident	88.6	Confident	82 Å²	82	58.3 Å²	58.3	38%	0.383	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.7	-39.1	-171.4	-173.3	176.1	-179.4	0	0	111.9	E152 T153 L154 I158 K159 R162	E152-E156 WeakPolarHBondContact O-CB 3.34Å; E152-E156 PolarHBondContact O-N 3.48Å; T153-E156 WeakPolarHBondContact O-CB 3.42Å; L154-E156 VanDerWaalsContact C-N 3.33Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 2.89Å; E156-K159 WeakPolarHBondContact O-CB 3.38Å; E156-K159 PolarHBondContact O-N 3.47Å; E156-R162 VanDerWaalsContact CD-NH1 3.35Å; E156-R162 PolarHBondContact O-NE 3.29Å; E156-R162 PolarHBondContact O-NH2 2.93Å; E156-R162 IonicContact OE1-CZ 3.47Å; E156-R162 IonicContact OE1-NH1 3.9Å; E156-R162 PolarHBondContact OE1-NH1 3.09Å; E156-R162 IonicContact OE1-NH2 2.72Å; E156-R162 PolarHBondContact OE1-NH2 3.1Å
157	C	87.5	Confident	88.2	Confident	21 Å²	21	60.1 Å²	60.1	14%	0.142	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-65.4	-24.5	-176.4	56.3	0	0	0	0	114.7	M115 A119 I155 R162	M115-C157 PolarHBondContact O-SG 3.36Å; A119-C157 HydrophobicContact CB-CB 3.94Å; A119-C157 WeakPolarHBondContact CB-O 3.44Å; I155-C157 VanDerWaalsContact C-N 3.28Å; I155-C157 PolarHBondContact O-N 3.26Å; C157-R162 WeakPolarHBondContact O-CB 3.14Å
158	I	88.2	Confident	87.8	Confident	2 Å²	2	61 Å²	61	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-94.3	2.8	-178.7	61.5	149.8	0	0	0	113.4	M115 A119 F129 I155 E156 F173 F206	M115-I158 HydrophobicContact CE-CD1 4.18Å; M115-I158 HydrophobicContact CE-CG1 4.17Å; M115-I158 HydrophobicContact CE-CG2 3.99Å; A119-I158 HydrophobicContact CB-CG2 3.7Å; F129-I158 HydrophobicContact CD1-CD1 4.19Å; F129-I158 HydrophobicContact CE1-CD1 4.03Å; I155-I158 WeakPolarHBondContact O-CG1 3.09Å; I155-I158 PolarHBondContact O-N 3.47Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 2.89Å; I158-F173 HydrophobicContact CD1-CE2 3.51Å; I158-F173 HydrophobicContact CD1-CZ 3.3Å; I158-F173 HydrophobicContact CG1-CZ 4.4Å; I158-F206 HydrophobicContact CD1-CE1 3.72Å; I158-F206 HydrophobicContact CD1-CZ 4.1Å; I158-F206 HydrophobicContact CG1-CE1 4.34Å; I158-F206 HydrophobicContact CG1-CZ 4.35Å
159	K	84.4	Confident	87.8	Confident	28 Å²	28	56 Å²	56	12%	0.122	28%	0.277	C	S	.	.	S	Bend	trans	-83	143.9	-178.7	-79.1	-174.6	-179.3	176.9	0	112.6	E152 E156 R161 R162 E203 F206	E152-K159 IonicContact OE1-NZ 2.71Å; E156-K159 WeakPolarHBondContact O-CB 3.38Å; E156-K159 PolarHBondContact O-N 3.47Å; K159-R161 PolarHBondContact O-N 2.93Å; K159-R162 WeakPolarHBondContact O-CB 3.32Å; K159-R162 PolarHBondContact O-N 2.92Å; K159-R162 VanDerWaalsContact O-N 3.08Å; K159-E203 WeakPolarHBondContact CA-OE2 3.38Å; K159-E203 WeakPolarHBondContact CB-OE1 3.5Å; K159-E203 WeakPolarHBondContact CB-OE2 3.15Å; K159-E203 VanDerWaalsContact CG-OE2 3.28Å; K159-E203 WeakPolarHBondContact CG-OE2 3.37Å; K159-F206 HydrophobicContact CG-CE2 4.19Å; K159-F206 HydrophobicContact CG-CZ 3.77Å
160	G	73.8	Confident	87.9	Confident	33 Å²	33	52.4 Å²	52.4	34%	0.34	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	42.8	-126.2	173.8	0	0	0	0	0	115.1	R162 C163 E203	G160-R162 PolarHBondContact O-N 3.38Å; G160-C163 PolarHBondContact O-N 3.5Å; G160-E203 PolarHBondContact N-OE2 3.23Å
161	R	72.3	Confident	88.1	Confident	225 Å²	225	46.9 Å²	46.9	85%	0.849	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-71.3	-9	-176.3	-69.6	-172.6	174.7	176.9	-1.1	114.9	K159 C163 M164	K159-R161 PolarHBondContact O-N 2.93Å; R161-C163 VanDerWaalsContact C-N 3.27Å; R161-M164 HydrophobicContact CB-SD 4.04Å; R161-M164 HydrophobicContact CG-SD 3.94Å
162	R	81.7	Confident	88.6	Confident	129 Å²	129	46.3 Å²	46.3	49%	0.487	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-75.7	-19.2	178.3	-66.9	-175.7	-77.9	-137.1	-8.2	112.5	E156 C157 K159 G160	E156-R162 VanDerWaalsContact CD-NH1 3.35Å; E156-R162 PolarHBondContact O-NE 3.29Å; E156-R162 PolarHBondContact O-NH2 2.93Å; E156-R162 IonicContact OE1-CZ 3.47Å; E156-R162 IonicContact OE1-NH1 3.9Å; E156-R162 PolarHBondContact OE1-NH1 3.09Å; E156-R162 IonicContact OE1-NH2 2.72Å; E156-R162 PolarHBondContact OE1-NH2 3.1Å; C157-R162 WeakPolarHBondContact O-CB 3.14Å; K159-R162 WeakPolarHBondContact O-CB 3.32Å; K159-R162 PolarHBondContact O-N 2.92Å; K159-R162 VanDerWaalsContact O-N 3.08Å; G160-R162 PolarHBondContact O-N 3.38Å
163	C	87.3	Confident	89	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.027	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-136.5	76.7	172.1	-168.7	0	0	0	0	110.8	A119 H123 G160 R161 S165 L166	A119-C163 PolarHBondContact O-SG 3.43Å; H123-C163 VanDerWaalsContact CD2-SG 3.6Å; G160-C163 PolarHBondContact O-N 3.5Å; R161-C163 VanDerWaalsContact C-N 3.27Å; C163-S165 PolarHBondContact O-N 3.19Å; C163-L166 PolarHBondContact O-N 3Å; C163-L166 VanDerWaalsContact O-N 3.16Å
164	M	87.8	Confident	89.4	Confident	123 Å²	123	39.2 Å²	39.2	61%	0.606	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-58.5	-31.9	-175	-72.7	-60.9	-58.8	0	0	113.7	R161 L166 V167	R161-M164 HydrophobicContact CB-SD 4.04Å; R161-M164 HydrophobicContact CG-SD 3.94Å; M164-L166 PolarHBondContact O-N 3.47Å; M164-V167 PolarHBondContact O-N 3.47Å; M164-V167 HydrophobicContact SD-CG2 4.37Å
165	S	93.1	Very high	89.7	Confident	27 Å²	27	39.3 Å²	39.3	19%	0.189	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-72.4	-11	-177.7	60.4	0	0	0	0	113.9	E121 H123 C163 K169	E121-S165 PolarHBondContact O-OG 2.93Å; H123-S165 WeakPolarHBondContact CB-OG 3.4Å; H123-S165 PolarHBondContact CD2-OG 2.83Å; H123-S165 PolarHBondContact N-OG 2.85Å; H123-S165 VanDerWaalsContact N-OG 3.13Å; C163-S165 PolarHBondContact O-N 3.19Å; S165-K169 PolarHBondContact O-NZ 2.83Å
166	L	92.4	Very high	89.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-107.9	3.8	174.6	-72.5	176.9	0	0	0	114.5	H123 F129 C163 M164 G168 K169 K171	H123-L166 HydrophobicContact CB-CD2 3.6Å; H123-L166 HydrophobicContact CB-CG 3.8Å; H123-L166 VanDerWaalsContact CD2-CG 3.43Å; H123-L166 WeakPolarHBondContact CD2-CG 3.44Å; F129-L166 HydrophobicContact CB-CD1 3.83Å; F129-L166 HydrophobicContact CB-CD2 3.96Å; F129-L166 HydrophobicContact CG-CD1 4.25Å; C163-L166 PolarHBondContact O-N 3Å; C163-L166 VanDerWaalsContact O-N 3.16Å; M164-L166 PolarHBondContact O-N 3.47Å; L166-G168 PolarHBondContact O-N 3.2Å; L166-K169 HydrophobicContact CD2-CB 4.44Å; L166-K169 HydrophobicContact CD2-CD 4.41Å; L166-K169 PolarHBondContact O-N 2.85Å; L166-K171 HydrophobicContact CB-CD 4.24Å; L166-K171 HydrophobicContact CD1-CG 4.4Å; L166-K171 PolarHBondContact O-NZ 3.37Å
167	V	89.9	Confident	89.8	Confident	81 Å²	81	35.6 Å²	35.6	49%	0.491	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	132.5	174.1	174.4	0	0	0	0	109.6	M164 K169	M164-V167 PolarHBondContact O-N 3.47Å; M164-V167 HydrophobicContact SD-CG2 4.37Å; V167-K169 PolarHBondContact O-N 3.08Å
168	G	89.3	Confident	89.4	Confident	37 Å²	37	35.6 Å²	35.6	38%	0.381	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	4	-178.3	0	0	0	0	0	114.9	Y52 L166 D205	Y52-G168 WeakPolarHBondContact CE1-O 3.32Å; L166-G168 PolarHBondContact O-N 3.2Å; G168-D205 WeakPolarHBondContact CA-OD2 3.2Å; G168-D205 PolarHBondContact N-OD2 2.89Å
169	K	94.7	Very high	88.7	Confident	14 Å²	14	36.4 Å²	36.4	6%	0.061	19%	0.185	C	C	.	.	S	Bend	trans	-114.3	144	-178.3	-63.9	-179.6	-179.8	-178	0	111.3	H123 S124 N126 S165 L166 V167 K171 D205	H123-K169 PolarHBondContact O-NZ 2.61Å; S124-K169 PolarHBondContact O-NZ 2.7Å; N126-K169 VanDerWaalsContact O-CD 3.24Å; N126-K169 WeakPolarHBondContact O-CD 3.26Å; N126-K169 WeakPolarHBondContact O-CE 2.82Å; N126-K169 PolarHBondContact O-NZ 3.42Å; S165-K169 PolarHBondContact O-NZ 2.83Å; L166-K169 HydrophobicContact CD2-CB 4.44Å; L166-K169 HydrophobicContact CD2-CD 4.41Å; L166-K169 PolarHBondContact O-N 2.85Å; V167-K169 PolarHBondContact O-N 3.08Å; K169-K171 PolarHBondContact O-N 3.37Å; K169-K171 PolarHBondContact O-NZ 3.45Å; K169-D205 WeakPolarHBondContact O-CB 3.05Å
170	P	96.6	Very high	88.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.185	C	C	.	.			trans	-62	133.6	-180	-22.9	34.7	0	0	0	112.7	Y52 A127 S128 F129 L172 D205 L282 F286	Y52-P170 HydrophobicContact CD1-CG 3.73Å; Y52-P170 HydrophobicContact CD2-CG 3.56Å; Y52-P170 HydrophobicContact CE1-CG 4Å; Y52-P170 HydrophobicContact CE2-CG 3.79Å; Y52-P170 HydrophobicContact CG-CG 3.51Å; A127-P170 WeakPolarHBondContact O-CD 3.21Å; S128-P170 CarbonylContact C-O 3.46Å; S128-P170 WeakPolarHBondContact CA-O 3.33Å; S128-P170 WeakPolarHBondContact CB-O 3.49Å; F129-P170 PolarHBondContact N-O 3.3Å; P170-L172 HydrophobicContact CB-CD2 4.01Å; P170-L172 HydrophobicContact CB-CG 4.3Å; P170-D205 CarbonylContact C-O 3.59Å; P170-D205 WeakPolarHBondContact CA-O 3.48Å; P170-L282 HydrophobicContact CB-CD2 4.19Å; P170-F286 HydrophobicContact CB-CD2 4.2Å; P170-F286 HydrophobicContact CB-CE2 4.32Å; P170-F286 HydrophobicContact CG-CD2 3.52Å; P170-F286 HydrophobicContact CG-CE2 3.8Å; P170-F286 HydrophobicContact CG-CG 4.2Å
171	K	96.6	Very high	87.6	Confident	7 Å²	7	37.8 Å²	37.8	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	99.6	175.3	-68	161.6	-70.9	-72.4	0	108	L166 K169 F173 D205 F206 M207	L166-K171 HydrophobicContact CB-CD 4.24Å; L166-K171 HydrophobicContact CD1-CG 4.4Å; L166-K171 PolarHBondContact O-NZ 3.37Å; K169-K171 PolarHBondContact O-N 3.37Å; K169-K171 PolarHBondContact O-NZ 3.45Å; K171-F173 HydrophobicContact CB-CE2 4.45Å; K171-D205 PolarHBondContact N-O 3.11Å; K171-F206 HydrophobicContact CB-CD1 3.71Å; K171-F206 HydrophobicContact CB-CE1 3.78Å; K171-F206 HydrophobicContact CB-CG 4.15Å; K171-F206 HydrophobicContact CB-CZ 4.26Å; K171-F206 HydrophobicContact CD-CD1 4.44Å; K171-F206 HydrophobicContact CD-CD2 4.26Å; K171-F206 HydrophobicContact CD-CE1 3.9Å; K171-F206 HydrophobicContact CD-CE2 3.69Å; K171-F206 HydrophobicContact CD-CZ 3.48Å; K171-F206 VanDerWaalsContact CD-CZ 3.48Å; K171-F206 VanDerWaalsContact CE-CD2 3.44Å; K171-F206 HydrophobicContact CG-CE1 4.42Å; K171-F206 HydrophobicContact CG-CZ 4.46Å; K171-F206 WeakPolarHBondContact O-CA 3.38Å; K171-M207 PolarHBondContact O-N 2.89Å
172	L	97.8	Very high	86.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.1	-168.2	-49.8	-179.6	0	0	0	110.3	F129 V130 C131 P170 F174 M207 L245 L282 F286 F288	F129-L172 PolarHBondContact O-N 3.5Å; V130-L172 CarbonylContact C-O 3.45Å; V130-L172 WeakPolarHBondContact CA-O 3.42Å; V130-L172 HydrophobicContact CG2-CB 4.17Å; V130-L172 HydrophobicContact CG2-CD1 4.24Å; C131-L172 PolarHBondContact N-O 2.92Å; P170-L172 HydrophobicContact CB-CD2 4.01Å; P170-L172 HydrophobicContact CB-CG 4.3Å; L172-F174 HydrophobicContact CB-CE2 3.85Å; L172-F174 HydrophobicContact CB-CZ 4.26Å; L172-M207 HydrophobicContact CD2-CB 3.79Å; L172-M207 HydrophobicContact CD2-CE 4.22Å; L172-L245 HydrophobicContact CD1-CD2 3.83Å; L172-L245 HydrophobicContact CD2-CD2 3.71Å; L172-L245 HydrophobicContact CG-CD2 4.42Å; L172-L282 HydrophobicContact CD2-CD1 4.42Å; L172-L282 HydrophobicContact CD2-CD2 4.23Å; L172-F286 HydrophobicContact CD1-CD1 4.1Å; L172-F286 HydrophobicContact CD1-CE1 3.74Å; L172-F286 HydrophobicContact CD1-CZ 4.42Å; L172-F288 HydrophobicContact CD1-CZ 4.17Å
173	F	97.3	Very high	85.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.2	179	-77.5	-95.7	0	0	0	110.3	M115 F129 C131 I155 I158 K171 I175 F206 M207 Y208 A209	M115-F173 HydrophobicContact CE-CE1 4.16Å; M115-F173 HydrophobicContact CE-CZ 4.05Å; F129-F173 HydrophobicContact CE1-CE2 4.29Å; F129-F173 AromaticContact CE1-CZ 3.87Å; F129-F173 HydrophobicContact CE1-CZ 3.87Å; C131-F173 HydrophobicContact CB-CD1 3.64Å; C131-F173 HydrophobicContact CB-CE1 3.41Å; C131-F173 VanDerWaalsContact CB-CE1 3.41Å; C131-F173 HydrophobicContact CB-CG 4.37Å; C131-F173 HydrophobicContact CB-CZ 3.96Å; C131-F173 CarbonylContact O-C 3.3Å; C131-F173 WeakPolarHBondContact O-CA 3.45Å; I155-F173 HydrophobicContact CB-CE1 4.33Å; I155-F173 HydrophobicContact CB-CZ 4.22Å; I155-F173 HydrophobicContact CG2-CD1 3.98Å; I155-F173 HydrophobicContact CG2-CE1 3.37Å; I155-F173 HydrophobicContact CG2-CZ 3.74Å; I158-F173 HydrophobicContact CD1-CE2 3.51Å; I158-F173 HydrophobicContact CD1-CZ 3.3Å; I158-F173 HydrophobicContact CG1-CZ 4.4Å; K171-F173 HydrophobicContact CB-CE2 4.45Å; F173-I175 HydrophobicContact CB-CD1 4.12Å; F173-I175 HydrophobicContact CB-CG1 4.41Å; F173-F206 HydrophobicContact CD2-CD1 4.2Å; F173-F206 HydrophobicContact CD2-CE1 4.49Å; F173-F206 HydrophobicContact CE2-CD1 4.01Å; F173-F206 AromaticContact CE2-CE1 3.84Å; F173-F206 HydrophobicContact CE2-CE1 3.84Å; F173-M207 PolarHBondContact N-O 3.1Å; F173-Y208 HydrophobicContact CB-CD1 3.67Å; F173-Y208 HydrophobicContact CB-CE1 4.18Å; F173-Y208 HydrophobicContact CD2-CD1 4.26Å; F173-Y208 AromaticContact CD2-CE1 3.94Å; F173-Y208 HydrophobicContact CD2-CE1 3.94Å; F173-Y208 AromaticContact CG-CD1 4Å; F173-Y208 HydrophobicContact CG-CD1 4Å; F173-Y208 AromaticContact CG-CE1 3.99Å; F173-Y208 HydrophobicContact CG-CE1 3.99Å; F173-Y208 CarbonylContact O-C 3.58Å; F173-A209 PolarHBondContact O-N 3.4Å
174	F	98	Very high	84.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.2	174.3	-57.3	-86	0	0	0	109.2	F93 V130 C131 V132 L133 L172 M207 A209 F228 L232 M249	F93-F174 HydrophobicContact CE1-CE2 4.31Å; F93-F174 HydrophobicContact CZ-CD2 4.15Å; F93-F174 AromaticContact CZ-CE2 3.69Å; F93-F174 HydrophobicContact CZ-CE2 3.69Å; F93-F174 HydrophobicContact CZ-CZ 4.25Å; V130-F174 HydrophobicContact CG1-CD2 3.98Å; V130-F174 HydrophobicContact CG1-CE2 3.96Å; C131-F174 PolarHBondContact O-N 3.47Å; V132-F174 CarbonylContact C-O 3.54Å; V132-F174 WeakPolarHBondContact CA-O 3.29Å; V132-F174 HydrophobicContact CG1-CB 4.3Å; V132-F174 HydrophobicContact CG2-CB 4.19Å; V132-F174 HydrophobicContact CG2-CD2 4.11Å; L133-F174 PolarHBondContact N-O 3.16Å; L172-F174 HydrophobicContact CB-CE2 3.85Å; L172-F174 HydrophobicContact CB-CZ 4.26Å; F174-M207 HydrophobicContact CE1-CE 3.74Å; F174-M207 HydrophobicContact CZ-CE 3.84Å; F174-A209 WeakPolarHBondContact CA-O 3.33Å; F174-A209 HydrophobicContact CD1-CB 3.71Å; F174-A209 HydrophobicContact CE1-CB 4.12Å; F174-F228 HydrophobicContact CD1-CZ 4.42Å; F174-L232 HydrophobicContact CB-CD2 4.14Å; F174-L232 HydrophobicContact CD1-CD1 3.99Å; F174-L232 HydrophobicContact CD1-CD2 3.46Å; F174-L232 VanDerWaalsContact CD1-CD2 3.46Å; F174-L232 HydrophobicContact CD1-CG 4.39Å; F174-L232 HydrophobicContact CE1-CD1 3.72Å; F174-L232 HydrophobicContact CE1-CD2 4Å; F174-L232 HydrophobicContact CG-CD2 3.85Å; F174-M249 HydrophobicContact CE1-SD 4.04Å
175	I	96	Very high	83.7	Confident	6 Å²	6	31 Å²	31	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	102	-164.5	-58.6	150.3	0	0	0	109.3	L133 L151 F173 A177 Y208 A209 Y210 S211	L133-I175 HydrophobicContact CD1-CG1 4.35Å; L151-I175 HydrophobicContact CD2-CD1 3.49Å; L151-I175 VanDerWaalsContact CD2-CD1 3.49Å; L151-I175 HydrophobicContact CD2-CG1 4.41Å; F173-I175 HydrophobicContact CB-CD1 4.12Å; F173-I175 HydrophobicContact CB-CG1 4.41Å; I175-A177 HydrophobicContact CG2-CB 4.22Å; I175-A177 PolarHBondContact O-N 3.19Å; I175-Y208 HydrophobicContact CD1-CD1 4.22Å; I175-A209 PolarHBondContact N-O 3.02Å; I175-Y210 HydrophobicContact CB-CD1 3.98Å; I175-Y210 HydrophobicContact CB-CE1 4.38Å; I175-Y210 HydrophobicContact CD1-CD1 3.82Å; I175-Y210 HydrophobicContact CD1-CE1 3.45Å; I175-Y210 VanDerWaalsContact CD1-CE1 3.45Å; I175-Y210 HydrophobicContact CG2-CD1 4.02Å; I175-Y210 HydrophobicContact CG2-CE1 4.33Å; I175-S211 PolarHBondContact O-N 3.28Å; I175-S211 PolarHBondContact O-OG 3.26Å
176	Q	94.3	Very high	81.6	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	85	171.5	176	53.2	52.1	0	0	109.2	L133 L134 S135 S211 S218 S226 F228 I229	L133-Q176 PolarHBondContact O-N 3.44Å; L134-Q176 HydrophobicContact CD2-CB 3.66Å; L134-Q176 HydrophobicContact CD2-CG 4.28Å; S135-Q176 PolarHBondContact N-O 3.24Å; S135-Q176 VanDerWaalsContact N-O 3.13Å; S135-Q176 VanDerWaalsContact O-O 3.04Å; Q176-S211 PolarHBondContact OE1-OG 3.1Å; Q176-S218 PolarHBondContact NE2-OG 2.87Å; Q176-S218 PolarHBondContact OE1-OG 2.89Å; Q176-S226 PolarHBondContact OE1-OG 3.47Å; Q176-F228 HydrophobicContact CB-CD1 4.48Å; Q176-I229 HydrophobicContact CB-CD1 4.19Å; Q176-I229 HydrophobicContact CB-CG1 4.05Å; Q176-I229 HydrophobicContact CG-CG1 4.19Å
177	A	87.3	Confident	79.9	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.041	22%	0.221	C	C	.	.	S	Bend	trans	-147.5	152.7	173.2	0	0	0	0	0	109	I175 S211	I175-A177 HydrophobicContact CG2-CB 4.22Å; I175-A177 PolarHBondContact O-N 3.19Å; A177-S211 PolarHBondContact O-OG 2.88Å
178	C	79.4	Confident	78.1	Confident	20 Å²	20	43.7 Å²	43.7	14%	0.135	24%	0.241	C	C	.	.			trans	-65.6	152.7	170.3	-60.7	0	0	0	0	109.7	G137 E138	G137-C178 CarbonylContact C-O 3.56Å; G137-C178 WeakPolarHBondContact CA-O 3.19Å; G137-C178 CarbonylContact O-C 3.55Å; G137-C178 WeakPolarHBondContact O-CB 3.47Å; G137-C178 VanDerWaalsContact O-O 3.12Å; E138-C178 PolarHBondContact N-O 3.45Å
179	R	73.1	Confident	75.5	Confident	19 Å²	19	47.8 Å²	47.8	7%	0.072	26%	0.259	C	S	.	.	S	Bend	trans	-118.5	9.6	174.7	-62.5	-171.9	72	-179.6	0.7	112.8	Q139 T212 G215 F216	Q139-R179 PolarHBondContact N-O 3.44Å; R179-T212 HydrophobicContact CB-CG2 4.28Å; R179-T212 WeakPolarHBondContact CD-O 3.17Å; R179-T212 HydrophobicContact CG-CG2 4.2Å; R179-G215 WeakPolarHBondContact O-CA 3.38Å; R179-G215 PolarHBondContact O-N 2.88Å; R179-F216 PolarHBondContact N-O 3.44Å
180	G	70.7	Confident	72.7	Confident	11 Å²	11	54.2 Å²	54.2	11%	0.113	29%	0.294	C	S	.	.			trans	166.5	-169.2	175.2	0	0	0	0	0	109.5	G215 F216	G180-G215 CarbonylContact C-O 3.56Å; G180-G215 VanDerWaalsContact C-O 3.3Å; G180-G215 VanDerWaalsContact CA-O 3.25Å; G180-G215 WeakPolarHBondContact CA-O 3.1Å; G180-F216 PolarHBondContact N-O 3.47Å
181	S	63.7	Low	70.2	Confident	80 Å²	80	59.6 Å²	59.6	56%	0.559	33%	0.331	S	S	*	.	S	Bend	trans	-108.5	-1.9	-175.8	54.9	0	0	0	0	114	G215	S181-G215 PolarHBondContact N-O 2.9Å
182	E	55.1	Low	67.7	Low	118 Å²	118	65.7 Å²	65.7	55%	0.551	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-71.8	141.5	-179	-62.5	-59.3	138	0	0	110.7	G215 F216 Y217	E182-G215 VanDerWaalsContact CB-O 3.28Å; E182-G215 WeakPolarHBondContact CB-O 3.41Å; E182-G215 PolarHBondContact N-O 3.38Å; E182-F216 HydrophobicContact CB-CD1 4.22Å; E182-F216 HydrophobicContact CB-CE1 4.4Å; E182-F216 CarbonylContact O-C 3.56Å; E182-F216 VanDerWaalsContact O-CA 3.29Å; E182-F216 WeakPolarHBondContact O-CA 3.13Å; E182-Y217 PolarHBondContact O-N 2.94Å
183	F	63.2	Low	65	Low	46 Å²	46	72.5 Å²	72.5	20%	0.202	41%	0.41	C	S	.	.			trans	-97.4	136.7	174.4	-62.1	-62.5	0	0	0	109.9	H185 Y217 W219 F269 K272	F183-H185 PolarHBondContact O-CD2 3.37Å; F183-H185 PolarHBondContact O-N 2.66Å; F183-Y217 HydrophobicContact CD1-CG 4.15Å; F183-Y217 HydrophobicContact CE1-CD1 4.14Å; F183-Y217 HydrophobicContact CE1-CD2 4.01Å; F183-Y217 AromaticContact CE1-CG 3.75Å; F183-Y217 HydrophobicContact CE1-CG 3.75Å; F183-W219 AromaticContact CD1-CZ2 3.92Å; F183-W219 HydrophobicContact CD1-CZ2 3.92Å; F183-W219 HydrophobicContact CE1-CH2 4.45Å; F183-W219 HydrophobicContact CE1-CZ2 4.2Å; F183-F269 HydrophobicContact CE1-CD1 4.04Å; F183-F269 AromaticContact CE1-CE1 3.76Å; F183-F269 HydrophobicContact CE1-CE1 3.76Å; F183-F269 HydrophobicContact CE1-CZ 4.4Å; F183-F269 HydrophobicContact CE2-CE1 4.2Å; F183-F269 HydrophobicContact CE2-CE2 4.41Å; F183-F269 HydrophobicContact CE2-CZ 4.04Å; F183-F269 AromaticContact CZ-CD1 3.87Å; F183-F269 HydrophobicContact CZ-CD1 3.87Å; F183-F269 AromaticContact CZ-CE1 3.27Å; F183-F269 HydrophobicContact CZ-CE1 3.27Å; F183-F269 HydrophobicContact CZ-CE2 4.23Å; F183-F269 AromaticContact CZ-CZ 3.48Å; F183-F269 HydrophobicContact CZ-CZ 3.48Å; F183-F269 VanDerWaalsContact CZ-CZ 3.48Å; F183-K272 HydrophobicContact CB-CD 4.1Å; F183-K272 HydrophobicContact CB-CG 4.38Å
184	D	61.9	Low	62.2	Low	44 Å²	44	80 Å²	80	24%	0.235	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-78.8	111.3	168.4	-175.4	-8.8	0	0	0	108.6	G186 F216 K272 K273	D184-G186 VanDerWaalsContact C-N 3.3Å; D184-G186 PolarHBondContact OD1-N 2.75Å; D184-F216 HydrophobicContact CB-CD1 3.95Å; D184-F216 HydrophobicContact CB-CE1 4.16Å; D184-K272 WeakPolarHBondContact O-CA 3.47Å; D184-K273 HydrophobicContact CB-CB 4.44Å; D184-K273 PolarHBondContact O-N 2.83Å
185	H	67.6	Low	59.5	Low	131 Å²	131	88.6 Å²	88.6	61%	0.606	49%	0.49	S	S	*	.			trans	-79.1	-11.3	-178.8	-71.5	-105.7	0	0	0	113.2	F183 K272	F183-H185 PolarHBondContact O-CD2 3.37Å; F183-H185 PolarHBondContact O-N 2.66Å; H185-K272 PolarHBondContact CE1-NZ 2.9Å; H185-K272 PolarHBondContact ND1-NZ 2.87Å
186	G	48.7	Very low	56.6	Low	34 Å²	34	95 Å²	95	35%	0.351	53%	0.529	S	S	.	.			trans	69.7	152.1	-166.9	0	0	0	0	0	112.4	D184	D184-G186 VanDerWaalsContact C-N 3.3Å; D184-G186 PolarHBondContact OD1-N 2.75Å
187	I	57.7	Low	54.1	Low	148 Å²	148	100 Å²	100	76%	0.759	57%	0.565	S	S	*	*			trans	-136.9	137.4	176.7	-59.1	174.5	0	0	0	108
188	E	51.2	Low	51.8	Low	193 Å²	193	102.5 Å²	102.5	90%	0.902	59%	0.585	S	S	*	*			trans	-84.3	123.4	158.5	-69.8	-171.5	164.2	0	0	107.6
189	T	35.1	Very low	49.7	Very low	123 Å²	123	110.7 Å²	110.7	76%	0.755	62%	0.619	S	S	*	*	S	Bend	trans	-54	140.4	-163.4	63.6	0	0	0	0	112.9
190	D	36.5	Very low	48.2	Very low	149 Å²	149	113.4 Å²	113.4	80%	0.797	63%	0.634	S	S	*	*				-136.1	144.6	69.3	-63.2	-33.6	0	0	0	113.7
191	S	44.2	Very low	47	Very low	113 Å²	113	117.1 Å²	117.1	79%	0.79	66%	0.656	S	S	*	*			trans	-27.8	146.4	-176.3	-45.9	0	0	0	0	116.9
192	V	43.5	Very low	46.3	Very low	136 Å²	136	120.4 Å²	120.4	82%	0.824	67%	0.672	S	S	*	*				-167.4	155.7	60.7	-148.6	0	0	0	0	108.1
193	V	40.7	Very low	46.8	Very low	142 Å²	142	117.6 Å²	117.6	86%	0.861	66%	0.66	S	S	*	*			trans	-144.8	144	160.3	-105.4	0	0	0	0	113.6
194	D	37.6	Very low	47.5	Very low	158 Å²	158	117.8 Å²	117.8	85%	0.845	67%	0.669	S	S	*	*			trans	-74.8	136.9	-166.8	-166.5	15.7	0	0	0	113.3
195	E	42.4	Very low	48.9	Very low	181 Å²	181	116.2 Å²	116.2	85%	0.846	66%	0.661	S	S	*	*			trans	-92.7	107.4	-176.3	-74.4	-169.8	157.7	0	0	111.3	S197	E195-S197 PolarHBondContact O-N 3.24Å
196	T	35.5	Very low	50.1	Low	139 Å²	139	110 Å²	110	85%	0.853	63%	0.632	S	S	*	*			trans	-81	112.4	159.9	49.4	0	0	0	0	110.2	A198	T196-A198 PolarHBondContact O-N 3.46Å
197	S	41.6	Very low	52.3	Low	111 Å²	111	108.4 Å²	108.4	78%	0.776	62%	0.616	S	S	*	*			trans	-51	121	-176	65.1	0	0	0	0	114.9	E195	E195-S197 PolarHBondContact O-N 3.24Å
198	A	39.2	Very low	54	Low	56 Å²	56	102.1 Å²	102.1	46%	0.463	58%	0.582	S	S	.	*			trans	-79.9	114.5	161.4	0	0	0	0	0	108.7	T196 I200	T196-A198 PolarHBondContact O-N 3.46Å; A198-I200 PolarHBondContact O-N 3.37Å
199	K	34.1	Very low	56.1	Low	192 Å²	192	92.9 Å²	92.9	84%	0.835	54%	0.539	S	S	*	.			trans	-71.2	114.8	172.8	-87.5	-178.9	176.4	176.1	0	109.7
200	I	42.9	Very low	58.8	Low	76 Å²	76	88.5 Å²	88.5	39%	0.39	51%	0.509	S	S	.	.			trans	-125.5	110.6	173	-54.9	-179.6	0	0	0	108.8	A198 V279 M281	A198-I200 PolarHBondContact O-N 3.37Å; I200-V279 HydrophobicContact CD1-CB 4.03Å; I200-V279 HydrophobicContact CD1-CG1 3.25Å; I200-V279 HydrophobicContact CD1-CG2 3.93Å; I200-M281 HydrophobicContact CG2-CE 3.88Å; I200-M281 HydrophobicContact CG2-SD 4.01Å
201	P	44.7	Very low	61.1	Low	90 Å²	90	81.4 Å²	81.4	58%	0.584	47%	0.471	S	S	*	.			trans	-77.5	161.7	170.8	-17.4	32.2	0	0	0	114.4	E203	P201-E203 PolarHBondContact O-N 3.13Å
202	V	48.2	Very low	62.5	Low	148 Å²	148	76.1 Å²	76.1	90%	0.897	43%	0.434	S	S	*	.			trans	-80.4	79.1	-153.6	-166.9	0	0	0	0	114
203	E	66.2	Low	63.6	Low	60 Å²	60	71.5 Å²	71.5	28%	0.28	41%	0.406	S	S	.	.			trans	-117.9	124.2	165.3	-68.7	-156.4	-169.9	0	0	112.3	K159 G160 P201 F206 M281	K159-E203 WeakPolarHBondContact CA-OE2 3.38Å; K159-E203 WeakPolarHBondContact CB-OE1 3.5Å; K159-E203 WeakPolarHBondContact CB-OE2 3.15Å; K159-E203 VanDerWaalsContact CG-OE2 3.28Å; K159-E203 WeakPolarHBondContact CG-OE2 3.37Å; G160-E203 PolarHBondContact N-OE2 3.23Å; P201-E203 PolarHBondContact O-N 3.13Å; E203-F206 HydrophobicContact CB-CD2 4.04Å; E203-F206 HydrophobicContact CB-CE2 4.09Å; E203-M281 VanDerWaalsContact O-CB 3.25Å; E203-M281 WeakPolarHBondContact O-CB 3.45Å
204	A	78.9	Confident	64.7	Low	49 Å²	49	67.9 Å²	67.9	41%	0.405	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	154.3	179.8	0	0	0	0	0	112	F206 M281 T283	A204-F206 VanDerWaalsContact C-N 3.32Å; A204-F206 PolarHBondContact O-N 2.79Å; A204-M281 CarbonylContact C-O 3.51Å; A204-T283 HydrophobicContact CB-CG2 3.74Å
205	D	90.8	Very high	65.6	Low	12 Å²	12	61.7 Å²	61.7	6%	0.064	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	25.1	170.7	-34.4	-55.3	0	0	0	114.5	Y52 G168 K169 P170 K171 M281 T283	Y52-D205 HydrophobicContact CE1-CB 4.3Å; Y52-D205 WeakPolarHBondContact OH-CA 3.26Å; Y52-D205 VanDerWaalsContact OH-CB 3.3Å; Y52-D205 WeakPolarHBondContact OH-CB 3.28Å; Y52-D205 VanDerWaalsContact OH-CG 3.26Å; Y52-D205 PolarHBondContact OH-OD1 2.84Å; G168-D205 WeakPolarHBondContact CA-OD2 3.2Å; G168-D205 PolarHBondContact N-OD2 2.89Å; K169-D205 WeakPolarHBondContact O-CB 3.05Å; P170-D205 CarbonylContact C-O 3.59Å; P170-D205 WeakPolarHBondContact CA-O 3.48Å; K171-D205 PolarHBondContact N-O 3.11Å; D205-M281 PolarHBondContact N-O 3.09Å; D205-T283 PolarHBondContact OD1-OG1 2.65Å
206	F	93.4	Very high	66.7	Low	1 Å²	1	56.3 Å²	56.3	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.6	169.1	-80.8	-94.1	0	0	0	111.7	I158 K159 K171 F173 E203 A204 Y208 M281 L282	I158-F206 HydrophobicContact CD1-CE1 3.72Å; I158-F206 HydrophobicContact CD1-CZ 4.1Å; I158-F206 HydrophobicContact CG1-CE1 4.34Å; I158-F206 HydrophobicContact CG1-CZ 4.35Å; K159-F206 HydrophobicContact CG-CE2 4.19Å; K159-F206 HydrophobicContact CG-CZ 3.77Å; K171-F206 HydrophobicContact CB-CD1 3.71Å; K171-F206 HydrophobicContact CB-CE1 3.78Å; K171-F206 HydrophobicContact CB-CG 4.15Å; K171-F206 HydrophobicContact CB-CZ 4.26Å; K171-F206 HydrophobicContact CD-CD1 4.44Å; K171-F206 HydrophobicContact CD-CD2 4.26Å; K171-F206 HydrophobicContact CD-CE1 3.9Å; K171-F206 HydrophobicContact CD-CE2 3.69Å; K171-F206 HydrophobicContact CD-CZ 3.48Å; K171-F206 VanDerWaalsContact CD-CZ 3.48Å; K171-F206 VanDerWaalsContact CE-CD2 3.44Å; K171-F206 HydrophobicContact CG-CE1 4.42Å; K171-F206 HydrophobicContact CG-CZ 4.46Å; K171-F206 WeakPolarHBondContact O-CA 3.38Å; F173-F206 HydrophobicContact CD2-CD1 4.2Å; F173-F206 HydrophobicContact CD2-CE1 4.49Å; F173-F206 HydrophobicContact CE2-CD1 4.01Å; F173-F206 AromaticContact CE2-CE1 3.84Å; F173-F206 HydrophobicContact CE2-CE1 3.84Å; E203-F206 HydrophobicContact CB-CD2 4.04Å; E203-F206 HydrophobicContact CB-CE2 4.09Å; A204-F206 VanDerWaalsContact C-N 3.32Å; A204-F206 PolarHBondContact O-N 2.79Å; F206-Y208 HydrophobicContact CB-CE2 3.95Å; F206-Y208 HydrophobicContact CD1-CE1 4.43Å; F206-Y208 HydrophobicContact CD1-CE2 4.39Å; F206-Y208 AromaticContact CD1-CZ 3.81Å; F206-Y208 VanDerWaalsContact CD1-OH 3.26Å; F206-Y208 WeakPolarHBondContact CD1-OH 3.33Å; F206-Y208 HydrophobicContact CG-CE2 4.47Å; F206-M281 HydrophobicContact CB-CE 4.02Å; F206-M281 CarbonylContact O-C 3.59Å; F206-M281 WeakPolarHBondContact O-CA 3.26Å; F206-M281 PolarHBondContact O-N 2.78Å; F206-L282 PolarHBondContact O-N 3.24Å
207	M	95	Very high	68.1	Low	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132	164	-172.7	-168.1	74.3	0	0	109.2	K171 L172 F173 F174 A209 L245 M246 M249 V279 L282	K171-M207 PolarHBondContact O-N 2.89Å; L172-M207 HydrophobicContact CD2-CB 3.79Å; L172-M207 HydrophobicContact CD2-CE 4.22Å; F173-M207 PolarHBondContact N-O 3.1Å; F174-M207 HydrophobicContact CE1-CE 3.74Å; F174-M207 HydrophobicContact CZ-CE 3.84Å; M207-A209 HydrophobicContact CE-CB 4.14Å; M207-L245 HydrophobicContact CE-CD1 4.24Å; M207-L245 HydrophobicContact CE-CD2 3.74Å; M207-L245 HydrophobicContact CE-CG 4.22Å; M207-L245 HydrophobicContact SD-CD2 3.57Å; M207-L245 VanDerWaalsContact SD-CD2 3.57Å; M207-L245 HydrophobicContact SD-CG 3.96Å; M207-M246 HydrophobicContact SD-SD 3.87Å; M207-M249 HydrophobicContact CE-CG 4.48Å; M207-M249 HydrophobicContact CE-SD 4.48Å; M207-M249 HydrophobicContact SD-CG 4.31Å; M207-V279 WeakPolarHBondContact CA-O 3.19Å; M207-L282 HydrophobicContact CB-CD1 4.26Å; M207-L282 HydrophobicContact CB-CD2 4.38Å; M207-L282 HydrophobicContact CB-CG 4.17Å
208	Y	93.4	Very high	69.5	Low	15 Å²	15	48.5 Å²	48.5	6%	0.059	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114	172.1	-55.9	-84.4	0	0	0	109.1	I155 F173 I175 F206 Y210 F278 V279 M281	I155-Y208 HydrophobicContact CD1-CE1 3.45Å; I155-Y208 VanDerWaalsContact CD1-CE1 3.45Å; I155-Y208 WeakPolarHBondContact CD1-OH 3.42Å; F173-Y208 HydrophobicContact CB-CD1 3.67Å; F173-Y208 HydrophobicContact CB-CE1 4.18Å; F173-Y208 HydrophobicContact CD2-CD1 4.26Å; F173-Y208 AromaticContact CD2-CE1 3.94Å; F173-Y208 HydrophobicContact CD2-CE1 3.94Å; F173-Y208 AromaticContact CG-CD1 4Å; F173-Y208 HydrophobicContact CG-CD1 4Å; F173-Y208 AromaticContact CG-CE1 3.99Å; F173-Y208 HydrophobicContact CG-CE1 3.99Å; F173-Y208 CarbonylContact O-C 3.58Å; I175-Y208 HydrophobicContact CD1-CD1 4.22Å; F206-Y208 HydrophobicContact CB-CE2 3.95Å; F206-Y208 HydrophobicContact CD1-CE1 4.43Å; F206-Y208 HydrophobicContact CD1-CE2 4.39Å; F206-Y208 AromaticContact CD1-CZ 3.81Å; F206-Y208 VanDerWaalsContact CD1-OH 3.26Å; F206-Y208 WeakPolarHBondContact CD1-OH 3.33Å; F206-Y208 HydrophobicContact CG-CE2 4.47Å; Y208-Y210 VanDerWaalsContact CB-CE2 3.45Å; Y208-Y210 HydrophobicContact CG-CE2 4.39Å; Y208-F278 CarbonylContact O-C 3.51Å; Y208-F278 WeakPolarHBondContact O-CA 3.39Å; Y208-V279 PolarHBondContact N-O 3.22Å; Y208-V279 PolarHBondContact O-N 3.48Å; Y208-M281 HydrophobicContact CD2-CE 3.61Å; Y208-M281 HydrophobicContact CE2-CE 3.35Å
209	A	94.7	Very high	71.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	100	174.6	0	0	0	0	0	109.5	F173 F174 I175 M207 F228 M249 F278	F173-A209 PolarHBondContact O-N 3.4Å; F174-A209 WeakPolarHBondContact CA-O 3.33Å; F174-A209 HydrophobicContact CD1-CB 3.71Å; F174-A209 HydrophobicContact CE1-CB 4.12Å; I175-A209 PolarHBondContact N-O 3.02Å; M207-A209 HydrophobicContact CE-CB 4.14Å; A209-F228 HydrophobicContact CB-CZ 4.13Å; A209-M249 HydrophobicContact CB-CE 3.63Å; A209-M249 HydrophobicContact CB-SD 4.44Å; A209-F278 HydrophobicContact CB-CB 4.36Å
210	Y	92.1	Very high	73.4	Confident	31 Å²	31	39.3 Å²	39.3	12%	0.122	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.5	175.6	-59	-89.1	0	0	0	110.4	L151 I175 Y208 T212 P276 C277 V279	L151-Y210 HydrophobicContact CD2-CE1 3.83Å; I175-Y210 HydrophobicContact CB-CD1 3.98Å; I175-Y210 HydrophobicContact CB-CE1 4.38Å; I175-Y210 HydrophobicContact CD1-CD1 3.82Å; I175-Y210 HydrophobicContact CD1-CE1 3.45Å; I175-Y210 VanDerWaalsContact CD1-CE1 3.45Å; I175-Y210 HydrophobicContact CG2-CD1 4.02Å; I175-Y210 HydrophobicContact CG2-CE1 4.33Å; Y208-Y210 VanDerWaalsContact CB-CE2 3.45Å; Y208-Y210 HydrophobicContact CG-CE2 4.39Å; Y210-T212 WeakPolarHBondContact CB-O 3.3Å; Y210-T212 PolarHBondContact O-N 2.79Å; Y210-P276 WeakPolarHBondContact O-CA 3.49Å; Y210-P276 VanDerWaalsContact O-CB 3.3Å; Y210-P276 WeakPolarHBondContact O-CB 3.35Å; Y210-C277 WeakPolarHBondContact CA-O 3.27Å; Y210-C277 WeakPolarHBondContact CB-O 3.43Å; Y210-C277 PolarHBondContact N-O 3.46Å; Y210-C277 PolarHBondContact O-N 3.22Å; Y210-V279 HydrophobicContact CE2-CG2 4.46Å
211	S	83.9	Confident	75	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-62.2	-21.4	177.7	64.4	0	0	0	0	115	I175 Q176 A177 S218 F228 Q274 P276	I175-S211 PolarHBondContact O-N 3.28Å; I175-S211 PolarHBondContact O-OG 3.26Å; Q176-S211 PolarHBondContact OE1-OG 3.1Å; A177-S211 PolarHBondContact O-OG 2.88Å; S211-S218 VanDerWaalsContact CB-OG 3.3Å; S211-S218 WeakPolarHBondContact CB-OG 3.32Å; S211-S218 WeakPolarHBondContact OG-CB 3.26Å; S211-S218 PolarHBondContact OG-OG 3Å; S211-F228 VanDerWaalsContact CB-CD1 3.46Å; S211-Q274 PolarHBondContact O-NE2 2.92Å; S211-P276 WeakPolarHBondContact O-CA 3.44Å
212	T	74.6	Confident	76.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-148.8	157.7	-178.5	-164.4	0	0	0	0	110.6	R179 Y210 F216 Y217 I275	R179-T212 HydrophobicContact CB-CG2 4.28Å; R179-T212 WeakPolarHBondContact CD-O 3.17Å; R179-T212 HydrophobicContact CG-CG2 4.2Å; Y210-T212 WeakPolarHBondContact CB-O 3.3Å; Y210-T212 PolarHBondContact O-N 2.79Å; T212-F216 WeakPolarHBondContact CG2-O 3.47Å; T212-F216 WeakPolarHBondContact OG1-CB 3.4Å; T212-Y217 WeakPolarHBondContact CB-O 3.2Å; T212-Y217 PolarHBondContact OG1-O 3.39Å; T212-I275 WeakPolarHBondContact CA-O 3.28Å
213	V	65.8	Low	77.5	Confident	39 Å²	39	30 Å²	30	24%	0.236	17%	0.169	C	C	.	.			trans	-66.3	154.3	173.6	-79.9	0	0	0	0	111.8	G215 F216 I275 C277	V213-G215 PolarHBondContact O-N 2.8Å; V213-F216 HydrophobicContact CB-CD2 4.16Å; V213-F216 HydrophobicContact CG2-CB 4.01Å; V213-F216 HydrophobicContact CG2-CD2 3.29Å; V213-F216 HydrophobicContact CG2-CE2 3.87Å; V213-F216 HydrophobicContact CG2-CG 3.74Å; V213-F216 PolarHBondContact O-N 3.29Å; V213-I275 HydrophobicContact CG1-CG2 4.04Å; V213-I275 HydrophobicContact CG2-CG2 4Å; V213-I275 PolarHBondContact N-O 3.14Å; V213-C277 HydrophobicContact CG1-CB 3.81Å
214	P	63.1	Low	78.1	Confident	66 Å²	66	30.5 Å²	30.5	43%	0.429	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	135.9	176.6	-20.8	28.5	0	0	0	112.3	F216	P214-F216 VanDerWaalsContact C-N 3.32Å; P214-F216 VanDerWaalsContact O-CD2 3.26Å; P214-F216 WeakPolarHBondContact O-CD2 3.32Å; P214-F216 PolarHBondContact O-N 3.27Å
215	G	57.6	Low	78.5	Confident	27 Å²	27	28.1 Å²	28.1	28%	0.278	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-19.4	-179.1	0	0	0	0	0	115	R179 G180 S181 E182 V213	R179-G215 WeakPolarHBondContact O-CA 3.38Å; R179-G215 PolarHBondContact O-N 2.88Å; G180-G215 CarbonylContact C-O 3.56Å; G180-G215 VanDerWaalsContact C-O 3.3Å; G180-G215 VanDerWaalsContact CA-O 3.25Å; G180-G215 WeakPolarHBondContact CA-O 3.1Å; S181-G215 PolarHBondContact N-O 2.9Å; E182-G215 VanDerWaalsContact CB-O 3.28Å; E182-G215 WeakPolarHBondContact CB-O 3.41Å; E182-G215 PolarHBondContact N-O 3.38Å; V213-G215 PolarHBondContact O-N 2.8Å
216	F	65.3	Low	78.5	Confident	68 Å²	68	27.6 Å²	27.6	30%	0.298	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-101	159.4	-171.2	-67.3	-96.6	0	0	0	114.3	R179 G180 E182 D184 T212 V213 P214	R179-F216 PolarHBondContact N-O 3.44Å; G180-F216 PolarHBondContact N-O 3.47Å; E182-F216 HydrophobicContact CB-CD1 4.22Å; E182-F216 HydrophobicContact CB-CE1 4.4Å; E182-F216 CarbonylContact O-C 3.56Å; E182-F216 VanDerWaalsContact O-CA 3.29Å; E182-F216 WeakPolarHBondContact O-CA 3.13Å; D184-F216 HydrophobicContact CB-CD1 3.95Å; D184-F216 HydrophobicContact CB-CE1 4.16Å; T212-F216 WeakPolarHBondContact CG2-O 3.47Å; T212-F216 WeakPolarHBondContact OG1-CB 3.4Å; V213-F216 HydrophobicContact CB-CD2 4.16Å; V213-F216 HydrophobicContact CG2-CB 4.01Å; V213-F216 HydrophobicContact CG2-CD2 3.29Å; V213-F216 HydrophobicContact CG2-CE2 3.87Å; V213-F216 HydrophobicContact CG2-CG 3.74Å; V213-F216 PolarHBondContact O-N 3.29Å; P214-F216 VanDerWaalsContact C-N 3.32Å; P214-F216 VanDerWaalsContact O-CD2 3.26Å; P214-F216 WeakPolarHBondContact O-CD2 3.32Å; P214-F216 PolarHBondContact O-N 3.27Å
217	Y	65.6	Low	78.6	Confident	80 Å²	80	27.9 Å²	27.9	31%	0.314	15%	0.152	S	C	.	.			trans	-72.8	154.5	175.2	-162.8	-99.6	0	0	0	112.1	E182 F183 T212 W219	E182-Y217 PolarHBondContact O-N 2.94Å; F183-Y217 HydrophobicContact CD1-CG 4.15Å; F183-Y217 HydrophobicContact CE1-CD1 4.14Å; F183-Y217 HydrophobicContact CE1-CD2 4.01Å; F183-Y217 AromaticContact CE1-CG 3.75Å; F183-Y217 HydrophobicContact CE1-CG 3.75Å; T212-Y217 WeakPolarHBondContact CB-O 3.2Å; T212-Y217 PolarHBondContact OG1-O 3.39Å; Y217-W219 AromaticContact CD1-CD2 3.98Å; Y217-W219 HydrophobicContact CD1-CD2 3.98Å; Y217-W219 AromaticContact CD1-CE2 3.86Å; Y217-W219 HydrophobicContact CD1-CE3 4.45Å; Y217-W219 HydrophobicContact CD1-CG 4.24Å; Y217-W219 HydrophobicContact CD1-CZ2 4.19Å; Y217-W219 HydrophobicContact CE1-CD2 4.13Å; Y217-W219 HydrophobicContact CE1-CE3 4.18Å; Y217-W219 HydrophobicContact CE1-CZ3 4.48Å
218	S	70.1	Confident	78.6	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.042	15%	0.152	C	C	.	.			trans	-124.9	119.3	175	-171.5	0	0	0	0	110.8	Q176 S211 Q274	Q176-S218 PolarHBondContact NE2-OG 2.87Å; Q176-S218 PolarHBondContact OE1-OG 2.89Å; S211-S218 VanDerWaalsContact CB-OG 3.3Å; S211-S218 WeakPolarHBondContact CB-OG 3.32Å; S211-S218 WeakPolarHBondContact OG-CB 3.26Å; S211-S218 PolarHBondContact OG-OG 3Å; S218-Q274 PolarHBondContact OG-NE2 3.43Å
219	W	74.6	Confident	78.8	Confident	10 Å²	10	27.2 Å²	27.2	4%	0.038	15%	0.149	C	C	.	.			trans	-83.6	142.6	-170.8	-65.5	92.2	0	0	0	113.1	F183 Y217 S226 W227 F269 K272 K273 Q274	F183-W219 AromaticContact CD1-CZ2 3.92Å; F183-W219 HydrophobicContact CD1-CZ2 3.92Å; F183-W219 HydrophobicContact CE1-CH2 4.45Å; F183-W219 HydrophobicContact CE1-CZ2 4.2Å; Y217-W219 AromaticContact CD1-CD2 3.98Å; Y217-W219 HydrophobicContact CD1-CD2 3.98Å; Y217-W219 AromaticContact CD1-CE2 3.86Å; Y217-W219 HydrophobicContact CD1-CE3 4.45Å; Y217-W219 HydrophobicContact CD1-CG 4.24Å; Y217-W219 HydrophobicContact CD1-CZ2 4.19Å; Y217-W219 HydrophobicContact CE1-CD2 4.13Å; Y217-W219 HydrophobicContact CE1-CE3 4.18Å; Y217-W219 HydrophobicContact CE1-CZ3 4.48Å; W219-S226 WeakPolarHBondContact O-CB 3.33Å; W219-W227 HydrophobicContact CB-CD2 3.7Å; W219-W227 HydrophobicContact CB-CE3 3.73Å; W219-W227 HydrophobicContact CB-CG 4.43Å; W219-W227 HydrophobicContact CB-CH2 3.78Å; W219-W227 HydrophobicContact CB-CZ2 3.77Å; W219-W227 HydrophobicContact CB-CZ3 3.77Å; W219-W227 AromaticContact CD1-CH2 3.77Å; W219-W227 AromaticContact CD1-CZ3 3.5Å; W219-W227 VanDerWaalsContact CD1-CZ3 3.5Å; W219-W227 HydrophobicContact CD2-CH2 4.09Å; W219-W227 HydrophobicContact CD2-CZ2 4.47Å; W219-W227 HydrophobicContact CG-CD2 4.49Å; W219-W227 HydrophobicContact CG-CE3 4.13Å; W219-W227 AromaticContact CG-CH2 3.59Å; W219-W227 HydrophobicContact CG-CH2 3.59Å; W219-W227 HydrophobicContact CG-CZ2 4.01Å; W219-W227 AromaticContact CG-CZ3 3.67Å; W219-W227 HydrophobicContact CG-CZ3 3.67Å; W219-F269 HydrophobicContact CH2-CB 4.08Å; W219-F269 AromaticContact CH2-CD1 3.85Å; W219-F269 HydrophobicContact CH2-CD1 3.85Å; W219-F269 HydrophobicContact CH2-CG 4.42Å; W219-F269 WeakPolarHBondContact CH2-O 3.47Å; W219-F269 HydrophobicContact CZ3-CD1 4.31Å; W219-K272 HydrophobicContact CH2-CB 4.3Å; W219-K272 HydrophobicContact CH2-CG 4.19Å; W219-K272 HydrophobicContact CZ2-CB 3.42Å; W219-K272 VanDerWaalsContact CZ2-CB 3.42Å; W219-K272 HydrophobicContact CZ2-CG 3.63Å; W219-K273 PolarHBondContact NE1-O 3.26Å; W219-Q274 VanDerWaalsContact CD1-OE1 3.31Å
220	R	80.9	Confident	78.9	Confident	45 Å²	45	28.4 Å²	28.4	17%	0.17	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130	176.9	175.2	170.2	44.3	57.9	8.1	110.7	V15 N80	V15-R220 WeakPolarHBondContact CG2-O 3.46Å; N80-R220 WeakPolarHBondContact O-CD 3.37Å; N80-R220 PolarHBondContact O-NH1 3.31Å
221	N	76.9	Confident	79.1	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.6	167.8	-179.7	-86.6	0	0	0	109.4	V15 D16 S223 N224 G225	V15-N221 PolarHBondContact O-ND2 3.22Å; D16-N221 PolarHBondContact OD1-ND2 2.71Å; D16-N221 VanDerWaalsContact OD1-ND2 3.11Å; N221-S223 VanDerWaalsContact C-N 3.29Å; N221-S223 PolarHBondContact O-N 3.33Å; N221-S223 WeakPolarHBondContact OD1-CA 3.45Å; N221-S223 WeakPolarHBondContact OD1-CB 3.44Å; N221-S223 PolarHBondContact OD1-N 3.48Å; N221-N224 HydrophobicContact CB-CB 4.34Å; N221-N224 PolarHBondContact OD1-N 3.07Å; N221-G225 PolarHBondContact N-O 3.25Å; N221-G225 WeakPolarHBondContact O-CA 3.4Å; N221-G225 PolarHBondContact O-N 3.27Å; N221-G225 VanDerWaalsContact O-N 3.1Å
222	T	71.1	Confident	79.8	Confident	37 Å²	37	26.9 Å²	26.9	23%	0.227	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.8	-174.9	51	0	0	0	0	113.4	N80 G81	N80-T222 HydrophobicContact CB-CG2 3.84Å; G81-T222 VanDerWaalsContact CA-O 3.24Å; G81-T222 WeakPolarHBondContact CA-O 3.46Å; G81-T222 PolarHBondContact N-O 2.97Å
223	S	73.1	Confident	80.9	Confident	77 Å²	77	27.1 Å²	27.1	54%	0.538	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-36.2	-178	-59.2	0	0	0	0	113.3	N221	N221-S223 VanDerWaalsContact C-N 3.29Å; N221-S223 PolarHBondContact O-N 3.33Å; N221-S223 WeakPolarHBondContact OD1-CA 3.45Å; N221-S223 WeakPolarHBondContact OD1-CB 3.44Å; N221-S223 PolarHBondContact OD1-N 3.48Å
224	N	78.8	Confident	82.4	Confident	69 Å²	69	30.3 Å²	30.3	37%	0.369	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-10.1	-170.8	-62.5	-22.2	0	0	0	113.8	N221 Q230	N221-N224 HydrophobicContact CB-CB 4.34Å; N221-N224 PolarHBondContact OD1-N 3.07Å; N224-Q230 WeakPolarHBondContact O-CG 3.36Å; N224-Q230 PolarHBondContact O-NE2 3.28Å
225	G	86.8	Confident	84	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-167.6	-174.2	0	0	0	0	0	113.2	D85 N221 Q230	D85-G225 WeakPolarHBondContact OD1-CA 3.17Å; N221-G225 PolarHBondContact N-O 3.25Å; N221-G225 WeakPolarHBondContact O-CA 3.4Å; N221-G225 PolarHBondContact O-N 3.27Å; N221-G225 VanDerWaalsContact O-N 3.1Å; G225-Q230 VanDerWaalsContact C-NE2 3.27Å; G225-Q230 PolarHBondContact O-NE2 3.31Å
226	S	92.5	Very high	85.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.8	-178.9	57.4	0	0	0	0	113.1	D85 Q176 W219 F228 I229 Q230	D85-S226 VanDerWaalsContact CG-N 3.29Å; D85-S226 VanDerWaalsContact CG-OG 3.26Å; D85-S226 PolarHBondContact OD1-N 3.03Å; D85-S226 PolarHBondContact OD1-OG 3.21Å; D85-S226 VanDerWaalsContact OD2-CB 3.26Å; D85-S226 WeakPolarHBondContact OD2-CB 3.35Å; D85-S226 PolarHBondContact OD2-N 3.18Å; D85-S226 PolarHBondContact OD2-OG 2.9Å; Q176-S226 PolarHBondContact OE1-OG 3.47Å; W219-S226 WeakPolarHBondContact O-CB 3.33Å; S226-F228 VanDerWaalsContact C-N 3.26Å; S226-F228 PolarHBondContact O-N 2.84Å; S226-I229 PolarHBondContact O-N 3.48Å; S226-I229 VanDerWaalsContact OG-CB 3.32Å; S226-I229 WeakPolarHBondContact OG-CB 3.4Å; S226-I229 WeakPolarHBondContact OG-CG1 3.32Å; S226-Q230 WeakPolarHBondContact O-CB 3.44Å; S226-Q230 VanDerWaalsContact O-CG 3.27Å; S226-Q230 WeakPolarHBondContact O-CG 3.29Å; S226-Q230 PolarHBondContact O-N 3.06Å; S226-Q230 PolarHBondContact O-NE2 3.05Å
227	W	93.9	Very high	87.3	Confident	8 Å²	8	25.8 Å²	25.8	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-39.2	-177.5	-58.6	-14.1	0	0	0	111.6	W219 S231 V256 F260 E261 S262 Q274	W219-W227 HydrophobicContact CB-CD2 3.7Å; W219-W227 HydrophobicContact CB-CE3 3.73Å; W219-W227 HydrophobicContact CB-CG 4.43Å; W219-W227 HydrophobicContact CB-CH2 3.78Å; W219-W227 HydrophobicContact CB-CZ2 3.77Å; W219-W227 HydrophobicContact CB-CZ3 3.77Å; W219-W227 AromaticContact CD1-CH2 3.77Å; W219-W227 AromaticContact CD1-CZ3 3.5Å; W219-W227 VanDerWaalsContact CD1-CZ3 3.5Å; W219-W227 HydrophobicContact CD2-CH2 4.09Å; W219-W227 HydrophobicContact CD2-CZ2 4.47Å; W219-W227 HydrophobicContact CG-CD2 4.49Å; W219-W227 HydrophobicContact CG-CE3 4.13Å; W219-W227 AromaticContact CG-CH2 3.59Å; W219-W227 HydrophobicContact CG-CH2 3.59Å; W219-W227 HydrophobicContact CG-CZ2 4.01Å; W219-W227 AromaticContact CG-CZ3 3.67Å; W219-W227 HydrophobicContact CG-CZ3 3.67Å; W227-S231 WeakPolarHBondContact O-CB 3.34Å; W227-S231 PolarHBondContact O-N 2.74Å; W227-S231 PolarHBondContact O-OG 3.09Å; W227-V256 HydrophobicContact CB-CG1 4.41Å; W227-F260 HydrophobicContact CB-CB 4.39Å; W227-F260 HydrophobicContact CB-CD1 3.8Å; W227-F260 HydrophobicContact CB-CD2 4Å; W227-F260 HydrophobicContact CB-CE1 3.96Å; W227-F260 HydrophobicContact CB-CE2 4.17Å; W227-F260 HydrophobicContact CB-CG 3.79Å; W227-F260 HydrophobicContact CB-CZ 4.13Å; W227-F260 AromaticContact CD1-CD1 3.15Å; W227-F260 AromaticContact CD1-CE1 3.49Å; W227-F260 VanDerWaalsContact CD1-CE1 3.49Å; W227-F260 AromaticContact CD1-CG 3.9Å; W227-F260 HydrophobicContact CD2-CB 3.39Å; W227-F260 AromaticContact CD2-CD1 3.68Å; W227-F260 HydrophobicContact CD2-CD1 3.68Å; W227-F260 AromaticContact CD2-CG 3.65Å; W227-F260 HydrophobicContact CD2-CG 3.65Å; W227-F260 AromaticContact CE2-CD1 3.81Å; W227-F260 HydrophobicContact CE3-CB 3.41Å; W227-F260 VanDerWaalsContact CE3-CB 3.41Å; W227-F260 HydrophobicContact CE3-CG 4.08Å; W227-F260 HydrophobicContact CG-CB 3.86Å; W227-F260 AromaticContact CG-CD1 3.28Å; W227-F260 HydrophobicContact CG-CD1 3.28Å; W227-F260 HydrophobicContact CG-CD2 4.24Å; W227-F260 AromaticContact CG-CE1 3.77Å; W227-F260 HydrophobicContact CG-CE1 3.77Å; W227-F260 AromaticContact CG-CG 3.52Å; W227-F260 HydrophobicContact CG-CG 3.52Å; W227-F260 HydrophobicContact CG-CZ 4.43Å; W227-F260 HydrophobicContact CH2-CB 4.15Å; W227-F260 HydrophobicContact CZ2-CB 4.11Å; W227-F260 HydrophobicContact CZ3-CB 3.81Å; W227-F260 AromaticContact NE1-CD1 3.48Å; W227-E261 VanDerWaalsContact CH2-C 3.45Å; W227-S262 VanDerWaalsContact CH2-N 3.31Å; W227-Q274 HydrophobicContact CE3-CB 3.87Å; W227-Q274 HydrophobicContact CZ3-CB 3.89Å
228	F	96.4	Very high	88.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-52.7	176.9	171.8	-115.9	0	0	0	112	F174 Q176 A209 S211 S226 Q230 S231 L232 M249 V252 P276	F174-F228 HydrophobicContact CD1-CZ 4.42Å; Q176-F228 HydrophobicContact CB-CD1 4.48Å; A209-F228 HydrophobicContact CB-CZ 4.13Å; S211-F228 VanDerWaalsContact CB-CD1 3.46Å; S226-F228 VanDerWaalsContact C-N 3.26Å; S226-F228 PolarHBondContact O-N 2.84Å; F228-Q230 PolarHBondContact O-N 3.26Å; F228-S231 PolarHBondContact O-N 3.25Å; F228-L232 HydrophobicContact CE1-CD2 4.48Å; F228-L232 HydrophobicContact CZ-CD2 4.32Å; F228-L232 VanDerWaalsContact O-CB 3.28Å; F228-L232 WeakPolarHBondContact O-CB 3.48Å; F228-L232 PolarHBondContact O-N 2.86Å; F228-M249 HydrophobicContact CE2-CE 4.19Å; F228-V252 HydrophobicContact CD2-CG1 3.87Å; F228-V252 HydrophobicContact CE2-CG1 3.97Å; F228-P276 HydrophobicContact CD2-CB 3.89Å; F228-P276 HydrophobicContact CD2-CG 3.81Å; F228-P276 HydrophobicContact CE2-CB 4.09Å; F228-P276 HydrophobicContact CE2-CG 4.43Å
229	I	97.6	Very high	90	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-40.8	-177.3	-64.3	-63.5	0	0	0	111.5	D85 V89 V132 L134 Q176 S226 S231 L232 C233	D85-I229 HydrophobicContact CB-CB 4.16Å; D85-I229 HydrophobicContact CB-CG1 4.25Å; D85-I229 HydrophobicContact CB-CG2 3.8Å; V89-I229 HydrophobicContact CG2-CD1 4.22Å; V89-I229 HydrophobicContact CG2-CG2 3.57Å; V132-I229 HydrophobicContact CG1-CD1 4.43Å; L134-I229 HydrophobicContact CD2-CD1 3.78Å; L134-I229 HydrophobicContact CD2-CG1 3.93Å; Q176-I229 HydrophobicContact CB-CD1 4.19Å; Q176-I229 HydrophobicContact CB-CG1 4.05Å; Q176-I229 HydrophobicContact CG-CG1 4.19Å; S226-I229 PolarHBondContact O-N 3.48Å; S226-I229 VanDerWaalsContact OG-CB 3.32Å; S226-I229 WeakPolarHBondContact OG-CB 3.4Å; S226-I229 WeakPolarHBondContact OG-CG1 3.32Å; I229-S231 PolarHBondContact O-N 3.13Å; I229-L232 HydrophobicContact CD1-CD2 4.4Å; I229-L232 PolarHBondContact O-N 3.5Å; I229-C233 WeakPolarHBondContact O-CB 3.42Å; I229-C233 PolarHBondContact O-N 3.21Å; I229-C233 PolarHBondContact O-SG 3.13Å; I229-C233 VanDerWaalsContact O-SG 3.37Å
230	Q	95.8	Very high	90.9	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	16%	0.16	C	C	.	.	H	α-helix	trans	-57.2	-50.3	172.6	-74	172.8	78.9	0	0	111.1	N224 G225 S226 F228 L232 C233 E234	N224-Q230 WeakPolarHBondContact O-CG 3.36Å; N224-Q230 PolarHBondContact O-NE2 3.28Å; G225-Q230 VanDerWaalsContact C-NE2 3.27Å; G225-Q230 PolarHBondContact O-NE2 3.31Å; S226-Q230 WeakPolarHBondContact O-CB 3.44Å; S226-Q230 VanDerWaalsContact O-CG 3.27Å; S226-Q230 WeakPolarHBondContact O-CG 3.29Å; S226-Q230 PolarHBondContact O-N 3.06Å; S226-Q230 PolarHBondContact O-NE2 3.05Å; F228-Q230 PolarHBondContact O-N 3.26Å; Q230-L232 VanDerWaalsContact C-N 3.34Å; Q230-L232 PolarHBondContact O-N 2.92Å; Q230-C233 PolarHBondContact O-N 3.28Å; Q230-E234 WeakPolarHBondContact O-CB 3.47Å; Q230-E234 VanDerWaalsContact O-CG 3.29Å; Q230-E234 WeakPolarHBondContact O-CG 3.46Å; Q230-E234 PolarHBondContact O-N 3.07Å
231	S	97.7	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-39.2	-179.6	-64	0	0	0	0	112.5	W227 F228 I229 S235 V256 F260	W227-S231 WeakPolarHBondContact O-CB 3.34Å; W227-S231 PolarHBondContact O-N 2.74Å; W227-S231 PolarHBondContact O-OG 3.09Å; F228-S231 PolarHBondContact O-N 3.25Å; I229-S231 PolarHBondContact O-N 3.13Å; S231-S235 VanDerWaalsContact O-CB 3.23Å; S231-S235 WeakPolarHBondContact O-CB 3.3Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.4Å; S231-V256 WeakPolarHBondContact OG-CG2 3Å; S231-F260 VanDerWaalsContact OG-CE2 3.31Å; S231-F260 WeakPolarHBondContact OG-CE2 3.28Å
232	L	97.9	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-57.4	176.2	175.9	63.9	0	0	0	110.9	F174 F228 I229 Q230 E234 S235 L236 M249 V252	F174-L232 HydrophobicContact CB-CD2 4.14Å; F174-L232 HydrophobicContact CD1-CD1 3.99Å; F174-L232 HydrophobicContact CD1-CD2 3.46Å; F174-L232 VanDerWaalsContact CD1-CD2 3.46Å; F174-L232 HydrophobicContact CD1-CG 4.39Å; F174-L232 HydrophobicContact CE1-CD1 3.72Å; F174-L232 HydrophobicContact CE1-CD2 4Å; F174-L232 HydrophobicContact CG-CD2 3.85Å; F228-L232 HydrophobicContact CE1-CD2 4.48Å; F228-L232 HydrophobicContact CZ-CD2 4.32Å; F228-L232 VanDerWaalsContact O-CB 3.28Å; F228-L232 WeakPolarHBondContact O-CB 3.48Å; F228-L232 PolarHBondContact O-N 2.86Å; I229-L232 HydrophobicContact CD1-CD2 4.4Å; I229-L232 PolarHBondContact O-N 3.5Å; Q230-L232 VanDerWaalsContact C-N 3.34Å; Q230-L232 PolarHBondContact O-N 2.92Å; L232-E234 PolarHBondContact O-N 3.19Å; L232-S235 PolarHBondContact O-N 3.36Å; L232-L236 HydrophobicContact CD1-CD1 3.73Å; L232-L236 HydrophobicContact CD1-CG 4.08Å; L232-L236 HydrophobicContact CG-CD1 3.88Å; L232-L236 WeakPolarHBondContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 2.61Å; L232-M249 HydrophobicContact CD1-SD 4Å; L232-V252 HydrophobicContact CB-CG2 4.44Å; L232-V252 HydrophobicContact CD1-CG2 4.27Å
233	C	97.8	Very high	93.4	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-43.1	-176.8	-67.9	0	0	0	0	111.6	I229 Q230 S235 L236 D237	I229-C233 WeakPolarHBondContact O-CB 3.42Å; I229-C233 PolarHBondContact O-N 3.21Å; I229-C233 PolarHBondContact O-SG 3.13Å; I229-C233 VanDerWaalsContact O-SG 3.37Å; Q230-C233 PolarHBondContact O-N 3.28Å; C233-S235 PolarHBondContact O-N 3.46Å; C233-L236 PolarHBondContact O-N 2.77Å; C233-D237 WeakPolarHBondContact O-CB 3.47Å; C233-D237 PolarHBondContact O-N 3.12Å
234	E	96.9	Very high	94.5	Very high	106 Å²	106	33.7 Å²	33.7	50%	0.495	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-36.5	176.9	-72.5	179.3	-173.9	0	0	112.9	Q230 L232 K238 K255	Q230-E234 WeakPolarHBondContact O-CB 3.47Å; Q230-E234 VanDerWaalsContact O-CG 3.29Å; Q230-E234 WeakPolarHBondContact O-CG 3.46Å; Q230-E234 PolarHBondContact O-N 3.07Å; L232-E234 PolarHBondContact O-N 3.19Å; E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 PolarHBondContact O-N 3.34Å; E234-K238 VanDerWaalsContact O-N 3.16Å; E234-K255 VanDerWaalsContact CB-NZ 3.27Å; E234-K255 IonicContact OE2-NZ 2.87Å; E234-K255 PolarHBondContact OE2-NZ 3.17Å
235	S	97.5	Very high	95.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-73.7	-40.2	179.1	-56.6	0	0	0	0	111.2	S231 L232 C233 K238 F239	S231-S235 VanDerWaalsContact O-CB 3.23Å; S231-S235 WeakPolarHBondContact O-CB 3.3Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.4Å; L232-S235 PolarHBondContact O-N 3.36Å; C233-S235 PolarHBondContact O-N 3.46Å; S235-K238 PolarHBondContact O-N 2.83Å; S235-F239 WeakPolarHBondContact O-CB 3.47Å; S235-F239 VanDerWaalsContact O-CD2 3.24Å; S235-F239 WeakPolarHBondContact O-CD2 3.05Å; S235-F239 PolarHBondContact O-N 2.71Å
236	L	97.1	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-50.9	172.6	-73.5	171.6	0	0	0	111	T92 F93 L96 L232 C233 K238 F239 S240 I248 F288	T92-L236 HydrophobicContact CG2-CB 3.78Å; T92-L236 HydrophobicContact CG2-CD1 4.01Å; F93-L236 HydrophobicContact CE2-CD1 4.1Å; F93-L236 HydrophobicContact CZ-CD1 3.92Å; L96-L236 HydrophobicContact CD1-CB 4.33Å; L96-L236 HydrophobicContact CD1-CD1 4.25Å; L96-L236 HydrophobicContact CD1-CD2 4.35Å; L232-L236 HydrophobicContact CD1-CD1 3.73Å; L232-L236 HydrophobicContact CD1-CG 4.08Å; L232-L236 HydrophobicContact CG-CD1 3.88Å; L232-L236 WeakPolarHBondContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 2.61Å; C233-L236 PolarHBondContact O-N 2.77Å; L236-K238 PolarHBondContact O-N 2.83Å; L236-F239 PolarHBondContact O-N 2.88Å; L236-S240 WeakPolarHBondContact O-CB 3.4Å; L236-S240 PolarHBondContact O-N 2.75Å; L236-S240 PolarHBondContact O-OG 2.63Å; L236-S240 VanDerWaalsContact O-OG 3.08Å; L236-I248 HydrophobicContact CD2-CD1 4.26Å; L236-I248 HydrophobicContact CD2-CG2 4.11Å; L236-I248 HydrophobicContact CG-CG2 4.41Å; L236-F288 HydrophobicContact CD2-CD2 3.79Å; L236-F288 HydrophobicContact CD2-CE2 3.29Å; L236-F288 HydrophobicContact CD2-CZ 3.94Å
237	D	95.1	Very high	96.2	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.342	19%	0.185	S	C	.	.	H	α-helix	trans	-58.2	-34	179.7	-90.8	25.3	0	0	0	112.4	T92 K95 C233	T92-D237 WeakPolarHBondContact CB-OD1 3.4Å; T92-D237 WeakPolarHBondContact CG2-OD1 3.46Å; T92-D237 PolarHBondContact OG1-OD1 2.81Å; K95-D237 IonicContact NZ-OD2 3.47Å; K95-D237 PolarHBondContact NZ-OD2 3.43Å; C233-D237 WeakPolarHBondContact O-CB 3.47Å; C233-D237 PolarHBondContact O-N 3.12Å
238	K	96.1	Very high	96.4	Very high	139 Å²	139	36.7 Å²	36.7	60%	0.604	18%	0.184	S	C	*	.	H	α-helix	trans	-85.4	-36.7	-177.2	-174.5	171.6	177.8	177.6	0	113.7	E234 S235 L236	E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 PolarHBondContact O-N 3.34Å; E234-K238 VanDerWaalsContact O-N 3.16Å; S235-K238 PolarHBondContact O-N 2.83Å; L236-K238 PolarHBondContact O-N 2.83Å
239	F	96.5	Very high	96.5	Very high	42 Å²	42	36.7 Å²	36.7	18%	0.184	18%	0.184	C	C	.	.	H	α-helix	trans	-117.5	-4.8	-165.9	-58	-63.2	0	0	0	114.2	S235 L236 G241 Q242 L243 I248 R251	S235-F239 WeakPolarHBondContact O-CB 3.47Å; S235-F239 VanDerWaalsContact O-CD2 3.24Å; S235-F239 WeakPolarHBondContact O-CD2 3.05Å; S235-F239 PolarHBondContact O-N 2.71Å; L236-F239 PolarHBondContact O-N 2.88Å; F239-G241 PolarHBondContact O-N 2.68Å; F239-Q242 PolarHBondContact O-N 3.38Å; F239-L243 HydrophobicContact CB-CB 4.2Å; F239-L243 HydrophobicContact CB-CD1 3.82Å; F239-L243 HydrophobicContact CB-CG 4.01Å; F239-L243 HydrophobicContact CD1-CD1 3.84Å; F239-L243 HydrophobicContact CD1-CG 4.36Å; F239-L243 HydrophobicContact CD2-CD1 4.41Å; F239-L243 HydrophobicContact CG-CD1 3.79Å; F239-L243 HydrophobicContact CG-CG 4.4Å; F239-L243 PolarHBondContact O-N 2.68Å; F239-I248 HydrophobicContact CB-CD1 4.27Å; F239-I248 HydrophobicContact CB-CG1 4.02Å; F239-R251 HydrophobicContact CD2-CG 4.41Å; F239-R251 HydrophobicContact CE2-CB 4.31Å; F239-R251 HydrophobicContact CE2-CG 4.15Å
240	S	93.3	Very high	96.5	Very high	28 Å²	28	40.1 Å²	40.1	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.7	173	60.4	0	0	0	0	110.7	L96 L236 Q242	L96-S240 VanDerWaalsContact CD2-CB 3.43Å; L236-S240 WeakPolarHBondContact O-CB 3.4Å; L236-S240 PolarHBondContact O-N 2.75Å; L236-S240 PolarHBondContact O-OG 2.63Å; L236-S240 VanDerWaalsContact O-OG 3.08Å; S240-Q242 PolarHBondContact O-N 3.41Å
241	G	89.9	Confident	96.6	Very high	28 Å²	28	44.8 Å²	44.8	29%	0.289	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-8.4	-178.3	0	0	0	0	0	115.5	F239 F288	F239-G241 PolarHBondContact O-N 2.68Å; G241-F288 WeakPolarHBondContact CA-O 3.49Å; G241-F288 PolarHBondContact N-O 2.96Å; G241-F288 VanDerWaalsContact N-O 3.09Å
242	Q	93.3	Very high	96.6	Very high	140 Å²	140	44.8 Å²	44.8	65%	0.654	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-40.6	174.9	-63.5	172.8	39.1	0	0	111.9	F239 S240	F239-Q242 PolarHBondContact O-N 3.38Å; S240-Q242 PolarHBondContact O-N 3.41Å
243	L	97.1	Very high	96.5	Very high	37 Å²	37	46.2 Å²	46.2	19%	0.194	23%	0.229	C	C	.	.	S	Bend	trans	-113.6	149.5	-177.9	-61.8	-174	0	0	0	111.2	F239 Q247 I248 R251	F239-L243 HydrophobicContact CB-CB 4.2Å; F239-L243 HydrophobicContact CB-CD1 3.82Å; F239-L243 HydrophobicContact CB-CG 4.01Å; F239-L243 HydrophobicContact CD1-CD1 3.84Å; F239-L243 HydrophobicContact CD1-CG 4.36Å; F239-L243 HydrophobicContact CD2-CD1 4.41Å; F239-L243 HydrophobicContact CG-CD1 3.79Å; F239-L243 HydrophobicContact CG-CG 4.4Å; F239-L243 PolarHBondContact O-N 2.68Å; L243-Q247 HydrophobicContact CB-CB 4.16Å; L243-Q247 HydrophobicContact CD1-CB 4.48Å; L243-I248 HydrophobicContact CB-CD1 4.4Å; L243-I248 HydrophobicContact CB-CG1 3.75Å; L243-R251 HydrophobicContact CD1-CG 4.47Å
244	E	96.9	Very high	96.5	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.065	25%	0.247	C	C	.	.			trans	-68.5	149.7	168.9	-166.3	-76.8	135.6	0	0	109.9	M246 Q247 I248 D285 F286 Y287	E244-M246 VanDerWaalsContact CD-N 3.34Å; E244-M246 PolarHBondContact O-N 2.87Å; E244-M246 PolarHBondContact OE1-N 3.12Å; E244-M246 WeakPolarHBondContact OE2-CA 3.34Å; E244-M246 WeakPolarHBondContact OE2-CB 3.41Å; E244-M246 PolarHBondContact OE2-N 3.37Å; E244-Q247 HydrophobicContact CB-CG 4.22Å; E244-Q247 WeakPolarHBondContact O-CA 3.16Å; E244-Q247 VanDerWaalsContact O-CB 3.31Å; E244-Q247 WeakPolarHBondContact O-CB 3.11Å; E244-Q247 PolarHBondContact O-N 2.84Å; E244-Q247 PolarHBondContact OE2-N 3.38Å; E244-I248 PolarHBondContact O-N 3.08Å; E244-D285 HydrophobicContact CG-CB 3.64Å; E244-F286 PolarHBondContact OE1-N 3.49Å; E244-F286 VanDerWaalsContact OE1-N 3.17Å; E244-Y287 HydrophobicContact CB-CD1 4.34Å; E244-Y287 HydrophobicContact CB-CE1 3.72Å; E244-Y287 HydrophobicContact CB-CE2 4.03Å; E244-Y287 HydrophobicContact CG-CD2 4.39Å; E244-Y287 HydrophobicContact CG-CE1 4.44Å; E244-Y287 HydrophobicContact CG-CE2 3.85Å; E244-Y287 VanDerWaalsContact N-CE1 3.33Å
245	L	97.8	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-52.5	-45.2	-174.8	173.7	63.1	0	0	0	113.7	L172 M207 Q247 I248 M249 L282 F286 F288	L172-L245 HydrophobicContact CD1-CD2 3.83Å; L172-L245 HydrophobicContact CD2-CD2 3.71Å; L172-L245 HydrophobicContact CG-CD2 4.42Å; M207-L245 HydrophobicContact CE-CD1 4.24Å; M207-L245 HydrophobicContact CE-CD2 3.74Å; M207-L245 HydrophobicContact CE-CG 4.22Å; M207-L245 HydrophobicContact SD-CD2 3.57Å; M207-L245 VanDerWaalsContact SD-CD2 3.57Å; M207-L245 HydrophobicContact SD-CG 3.96Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 2.85Å; L245-I248 CarbonylContact O-C 3.6Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 3.41Å; L245-I248 VanDerWaalsContact O-N 3.13Å; L245-M249 HydrophobicContact CD1-CG 4.22Å; L245-M249 HydrophobicContact CD1-SD 4.45Å; L245-M249 HydrophobicContact CG-CG 4.46Å; L245-M249 WeakPolarHBondContact O-CG 3.41Å; L245-M249 PolarHBondContact O-N 3.01Å; L245-L282 HydrophobicContact CD2-CD1 4.1Å; L245-F286 HydrophobicContact CB-CB 4.26Å; L245-F286 HydrophobicContact CB-CD1 4.13Å; L245-F286 WeakPolarHBondContact CB-O 3.38Å; L245-F286 HydrophobicContact CD2-CB 4.44Å; L245-F286 HydrophobicContact CD2-CD1 3.88Å; L245-F286 PolarHBondContact N-O 2.98Å; L245-F288 HydrophobicContact CD1-CE2 3.77Å; L245-F288 HydrophobicContact CD1-CZ 4.34Å
246	M	97.3	Very high	96.2	Very high	48 Å²	48	46.9 Å²	46.9	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-32.7	178.3	-59.3	-57.5	-56.6	0	0	112.2	M207 E244 M249 T250 F278	M207-M246 HydrophobicContact SD-SD 3.87Å; E244-M246 VanDerWaalsContact CD-N 3.34Å; E244-M246 PolarHBondContact O-N 2.87Å; E244-M246 PolarHBondContact OE1-N 3.12Å; E244-M246 WeakPolarHBondContact OE2-CA 3.34Å; E244-M246 WeakPolarHBondContact OE2-CB 3.41Å; E244-M246 PolarHBondContact OE2-N 3.37Å; M246-M249 PolarHBondContact O-N 3Å; M246-T250 PolarHBondContact O-N 3Å; M246-T250 PolarHBondContact O-OG1 3.44Å; M246-F278 HydrophobicContact CE-CD2 3.55Å; M246-F278 HydrophobicContact CE-CE2 3.94Å; M246-F278 HydrophobicContact CE-CG 4.35Å
247	Q	98.1	Very high	95.9	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-41.4	171.2	-60	176.9	-37.1	0	0	111	L243 E244 L245 T250 R251	L243-Q247 HydrophobicContact CB-CB 4.16Å; L243-Q247 HydrophobicContact CD1-CB 4.48Å; E244-Q247 HydrophobicContact CB-CG 4.22Å; E244-Q247 WeakPolarHBondContact O-CA 3.16Å; E244-Q247 VanDerWaalsContact O-CB 3.31Å; E244-Q247 WeakPolarHBondContact O-CB 3.11Å; E244-Q247 PolarHBondContact O-N 2.84Å; E244-Q247 PolarHBondContact OE2-N 3.38Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 2.85Å; Q247-T250 WeakPolarHBondContact O-CB 3.44Å; Q247-T250 PolarHBondContact O-N 3.44Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-N 3.42Å; Q247-R251 VanDerWaalsContact O-N 3.17Å
248	I	98.3	Very high	95.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47.2	173.4	-61.5	176.7	0	0	0	110	L236 F239 L243 E244 L245 T250 R251 V252	L236-I248 HydrophobicContact CD2-CD1 4.26Å; L236-I248 HydrophobicContact CD2-CG2 4.11Å; L236-I248 HydrophobicContact CG-CG2 4.41Å; F239-I248 HydrophobicContact CB-CD1 4.27Å; F239-I248 HydrophobicContact CB-CG1 4.02Å; L243-I248 HydrophobicContact CB-CD1 4.4Å; L243-I248 HydrophobicContact CB-CG1 3.75Å; E244-I248 PolarHBondContact O-N 3.08Å; L245-I248 CarbonylContact O-C 3.6Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 3.41Å; L245-I248 VanDerWaalsContact O-N 3.13Å; I248-T250 PolarHBondContact O-N 2.99Å; I248-R251 WeakPolarHBondContact O-CA 2.87Å; I248-R251 WeakPolarHBondContact O-CB 3.46Å; I248-R251 PolarHBondContact O-N 3.04Å; I248-V252 WeakPolarHBondContact O-CG2 3.36Å; I248-V252 PolarHBondContact O-N 2.93Å
249	M	98	Very high	95.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-35	177.4	-69.3	-49.6	-55.2	0	0	112.2	F174 M207 A209 F228 L232 L245 M246 R251 V252 N253 F278	F174-M249 HydrophobicContact CE1-SD 4.04Å; M207-M249 HydrophobicContact CE-CG 4.48Å; M207-M249 HydrophobicContact CE-SD 4.48Å; M207-M249 HydrophobicContact SD-CG 4.31Å; A209-M249 HydrophobicContact CB-CE 3.63Å; A209-M249 HydrophobicContact CB-SD 4.44Å; F228-M249 HydrophobicContact CE2-CE 4.19Å; L232-M249 HydrophobicContact CD1-SD 4Å; L245-M249 HydrophobicContact CD1-CG 4.22Å; L245-M249 HydrophobicContact CD1-SD 4.45Å; L245-M249 HydrophobicContact CG-CG 4.46Å; L245-M249 WeakPolarHBondContact O-CG 3.41Å; L245-M249 PolarHBondContact O-N 3.01Å; M246-M249 PolarHBondContact O-N 3Å; M249-R251 VanDerWaalsContact C-N 3.34Å; M249-R251 PolarHBondContact O-N 3.3Å; M249-V252 HydrophobicContact CE-CB 4.47Å; M249-V252 WeakPolarHBondContact O-CB 3.43Å; M249-V252 PolarHBondContact O-N 2.75Å; M249-V252 VanDerWaalsContact O-N 3.17Å; M249-N253 PolarHBondContact O-N 2.62Å; M249-F278 HydrophobicContact CB-CD1 3.79Å; M249-F278 HydrophobicContact CB-CE1 3.69Å; M249-F278 HydrophobicContact CB-CG 4.24Å; M249-F278 HydrophobicContact CB-CZ 4.11Å; M249-F278 HydrophobicContact CE-CD1 3.69Å; M249-F278 HydrophobicContact CE-CE1 4.29Å; M249-F278 HydrophobicContact CE-CG 4.46Å; M249-F278 HydrophobicContact CG-CD1 4.44Å; M249-F278 WeakPolarHBondContact O-CE1 3.33Å
250	T	97.8	Very high	95.1	Very high	71 Å²	71	50.1 Å²	50.1	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-37.4	172.9	-57	0	0	0	0	112	M246 Q247 I248 V252 N253 H254	M246-T250 PolarHBondContact O-N 3Å; M246-T250 PolarHBondContact O-OG1 3.44Å; Q247-T250 WeakPolarHBondContact O-CB 3.44Å; Q247-T250 PolarHBondContact O-N 3.44Å; I248-T250 PolarHBondContact O-N 2.99Å; T250-V252 VanDerWaalsContact C-N 3.34Å; T250-N253 PolarHBondContact O-N 3.44Å; T250-H254 PolarHBondContact O-N 2.96Å
251	R	97.9	Very high	95	Very high	123 Å²	123	54 Å²	54	46%	0.464	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-34.8	172.4	-55.8	-50.1	177.5	-157.3	-2.4	112.1	F239 L243 Q247 I248 M249 H254 K255	F239-R251 HydrophobicContact CD2-CG 4.41Å; F239-R251 HydrophobicContact CE2-CB 4.31Å; F239-R251 HydrophobicContact CE2-CG 4.15Å; L243-R251 HydrophobicContact CD1-CG 4.47Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-N 3.42Å; Q247-R251 VanDerWaalsContact O-N 3.17Å; I248-R251 WeakPolarHBondContact O-CA 2.87Å; I248-R251 WeakPolarHBondContact O-CB 3.46Å; I248-R251 PolarHBondContact O-N 3.04Å; M249-R251 VanDerWaalsContact C-N 3.34Å; M249-R251 PolarHBondContact O-N 3.3Å; R251-H254 PolarHBondContact O-N 3.44Å; R251-K255 WeakPolarHBondContact O-CG 3.4Å; R251-K255 PolarHBondContact O-N 3.32Å
252	V	97.9	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-49.1	171.8	179.2	0	0	0	0	110.2	F228 L232 I248 M249 T250 H254 K255 V256 P276	F228-V252 HydrophobicContact CD2-CG1 3.87Å; F228-V252 HydrophobicContact CE2-CG1 3.97Å; L232-V252 HydrophobicContact CB-CG2 4.44Å; L232-V252 HydrophobicContact CD1-CG2 4.27Å; I248-V252 WeakPolarHBondContact O-CG2 3.36Å; I248-V252 PolarHBondContact O-N 2.93Å; M249-V252 HydrophobicContact CE-CB 4.47Å; M249-V252 WeakPolarHBondContact O-CB 3.43Å; M249-V252 PolarHBondContact O-N 2.75Å; M249-V252 VanDerWaalsContact O-N 3.17Å; T250-V252 VanDerWaalsContact C-N 3.34Å; V252-H254 PolarHBondContact O-N 3.4Å; V252-K255 PolarHBondContact O-N 3.47Å; V252-V256 HydrophobicContact CG1-CG2 4.3Å; V252-V256 WeakPolarHBondContact O-CG2 3.25Å; V252-V256 PolarHBondContact O-N 2.63Å; V252-P276 HydrophobicContact CG1-CG 4.49Å
253	N	96.6	Very high	94.4	Very high	31 Å²	31	48.2 Å²	48.2	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-49.7	176.3	-88	13.9	0	0	0	112.4	M249 T250 K255 V256 A257 I275 P276 F278	M249-N253 PolarHBondContact O-N 2.62Å; T250-N253 PolarHBondContact O-N 3.44Å; N253-K255 VanDerWaalsContact C-N 3.33Å; N253-K255 PolarHBondContact O-N 2.84Å; N253-V256 PolarHBondContact O-N 3.47Å; N253-A257 WeakPolarHBondContact O-CB 3.45Å; N253-A257 PolarHBondContact O-N 3.23Å; N253-I275 HydrophobicContact CB-CD1 3.89Å; N253-P276 PolarHBondContact ND2-O 3.2Å; N253-P276 WeakPolarHBondContact OD1-CB 3.31Å; N253-P276 WeakPolarHBondContact OD1-CD 3.47Å; N253-P276 PolarHBondContact OD1-O 3.32Å; N253-F278 HydrophobicContact CB-CE1 4.31Å; N253-F278 WeakPolarHBondContact ND2-CE1 3.24Å; N253-F278 WeakPolarHBondContact ND2-CZ 3.44Å; N253-F278 WeakPolarHBondContact OD1-CE1 3.3Å
254	H	96.2	Very high	93.6	Very high	93 Å²	93	47.2 Å²	47.2	43%	0.431	23%	0.232	S	C	.	.	H	α-helix	trans	-56.6	-47.4	177.7	178.6	-73.4	0	0	0	111.7	T250 R251 V252 A257 F258	T250-H254 PolarHBondContact O-N 2.96Å; R251-H254 PolarHBondContact O-N 3.44Å; V252-H254 PolarHBondContact O-N 3.4Å; H254-A257 PolarHBondContact O-N 3.4Å; H254-F258 AromaticContact CD2-CD2 3.62Å; H254-F258 AromaticContact CD2-CE2 3.84Å; H254-F258 AromaticContact CE1-CD2 3.93Å; H254-F258 AromaticContact CG-CD2 3.84Å; H254-F258 AromaticContact NE2-CD2 3.71Å; H254-F258 WeakPolarHBondContact O-CB 3.28Å; H254-F258 VanDerWaalsContact O-CD2 3.23Å; H254-F258 WeakPolarHBondContact O-CD2 3.29Å; H254-F258 PolarHBondContact O-N 2.93Å
255	K	96.1	Very high	92.9	Very high	34 Å²	34	54.1 Å²	54.1	15%	0.148	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-46.9	-179.3	-72.6	177.7	72.4	175.6	0	111.7	E234 R251 V252 N253 A257 H259 F260	E234-K255 VanDerWaalsContact CB-NZ 3.27Å; E234-K255 IonicContact OE2-NZ 2.87Å; E234-K255 PolarHBondContact OE2-NZ 3.17Å; R251-K255 WeakPolarHBondContact O-CG 3.4Å; R251-K255 PolarHBondContact O-N 3.32Å; V252-K255 PolarHBondContact O-N 3.47Å; N253-K255 VanDerWaalsContact C-N 3.33Å; N253-K255 PolarHBondContact O-N 2.84Å; K255-A257 PolarHBondContact O-N 3.03Å; K255-H259 VanDerWaalsContact O-CB 3.26Å; K255-H259 WeakPolarHBondContact O-CB 3.3Å; K255-H259 PolarHBondContact O-N 3.26Å; K255-F260 WeakPolarHBondContact O-CD2 3.46Å
256	V	93.4	Very high	91.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-43.4	-179.8	-179.4	0	0	0	0	111.2	W227 S231 V252 N253 Q274 P276	W227-V256 HydrophobicContact CB-CG1 4.41Å; S231-V256 WeakPolarHBondContact OG-CG2 3Å; V252-V256 HydrophobicContact CG1-CG2 4.3Å; V252-V256 WeakPolarHBondContact O-CG2 3.25Å; V252-V256 PolarHBondContact O-N 2.63Å; N253-V256 PolarHBondContact O-N 3.47Å; V256-Q274 HydrophobicContact CG1-CB 3.88Å; V256-Q274 HydrophobicContact CG1-CG 3.84Å; V256-P276 HydrophobicContact CB-CG 3.87Å; V256-P276 HydrophobicContact CG1-CG 4.01Å; V256-P276 HydrophobicContact CG2-CG 3.76Å
257	A	90.3	Very high	91.1	Very high	20 Å²	20	61.3 Å²	61.3	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-42.9	-178.9	0	0	0	0	0	113.4	N253 H254 K255 K273 I275	N253-A257 WeakPolarHBondContact O-CB 3.45Å; N253-A257 PolarHBondContact O-N 3.23Å; H254-A257 PolarHBondContact O-N 3.4Å; K255-A257 PolarHBondContact O-N 3.03Å; A257-K273 WeakPolarHBondContact O-CE 3.47Å; A257-K273 PolarHBondContact O-NZ 2.81Å; A257-I275 HydrophobicContact CB-CD1 4.05Å
258	F	90.9	Very high	90.3	Very high	146 Å²	146	59.3 Å²	59.3	64%	0.64	32%	0.318	S	S	*	.	H	α-helix	trans	-102.8	-26.6	-168.3	-64.8	-68.2	0	0	0	114.7	H254	H254-F258 AromaticContact CD2-CD2 3.62Å; H254-F258 AromaticContact CD2-CE2 3.84Å; H254-F258 AromaticContact CE1-CD2 3.93Å; H254-F258 AromaticContact CG-CD2 3.84Å; H254-F258 AromaticContact NE2-CD2 3.71Å; H254-F258 WeakPolarHBondContact O-CB 3.28Å; H254-F258 VanDerWaalsContact O-CD2 3.23Å; H254-F258 WeakPolarHBondContact O-CD2 3.29Å; H254-F258 PolarHBondContact O-N 2.93Å
259	H	91.3	Very high	89.5	Confident	117 Å²	117	62.2 Å²	62.2	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-97.9	-5.6	-176	-61.9	-173.1	0	0	0	113.6	K255	K255-H259 VanDerWaalsContact O-CB 3.26Å; K255-H259 WeakPolarHBondContact O-CB 3.3Å; K255-H259 PolarHBondContact O-N 3.26Å
260	F	89.3	Confident	88.9	Confident	30 Å²	30	65.3 Å²	65.3	13%	0.132	35%	0.353	C	S	.	.			trans	-125.3	142.9	-178.7	-60.5	-90	0	0	0	111.7	W227 S231 K255 K273	W227-F260 HydrophobicContact CB-CB 4.39Å; W227-F260 HydrophobicContact CB-CD1 3.8Å; W227-F260 HydrophobicContact CB-CD2 4Å; W227-F260 HydrophobicContact CB-CE1 3.96Å; W227-F260 HydrophobicContact CB-CE2 4.17Å; W227-F260 HydrophobicContact CB-CG 3.79Å; W227-F260 HydrophobicContact CB-CZ 4.13Å; W227-F260 AromaticContact CD1-CD1 3.15Å; W227-F260 AromaticContact CD1-CE1 3.49Å; W227-F260 VanDerWaalsContact CD1-CE1 3.49Å; W227-F260 AromaticContact CD1-CG 3.9Å; W227-F260 HydrophobicContact CD2-CB 3.39Å; W227-F260 AromaticContact CD2-CD1 3.68Å; W227-F260 HydrophobicContact CD2-CD1 3.68Å; W227-F260 AromaticContact CD2-CG 3.65Å; W227-F260 HydrophobicContact CD2-CG 3.65Å; W227-F260 AromaticContact CE2-CD1 3.81Å; W227-F260 HydrophobicContact CE3-CB 3.41Å; W227-F260 VanDerWaalsContact CE3-CB 3.41Å; W227-F260 HydrophobicContact CE3-CG 4.08Å; W227-F260 HydrophobicContact CG-CB 3.86Å; W227-F260 AromaticContact CG-CD1 3.28Å; W227-F260 HydrophobicContact CG-CD1 3.28Å; W227-F260 HydrophobicContact CG-CD2 4.24Å; W227-F260 AromaticContact CG-CE1 3.77Å; W227-F260 HydrophobicContact CG-CE1 3.77Å; W227-F260 AromaticContact CG-CG 3.52Å; W227-F260 HydrophobicContact CG-CG 3.52Å; W227-F260 HydrophobicContact CG-CZ 4.43Å; W227-F260 HydrophobicContact CH2-CB 4.15Å; W227-F260 HydrophobicContact CZ2-CB 4.11Å; W227-F260 HydrophobicContact CZ3-CB 3.81Å; W227-F260 AromaticContact NE1-CD1 3.48Å; S231-F260 VanDerWaalsContact OG-CE2 3.31Å; S231-F260 WeakPolarHBondContact OG-CE2 3.28Å; K255-F260 WeakPolarHBondContact O-CD2 3.46Å; F260-K273 PolarHBondContact O-NZ 2.81Å
261	E	89.6	Confident	88.3	Confident	109 Å²	109	63.3 Å²	63.3	51%	0.509	35%	0.347	S	S	.	.			trans	-151.2	142.1	171.6	-175.3	173.5	109.7	0	0	106.6	W227 K272 K273	W227-E261 VanDerWaalsContact CH2-C 3.45Å; E261-K272 WeakPolarHBondContact CA-O 3.3Å; E261-K273 HydrophobicContact CG-CD 4.34Å
262	S	86.1	Confident	87.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	33%	0.328	C	S	.	.			trans	-76	137	-179.4	68.4	0	0	0	0	109.8	W227 F269 G271 K272	W227-S262 VanDerWaalsContact CH2-N 3.31Å; S262-F269 WeakPolarHBondContact CB-O 3.46Å; S262-F269 PolarHBondContact OG-O 3.5Å; S262-G271 PolarHBondContact O-N 2.93Å; S262-G271 PolarHBondContact OG-N 2.78Å; S262-K272 PolarHBondContact N-O 3.22Å; S262-K272 WeakPolarHBondContact OG-CA 3.37Å; S262-K272 WeakPolarHBondContact OG-CB 3.38Å; S262-K272 WeakPolarHBondContact OG-CG 3.37Å; S262-K272 PolarHBondContact OG-N 3.19Å
263	A	85.2	Confident	87.4	Confident	45 Å²	45	60.5 Å²	60.5	37%	0.372	34%	0.338	S	S	.	.			trans	-120.5	126.5	161.2	0	0	0	0	0	108.4	V15 D16	V15-A263 WeakPolarHBondContact CA-O 3.43Å; D16-A263 PolarHBondContact N-O 2.72Å; D16-A263 WeakPolarHBondContact O-CB 3.32Å
264	S	81	Confident	87.1	Confident	15 Å²	15	59.1 Å²	59.1	11%	0.105	33%	0.33	C	S	.	.			trans	-149.2	143	-178.6	-176.2	0	0	0	0	110	L266	S264-L266 PolarHBondContact O-N 2.92Å; S264-L266 WeakPolarHBondContact OG-CB 3.45Å; S264-L266 PolarHBondContact OG-N 2.9Å; S264-L266 VanDerWaalsContact OG-N 3.13Å
265	D	81.6	Confident	86.8	Confident	159 Å²	159	57.3 Å²	57.3	85%	0.85	32%	0.323	S	S	*	.	S	Bend	trans	-77.2	-10.2	171.5	-61.4	-35.3	0	0	0	112.1
266	L	76.8	Confident	86.7	Confident	78 Å²	78	55.9 Å²	55.9	41%	0.408	32%	0.317	S	S	.	.	S	Bend	trans	-76.3	127.9	176.6	-65.4	174.4	0	0	0	110.3	S264 G268 F269	S264-L266 PolarHBondContact O-N 2.92Å; S264-L266 WeakPolarHBondContact OG-CB 3.45Å; S264-L266 PolarHBondContact OG-N 2.9Å; S264-L266 VanDerWaalsContact OG-N 3.13Å; L266-G268 PolarHBondContact O-N 2.84Å; L266-F269 HydrophobicContact CB-CB 4.13Å; L266-F269 HydrophobicContact CB-CD2 3.81Å; L266-F269 HydrophobicContact CB-CG 4.13Å; L266-F269 PolarHBondContact O-N 3.43Å
267	P	80.8	Confident	86.6	Confident	122 Å²	122	57.4 Å²	57.4	79%	0.792	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	126.2	178.2	-26.7	34.4	0	0	0	111.8	F269	P267-F269 WeakPolarHBondContact O-CD2 3.49Å
268	G	81	Confident	86.6	Confident	49 Å²	49	58.8 Å²	58.8	51%	0.505	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-0.8	178.9	0	0	0	0	0	115.7	L266 K272	L266-G268 PolarHBondContact O-N 2.84Å; G268-K272 WeakPolarHBondContact O-CE 3.4Å
269	F	80.9	Confident	86.6	Confident	62 Å²	62	53.5 Å²	53.5	27%	0.272	31%	0.31	S	S	.	.			trans	-104.8	-5.6	180	-74.3	-103.7	0	0	0	114.2	F183 W219 S262 L266 P267	F183-F269 HydrophobicContact CE1-CD1 4.04Å; F183-F269 AromaticContact CE1-CE1 3.76Å; F183-F269 HydrophobicContact CE1-CE1 3.76Å; F183-F269 HydrophobicContact CE1-CZ 4.4Å; F183-F269 HydrophobicContact CE2-CE1 4.2Å; F183-F269 HydrophobicContact CE2-CE2 4.41Å; F183-F269 HydrophobicContact CE2-CZ 4.04Å; F183-F269 AromaticContact CZ-CD1 3.87Å; F183-F269 HydrophobicContact CZ-CD1 3.87Å; F183-F269 AromaticContact CZ-CE1 3.27Å; F183-F269 HydrophobicContact CZ-CE1 3.27Å; F183-F269 HydrophobicContact CZ-CE2 4.23Å; F183-F269 AromaticContact CZ-CZ 3.48Å; F183-F269 HydrophobicContact CZ-CZ 3.48Å; F183-F269 VanDerWaalsContact CZ-CZ 3.48Å; W219-F269 HydrophobicContact CH2-CB 4.08Å; W219-F269 AromaticContact CH2-CD1 3.85Å; W219-F269 HydrophobicContact CH2-CD1 3.85Å; W219-F269 HydrophobicContact CH2-CG 4.42Å; W219-F269 WeakPolarHBondContact CH2-O 3.47Å; W219-F269 HydrophobicContact CZ3-CD1 4.31Å; S262-F269 WeakPolarHBondContact CB-O 3.46Å; S262-F269 PolarHBondContact OG-O 3.5Å; L266-F269 HydrophobicContact CB-CB 4.13Å; L266-F269 HydrophobicContact CB-CD2 3.81Å; L266-F269 HydrophobicContact CB-CG 4.13Å; L266-F269 PolarHBondContact O-N 3.43Å; P267-F269 WeakPolarHBondContact O-CD2 3.49Å
270	S	86.4	Confident	86.7	Confident	64 Å²	64	50.3 Å²	50.3	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-91.3	153.6	175.7	-156.8	0	0	0	0	112	K272	S270-K272 VanDerWaalsContact C-N 3.34Å; S270-K272 PolarHBondContact O-N 2.89Å
271	G	84.9	Confident	86.8	Confident	30 Å²	30	50.8 Å²	50.8	31%	0.309	30%	0.304	S	S	.	.	S	Bend	trans	69.7	24.6	176.7	0	0	0	0	0	114.4	S262	S262-G271 PolarHBondContact O-N 2.93Å; S262-G271 PolarHBondContact OG-N 2.78Å
272	K	87.6	Confident	87.1	Confident	17 Å²	17	47 Å²	47	7%	0.074	29%	0.286	C	S	.	.			trans	-95.6	151.4	-177.5	-52.4	-55.8	-175.9	-175.9	0	112	F183 D184 H185 W219 E261 S262 G268 S270	F183-K272 HydrophobicContact CB-CD 4.1Å; F183-K272 HydrophobicContact CB-CG 4.38Å; D184-K272 WeakPolarHBondContact O-CA 3.47Å; H185-K272 PolarHBondContact CE1-NZ 2.9Å; H185-K272 PolarHBondContact ND1-NZ 2.87Å; W219-K272 HydrophobicContact CH2-CB 4.3Å; W219-K272 HydrophobicContact CH2-CG 4.19Å; W219-K272 HydrophobicContact CZ2-CB 3.42Å; W219-K272 VanDerWaalsContact CZ2-CB 3.42Å; W219-K272 HydrophobicContact CZ2-CG 3.63Å; E261-K272 WeakPolarHBondContact CA-O 3.3Å; S262-K272 PolarHBondContact N-O 3.22Å; S262-K272 WeakPolarHBondContact OG-CA 3.37Å; S262-K272 WeakPolarHBondContact OG-CB 3.38Å; S262-K272 WeakPolarHBondContact OG-CG 3.37Å; S262-K272 PolarHBondContact OG-N 3.19Å; G268-K272 WeakPolarHBondContact O-CE 3.4Å; S270-K272 VanDerWaalsContact C-N 3.34Å; S270-K272 PolarHBondContact O-N 2.89Å
273	K	89.7	Confident	87.4	Confident	46 Å²	46	50.6 Å²	50.6	20%	0.2	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-109.4	175.7	-178.8	-54.6	-59	-68.5	179.8	0	110.9	D184 W219 A257 F260 E261	D184-K273 HydrophobicContact CB-CB 4.44Å; D184-K273 PolarHBondContact O-N 2.83Å; W219-K273 PolarHBondContact NE1-O 3.26Å; A257-K273 WeakPolarHBondContact O-CE 3.47Å; A257-K273 PolarHBondContact O-NZ 2.81Å; F260-K273 PolarHBondContact O-NZ 2.81Å; E261-K273 HydrophobicContact CG-CD 4.34Å
274	Q	88.9	Confident	87.8	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.014	31%	0.308	C	S	.	.			trans	-154.2	143.6	175.8	-177.5	174.1	-36.8	0	0	109.2	S211 S218 W219 W227 V256	S211-Q274 PolarHBondContact O-NE2 2.92Å; S218-Q274 PolarHBondContact OG-NE2 3.43Å; W219-Q274 VanDerWaalsContact CD1-OE1 3.31Å; W227-Q274 HydrophobicContact CE3-CB 3.87Å; W227-Q274 HydrophobicContact CZ3-CB 3.89Å; V256-Q274 HydrophobicContact CG1-CB 3.88Å; V256-Q274 HydrophobicContact CG1-CG 3.84Å
275	I	91.9	Very high	88.6	Confident	55 Å²	55	55 Å²	55	28%	0.282	32%	0.32	S	S	.	.			trans	-134.3	124.2	169.3	-173.6	68.9	0	0	0	109.6	T212 V213 N253 A257	T212-I275 WeakPolarHBondContact CA-O 3.28Å; V213-I275 HydrophobicContact CG1-CG2 4.04Å; V213-I275 HydrophobicContact CG2-CG2 4Å; V213-I275 PolarHBondContact N-O 3.14Å; N253-I275 HydrophobicContact CB-CD1 3.89Å; A257-I275 HydrophobicContact CB-CD1 4.05Å
276	P	92.6	Very high	89.3	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.019	28%	0.28	C	S	.	.			trans	-68.2	156.5	172.3	-15.9	29.6	0	0	0	112	Y210 S211 F228 V252 N253 V256	Y210-P276 WeakPolarHBondContact O-CA 3.49Å; Y210-P276 VanDerWaalsContact O-CB 3.3Å; Y210-P276 WeakPolarHBondContact O-CB 3.35Å; S211-P276 WeakPolarHBondContact O-CA 3.44Å; F228-P276 HydrophobicContact CD2-CB 3.89Å; F228-P276 HydrophobicContact CD2-CG 3.81Å; F228-P276 HydrophobicContact CE2-CB 4.09Å; F228-P276 HydrophobicContact CE2-CG 4.43Å; V252-P276 HydrophobicContact CG1-CG 4.49Å; N253-P276 PolarHBondContact ND2-O 3.2Å; N253-P276 WeakPolarHBondContact OD1-CB 3.31Å; N253-P276 WeakPolarHBondContact OD1-CD 3.47Å; N253-P276 PolarHBondContact OD1-O 3.32Å; V256-P276 HydrophobicContact CB-CG 3.87Å; V256-P276 HydrophobicContact CG1-CG 4.01Å; V256-P276 HydrophobicContact CG2-CG 3.76Å
277	C	91.4	Very high	90.2	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.216	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125	178.5	176.6	0	0	0	0	109.1	Y210 V213	Y210-C277 WeakPolarHBondContact CA-O 3.27Å; Y210-C277 WeakPolarHBondContact CB-O 3.43Å; Y210-C277 PolarHBondContact N-O 3.46Å; Y210-C277 PolarHBondContact O-N 3.22Å; V213-C277 HydrophobicContact CG1-CB 3.81Å
278	F	90.3	Very high	90.9	Very high	50 Å²	50	40.4 Å²	40.4	22%	0.219	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.2	175.1	33.5	-100.1	0	0	0	111.1	Y208 A209 M246 M249 N253	Y208-F278 CarbonylContact O-C 3.51Å; Y208-F278 WeakPolarHBondContact O-CA 3.39Å; A209-F278 HydrophobicContact CB-CB 4.36Å; M246-F278 HydrophobicContact CE-CD2 3.55Å; M246-F278 HydrophobicContact CE-CE2 3.94Å; M246-F278 HydrophobicContact CE-CG 4.35Å; M249-F278 HydrophobicContact CB-CD1 3.79Å; M249-F278 HydrophobicContact CB-CE1 3.69Å; M249-F278 HydrophobicContact CB-CG 4.24Å; M249-F278 HydrophobicContact CB-CZ 4.11Å; M249-F278 HydrophobicContact CE-CD1 3.69Å; M249-F278 HydrophobicContact CE-CE1 4.29Å; M249-F278 HydrophobicContact CE-CG 4.46Å; M249-F278 HydrophobicContact CG-CD1 4.44Å; M249-F278 WeakPolarHBondContact O-CE1 3.33Å; N253-F278 HydrophobicContact CB-CE1 4.31Å; N253-F278 WeakPolarHBondContact ND2-CE1 3.24Å; N253-F278 WeakPolarHBondContact ND2-CZ 3.44Å; N253-F278 WeakPolarHBondContact OD1-CE1 3.3Å
279	V	91.3	Very high	91	Very high	35 Å²	35	40.2 Å²	40.2	21%	0.212	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.3	174.4	-172.6	0	0	0	0	107.4	I200 M207 Y208 Y210 M281	I200-V279 HydrophobicContact CD1-CB 4.03Å; I200-V279 HydrophobicContact CD1-CG1 3.25Å; I200-V279 HydrophobicContact CD1-CG2 3.93Å; M207-V279 WeakPolarHBondContact CA-O 3.19Å; Y208-V279 PolarHBondContact N-O 3.22Å; Y208-V279 PolarHBondContact O-N 3.48Å; Y210-V279 HydrophobicContact CE2-CG2 4.46Å; V279-M281 HydrophobicContact CG1-CE 4.35Å; V279-M281 HydrophobicContact CG1-SD 3.54Å; V279-M281 VanDerWaalsContact CG1-SD 3.54Å
280	S	92.3	Very high	90.5	Very high	49 Å²	49	42.1 Å²	42.1	34%	0.343	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.4	-179.4	-173.5	0	0	0	0	111	L282	S280-L282 WeakPolarHBondContact OG-CB 3.13Å; S280-L282 WeakPolarHBondContact OG-CG 3.25Å; S280-L282 PolarHBondContact OG-N 2.92Å
281	M	93.1	Very high	89.1	Confident	41 Å²	41	49.2 Å²	49.2	20%	0.202	26%	0.262	C	S	.	.			trans	-117.2	20.1	164.3	-67.9	72.6	67.1	0	0	109.8	I200 E203 A204 D205 F206 Y208 V279	I200-M281 HydrophobicContact CG2-CE 3.88Å; I200-M281 HydrophobicContact CG2-SD 4.01Å; E203-M281 VanDerWaalsContact O-CB 3.25Å; E203-M281 WeakPolarHBondContact O-CB 3.45Å; A204-M281 CarbonylContact C-O 3.51Å; D205-M281 PolarHBondContact N-O 3.09Å; F206-M281 HydrophobicContact CB-CE 4.02Å; F206-M281 CarbonylContact O-C 3.59Å; F206-M281 WeakPolarHBondContact O-CA 3.26Å; F206-M281 PolarHBondContact O-N 2.78Å; Y208-M281 HydrophobicContact CD2-CE 3.61Å; Y208-M281 HydrophobicContact CE2-CE 3.35Å; V279-M281 HydrophobicContact CG1-CE 4.35Å; V279-M281 HydrophobicContact CG1-SD 3.54Å; V279-M281 VanDerWaalsContact CG1-SD 3.54Å
282	L	94.3	Very high	89.3	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	26%	0.26	C	S	.	.			trans	-60.7	139.4	170.1	-61.7	-177.7	0	0	0	109.2	Y52 P170 L172 F206 M207 L245 S280	Y52-L282 HydrophobicContact CE2-CB 4.15Å; Y52-L282 HydrophobicContact CE2-CD2 4.1Å; P170-L282 HydrophobicContact CB-CD2 4.19Å; L172-L282 HydrophobicContact CD2-CD1 4.42Å; L172-L282 HydrophobicContact CD2-CD2 4.23Å; F206-L282 PolarHBondContact O-N 3.24Å; M207-L282 HydrophobicContact CB-CD1 4.26Å; M207-L282 HydrophobicContact CB-CD2 4.38Å; M207-L282 HydrophobicContact CB-CG 4.17Å; L245-L282 HydrophobicContact CD2-CD1 4.1Å; S280-L282 WeakPolarHBondContact OG-CB 3.13Å; S280-L282 WeakPolarHBondContact OG-CG 3.25Å; S280-L282 PolarHBondContact OG-N 2.92Å
283	T	92.4	Very high	89.4	Confident	80 Å²	80	51.9 Å²	51.9	49%	0.491	27%	0.27	S	S	.	.	S	Bend	trans	-102	-5	-178.2	59.5	0	0	0	0	112.9	Y52 A204 D205	Y52-T283 PolarHBondContact OH-N 3.24Å; Y52-T283 PolarHBondContact OH-OG1 3.02Å; A204-T283 HydrophobicContact CB-CG2 3.74Å; D205-T283 PolarHBondContact OD1-OG1 2.65Å
284	K	95.1	Very high	89.4	Confident	83 Å²	83	52.3 Å²	52.3	36%	0.361	27%	0.274	S	S	.	.	S	Bend	trans	-149.2	158.6	-175.8	-62.3	178.2	-170.1	172.9	0	109.4	M49 Y50 Y52	M49-K284 WeakPolarHBondContact O-CD 3.31Å; M49-K284 VanDerWaalsContact O-CE 3.32Å; M49-K284 WeakPolarHBondContact O-CE 3.46Å; Y50-K284 CarbonylContact O-C 3.45Å; Y50-K284 VanDerWaalsContact O-CA 3.27Å; Y50-K284 WeakPolarHBondContact O-CA 3.28Å; Y50-K284 VanDerWaalsContact O-CB 3.28Å; Y50-K284 WeakPolarHBondContact O-CB 3.27Å; Y52-K284 HydrophobicContact CD1-CB 4.29Å; Y52-K284 HydrophobicContact CD1-CD 4.16Å; Y52-K284 HydrophobicContact CD2-CB 3.6Å; Y52-K284 WeakPolarHBondContact CD2-O 3.48Å; Y52-K284 HydrophobicContact CE1-CB 4.31Å; Y52-K284 HydrophobicContact CE1-CD 4.31Å; Y52-K284 HydrophobicContact CE2-CB 3.66Å; Y52-K284 WeakPolarHBondContact CE2-O 3.44Å; Y52-K284 HydrophobicContact CG-CB 3.94Å; Y52-K284 HydrophobicContact CG-CD 4.43Å
285	D	96.9	Very high	89.4	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.364	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-64.5	133.7	171.2	-69.1	-3.9	0	0	0	110.4	Y50 Y52 E244 Y287	Y50-D285 PolarHBondContact O-N 3.05Å; Y52-D285 PolarHBondContact N-O 2.9Å; E244-D285 HydrophobicContact CG-CB 3.64Å; D285-Y287 HydrophobicContact CB-CD2 4.22Å; D285-Y287 HydrophobicContact CB-CE2 3.58Å
286	F	97.2	Very high	89.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.			trans	-112.8	121.6	175.4	-175.5	-109	0	0	0	110.8	Y52 T54 M59 P170 L172 E244 L245 F288	Y52-F286 HydrophobicContact CD2-CB 4.02Å; Y52-F286 HydrophobicContact CD2-CD2 4.32Å; Y52-F286 HydrophobicContact CG-CD2 4.5Å; T54-F286 HydrophobicContact CG2-CD2 4.37Å; T54-F286 HydrophobicContact CG2-CE2 3.87Å; M59-F286 HydrophobicContact CE-CE2 4.35Å; M59-F286 HydrophobicContact CE-CZ 3.75Å; P170-F286 HydrophobicContact CB-CD2 4.2Å; P170-F286 HydrophobicContact CB-CE2 4.32Å; P170-F286 HydrophobicContact CG-CD2 3.52Å; P170-F286 HydrophobicContact CG-CE2 3.8Å; P170-F286 HydrophobicContact CG-CG 4.2Å; L172-F286 HydrophobicContact CD1-CD1 4.1Å; L172-F286 HydrophobicContact CD1-CE1 3.74Å; L172-F286 HydrophobicContact CD1-CZ 4.42Å; E244-F286 PolarHBondContact OE1-N 3.49Å; E244-F286 VanDerWaalsContact OE1-N 3.17Å; L245-F286 HydrophobicContact CB-CB 4.26Å; L245-F286 HydrophobicContact CB-CD1 4.13Å; L245-F286 WeakPolarHBondContact CB-O 3.38Å; L245-F286 HydrophobicContact CD2-CB 4.44Å; L245-F286 HydrophobicContact CD2-CD1 3.88Å; L245-F286 PolarHBondContact N-O 2.98Å; F286-F288 HydrophobicContact CD1-CE2 4.36Å; F286-F288 HydrophobicContact CD1-CZ 4.42Å; F286-F288 AromaticContact CE1-CD1 3.78Å; F286-F288 HydrophobicContact CE1-CD1 3.78Å; F286-F288 HydrophobicContact CE1-CD2 4.19Å; F286-F288 AromaticContact CE1-CE1 3.59Å; F286-F288 HydrophobicContact CE1-CE1 3.59Å; F286-F288 HydrophobicContact CE1-CE2 4.01Å; F286-F288 HydrophobicContact CE1-CG 4.1Å; F286-F288 AromaticContact CE1-CZ 3.71Å; F286-F288 HydrophobicContact CE1-CZ 3.71Å; F286-F288 HydrophobicContact CZ-CD1 4.23Å; F286-F288 HydrophobicContact CZ-CE1 4.22Å
287	Y	96.1	Very high	89	Confident	52 Å²	52	58.7 Å²	58.7	20%	0.204	31%	0.308	C	S	.	.			trans	-114.1	127.6	173.5	-65.7	-100	0	0	0	108	R51 E244 D285	R51-Y287 HydrophobicContact CG-CD2 4.31Å; R51-Y287 VanDerWaalsContact NE-CD2 3.27Å; R51-Y287 VanDerWaalsContact NE-CE2 3.29Å; E244-Y287 HydrophobicContact CB-CD1 4.34Å; E244-Y287 HydrophobicContact CB-CE1 3.72Å; E244-Y287 HydrophobicContact CB-CE2 4.03Å; E244-Y287 HydrophobicContact CG-CD2 4.39Å; E244-Y287 HydrophobicContact CG-CE1 4.44Å; E244-Y287 HydrophobicContact CG-CE2 3.85Å; E244-Y287 VanDerWaalsContact N-CE1 3.33Å; D285-Y287 HydrophobicContact CB-CD2 4.22Å; D285-Y287 HydrophobicContact CB-CE2 3.58Å
288	F	93.9	Very high	88.9	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-67.6	136	164.4	-65.8	-84	0	0	0	108.8	M59 F93 L96 Y98 L172 L236 G241 L245 F286	M59-F288 HydrophobicContact CE-CD1 4.22Å; F93-F288 HydrophobicContact CE1-CE1 4.22Å; F93-F288 HydrophobicContact CE1-CZ 4.34Å; L96-F288 HydrophobicContact CB-CD1 4.24Å; L96-F288 HydrophobicContact CD1-CD1 3.88Å; L96-F288 HydrophobicContact CD1-CE1 3.92Å; L96-F288 HydrophobicContact CD1-CG 4.23Å; L96-F288 HydrophobicContact CD1-CZ 4.32Å; L96-F288 HydrophobicContact CD2-CB 3.96Å; L96-F288 HydrophobicContact CD2-CD1 4.34Å; L96-F288 HydrophobicContact CD2-CG 4.16Å; L96-F288 HydrophobicContact CG-CD1 4.38Å; Y98-F288 AromaticContact CE2-CD1 4Å; Y98-F288 HydrophobicContact CE2-CD1 4Å; Y98-F288 AromaticContact CE2-CE1 3.75Å; Y98-F288 HydrophobicContact CE2-CE1 3.75Å; Y98-F288 WeakPolarHBondContact OH-CE1 3.27Å; L172-F288 HydrophobicContact CD1-CZ 4.17Å; L236-F288 HydrophobicContact CD2-CD2 3.79Å; L236-F288 HydrophobicContact CD2-CE2 3.29Å; L236-F288 HydrophobicContact CD2-CZ 3.94Å; G241-F288 WeakPolarHBondContact CA-O 3.49Å; G241-F288 PolarHBondContact N-O 2.96Å; G241-F288 VanDerWaalsContact N-O 3.09Å; L245-F288 HydrophobicContact CD1-CE2 3.77Å; L245-F288 HydrophobicContact CD1-CZ 4.34Å; F286-F288 HydrophobicContact CD1-CE2 4.36Å; F286-F288 HydrophobicContact CD1-CZ 4.42Å; F286-F288 AromaticContact CE1-CD1 3.78Å; F286-F288 HydrophobicContact CE1-CD1 3.78Å; F286-F288 HydrophobicContact CE1-CD2 4.19Å; F286-F288 AromaticContact CE1-CE1 3.59Å; F286-F288 HydrophobicContact CE1-CE1 3.59Å; F286-F288 HydrophobicContact CE1-CE2 4.01Å; F286-F288 HydrophobicContact CE1-CG 4.1Å; F286-F288 AromaticContact CE1-CZ 3.71Å; F286-F288 HydrophobicContact CE1-CZ 3.71Å; F286-F288 HydrophobicContact CZ-CD1 4.23Å; F286-F288 HydrophobicContact CZ-CE1 4.22Å
289	P	83.4	Confident	88.8	Confident	45 Å²	45	61.4 Å²	61.4	29%	0.292	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.7	-179	26.8	-34	0	0	0	111.1	M59	M59-P289 HydrophobicContact CE-CG 4.32Å; M59-P289 HydrophobicContact CG-CG 4.01Å; M59-P289 WeakPolarHBondContact SD-CD 3.45Å; M59-P289 HydrophobicContact SD-CG 3.55Å; M59-P289 VanDerWaalsContact SD-CG 3.55Å
290	T	71.2	Confident	88.5	Confident	103 Å²	103	63.6 Å²	63.6	63%	0.632	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-68.4	126	160.2	41.6	0	0	0	0	108.4
291	K	56.6	Low	88.2	Confident	213 Å²	213	64.9 Å²	64.9	93%	0.926	33%	0.329	S	S	*	.			trans	-75.2	0	162.4	-81.3	-174.8	177.5	164.3	0	110.3	I94 K95	I94-K291 PolarHBondContact O-NZ 3.39Å; I94-K291 VanDerWaalsContact O-NZ 3.15Å; K95-K291 VanDerWaalsContact O-CD 3.31Å; K95-K291 WeakPolarHBondContact O-CD 3.38Å; K95-K291 WeakPolarHBondContact O-CE 3.38Å; K95-K291 PolarHBondContact O-NZ 2.88Å

Retrieved 291 of 291 residues in 766.3 ms (Link to these results)

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