A0A087XX57_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase 39

AlphaFold DB , UniProt , Accession A0A087XX57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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	34	Very low	32.8	Very low	240 Å²	240	154.5 Å²	154.5	100%	1.182	85%	0.847	S	S	*	*				0	127.6	0	-91.3	166.7	149.4	0	0	109.1
2	S	34.6	Very low	32.4	Very low	105 Å²	105	160.7 Å²	160.7	73%	0.734	85%	0.85	S	S	*	*			trans	63.2	107.4	151.8	62.8	0	0	0	0	122.8
3	N	31.2	Very low	32	Very low	161 Å²	161	161.9 Å²	161.9	86%	0.861	85%	0.849	S	S	*	*				73.7	111.4	119.9	-66.6	1.8	0	0	0	123.1
4	R	27.7	Very low	31.7	Very low	239 Å²	239	163.8 Å²	163.8	90%	0.902	85%	0.854	S	S	*	*			trans	-108.7	166	132.6	-83.4	-172.4	-173.7	-160	2.8	107.4
5	P	39.7	Very low	31.4	Very low	122 Å²	122	162.6 Å²	162.6	79%	0.792	85%	0.847	S	S	*	*			cis	-139.5	-169.7	25.5	39	-15.4	0	0	0	114.7
6	P	42.4	Very low	31.1	Very low	127 Å²	127	159.7 Å²	159.7	83%	0.825	85%	0.845	S	S	*	*			trans	-107.6	169.2	-164.7	39.6	-29.6	0	0	0	115.4
7	G	31.7	Very low	30.9	Very low	77 Å²	77	159.6 Å²	159.6	79%	0.794	84%	0.844	S	S	*	*			trans	97.9	112.2	145.6	0	0	0	0	0	118
8	S	30.5	Very low	30.6	Very low	113 Å²	113	161.8 Å²	161.8	79%	0.79	85%	0.845	S	S	*	*			trans	-159.2	121	143.8	44.7	0	0	0	0	110.8
9	R	30.8	Very low	30.4	Very low	250 Å²	250	166.6 Å²	166.6	94%	0.943	85%	0.851	S	S	*	*			trans	-89.8	130.7	161.2	-84.3	177.9	169.5	177	-3.6	106.6
10	I	32	Very low	30.3	Very low	143 Å²	143	167.2 Å²	167.2	73%	0.733	85%	0.85	S	S	*	*			trans	-122.8	116.1	167.8	-60.2	179.2	0	0	0	108.1
11	T	26.4	Very low	30.1	Very low	123 Å²	123	170.4 Å²	170.4	76%	0.755	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-80.4	138.2	170	42.3	0	0	0	0	109.7
12	Y	28.3	Very low	29.8	Very low	228 Å²	228	166.5 Å²	166.5	89%	0.894	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-95	118.6	167.9	-87.4	-87.3	0	0	0	109.9
13	E	26.9	Very low	29.3	Very low	177 Å²	177	168.9 Å²	168.9	83%	0.827	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-77	142.9	177.4	-80.8	174.5	133	0	0	112.7
14	M	27.2	Very low	29.2	Very low	188 Å²	188	170.5 Å²	170.5	93%	0.926	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-79	121.2	164.1	-72.1	-168.9	-160.2	0	0	109.9
15	I	28.3	Very low	29.2	Very low	146 Å²	146	167.7 Å²	167.7	75%	0.749	84%	0.84	S	S	*	*			trans	-89.8	112.3	172.6	-64.6	170.5	0	0	0	108.9	L17	I15-L17 HydrophobicContact CG2-CD1 4.07Å; I15-L17 HydrophobicContact CG2-CG 4.01Å
16	S	26.6	Very low	28.5	Very low	116 Å²	116	168.8 Å²	168.8	81%	0.811	84%	0.839	S	S	*	*			trans	-91.2	119.4	163.7	-72.1	0	0	0	0	109.2
17	L	27	Very low	27.8	Very low	158 Å²	158	171 Å²	171	83%	0.827	84%	0.844	S	S	*	*			trans	-107	106.6	171.3	-84.5	158.3	0	0	0	109.8	I15	I15-L17 HydrophobicContact CG2-CD1 4.07Å; I15-L17 HydrophobicContact CG2-CG 4.01Å
18	K	26	Very low	27.6	Very low	200 Å²	200	174.1 Å²	174.1	87%	0.87	84%	0.842	S	S	*	*			trans	-59.2	141.4	160.7	-76.3	170.6	171.4	174.8	0	108.8
19	R	27.2	Very low	27.5	Very low	253 Å²	253	176.7 Å²	176.7	96%	0.955	85%	0.847	S	S	*	*			trans	-121.9	130.6	164.5	-138.6	174.9	-176.1	175.6	-0.6	109.3
20	E	27.4	Very low	27.4	Very low	178 Å²	178	173.2 Å²	173.2	83%	0.832	84%	0.841	S	S	*	*			trans	-77.5	158.5	-164.3	-71.7	158.2	150.4	0	0	113
21	R	25.5	Very low	27.2	Very low	235 Å²	235	175 Å²	175	89%	0.887	85%	0.847	S	S	*	*			trans	-84.2	127.5	169.3	-72.8	174.9	-178.5	173.7	-1.3	107.8
22	D	28.2	Very low	27.3	Very low	158 Å²	158	176.5 Å²	176.5	85%	0.845	85%	0.85	S	S	*	*			trans	-113.6	127.1	158.7	-75.1	-34.1	0	0	0	108.7
23	N	25.1	Very low	27.1	Very low	154 Å²	154	169.5 Å²	169.5	82%	0.824	85%	0.847	S	S	*	*			trans	-82.1	131.2	168.3	-75.3	-19.4	0	0	0	107.8
24	E	28.4	Very low	27.2	Very low	195 Å²	195	167.5 Å²	167.5	91%	0.911	85%	0.847	S	S	*	*			trans	-128.7	129.8	151.7	-77.7	-175.3	162.9	0	0	107.9
25	E	27.5	Very low	27.2	Very low	180 Å²	180	163.1 Å²	163.1	84%	0.841	84%	0.84	S	S	*	*			trans	-77.5	143.8	-173.5	-69.2	168.5	158.5	0	0	111.8
26	D	25.3	Very low	27.2	Very low	146 Å²	146	162.3 Å²	162.3	78%	0.781	84%	0.842	S	S	*	*			trans	35.3	116	136.5	-60	-20.3	0	0	0	120.7
27	D	27.5	Very low	27.3	Very low	174 Å²	174	166.2 Å²	166.2	93%	0.93	84%	0.844	S	S	*	*			trans	-136.9	116.4	134.3	-102.4	-29.3	0	0	0	108.7
28	D	27.5	Very low	27.6	Very low	141 Å²	141	170.9 Å²	170.9	75%	0.754	85%	0.851	S	S	*	*			trans	-65.5	133.4	172.2	-84.7	-46.8	0	0	0	110.8
29	D	28.9	Very low	27.6	Very low	168 Å²	168	164.6 Å²	164.6	90%	0.898	84%	0.843	S	S	*	*			trans	-143.1	110	144.9	-100.4	-28.8	0	0	0	109.6
30	H	27.8	Very low	28.1	Very low	176 Å²	176	165.2 Å²	165.2	82%	0.815	85%	0.845	S	S	*	*			trans	-64.4	130.5	168.8	-95.3	-70.5	0	0	0	110.4
31	E	28.5	Very low	28.2	Very low	182 Å²	182	159.7 Å²	159.7	85%	0.85	84%	0.836	S	S	*	*			trans	-166.4	122	131.8	-108.7	172.5	-167.4	0	0	113.1
32	D	27.9	Very low	28.5	Very low	153 Å²	153	160.5 Å²	160.5	82%	0.818	84%	0.839	S	S	*	*			trans	56.9	97.1	154.2	-67	-15.5	0	0	0	122.2
33	G	24.6	Very low	29.1	Very low	81 Å²	81	160.1 Å²	160.1	84%	0.835	84%	0.842	S	S	*	*			trans	-74.4	126.5	163.7	0	0	0	0	0	113.5
34	V	28.7	Very low	29.7	Very low	135 Å²	135	155.7 Å²	155.7	82%	0.818	83%	0.833	S	S	*	*			trans	-106.6	98	152.4	-175.7	0	0	0	0	108.2	V36	V34-V36 PolarHBondContact O-N 3.42Å; V34-V36 VanDerWaalsContact O-N 3.16Å
35	A	26.4	Very low	30.6	Very low	96 Å²	96	152.4 Å²	152.4	79%	0.793	82%	0.818	S	S	*	*			trans	-69.3	103.7	177.9	0	0	0	0	0	111.4	K37	A35-K37 PolarHBondContact O-N 3.06Å
36	V	30.3	Very low	31.9	Very low	130 Å²	130	147.1 Å²	147.1	79%	0.788	80%	0.795	S	S	*	*			trans	-85.9	102.8	165	-177.5	0	0	0	0	109	V34 R38	V34-V36 PolarHBondContact O-N 3.42Å; V34-V36 VanDerWaalsContact O-N 3.16Å; V36-R38 PolarHBondContact O-N 3.49Å
37	K	28.6	Very low	33.6	Very low	197 Å²	197	151.1 Å²	151.1	86%	0.857	80%	0.799	S	S	*	*			trans	-52.1	118	173.8	-74.8	176.2	175.2	174.3	0	111.2	A35 G39	A35-K37 PolarHBondContact O-N 3.06Å; K37-G39 VanDerWaalsContact C-N 3.35Å; K37-G39 PolarHBondContact O-N 3.19Å
38	R	32.5	Very low	35.4	Very low	256 Å²	256	149.3 Å²	149.3	97%	0.966	78%	0.779	S	S	*	*			trans	-71.6	88.5	162.6	-79.8	-177.7	173	178.8	-0.7	109.6	V36	V36-R38 PolarHBondContact O-N 3.49Å
39	G	26.9	Very low	37.5	Very low	68 Å²	68	143 Å²	143	70%	0.701	75%	0.746	S	S	*	*			trans	-78	119.8	162.5	0	0	0	0	0	110.2	K37 G41	K37-G39 VanDerWaalsContact C-N 3.35Å; K37-G39 PolarHBondContact O-N 3.19Å; G39-G41 PolarHBondContact O-N 3.4Å
40	R	36.6	Very low	39.6	Very low	267 Å²	267	141.9 Å²	141.9	100%	1.008	73%	0.729	S	S	*	*			trans	-64.9	84.6	160.6	-89.4	177	166.2	170.4	-4	108.3
41	G	28.6	Very low	41.8	Very low	62 Å²	62	140.7 Å²	140.7	64%	0.639	72%	0.724	S	S	*	*			trans	-97.8	139.1	169.9	0	0	0	0	0	110.4	G39 V43	G39-G41 PolarHBondContact O-N 3.4Å; G41-V43 PolarHBondContact O-N 3.42Å
42	R	33.6	Very low	44.1	Very low	252 Å²	252	132.4 Å²	132.4	95%	0.951	69%	0.686	S	S	*	*			trans	-42	135.3	164.9	-73.3	171	171.3	174.7	-4.1	109.6	G44	R42-G44 VanDerWaalsContact C-N 3.28Å; R42-G44 PolarHBondContact O-N 3.43Å
43	V	40.3	Very low	46.6	Very low	150 Å²	150	129.4 Å²	129.4	91%	0.909	68%	0.675	S	S	*	*			trans	-59	92.6	173.7	-177.4	0	0	0	0	107.8	G41	G41-V43 PolarHBondContact O-N 3.42Å
44	G	38	Very low	49.4	Very low	61 Å²	61	129.2 Å²	129.2	63%	0.629	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-71.2	126.7	168.5	0	0	0	0	0	107.4	R42 D46	R42-G44 VanDerWaalsContact C-N 3.28Å; R42-G44 PolarHBondContact O-N 3.43Å; G44-D46 PolarHBondContact O-N 2.92Å; G44-D46 VanDerWaalsContact O-N 3.09Å
45	E	45.9	Very low	51.9	Low	126 Å²	126	124.3 Å²	124.3	59%	0.589	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-50.9	118.3	167.2	-69.1	-177	169.4	0	0	107.9	R47 R50	E45-R47 PolarHBondContact O-N 2.88Å; E45-R50 IonicContact OE1-NH2 2.67Å; E45-R50 IonicContact OE2-CZ 3.27Å; E45-R50 IonicContact OE2-NE 3.13Å; E45-R50 IonicContact OE2-NH2 3.02Å; E45-R50 PolarHBondContact OE2-NH2 2.63Å
46	D	56.1	Low	54.5	Low	68 Å²	68	127.2 Å²	127.2	36%	0.364	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-59.7	124.6	175.6	-160.5	-19.6	0	0	0	106.9	G44 R48 S49	G44-D46 PolarHBondContact O-N 2.92Å; G44-D46 VanDerWaalsContact O-N 3.09Å; D46-R48 PolarHBondContact O-N 3.34Å; D46-R48 IonicContact OD1-NE 3Å; D46-R48 PolarHBondContact OD1-NE 3.18Å; D46-R48 IonicContact OD2-NE 3.56Å; D46-S49 VanDerWaalsContact O-CB 3.22Å; D46-S49 WeakPolarHBondContact O-CB 3.42Å; D46-S49 PolarHBondContact O-N 2.8Å; D46-S49 PolarHBondContact O-OG 3.06Å
47	R	61.1	Low	57.2	Low	230 Å²	230	123.7 Å²	123.7	87%	0.868	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-57.7	-22.1	-175.6	-81.4	180	157	-173.9	-6.1	112.6	E45 S49 H51	E45-R47 PolarHBondContact O-N 2.88Å; R47-S49 VanDerWaalsContact C-N 3.33Å; R47-H51 PolarHBondContact O-ND1 3.4Å
48	R	65.5	Low	60	Low	137 Å²	137	114.9 Å²	114.9	52%	0.517	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-72.4	-20.6	175.4	-71.2	179	-89.2	-166.6	-7.1	114	D46 R50 H51 Y126	D46-R48 PolarHBondContact O-N 3.34Å; D46-R48 IonicContact OD1-NE 3Å; D46-R48 PolarHBondContact OD1-NE 3.18Å; D46-R48 IonicContact OD2-NE 3.56Å; R48-R50 PolarHBondContact O-N 3.03Å; R48-H51 CarbonylContact O-C 3.6Å; R48-H51 PolarHBondContact O-N 3.24Å; R48-H51 VanDerWaalsContact O-N 3.09Å; R48-Y126 HydrophobicContact CB-CD1 4.47Å; R48-Y126 HydrophobicContact CB-CD2 4.08Å; R48-Y126 HydrophobicContact CB-CE1 4.45Å; R48-Y126 HydrophobicContact CB-CE2 4.04Å; R48-Y126 HydrophobicContact CB-CG 4.29Å
49	S	71.1	Confident	62.4	Low	9 Å²	9	105.9 Å²	105.9	6%	0.063	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.4	-179.1	-69	0	0	0	0	113.6	D46 R47 E127 I128 I129	D46-S49 VanDerWaalsContact O-CB 3.22Å; D46-S49 WeakPolarHBondContact O-CB 3.42Å; D46-S49 PolarHBondContact O-N 2.8Å; D46-S49 PolarHBondContact O-OG 3.06Å; R47-S49 VanDerWaalsContact C-N 3.33Å; S49-E127 WeakPolarHBondContact CA-O 3.45Å; S49-E127 WeakPolarHBondContact CB-O 3.35Å; S49-E127 PolarHBondContact OG-O 2.76Å; S49-I128 CarbonylContact O-C 3.57Å; S49-I128 WeakPolarHBondContact O-CA 3.29Å; S49-I129 PolarHBondContact O-N 2.78Å
50	R	72.4	Confident	65.1	Low	143 Å²	143	104.6 Å²	104.6	54%	0.54	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-101.6	-2.4	178.1	-58.7	-175.1	-167.8	-167.6	4.9	114	E45 R48	E45-R50 IonicContact OE1-NH2 2.67Å; E45-R50 IonicContact OE2-CZ 3.27Å; E45-R50 IonicContact OE2-NE 3.13Å; E45-R50 IonicContact OE2-NH2 3.02Å; E45-R50 PolarHBondContact OE2-NH2 2.63Å; R48-R50 PolarHBondContact O-N 3.03Å
51	H	74.3	Confident	67.3	Low	151 Å²	151	95.2 Å²	95.2	70%	0.699	48%	0.482	S	S	*	.			trans	-135.8	60.2	-175.4	-60.5	94.2	0	0	0	109.7	R47 R48	R47-H51 PolarHBondContact O-ND1 3.4Å; R48-H51 CarbonylContact O-C 3.6Å; R48-H51 PolarHBondContact O-N 3.24Å; R48-H51 VanDerWaalsContact O-N 3.09Å
52	C	76.1	Confident	70	Confident	8 Å²	8	95.1 Å²	95.1	5%	0.054	47%	0.469	C	S	.	.			trans	-82.6	121.1	176.1	-179.5	0	0	0	0	109.6	Y54 L55 Y126 I128	C52-Y54 PolarHBondContact O-N 2.62Å; C52-L55 HydrophobicContact CB-CD1 4.15Å; C52-L55 HydrophobicContact CB-CG 4Å; C52-L55 WeakPolarHBondContact O-CD1 3.5Å; C52-L55 WeakPolarHBondContact O-CG 3.42Å; C52-Y126 HydrophobicContact CB-CE2 4.15Å; C52-Y126 PolarHBondContact SG-OH 3.37Å; C52-Y126 VanDerWaalsContact SG-OH 3.36Å; C52-I128 HydrophobicContact CB-CD1 4.17Å; C52-I128 HydrophobicContact CB-CG1 4.07Å; C52-I128 HydrophobicContact CB-CG2 4.15Å
53	P	81.6	Confident	72.4	Confident	90 Å²	90	83.4 Å²	83.4	58%	0.584	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.9	-178.6	30.8	-35.2	0	0	0	112.9
54	Y	81.9	Confident	74.4	Confident	77 Å²	77	78 Å²	78	30%	0.302	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.7	-173.9	-54.4	-67.8	0	0	0	113.5	C52 D56 T57 H109 V110	C52-Y54 PolarHBondContact O-N 2.62Å; Y54-D56 PolarHBondContact O-N 2.74Å; Y54-T57 WeakPolarHBondContact O-CB 3.44Å; Y54-T57 PolarHBondContact O-N 2.87Å; Y54-T57 VanDerWaalsContact O-N 3.09Å; Y54-T57 PolarHBondContact O-OG1 3.29Å; Y54-H109 HydrophobicContact CD1-CB 4.18Å; Y54-H109 AromaticContact CD1-ND1 3.7Å; Y54-H109 HydrophobicContact CD2-CB 3.69Å; Y54-H109 AromaticContact CE1-ND1 3.72Å; Y54-H109 HydrophobicContact CE2-CB 4.18Å; Y54-H109 HydrophobicContact CG-CB 3.68Å; Y54-V110 WeakPolarHBondContact O-CG2 3.48Å
55	L	81.5	Confident	76.6	Confident	32 Å²	32	75.4 Å²	75.4	17%	0.168	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.4	178.3	-72.8	166.6	0	0	0	112.4	C52 T57 I58 I128 L133	C52-L55 HydrophobicContact CB-CD1 4.15Å; C52-L55 HydrophobicContact CB-CG 4Å; C52-L55 WeakPolarHBondContact O-CD1 3.5Å; C52-L55 WeakPolarHBondContact O-CG 3.42Å; L55-T57 PolarHBondContact O-N 3.23Å; L55-I58 HydrophobicContact CD2-CD1 3.97Å; L55-I58 WeakPolarHBondContact O-CB 3.48Å; L55-I58 WeakPolarHBondContact O-CD1 3.2Å; L55-I58 VanDerWaalsContact O-CG1 3.29Å; L55-I58 WeakPolarHBondContact O-CG1 3.41Å; L55-I58 PolarHBondContact O-N 3.48Å; L55-I128 HydrophobicContact CD2-CG2 4.09Å; L55-L133 HydrophobicContact CD2-CD1 3.71Å; L55-L133 HydrophobicContact CD2-CD2 3.97Å; L55-L133 HydrophobicContact CD2-CG 4.12Å
56	D	82.6	Confident	78.4	Confident	157 Å²	157	70.4 Å²	70.4	84%	0.84	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-69.9	-17.5	179	-61.7	-25.2	0	0	0	113.2	Y54 I58	Y54-D56 PolarHBondContact O-N 2.74Å; D56-I58 PolarHBondContact O-N 2.81Å
57	T	86.4	Confident	79.6	Confident	57 Å²	57	71.3 Å²	71.3	35%	0.35	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-78.5	-7.6	178	67.9	0	0	0	0	113.1	Y54 L55 N59	Y54-T57 WeakPolarHBondContact O-CB 3.44Å; Y54-T57 PolarHBondContact O-N 2.87Å; Y54-T57 VanDerWaalsContact O-N 3.09Å; Y54-T57 PolarHBondContact O-OG1 3.29Å; L55-T57 PolarHBondContact O-N 3.23Å; T57-N59 PolarHBondContact O-N 2.84Å
58	I	86.8	Confident	80.5	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.062	32%	0.318	C	S	.	.			trans	-73.3	119.8	-177.1	-63	170.9	0	0	0	109.9	L55 D56 R60 L84 V110 L133 I136	L55-I58 HydrophobicContact CD2-CD1 3.97Å; L55-I58 WeakPolarHBondContact O-CB 3.48Å; L55-I58 WeakPolarHBondContact O-CD1 3.2Å; L55-I58 VanDerWaalsContact O-CG1 3.29Å; L55-I58 WeakPolarHBondContact O-CG1 3.41Å; L55-I58 PolarHBondContact O-N 3.48Å; D56-I58 PolarHBondContact O-N 2.81Å; I58-R60 HydrophobicContact CG2-CG 4.4Å; I58-L84 HydrophobicContact CB-CB 4.49Å; I58-L84 HydrophobicContact CD1-CD1 4Å; I58-L84 HydrophobicContact CG1-CB 4Å; I58-L84 HydrophobicContact CG1-CD1 4.31Å; I58-L84 HydrophobicContact CG2-CB 4.04Å; I58-V110 HydrophobicContact CD1-CG1 4.05Å; I58-V110 HydrophobicContact CG1-CB 4.3Å; I58-V110 HydrophobicContact CG1-CG1 4.27Å; I58-V110 HydrophobicContact CG1-CG2 4.36Å; I58-L133 HydrophobicContact CD1-CD2 3.46Å; I58-L133 VanDerWaalsContact CD1-CD2 3.46Å; I58-I136 HydrophobicContact CG2-CD1 4Å
59	N	83.1	Confident	81.5	Confident	66 Å²	66	60.4 Å²	60.4	35%	0.353	31%	0.305	S	S	.	.			trans	-106.3	103.9	175.7	-172.6	-6.7	0	0	0	110.3	T57 S61 V62 L63 L84	T57-N59 PolarHBondContact O-N 2.84Å; N59-S61 VanDerWaalsContact CG-OG 3.3Å; N59-S61 PolarHBondContact ND2-OG 3.08Å; N59-S61 PolarHBondContact O-N 3.01Å; N59-S61 WeakPolarHBondContact OD1-CB 3.45Å; N59-S61 PolarHBondContact OD1-N 3.24Å; N59-S61 PolarHBondContact OD1-OG 3.15Å; N59-V62 HydrophobicContact CB-CG2 4.07Å; N59-V62 VanDerWaalsContact O-CG2 3.25Å; N59-V62 WeakPolarHBondContact O-CG2 3.1Å; N59-V62 PolarHBondContact O-N 3.44Å; N59-L63 WeakPolarHBondContact O-CG 3.12Å; N59-L84 PolarHBondContact N-O 3.48Å; N59-L84 VanDerWaalsContact N-O 3.13Å
60	R	83.9	Confident	82.2	Confident	42 Å²	42	61.8 Å²	61.8	16%	0.158	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.6	-20.2	-179.5	-68.6	169.9	176	77.9	-0.5	113.7	I58 V62 L63 S132 D135 Y162 F237	I58-R60 HydrophobicContact CG2-CG 4.4Å; R60-V62 PolarHBondContact O-N 3.09Å; R60-L63 HydrophobicContact CG-CD1 4.44Å; R60-L63 PolarHBondContact O-N 2.65Å; R60-S132 PolarHBondContact NH2-O 2.89Å; R60-S132 VanDerWaalsContact NH2-O 3.11Å; R60-D135 IonicContact CZ-OD2 2.98Å; R60-D135 IonicContact NE-OD2 3.43Å; R60-D135 PolarHBondContact NE-OD2 3.1Å; R60-D135 IonicContact NH2-OD1 3.61Å; R60-D135 IonicContact NH2-OD2 3.94Å; R60-Y162 HydrophobicContact CB-CD1 3.95Å; R60-Y162 HydrophobicContact CB-CD2 4.28Å; R60-Y162 HydrophobicContact CB-CE1 3.86Å; R60-Y162 HydrophobicContact CB-CE2 4.2Å; R60-Y162 HydrophobicContact CB-CG 4.15Å; R60-Y162 VanDerWaalsContact CD-CE2 3.44Å; R60-Y162 HydrophobicContact CG-CE2 4.41Å; R60-F237 HydrophobicContact CG-CE1 4.48Å; R60-F237 HydrophobicContact CG-CZ 4.29Å
61	S	82.4	Confident	82.9	Confident	70 Å²	70	55 Å²	55	49%	0.49	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-72.3	-27.2	-178.4	65.1	0	0	0	0	113.8	N59	N59-S61 VanDerWaalsContact CG-OG 3.3Å; N59-S61 PolarHBondContact ND2-OG 3.08Å; N59-S61 PolarHBondContact O-N 3.01Å; N59-S61 WeakPolarHBondContact OD1-CB 3.45Å; N59-S61 PolarHBondContact OD1-N 3.24Å; N59-S61 PolarHBondContact OD1-OG 3.15Å
62	V	84.6	Confident	83.6	Confident	60 Å²	60	51 Å²	51	36%	0.364	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-92.5	-6.3	178.9	-58.5	0	0	0	0	113	N59 R60 D64 V85	N59-V62 HydrophobicContact CB-CG2 4.07Å; N59-V62 VanDerWaalsContact O-CG2 3.25Å; N59-V62 WeakPolarHBondContact O-CG2 3.1Å; N59-V62 PolarHBondContact O-N 3.44Å; R60-V62 PolarHBondContact O-N 3.09Å; V62-D64 PolarHBondContact O-N 3.35Å; V62-V85 WeakPolarHBondContact CG2-O 3.27Å
63	L	84.7	Confident	84.1	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	30%	0.297	C	S	.	.			trans	-75.6	111.6	178.8	-57.1	-176.3	0	0	0	109.5	N59 R60 F65 L84 I136 F237	N59-L63 WeakPolarHBondContact O-CG 3.12Å; R60-L63 HydrophobicContact CG-CD1 4.44Å; R60-L63 PolarHBondContact O-N 2.65Å; L63-F65 HydrophobicContact CB-CE2 3.98Å; L63-F65 HydrophobicContact CB-CZ 4.09Å; L63-F65 HydrophobicContact CD1-CE2 4.38Å; L63-F65 HydrophobicContact CD1-CZ 4.25Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD2-CB 4.45Å; L63-L84 HydrophobicContact CD2-CD2 3.92Å; L63-I136 HydrophobicContact CD1-CD1 4.12Å; L63-I136 HydrophobicContact CD1-CG1 4.02Å; L63-I136 HydrophobicContact CD1-CG2 4.09Å; L63-F237 HydrophobicContact CB-CD2 4.15Å; L63-F237 HydrophobicContact CB-CE2 4.14Å; L63-F237 HydrophobicContact CD1-CE2 3.95Å
64	D	83.1	Confident	84.3	Confident	38 Å²	38	53.4 Å²	53.4	20%	0.203	29%	0.285	C	S	.	.			trans	-122.1	118.6	172.8	-155.5	-45.1	0	0	0	108.5	V62 D66 F67 Y89 K238	V62-D64 PolarHBondContact O-N 3.35Å; D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 PolarHBondContact OD1-N 2.63Å; D64-F67 HydrophobicContact CB-CD2 4.24Å; D64-F67 HydrophobicContact CB-CE2 4.25Å; D64-Y89 PolarHBondContact O-OH 3.3Å; D64-K238 IonicContact OD2-NZ 2.69Å; D64-K238 PolarHBondContact OD2-NZ 2.78Å
65	F	84.3	Confident	84.6	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.026	30%	0.299	C	S	.	.			trans	-109.6	15.2	-179.2	-59.9	-59.3	0	0	0	112.1	L63 A82 L84 Y89 L112 L114 I136 V139 L140 K230 F237	L63-F65 HydrophobicContact CB-CE2 3.98Å; L63-F65 HydrophobicContact CB-CZ 4.09Å; L63-F65 HydrophobicContact CD1-CE2 4.38Å; L63-F65 HydrophobicContact CD1-CZ 4.25Å; F65-A82 HydrophobicContact CE1-CB 3.96Å; F65-L84 HydrophobicContact CZ-CD2 4.48Å; F65-Y89 WeakPolarHBondContact CA-OH 3.06Å; F65-L112 HydrophobicContact CE1-CD2 4.45Å; F65-L112 HydrophobicContact CZ-CD2 4.22Å; F65-L114 HydrophobicContact CD1-CD2 4.34Å; F65-L114 HydrophobicContact CE1-CD2 4.32Å; F65-I136 HydrophobicContact CE2-CG2 3.77Å; F65-I136 HydrophobicContact CZ-CG2 3.67Å; F65-V139 HydrophobicContact CD2-CB 4.31Å; F65-V139 HydrophobicContact CD2-CG1 3.87Å; F65-L140 HydrophobicContact CB-CD1 3.86Å; F65-L140 HydrophobicContact CD1-CB 4.41Å; F65-L140 HydrophobicContact CD1-CD1 3.78Å; F65-L140 HydrophobicContact CD2-CB 4.06Å; F65-L140 HydrophobicContact CE2-CB 4.36Å; F65-L140 HydrophobicContact CG-CB 4.08Å; F65-L140 HydrophobicContact CG-CD1 3.87Å; F65-K230 PolarHBondContact O-NZ 3.24Å; F65-F237 HydrophobicContact CE2-CE2 4.22Å
66	D	82.4	Confident	84.9	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.107	30%	0.301	C	S	.	.	S	Bend	trans	-90.8	-3	-178.8	-66.8	-17.5	0	0	0	114.9	D64 K230 S242	D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 PolarHBondContact OD1-N 2.63Å; D66-K230 WeakPolarHBondContact OD1-CD 3.27Å; D66-K230 WeakPolarHBondContact OD1-CE 3.45Å; D66-K230 IonicContact OD1-NZ 2.89Å; D66-K230 PolarHBondContact OD1-NZ 3.49Å; D66-S242 PolarHBondContact OD2-N 3.39Å
67	F	81.6	Confident	84.9	Confident	88 Å²	88	53.1 Å²	53.1	39%	0.386	29%	0.286	S	S	.	.	S	Bend	trans	-102.1	165.1	-179.9	-63.6	-79.4	0	0	0	112.5	D64 K69 H244	D64-F67 HydrophobicContact CB-CD2 4.24Å; D64-F67 HydrophobicContact CB-CE2 4.25Å; F67-K69 PolarHBondContact O-N 3.37Å; F67-H244 HydrophobicContact CE1-CB 4.49Å
68	E	80.8	Confident	84.9	Confident	85 Å²	85	55.7 Å²	55.7	40%	0.397	30%	0.297	S	S	.	.			trans	-60.8	132.8	-178.8	-165.6	166.9	-153.8	0	0	111.6	L70 H77 Y89 E245	E68-L70 HydrophobicContact CB-CD2 4.16Å; E68-L70 HydrophobicContact CB-CG 4.39Å; E68-L70 HydrophobicContact CG-CD2 3.99Å; E68-L70 HydrophobicContact CG-CG 4.4Å; E68-L70 PolarHBondContact O-N 3.01Å; E68-L70 WeakPolarHBondContact OE2-CD2 3.5Å; E68-H77 IonicContact OE1-CE1 3.74Å; E68-Y89 WeakPolarHBondContact O-CD2 3.46Å; E68-Y89 WeakPolarHBondContact O-CE2 3.22Å; E68-E245 WeakPolarHBondContact CA-OE1 3.42Å
69	K	85.8	Confident	84.9	Confident	53 Å²	53	59.4 Å²	59.4	23%	0.23	32%	0.317	C	S	.	.			trans	-78.3	67.3	-176.1	-57	173.5	-175.8	171.6	0	110.5	F67 H77 L114	F67-K69 PolarHBondContact O-N 3.37Å; K69-H77 PolarHBondContact O-ND1 2.98Å; K69-L114 HydrophobicContact CB-CD1 3.9Å; K69-L114 HydrophobicContact CD-CB 4.34Å; K69-L114 HydrophobicContact CG-CD1 4.01Å
70	L	86.6	Confident	85.3	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.194	30%	0.302	C	S	.	.			trans	-122.6	154.8	177.3	59.7	79.2	0	0	0	111	E68 L75 S76 Y89	E68-L70 HydrophobicContact CB-CD2 4.16Å; E68-L70 HydrophobicContact CB-CG 4.39Å; E68-L70 HydrophobicContact CG-CD2 3.99Å; E68-L70 HydrophobicContact CG-CG 4.4Å; E68-L70 PolarHBondContact O-N 3.01Å; E68-L70 WeakPolarHBondContact OE2-CD2 3.5Å; L70-L75 HydrophobicContact CD1-CD2 3.84Å; L70-S76 WeakPolarHBondContact CA-O 3.06Å; L70-Y89 WeakPolarHBondContact O-CB 3.06Å
71	C	87.1	Confident	85.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.			trans	-71.4	131.2	173.7	177.4	0	0	0	0	111	I73 S74 L75 S76 Y89 Q91	C71-I73 PolarHBondContact O-N 3.32Å; C71-I73 PolarHBondContact SG-N 3.39Å; C71-I73 VanDerWaalsContact SG-N 3.37Å; C71-S74 VanDerWaalsContact CB-OG 3.28Å; C71-S74 WeakPolarHBondContact CB-OG 3.38Å; C71-L75 WeakPolarHBondContact O-CA 3.23Å; C71-L75 PolarHBondContact O-N 3.42Å; C71-S76 PolarHBondContact N-O 3.23Å; C71-Y89 WeakPolarHBondContact CA-O 3.46Å; C71-Q91 HydrophobicContact CB-CB 3.71Å; C71-Q91 PolarHBondContact SG-N 3.09Å
72	S	87.9	Confident	86	Confident	69 Å²	69	51.2 Å²	51.2	48%	0.483	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.6	177.8	-51.4	0	0	0	0	114.5	Y89	S72-Y89 PolarHBondContact N-O 3.35Å; S72-Y89 PolarHBondContact OG-O 2.96Å
73	I	87.6	Confident	86.4	Confident	101 Å²	101	48.4 Å²	48.4	52%	0.518	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-57.4	179.3	-57.1	177.1	0	0	0	110.4	C71 F90 H98	C71-I73 PolarHBondContact O-N 3.32Å; C71-I73 PolarHBondContact SG-N 3.39Å; C71-I73 VanDerWaalsContact SG-N 3.37Å; I73-F90 HydrophobicContact CD1-CD1 4.07Å; I73-F90 HydrophobicContact CD1-CE1 4.03Å; I73-F90 HydrophobicContact CG1-CD1 4.49Å; I73-F90 HydrophobicContact CG1-CE1 4.43Å; I73-H98 HydrophobicContact CD1-CB 4.13Å
74	S	86.2	Confident	86.6	Confident	46 Å²	46	48.1 Å²	48.1	32%	0.322	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.5	-174.7	65	0	0	0	0	114.5	C71 S76 Q91	C71-S74 VanDerWaalsContact CB-OG 3.28Å; C71-S74 WeakPolarHBondContact CB-OG 3.38Å; S74-S76 PolarHBondContact O-N 3.31Å; S74-S76 PolarHBondContact OG-N 2.96Å; S74-Q91 PolarHBondContact OG-OE1 3.3Å
75	L	88	Confident	86.9	Confident	117 Å²	117	47.8 Å²	47.8	61%	0.613	25%	0.251	S	S	*	.			trans	55.4	14.9	-172.4	-54.7	176.8	0	0	0	114.2	L70 C71	L70-L75 HydrophobicContact CD1-CD2 3.84Å; C71-L75 WeakPolarHBondContact O-CA 3.23Å; C71-L75 PolarHBondContact O-N 3.42Å
76	S	86.7	Confident	87.1	Confident	29 Å²	29	49.1 Å²	49.1	20%	0.203	26%	0.261	C	S	.	.			trans	-81.1	143.1	179.7	-169.5	0	0	0	0	111.7	L70 C71 S74 I78 V80 Q91	L70-S76 WeakPolarHBondContact CA-O 3.06Å; C71-S76 PolarHBondContact N-O 3.23Å; S74-S76 PolarHBondContact O-N 3.31Å; S74-S76 PolarHBondContact OG-N 2.96Å; S76-I78 PolarHBondContact OG-N 3.31Å; S76-V80 VanDerWaalsContact O-CG2 3.25Å; S76-V80 WeakPolarHBondContact O-CG2 3.42Å; S76-Q91 VanDerWaalsContact CB-CD 3.49Å; S76-Q91 VanDerWaalsContact CB-OE1 3.28Å; S76-Q91 PolarHBondContact OG-NE2 3Å; S76-Q91 VanDerWaalsContact OG-NE2 3.09Å
77	H	83.9	Confident	87.3	Confident	114 Å²	114	48.9 Å²	48.9	53%	0.528	26%	0.263	S	S	.	.			trans	-89.7	-3.4	173.4	-57.6	-79.3	0	0	0	113.5	E68 K69	E68-H77 IonicContact OE1-CE1 3.74Å; K69-H77 PolarHBondContact O-ND1 2.98Å
78	I	86.1	Confident	87.7	Confident	112 Å²	112	50.5 Å²	50.5	57%	0.574	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	123	-172.7	-56.9	171.3	0	0	0	109.6	S76 Q91	S76-I78 PolarHBondContact OG-N 3.31Å; I78-Q91 WeakPolarHBondContact O-CG 3.22Å; I78-Q91 PolarHBondContact O-NE2 3.01Å
79	N	86.4	Confident	88.3	Confident	89 Å²	89	47 Å²	47	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	55.7	177.2	-69.3	-45.4	0	0	0	112.9	Y81 G92	N79-Y81 HydrophobicContact CB-CE2 4.26Å; N79-Y81 WeakPolarHBondContact O-CD2 3.3Å; N79-Y81 VanDerWaalsContact O-CE2 3.25Å; N79-Y81 WeakPolarHBondContact O-CE2 3.39Å; N79-G92 PolarHBondContact O-N 2.94Å
80	V	90.8	Very high	88.6	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.5	178.2	-172.5	0	0	0	0	110.6	S76 Y89 F90 L114	S76-V80 VanDerWaalsContact O-CG2 3.25Å; S76-V80 WeakPolarHBondContact O-CG2 3.42Å; V80-Y89 HydrophobicContact CG1-CG 4.33Å; V80-F90 CarbonylContact C-O 3.52Å; V80-F90 WeakPolarHBondContact CA-O 3.5Å; V80-L114 HydrophobicContact CB-CD1 4.15Å; V80-L114 HydrophobicContact CG1-CD1 3.71Å; V80-L114 PolarHBondContact O-N 3.12Å
81	Y	91.1	Very high	88.9	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131	178.7	-65.4	-98.8	0	0	0	109.7	N79 Y89 F90 G92 R93 F111 L112 N113 Y120	N79-Y81 HydrophobicContact CB-CE2 4.26Å; N79-Y81 WeakPolarHBondContact O-CD2 3.3Å; N79-Y81 VanDerWaalsContact O-CE2 3.25Å; N79-Y81 WeakPolarHBondContact O-CE2 3.39Å; Y81-Y89 CarbonylContact O-C 3.53Å; Y81-Y89 WeakPolarHBondContact O-CA 3.36Å; Y81-F90 PolarHBondContact N-O 3.38Å; Y81-F90 PolarHBondContact O-N 3.46Å; Y81-G92 WeakPolarHBondContact CD2-O 3.41Å; Y81-R93 HydrophobicContact CE2-CB 4.24Å; Y81-R93 VanDerWaalsContact OH-CZ 3.28Å; Y81-R93 PolarHBondContact OH-NE 2.85Å; Y81-R93 VanDerWaalsContact OH-NE 3.08Å; Y81-R93 PolarHBondContact OH-NH2 2.9Å; Y81-F111 HydrophobicContact CD1-CB 4.34Å; Y81-L112 CarbonylContact C-O 3.54Å; Y81-L112 WeakPolarHBondContact CA-O 3.32Å; Y81-N113 HydrophobicContact CD1-CB 3.84Å; Y81-N113 HydrophobicContact CE1-CB 3.59Å; Y81-N113 WeakPolarHBondContact CE1-ND2 3.44Å; Y81-N113 VanDerWaalsContact CZ-ND2 3.27Å; Y81-N113 PolarHBondContact OH-ND2 3.25Å; Y81-N113 VanDerWaalsContact OH-ND2 3.1Å; Y81-Y120 HydrophobicContact CD1-CD2 4.34Å; Y81-Y120 AromaticContact CE1-CD2 3.73Å; Y81-Y120 HydrophobicContact CE1-CD2 3.73Å; Y81-Y120 HydrophobicContact CE1-CE2 4.07Å; Y81-Y120 HydrophobicContact CE1-CG 4.48Å
82	A	91.4	Very high	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.6	170.2	0	0	0	0	0	110.1	F65 L84 Y89 F111 L112 L114	F65-A82 HydrophobicContact CE1-CB 3.96Å; A82-L84 PolarHBondContact O-N 3.01Å; A82-Y89 HydrophobicContact CB-CD1 3.74Å; A82-Y89 HydrophobicContact CB-CE1 3.83Å; A82-F111 CarbonylContact O-C 3.44Å; A82-F111 VanDerWaalsContact O-CA 3.28Å; A82-F111 WeakPolarHBondContact O-CA 2.99Å; A82-L112 PolarHBondContact N-O 2.84Å; A82-L112 PolarHBondContact O-N 3.48Å; A82-L114 HydrophobicContact CB-CD2 3.76Å; A82-L114 HydrophobicContact CB-CG 4.29Å
83	C	92.3	Very high	88.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.3	170.6	176.9	0	0	0	0	109.2	V85 C86 G87 K88 F90 H108 F111	C83-V85 PolarHBondContact O-N 3.48Å; C83-C86 PolarHBondContact SG-SG 2.75Å; C83-G87 VanDerWaalsContact O-CA 3.26Å; C83-G87 WeakPolarHBondContact O-CA 3.31Å; C83-G87 PolarHBondContact O-N 3.42Å; C83-K88 PolarHBondContact N-O 2.99Å; C83-F90 HydrophobicContact CB-CD2 4.2Å; C83-F90 HydrophobicContact CB-CE2 4.03Å; C83-H108 VanDerWaalsContact SG-CB 3.56Å; C83-F111 HydrophobicContact CB-CD1 4.04Å; C83-F111 HydrophobicContact CB-CE1 3.77Å
84	L	89.2	Confident	88.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.9	-175.7	-62.3	-172.6	0	0	0	114.1	I58 N59 L63 F65 A82 V110 L112 F119 I136	I58-L84 HydrophobicContact CB-CB 4.49Å; I58-L84 HydrophobicContact CD1-CD1 4Å; I58-L84 HydrophobicContact CG1-CB 4Å; I58-L84 HydrophobicContact CG1-CD1 4.31Å; I58-L84 HydrophobicContact CG2-CB 4.04Å; N59-L84 PolarHBondContact N-O 3.48Å; N59-L84 VanDerWaalsContact N-O 3.13Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD2-CB 4.45Å; L63-L84 HydrophobicContact CD2-CD2 3.92Å; F65-L84 HydrophobicContact CZ-CD2 4.48Å; A82-L84 PolarHBondContact O-N 3.01Å; L84-V110 HydrophobicContact CB-CB 4.39Å; L84-V110 HydrophobicContact CB-CG1 4.35Å; L84-V110 HydrophobicContact CD1-CG1 3.72Å; L84-V110 HydrophobicContact CG-CG1 4.3Å; L84-V110 PolarHBondContact N-O 3.12Å; L84-L112 HydrophobicContact CD2-CB 3.95Å; L84-L112 HydrophobicContact CD2-CD2 4.49Å; L84-L112 HydrophobicContact CG-CB 4.35Å; L84-F119 HydrophobicContact CD1-CD1 3.76Å; L84-F119 HydrophobicContact CD1-CE1 3.75Å; L84-I136 HydrophobicContact CD1-CD1 4.07Å; L84-I136 HydrophobicContact CD2-CG2 4.02Å
85	V	89.1	Confident	88.3	Confident	30 Å²	30	49.3 Å²	49.3	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-39.4	178	-172.1	0	0	0	0	111.2	V62 C83 H108	V62-V85 WeakPolarHBondContact CG2-O 3.27Å; C83-V85 PolarHBondContact O-N 3.48Å; V85-H108 HydrophobicContact CB-CB 4.18Å; V85-H108 WeakPolarHBondContact CG1-CD2 3.29Å; V85-H108 HydrophobicContact CG2-CB 4.11Å
86	C	88.3	Confident	88.2	Confident	34 Å²	34	53.8 Å²	53.8	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-6.9	-175.3	73.8	0	0	0	0	115.2	C83 K88 H102	C83-C86 PolarHBondContact SG-SG 2.75Å; C86-K88 PolarHBondContact O-N 2.9Å; C86-H102 PolarHBondContact SG-NE2 3.08Å; C86-H102 VanDerWaalsContact SG-NE2 3.41Å
87	G	86.5	Confident	88.3	Confident	15 Å²	15	53.2 Å²	53.2	16%	0.155	27%	0.271	C	S	.	.			trans	75.5	-4	-179.8	0	0	0	0	0	115.7	C83 Y89	C83-G87 VanDerWaalsContact O-CA 3.26Å; C83-G87 WeakPolarHBondContact O-CA 3.31Å; C83-G87 PolarHBondContact O-N 3.42Å; G87-Y89 WeakPolarHBondContact O-CE1 3.41Å
88	K	90	Very high	88.5	Confident	122 Å²	122	50.8 Å²	50.8	53%	0.53	26%	0.259	S	S	.	.			trans	-78.7	154.7	-178.8	-63	-178.6	-177.5	178.9	0	112.7	C83 C86 F90	C83-K88 PolarHBondContact N-O 2.99Å; C86-K88 PolarHBondContact O-N 2.9Å; K88-F90 HydrophobicContact CB-CE2 3.58Å; K88-F90 HydrophobicContact CB-CZ 3.69Å; K88-F90 HydrophobicContact CD-CZ 4.25Å
89	Y	93.2	Very high	88.7	Confident	13 Å²	13	45.4 Å²	45.4	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.8	-176.1	-61.8	-10.6	0	0	0	111.9	D64 F65 E68 L70 C71 S72 V80 Y81 A82 G87 L114	D64-Y89 PolarHBondContact O-OH 3.3Å; F65-Y89 WeakPolarHBondContact CA-OH 3.06Å; E68-Y89 WeakPolarHBondContact O-CD2 3.46Å; E68-Y89 WeakPolarHBondContact O-CE2 3.22Å; L70-Y89 WeakPolarHBondContact O-CB 3.06Å; C71-Y89 WeakPolarHBondContact CA-O 3.46Å; S72-Y89 PolarHBondContact N-O 3.35Å; S72-Y89 PolarHBondContact OG-O 2.96Å; V80-Y89 HydrophobicContact CG1-CG 4.33Å; Y81-Y89 CarbonylContact O-C 3.53Å; Y81-Y89 WeakPolarHBondContact O-CA 3.36Å; A82-Y89 HydrophobicContact CB-CD1 3.74Å; A82-Y89 HydrophobicContact CB-CE1 3.83Å; G87-Y89 WeakPolarHBondContact O-CE1 3.41Å; Y89-L114 HydrophobicContact CD1-CD1 4.18Å; Y89-L114 HydrophobicContact CD2-CD1 4.12Å; Y89-L114 HydrophobicContact CE1-CD1 4.32Å; Y89-L114 HydrophobicContact CE2-CD1 4.22Å; Y89-L114 HydrophobicContact CG-CD1 4.1Å
90	F	92.3	Very high	88.9	Confident	8 Å²	8	44 Å²	44	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.3	-176.5	-60.1	-76.9	0	0	0	112.1	I73 V80 Y81 C83 K88 H98 A99 H102 F111	I73-F90 HydrophobicContact CD1-CD1 4.07Å; I73-F90 HydrophobicContact CD1-CE1 4.03Å; I73-F90 HydrophobicContact CG1-CD1 4.49Å; I73-F90 HydrophobicContact CG1-CE1 4.43Å; V80-F90 CarbonylContact C-O 3.52Å; V80-F90 WeakPolarHBondContact CA-O 3.5Å; Y81-F90 PolarHBondContact N-O 3.38Å; Y81-F90 PolarHBondContact O-N 3.46Å; C83-F90 HydrophobicContact CB-CD2 4.2Å; C83-F90 HydrophobicContact CB-CE2 4.03Å; K88-F90 HydrophobicContact CB-CE2 3.58Å; K88-F90 HydrophobicContact CB-CZ 3.69Å; K88-F90 HydrophobicContact CD-CZ 4.25Å; F90-H98 HydrophobicContact CB-CB 4.29Å; F90-H98 HydrophobicContact CD1-CB 4.3Å; F90-A99 HydrophobicContact CB-CB 3.72Å; F90-H102 HydrophobicContact CD1-CB 4.25Å; F90-H102 HydrophobicContact CD2-CB 4.24Å; F90-H102 AromaticContact CD2-CD2 3.8Å; F90-H102 AromaticContact CD2-CG 3.96Å; F90-H102 HydrophobicContact CE1-CB 4.17Å; F90-H102 AromaticContact CE1-CG 3.95Å; F90-H102 AromaticContact CE1-ND1 3.87Å; F90-H102 HydrophobicContact CE2-CB 4.16Å; F90-H102 AromaticContact CE2-CD2 3.23Å; F90-H102 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H102 AromaticContact CE2-CE1 3.7Å; F90-H102 AromaticContact CE2-CG 3.43Å; F90-H102 VanDerWaalsContact CE2-CG 3.43Å; F90-H102 AromaticContact CE2-ND1 3.7Å; F90-H102 AromaticContact CE2-NE2 3.4Å; F90-H102 WeakPolarHBondContact CE2-NE2 3.21Å; F90-H102 HydrophobicContact CG-CB 4.28Å; F90-H102 HydrophobicContact CZ-CB 4.13Å; F90-H102 AromaticContact CZ-CD2 3.69Å; F90-H102 AromaticContact CZ-CE1 3.46Å; F90-H102 VanDerWaalsContact CZ-CE1 3.46Å; F90-H102 WeakPolarHBondContact CZ-CE1 3.35Å; F90-H102 AromaticContact CZ-CG 3.43Å; F90-H102 VanDerWaalsContact CZ-CG 3.43Å; F90-H102 AromaticContact CZ-ND1 3.27Å; F90-H102 VanDerWaalsContact CZ-ND1 3.27Å; F90-H102 WeakPolarHBondContact CZ-ND1 3.46Å; F90-H102 AromaticContact CZ-NE2 3.69Å; F90-F111 HydrophobicContact CD2-CE1 4.19Å
91	Q	93.1	Very high	88.9	Confident	49 Å²	49	47 Å²	47	23%	0.229	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.7	179.6	-178.4	172.1	24.3	0	0	112	C71 S74 S76 I78 S97 H98 A99	C71-Q91 HydrophobicContact CB-CB 3.71Å; C71-Q91 PolarHBondContact SG-N 3.09Å; S74-Q91 PolarHBondContact OG-OE1 3.3Å; S76-Q91 VanDerWaalsContact CB-CD 3.49Å; S76-Q91 VanDerWaalsContact CB-OE1 3.28Å; S76-Q91 PolarHBondContact OG-NE2 3Å; S76-Q91 VanDerWaalsContact OG-NE2 3.09Å; I78-Q91 WeakPolarHBondContact O-CG 3.22Å; I78-Q91 PolarHBondContact O-NE2 3.01Å; Q91-S97 WeakPolarHBondContact O-CB 3.25Å; Q91-H98 PolarHBondContact O-N 2.94Å; Q91-H98 VanDerWaalsContact O-N 3.09Å; Q91-A99 PolarHBondContact O-N 3.05Å
92	G	87.4	Confident	88.9	Confident	15 Å²	15	47.5 Å²	47.5	16%	0.155	24%	0.241	C	C	.	.			trans	79.3	167.5	165.1	0	0	0	0	0	114.2	N79 Y81 S97 A99	N79-G92 PolarHBondContact O-N 2.94Å; Y81-G92 WeakPolarHBondContact CD2-O 3.41Å; G92-S97 VanDerWaalsContact C-CB 3.49Å; G92-S97 VanDerWaalsContact C-OG 3.25Å; G92-S97 PolarHBondContact O-OG 3.13Å; G92-A99 WeakPolarHBondContact O-CB 3.38Å
93	R	84.8	Confident	88.9	Confident	87 Å²	87	47.5 Å²	47.5	33%	0.328	24%	0.241	S	C	.	.	S	Bend	trans	-120	-13.5	176.4	79.2	177.4	88.3	-164.4	1.3	114.2	Y81 S97 Y120 L122	Y81-R93 HydrophobicContact CE2-CB 4.24Å; Y81-R93 VanDerWaalsContact OH-CZ 3.28Å; Y81-R93 PolarHBondContact OH-NE 2.85Å; Y81-R93 VanDerWaalsContact OH-NE 3.08Å; Y81-R93 PolarHBondContact OH-NH2 2.9Å; R93-S97 VanDerWaalsContact C-OG 3.3Å; R93-S97 PolarHBondContact N-OG 2.82Å; R93-Y120 PolarHBondContact NH1-OH 2.88Å; R93-Y120 VanDerWaalsContact NH1-OH 3.09Å; R93-L122 HydrophobicContact CB-CD2 4.47Å
94	G	84.9	Confident	88.8	Confident	40 Å²	40	51.5 Å²	51.5	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	-71.8	165.8	-174.4	0	0	0	0	0	112.3	K96 S97 Y100	G94-K96 PolarHBondContact O-N 2.81Å; G94-S97 PolarHBondContact N-OG 3.27Å; G94-S97 WeakPolarHBondContact O-CB 3.17Å; G94-S97 PolarHBondContact O-N 3.45Å; G94-S97 PolarHBondContact O-OG 3.05Å; G94-Y100 WeakPolarHBondContact O-CB 3.41Å
95	Q	79.4	Confident	88.9	Confident	155 Å²	155	57.9 Å²	57.9	72%	0.724	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.7	-175.7	-67.7	174.9	-3.2	0	0	114.6	Y100	Q95-Y100 HydrophobicContact CB-CE1 4.38Å; Q95-Y100 HydrophobicContact CG-CE2 4.1Å; Q95-Y100 WeakPolarHBondContact O-CD1 3.42Å
96	K	84.4	Confident	88.8	Confident	210 Å²	210	61.4 Å²	61.4	91%	0.913	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	8.4	176.3	-61.8	-175.4	179.7	-178.8	0	113.8	G94	G94-K96 PolarHBondContact O-N 2.81Å
97	S	89.1	Confident	88.8	Confident	17 Å²	17	63.6 Å²	63.6	12%	0.119	32%	0.324	C	S	.	.	S	Bend	trans	-86.2	155.5	-176.8	74.5	0	0	0	0	111.8	Q91 G92 R93 G94 A99 Y100 T101	Q91-S97 WeakPolarHBondContact O-CB 3.25Å; G92-S97 VanDerWaalsContact C-CB 3.49Å; G92-S97 VanDerWaalsContact C-OG 3.25Å; G92-S97 PolarHBondContact O-OG 3.13Å; R93-S97 VanDerWaalsContact C-OG 3.3Å; R93-S97 PolarHBondContact N-OG 2.82Å; G94-S97 PolarHBondContact N-OG 3.27Å; G94-S97 WeakPolarHBondContact O-CB 3.17Å; G94-S97 PolarHBondContact O-N 3.45Å; G94-S97 PolarHBondContact O-OG 3.05Å; S97-A99 VanDerWaalsContact C-N 3.28Å; S97-A99 PolarHBondContact O-N 2.92Å; S97-Y100 PolarHBondContact O-N 2.89Å; S97-Y100 WeakPolarHBondContact OG-CB 3.34Å; S97-Y100 PolarHBondContact OG-N 2.88Å; S97-T101 PolarHBondContact O-N 3.19Å; S97-T101 PolarHBondContact O-OG1 2.86Å
98	H	89.6	Confident	89.1	Confident	63 Å²	63	64.5 Å²	64.5	29%	0.292	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-34	-179.8	-66	-51.8	0	0	0	112.6	I73 F90 Q91 H102	I73-H98 HydrophobicContact CD1-CB 4.13Å; F90-H98 HydrophobicContact CB-CB 4.29Å; F90-H98 HydrophobicContact CD1-CB 4.3Å; Q91-H98 PolarHBondContact O-N 2.94Å; Q91-H98 VanDerWaalsContact O-N 3.09Å; H98-H102 WeakPolarHBondContact O-CB 3.21Å; H98-H102 PolarHBondContact O-N 2.81Å
99	A	89.8	Confident	89	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.6	-39.9	177.5	0	0	0	0	0	111.5	F90 Q91 G92 S97 H102 S103 F111 L122	F90-A99 HydrophobicContact CB-CB 3.72Å; Q91-A99 PolarHBondContact O-N 3.05Å; G92-A99 WeakPolarHBondContact O-CB 3.38Å; S97-A99 VanDerWaalsContact C-N 3.28Å; S97-A99 PolarHBondContact O-N 2.92Å; A99-H102 PolarHBondContact O-N 3.09Å; A99-S103 PolarHBondContact O-N 2.79Å; A99-F111 HydrophobicContact CB-CD1 4.15Å; A99-F111 HydrophobicContact CB-CE1 3.99Å; A99-F111 WeakPolarHBondContact O-CZ 3.26Å; A99-L122 HydrophobicContact CB-CD1 3.83Å
100	Y	91.2	Very high	88.9	Confident	58 Å²	58	59.5 Å²	59.5	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-49.6	176.2	-172.5	-82.7	0	0	0	111.2	G94 Q95 S97 H102 S103 V104 P123	G94-Y100 WeakPolarHBondContact O-CB 3.41Å; Q95-Y100 HydrophobicContact CB-CE1 4.38Å; Q95-Y100 HydrophobicContact CG-CE2 4.1Å; Q95-Y100 WeakPolarHBondContact O-CD1 3.42Å; S97-Y100 PolarHBondContact O-N 2.89Å; S97-Y100 WeakPolarHBondContact OG-CB 3.34Å; S97-Y100 PolarHBondContact OG-N 2.88Å; Y100-H102 VanDerWaalsContact C-N 3.28Å; Y100-H102 PolarHBondContact O-N 2.92Å; Y100-S103 WeakPolarHBondContact O-CB 3.22Å; Y100-S103 PolarHBondContact O-N 2.93Å; Y100-S103 VanDerWaalsContact O-N 3.11Å; Y100-S103 PolarHBondContact O-OG 2.86Å; Y100-V104 HydrophobicContact CD1-CG2 4.35Å; Y100-V104 HydrophobicContact CE1-CG2 4.01Å; Y100-V104 PolarHBondContact O-N 2.88Å; Y100-P123 HydrophobicContact CD2-CB 4.05Å; Y100-P123 HydrophobicContact CE1-CB 4.33Å; Y100-P123 HydrophobicContact CE2-CB 3.39Å; Y100-P123 WeakPolarHBondContact CE2-O 3.29Å
101	T	90.6	Very high	88.9	Confident	70 Å²	70	59.1 Å²	59.1	43%	0.429	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-41.3	176.1	-52.2	0	0	0	0	111.5	S97 S103 V104 Q105	S97-T101 PolarHBondContact O-N 3.19Å; S97-T101 PolarHBondContact O-OG1 2.86Å; T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.2Å; T101-V104 PolarHBondContact O-N 2.9Å; T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.31Å
102	H	90.8	Very high	88.8	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-40	176.4	-175	69.9	0	0	0	112.3	C86 F90 H98 A99 Y100 V104 Q105 F106 H108	C86-H102 PolarHBondContact SG-NE2 3.08Å; C86-H102 VanDerWaalsContact SG-NE2 3.41Å; F90-H102 HydrophobicContact CD1-CB 4.25Å; F90-H102 HydrophobicContact CD2-CB 4.24Å; F90-H102 AromaticContact CD2-CD2 3.8Å; F90-H102 AromaticContact CD2-CG 3.96Å; F90-H102 HydrophobicContact CE1-CB 4.17Å; F90-H102 AromaticContact CE1-CG 3.95Å; F90-H102 AromaticContact CE1-ND1 3.87Å; F90-H102 HydrophobicContact CE2-CB 4.16Å; F90-H102 AromaticContact CE2-CD2 3.23Å; F90-H102 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H102 AromaticContact CE2-CE1 3.7Å; F90-H102 AromaticContact CE2-CG 3.43Å; F90-H102 VanDerWaalsContact CE2-CG 3.43Å; F90-H102 AromaticContact CE2-ND1 3.7Å; F90-H102 AromaticContact CE2-NE2 3.4Å; F90-H102 WeakPolarHBondContact CE2-NE2 3.21Å; F90-H102 HydrophobicContact CG-CB 4.28Å; F90-H102 HydrophobicContact CZ-CB 4.13Å; F90-H102 AromaticContact CZ-CD2 3.69Å; F90-H102 AromaticContact CZ-CE1 3.46Å; F90-H102 VanDerWaalsContact CZ-CE1 3.46Å; F90-H102 WeakPolarHBondContact CZ-CE1 3.35Å; F90-H102 AromaticContact CZ-CG 3.43Å; F90-H102 VanDerWaalsContact CZ-CG 3.43Å; F90-H102 AromaticContact CZ-ND1 3.27Å; F90-H102 VanDerWaalsContact CZ-ND1 3.27Å; F90-H102 WeakPolarHBondContact CZ-ND1 3.46Å; F90-H102 AromaticContact CZ-NE2 3.69Å; H98-H102 WeakPolarHBondContact O-CB 3.21Å; H98-H102 PolarHBondContact O-N 2.81Å; A99-H102 PolarHBondContact O-N 3.09Å; Y100-H102 VanDerWaalsContact C-N 3.28Å; Y100-H102 PolarHBondContact O-N 2.92Å; H102-V104 PolarHBondContact O-N 3.45Å; H102-Q105 PolarHBondContact O-N 2.91Å; H102-F106 AromaticContact CE1-CD2 3.32Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.24Å; H102-F106 AromaticContact CE1-CE2 3.87Å; H102-F106 AromaticContact CE1-CG 3.71Å; H102-F106 AromaticContact ND1-CD2 3.08Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.49Å; H102-F106 AromaticContact ND1-CE2 3.49Å; H102-F106 WeakPolarHBondContact ND1-CE2 3.45Å; H102-F106 AromaticContact ND1-CG 3.93Å; H102-F106 PolarHBondContact O-N 2.8Å; H102-H108 AromaticContact CD2-ND1 3.85Å; H102-H108 AromaticContact CE1-ND1 3.6Å; H102-H108 AromaticContact NE2-CE1 3.85Å; H102-H108 AromaticContact NE2-CG 3.86Å; H102-H108 AromaticContact NE2-ND1 2.92Å; H102-H108 PolarHBondContact NE2-ND1 3.32Å
103	S	90.8	Very high	89	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-45.1	179.3	74.5	0	0	0	0	112.3	A99 Y100 T101 S107 H108	A99-S103 PolarHBondContact O-N 2.79Å; Y100-S103 WeakPolarHBondContact O-CB 3.22Å; Y100-S103 PolarHBondContact O-N 2.93Å; Y100-S103 VanDerWaalsContact O-N 3.11Å; Y100-S103 PolarHBondContact O-OG 2.86Å; T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.2Å; S103-S107 CarbonylContact O-C 3.54Å; S103-S107 WeakPolarHBondContact O-CA 3.32Å; S103-S107 PolarHBondContact O-N 3.25Å; S103-H108 WeakPolarHBondContact CA-O 3.3Å; S103-H108 VanDerWaalsContact CB-O 3.23Å; S103-H108 WeakPolarHBondContact CB-O 3.38Å; S103-H108 PolarHBondContact O-N 2.96Å
104	V	90.6	Very high	89.1	Confident	84 Å²	84	52.5 Å²	52.5	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-74.6	-40.6	179.9	-178.3	0	0	0	0	111.3	Y100 T101 H102 P123	Y100-V104 HydrophobicContact CD1-CG2 4.35Å; Y100-V104 HydrophobicContact CE1-CG2 4.01Å; Y100-V104 PolarHBondContact O-N 2.88Å; T101-V104 PolarHBondContact O-N 2.9Å; H102-V104 PolarHBondContact O-N 3.45Å; V104-P123 HydrophobicContact CG2-CB 3.95Å; V104-P123 HydrophobicContact CG2-CG 4.14Å
105	Q	90.8	Very high	89.1	Confident	134 Å²	134	58.5 Å²	58.5	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-69.5	-39.8	-176	-176.5	179.1	4.6	0	0	113.1	T101 H102	T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.31Å; H102-Q105 PolarHBondContact O-N 2.91Å
106	F	87.6	Confident	89.4	Confident	104 Å²	104	54.3 Å²	54.3	46%	0.456	27%	0.272	S	S	.	.	H	α-helix	trans	-108.8	2.8	-175.6	-65.6	-86.6	0	0	0	113	H102 H108	H102-F106 AromaticContact CE1-CD2 3.32Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.24Å; H102-F106 AromaticContact CE1-CE2 3.87Å; H102-F106 AromaticContact CE1-CG 3.71Å; H102-F106 AromaticContact ND1-CD2 3.08Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.49Å; H102-F106 AromaticContact ND1-CE2 3.49Å; H102-F106 WeakPolarHBondContact ND1-CE2 3.45Å; H102-F106 AromaticContact ND1-CG 3.93Å; H102-F106 PolarHBondContact O-N 2.8Å; F106-H108 PolarHBondContact O-CD2 3.18Å; F106-H108 VanDerWaalsContact O-CD2 3.23Å; F106-H108 PolarHBondContact O-N 3.49Å
107	S	88.9	Confident	89.6	Confident	80 Å²	80	46.9 Å²	46.9	56%	0.559	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	34.3	-173.3	-58.9	0	0	0	0	112.7	S103 H109	S103-S107 CarbonylContact O-C 3.54Å; S103-S107 WeakPolarHBondContact O-CA 3.32Å; S103-S107 PolarHBondContact O-N 3.25Å; S107-H109 VanDerWaalsContact C-CE1 3.49Å; S107-H109 PolarHBondContact O-CE1 2.85Å; S107-H109 PolarHBondContact O-ND1 2.84Å
108	H	91.3	Very high	89.6	Confident	34 Å²	34	50 Å²	50	16%	0.157	25%	0.254	C	S	.	.			trans	-97.1	102	177.1	-68.9	168.5	0	0	0	109.4	C83 V85 H102 S103 F106 F111	C83-H108 VanDerWaalsContact SG-CB 3.56Å; V85-H108 HydrophobicContact CB-CB 4.18Å; V85-H108 WeakPolarHBondContact CG1-CD2 3.29Å; V85-H108 HydrophobicContact CG2-CB 4.11Å; H102-H108 AromaticContact CD2-ND1 3.85Å; H102-H108 AromaticContact CE1-ND1 3.6Å; H102-H108 AromaticContact NE2-CE1 3.85Å; H102-H108 AromaticContact NE2-CG 3.86Å; H102-H108 AromaticContact NE2-ND1 2.92Å; H102-H108 PolarHBondContact NE2-ND1 3.32Å; S103-H108 WeakPolarHBondContact CA-O 3.3Å; S103-H108 VanDerWaalsContact CB-O 3.23Å; S103-H108 WeakPolarHBondContact CB-O 3.38Å; S103-H108 PolarHBondContact O-N 2.96Å; F106-H108 PolarHBondContact O-CD2 3.18Å; F106-H108 VanDerWaalsContact O-CD2 3.23Å; F106-H108 PolarHBondContact O-N 3.49Å; H108-F111 WeakPolarHBondContact O-CE2 3.48Å; H108-F111 WeakPolarHBondContact O-CZ 3.49Å
109	H	89.4	Confident	89.6	Confident	30 Å²	30	47.7 Å²	47.7	14%	0.139	24%	0.243	C	C	.	.			trans	-93.7	-16.5	-165.9	-59.7	97.2	0	0	0	114.4	Y54 S107 C121 L122	Y54-H109 HydrophobicContact CD1-CB 4.18Å; Y54-H109 AromaticContact CD1-ND1 3.7Å; Y54-H109 HydrophobicContact CD2-CB 3.69Å; Y54-H109 AromaticContact CE1-ND1 3.72Å; Y54-H109 HydrophobicContact CE2-CB 4.18Å; Y54-H109 HydrophobicContact CG-CB 3.68Å; S107-H109 VanDerWaalsContact C-CE1 3.49Å; S107-H109 PolarHBondContact O-CE1 2.85Å; S107-H109 PolarHBondContact O-ND1 2.84Å; H109-C121 CarbonylContact O-C 3.48Å; H109-C121 WeakPolarHBondContact O-CA 3.46Å; H109-L122 CarbonylContact C-O 3.58Å; H109-L122 WeakPolarHBondContact CA-O 3.37Å; H109-L122 WeakPolarHBondContact CB-O 3.45Å; H109-L122 PolarHBondContact CD2-O 2.82Å; H109-L122 VanDerWaalsContact CD2-O 3.31Å; H109-L122 PolarHBondContact O-N 2.91Å
110	V	90.4	Very high	89.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	-171.3	-166.8	0	0	0	0	112.1	Y54 I58 L84 I128	Y54-V110 WeakPolarHBondContact O-CG2 3.48Å; I58-V110 HydrophobicContact CD1-CG1 4.05Å; I58-V110 HydrophobicContact CG1-CB 4.3Å; I58-V110 HydrophobicContact CG1-CG1 4.27Å; I58-V110 HydrophobicContact CG1-CG2 4.36Å; L84-V110 HydrophobicContact CB-CB 4.39Å; L84-V110 HydrophobicContact CB-CG1 4.35Å; L84-V110 HydrophobicContact CD1-CG1 3.72Å; L84-V110 HydrophobicContact CG-CG1 4.3Å; L84-V110 PolarHBondContact N-O 3.12Å; V110-I128 HydrophobicContact CG1-CD1 3.8Å
111	F	91.7	Very high	89.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.4	-178.7	-64.7	-94.9	0	0	0	112.1	Y81 A82 C83 F90 A99 H108 F119 Y120 L122	Y81-F111 HydrophobicContact CD1-CB 4.34Å; A82-F111 CarbonylContact O-C 3.44Å; A82-F111 VanDerWaalsContact O-CA 3.28Å; A82-F111 WeakPolarHBondContact O-CA 2.99Å; C83-F111 HydrophobicContact CB-CD1 4.04Å; C83-F111 HydrophobicContact CB-CE1 3.77Å; F90-F111 HydrophobicContact CD2-CE1 4.19Å; A99-F111 HydrophobicContact CB-CD1 4.15Å; A99-F111 HydrophobicContact CB-CE1 3.99Å; A99-F111 WeakPolarHBondContact O-CZ 3.26Å; H108-F111 WeakPolarHBondContact O-CE2 3.48Å; H108-F111 WeakPolarHBondContact O-CZ 3.49Å; F111-F119 CarbonylContact O-C 3.57Å; F111-F119 WeakPolarHBondContact O-CA 3.49Å; F111-Y120 PolarHBondContact N-O 2.9Å; F111-Y120 PolarHBondContact O-N 3.05Å; F111-L122 HydrophobicContact CD2-CB 3.82Å; F111-L122 HydrophobicContact CD2-CD1 3.74Å; F111-L122 HydrophobicContact CD2-CG 3.94Å; F111-L122 HydrophobicContact CE2-CB 3.75Å; F111-L122 HydrophobicContact CE2-CD1 4.02Å; F111-L122 HydrophobicContact CE2-CG 4.29Å; F111-L122 HydrophobicContact CG-CD1 4.08Å
112	L	91.8	Very high	89.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	173.4	170.3	59.8	0	0	0	109.8	F65 Y81 A82 L84 L114 F119 I136 L140	F65-L112 HydrophobicContact CE1-CD2 4.45Å; F65-L112 HydrophobicContact CZ-CD2 4.22Å; Y81-L112 CarbonylContact C-O 3.54Å; Y81-L112 WeakPolarHBondContact CA-O 3.32Å; A82-L112 PolarHBondContact N-O 2.84Å; A82-L112 PolarHBondContact O-N 3.48Å; L84-L112 HydrophobicContact CD2-CB 3.95Å; L84-L112 HydrophobicContact CD2-CD2 4.49Å; L84-L112 HydrophobicContact CG-CB 4.35Å; L112-L114 PolarHBondContact O-N 2.86Å; L112-F119 HydrophobicContact CB-CD1 3.96Å; L112-F119 HydrophobicContact CB-CE1 3.99Å; L112-F119 HydrophobicContact CD1-CD1 3.84Å; L112-F119 HydrophobicContact CD1-CE1 3.66Å; L112-F119 HydrophobicContact CD1-CE2 4.35Å; L112-F119 HydrophobicContact CD1-CG 4.27Å; L112-F119 HydrophobicContact CD1-CZ 3.92Å; L112-F119 HydrophobicContact CD2-CE1 4.01Å; L112-F119 HydrophobicContact CD2-CZ 4.42Å; L112-F119 HydrophobicContact CG-CD1 4.38Å; L112-F119 HydrophobicContact CG-CE1 4.1Å; L112-I136 HydrophobicContact CD2-CG2 3.72Å; L112-L140 HydrophobicContact CD2-CD2 3.67Å; L112-L140 HydrophobicContact CG-CD2 4.21Å
113	N	91	Very high	89.1	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120	171.9	-174.3	-58.2	0	0	0	110.4	Y81 H115 T116 L117 K118 Y120	Y81-N113 HydrophobicContact CD1-CB 3.84Å; Y81-N113 HydrophobicContact CE1-CB 3.59Å; Y81-N113 WeakPolarHBondContact CE1-ND2 3.44Å; Y81-N113 VanDerWaalsContact CZ-ND2 3.27Å; Y81-N113 PolarHBondContact OH-ND2 3.25Å; Y81-N113 VanDerWaalsContact OH-ND2 3.1Å; N113-H115 PolarHBondContact O-N 2.84Å; N113-H115 PolarHBondContact OD1-N 3.24Å; N113-T116 VanDerWaalsContact CB-OG1 3.23Å; N113-T116 WeakPolarHBondContact CB-OG1 3.21Å; N113-T116 PolarHBondContact ND2-OG1 3.47Å; N113-T116 PolarHBondContact OD1-N 2.97Å; N113-T116 PolarHBondContact OD1-OG1 3.29Å; N113-T116 VanDerWaalsContact OD1-OG1 3.08Å; N113-L117 VanDerWaalsContact O-CA 3.31Å; N113-L117 WeakPolarHBondContact O-CA 3.5Å; N113-L117 PolarHBondContact O-N 3.32Å; N113-K118 WeakPolarHBondContact CB-O 3.35Å; N113-K118 PolarHBondContact N-O 3.25Å; N113-Y120 HydrophobicContact CB-CD2 4.38Å; N113-Y120 HydrophobicContact CB-CE2 4.07Å
114	L	86.8	Confident	88.7	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.052	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-15	-173.3	-64.6	-179.7	0	0	0	114.5	F65 K69 V80 A82 Y89 L112 L140	F65-L114 HydrophobicContact CD1-CD2 4.34Å; F65-L114 HydrophobicContact CE1-CD2 4.32Å; K69-L114 HydrophobicContact CB-CD1 3.9Å; K69-L114 HydrophobicContact CD-CB 4.34Å; K69-L114 HydrophobicContact CG-CD1 4.01Å; V80-L114 HydrophobicContact CB-CD1 4.15Å; V80-L114 HydrophobicContact CG1-CD1 3.71Å; V80-L114 PolarHBondContact O-N 3.12Å; A82-L114 HydrophobicContact CB-CD2 3.76Å; A82-L114 HydrophobicContact CB-CG 4.29Å; Y89-L114 HydrophobicContact CD1-CD1 4.18Å; Y89-L114 HydrophobicContact CD2-CD1 4.12Å; Y89-L114 HydrophobicContact CE1-CD1 4.32Å; Y89-L114 HydrophobicContact CE2-CD1 4.22Å; Y89-L114 HydrophobicContact CG-CD1 4.1Å; L112-L114 PolarHBondContact O-N 2.86Å; L114-L140 HydrophobicContact CD2-CD1 3.84Å; L114-L140 HydrophobicContact CD2-CD2 3.65Å; L114-L140 HydrophobicContact CD2-CG 4.44Å
115	H	84.8	Confident	88.5	Confident	167 Å²	167	47.3 Å²	47.3	77%	0.773	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-47	179.7	-173.8	73.4	0	0	0	112.3	N113	N113-H115 PolarHBondContact O-N 2.84Å; N113-H115 PolarHBondContact OD1-N 3.24Å
116	T	86.5	Confident	88.3	Confident	66 Å²	66	41.4 Å²	41.4	41%	0.405	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	-177.3	55.8	0	0	0	0	113.3	N113 K118	N113-T116 VanDerWaalsContact CB-OG1 3.23Å; N113-T116 WeakPolarHBondContact CB-OG1 3.21Å; N113-T116 PolarHBondContact ND2-OG1 3.47Å; N113-T116 PolarHBondContact OD1-N 2.97Å; N113-T116 PolarHBondContact OD1-OG1 3.29Å; N113-T116 VanDerWaalsContact OD1-OG1 3.08Å; T116-K118 PolarHBondContact O-N 2.99Å
117	L	87.4	Confident	88.3	Confident	55 Å²	55	39.1 Å²	39.1	29%	0.288	20%	0.203	S	C	.	.			trans	58.5	22.8	-175.4	-51	177.9	0	0	0	113.7	N113 L140 K141	N113-L117 VanDerWaalsContact O-CA 3.31Å; N113-L117 WeakPolarHBondContact O-CA 3.5Å; N113-L117 PolarHBondContact O-N 3.32Å; L117-L140 HydrophobicContact CD2-CD2 3.4Å; L117-L140 VanDerWaalsContact CD2-CD2 3.4Å; L117-L140 HydrophobicContact CD2-CG 3.96Å; L117-K141 HydrophobicContact CD1-CB 4.11Å; L117-K141 HydrophobicContact CD1-CD 4.14Å; L117-K141 HydrophobicContact CD2-CB 4.36Å
118	K	89.3	Confident	88.2	Confident	83 Å²	83	35.5 Å²	35.5	36%	0.361	18%	0.178	S	C	.	.			trans	-96.1	138.6	177.9	-70.9	177	163.7	-117.8	0	110.9	N113 T116 Y120 E127	N113-K118 WeakPolarHBondContact CB-O 3.35Å; N113-K118 PolarHBondContact N-O 3.25Å; T116-K118 PolarHBondContact O-N 2.99Å; K118-Y120 HydrophobicContact CB-CD2 4.44Å; K118-Y120 HydrophobicContact CB-CE2 3.6Å; K118-Y120 WeakPolarHBondContact O-CD2 3.39Å; K118-E127 VanDerWaalsContact CD-OE1 3.29Å; K118-E127 WeakPolarHBondContact CD-OE1 3.3Å; K118-E127 WeakPolarHBondContact CE-OE1 3.23Å; K118-E127 WeakPolarHBondContact CG-OE1 3.42Å; K118-E127 VanDerWaalsContact NZ-CD 3.26Å; K118-E127 IonicContact NZ-OE1 2.7Å; K118-E127 PolarHBondContact NZ-OE1 2.87Å; K118-E127 IonicContact NZ-OE2 3.27Å; K118-E127 PolarHBondContact NZ-OE2 2.61Å
119	F	91.1	Very high	87.9	Confident	13 Å²	13	37.6 Å²	37.6	6%	0.057	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	145	176.1	-59.9	-84.1	0	0	0	110.8	L84 F111 L112 E127 I128 L133 I136 T137	L84-F119 HydrophobicContact CD1-CD1 3.76Å; L84-F119 HydrophobicContact CD1-CE1 3.75Å; F111-F119 CarbonylContact O-C 3.57Å; F111-F119 WeakPolarHBondContact O-CA 3.49Å; L112-F119 HydrophobicContact CB-CD1 3.96Å; L112-F119 HydrophobicContact CB-CE1 3.99Å; L112-F119 HydrophobicContact CD1-CD1 3.84Å; L112-F119 HydrophobicContact CD1-CE1 3.66Å; L112-F119 HydrophobicContact CD1-CE2 4.35Å; L112-F119 HydrophobicContact CD1-CG 4.27Å; L112-F119 HydrophobicContact CD1-CZ 3.92Å; L112-F119 HydrophobicContact CD2-CE1 4.01Å; L112-F119 HydrophobicContact CD2-CZ 4.42Å; L112-F119 HydrophobicContact CG-CD1 4.38Å; L112-F119 HydrophobicContact CG-CE1 4.1Å; F119-E127 CarbonylContact O-C 3.52Å; F119-E127 VanDerWaalsContact O-CA 3.29Å; F119-E127 WeakPolarHBondContact O-CA 3.29Å; F119-E127 WeakPolarHBondContact O-CG 3.1Å; F119-I128 HydrophobicContact CB-CB 3.82Å; F119-I128 PolarHBondContact O-N 3.18Å; F119-L133 HydrophobicContact CB-CD1 4.28Å; F119-L133 HydrophobicContact CD1-CB 4.47Å; F119-L133 HydrophobicContact CD1-CD1 3.85Å; F119-L133 HydrophobicContact CD2-CB 4.12Å; F119-L133 HydrophobicContact CD2-CD1 3.92Å; F119-L133 HydrophobicContact CE1-CB 3.93Å; F119-L133 HydrophobicContact CE1-CD1 4.1Å; F119-L133 HydrophobicContact CE2-CB 3.55Å; F119-L133 HydrophobicContact CE2-CD1 4.18Å; F119-L133 HydrophobicContact CG-CD1 3.74Å; F119-L133 HydrophobicContact CZ-CB 3.45Å; F119-L133 VanDerWaalsContact CZ-CB 3.45Å; F119-L133 HydrophobicContact CZ-CD1 4.28Å; F119-L133 HydrophobicContact CZ-CG 4.47Å; F119-L133 VanDerWaalsContact CZ-O 3.29Å; F119-L133 WeakPolarHBondContact CZ-O 3.47Å; F119-I136 HydrophobicContact CE1-CB 4.38Å; F119-I136 HydrophobicContact CE1-CG2 4.22Å; F119-I136 HydrophobicContact CZ-CB 4.27Å; F119-I136 HydrophobicContact CZ-CG2 4.46Å; F119-T137 HydrophobicContact CE2-CG2 3.35Å; F119-T137 HydrophobicContact CZ-CG2 3.35Å
120	Y	90.6	Very high	87.6	Confident	18 Å²	18	38.7 Å²	38.7	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.9	179.8	-67.1	-85.4	0	0	0	110.4	Y81 R93 F111 N113 K118 Y126 E127	Y81-Y120 HydrophobicContact CD1-CD2 4.34Å; Y81-Y120 AromaticContact CE1-CD2 3.73Å; Y81-Y120 HydrophobicContact CE1-CD2 3.73Å; Y81-Y120 HydrophobicContact CE1-CE2 4.07Å; Y81-Y120 HydrophobicContact CE1-CG 4.48Å; R93-Y120 PolarHBondContact NH1-OH 2.88Å; R93-Y120 VanDerWaalsContact NH1-OH 3.09Å; F111-Y120 PolarHBondContact N-O 2.9Å; F111-Y120 PolarHBondContact O-N 3.05Å; N113-Y120 HydrophobicContact CB-CD2 4.38Å; N113-Y120 HydrophobicContact CB-CE2 4.07Å; K118-Y120 HydrophobicContact CB-CD2 4.44Å; K118-Y120 HydrophobicContact CB-CE2 3.6Å; K118-Y120 WeakPolarHBondContact O-CD2 3.39Å; Y120-Y126 CarbonylContact C-O 3.56Å; Y120-Y126 VanDerWaalsContact CA-O 3.31Å; Y120-Y126 WeakPolarHBondContact CA-O 3.16Å; Y120-E127 HydrophobicContact CD1-CB 4.27Å; Y120-E127 HydrophobicContact CE1-CB 4.04Å; Y120-E127 HydrophobicContact CE1-CG 4.46Å
121	C	89.1	Confident	87.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.3	165.8	-167.4	0	0	0	0	108.8	H109 N125 Y126 I128	H109-C121 CarbonylContact O-C 3.48Å; H109-C121 WeakPolarHBondContact O-CA 3.46Å; C121-N125 WeakPolarHBondContact O-CA 3.04Å; C121-N125 PolarHBondContact O-N 2.95Å; C121-Y126 HydrophobicContact CB-CD1 3.9Å; C121-Y126 HydrophobicContact CB-CD2 3.97Å; C121-Y126 HydrophobicContact CB-CE1 3.45Å; C121-Y126 VanDerWaalsContact CB-CE1 3.45Å; C121-Y126 HydrophobicContact CB-CE2 3.54Å; C121-Y126 HydrophobicContact CB-CG 4.14Å; C121-Y126 PolarHBondContact N-O 2.98Å; C121-Y126 PolarHBondContact O-N 2.93Å; C121-Y126 VanDerWaalsContact SG-CZ 3.57Å; C121-Y126 PolarHBondContact SG-OH 2.93Å; C121-Y126 VanDerWaalsContact SG-OH 3.33Å; C121-I128 HydrophobicContact CB-CD1 4Å; C121-I128 HydrophobicContact CB-CG1 4.22Å
122	L	87.7	Confident	86.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	144.7	169.9	-64.2	173.1	0	0	0	108.1	R93 A99 H109 F111 N125	R93-L122 HydrophobicContact CB-CD2 4.47Å; A99-L122 HydrophobicContact CB-CD1 3.83Å; H109-L122 CarbonylContact C-O 3.58Å; H109-L122 WeakPolarHBondContact CA-O 3.37Å; H109-L122 WeakPolarHBondContact CB-O 3.45Å; H109-L122 PolarHBondContact CD2-O 2.82Å; H109-L122 VanDerWaalsContact CD2-O 3.31Å; H109-L122 PolarHBondContact O-N 2.91Å; F111-L122 HydrophobicContact CD2-CB 3.82Å; F111-L122 HydrophobicContact CD2-CD1 3.74Å; F111-L122 HydrophobicContact CD2-CG 3.94Å; F111-L122 HydrophobicContact CE2-CB 3.75Å; F111-L122 HydrophobicContact CE2-CD1 4.02Å; F111-L122 HydrophobicContact CE2-CG 4.29Å; F111-L122 HydrophobicContact CG-CD1 4.08Å; L122-N125 HydrophobicContact CD2-CB 3.95Å
123	P	83.6	Confident	86.4	Confident	33 Å²	33	45.8 Å²	45.8	21%	0.214	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-12.1	11.3	32.8	-35	0	0	0	114.8	Y100 V104 N125	Y100-P123 HydrophobicContact CD2-CB 4.05Å; Y100-P123 HydrophobicContact CE1-CB 4.33Å; Y100-P123 HydrophobicContact CE2-CB 3.39Å; Y100-P123 WeakPolarHBondContact CE2-O 3.29Å; V104-P123 HydrophobicContact CG2-CB 3.95Å; V104-P123 HydrophobicContact CG2-CG 4.14Å; P123-N125 PolarHBondContact O-N 3.29Å
124	D	82.8	Confident	86	Confident	87 Å²	87	50.9 Å²	50.9	47%	0.465	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	-174	-62.4	-31.5	0	0	0	114.7	Y126	D124-Y126 HydrophobicContact CB-CD1 3.56Å; D124-Y126 HydrophobicContact CB-CE1 3.51Å; D124-Y126 PolarHBondContact O-N 2.86Å
125	N	85.7	Confident	85.9	Confident	78 Å²	78	52.3 Å²	52.3	42%	0.417	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.8	172.4	-167.7	37.1	0	0	0	115	C121 L122 P123	C121-N125 WeakPolarHBondContact O-CA 3.04Å; C121-N125 PolarHBondContact O-N 2.95Å; L122-N125 HydrophobicContact CD2-CB 3.95Å; P123-N125 PolarHBondContact O-N 3.29Å
126	Y	86.8	Confident	85.9	Confident	11 Å²	11	44.4 Å²	44.4	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.8	168.8	61.3	-92.1	0	0	0	111.7	R48 C52 Y120 C121 D124 I128	R48-Y126 HydrophobicContact CB-CD1 4.47Å; R48-Y126 HydrophobicContact CB-CD2 4.08Å; R48-Y126 HydrophobicContact CB-CE1 4.45Å; R48-Y126 HydrophobicContact CB-CE2 4.04Å; R48-Y126 HydrophobicContact CB-CG 4.29Å; C52-Y126 HydrophobicContact CB-CE2 4.15Å; C52-Y126 PolarHBondContact SG-OH 3.37Å; C52-Y126 VanDerWaalsContact SG-OH 3.36Å; Y120-Y126 CarbonylContact C-O 3.56Å; Y120-Y126 VanDerWaalsContact CA-O 3.31Å; Y120-Y126 WeakPolarHBondContact CA-O 3.16Å; C121-Y126 HydrophobicContact CB-CD1 3.9Å; C121-Y126 HydrophobicContact CB-CD2 3.97Å; C121-Y126 HydrophobicContact CB-CE1 3.45Å; C121-Y126 VanDerWaalsContact CB-CE1 3.45Å; C121-Y126 HydrophobicContact CB-CE2 3.54Å; C121-Y126 HydrophobicContact CB-CG 4.14Å; C121-Y126 PolarHBondContact N-O 2.98Å; C121-Y126 PolarHBondContact O-N 2.93Å; C121-Y126 VanDerWaalsContact SG-CZ 3.57Å; C121-Y126 PolarHBondContact SG-OH 2.93Å; C121-Y126 VanDerWaalsContact SG-OH 3.33Å; D124-Y126 HydrophobicContact CB-CD1 3.56Å; D124-Y126 HydrophobicContact CB-CE1 3.51Å; D124-Y126 PolarHBondContact O-N 2.86Å; Y126-I128 HydrophobicContact CD2-CG1 4.33Å; Y126-I128 HydrophobicContact CE2-CG1 4.05Å
127	E	88.8	Confident	85.9	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.4	175.6	-177.4	169.8	178	0	0	109.6	S49 K118 F119 Y120 I129	S49-E127 WeakPolarHBondContact CA-O 3.45Å; S49-E127 WeakPolarHBondContact CB-O 3.35Å; S49-E127 PolarHBondContact OG-O 2.76Å; K118-E127 VanDerWaalsContact CD-OE1 3.29Å; K118-E127 WeakPolarHBondContact CD-OE1 3.3Å; K118-E127 WeakPolarHBondContact CE-OE1 3.23Å; K118-E127 WeakPolarHBondContact CG-OE1 3.42Å; K118-E127 VanDerWaalsContact NZ-CD 3.26Å; K118-E127 IonicContact NZ-OE1 2.7Å; K118-E127 PolarHBondContact NZ-OE1 2.87Å; K118-E127 IonicContact NZ-OE2 3.27Å; K118-E127 PolarHBondContact NZ-OE2 2.61Å; F119-E127 CarbonylContact O-C 3.52Å; F119-E127 VanDerWaalsContact O-CA 3.29Å; F119-E127 WeakPolarHBondContact O-CA 3.29Å; F119-E127 WeakPolarHBondContact O-CG 3.1Å; Y120-E127 HydrophobicContact CD1-CB 4.27Å; Y120-E127 HydrophobicContact CE1-CB 4.04Å; Y120-E127 HydrophobicContact CE1-CG 4.46Å; E127-I129 HydrophobicContact CG-CG1 4.27Å
128	I	86.1	Confident	85.8	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.7	176.1	-56.1	164.8	0	0	0	108.1	S49 C52 L55 V110 F119 C121 Y126 D130 L133	S49-I128 CarbonylContact O-C 3.57Å; S49-I128 WeakPolarHBondContact O-CA 3.29Å; C52-I128 HydrophobicContact CB-CD1 4.17Å; C52-I128 HydrophobicContact CB-CG1 4.07Å; C52-I128 HydrophobicContact CB-CG2 4.15Å; L55-I128 HydrophobicContact CD2-CG2 4.09Å; V110-I128 HydrophobicContact CG1-CD1 3.8Å; F119-I128 HydrophobicContact CB-CB 3.82Å; F119-I128 PolarHBondContact O-N 3.18Å; C121-I128 HydrophobicContact CB-CD1 4Å; C121-I128 HydrophobicContact CB-CG1 4.22Å; Y126-I128 HydrophobicContact CD2-CG1 4.33Å; Y126-I128 HydrophobicContact CE2-CG1 4.05Å; I128-D130 HydrophobicContact CG2-CB 4.38Å; I128-L133 HydrophobicContact CG2-CD1 4.04Å
129	I	85.8	Confident	85.6	Confident	78 Å²	78	38.2 Å²	38.2	40%	0.4	21%	0.208	S	C	.	.			trans	-122	98.9	179.2	-54.5	172.9	0	0	0	106.7	S49 E127	S49-I129 PolarHBondContact O-N 2.78Å; E127-I129 HydrophobicContact CG-CG1 4.27Å
130	D	82.5	Confident	85.4	Confident	52 Å²	52	37.9 Å²	37.9	28%	0.278	21%	0.207	S	C	.	.			trans	-144.4	129.8	-179.5	-163.3	-63.6	0	0	0	110.3	I128 S132 L133	I128-D130 HydrophobicContact CG2-CB 4.38Å; D130-S132 PolarHBondContact O-N 2.86Å; D130-S132 WeakPolarHBondContact OD1-CB 3.16Å; D130-S132 PolarHBondContact OD1-N 3.25Å; D130-S132 PolarHBondContact OD1-OG 2.82Å; D130-L133 HydrophobicContact CB-CD1 4.27Å; D130-L133 HydrophobicContact CB-CG 4.25Å; D130-L133 PolarHBondContact O-N 2.83Å
131	S	83.5	Confident	85.1	Confident	88 Å²	88	40.7 Å²	40.7	62%	0.615	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-68.5	-21.2	-179.3	-64.4	0	0	0	0	113.1	L133 E134	S131-L133 PolarHBondContact O-N 2.78Å; S131-E134 WeakPolarHBondContact O-CB 3.39Å; S131-E134 PolarHBondContact O-N 2.73Å
132	S	82.7	Confident	85	Confident	60 Å²	60	40.9 Å²	40.9	42%	0.42	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.9	-12	176.5	70	0	0	0	0	113.9	R60 D130	R60-S132 PolarHBondContact NH2-O 2.89Å; R60-S132 VanDerWaalsContact NH2-O 3.11Å; D130-S132 PolarHBondContact O-N 2.86Å; D130-S132 WeakPolarHBondContact OD1-CB 3.16Å; D130-S132 PolarHBondContact OD1-N 3.25Å; D130-S132 PolarHBondContact OD1-OG 2.82Å
133	L	82.2	Confident	85	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-99.6	-3.1	178	-53.5	179.5	0	0	0	112.9	L55 I58 F119 I128 D130 S131 D135 I136 T137	L55-L133 HydrophobicContact CD2-CD1 3.71Å; L55-L133 HydrophobicContact CD2-CD2 3.97Å; L55-L133 HydrophobicContact CD2-CG 4.12Å; I58-L133 HydrophobicContact CD1-CD2 3.46Å; I58-L133 VanDerWaalsContact CD1-CD2 3.46Å; F119-L133 HydrophobicContact CB-CD1 4.28Å; F119-L133 HydrophobicContact CD1-CB 4.47Å; F119-L133 HydrophobicContact CD1-CD1 3.85Å; F119-L133 HydrophobicContact CD2-CB 4.12Å; F119-L133 HydrophobicContact CD2-CD1 3.92Å; F119-L133 HydrophobicContact CE1-CB 3.93Å; F119-L133 HydrophobicContact CE1-CD1 4.1Å; F119-L133 HydrophobicContact CE2-CB 3.55Å; F119-L133 HydrophobicContact CE2-CD1 4.18Å; F119-L133 HydrophobicContact CG-CD1 3.74Å; F119-L133 HydrophobicContact CZ-CB 3.45Å; F119-L133 VanDerWaalsContact CZ-CB 3.45Å; F119-L133 HydrophobicContact CZ-CD1 4.28Å; F119-L133 HydrophobicContact CZ-CG 4.47Å; F119-L133 VanDerWaalsContact CZ-O 3.29Å; F119-L133 WeakPolarHBondContact CZ-O 3.47Å; I128-L133 HydrophobicContact CG2-CD1 4.04Å; D130-L133 HydrophobicContact CB-CD1 4.27Å; D130-L133 HydrophobicContact CB-CG 4.25Å; D130-L133 PolarHBondContact O-N 2.83Å; S131-L133 PolarHBondContact O-N 2.78Å; L133-D135 WeakPolarHBondContact CA-OD1 3.29Å; L133-D135 PolarHBondContact O-N 3.44Å; L133-I136 HydrophobicContact CD2-CD1 3.88Å; L133-I136 WeakPolarHBondContact O-CB 3.26Å; L133-I136 PolarHBondContact O-N 3.22Å; L133-I136 VanDerWaalsContact O-N 3.1Å; L133-T137 PolarHBondContact O-N 3.13Å
134	E	83.3	Confident	85.1	Confident	109 Å²	109	44.2 Å²	44.2	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-30.9	177.8	-75.2	179.9	-164.7	0	0	111.6	S131 I136 T137 Y138	S131-E134 WeakPolarHBondContact O-CB 3.39Å; S131-E134 PolarHBondContact O-N 2.73Å; E134-I136 VanDerWaalsContact C-N 3.33Å; E134-I136 PolarHBondContact O-N 3.5Å; E134-T137 PolarHBondContact O-N 2.67Å; E134-T137 PolarHBondContact O-OG1 2.66Å; E134-Y138 VanDerWaalsContact O-CB 3.28Å; E134-Y138 WeakPolarHBondContact O-CB 3.49Å; E134-Y138 PolarHBondContact O-N 3.38Å
135	D	84.3	Confident	85.3	Confident	40 Å²	40	44.4 Å²	44.4	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-56.1	-45.7	172.5	65	-24.7	0	0	0	111.8	R60 L133 Y138 V139 F237	R60-D135 IonicContact CZ-OD2 2.98Å; R60-D135 IonicContact NE-OD2 3.43Å; R60-D135 PolarHBondContact NE-OD2 3.1Å; R60-D135 IonicContact NH2-OD1 3.61Å; R60-D135 IonicContact NH2-OD2 3.94Å; L133-D135 WeakPolarHBondContact CA-OD1 3.29Å; L133-D135 PolarHBondContact O-N 3.44Å; D135-Y138 CarbonylContact O-C 3.56Å; D135-Y138 PolarHBondContact O-N 3.21Å; D135-V139 WeakPolarHBondContact O-CG2 2.98Å; D135-V139 PolarHBondContact O-N 2.84Å; D135-F237 HydrophobicContact CB-CE1 4.39Å
136	I	84.7	Confident	85.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-43.4	178.4	-61.3	164.6	0	0	0	110.5	I58 L63 F65 L84 L112 F119 L133 E134 Y138 V139 L140 F237	I58-I136 HydrophobicContact CG2-CD1 4Å; L63-I136 HydrophobicContact CD1-CD1 4.12Å; L63-I136 HydrophobicContact CD1-CG1 4.02Å; L63-I136 HydrophobicContact CD1-CG2 4.09Å; F65-I136 HydrophobicContact CE2-CG2 3.77Å; F65-I136 HydrophobicContact CZ-CG2 3.67Å; L84-I136 HydrophobicContact CD1-CD1 4.07Å; L84-I136 HydrophobicContact CD2-CG2 4.02Å; L112-I136 HydrophobicContact CD2-CG2 3.72Å; F119-I136 HydrophobicContact CE1-CB 4.38Å; F119-I136 HydrophobicContact CE1-CG2 4.22Å; F119-I136 HydrophobicContact CZ-CB 4.27Å; F119-I136 HydrophobicContact CZ-CG2 4.46Å; L133-I136 HydrophobicContact CD2-CD1 3.88Å; L133-I136 WeakPolarHBondContact O-CB 3.26Å; L133-I136 PolarHBondContact O-N 3.22Å; L133-I136 VanDerWaalsContact O-N 3.1Å; E134-I136 VanDerWaalsContact C-N 3.33Å; E134-I136 PolarHBondContact O-N 3.5Å; I136-Y138 VanDerWaalsContact C-N 3.27Å; I136-Y138 PolarHBondContact O-N 3.01Å; I136-V139 PolarHBondContact O-N 2.86Å; I136-L140 WeakPolarHBondContact O-CB 3.33Å; I136-L140 PolarHBondContact O-N 3.4Å; I136-F237 HydrophobicContact CB-CZ 4.24Å; I136-F237 HydrophobicContact CG1-CE2 4.15Å; I136-F237 HydrophobicContact CG1-CZ 3.65Å
137	T	86.1	Confident	85.2	Confident	31 Å²	31	55.5 Å²	55.5	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-36.7	175.4	66.3	0	0	0	0	111.9	F119 L133 E134 L140 K141	F119-T137 HydrophobicContact CE2-CG2 3.35Å; F119-T137 HydrophobicContact CZ-CG2 3.35Å; L133-T137 PolarHBondContact O-N 3.13Å; E134-T137 PolarHBondContact O-N 2.67Å; E134-T137 PolarHBondContact O-OG1 2.66Å; T137-L140 PolarHBondContact O-N 3.15Å; T137-K141 PolarHBondContact O-N 3.06Å
138	Y	86.3	Confident	84.9	Confident	33 Å²	33	55.2 Å²	55.2	13%	0.129	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-35	179.7	-164	-92.9	0	0	0	111.6	E134 D135 I136 K141 P142 T143 N233 P234 R235	E134-Y138 VanDerWaalsContact O-CB 3.28Å; E134-Y138 WeakPolarHBondContact O-CB 3.49Å; E134-Y138 PolarHBondContact O-N 3.38Å; D135-Y138 CarbonylContact O-C 3.56Å; D135-Y138 PolarHBondContact O-N 3.21Å; I136-Y138 VanDerWaalsContact C-N 3.27Å; I136-Y138 PolarHBondContact O-N 3.01Å; Y138-K141 CarbonylContact O-C 3.53Å; Y138-P142 HydrophobicContact CE1-CB 4.39Å; Y138-P142 WeakPolarHBondContact O-CA 3.49Å; Y138-P142 WeakPolarHBondContact O-CB 3.44Å; Y138-P142 VanDerWaalsContact O-CD 3.3Å; Y138-P142 WeakPolarHBondContact O-CD 3.22Å; Y138-P142 WeakPolarHBondContact O-CG 3.23Å; Y138-T143 VanDerWaalsContact CE2-O 3.32Å; Y138-T143 WeakPolarHBondContact CE2-O 3.46Å; Y138-T143 PolarHBondContact OH-O 2.87Å; Y138-T143 VanDerWaalsContact OH-O 3.1Å; Y138-N233 WeakPolarHBondContact CD1-OD1 3.28Å; Y138-N233 WeakPolarHBondContact CE1-OD1 3.07Å; Y138-P234 HydrophobicContact CE1-CG 4.3Å; Y138-R235 HydrophobicContact CD1-CB 4.09Å; Y138-R235 HydrophobicContact CE1-CB 4.41Å
139	V	85.1	Confident	84.8	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-43	171.6	178.2	0	0	0	0	111	F65 D135 I136 R235 F237	F65-V139 HydrophobicContact CD2-CB 4.31Å; F65-V139 HydrophobicContact CD2-CG1 3.87Å; D135-V139 WeakPolarHBondContact O-CG2 2.98Å; D135-V139 PolarHBondContact O-N 2.84Å; I136-V139 PolarHBondContact O-N 2.86Å; V139-R235 WeakPolarHBondContact CG2-O 3.26Å; V139-F237 HydrophobicContact CB-CD2 4.25Å; V139-F237 HydrophobicContact CB-CE2 4.03Å; V139-F237 HydrophobicContact CB-CZ 4.27Å; V139-F237 HydrophobicContact CG1-CD2 3.96Å; V139-F237 HydrophobicContact CG1-CE2 4.2Å; V139-F237 HydrophobicContact CG1-CG 4.42Å; V139-F237 HydrophobicContact CG2-CD1 3.84Å; V139-F237 HydrophobicContact CG2-CD2 3.98Å; V139-F237 HydrophobicContact CG2-CE1 3.73Å; V139-F237 HydrophobicContact CG2-CE2 3.86Å; V139-F237 HydrophobicContact CG2-CG 3.96Å; V139-F237 HydrophobicContact CG2-CZ 3.73Å
140	L	85.4	Confident	84.6	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-42.8	179.2	173.3	60.4	0	0	0	112.4	F65 L112 L114 L117 I136 T137	F65-L140 HydrophobicContact CB-CD1 3.86Å; F65-L140 HydrophobicContact CD1-CB 4.41Å; F65-L140 HydrophobicContact CD1-CD1 3.78Å; F65-L140 HydrophobicContact CD2-CB 4.06Å; F65-L140 HydrophobicContact CE2-CB 4.36Å; F65-L140 HydrophobicContact CG-CB 4.08Å; F65-L140 HydrophobicContact CG-CD1 3.87Å; L112-L140 HydrophobicContact CD2-CD2 3.67Å; L112-L140 HydrophobicContact CG-CD2 4.21Å; L114-L140 HydrophobicContact CD2-CD1 3.84Å; L114-L140 HydrophobicContact CD2-CD2 3.65Å; L114-L140 HydrophobicContact CD2-CG 4.44Å; L117-L140 HydrophobicContact CD2-CD2 3.4Å; L117-L140 VanDerWaalsContact CD2-CD2 3.4Å; L117-L140 HydrophobicContact CD2-CG 3.96Å; I136-L140 WeakPolarHBondContact O-CB 3.33Å; I136-L140 PolarHBondContact O-N 3.4Å; T137-L140 PolarHBondContact O-N 3.15Å
141	K	85.7	Confident	84.6	Confident	76 Å²	76	53.4 Å²	53.4	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	-139.8	85	178.4	-168.1	174	-177.2	169.6	0	110.1	L117 T137 Y138 T143 E203	L117-K141 HydrophobicContact CD1-CB 4.11Å; L117-K141 HydrophobicContact CD1-CD 4.14Å; L117-K141 HydrophobicContact CD2-CB 4.36Å; T137-K141 PolarHBondContact O-N 3.06Å; Y138-K141 CarbonylContact O-C 3.53Å; K141-T143 PolarHBondContact O-N 3.47Å; K141-E203 WeakPolarHBondContact CE-OE2 3.41Å; K141-E203 IonicContact NZ-OE1 3.08Å; K141-E203 IonicContact NZ-OE2 3.71Å; K141-E203 PolarHBondContact NZ-OE2 3.47Å
142	P	87.1	Confident	84.5	Confident	4 Å²	4	50 Å²	50	3%	0.026	27%	0.268	C	S	.	.			trans	-63.2	133	178.5	-16.5	27	0	0	0	110.1	Y138 F144 R229 K230 N233	Y138-P142 HydrophobicContact CE1-CB 4.39Å; Y138-P142 WeakPolarHBondContact O-CA 3.49Å; Y138-P142 WeakPolarHBondContact O-CB 3.44Å; Y138-P142 VanDerWaalsContact O-CD 3.3Å; Y138-P142 WeakPolarHBondContact O-CD 3.22Å; Y138-P142 WeakPolarHBondContact O-CG 3.23Å; P142-F144 HydrophobicContact CB-CE2 3.79Å; P142-F144 HydrophobicContact CB-CZ 4.26Å; P142-R229 HydrophobicContact CB-CB 4.13Å; P142-R229 HydrophobicContact CG-CB 4.23Å; P142-R229 WeakPolarHBondContact O-CD 3.31Å; P142-K230 HydrophobicContact CG-CG 4.4Å; P142-N233 HydrophobicContact CB-CB 4.42Å; P142-N233 HydrophobicContact CG-CB 4.24Å
143	T	85.8	Confident	84.1	Confident	87 Å²	87	49 Å²	49	53%	0.534	26%	0.258	S	S	.	.			trans	-119.1	135.6	178.8	51.6	0	0	0	0	109.6	Y138 K141	Y138-T143 VanDerWaalsContact CE2-O 3.32Å; Y138-T143 WeakPolarHBondContact CE2-O 3.46Å; Y138-T143 PolarHBondContact OH-O 2.87Å; Y138-T143 VanDerWaalsContact OH-O 3.1Å; K141-T143 PolarHBondContact O-N 3.47Å
144	F	86.4	Confident	83.8	Confident	17 Å²	17	56.9 Å²	56.9	8%	0.075	29%	0.292	C	S	.	.			trans	-121.8	131.1	-176.8	-64.7	-92.8	0	0	0	109.6	P142 H148 I149 L201 R229 W232	P142-F144 HydrophobicContact CB-CE2 3.79Å; P142-F144 HydrophobicContact CB-CZ 4.26Å; F144-H148 AromaticContact CD1-ND1 3.89Å; F144-I149 HydrophobicContact CB-CD1 3.92Å; F144-I149 HydrophobicContact CB-CG1 3.75Å; F144-L201 HydrophobicContact CB-CB 4.33Å; F144-L201 HydrophobicContact CD1-CD1 4.48Å; F144-L201 HydrophobicContact CD2-CB 4.16Å; F144-L201 HydrophobicContact CD2-CD2 3.87Å; F144-L201 HydrophobicContact CD2-CG 4.45Å; F144-L201 HydrophobicContact CE2-CD2 3.73Å; F144-L201 HydrophobicContact CG-CB 4.31Å; F144-L201 HydrophobicContact CG-CD1 4.43Å; F144-L201 HydrophobicContact CG-CD2 4.38Å; F144-L201 HydrophobicContact CZ-CD2 4.12Å; F144-R229 HydrophobicContact CD2-CG 4.05Å; F144-R229 HydrophobicContact CE2-CB 3.9Å; F144-R229 HydrophobicContact CE2-CG 3.88Å; F144-W232 HydrophobicContact CE1-CB 4.46Å; F144-W232 VanDerWaalsContact CE1-O 3.31Å; F144-W232 WeakPolarHBondContact CE1-O 3.28Å; F144-W232 HydrophobicContact CZ-CB 4.19Å; F144-W232 VanDerWaalsContact CZ-O 3.28Å; F144-W232 WeakPolarHBondContact CZ-O 3.31Å
145	T	87.4	Confident	83.2	Confident	90 Å²	90	56.9 Å²	56.9	55%	0.552	29%	0.292	S	S	*	.			trans	-89	153.6	172.2	62.2	0	0	0	0	109.9	Q147 H148 I149	T145-Q147 PolarHBondContact O-N 2.8Å; T145-Q147 VanDerWaalsContact O-N 3.15Å; T145-H148 WeakPolarHBondContact O-CA 3.4Å; T145-H148 WeakPolarHBondContact O-CB 3.36Å; T145-H148 PolarHBondContact O-N 3.22Å; T145-H148 WeakPolarHBondContact OG1-CB 3.46Å; T145-H148 PolarHBondContact OG1-N 2.94Å; T145-I149 WeakPolarHBondContact O-CG1 3.26Å; T145-I149 PolarHBondContact O-N 2.74Å
146	K	85.1	Confident	82.5	Confident	154 Å²	154	56.6 Å²	56.6	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-52.1	-39.2	177.9	-70.7	-180	-179.5	-180	0	113.5	I149 A150 E202	K146-I149 PolarHBondContact O-N 2.75Å; K146-A150 PolarHBondContact O-N 3.35Å; K146-E202 VanDerWaalsContact CE-OE1 3.31Å; K146-E202 WeakPolarHBondContact CE-OE1 3.2Å; K146-E202 WeakPolarHBondContact CG-OE1 3.21Å
147	Q	84.4	Confident	82.1	Confident	168 Å²	168	63.5 Å²	63.5	79%	0.785	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-42.6	176.8	-68.2	177.9	-9	0	0	111.8	T145 A150 A151	T145-Q147 PolarHBondContact O-N 2.8Å; T145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-A150 PolarHBondContact O-N 2.81Å; Q147-A151 WeakPolarHBondContact O-CB 3.16Å; Q147-A151 PolarHBondContact O-N 3.39Å; Q147-A151 VanDerWaalsContact O-N 3.1Å
148	H	82.8	Confident	81.8	Confident	50 Å²	50	66.7 Å²	66.7	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-66.1	-40.7	177.5	-170.1	-172.6	0	0	0	111.6	F144 T145 A150 A151 L152	F144-H148 AromaticContact CD1-ND1 3.89Å; T145-H148 WeakPolarHBondContact O-CA 3.4Å; T145-H148 WeakPolarHBondContact O-CB 3.36Å; T145-H148 PolarHBondContact O-N 3.22Å; T145-H148 WeakPolarHBondContact OG1-CB 3.46Å; T145-H148 PolarHBondContact OG1-N 2.94Å; H148-A150 PolarHBondContact O-N 3.24Å; H148-A151 PolarHBondContact O-N 3.42Å; H148-L152 PolarHBondContact O-N 2.83Å
149	I	84.2	Confident	81.7	Confident	9 Å²	9	68.1 Å²	68.1	5%	0.046	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-42.7	176.4	-65.3	173.8	0	0	0	111.1	F144 T145 K146 A151 L152 N198 L201 E202	F144-I149 HydrophobicContact CB-CD1 3.92Å; F144-I149 HydrophobicContact CB-CG1 3.75Å; T145-I149 WeakPolarHBondContact O-CG1 3.26Å; T145-I149 PolarHBondContact O-N 2.74Å; K146-I149 PolarHBondContact O-N 2.75Å; I149-A151 VanDerWaalsContact C-N 3.29Å; I149-A151 PolarHBondContact O-N 3.01Å; I149-L152 WeakPolarHBondContact O-CB 3.09Å; I149-L152 PolarHBondContact O-N 3.03Å; I149-N198 HydrophobicContact CG2-CB 3.7Å; I149-N198 WeakPolarHBondContact CG2-OD1 3.45Å; I149-L201 HydrophobicContact CD1-CB 4.02Å; I149-L201 HydrophobicContact CG1-CB 4.46Å; I149-L201 HydrophobicContact CG1-CD1 4.11Å; I149-E202 HydrophobicContact CD1-CG 3.67Å
150	A	82.5	Confident	81.6	Confident	62 Å²	62	76.6 Å²	76.6	51%	0.512	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-27.9	177.9	0	0	0	0	0	113.3	K146 Q147 H148	K146-A150 PolarHBondContact O-N 3.35Å; Q147-A150 PolarHBondContact O-N 2.81Å; H148-A150 PolarHBondContact O-N 3.24Å
151	A	82.7	Confident	81.5	Confident	26 Å²	26	76.5 Å²	76.5	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-83.8	-18.7	178.2	0	0	0	0	0	113	Q147 H148 I149 D153 K154 H155	Q147-A151 WeakPolarHBondContact O-CB 3.16Å; Q147-A151 PolarHBondContact O-N 3.39Å; Q147-A151 VanDerWaalsContact O-N 3.1Å; H148-A151 PolarHBondContact O-N 3.42Å; I149-A151 VanDerWaalsContact C-N 3.29Å; I149-A151 PolarHBondContact O-N 3.01Å; A151-D153 VanDerWaalsContact C-N 3.28Å; A151-D153 PolarHBondContact O-N 2.82Å; A151-K154 PolarHBondContact O-N 3.15Å; A151-H155 PolarHBondContact O-CD2 3.36Å; A151-H155 PolarHBondContact O-N 2.94Å
152	L	79.7	Confident	81.1	Confident	15 Å²	15	79.1 Å²	79.1	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-37.3	-174.2	-138.2	69.3	0	0	0	112.9	H148 I149 K154 L201 W232	H148-L152 PolarHBondContact O-N 2.83Å; I149-L152 WeakPolarHBondContact O-CB 3.09Å; I149-L152 PolarHBondContact O-N 3.03Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-L201 HydrophobicContact CD2-CD1 3.99Å; L152-W232 HydrophobicContact CD2-CB 4.26Å; L152-W232 HydrophobicContact CD2-CD2 3.89Å; L152-W232 HydrophobicContact CD2-CE3 3.26Å; L152-W232 HydrophobicContact CD2-CG 4.32Å; L152-W232 HydrophobicContact CD2-CZ3 3.88Å; L152-W232 HydrophobicContact CG-CE3 3.76Å; L152-W232 HydrophobicContact CG-CZ3 4.05Å
153	D	74.3	Confident	80.6	Confident	40 Å²	40	83.3 Å²	83.3	21%	0.214	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.1	179.1	-66.7	-37.2	0	0	0	113.8	A151 R197 H467 G468	A151-D153 VanDerWaalsContact C-N 3.28Å; A151-D153 PolarHBondContact O-N 2.82Å; D153-R197 IonicContact OD1-CZ 3.55Å; D153-R197 VanDerWaalsContact OD1-CZ 3.27Å; D153-R197 IonicContact OD1-NH1 2.66Å; D153-R197 PolarHBondContact OD1-NH1 3.12Å; D153-R197 IonicContact OD1-NH2 2.67Å; D153-R197 PolarHBondContact OD1-NH2 2.85Å; D153-R197 IonicContact OD2-CZ 3.51Å; D153-R197 IonicContact OD2-NH1 3.66Å; D153-R197 IonicContact OD2-NH2 2.83Å; D153-R197 PolarHBondContact OD2-NH2 3.37Å; D153-H467 HydrophobicContact CB-CB 4.25Å; D153-H467 CarbonylContact O-C 3.6Å; D153-G468 WeakPolarHBondContact O-CA 3.5Å; D153-G468 PolarHBondContact O-N 2.84Å
154	K	76.6	Confident	80.2	Confident	166 Å²	166	80.3 Å²	80.3	72%	0.722	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-21.2	-174	-63.3	-175.9	179.2	-176.8	0	113.2	A151 L152	A151-K154 PolarHBondContact O-N 3.15Å; L152-K154 VanDerWaalsContact C-N 3.33Å
155	H	71.3	Confident	80.1	Confident	109 Å²	109	82.6 Å²	82.6	51%	0.505	41%	0.413	S	S	.	.			trans	-103.3	117.3	-174	-66.8	-59.2	0	0	0	111.9	A151 K157	A151-H155 PolarHBondContact O-CD2 3.36Å; A151-H155 PolarHBondContact O-N 2.94Å; H155-K157 PolarHBondContact O-N 2.91Å
156	G	69.1	Low	80.1	Confident	35 Å²	35	82.4 Å²	82.4	36%	0.361	41%	0.412	S	S	.	.			trans	-85.3	24.8	169.6	0	0	0	0	0	115	L158 T469	G156-L158 PolarHBondContact O-N 3.44Å; G156-T469 VanDerWaalsContact CA-CG2 3.42Å
157	K	77	Confident	80.2	Confident	144 Å²	144	75.6 Å²	75.6	63%	0.626	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-76.2	125.1	-174.8	-172.1	177.1	179.7	-179.8	0	110	H155 Y159	H155-K157 PolarHBondContact O-N 2.91Å; K157-Y159 HydrophobicContact CB-CE2 4.43Å; K157-Y159 WeakPolarHBondContact O-CD2 3.49Å; K157-Y159 VanDerWaalsContact O-CE2 3.24Å; K157-Y159 WeakPolarHBondContact O-CE2 3.46Å
158	L	79.3	Confident	80.3	Confident	99 Å²	99	68 Å²	68	52%	0.518	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-68.3	131.5	168.2	-73.3	164.4	0	0	0	110	G156 L168	G156-L158 PolarHBondContact O-N 3.44Å; L158-L168 HydrophobicContact CD2-CD1 4.48Å; L158-L168 HydrophobicContact CD2-CD2 3.74Å; L158-L168 HydrophobicContact CD2-CG 3.68Å; L158-L168 HydrophobicContact CG-CD2 4.15Å
159	Y	82.9	Confident	80.5	Confident	63 Å²	63	66 Å²	66	25%	0.247	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.4	173.2	-68.6	-94.2	0	0	0	109.3	K157 T166 Y167 P169 P234	K157-Y159 HydrophobicContact CB-CE2 4.43Å; K157-Y159 WeakPolarHBondContact O-CD2 3.49Å; K157-Y159 VanDerWaalsContact O-CE2 3.24Å; K157-Y159 WeakPolarHBondContact O-CE2 3.46Å; Y159-T166 CarbonylContact O-C 3.56Å; Y159-T166 VanDerWaalsContact O-CA 3.26Å; Y159-T166 WeakPolarHBondContact O-CA 3.48Å; Y159-Y167 PolarHBondContact N-O 3.15Å; Y159-Y167 PolarHBondContact O-N 3.12Å; Y159-P169 HydrophobicContact CD2-CG 3.51Å; Y159-P169 HydrophobicContact CE2-CG 3.64Å; Y159-P169 HydrophobicContact CG-CG 4.31Å; Y159-P234 WeakPolarHBondContact CB-O 3.37Å; Y159-P234 HydrophobicContact CD1-CB 3.53Å; Y159-P234 WeakPolarHBondContact CD1-O 3.16Å; Y159-P234 HydrophobicContact CD2-CB 4.32Å; Y159-P234 HydrophobicContact CE1-CB 3.41Å; Y159-P234 VanDerWaalsContact CE1-CB 3.41Å; Y159-P234 HydrophobicContact CE2-CB 4.19Å; Y159-P234 HydrophobicContact CG-CB 3.98Å
160	R	84.2	Confident	80.5	Confident	188 Å²	188	65.7 Å²	65.7	71%	0.709	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	122.9	-178.6	-164.6	173.9	-175.2	-165.2	-8.3	108.6	G164	R160-G164 PolarHBondContact NE-O 2.91Å; R160-G164 VanDerWaalsContact NE-O 3.17Å
161	A	83.3	Confident	80.9	Confident	4 Å²	4	63 Å²	63	3%	0.033	32%	0.315	C	S	.	.			trans	-71.7	166.4	170	0	0	0	0	0	110.6	D163 G164 T165 Y167 N236	A161-D163 WeakPolarHBondContact CB-OD1 3.45Å; A161-D163 PolarHBondContact O-N 2.66Å; A161-G164 PolarHBondContact O-N 3.09Å; A161-T165 PolarHBondContact N-O 2.73Å; A161-Y167 HydrophobicContact CB-CD1 4.03Å; A161-Y167 HydrophobicContact CB-CE1 3.79Å; A161-N236 VanDerWaalsContact CA-O 3.27Å; A161-N236 WeakPolarHBondContact CA-O 3.16Å; A161-N236 WeakPolarHBondContact CB-O 3.5Å
162	Y	76.9	Confident	81.2	Confident	132 Å²	132	61.8 Å²	61.8	52%	0.518	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32	-177.6	-174.7	-95.2	0	0	0	112.7	R60 G164 F237	R60-Y162 HydrophobicContact CB-CD1 3.95Å; R60-Y162 HydrophobicContact CB-CD2 4.28Å; R60-Y162 HydrophobicContact CB-CE1 3.86Å; R60-Y162 HydrophobicContact CB-CE2 4.2Å; R60-Y162 HydrophobicContact CB-CG 4.15Å; R60-Y162 VanDerWaalsContact CD-CE2 3.44Å; R60-Y162 HydrophobicContact CG-CE2 4.41Å; Y162-G164 PolarHBondContact O-N 3.39Å; Y162-F237 PolarHBondContact N-O 2.75Å
163	D	75.8	Confident	81.7	Confident	91 Å²	91	61.1 Å²	61.1	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8	173.2	65.1	-5.8	0	0	0	113.8	A161 T165	A161-D163 WeakPolarHBondContact CB-OD1 3.45Å; A161-D163 PolarHBondContact O-N 2.66Å; D163-T165 VanDerWaalsContact OD1-CB 3.23Å; D163-T165 WeakPolarHBondContact OD1-CB 3.12Å; D163-T165 PolarHBondContact OD1-N 3.31Å; D163-T165 PolarHBondContact OD1-OG1 2.86Å; D163-T165 VanDerWaalsContact OD1-OG1 3.07Å; D163-T165 PolarHBondContact OD2-OG1 3.32Å
164	G	78.6	Confident	82.5	Confident	25 Å²	25	59.2 Å²	59.2	26%	0.258	29%	0.291	S	S	.	.	S	Bend	trans	91.1	-3.7	-177.8	0	0	0	0	0	114.3	R160 A161 Y162	R160-G164 PolarHBondContact NE-O 2.91Å; R160-G164 VanDerWaalsContact NE-O 3.17Å; A161-G164 PolarHBondContact O-N 3.09Å; Y162-G164 PolarHBondContact O-N 3.39Å
165	T	84.2	Confident	83	Confident	64 Å²	64	53.8 Å²	53.8	39%	0.393	27%	0.27	S	S	.	.			trans	-70.8	132.8	178.6	-50.4	0	0	0	0	110.2	A161 D163 A239	A161-T165 PolarHBondContact N-O 2.73Å; D163-T165 VanDerWaalsContact OD1-CB 3.23Å; D163-T165 WeakPolarHBondContact OD1-CB 3.12Å; D163-T165 PolarHBondContact OD1-N 3.31Å; D163-T165 PolarHBondContact OD1-OG1 2.86Å; D163-T165 VanDerWaalsContact OD1-OG1 3.07Å; D163-T165 PolarHBondContact OD2-OG1 3.32Å; T165-A239 HydrophobicContact CG2-CB 3.63Å
166	T	86.3	Confident	83.6	Confident	87 Å²	87	51.2 Å²	51.2	53%	0.534	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.4	175.6	53.8	0	0	0	0	110.9	Y159	Y159-T166 CarbonylContact O-C 3.56Å; Y159-T166 VanDerWaalsContact O-CA 3.26Å; Y159-T166 WeakPolarHBondContact O-CA 3.48Å
167	Y	87.5	Confident	83.9	Confident	11 Å²	11	52.2 Å²	52.2	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.8	178.1	71.1	-84.1	0	0	0	111.2	Y159 A161 V172 N233 P234 R235 N236 A239	Y159-Y167 PolarHBondContact N-O 3.15Å; Y159-Y167 PolarHBondContact O-N 3.12Å; A161-Y167 HydrophobicContact CB-CD1 4.03Å; A161-Y167 HydrophobicContact CB-CE1 3.79Å; Y167-V172 HydrophobicContact CD2-CG2 3.52Å; Y167-V172 HydrophobicContact CE2-CG2 3.99Å; Y167-V172 HydrophobicContact CG-CG2 4.42Å; Y167-N233 WeakPolarHBondContact CE2-O 3.33Å; Y167-N233 PolarHBondContact OH-O 3.38Å; Y167-P234 PolarHBondContact OH-O 3.41Å; Y167-R235 PolarHBondContact OH-N 3.18Å; Y167-N236 HydrophobicContact CE1-CB 4.31Å; Y167-N236 HydrophobicContact CE2-CB 4.49Å; Y167-N236 WeakPolarHBondContact OH-CB 3.39Å; Y167-N236 PolarHBondContact OH-N 3.14Å; Y167-A239 HydrophobicContact CD1-CB 4.1Å; Y167-A239 HydrophobicContact CG-CB 4.25Å
168	L	87.4	Confident	84	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-104.2	132.6	171	-69	169.8	0	0	0	108.9	L158 G170 I171 Y473	L158-L168 HydrophobicContact CD2-CD1 4.48Å; L158-L168 HydrophobicContact CD2-CD2 3.74Å; L158-L168 HydrophobicContact CD2-CG 3.68Å; L158-L168 HydrophobicContact CG-CD2 4.15Å; L168-G170 PolarHBondContact O-N 2.76Å; L168-I171 HydrophobicContact CB-CB 4Å; L168-I171 HydrophobicContact CB-CG1 3.92Å; L168-I171 HydrophobicContact CD1-CG1 4.45Å; L168-I171 CarbonylContact O-C 3.59Å; L168-I171 WeakPolarHBondContact O-CA 3.19Å; L168-I171 PolarHBondContact O-N 3.01Å; L168-Y473 HydrophobicContact CD1-CE2 3.71Å; L168-Y473 VanDerWaalsContact CD1-OH 3.3Å; L168-Y473 WeakPolarHBondContact CD1-OH 3.39Å
169	P	87.3	Confident	84.1	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.7	172.8	-27.7	35	0	0	0	110.8	Y159 I171 W232 P234	Y159-P169 HydrophobicContact CD2-CG 3.51Å; Y159-P169 HydrophobicContact CE2-CG 3.64Å; Y159-P169 HydrophobicContact CG-CG 4.31Å; P169-I171 PolarHBondContact O-N 3.35Å; P169-W232 HydrophobicContact CB-CE3 4Å; P169-W232 WeakPolarHBondContact O-CZ3 3.03Å; P169-P234 HydrophobicContact CG-CB 4.26Å
170	G	84.5	Confident	84.1	Confident	4 Å²	4	45.7 Å²	45.7	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-23.6	-174.1	0	0	0	0	0	114.8	L168 L231	L168-G170 PolarHBondContact O-N 2.76Å; G170-L231 PolarHBondContact N-O 3.32Å
171	I	89.6	Confident	84.3	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-103.8	69.1	173.7	-40.6	-62.3	0	0	0	108.5	L168 P169 V464 H466 Y473 M475 V480	L168-I171 HydrophobicContact CB-CB 4Å; L168-I171 HydrophobicContact CB-CG1 3.92Å; L168-I171 HydrophobicContact CD1-CG1 4.45Å; L168-I171 CarbonylContact O-C 3.59Å; L168-I171 WeakPolarHBondContact O-CA 3.19Å; L168-I171 PolarHBondContact O-N 3.01Å; P169-I171 PolarHBondContact O-N 3.35Å; I171-V464 HydrophobicContact CD1-CB 4.39Å; I171-V464 HydrophobicContact CD1-CG2 3.59Å; I171-H466 HydrophobicContact CD1-CB 4.17Å; I171-H466 HydrophobicContact CG1-CB 4.23Å; I171-Y473 HydrophobicContact CD1-CD2 4.27Å; I171-Y473 HydrophobicContact CG1-CD2 4.13Å; I171-Y473 HydrophobicContact CG2-CD1 4.08Å; I171-Y473 HydrophobicContact CG2-CD2 3.88Å; I171-Y473 HydrophobicContact CG2-CG 3.56Å; I171-M475 HydrophobicContact CB-SD 4.49Å; I171-M475 HydrophobicContact CG2-CG 4.46Å; I171-M475 HydrophobicContact CG2-SD 3.8Å; I171-V480 HydrophobicContact CG2-CG1 3.61Å
172	V	90	Very high	84.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.197	C	C	.	.			trans	-129.9	134.1	-172.2	174.5	0	0	0	0	108	Y167 Q188 L231 A239 V241	Y167-V172 HydrophobicContact CD2-CG2 3.52Å; Y167-V172 HydrophobicContact CE2-CG2 3.99Å; Y167-V172 HydrophobicContact CG-CG2 4.42Å; V172-Q188 PolarHBondContact O-NE2 3.23Å; V172-L231 HydrophobicContact CB-CD2 4.17Å; V172-L231 HydrophobicContact CG1-CD2 4.4Å; V172-A239 WeakPolarHBondContact CG1-O 3.46Å; V172-V241 HydrophobicContact CG1-CG2 3.99Å
173	G	89.3	Confident	85.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.2	-179.4	0	0	0	0	0	112.9	H240 V241 D477	G173-H240 CarbonylContact O-C 3.53Å; G173-H240 VanDerWaalsContact O-CA 3.23Å; G173-H240 WeakPolarHBondContact O-CA 3.49Å; G173-H240 WeakPolarHBondContact O-CB 3.39Å; G173-V241 PolarHBondContact O-N 2.88Å; G173-D477 CarbonylContact C-O 3.51Å; G173-D477 WeakPolarHBondContact CA-O 3.31Å
174	L	90.5	Very high	86.1	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.3	172	-76.8	176.3	0	0	0	110.7	N176 N184 L187 Q188 L227 L231 V241 P243 D477 L478	L174-N176 PolarHBondContact O-N 3.35Å; L174-N184 HydrophobicContact CB-CB 4.11Å; L174-N184 HydrophobicContact CD1-CB 3.97Å; L174-L187 HydrophobicContact CD1-CB 4.35Å; L174-Q188 HydrophobicContact CD1-CG 3.75Å; L174-Q188 HydrophobicContact CG-CG 4.37Å; L174-L227 HydrophobicContact CD2-CD1 4.07Å; L174-L231 HydrophobicContact CD2-CD2 3.84Å; L174-L231 HydrophobicContact CG-CD2 4.32Å; L174-V241 WeakPolarHBondContact CA-O 3.41Å; L174-V241 HydrophobicContact CD2-CB 4.24Å; L174-V241 HydrophobicContact CD2-CG1 4.48Å; L174-V241 WeakPolarHBondContact CD2-O 3.22Å; L174-P243 HydrophobicContact CB-CG 4.31Å; L174-P243 HydrophobicContact CD2-CB 4.11Å; L174-P243 HydrophobicContact CD2-CG 4.14Å; L174-D477 PolarHBondContact N-O 3.23Å; L174-D477 CarbonylContact O-C 3.46Å; L174-D477 VanDerWaalsContact O-CA 3.23Å; L174-D477 WeakPolarHBondContact O-CA 3.15Å; L174-D477 WeakPolarHBondContact O-CB 3.48Å; L174-L478 PolarHBondContact O-N 2.91Å
175	N	88.4	Confident	86.8	Confident	52 Å²	52	25.8 Å²	25.8	28%	0.278	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-67.8	130.5	-179.2	-162	6	0	0	0	112.2	I177 N180 N184 V241 L478	N175-I177 PolarHBondContact O-N 3.28Å; N175-N180 PolarHBondContact O-ND2 3.32Å; N175-N180 VanDerWaalsContact O-ND2 3.17Å; N175-N184 PolarHBondContact O-ND2 3.25Å; N175-V241 PolarHBondContact N-O 3.42Å; N175-L478 HydrophobicContact CB-CD2 4.2Å
176	N	82.9	Confident	87.3	Confident	54 Å²	54	22.8 Å²	22.8	29%	0.289	12%	0.122	S	C	.	.			trans	-85.6	109.7	170.5	-168	-20.1	0	0	0	109.1	L174 K178 N180 D477	L174-N176 PolarHBondContact O-N 3.35Å; N176-K178 WeakPolarHBondContact OD1-CA 3.36Å; N176-K178 PolarHBondContact OD1-N 3.17Å; N176-K178 VanDerWaalsContact OD1-N 3.08Å; N176-K178 PolarHBondContact OD1-O 3.35Å; N176-N180 VanDerWaalsContact CA-OD1 3.31Å; N176-N180 WeakPolarHBondContact CA-OD1 3.41Å; N176-N180 PolarHBondContact OD1-OD1 2.88Å; N176-D477 HydrophobicContact CB-CB 3.9Å; N176-D477 WeakPolarHBondContact CB-OD2 3.19Å; N176-D477 PolarHBondContact ND2-OD2 2.73Å
177	I	75.6	Confident	87.7	Confident	56 Å²	56	18.7 Å²	18.7	29%	0.287	10%	0.096	S	C	.	.	S	Bend	trans	-81.1	-34.1	-177	-60.6	162.8	0	0	0	109.6	N175 N180 H244 L247 I260	N175-I177 PolarHBondContact O-N 3.28Å; I177-N180 PolarHBondContact N-OD1 3.08Å; I177-H244 HydrophobicContact CD1-CB 3.8Å; I177-L247 HydrophobicContact CD1-CD1 3.92Å; I177-I260 HydrophobicContact CB-CG2 3.82Å; I177-I260 HydrophobicContact CD1-CG2 4.39Å; I177-I260 HydrophobicContact CG2-CG2 3.76Å
178	K	79.6	Confident	88	Confident	147 Å²	147	18.4 Å²	18.4	64%	0.639	10%	0.095	S	C	*	.	S	Bend	trans	-163.7	-70.6	171.6	-69.4	-162.9	179.3	-179.4	0	111.4	N176 T261	N176-K178 WeakPolarHBondContact OD1-CA 3.36Å; N176-K178 PolarHBondContact OD1-N 3.17Å; N176-K178 VanDerWaalsContact OD1-N 3.08Å; N176-K178 PolarHBondContact OD1-O 3.35Å; K178-T261 HydrophobicContact CD-CG2 4.12Å
179	A	81.7	Confident	88.3	Confident	23 Å²	23	18.2 Å²	18.2	19%	0.19	10%	0.095	C	C	.	.	S	Bend	trans	-141.4	45.8	-173.1	0	0	0	0	0	110.3	Y182 I260 Q263	A179-Y182 WeakPolarHBondContact O-CD1 3.49Å; A179-Y182 VanDerWaalsContact O-CE1 3.25Å; A179-Y182 WeakPolarHBondContact O-CE1 3.48Å; A179-I260 PolarHBondContact N-O 3.14Å; A179-Q263 HydrophobicContact CB-CB 4.11Å; A179-Q263 WeakPolarHBondContact O-CA 3.2Å
180	N	83.6	Confident	88.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.			trans	-107.3	11.1	-176.7	62.6	-36.2	0	0	0	113.1	N175 N176 I177 Y182 A183 N184 L247	N175-N180 PolarHBondContact O-ND2 3.32Å; N175-N180 VanDerWaalsContact O-ND2 3.17Å; N176-N180 VanDerWaalsContact CA-OD1 3.31Å; N176-N180 WeakPolarHBondContact CA-OD1 3.41Å; N176-N180 PolarHBondContact OD1-OD1 2.88Å; I177-N180 PolarHBondContact N-OD1 3.08Å; N180-Y182 VanDerWaalsContact C-N 3.28Å; N180-Y182 PolarHBondContact O-N 3.49Å; N180-A183 PolarHBondContact O-N 3.36Å; N180-N184 PolarHBondContact O-N 3.19Å; N180-N184 PolarHBondContact O-OD1 2.85Å; N180-L247 HydrophobicContact CB-CD1 3.79Å; N180-L247 HydrophobicContact CB-CD2 4.46Å; N180-L247 WeakPolarHBondContact ND2-CD1 3.5Å
181	D	87.5	Confident	89	Confident	10 Å²	10	17.8 Å²	17.8	5%	0.053	9%	0.091	C	C	.	.	H	α-helix	trans	-55.4	-38.5	178.2	61.2	-19.6	0	0	0	113.1	A183 N184 A185 Q263 S459 Y460	D181-A183 VanDerWaalsContact C-N 3.29Å; D181-A183 PolarHBondContact O-N 2.85Å; D181-N184 PolarHBondContact O-N 3.17Å; D181-A185 WeakPolarHBondContact O-CB 3.31Å; D181-A185 PolarHBondContact O-N 3.38Å; D181-Q263 WeakPolarHBondContact OD1-CG 3.36Å; D181-Q263 PolarHBondContact OD1-NE2 2.78Å; D181-Q263 PolarHBondContact OD2-NE2 2.8Å; D181-S459 VanDerWaalsContact OD2-CA 3.25Å; D181-S459 WeakPolarHBondContact OD2-CA 3.39Å; D181-Y460 PolarHBondContact OD2-N 2.95Å
182	Y	90.4	Very high	89.1	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-57.2	-42.4	174	72	-85.3	0	0	0	112.1	A179 N180 V186 F258 Q259 Q263 G264 F269	A179-Y182 WeakPolarHBondContact O-CD1 3.49Å; A179-Y182 VanDerWaalsContact O-CE1 3.25Å; A179-Y182 WeakPolarHBondContact O-CE1 3.48Å; N180-Y182 VanDerWaalsContact C-N 3.28Å; N180-Y182 PolarHBondContact O-N 3.49Å; Y182-V186 WeakPolarHBondContact O-CG2 3.38Å; Y182-V186 PolarHBondContact O-N 3.41Å; Y182-F258 HydrophobicContact CE2-CD1 4.15Å; Y182-Q259 PolarHBondContact OH-O 3.31Å; Y182-Q263 HydrophobicContact CD1-CG 3.86Å; Y182-G264 WeakPolarHBondContact CB-O 3.38Å; Y182-G264 VanDerWaalsContact CD1-N 3.32Å; Y182-F269 HydrophobicContact CD2-CB 3.79Å; Y182-F269 HydrophobicContact CD2-CD1 4.32Å; Y182-F269 AromaticContact CD2-CG 4Å; Y182-F269 HydrophobicContact CD2-CG 4Å; Y182-F269 HydrophobicContact CE2-CB 3.84Å; Y182-F269 HydrophobicContact CE2-CD1 4.48Å; Y182-F269 HydrophobicContact CE2-CD2 4.07Å; Y182-F269 AromaticContact CE2-CG 3.86Å; Y182-F269 HydrophobicContact CE2-CG 3.86Å
183	A	91.5	Very high	89.2	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-75.7	-40	179.1	0	0	0	0	0	110.7	N180 D181 A185 V186 L187 L247 F269	N180-A183 PolarHBondContact O-N 3.36Å; D181-A183 VanDerWaalsContact C-N 3.29Å; D181-A183 PolarHBondContact O-N 2.85Å; A183-A185 PolarHBondContact O-N 3.18Å; A183-V186 PolarHBondContact O-N 3.36Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CG 3.25Å; A183-L187 PolarHBondContact O-N 3.27Å; A183-L247 HydrophobicContact CB-CD2 3.67Å; A183-F269 HydrophobicContact CB-CD1 4.17Å; A183-F269 HydrophobicContact CB-CE1 3.78Å; A183-F269 HydrophobicContact CB-CE2 4.45Å; A183-F269 HydrophobicContact CB-CZ 3.93Å
184	N	92.6	Very high	89.3	Confident	5 Å²	5	18 Å²	18	3%	0.027	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-49.7	175.7	-68.9	-9.3	0	0	0	110.8	L174 N175 N180 D181 V186 L187 Q188 P243 D477	L174-N184 HydrophobicContact CB-CB 4.11Å; L174-N184 HydrophobicContact CD1-CB 3.97Å; N175-N184 PolarHBondContact O-ND2 3.25Å; N180-N184 PolarHBondContact O-N 3.19Å; N180-N184 PolarHBondContact O-OD1 2.85Å; D181-N184 PolarHBondContact O-N 3.17Å; N184-V186 PolarHBondContact O-N 3.17Å; N184-L187 PolarHBondContact O-N 3.41Å; N184-Q188 WeakPolarHBondContact O-CB 3.45Å; N184-Q188 WeakPolarHBondContact O-CG 3.39Å; N184-Q188 PolarHBondContact O-N 3.3Å; N184-P243 WeakPolarHBondContact OD1-CG 3.21Å; N184-D477 PolarHBondContact ND2-OD1 3.06Å
185	A	93.4	Very high	89.3	Confident	4 Å²	4	20.2 Å²	20.2	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-58.4	-46.3	177.9	0	0	0	0	0	111.7	D181 A183 Q188 A189 I449 I462	D181-A185 WeakPolarHBondContact O-CB 3.31Å; D181-A185 PolarHBondContact O-N 3.38Å; A183-A185 PolarHBondContact O-N 3.18Å; A185-Q188 PolarHBondContact O-N 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.34Å; A185-I449 HydrophobicContact CB-CD1 4.25Å; A185-I449 HydrophobicContact CB-CG1 4.2Å; A185-I449 HydrophobicContact CB-CG2 3.87Å; A185-I462 HydrophobicContact CB-CB 4.38Å; A185-I462 WeakPolarHBondContact O-CD1 3.25Å
186	V	94.7	Very high	89.4	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-43.1	178.6	171.5	0	0	0	0	112.4	Y182 A183 N184 Q188 A189 F190 A266 F269 M270 I449 I495	Y182-V186 WeakPolarHBondContact O-CG2 3.38Å; Y182-V186 PolarHBondContact O-N 3.41Å; A183-V186 PolarHBondContact O-N 3.36Å; N184-V186 PolarHBondContact O-N 3.17Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; V186-Q188 PolarHBondContact O-N 3.01Å; V186-A189 WeakPolarHBondContact O-CB 3.15Å; V186-A189 PolarHBondContact O-N 2.98Å; V186-F190 HydrophobicContact CG1-CD2 3.71Å; V186-F190 HydrophobicContact CG1-CE2 3.33Å; V186-F190 HydrophobicContact CG1-CZ 4.16Å; V186-F190 VanDerWaalsContact O-CD2 3.32Å; V186-F190 WeakPolarHBondContact O-CD2 3.33Å; V186-F190 PolarHBondContact O-N 3.04Å; V186-A266 HydrophobicContact CG2-CB 3.94Å; V186-F269 HydrophobicContact CB-CD1 3.78Å; V186-F269 HydrophobicContact CB-CE1 3.88Å; V186-F269 HydrophobicContact CG1-CD1 3.81Å; V186-F269 HydrophobicContact CG1-CE1 3.79Å; V186-F269 HydrophobicContact CG2-CD1 4.03Å; V186-M270 HydrophobicContact CG1-CB 3.98Å; V186-M270 HydrophobicContact CG1-CG 4.07Å; V186-M270 HydrophobicContact CG2-CB 4.2Å; V186-I449 HydrophobicContact CB-CD1 4.47Å; V186-I449 HydrophobicContact CG2-CD1 3.86Å; V186-I495 HydrophobicContact CG2-CD1 4.35Å
187	L	94.2	Very high	89.9	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-39	177.9	-69.2	168.8	0	0	0	111.3	L174 A183 N184 F190 S191 F224 L227 M246 F273	L174-L187 HydrophobicContact CD1-CB 4.35Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CG 3.25Å; A183-L187 PolarHBondContact O-N 3.27Å; N184-L187 PolarHBondContact O-N 3.41Å; L187-F190 PolarHBondContact O-N 2.89Å; L187-S191 VanDerWaalsContact O-CB 3.31Å; L187-S191 WeakPolarHBondContact O-CB 3.5Å; L187-S191 PolarHBondContact O-N 3.47Å; L187-F224 HydrophobicContact CD2-CD2 3.74Å; L187-F224 HydrophobicContact CD2-CE2 3.63Å; L187-L227 HydrophobicContact CB-CD2 4.44Å; L187-L227 HydrophobicContact CD1-CD2 3.83Å; L187-L227 HydrophobicContact CD2-CD2 4.34Å; L187-L227 HydrophobicContact CG-CD2 4.44Å; L187-M246 HydrophobicContact CD1-CG 4.12Å; L187-M246 HydrophobicContact CD2-CE 3.94Å; L187-M246 HydrophobicContact CD2-CG 4.36Å; L187-F273 HydrophobicContact CD2-CE1 4.32Å; L187-F273 HydrophobicContact CD2-CZ 4.07Å
188	Q	93.5	Very high	90.6	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	8%	0.078	C	C	.	.	H	α-helix	trans	-68.2	-39.4	175.5	-68.1	-73.2	26.9	0	0	112.5	V172 L174 N184 A185 V186 F190 S191 N192 I462 M475	V172-Q188 PolarHBondContact O-NE2 3.23Å; L174-Q188 HydrophobicContact CD1-CG 3.75Å; L174-Q188 HydrophobicContact CG-CG 4.37Å; N184-Q188 WeakPolarHBondContact O-CB 3.45Å; N184-Q188 WeakPolarHBondContact O-CG 3.39Å; N184-Q188 PolarHBondContact O-N 3.3Å; A185-Q188 PolarHBondContact O-N 3.31Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; V186-Q188 PolarHBondContact O-N 3.01Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.3Å; Q188-S191 WeakPolarHBondContact O-CB 3.32Å; Q188-S191 PolarHBondContact O-N 2.79Å; Q188-N192 PolarHBondContact O-N 2.92Å; Q188-I462 HydrophobicContact CB-CD1 4.02Å; Q188-I462 HydrophobicContact CB-CG2 3.99Å; Q188-M475 HydrophobicContact CB-CE 3.55Å; Q188-M475 HydrophobicContact CG-CE 3.49Å; Q188-M475 VanDerWaalsContact CG-CE 3.49Å
189	A	94.3	Very high	91.1	Very high	3 Å²	3	9.9 Å²	9.9	3%	0.025	6%	0.057	C	C	.	.	H	α-helix	trans	-59.5	-45.7	175.2	0	0	0	0	0	111	A185 V186 S191 N192 A447 I449 I462 I497	A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.34Å; V186-A189 WeakPolarHBondContact O-CB 3.15Å; V186-A189 PolarHBondContact O-N 2.98Å; A189-S191 VanDerWaalsContact C-N 3.35Å; A189-N192 PolarHBondContact O-N 3.4Å; A189-A447 HydrophobicContact CB-CB 4.13Å; A189-I449 HydrophobicContact CB-CD1 3.85Å; A189-I449 HydrophobicContact CB-CG1 4.2Å; A189-I462 VanDerWaalsContact CA-CD1 3.44Å; A189-I462 HydrophobicContact CB-CD1 3.52Å; A189-I462 VanDerWaalsContact N-CD1 3.28Å; A189-I497 HydrophobicContact CB-CD1 3.66Å; A189-I497 HydrophobicContact CB-CG1 4.49Å
190	F	93.4	Very high	91.5	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-71.4	-29	176.3	-67.9	-35.2	0	0	0	113.7	V186 L187 Q188 N192 V193 L196 F224 M270 F273 L274 F295 I397 I497	V186-F190 HydrophobicContact CG1-CD2 3.71Å; V186-F190 HydrophobicContact CG1-CE2 3.33Å; V186-F190 HydrophobicContact CG1-CZ 4.16Å; V186-F190 VanDerWaalsContact O-CD2 3.32Å; V186-F190 WeakPolarHBondContact O-CD2 3.33Å; V186-F190 PolarHBondContact O-N 3.04Å; L187-F190 PolarHBondContact O-N 2.89Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.3Å; F190-N192 PolarHBondContact O-N 2.95Å; F190-V193 PolarHBondContact O-N 2.93Å; F190-L196 HydrophobicContact CB-CD2 3.75Å; F190-L196 HydrophobicContact CD1-CD2 4.22Å; F190-L196 HydrophobicContact CG-CD2 4.13Å; F190-F224 HydrophobicContact CB-CZ 4.09Å; F190-M270 HydrophobicContact CE1-CG 4.37Å; F190-M270 HydrophobicContact CE2-CG 3.88Å; F190-M270 HydrophobicContact CZ-CG 3.36Å; F190-M270 HydrophobicContact CZ-SD 4.12Å; F190-F273 AromaticContact CD2-CD1 3.84Å; F190-F273 HydrophobicContact CD2-CD1 3.84Å; F190-F273 AromaticContact CD2-CE1 3.88Å; F190-F273 HydrophobicContact CD2-CE1 3.88Å; F190-F273 AromaticContact CE2-CD1 3.64Å; F190-F273 HydrophobicContact CE2-CD1 3.64Å; F190-F273 HydrophobicContact CE2-CE1 4.17Å; F190-L274 HydrophobicContact CE1-CD1 4.45Å; F190-L274 HydrophobicContact CE1-CD2 3.91Å; F190-L274 HydrophobicContact CE1-CG 4.42Å; F190-L274 HydrophobicContact CE2-CD2 4.13Å; F190-L274 HydrophobicContact CE2-CG 4.3Å; F190-L274 HydrophobicContact CZ-CD1 3.94Å; F190-L274 HydrophobicContact CZ-CD2 3.54Å; F190-L274 HydrophobicContact CZ-CG 3.69Å; F190-F295 HydrophobicContact CD1-CE2 4.47Å; F190-F295 AromaticContact CD1-CZ 3.98Å; F190-F295 HydrophobicContact CD1-CZ 3.98Å; F190-F295 HydrophobicContact CE1-CE2 4.4Å; F190-F295 HydrophobicContact CE1-CZ 4.06Å; F190-I397 HydrophobicContact CE1-CD1 4Å; F190-I497 HydrophobicContact CD1-CD1 4.07Å; F190-I497 HydrophobicContact CE1-CD1 4.23Å
191	S	92.5	Very high	91.8	Very high	1 Å²	1	9 Å²	9	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-60	-38	174.6	-176.5	0	0	0	0	112	L187 Q188 A189 V193 M228 W232	L187-S191 VanDerWaalsContact O-CB 3.31Å; L187-S191 WeakPolarHBondContact O-CB 3.5Å; L187-S191 PolarHBondContact O-N 3.47Å; Q188-S191 WeakPolarHBondContact O-CB 3.32Å; Q188-S191 PolarHBondContact O-N 2.79Å; A189-S191 VanDerWaalsContact C-N 3.35Å; S191-V193 VanDerWaalsContact C-N 3.26Å; S191-V193 PolarHBondContact O-N 3.02Å; S191-M228 VanDerWaalsContact CA-CE 3.46Å; S191-W232 WeakPolarHBondContact O-CZ2 3.41Å; S191-W232 PolarHBondContact O-NE1 3.27Å; S191-W232 PolarHBondContact OG-NE1 2.8Å
192	N	90.4	Very high	91.8	Very high	4 Å²	4	10 Å²	10	2%	0.021	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	15.7	179.8	-157.4	43.1	0	0	0	114.1	Q188 A189 F190 P194 V446 V464 L465 H467	Q188-N192 PolarHBondContact O-N 2.92Å; A189-N192 PolarHBondContact O-N 3.4Å; F190-N192 PolarHBondContact O-N 2.95Å; N192-P194 VanDerWaalsContact O-CD 3.23Å; N192-P194 WeakPolarHBondContact O-CD 3.43Å; N192-V446 PolarHBondContact ND2-O 3.27Å; N192-V464 HydrophobicContact CB-CG1 4.42Å; N192-L465 PolarHBondContact ND2-O 3.17Å; N192-L465 PolarHBondContact OD1-O 3.08Å; N192-H467 PolarHBondContact O-CE1 2.76Å; N192-H467 VanDerWaalsContact O-CE1 3.3Å; N192-H467 PolarHBondContact OD1-CE1 2.99Å; N192-H467 PolarHBondContact OD1-ND1 2.85Å
193	V	93.1	Very high	91.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-101.2	100.9	174.1	175.3	0	0	0	0	109.3	F190 S191 L196 R197 V294 F295 Y395 I497	F190-V193 PolarHBondContact O-N 2.93Å; S191-V193 VanDerWaalsContact C-N 3.26Å; S191-V193 PolarHBondContact O-N 3.02Å; V193-L196 HydrophobicContact CB-CB 4.08Å; V193-L196 HydrophobicContact CG1-CB 3.84Å; V193-L196 PolarHBondContact O-N 3.47Å; V193-L196 VanDerWaalsContact O-N 3.12Å; V193-R197 WeakPolarHBondContact O-CB 3.45Å; V193-R197 PolarHBondContact O-N 2.87Å; V193-V294 HydrophobicContact CG1-CG1 3.79Å; V193-F295 HydrophobicContact CB-CZ 4.34Å; V193-F295 HydrophobicContact CG1-CE1 4.27Å; V193-F295 HydrophobicContact CG1-CZ 3.88Å; V193-F295 HydrophobicContact CG2-CE1 4.28Å; V193-F295 HydrophobicContact CG2-CZ 4.05Å; V193-Y395 HydrophobicContact CB-CD1 4.44Å; V193-Y395 HydrophobicContact CB-CE1 4.47Å; V193-Y395 HydrophobicContact CG1-CD1 3.73Å; V193-Y395 HydrophobicContact CG1-CD2 4.12Å; V193-Y395 HydrophobicContact CG1-CE1 3.89Å; V193-Y395 HydrophobicContact CG1-CE2 4.31Å; V193-Y395 HydrophobicContact CG1-CG 3.85Å; V193-Y395 HydrophobicContact CG2-CD1 4.15Å; V193-Y395 HydrophobicContact CG2-CE1 4.48Å; V193-I497 HydrophobicContact CG2-CD1 4.08Å; V193-I497 HydrophobicContact CG2-CG2 4Å
194	P	90.8	Very high	91.2	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.052	10%	0.097	C	C	.	.	H	α-helix	trans	-50.2	-47.7	-171.1	-28	27.7	0	0	0	116	N192 L196 R197 N198 Y395	N192-P194 VanDerWaalsContact O-CD 3.23Å; N192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-L196 VanDerWaalsContact C-N 3.35Å; P194-L196 PolarHBondContact O-N 2.67Å; P194-R197 PolarHBondContact O-N 3.33Å; P194-N198 VanDerWaalsContact O-CB 3.26Å; P194-N198 WeakPolarHBondContact O-CB 3.37Å; P194-N198 PolarHBondContact O-N 3.19Å; P194-N198 PolarHBondContact O-ND2 2.83Å; P194-N198 PolarHBondContact O-OD1 3.26Å; P194-Y395 VanDerWaalsContact CD-OH 3.29Å; P194-Y395 WeakPolarHBondContact CD-OH 3.32Å
195	P	91.1	Very high	90.7	Very high	46 Å²	46	22.3 Å²	22.3	30%	0.299	11%	0.113	S	C	.	.	H	α-helix	trans	-68.6	-35.6	-177.8	-18.7	32.1	0	0	0	112.8	Y199 V294 Y395	P195-Y199 PolarHBondContact O-N 2.84Å; P195-V294 HydrophobicContact CB-CG2 3.74Å; P195-V294 HydrophobicContact CG-CG2 4.46Å; P195-Y395 VanDerWaalsContact CD-CE2 3.42Å; P195-Y395 WeakPolarHBondContact CD-OH 3.45Å; P195-Y395 HydrophobicContact CG-CD2 4.23Å; P195-Y395 HydrophobicContact CG-CE2 3.48Å; P195-Y395 VanDerWaalsContact CG-CE2 3.48Å
196	L	91.3	Very high	90.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.7	-49.3	175.7	-174.2	68.9	0	0	0	109.9	F190 V193 P194 N198 Y199 F200 F224 I290 I291 F295	F190-L196 HydrophobicContact CB-CD2 3.75Å; F190-L196 HydrophobicContact CD1-CD2 4.22Å; F190-L196 HydrophobicContact CG-CD2 4.13Å; V193-L196 HydrophobicContact CB-CB 4.08Å; V193-L196 HydrophobicContact CG1-CB 3.84Å; V193-L196 PolarHBondContact O-N 3.47Å; V193-L196 VanDerWaalsContact O-N 3.12Å; P194-L196 VanDerWaalsContact C-N 3.35Å; P194-L196 PolarHBondContact O-N 2.67Å; L196-N198 PolarHBondContact O-N 2.85Å; L196-Y199 WeakPolarHBondContact O-CB 3.32Å; L196-Y199 PolarHBondContact O-N 2.85Å; L196-F200 HydrophobicContact CD1-CD2 3.95Å; L196-F200 HydrophobicContact CD1-CE2 3.62Å; L196-F200 HydrophobicContact CG-CD2 4.1Å; L196-F200 HydrophobicContact CG-CE2 4.21Å; L196-F200 VanDerWaalsContact O-CD2 3.29Å; L196-F200 WeakPolarHBondContact O-CD2 3.41Å; L196-F200 PolarHBondContact O-N 3.4Å; L196-F224 HydrophobicContact CD2-CE1 4.43Å; L196-F224 HydrophobicContact CD2-CZ 4.48Å; L196-I290 HydrophobicContact CD1-CG2 4.29Å; L196-I291 HydrophobicContact CD1-CD1 3.51Å; L196-F295 HydrophobicContact CD2-CE2 4.06Å; L196-F295 HydrophobicContact CD2-CZ 4.27Å
197	R	91.9	Very high	89.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.9	-54.8	175.5	177.4	-161.7	68	-157.9	-5.2	111.3	D153 V193 P194 Y199 F200 L201 M228 W232	D153-R197 IonicContact OD1-CZ 3.55Å; D153-R197 VanDerWaalsContact OD1-CZ 3.27Å; D153-R197 IonicContact OD1-NH1 2.66Å; D153-R197 PolarHBondContact OD1-NH1 3.12Å; D153-R197 IonicContact OD1-NH2 2.67Å; D153-R197 PolarHBondContact OD1-NH2 2.85Å; D153-R197 IonicContact OD2-CZ 3.51Å; D153-R197 IonicContact OD2-NH1 3.66Å; D153-R197 IonicContact OD2-NH2 2.83Å; D153-R197 PolarHBondContact OD2-NH2 3.37Å; V193-R197 WeakPolarHBondContact O-CB 3.45Å; V193-R197 PolarHBondContact O-N 2.87Å; P194-R197 PolarHBondContact O-N 3.33Å; R197-Y199 PolarHBondContact O-N 2.96Å; R197-F200 CarbonylContact O-C 3.52Å; R197-F200 PolarHBondContact O-N 3.2Å; R197-L201 HydrophobicContact CG-CD1 3.74Å; R197-L201 HydrophobicContact CG-CD2 4.49Å; R197-L201 HydrophobicContact CG-CG 3.94Å; R197-L201 WeakPolarHBondContact O-CG 3.29Å; R197-L201 PolarHBondContact O-N 2.84Å; R197-M228 VanDerWaalsContact CA-CE 3.47Å; R197-M228 HydrophobicContact CB-CE 3.56Å; R197-M228 HydrophobicContact CG-CE 3.63Å; R197-W232 VanDerWaalsContact CD-CD2 3.47Å; R197-W232 VanDerWaalsContact CD-CZ2 3.46Å; R197-W232 HydrophobicContact CG-CD2 4.35Å; R197-W232 HydrophobicContact CG-CG 4.31Å
198	N	90.9	Very high	88.6	Confident	47 Å²	47	34 Å²	34	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-57.8	-37.3	-176	-64.7	-2.6	0	0	0	111.6	I149 P194 L196	I149-N198 HydrophobicContact CG2-CB 3.7Å; I149-N198 WeakPolarHBondContact CG2-OD1 3.45Å; P194-N198 VanDerWaalsContact O-CB 3.26Å; P194-N198 WeakPolarHBondContact O-CB 3.37Å; P194-N198 PolarHBondContact O-N 3.19Å; P194-N198 PolarHBondContact O-ND2 2.83Å; P194-N198 PolarHBondContact O-OD1 3.26Å; L196-N198 PolarHBondContact O-N 2.85Å
199	Y	90.1	Very high	87.8	Confident	46 Å²	46	35.5 Å²	35.5	18%	0.18	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-43.2	174.6	-175.4	-89.6	0	0	0	112.6	P195 L196 R197 N205 Y206 L281 I290	P195-Y199 PolarHBondContact O-N 2.84Å; L196-Y199 WeakPolarHBondContact O-CB 3.32Å; L196-Y199 PolarHBondContact O-N 2.85Å; R197-Y199 PolarHBondContact O-N 2.96Å; Y199-N205 HydrophobicContact CD2-CB 3.98Å; Y199-N205 HydrophobicContact CE1-CB 4.45Å; Y199-N205 HydrophobicContact CE2-CB 3.8Å; Y199-N205 HydrophobicContact CG-CB 4.4Å; Y199-N205 PolarHBondContact O-ND2 3.27Å; Y199-N205 PolarHBondContact OH-O 3.23Å; Y199-N205 VanDerWaalsContact OH-O 3.05Å; Y199-Y206 HydrophobicContact CE1-CD1 4.23Å; Y199-L281 HydrophobicContact CE1-CD1 4.4Å; Y199-L281 HydrophobicContact CE1-CD2 3.8Å; Y199-I290 HydrophobicContact CD1-CB 4.4Å; Y199-I290 HydrophobicContact CD1-CG2 3.84Å; Y199-I290 HydrophobicContact CD2-CB 4.03Å; Y199-I290 HydrophobicContact CD2-CD1 4.4Å; Y199-I290 HydrophobicContact CD2-CG1 4.12Å; Y199-I290 HydrophobicContact CD2-CG2 4.35Å; Y199-I290 HydrophobicContact CE1-CG2 4.01Å; Y199-I290 HydrophobicContact CE2-CB 4.28Å; Y199-I290 HydrophobicContact CE2-CG2 4.48Å; Y199-I290 HydrophobicContact CG-CB 4.08Å; Y199-I290 HydrophobicContact CG-CG1 3.96Å; Y199-I290 HydrophobicContact CG-CG2 4.01Å
200	F	90.9	Very high	86.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-83.4	-17.2	-177.3	-81	-73.8	0	0	0	114.7	L196 R197 E202 Y206 V221 F224 M228 L277 L281	L196-F200 HydrophobicContact CD1-CD2 3.95Å; L196-F200 HydrophobicContact CD1-CE2 3.62Å; L196-F200 HydrophobicContact CG-CD2 4.1Å; L196-F200 HydrophobicContact CG-CE2 4.21Å; L196-F200 VanDerWaalsContact O-CD2 3.29Å; L196-F200 WeakPolarHBondContact O-CD2 3.41Å; L196-F200 PolarHBondContact O-N 3.4Å; R197-F200 CarbonylContact O-C 3.52Å; R197-F200 PolarHBondContact O-N 3.2Å; F200-E202 VanDerWaalsContact C-N 3.31Å; F200-Y206 HydrophobicContact CD1-CD1 4.37Å; F200-Y206 HydrophobicContact CD1-CE1 4.18Å; F200-V221 HydrophobicContact CE1-CB 4.5Å; F200-V221 HydrophobicContact CE1-CG1 3.72Å; F200-V221 HydrophobicContact CZ-CG1 4.41Å; F200-F224 AromaticContact CD1-CD1 3.7Å; F200-F224 HydrophobicContact CD1-CD1 3.7Å; F200-F224 HydrophobicContact CD1-CE1 4.36Å; F200-F224 AromaticContact CD2-CD1 3.68Å; F200-F224 HydrophobicContact CD2-CD1 3.68Å; F200-F224 AromaticContact CD2-CE1 3.51Å; F200-F224 HydrophobicContact CD2-CE1 3.51Å; F200-F224 AromaticContact CE1-CD1 3.63Å; F200-F224 HydrophobicContact CE1-CD1 3.63Å; F200-F224 HydrophobicContact CE1-CE1 4.42Å; F200-F224 AromaticContact CE2-CD1 3.64Å; F200-F224 HydrophobicContact CE2-CD1 3.64Å; F200-F224 AromaticContact CE2-CE1 3.62Å; F200-F224 HydrophobicContact CE2-CE1 3.62Å; F200-F224 AromaticContact CG-CD1 3.72Å; F200-F224 HydrophobicContact CG-CD1 3.72Å; F200-F224 AromaticContact CG-CE1 3.92Å; F200-F224 HydrophobicContact CG-CE1 3.92Å; F200-F224 AromaticContact CZ-CD1 3.62Å; F200-F224 HydrophobicContact CZ-CD1 3.62Å; F200-F224 HydrophobicContact CZ-CE1 4.09Å; F200-M228 HydrophobicContact CB-CB 4.16Å; F200-M228 HydrophobicContact CB-CG 4.02Å; F200-L277 HydrophobicContact CZ-CD1 4.37Å; F200-L277 HydrophobicContact CZ-CD2 4.24Å; F200-L281 HydrophobicContact CZ-CD1 4.28Å
201	L	89.4	Confident	85.6	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-70.8	-28	172.6	-70	179.4	0	0	0	112.4	F144 I149 L152 R197 R229 W232	F144-L201 HydrophobicContact CB-CB 4.33Å; F144-L201 HydrophobicContact CD1-CD1 4.48Å; F144-L201 HydrophobicContact CD2-CB 4.16Å; F144-L201 HydrophobicContact CD2-CD2 3.87Å; F144-L201 HydrophobicContact CD2-CG 4.45Å; F144-L201 HydrophobicContact CE2-CD2 3.73Å; F144-L201 HydrophobicContact CG-CB 4.31Å; F144-L201 HydrophobicContact CG-CD1 4.43Å; F144-L201 HydrophobicContact CG-CD2 4.38Å; F144-L201 HydrophobicContact CZ-CD2 4.12Å; I149-L201 HydrophobicContact CD1-CB 4.02Å; I149-L201 HydrophobicContact CG1-CB 4.46Å; I149-L201 HydrophobicContact CG1-CD1 4.11Å; L152-L201 HydrophobicContact CD2-CD1 3.99Å; R197-L201 HydrophobicContact CG-CD1 3.74Å; R197-L201 HydrophobicContact CG-CD2 4.49Å; R197-L201 HydrophobicContact CG-CG 3.94Å; R197-L201 WeakPolarHBondContact O-CG 3.29Å; R197-L201 PolarHBondContact O-N 2.84Å; L201-R229 HydrophobicContact CD2-CG 3.98Å; L201-R229 WeakPolarHBondContact O-CD 3.22Å; L201-W232 HydrophobicContact CD2-CB 4.01Å; L201-W232 HydrophobicContact CD2-CG 4.47Å
202	E	88.2	Confident	84.8	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.145	27%	0.266	C	S	.	.			trans	-100.4	110.1	176.1	-71	-176	164.6	0	0	110.9	K146 I149 F200 E204 N205 Y206	K146-E202 VanDerWaalsContact CE-OE1 3.31Å; K146-E202 WeakPolarHBondContact CE-OE1 3.2Å; K146-E202 WeakPolarHBondContact CG-OE1 3.21Å; I149-E202 HydrophobicContact CD1-CG 3.67Å; F200-E202 VanDerWaalsContact C-N 3.31Å; E202-E204 PolarHBondContact O-N 2.85Å; E202-N205 WeakPolarHBondContact CB-ND2 3.28Å; E202-N205 WeakPolarHBondContact O-CB 3.33Å; E202-N205 PolarHBondContact O-N 2.84Å; E202-N205 PolarHBondContact OE2-ND2 2.8Å; E202-Y206 WeakPolarHBondContact O-CE1 3.49Å
203	E	85.2	Confident	83.8	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.224	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.4	-179.7	-167.8	177.9	149	0	0	112.6	K141 N205 Y206 K207 R229	K141-E203 WeakPolarHBondContact CE-OE2 3.41Å; K141-E203 IonicContact NZ-OE1 3.08Å; K141-E203 IonicContact NZ-OE2 3.71Å; K141-E203 PolarHBondContact NZ-OE2 3.47Å; E203-N205 PolarHBondContact O-N 3.41Å; E203-Y206 HydrophobicContact CG-CE2 4.22Å; E203-Y206 PolarHBondContact O-N 3.18Å; E203-K207 WeakPolarHBondContact O-CB 3.28Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-R229 IonicContact OE2-CZ 3.32Å; E203-R229 IonicContact OE2-NH1 3.17Å; E203-R229 PolarHBondContact OE2-NH1 2.85Å; E203-R229 IonicContact OE2-NH2 3.79Å
204	E	83.6	Confident	82.8	Confident	156 Å²	156	66.5 Å²	66.5	73%	0.729	34%	0.344	S	S	*	.	H	α-helix	trans	-60.3	-30	178.8	-62.1	-174.6	168.9	0	0	112.6	E202 Y206	E202-E204 PolarHBondContact O-N 2.85Å; E204-Y206 PolarHBondContact O-N 3.29Å
205	N	82	Confident	82.2	Confident	64 Å²	64	68.8 Å²	68.8	34%	0.342	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-26.4	-177	-73.4	-25.6	0	0	0	113.3	Y199 E202 E203	Y199-N205 HydrophobicContact CD2-CB 3.98Å; Y199-N205 HydrophobicContact CE1-CB 4.45Å; Y199-N205 HydrophobicContact CE2-CB 3.8Å; Y199-N205 HydrophobicContact CG-CB 4.4Å; Y199-N205 PolarHBondContact O-ND2 3.27Å; Y199-N205 PolarHBondContact OH-O 3.23Å; Y199-N205 VanDerWaalsContact OH-O 3.05Å; E202-N205 WeakPolarHBondContact CB-ND2 3.28Å; E202-N205 WeakPolarHBondContact O-CB 3.33Å; E202-N205 PolarHBondContact O-N 2.84Å; E202-N205 PolarHBondContact OE2-ND2 2.8Å; E203-N205 PolarHBondContact O-N 3.41Å
206	Y	83.3	Confident	81.8	Confident	4 Å²	4	70 Å²	70	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-125	-11.2	-176	59	-94.7	0	0	0	114.8	Y199 F200 E202 E203 E204 D208 I209 F218 V221 R229	Y199-Y206 HydrophobicContact CE1-CD1 4.23Å; F200-Y206 HydrophobicContact CD1-CD1 4.37Å; F200-Y206 HydrophobicContact CD1-CE1 4.18Å; E202-Y206 WeakPolarHBondContact O-CE1 3.49Å; E203-Y206 HydrophobicContact CG-CE2 4.22Å; E203-Y206 PolarHBondContact O-N 3.18Å; E204-Y206 PolarHBondContact O-N 3.29Å; Y206-D208 PolarHBondContact O-N 3.32Å; Y206-I209 WeakPolarHBondContact O-CG1 3.47Å; Y206-F218 HydrophobicContact CD2-CZ 4.34Å; Y206-F218 WeakPolarHBondContact O-CE2 3.47Å; Y206-F218 VanDerWaalsContact O-CZ 3.28Å; Y206-F218 WeakPolarHBondContact O-CZ 3.29Å; Y206-V221 HydrophobicContact CD2-CG1 3.73Å; Y206-V221 HydrophobicContact CE2-CG1 4.38Å; Y206-V221 HydrophobicContact CG-CG1 3.91Å; Y206-R229 PolarHBondContact OH-NH2 2.83Å
207	K	78.9	Confident	81.3	Confident	110 Å²	110	72.3 Å²	72.3	48%	0.478	37%	0.37	S	S	.	.	H	α-helix	trans	-65	-36.7	-177.8	-175.7	178.7	178.5	-173.7	0	113.8	E203 I209 R211	E203-K207 WeakPolarHBondContact O-CB 3.28Å; E203-K207 PolarHBondContact O-N 3.03Å; K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.05Å; K207-R211 PolarHBondContact O-NH2 3.24Å
208	D	76.1	Confident	81	Confident	136 Å²	136	72.6 Å²	72.6	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	4.7	-173.2	-63.7	-27.3	0	0	0	113.7	Y206 R210	Y206-D208 PolarHBondContact O-N 3.32Å; D208-R210 PolarHBondContact O-N 3.33Å
209	I	77.3	Confident	80.8	Confident	36 Å²	36	73 Å²	73	19%	0.185	37%	0.373	C	S	.	.			trans	-64.8	128.8	176.1	-60.6	174.9	0	0	0	109	Y206 K207 R211 L281	Y206-I209 WeakPolarHBondContact O-CG1 3.47Å; K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.05Å; I209-R211 WeakPolarHBondContact O-CG 3.5Å; I209-R211 PolarHBondContact O-N 3.25Å; I209-R211 PolarHBondContact O-NE 2.91Å; I209-L281 HydrophobicContact CD1-CB 4.5Å; I209-L281 HydrophobicContact CD1-CD2 3.73Å
210	R	70.6	Confident	80.8	Confident	240 Å²	240	70.8 Å²	70.8	91%	0.906	36%	0.364	S	S	*	.			trans	-65.8	130.4	177.6	-69.8	-173.6	-179.2	-171.2	0.3	109.9	D208	D208-R210 PolarHBondContact O-N 3.33Å
211	R	70.7	Confident	80.7	Confident	130 Å²	130	70.8 Å²	70.8	49%	0.491	36%	0.364	S	S	.	.			trans	-116.3	139.4	-171.2	-74.3	163.3	-91.6	169.7	-8.1	111.4	K207 I209 F218	K207-R211 PolarHBondContact O-NH2 3.24Å; I209-R211 WeakPolarHBondContact O-CG 3.5Å; I209-R211 PolarHBondContact O-N 3.25Å; I209-R211 PolarHBondContact O-NE 2.91Å; R211-F218 HydrophobicContact CG-CD2 4.28Å; R211-F218 HydrophobicContact CG-CG 4.25Å
212	P	74.2	Confident	80.7	Confident	80 Å²	80	73.8 Å²	73.8	52%	0.519	38%	0.379	S	S	.	.			trans	-63.3	142.5	162.7	-15.2	28.8	0	0	0	110.2	G214 D215	P212-G214 PolarHBondContact O-N 3.25Å; P212-D215 HydrophobicContact CB-CB 4.38Å; P212-D215 HydrophobicContact CG-CB 4.36Å; P212-D215 PolarHBondContact O-N 3.45Å
213	P	70.9	Confident	80.8	Confident	136 Å²	136	74.2 Å²	74.2	88%	0.883	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	127	172	24.5	-31	0	0	0	110
214	G	71.1	Confident	81.1	Confident	75 Å²	75	71.9 Å²	71.9	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	10.3	-179.2	0	0	0	0	0	115.8	P212 I216	P212-G214 PolarHBondContact O-N 3.25Å; G214-I216 PolarHBondContact O-N 3.45Å; G214-I216 VanDerWaalsContact O-N 3.1Å
215	D	78.6	Confident	81.5	Confident	56 Å²	56	64.5 Å²	64.5	30%	0.299	33%	0.333	S	S	.	.			trans	-71.6	104.3	178.5	-172.8	13.3	0	0	0	112.5	P212 M217	P212-D215 HydrophobicContact CB-CB 4.38Å; P212-D215 HydrophobicContact CG-CB 4.36Å; P212-D215 PolarHBondContact O-N 3.45Å; D215-M217 VanDerWaalsContact C-N 3.34Å; D215-M217 VanDerWaalsContact OD1-CB 3.27Å; D215-M217 WeakPolarHBondContact OD1-CB 3.44Å; D215-M217 PolarHBondContact OD1-N 3.45Å
216	I	82.2	Confident	81.9	Confident	73 Å²	73	63.5 Å²	63.5	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-74.3	-21.9	174.5	55	165.1	0	0	0	112.7	G214 F218 L219 C253	G214-I216 PolarHBondContact O-N 3.45Å; G214-I216 VanDerWaalsContact O-N 3.1Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.1Å; I216-L219 VanDerWaalsContact O-CB 3.25Å; I216-L219 WeakPolarHBondContact O-CB 3.43Å; I216-L219 PolarHBondContact O-N 3.37Å; I216-L219 VanDerWaalsContact O-N 3.17Å; I216-C253 PolarHBondContact O-SG 3.27Å
217	M	82.3	Confident	82.3	Confident	48 Å²	48	63.7 Å²	63.7	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-29.1	-176.1	-61.3	-67.8	118.4	0	0	111.9	D215 L219 L220 C253 A280	D215-M217 VanDerWaalsContact C-N 3.34Å; D215-M217 VanDerWaalsContact OD1-CB 3.27Å; D215-M217 WeakPolarHBondContact OD1-CB 3.44Å; D215-M217 PolarHBondContact OD1-N 3.45Å; M217-L219 PolarHBondContact O-N 3.42Å; M217-L220 WeakPolarHBondContact O-CB 3.12Å; M217-L220 PolarHBondContact O-N 2.88Å; M217-C253 VanDerWaalsContact CE-CA 3.49Å; M217-C253 HydrophobicContact CE-CB 3.54Å; M217-C253 VanDerWaalsContact CE-O 3.27Å; M217-C253 WeakPolarHBondContact CE-O 3.41Å; M217-C253 HydrophobicContact SD-CB 3.9Å; M217-A280 HydrophobicContact CB-CB 3.93Å
218	F	85.1	Confident	83	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-25.7	177.4	-168.7	-102.9	0	0	0	113	Y206 R211 I216 L220 V221 Q222	Y206-F218 HydrophobicContact CD2-CZ 4.34Å; Y206-F218 WeakPolarHBondContact O-CE2 3.47Å; Y206-F218 VanDerWaalsContact O-CZ 3.28Å; Y206-F218 WeakPolarHBondContact O-CZ 3.29Å; R211-F218 HydrophobicContact CG-CD2 4.28Å; R211-F218 HydrophobicContact CG-CG 4.25Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.1Å; F218-L220 PolarHBondContact O-N 2.98Å; F218-V221 HydrophobicContact CD2-CB 4.36Å; F218-V221 HydrophobicContact CE2-CB 4.5Å; F218-V221 HydrophobicContact CE2-CG1 4.35Å; F218-V221 WeakPolarHBondContact O-CB 3.3Å; F218-V221 PolarHBondContact O-N 3.48Å; F218-V221 VanDerWaalsContact O-N 3.1Å; F218-Q222 HydrophobicContact CD1-CG 3.77Å; F218-Q222 HydrophobicContact CE1-CG 3.51Å; F218-Q222 HydrophobicContact CZ-CG 4.26Å; F218-Q222 PolarHBondContact O-N 3.4Å; F218-Q222 VanDerWaalsContact O-N 3.07Å
219	L	86.6	Confident	83.7	Confident	54 Å²	54	52.6 Å²	52.6	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-58	-35.7	172.8	-172.7	63.6	0	0	0	110.7	I216 M217 V221 Q222 R223 A249 L252	I216-L219 VanDerWaalsContact O-CB 3.25Å; I216-L219 WeakPolarHBondContact O-CB 3.43Å; I216-L219 PolarHBondContact O-N 3.37Å; I216-L219 VanDerWaalsContact O-N 3.17Å; M217-L219 PolarHBondContact O-N 3.42Å; L219-V221 PolarHBondContact O-N 2.94Å; L219-Q222 PolarHBondContact O-N 3.38Å; L219-R223 HydrophobicContact CD1-CG 4.14Å; L219-R223 HydrophobicContact CG-CG 4.16Å; L219-R223 WeakPolarHBondContact O-CB 3.28Å; L219-R223 VanDerWaalsContact O-CG 3.3Å; L219-R223 WeakPolarHBondContact O-CG 3.24Å; L219-R223 PolarHBondContact O-N 2.86Å; L219-A249 HydrophobicContact CD2-CB 4.21Å; L219-A249 HydrophobicContact CG-CB 4.08Å; L219-L252 HydrophobicContact CD2-CD2 4.15Å
220	L	89.4	Confident	84.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176	-167	69.3	0	0	0	111.8	M217 F218 F224 M246 A249 V250 W272 F273 A276 L277	M217-L220 WeakPolarHBondContact O-CB 3.12Å; M217-L220 PolarHBondContact O-N 2.88Å; F218-L220 PolarHBondContact O-N 2.98Å; L220-F224 WeakPolarHBondContact O-CB 3.32Å; L220-F224 PolarHBondContact O-N 3.48Å; L220-M246 HydrophobicContact CD1-CE 3.6Å; L220-M246 HydrophobicContact CD1-SD 4.31Å; L220-M246 HydrophobicContact CG-CE 4.22Å; L220-A249 HydrophobicContact CD1-CB 4.49Å; L220-V250 HydrophobicContact CD1-CG2 3.68Å; L220-W272 HydrophobicContact CD1-CH2 4.37Å; L220-W272 HydrophobicContact CD2-CH2 4.16Å; L220-W272 HydrophobicContact CD2-CZ3 4.5Å; L220-F273 HydrophobicContact CD1-CD2 4.29Å; L220-F273 HydrophobicContact CD1-CE2 3.82Å; L220-F273 HydrophobicContact CD2-CD2 3.89Å; L220-F273 HydrophobicContact CD2-CE2 3.79Å; L220-F273 HydrophobicContact CG-CD2 4.34Å; L220-F273 HydrophobicContact CG-CE2 3.78Å; L220-A276 HydrophobicContact CD2-CB 3.71Å; L220-L277 HydrophobicContact CD2-CD2 4.18Å; L220-L277 HydrophobicContact CD2-CG 4.48Å; L220-L277 HydrophobicContact CG-CD2 4.24Å
221	V	90	Very high	85.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-44.7	178.7	177.8	0	0	0	0	110.3	F200 Y206 F218 L219 G225 L277 A280 L281	F200-V221 HydrophobicContact CE1-CB 4.5Å; F200-V221 HydrophobicContact CE1-CG1 3.72Å; F200-V221 HydrophobicContact CZ-CG1 4.41Å; Y206-V221 HydrophobicContact CD2-CG1 3.73Å; Y206-V221 HydrophobicContact CE2-CG1 4.38Å; Y206-V221 HydrophobicContact CG-CG1 3.91Å; F218-V221 HydrophobicContact CD2-CB 4.36Å; F218-V221 HydrophobicContact CE2-CB 4.5Å; F218-V221 HydrophobicContact CE2-CG1 4.35Å; F218-V221 WeakPolarHBondContact O-CB 3.3Å; F218-V221 PolarHBondContact O-N 3.48Å; F218-V221 VanDerWaalsContact O-N 3.1Å; L219-V221 PolarHBondContact O-N 2.94Å; V221-G225 PolarHBondContact O-N 3.03Å; V221-L277 HydrophobicContact CG2-CD2 3.91Å; V221-A280 HydrophobicContact CG2-CB 3.44Å; V221-A280 VanDerWaalsContact CG2-CB 3.44Å; V221-L281 HydrophobicContact CG1-CD2 3.73Å; V221-L281 HydrophobicContact CG1-CG 4.44Å; V221-L281 HydrophobicContact CG2-CD2 4.3Å; V221-L281 HydrophobicContact CG2-CG 4.19Å
222	Q	88.6	Confident	86.2	Confident	67 Å²	67	34.4 Å²	34.4	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-64	-49.7	178.8	-68.5	-177.1	-39.4	0	0	111.9	F218 L219 G225 E226	F218-Q222 HydrophobicContact CD1-CG 3.77Å; F218-Q222 HydrophobicContact CE1-CG 3.51Å; F218-Q222 HydrophobicContact CZ-CG 4.26Å; F218-Q222 PolarHBondContact O-N 3.4Å; F218-Q222 VanDerWaalsContact O-N 3.07Å; L219-Q222 PolarHBondContact O-N 3.38Å; Q222-G225 PolarHBondContact O-N 3.45Å; Q222-E226 WeakPolarHBondContact O-CG 3.29Å; Q222-E226 PolarHBondContact O-N 3.13Å
223	R	90.7	Very high	86.8	Confident	39 Å²	39	30.6 Å²	30.6	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-35.2	-179.8	-63.8	-43.4	-171.6	157	14.9	112.3	L219 E226 L227 E245 M246 A249	L219-R223 HydrophobicContact CD1-CG 4.14Å; L219-R223 HydrophobicContact CG-CG 4.16Å; L219-R223 WeakPolarHBondContact O-CB 3.28Å; L219-R223 VanDerWaalsContact O-CG 3.3Å; L219-R223 WeakPolarHBondContact O-CG 3.24Å; L219-R223 PolarHBondContact O-N 2.86Å; R223-E226 WeakPolarHBondContact CD-OE2 3.31Å; R223-E226 IonicContact CZ-OE2 2.86Å; R223-E226 IonicContact NE-OE2 3.51Å; R223-E226 IonicContact NH1-OE1 3.75Å; R223-E226 IonicContact NH1-OE2 3.92Å; R223-E226 PolarHBondContact NH1-OE2 2.76Å; R223-E226 PolarHBondContact O-N 2.94Å; R223-L227 WeakPolarHBondContact O-CB 3.44Å; R223-L227 PolarHBondContact O-N 2.92Å; R223-E245 IonicContact CZ-OE1 3.65Å; R223-E245 IonicContact NH1-OE1 3.8Å; R223-E245 PolarHBondContact NH1-OE1 3.33Å; R223-E245 IonicContact NH1-OE2 3.74Å; R223-E245 PolarHBondContact NH1-OE2 3.33Å; R223-E245 IonicContact NH2-OE1 2.64Å; R223-E245 PolarHBondContact NH2-OE1 3.26Å; R223-M246 HydrophobicContact CB-SD 3.85Å; R223-A249 HydrophobicContact CB-CB 4.17Å; R223-A249 HydrophobicContact CG-CB 3.87Å
224	F	92	Very high	87.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-45.7	172.6	-173.2	-118.4	0	0	0	111	L187 F190 L196 F200 L220 E226 L227 M228 M246 F273 L277	L187-F224 HydrophobicContact CD2-CD2 3.74Å; L187-F224 HydrophobicContact CD2-CE2 3.63Å; F190-F224 HydrophobicContact CB-CZ 4.09Å; L196-F224 HydrophobicContact CD2-CE1 4.43Å; L196-F224 HydrophobicContact CD2-CZ 4.48Å; F200-F224 AromaticContact CD1-CD1 3.7Å; F200-F224 HydrophobicContact CD1-CD1 3.7Å; F200-F224 HydrophobicContact CD1-CE1 4.36Å; F200-F224 AromaticContact CD2-CD1 3.68Å; F200-F224 HydrophobicContact CD2-CD1 3.68Å; F200-F224 AromaticContact CD2-CE1 3.51Å; F200-F224 HydrophobicContact CD2-CE1 3.51Å; F200-F224 AromaticContact CE1-CD1 3.63Å; F200-F224 HydrophobicContact CE1-CD1 3.63Å; F200-F224 HydrophobicContact CE1-CE1 4.42Å; F200-F224 AromaticContact CE2-CD1 3.64Å; F200-F224 HydrophobicContact CE2-CD1 3.64Å; F200-F224 AromaticContact CE2-CE1 3.62Å; F200-F224 HydrophobicContact CE2-CE1 3.62Å; F200-F224 AromaticContact CG-CD1 3.72Å; F200-F224 HydrophobicContact CG-CD1 3.72Å; F200-F224 AromaticContact CG-CE1 3.92Å; F200-F224 HydrophobicContact CG-CE1 3.92Å; F200-F224 AromaticContact CZ-CD1 3.62Å; F200-F224 HydrophobicContact CZ-CD1 3.62Å; F200-F224 HydrophobicContact CZ-CE1 4.09Å; L220-F224 WeakPolarHBondContact O-CB 3.32Å; L220-F224 PolarHBondContact O-N 3.48Å; F224-E226 VanDerWaalsContact C-N 3.35Å; F224-E226 PolarHBondContact O-N 3.42Å; F224-L227 PolarHBondContact O-N 2.98Å; F224-M228 HydrophobicContact CD1-CG 4.18Å; F224-M228 HydrophobicContact CD2-CG 4.32Å; F224-M228 HydrophobicContact CE1-CG 3.92Å; F224-M228 HydrophobicContact CE1-SD 4.3Å; F224-M228 HydrophobicContact CE2-CG 4.07Å; F224-M228 HydrophobicContact CE2-SD 3.98Å; F224-M228 HydrophobicContact CG-CG 4.38Å; F224-M228 HydrophobicContact CZ-CG 3.86Å; F224-M228 HydrophobicContact CZ-SD 3.72Å; F224-M228 WeakPolarHBondContact O-CB 3.25Å; F224-M228 WeakPolarHBondContact O-CG 3.33Å; F224-M228 PolarHBondContact O-N 3.28Å; F224-M246 HydrophobicContact CB-CE 3.79Å; F224-M246 HydrophobicContact CB-SD 3.97Å; F224-M246 HydrophobicContact CD2-CE 3.87Å; F224-M246 HydrophobicContact CG-CE 4.22Å; F224-M246 PolarHBondContact N-SD 3.43Å; F224-M246 VanDerWaalsContact N-SD 3.41Å; F224-F273 HydrophobicContact CB-CZ 4.37Å; F224-F273 HydrophobicContact CD1-CZ 4.38Å; F224-F273 HydrophobicContact CD2-CE1 4.23Å; F224-F273 AromaticContact CD2-CZ 3.64Å; F224-F273 HydrophobicContact CD2-CZ 3.64Å; F224-F273 HydrophobicContact CE2-CE1 4.07Å; F224-F273 AromaticContact CE2-CZ 3.95Å; F224-F273 HydrophobicContact CE2-CZ 3.95Å; F224-F273 AromaticContact CG-CZ 3.88Å; F224-F273 HydrophobicContact CG-CZ 3.88Å; F224-F273 HydrophobicContact CZ-CE1 4.29Å; F224-F273 HydrophobicContact CZ-CZ 4.45Å; F224-L277 HydrophobicContact CD1-CD1 4.29Å; F224-L277 HydrophobicContact CE1-CD1 4.39Å
225	G	91.2	Very high	88	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-37.3	174.9	0	0	0	0	0	113.8	V221 Q222 R229	V221-G225 PolarHBondContact O-N 3.03Å; Q222-G225 PolarHBondContact O-N 3.45Å; G225-R229 WeakPolarHBondContact O-CB 3.25Å; G225-R229 VanDerWaalsContact O-CG 3.28Å; G225-R229 WeakPolarHBondContact O-CG 3.38Å; G225-R229 PolarHBondContact O-N 2.97Å; G225-R229 VanDerWaalsContact O-N 3.11Å; G225-R229 PolarHBondContact O-NE 3.3Å
226	E	90.3	Very high	88.2	Confident	44 Å²	44	26.2 Å²	26.2	21%	0.206	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-46.5	171.3	-72.1	175.7	161.3	0	0	112.1	Q222 R223 F224 M228 R229 K230	Q222-E226 WeakPolarHBondContact O-CG 3.29Å; Q222-E226 PolarHBondContact O-N 3.13Å; R223-E226 WeakPolarHBondContact CD-OE2 3.31Å; R223-E226 IonicContact CZ-OE2 2.86Å; R223-E226 IonicContact NE-OE2 3.51Å; R223-E226 IonicContact NH1-OE1 3.75Å; R223-E226 IonicContact NH1-OE2 3.92Å; R223-E226 PolarHBondContact NH1-OE2 2.76Å; R223-E226 PolarHBondContact O-N 2.94Å; F224-E226 VanDerWaalsContact C-N 3.35Å; F224-E226 PolarHBondContact O-N 3.42Å; E226-M228 PolarHBondContact O-N 3.42Å; E226-R229 VanDerWaalsContact CG-NH2 3.31Å; E226-R229 PolarHBondContact O-N 3.34Å; E226-K230 VanDerWaalsContact O-CG 3.29Å; E226-K230 WeakPolarHBondContact O-CG 3.36Å; E226-K230 PolarHBondContact O-N 2.81Å
227	L	92.2	Very high	88.1	Confident	8 Å²	8	23.4 Å²	23.4	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-45.4	177.4	-178	64.3	0	0	0	111.7	L174 L187 R223 F224 R229 K230 L231 V241 P243 M246	L174-L227 HydrophobicContact CD2-CD1 4.07Å; L187-L227 HydrophobicContact CB-CD2 4.44Å; L187-L227 HydrophobicContact CD1-CD2 3.83Å; L187-L227 HydrophobicContact CD2-CD2 4.34Å; L187-L227 HydrophobicContact CG-CD2 4.44Å; R223-L227 WeakPolarHBondContact O-CB 3.44Å; R223-L227 PolarHBondContact O-N 2.92Å; F224-L227 PolarHBondContact O-N 2.98Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 2.91Å; L227-K230 PolarHBondContact O-N 3.44Å; L227-K230 VanDerWaalsContact O-N 3.16Å; L227-L231 HydrophobicContact CD1-CD1 4.44Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 HydrophobicContact CG-CG 4.39Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.39Å; L227-V241 HydrophobicContact CD1-CG1 3.76Å; L227-P243 HydrophobicContact CD1-CB 4.34Å; L227-P243 HydrophobicContact CD2-CB 4.34Å; L227-M246 HydrophobicContact CD2-CB 4.04Å; L227-M246 HydrophobicContact CD2-CG 3.92Å
228	M	92.1	Very high	88	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-45.1	177.8	-72.3	-60.9	-70.7	0	0	111.9	S191 R197 F200 F224 E226 K230 L231 W232	S191-M228 VanDerWaalsContact CA-CE 3.46Å; R197-M228 VanDerWaalsContact CA-CE 3.47Å; R197-M228 HydrophobicContact CB-CE 3.56Å; R197-M228 HydrophobicContact CG-CE 3.63Å; F200-M228 HydrophobicContact CB-CB 4.16Å; F200-M228 HydrophobicContact CB-CG 4.02Å; F224-M228 HydrophobicContact CD1-CG 4.18Å; F224-M228 HydrophobicContact CD2-CG 4.32Å; F224-M228 HydrophobicContact CE1-CG 3.92Å; F224-M228 HydrophobicContact CE1-SD 4.3Å; F224-M228 HydrophobicContact CE2-CG 4.07Å; F224-M228 HydrophobicContact CE2-SD 3.98Å; F224-M228 HydrophobicContact CG-CG 4.38Å; F224-M228 HydrophobicContact CZ-CG 3.86Å; F224-M228 HydrophobicContact CZ-SD 3.72Å; F224-M228 WeakPolarHBondContact O-CB 3.25Å; F224-M228 WeakPolarHBondContact O-CG 3.33Å; F224-M228 PolarHBondContact O-N 3.28Å; E226-M228 PolarHBondContact O-N 3.42Å; M228-K230 VanDerWaalsContact C-N 3.3Å; M228-K230 PolarHBondContact O-N 3.49Å; M228-L231 PolarHBondContact O-N 2.66Å; M228-W232 PolarHBondContact O-N 2.8Å
229	R	91.5	Very high	87.9	Confident	12 Å²	12	24.2 Å²	24.2	5%	0.045	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-35.8	176.9	-76.1	178	-71.7	175.3	-3.4	112.5	P142 F144 L201 E203 Y206 G225 E226 L227 N233	P142-R229 HydrophobicContact CB-CB 4.13Å; P142-R229 HydrophobicContact CG-CB 4.23Å; P142-R229 WeakPolarHBondContact O-CD 3.31Å; F144-R229 HydrophobicContact CD2-CG 4.05Å; F144-R229 HydrophobicContact CE2-CB 3.9Å; F144-R229 HydrophobicContact CE2-CG 3.88Å; L201-R229 HydrophobicContact CD2-CG 3.98Å; L201-R229 WeakPolarHBondContact O-CD 3.22Å; E203-R229 IonicContact OE2-CZ 3.32Å; E203-R229 IonicContact OE2-NH1 3.17Å; E203-R229 PolarHBondContact OE2-NH1 2.85Å; E203-R229 IonicContact OE2-NH2 3.79Å; Y206-R229 PolarHBondContact OH-NH2 2.83Å; G225-R229 WeakPolarHBondContact O-CB 3.25Å; G225-R229 VanDerWaalsContact O-CG 3.28Å; G225-R229 WeakPolarHBondContact O-CG 3.38Å; G225-R229 PolarHBondContact O-N 2.97Å; G225-R229 VanDerWaalsContact O-N 3.11Å; G225-R229 PolarHBondContact O-NE 3.3Å; E226-R229 VanDerWaalsContact CG-NH2 3.31Å; E226-R229 PolarHBondContact O-N 3.34Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 2.91Å; R229-N233 PolarHBondContact O-N 3.1Å
230	K	90.3	Very high	87.9	Confident	18 Å²	18	25 Å²	25	8%	0.078	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-42.8	176.6	-70.9	169.8	171.4	-163.1	0	112.5	F65 D66 P142 E226 L227 M228 W232 N233 V241	F65-K230 PolarHBondContact O-NZ 3.24Å; D66-K230 WeakPolarHBondContact OD1-CD 3.27Å; D66-K230 WeakPolarHBondContact OD1-CE 3.45Å; D66-K230 IonicContact OD1-NZ 2.89Å; D66-K230 PolarHBondContact OD1-NZ 3.49Å; P142-K230 HydrophobicContact CG-CG 4.4Å; E226-K230 VanDerWaalsContact O-CG 3.29Å; E226-K230 WeakPolarHBondContact O-CG 3.36Å; E226-K230 PolarHBondContact O-N 2.81Å; L227-K230 PolarHBondContact O-N 3.44Å; L227-K230 VanDerWaalsContact O-N 3.16Å; M228-K230 VanDerWaalsContact C-N 3.3Å; M228-K230 PolarHBondContact O-N 3.49Å; K230-W232 VanDerWaalsContact C-N 3.33Å; K230-W232 PolarHBondContact O-N 3.39Å; K230-N233 WeakPolarHBondContact O-CB 3.36Å; K230-N233 PolarHBondContact O-N 2.84Å; K230-V241 HydrophobicContact CB-CG1 4.01Å; K230-V241 HydrophobicContact CB-CG2 4.27Å; K230-V241 HydrophobicContact CD-CG1 4.43Å
231	L	90.4	Very high	87.8	Confident	1 Å²	1	25 Å²	25	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-40.5	177	-76.5	173.6	0	0	0	112.3	G170 V172 L174 L227 M228 N233 V241	G170-L231 PolarHBondContact N-O 3.32Å; V172-L231 HydrophobicContact CB-CD2 4.17Å; V172-L231 HydrophobicContact CG1-CD2 4.4Å; L174-L231 HydrophobicContact CD2-CD2 3.84Å; L174-L231 HydrophobicContact CG-CD2 4.32Å; L227-L231 HydrophobicContact CD1-CD1 4.44Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 HydrophobicContact CG-CG 4.39Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.39Å; M228-L231 PolarHBondContact O-N 2.66Å; L231-N233 VanDerWaalsContact C-N 3.29Å; L231-N233 PolarHBondContact O-N 3.17Å; L231-V241 HydrophobicContact CD2-CB 4.27Å; L231-V241 HydrophobicContact CD2-CG2 4.37Å
232	W	90	Very high	87.8	Confident	5 Å²	5	25.4 Å²	25.4	2%	0.019	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	13.3	179	-71.4	88.6	0	0	0	113.4	F144 L152 P169 S191 R197 L201 M228 K230 P234	F144-W232 HydrophobicContact CE1-CB 4.46Å; F144-W232 VanDerWaalsContact CE1-O 3.31Å; F144-W232 WeakPolarHBondContact CE1-O 3.28Å; F144-W232 HydrophobicContact CZ-CB 4.19Å; F144-W232 VanDerWaalsContact CZ-O 3.28Å; F144-W232 WeakPolarHBondContact CZ-O 3.31Å; L152-W232 HydrophobicContact CD2-CB 4.26Å; L152-W232 HydrophobicContact CD2-CD2 3.89Å; L152-W232 HydrophobicContact CD2-CE3 3.26Å; L152-W232 HydrophobicContact CD2-CG 4.32Å; L152-W232 HydrophobicContact CD2-CZ3 3.88Å; L152-W232 HydrophobicContact CG-CE3 3.76Å; L152-W232 HydrophobicContact CG-CZ3 4.05Å; P169-W232 HydrophobicContact CB-CE3 4Å; P169-W232 WeakPolarHBondContact O-CZ3 3.03Å; S191-W232 WeakPolarHBondContact O-CZ2 3.41Å; S191-W232 PolarHBondContact O-NE1 3.27Å; S191-W232 PolarHBondContact OG-NE1 2.8Å; R197-W232 VanDerWaalsContact CD-CD2 3.47Å; R197-W232 VanDerWaalsContact CD-CZ2 3.46Å; R197-W232 HydrophobicContact CG-CD2 4.35Å; R197-W232 HydrophobicContact CG-CG 4.31Å; L201-W232 HydrophobicContact CD2-CB 4.01Å; L201-W232 HydrophobicContact CD2-CG 4.47Å; M228-W232 PolarHBondContact O-N 2.8Å; K230-W232 VanDerWaalsContact C-N 3.33Å; K230-W232 PolarHBondContact O-N 3.39Å; W232-P234 WeakPolarHBondContact O-CD 3.19Å
233	N	88.3	Confident	87.8	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	10%	0.1	C	C	.	.			trans	-72.2	117.1	178.5	-177.8	1.9	0	0	0	110.7	Y138 P142 Y167 R229 K230 L231 R235 N236	Y138-N233 WeakPolarHBondContact CD1-OD1 3.28Å; Y138-N233 WeakPolarHBondContact CE1-OD1 3.07Å; P142-N233 HydrophobicContact CB-CB 4.42Å; P142-N233 HydrophobicContact CG-CB 4.24Å; Y167-N233 WeakPolarHBondContact CE2-O 3.33Å; Y167-N233 PolarHBondContact OH-O 3.38Å; R229-N233 PolarHBondContact O-N 3.1Å; K230-N233 WeakPolarHBondContact O-CB 3.36Å; K230-N233 PolarHBondContact O-N 2.84Å; L231-N233 VanDerWaalsContact C-N 3.29Å; L231-N233 PolarHBondContact O-N 3.17Å; N233-R235 VanDerWaalsContact C-N 3.27Å; N233-R235 PolarHBondContact O-N 3.18Å; N233-R235 PolarHBondContact OD1-N 3.43Å; N233-N236 HydrophobicContact CB-CB 4.5Å
234	P	83.8	Confident	87.6	Confident	7 Å²	7	22.5 Å²	22.5	5%	0.045	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.1	175.8	30.5	-37.1	0	0	0	114.9	Y138 Y159 Y167 P169 W232	Y138-P234 HydrophobicContact CE1-CG 4.3Å; Y159-P234 WeakPolarHBondContact CB-O 3.37Å; Y159-P234 HydrophobicContact CD1-CB 3.53Å; Y159-P234 WeakPolarHBondContact CD1-O 3.16Å; Y159-P234 HydrophobicContact CD2-CB 4.32Å; Y159-P234 HydrophobicContact CE1-CB 3.41Å; Y159-P234 VanDerWaalsContact CE1-CB 3.41Å; Y159-P234 HydrophobicContact CE2-CB 4.19Å; Y159-P234 HydrophobicContact CG-CB 3.98Å; Y167-P234 PolarHBondContact OH-O 3.41Å; P169-P234 HydrophobicContact CG-CB 4.26Å; W232-P234 WeakPolarHBondContact O-CD 3.19Å
235	R	82.6	Confident	87.4	Confident	150 Å²	150	23.1 Å²	23.1	57%	0.566	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.4	51.2	-176.4	-61.8	179.3	-178.2	179.8	0	110.5	Y138 V139 Y167 N233	Y138-R235 HydrophobicContact CD1-CB 4.09Å; Y138-R235 HydrophobicContact CE1-CB 4.41Å; V139-R235 WeakPolarHBondContact CG2-O 3.26Å; Y167-R235 PolarHBondContact OH-N 3.18Å; N233-R235 VanDerWaalsContact C-N 3.27Å; N233-R235 PolarHBondContact O-N 3.18Å; N233-R235 PolarHBondContact OD1-N 3.43Å
236	N	81.9	Confident	87.3	Confident	18 Å²	18	23.3 Å²	23.3	10%	0.096	11%	0.106	C	C	.	.			trans	-82.3	148.9	-179.2	-153.9	-3.8	0	0	0	110.6	A161 Y167 N233 K238	A161-N236 VanDerWaalsContact CA-O 3.27Å; A161-N236 WeakPolarHBondContact CA-O 3.16Å; A161-N236 WeakPolarHBondContact CB-O 3.5Å; Y167-N236 HydrophobicContact CE1-CB 4.31Å; Y167-N236 HydrophobicContact CE2-CB 4.49Å; Y167-N236 WeakPolarHBondContact OH-CB 3.39Å; Y167-N236 PolarHBondContact OH-N 3.14Å; N233-N236 HydrophobicContact CB-CB 4.5Å; N236-K238 VanDerWaalsContact C-N 3.35Å; N236-K238 WeakPolarHBondContact CB-O 3.45Å; N236-K238 PolarHBondContact ND2-O 3.17Å; N236-K238 VanDerWaalsContact ND2-O 3.12Å
237	F	80.9	Confident	87.2	Confident	13 Å²	13	21.4 Å²	21.4	6%	0.057	10%	0.098	C	C	.	.	S	Bend	trans	-76.9	-26.8	176.3	-66.2	-26.5	0	0	0	112.6	R60 L63 F65 D135 I136 V139 Y162	R60-F237 HydrophobicContact CG-CE1 4.48Å; R60-F237 HydrophobicContact CG-CZ 4.29Å; L63-F237 HydrophobicContact CB-CD2 4.15Å; L63-F237 HydrophobicContact CB-CE2 4.14Å; L63-F237 HydrophobicContact CD1-CE2 3.95Å; F65-F237 HydrophobicContact CE2-CE2 4.22Å; D135-F237 HydrophobicContact CB-CE1 4.39Å; I136-F237 HydrophobicContact CB-CZ 4.24Å; I136-F237 HydrophobicContact CG1-CE2 4.15Å; I136-F237 HydrophobicContact CG1-CZ 3.65Å; V139-F237 HydrophobicContact CB-CD2 4.25Å; V139-F237 HydrophobicContact CB-CE2 4.03Å; V139-F237 HydrophobicContact CB-CZ 4.27Å; V139-F237 HydrophobicContact CG1-CD2 3.96Å; V139-F237 HydrophobicContact CG1-CE2 4.2Å; V139-F237 HydrophobicContact CG1-CG 4.42Å; V139-F237 HydrophobicContact CG2-CD1 3.84Å; V139-F237 HydrophobicContact CG2-CD2 3.98Å; V139-F237 HydrophobicContact CG2-CE1 3.73Å; V139-F237 HydrophobicContact CG2-CE2 3.86Å; V139-F237 HydrophobicContact CG2-CG 3.96Å; V139-F237 HydrophobicContact CG2-CZ 3.73Å; Y162-F237 PolarHBondContact N-O 2.75Å
238	K	81	Confident	87	Confident	51 Å²	51	24.9 Å²	24.9	22%	0.222	11%	0.114	C	C	.	.	S	Bend	trans	-129	148.1	179.6	-56.3	177.1	-172.5	173.8	0	109.2	D64 N236 H240	D64-K238 IonicContact OD2-NZ 2.69Å; D64-K238 PolarHBondContact OD2-NZ 2.78Å; N236-K238 VanDerWaalsContact C-N 3.35Å; N236-K238 WeakPolarHBondContact CB-O 3.45Å; N236-K238 PolarHBondContact ND2-O 3.17Å; N236-K238 VanDerWaalsContact ND2-O 3.12Å; K238-H240 PolarHBondContact O-N 3.2Å; K238-H240 VanDerWaalsContact O-N 3.15Å
239	A	82.4	Confident	86.9	Confident	20 Å²	20	25 Å²	25	17%	0.165	12%	0.115	C	C	.	.	S	Bend	trans	-80	22.4	174.1	0	0	0	0	0	113.6	T165 Y167 V172	T165-A239 HydrophobicContact CG2-CB 3.63Å; Y167-A239 HydrophobicContact CD1-CB 4.1Å; Y167-A239 HydrophobicContact CG-CB 4.25Å; V172-A239 WeakPolarHBondContact CG1-O 3.46Å
240	H	85.4	Confident	86.8	Confident	70 Å²	70	24.6 Å²	24.6	32%	0.324	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.5	175.1	58.4	-93.3	0	0	0	110.4	G173 K238 L478	G173-H240 CarbonylContact O-C 3.53Å; G173-H240 VanDerWaalsContact O-CA 3.23Å; G173-H240 WeakPolarHBondContact O-CA 3.49Å; G173-H240 WeakPolarHBondContact O-CB 3.39Å; K238-H240 PolarHBondContact O-N 3.2Å; K238-H240 VanDerWaalsContact O-N 3.15Å; H240-L478 HydrophobicContact CB-CD2 3.51Å
241	V	89.1	Confident	86.8	Confident	1 Å²	1	25 Å²	25	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.1	179.6	175.6	0	0	0	0	109.4	V172 G173 L174 N175 L227 K230 L231 P243	V172-V241 HydrophobicContact CG1-CG2 3.99Å; G173-V241 PolarHBondContact O-N 2.88Å; L174-V241 WeakPolarHBondContact CA-O 3.41Å; L174-V241 HydrophobicContact CD2-CB 4.24Å; L174-V241 HydrophobicContact CD2-CG1 4.48Å; L174-V241 WeakPolarHBondContact CD2-O 3.22Å; N175-V241 PolarHBondContact N-O 3.42Å; L227-V241 HydrophobicContact CD1-CG1 3.76Å; K230-V241 HydrophobicContact CB-CG1 4.01Å; K230-V241 HydrophobicContact CB-CG2 4.27Å; K230-V241 HydrophobicContact CD-CG1 4.43Å; L231-V241 HydrophobicContact CD2-CB 4.27Å; L231-V241 HydrophobicContact CD2-CG2 4.37Å; V241-P243 WeakPolarHBondContact O-CD 3.28Å
242	S	89.4	Confident	86.7	Confident	9 Å²	9	29.5 Å²	29.5	6%	0.063	14%	0.141	C	C	.	.			trans	-89.7	119.4	174.4	-178.8	0	0	0	0	110.8	D66 H244	D66-S242 PolarHBondContact OD2-N 3.39Å; S242-H244 PolarHBondContact O-N 2.77Å
243	P	88.4	Confident	86.6	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.142	C	C	.	.			trans	-81.2	16.8	177.6	32.5	-32.6	0	0	0	112.9	L174 N184 L227 V241 E245 M246 L247	L174-P243 HydrophobicContact CB-CG 4.31Å; L174-P243 HydrophobicContact CD2-CB 4.11Å; L174-P243 HydrophobicContact CD2-CG 4.14Å; N184-P243 WeakPolarHBondContact OD1-CG 3.21Å; L227-P243 HydrophobicContact CD1-CB 4.34Å; L227-P243 HydrophobicContact CD2-CB 4.34Å; V241-P243 WeakPolarHBondContact O-CD 3.28Å; P243-E245 PolarHBondContact O-N 3.25Å; P243-M246 WeakPolarHBondContact O-CB 3.18Å; P243-M246 PolarHBondContact O-N 2.62Å; P243-M246 VanDerWaalsContact O-N 3.1Å; P243-L247 HydrophobicContact CB-CD1 4.12Å; P243-L247 HydrophobicContact CB-CG 4.32Å; P243-L247 HydrophobicContact CG-CD1 3.83Å; P243-L247 WeakPolarHBondContact O-CG 3.45Å; P243-L247 PolarHBondContact O-N 3.07Å
244	H	86.4	Confident	86.5	Confident	44 Å²	44	29.8 Å²	29.8	20%	0.204	14%	0.144	C	C	.	.	H	α-helix	trans	-55.2	-51	-172.1	-179.6	-85.8	0	0	0	113	F67 I177 S242 M246 L247 Q248	F67-H244 HydrophobicContact CE1-CB 4.49Å; I177-H244 HydrophobicContact CD1-CB 3.8Å; S242-H244 PolarHBondContact O-N 2.77Å; H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.05Å; H244-L247 PolarHBondContact O-N 3.3Å; H244-Q248 VanDerWaalsContact CE1-CG 3.49Å; H244-Q248 WeakPolarHBondContact CE1-CG 3.32Å; H244-Q248 PolarHBondContact CE1-NE2 3.42Å; H244-Q248 PolarHBondContact NE2-NE2 2.96Å; H244-Q248 VanDerWaalsContact NE2-NE2 3.17Å; H244-Q248 WeakPolarHBondContact O-CG 3.46Å; H244-Q248 PolarHBondContact O-N 2.74Å
245	E	86.9	Confident	86.6	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-38.7	178.2	-73.9	-170	112.5	0	0	112.5	E68 R223 P243 A249	E68-E245 WeakPolarHBondContact CA-OE1 3.42Å; R223-E245 IonicContact CZ-OE1 3.65Å; R223-E245 IonicContact NH1-OE1 3.8Å; R223-E245 PolarHBondContact NH1-OE1 3.33Å; R223-E245 IonicContact NH1-OE2 3.74Å; R223-E245 PolarHBondContact NH1-OE2 3.33Å; R223-E245 IonicContact NH2-OE1 2.64Å; R223-E245 PolarHBondContact NH2-OE1 3.26Å; P243-E245 PolarHBondContact O-N 3.25Å; E245-A249 PolarHBondContact O-N 2.84Å; E245-A249 VanDerWaalsContact O-N 3.11Å
246	M	90	Very high	86.7	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-44.5	176.8	179.9	57.9	-173.5	0	0	111.2	L187 L220 R223 F224 L227 P243 H244 A249 V250 F273	L187-M246 HydrophobicContact CD1-CG 4.12Å; L187-M246 HydrophobicContact CD2-CE 3.94Å; L187-M246 HydrophobicContact CD2-CG 4.36Å; L220-M246 HydrophobicContact CD1-CE 3.6Å; L220-M246 HydrophobicContact CD1-SD 4.31Å; L220-M246 HydrophobicContact CG-CE 4.22Å; R223-M246 HydrophobicContact CB-SD 3.85Å; F224-M246 HydrophobicContact CB-CE 3.79Å; F224-M246 HydrophobicContact CB-SD 3.97Å; F224-M246 HydrophobicContact CD2-CE 3.87Å; F224-M246 HydrophobicContact CG-CE 4.22Å; F224-M246 PolarHBondContact N-SD 3.43Å; F224-M246 VanDerWaalsContact N-SD 3.41Å; L227-M246 HydrophobicContact CD2-CB 4.04Å; L227-M246 HydrophobicContact CD2-CG 3.92Å; P243-M246 WeakPolarHBondContact O-CB 3.18Å; P243-M246 PolarHBondContact O-N 2.62Å; P243-M246 VanDerWaalsContact O-N 3.1Å; H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.05Å; M246-A249 WeakPolarHBondContact O-CB 3.5Å; M246-A249 PolarHBondContact O-N 3.46Å; M246-V250 HydrophobicContact CE-CG2 4.14Å; M246-V250 WeakPolarHBondContact O-CG2 3.26Å; M246-V250 PolarHBondContact O-N 3.2Å; M246-F273 HydrophobicContact CE-CD2 4.34Å; M246-F273 HydrophobicContact CE-CE2 3.21Å; M246-F273 HydrophobicContact CE-CZ 3.48Å; M246-F273 VanDerWaalsContact CE-CZ 3.48Å
247	L	88.6	Confident	86.8	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-34.5	-179.4	-67.1	167.7	0	0	0	112.4	I177 N180 A183 P243 H244 A249 V250 V251 I260	I177-L247 HydrophobicContact CD1-CD1 3.92Å; N180-L247 HydrophobicContact CB-CD1 3.79Å; N180-L247 HydrophobicContact CB-CD2 4.46Å; N180-L247 WeakPolarHBondContact ND2-CD1 3.5Å; A183-L247 HydrophobicContact CB-CD2 3.67Å; P243-L247 HydrophobicContact CB-CD1 4.12Å; P243-L247 HydrophobicContact CB-CG 4.32Å; P243-L247 HydrophobicContact CG-CD1 3.83Å; P243-L247 WeakPolarHBondContact O-CG 3.45Å; P243-L247 PolarHBondContact O-N 3.07Å; H244-L247 PolarHBondContact O-N 3.3Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-V250 WeakPolarHBondContact O-CB 3.48Å; L247-V250 PolarHBondContact O-N 3.04Å; L247-V251 VanDerWaalsContact O-CG2 3.23Å; L247-V251 WeakPolarHBondContact O-CG2 3.31Å; L247-V251 PolarHBondContact O-N 3.44Å; L247-I260 HydrophobicContact CB-CD1 3.87Å; L247-I260 HydrophobicContact CB-CG1 3.87Å
248	Q	87.8	Confident	87	Confident	81 Å²	81	42 Å²	42	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-61.8	-42.5	170.8	-68.4	-62.1	-18.8	0	0	111.2	H244 V250 V251 L252	H244-Q248 VanDerWaalsContact CE1-CG 3.49Å; H244-Q248 WeakPolarHBondContact CE1-CG 3.32Å; H244-Q248 PolarHBondContact CE1-NE2 3.42Å; H244-Q248 PolarHBondContact NE2-NE2 2.96Å; H244-Q248 VanDerWaalsContact NE2-NE2 3.17Å; H244-Q248 WeakPolarHBondContact O-CG 3.46Å; H244-Q248 PolarHBondContact O-N 2.74Å; Q248-V250 VanDerWaalsContact C-N 3.33Å; Q248-V250 PolarHBondContact O-N 3.27Å; Q248-V251 PolarHBondContact O-N 2.95Å; Q248-L252 WeakPolarHBondContact O-CB 3.13Å; Q248-L252 PolarHBondContact O-N 2.86Å
249	A	88.8	Confident	87.1	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-40.5	173.8	0	0	0	0	0	111.7	L219 L220 R223 E245 M246 L247 L252 C253	L219-A249 HydrophobicContact CD2-CB 4.21Å; L219-A249 HydrophobicContact CG-CB 4.08Å; L220-A249 HydrophobicContact CD1-CB 4.49Å; R223-A249 HydrophobicContact CB-CB 4.17Å; R223-A249 HydrophobicContact CG-CB 3.87Å; E245-A249 PolarHBondContact O-N 2.84Å; E245-A249 VanDerWaalsContact O-N 3.11Å; M246-A249 WeakPolarHBondContact O-CB 3.5Å; M246-A249 PolarHBondContact O-N 3.46Å; L247-A249 VanDerWaalsContact C-N 3.33Å; A249-L252 PolarHBondContact O-N 3.39Å; A249-C253 VanDerWaalsContact O-CB 3.26Å; A249-C253 WeakPolarHBondContact O-CB 3.28Å; A249-C253 PolarHBondContact O-N 2.86Å; A249-C253 PolarHBondContact O-SG 2.88Å
250	V	89.9	Confident	87	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-49	173.4	165	0	0	0	0	111.5	L220 M246 L247 Q248 L252 C253 S254 F258 F269 W272	L220-V250 HydrophobicContact CD1-CG2 3.68Å; M246-V250 HydrophobicContact CE-CG2 4.14Å; M246-V250 WeakPolarHBondContact O-CG2 3.26Å; M246-V250 PolarHBondContact O-N 3.2Å; L247-V250 WeakPolarHBondContact O-CB 3.48Å; L247-V250 PolarHBondContact O-N 3.04Å; Q248-V250 VanDerWaalsContact C-N 3.33Å; Q248-V250 PolarHBondContact O-N 3.27Å; V250-L252 VanDerWaalsContact C-N 3.32Å; V250-L252 PolarHBondContact O-N 2.74Å; V250-C253 PolarHBondContact O-N 3.42Å; V250-S254 WeakPolarHBondContact O-CB 3.33Å; V250-S254 PolarHBondContact O-N 2.64Å; V250-S254 PolarHBondContact O-OG 2.93Å; V250-F258 HydrophobicContact CG1-CB 3.8Å; V250-F269 HydrophobicContact CB-CE2 4.44Å; V250-F269 HydrophobicContact CG1-CD2 4.34Å; V250-F269 HydrophobicContact CG1-CE2 3.63Å; V250-F269 HydrophobicContact CG2-CE2 3.92Å; V250-F269 HydrophobicContact CG2-CZ 4.16Å; V250-W272 HydrophobicContact CB-CH2 4.4Å; V250-W272 HydrophobicContact CB-CZ3 4.35Å; V250-W272 HydrophobicContact CG1-CH2 4.14Å; V250-W272 HydrophobicContact CG1-CZ3 3.83Å; V250-W272 HydrophobicContact CG2-CH2 4.46Å; V250-W272 HydrophobicContact CG2-CZ3 4.16Å
251	V	90.4	Very high	86.9	Confident	28 Å²	28	44.1 Å²	44.1	17%	0.17	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-44.4	-179.9	172.7	0	0	0	0	110.8	L247 Q248 S254 K255 K256 F258 I260	L247-V251 VanDerWaalsContact O-CG2 3.23Å; L247-V251 WeakPolarHBondContact O-CG2 3.31Å; L247-V251 PolarHBondContact O-N 3.44Å; Q248-V251 PolarHBondContact O-N 2.95Å; V251-S254 PolarHBondContact O-OG 3.28Å; V251-K255 PolarHBondContact O-N 2.97Å; V251-K256 HydrophobicContact CG1-CG 4.28Å; V251-K256 PolarHBondContact O-N 3.43Å; V251-F258 VanDerWaalsContact CG2-O 3.23Å; V251-F258 WeakPolarHBondContact CG2-O 3.22Å; V251-I260 HydrophobicContact CG2-CD1 4.21Å; V251-I260 HydrophobicContact CG2-CG1 3.92Å
252	L	88.6	Confident	86.6	Confident	95 Å²	95	51.1 Å²	51.1	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-48.6	179.7	-174.7	65.6	0	0	0	111.5	L219 Q248 A249 V250 K255	L219-L252 HydrophobicContact CD2-CD2 4.15Å; Q248-L252 WeakPolarHBondContact O-CB 3.13Å; Q248-L252 PolarHBondContact O-N 2.86Å; A249-L252 PolarHBondContact O-N 3.39Å; V250-L252 VanDerWaalsContact C-N 3.32Å; V250-L252 PolarHBondContact O-N 2.74Å; L252-K255 PolarHBondContact O-N 3.47Å
253	C	87.3	Confident	86.3	Confident	5 Å²	5	53 Å²	53	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-36.6	-178.4	-65.3	0	0	0	0	112.1	I216 M217 A249 V250 K255 W272	I216-C253 PolarHBondContact O-SG 3.27Å; M217-C253 VanDerWaalsContact CE-CA 3.49Å; M217-C253 HydrophobicContact CE-CB 3.54Å; M217-C253 VanDerWaalsContact CE-O 3.27Å; M217-C253 WeakPolarHBondContact CE-O 3.41Å; M217-C253 HydrophobicContact SD-CB 3.9Å; A249-C253 VanDerWaalsContact O-CB 3.26Å; A249-C253 WeakPolarHBondContact O-CB 3.28Å; A249-C253 PolarHBondContact O-N 2.86Å; A249-C253 PolarHBondContact O-SG 2.88Å; V250-C253 PolarHBondContact O-N 3.42Å; C253-K255 PolarHBondContact O-N 2.78Å; C253-W272 HydrophobicContact CB-CH2 3.97Å; C253-W272 HydrophobicContact CB-CZ2 3.8Å
254	S	86.6	Confident	86.1	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.042	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.9	178.1	69.2	0	0	0	0	113.3	V250 V251 K256 T257 F258	V250-S254 WeakPolarHBondContact O-CB 3.33Å; V250-S254 PolarHBondContact O-N 2.64Å; V250-S254 PolarHBondContact O-OG 2.93Å; V251-S254 PolarHBondContact O-OG 3.28Å; S254-K256 PolarHBondContact O-N 3.1Å; S254-T257 WeakPolarHBondContact O-CB 3.34Å; S254-T257 PolarHBondContact O-N 2.87Å; S254-T257 PolarHBondContact O-OG1 2.99Å; S254-F258 PolarHBondContact OG-N 2.91Å
255	K	85.5	Confident	86.2	Confident	178 Å²	178	53.6 Å²	53.6	77%	0.774	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.5	-176.9	-56.6	178.1	-179.1	178.1	0	112.3	V251 L252 C253 T257	V251-K255 PolarHBondContact O-N 2.97Å; L252-K255 PolarHBondContact O-N 3.47Å; C253-K255 PolarHBondContact O-N 2.78Å; K255-T257 VanDerWaalsContact C-N 3.31Å; K255-T257 PolarHBondContact O-N 3.33Å
256	K	85	Confident	86.4	Confident	147 Å²	147	53 Å²	53	64%	0.639	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	17	-177.9	-50.4	177.6	177.2	179.2	0	115.7	V251 S254 Q259	V251-K256 HydrophobicContact CG1-CG 4.28Å; V251-K256 PolarHBondContact O-N 3.43Å; S254-K256 PolarHBondContact O-N 3.1Å; K256-Q259 HydrophobicContact CB-CG 4.47Å; K256-Q259 VanDerWaalsContact O-CG 3.31Å; K256-Q259 WeakPolarHBondContact O-CG 3.47Å; K256-Q259 PolarHBondContact O-NE2 3.3Å
257	T	83.6	Confident	86.4	Confident	104 Å²	104	53.8 Å²	53.8	64%	0.638	27%	0.272	S	S	*	.	S	Bend	trans	-65.7	-46.2	169.7	-60.1	0	0	0	0	111	S254 K255	S254-T257 WeakPolarHBondContact O-CB 3.34Å; S254-T257 PolarHBondContact O-N 2.87Å; S254-T257 PolarHBondContact O-OG1 2.99Å; K255-T257 VanDerWaalsContact C-N 3.31Å; K255-T257 PolarHBondContact O-N 3.33Å
258	F	85.8	Confident	86.6	Confident	17 Å²	17	58.3 Å²	58.3	8%	0.075	30%	0.296	C	S	.	.	S	Bend	trans	-104	103	176.8	-58.7	-69.2	0	0	0	109	Y182 V250 V251 S254 D268 F269 W272	Y182-F258 HydrophobicContact CE2-CD1 4.15Å; V250-F258 HydrophobicContact CG1-CB 3.8Å; V251-F258 VanDerWaalsContact CG2-O 3.23Å; V251-F258 WeakPolarHBondContact CG2-O 3.22Å; S254-F258 PolarHBondContact OG-N 2.91Å; F258-D268 HydrophobicContact CE1-CB 4.22Å; F258-D268 HydrophobicContact CZ-CB 4.31Å; F258-F269 HydrophobicContact CB-CD2 4.4Å; F258-F269 HydrophobicContact CD1-CB 4.12Å; F258-F269 HydrophobicContact CD1-CD2 4.16Å; F258-F269 HydrophobicContact CD2-CD2 4.18Å; F258-F269 HydrophobicContact CE1-CB 3.93Å; F258-F269 AromaticContact CG-CD2 3.97Å; F258-F269 HydrophobicContact CG-CD2 3.97Å; F258-F269 HydrophobicContact CZ-CB 4.4Å; F258-W272 AromaticContact CD2-CD2 3.9Å; F258-W272 HydrophobicContact CD2-CD2 3.9Å; F258-W272 AromaticContact CD2-CE3 3.78Å; F258-W272 HydrophobicContact CD2-CE3 3.78Å; F258-W272 HydrophobicContact CD2-CG 4.29Å; F258-W272 HydrophobicContact CD2-CZ3 4.29Å; F258-W272 HydrophobicContact CE2-CB 3.59Å; F258-W272 AromaticContact CE2-CD2 3.58Å; F258-W272 HydrophobicContact CE2-CD2 3.58Å; F258-W272 AromaticContact CE2-CE3 3.78Å; F258-W272 HydrophobicContact CE2-CE3 3.78Å; F258-W272 AromaticContact CE2-CG 3.49Å; F258-W272 HydrophobicContact CE2-CG 3.49Å; F258-W272 VanDerWaalsContact CE2-CG 3.49Å; F258-W272 HydrophobicContact CZ-CB 3.96Å; F258-W272 HydrophobicContact CZ-CG 4.35Å
259	Q	82.7	Confident	86.8	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	28%	0.278	S	S	.	.			trans	-97.7	156.6	-178.8	-61.9	178.6	14.5	0	0	110.7	Y182 K256 K262	Y182-Q259 PolarHBondContact OH-O 3.31Å; K256-Q259 HydrophobicContact CB-CG 4.47Å; K256-Q259 VanDerWaalsContact O-CG 3.31Å; K256-Q259 WeakPolarHBondContact O-CG 3.47Å; K256-Q259 PolarHBondContact O-NE2 3.3Å; Q259-K262 HydrophobicContact CB-CB 4.4Å
260	I	80.8	Confident	87.1	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.108	28%	0.277	C	S	.	.	S	Bend	trans	-78.7	-29.5	175	-57	167.4	0	0	0	110.6	I177 A179 L247 V251	I177-I260 HydrophobicContact CB-CG2 3.82Å; I177-I260 HydrophobicContact CD1-CG2 4.39Å; I177-I260 HydrophobicContact CG2-CG2 3.76Å; A179-I260 PolarHBondContact N-O 3.14Å; L247-I260 HydrophobicContact CB-CD1 3.87Å; L247-I260 HydrophobicContact CB-CG1 3.87Å; V251-I260 HydrophobicContact CG2-CD1 4.21Å; V251-I260 HydrophobicContact CG2-CG1 3.92Å
261	T	82.4	Confident	87.2	Confident	86 Å²	86	56 Å²	56	53%	0.528	29%	0.287	S	S	.	.	S	Bend	trans	-82.3	-18.9	-177.4	47.8	0	0	0	0	113.7	K178	K178-T261 HydrophobicContact CD-CG2 4.12Å
262	K	84.1	Confident	87.3	Confident	148 Å²	148	57.4 Å²	57.4	64%	0.643	29%	0.289	S	S	*	.	S	Bend	trans	-127.6	125.9	-177	-174.9	-178.9	179	-177.9	0	109.1	Q259 G264	Q259-K262 HydrophobicContact CB-CB 4.4Å; K262-G264 PolarHBondContact O-N 2.93Å
263	Q	82.6	Confident	87.5	Confident	48 Å²	48	52.9 Å²	52.9	22%	0.224	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.2	132.3	176	-153.6	179.3	21.3	0	0	110.6	A179 D181 Y182 G458 Y460	A179-Q263 HydrophobicContact CB-CB 4.11Å; A179-Q263 WeakPolarHBondContact O-CA 3.2Å; D181-Q263 WeakPolarHBondContact OD1-CG 3.36Å; D181-Q263 PolarHBondContact OD1-NE2 2.78Å; D181-Q263 PolarHBondContact OD2-NE2 2.8Å; Y182-Q263 HydrophobicContact CD1-CG 3.86Å; Q263-G458 PolarHBondContact NE2-O 3.38Å; Q263-G458 PolarHBondContact OE1-O 3.49Å; Q263-Y460 HydrophobicContact CG-CE2 4.27Å
264	G	84.4	Confident	87.6	Confident	20 Å²	20	52.6 Å²	52.6	21%	0.206	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-102.8	173.5	171.9	0	0	0	0	0	111.5	Y182 K262	Y182-G264 WeakPolarHBondContact CB-O 3.38Å; Y182-G264 VanDerWaalsContact CD1-N 3.32Å; K262-G264 PolarHBondContact O-N 2.93Å
265	D	88.3	Confident	87.8	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.203	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.8	131.5	169	-167.8	-59.7	0	0	0	110	V267 D268 F269 F403 Y494	D265-V267 VanDerWaalsContact C-N 3.32Å; D265-V267 PolarHBondContact O-N 3.44Å; D265-V267 WeakPolarHBondContact OD1-CB 3.43Å; D265-V267 PolarHBondContact OD1-N 3.41Å; D265-D268 HydrophobicContact CB-CB 4.11Å; D265-D268 PolarHBondContact O-N 3.31Å; D265-F269 WeakPolarHBondContact O-CB 3.24Å; D265-F269 PolarHBondContact O-N 2.85Å; D265-F403 WeakPolarHBondContact OD2-CD2 3.34Å; D265-Y494 PolarHBondContact OD1-OH 3.03Å; D265-Y494 PolarHBondContact OD2-OH 3.31Å
266	A	90.6	Very high	88	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-32.8	-180	0	0	0	0	0	113.1	V186 M270 Y460 Y494 I495	V186-A266 HydrophobicContact CG2-CB 3.94Å; A266-M270 WeakPolarHBondContact O-CB 3.38Å; A266-M270 PolarHBondContact O-N 3.29Å; A266-Y460 HydrophobicContact CB-CD1 3.94Å; A266-Y460 HydrophobicContact CB-CE1 3.43Å; A266-Y460 VanDerWaalsContact CB-CE1 3.43Å; A266-Y460 PolarHBondContact N-OH 3.47Å; A266-Y494 HydrophobicContact CB-CD1 4.29Å; A266-Y494 HydrophobicContact CB-CE1 4.05Å; A266-I495 HydrophobicContact CB-CD1 3.85Å
267	V	91.4	Very high	88.1	Confident	21 Å²	21	41.5 Å²	41.5	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-42.3	177.7	172.8	0	0	0	0	110.6	D265 M270 T271 C399 Y494 I495	D265-V267 VanDerWaalsContact C-N 3.32Å; D265-V267 PolarHBondContact O-N 3.44Å; D265-V267 WeakPolarHBondContact OD1-CB 3.43Å; D265-V267 PolarHBondContact OD1-N 3.41Å; V267-M270 PolarHBondContact O-N 2.78Å; V267-T271 VanDerWaalsContact O-CB 3.28Å; V267-T271 WeakPolarHBondContact O-CB 3.07Å; V267-T271 PolarHBondContact O-N 2.96Å; V267-T271 PolarHBondContact O-OG1 2.91Å; V267-C399 HydrophobicContact CG1-CB 4.25Å; V267-C399 HydrophobicContact CG2-CB 4.09Å; V267-Y494 HydrophobicContact CB-CE1 4.42Å; V267-Y494 HydrophobicContact CG2-CD1 4.33Å; V267-Y494 HydrophobicContact CG2-CE1 3.6Å; V267-Y494 HydrophobicContact CG2-CE2 4.06Å; V267-Y494 VanDerWaalsContact CG2-CZ 3.41Å; V267-Y494 WeakPolarHBondContact CG2-OH 3.45Å; V267-I495 HydrophobicContact CG2-CD1 3.78Å; V267-I495 HydrophobicContact CG2-CG1 3.68Å
268	D	91.4	Very high	88.3	Confident	99 Å²	99	38.5 Å²	38.5	53%	0.529	20%	0.2	S	C	.	.	H	α-helix	trans	-64.6	-45.1	176.5	-73.3	-18.2	0	0	0	110.9	F258 D265 T271 W272	F258-D268 HydrophobicContact CE1-CB 4.22Å; F258-D268 HydrophobicContact CZ-CB 4.31Å; D265-D268 HydrophobicContact CB-CB 4.11Å; D265-D268 PolarHBondContact O-N 3.31Å; D268-T271 PolarHBondContact O-N 3.21Å; D268-W272 WeakPolarHBondContact O-CB 3.22Å; D268-W272 PolarHBondContact O-N 2.77Å
269	F	92.9	Very high	88.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-49.1	175.3	174.8	-109.3	0	0	0	111.3	Y182 A183 V186 V250 F258 D265 T271 W272 F273	Y182-F269 HydrophobicContact CD2-CB 3.79Å; Y182-F269 HydrophobicContact CD2-CD1 4.32Å; Y182-F269 AromaticContact CD2-CG 4Å; Y182-F269 HydrophobicContact CD2-CG 4Å; Y182-F269 HydrophobicContact CE2-CB 3.84Å; Y182-F269 HydrophobicContact CE2-CD1 4.48Å; Y182-F269 HydrophobicContact CE2-CD2 4.07Å; Y182-F269 AromaticContact CE2-CG 3.86Å; Y182-F269 HydrophobicContact CE2-CG 3.86Å; A183-F269 HydrophobicContact CB-CD1 4.17Å; A183-F269 HydrophobicContact CB-CE1 3.78Å; A183-F269 HydrophobicContact CB-CE2 4.45Å; A183-F269 HydrophobicContact CB-CZ 3.93Å; V186-F269 HydrophobicContact CB-CD1 3.78Å; V186-F269 HydrophobicContact CB-CE1 3.88Å; V186-F269 HydrophobicContact CG1-CD1 3.81Å; V186-F269 HydrophobicContact CG1-CE1 3.79Å; V186-F269 HydrophobicContact CG2-CD1 4.03Å; V250-F269 HydrophobicContact CB-CE2 4.44Å; V250-F269 HydrophobicContact CG1-CD2 4.34Å; V250-F269 HydrophobicContact CG1-CE2 3.63Å; V250-F269 HydrophobicContact CG2-CE2 3.92Å; V250-F269 HydrophobicContact CG2-CZ 4.16Å; F258-F269 HydrophobicContact CB-CD2 4.4Å; F258-F269 HydrophobicContact CD1-CB 4.12Å; F258-F269 HydrophobicContact CD1-CD2 4.16Å; F258-F269 HydrophobicContact CD2-CD2 4.18Å; F258-F269 HydrophobicContact CE1-CB 3.93Å; F258-F269 AromaticContact CG-CD2 3.97Å; F258-F269 HydrophobicContact CG-CD2 3.97Å; F258-F269 HydrophobicContact CZ-CB 4.4Å; D265-F269 WeakPolarHBondContact O-CB 3.24Å; D265-F269 PolarHBondContact O-N 2.85Å; F269-T271 PolarHBondContact O-N 2.91Å; F269-W272 HydrophobicContact CD2-CE3 4.16Å; F269-W272 HydrophobicContact CD2-CZ3 4.4Å; F269-W272 HydrophobicContact CE2-CE3 4.15Å; F269-W272 AromaticContact CE2-CZ3 3.97Å; F269-W272 HydrophobicContact CE2-CZ3 3.97Å; F269-W272 PolarHBondContact O-N 2.83Å; F269-F273 HydrophobicContact CZ-CB 4.44Å; F269-F273 HydrophobicContact CZ-CD2 4.21Å; F269-F273 HydrophobicContact CZ-CG 4.34Å; F269-F273 WeakPolarHBondContact O-CB 3.17Å; F269-F273 PolarHBondContact O-N 2.64Å
270	M	94.2	Very high	88.2	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-45.4	178.3	-172.3	-163	66.5	0	0	111.8	V186 F190 A266 V267 F273 L274 F336 I397 C399 I495	V186-M270 HydrophobicContact CG1-CB 3.98Å; V186-M270 HydrophobicContact CG1-CG 4.07Å; V186-M270 HydrophobicContact CG2-CB 4.2Å; F190-M270 HydrophobicContact CE1-CG 4.37Å; F190-M270 HydrophobicContact CE2-CG 3.88Å; F190-M270 HydrophobicContact CZ-CG 3.36Å; F190-M270 HydrophobicContact CZ-SD 4.12Å; A266-M270 WeakPolarHBondContact O-CB 3.38Å; A266-M270 PolarHBondContact O-N 3.29Å; V267-M270 PolarHBondContact O-N 2.78Å; M270-F273 PolarHBondContact O-N 2.72Å; M270-L274 HydrophobicContact CG-CD1 4.21Å; M270-L274 WeakPolarHBondContact O-CB 3.39Å; M270-L274 WeakPolarHBondContact O-CG 3.4Å; M270-L274 PolarHBondContact O-N 2.84Å; M270-F336 HydrophobicContact CE-CB 4.23Å; M270-F336 HydrophobicContact CE-CD1 3.84Å; M270-F336 HydrophobicContact CE-CE1 4.34Å; M270-F336 HydrophobicContact CE-CG 3.99Å; M270-I397 HydrophobicContact CE-CG2 4Å; M270-I397 HydrophobicContact SD-CD1 4.28Å; M270-I397 HydrophobicContact SD-CG2 3.83Å; M270-C399 WeakPolarHBondContact CE-SG 3.38Å; M270-I495 HydrophobicContact SD-CD1 4.27Å; M270-I495 HydrophobicContact SD-CG2 3.79Å
271	T	92	Very high	88.3	Confident	35 Å²	35	36 Å²	36	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-49	179.4	-60.9	0	0	0	0	111	V267 D268 F269 F273 N275 F336	V267-T271 VanDerWaalsContact O-CB 3.28Å; V267-T271 WeakPolarHBondContact O-CB 3.07Å; V267-T271 PolarHBondContact O-N 2.96Å; V267-T271 PolarHBondContact O-OG1 2.91Å; D268-T271 PolarHBondContact O-N 3.21Å; F269-T271 PolarHBondContact O-N 2.91Å; T271-F273 VanDerWaalsContact C-N 3.33Å; T271-N275 WeakPolarHBondContact O-CB 3.45Å; T271-N275 PolarHBondContact O-N 2.7Å; T271-N275 PolarHBondContact O-ND2 2.87Å; T271-F336 HydrophobicContact CG2-CE1 3.9Å; T271-F336 HydrophobicContact CG2-CZ 3.98Å; T271-F336 VanDerWaalsContact OG1-CE1 3.28Å; T271-F336 WeakPolarHBondContact OG1-CE1 3.46Å; T271-F336 WeakPolarHBondContact OG1-CZ 3.43Å
272	W	93.2	Very high	87.7	Confident	58 Å²	58	33.6 Å²	33.6	22%	0.22	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175.7	170.6	82.8	0	0	0	111.2	L220 V250 C253 F258 D268 F269 N275 A276	L220-W272 HydrophobicContact CD1-CH2 4.37Å; L220-W272 HydrophobicContact CD2-CH2 4.16Å; L220-W272 HydrophobicContact CD2-CZ3 4.5Å; V250-W272 HydrophobicContact CB-CH2 4.4Å; V250-W272 HydrophobicContact CB-CZ3 4.35Å; V250-W272 HydrophobicContact CG1-CH2 4.14Å; V250-W272 HydrophobicContact CG1-CZ3 3.83Å; V250-W272 HydrophobicContact CG2-CH2 4.46Å; V250-W272 HydrophobicContact CG2-CZ3 4.16Å; C253-W272 HydrophobicContact CB-CH2 3.97Å; C253-W272 HydrophobicContact CB-CZ2 3.8Å; F258-W272 AromaticContact CD2-CD2 3.9Å; F258-W272 HydrophobicContact CD2-CD2 3.9Å; F258-W272 AromaticContact CD2-CE3 3.78Å; F258-W272 HydrophobicContact CD2-CE3 3.78Å; F258-W272 HydrophobicContact CD2-CG 4.29Å; F258-W272 HydrophobicContact CD2-CZ3 4.29Å; F258-W272 HydrophobicContact CE2-CB 3.59Å; F258-W272 AromaticContact CE2-CD2 3.58Å; F258-W272 HydrophobicContact CE2-CD2 3.58Å; F258-W272 AromaticContact CE2-CE3 3.78Å; F258-W272 HydrophobicContact CE2-CE3 3.78Å; F258-W272 AromaticContact CE2-CG 3.49Å; F258-W272 HydrophobicContact CE2-CG 3.49Å; F258-W272 VanDerWaalsContact CE2-CG 3.49Å; F258-W272 HydrophobicContact CZ-CB 3.96Å; F258-W272 HydrophobicContact CZ-CG 4.35Å; D268-W272 WeakPolarHBondContact O-CB 3.22Å; D268-W272 PolarHBondContact O-N 2.77Å; F269-W272 HydrophobicContact CD2-CE3 4.16Å; F269-W272 HydrophobicContact CD2-CZ3 4.4Å; F269-W272 HydrophobicContact CE2-CE3 4.15Å; F269-W272 AromaticContact CE2-CZ3 3.97Å; F269-W272 HydrophobicContact CE2-CZ3 3.97Å; F269-W272 PolarHBondContact O-N 2.83Å; W272-N275 PolarHBondContact O-N 2.84Å; W272-A276 HydrophobicContact CZ2-CB 4.24Å; W272-A276 VanDerWaalsContact O-CB 3.24Å; W272-A276 WeakPolarHBondContact O-CB 3.27Å; W272-A276 PolarHBondContact O-N 3.27Å
273	F	92.4	Very high	86.8	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-47.1	-176.1	-173.5	-110.8	0	0	0	112.5	L187 F190 L220 F224 M246 F269 M270 T271 N275 A276 L277	L187-F273 HydrophobicContact CD2-CE1 4.32Å; L187-F273 HydrophobicContact CD2-CZ 4.07Å; F190-F273 AromaticContact CD2-CD1 3.84Å; F190-F273 HydrophobicContact CD2-CD1 3.84Å; F190-F273 AromaticContact CD2-CE1 3.88Å; F190-F273 HydrophobicContact CD2-CE1 3.88Å; F190-F273 AromaticContact CE2-CD1 3.64Å; F190-F273 HydrophobicContact CE2-CD1 3.64Å; F190-F273 HydrophobicContact CE2-CE1 4.17Å; L220-F273 HydrophobicContact CD1-CD2 4.29Å; L220-F273 HydrophobicContact CD1-CE2 3.82Å; L220-F273 HydrophobicContact CD2-CD2 3.89Å; L220-F273 HydrophobicContact CD2-CE2 3.79Å; L220-F273 HydrophobicContact CG-CD2 4.34Å; L220-F273 HydrophobicContact CG-CE2 3.78Å; F224-F273 HydrophobicContact CB-CZ 4.37Å; F224-F273 HydrophobicContact CD1-CZ 4.38Å; F224-F273 HydrophobicContact CD2-CE1 4.23Å; F224-F273 AromaticContact CD2-CZ 3.64Å; F224-F273 HydrophobicContact CD2-CZ 3.64Å; F224-F273 HydrophobicContact CE2-CE1 4.07Å; F224-F273 AromaticContact CE2-CZ 3.95Å; F224-F273 HydrophobicContact CE2-CZ 3.95Å; F224-F273 AromaticContact CG-CZ 3.88Å; F224-F273 HydrophobicContact CG-CZ 3.88Å; F224-F273 HydrophobicContact CZ-CE1 4.29Å; F224-F273 HydrophobicContact CZ-CZ 4.45Å; M246-F273 HydrophobicContact CE-CD2 4.34Å; M246-F273 HydrophobicContact CE-CE2 3.21Å; M246-F273 HydrophobicContact CE-CZ 3.48Å; M246-F273 VanDerWaalsContact CE-CZ 3.48Å; F269-F273 HydrophobicContact CZ-CB 4.44Å; F269-F273 HydrophobicContact CZ-CD2 4.21Å; F269-F273 HydrophobicContact CZ-CG 4.34Å; F269-F273 WeakPolarHBondContact O-CB 3.17Å; F269-F273 PolarHBondContact O-N 2.64Å; M270-F273 PolarHBondContact O-N 2.72Å; T271-F273 VanDerWaalsContact C-N 3.33Å; F273-N275 VanDerWaalsContact C-N 3.34Å; F273-N275 PolarHBondContact O-N 2.91Å; F273-A276 PolarHBondContact O-N 3.39Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.43Å; F273-L277 HydrophobicContact CE1-CD1 3.36Å; F273-L277 HydrophobicContact CE1-CG 4.11Å; F273-L277 HydrophobicContact CE2-CD1 4.24Å; F273-L277 HydrophobicContact CE2-CD2 4.35Å; F273-L277 HydrophobicContact CE2-CG 4.15Å; F273-L277 HydrophobicContact CZ-CD1 3.55Å; F273-L277 HydrophobicContact CZ-CD2 4.21Å; F273-L277 HydrophobicContact CZ-CG 3.95Å; F273-L277 WeakPolarHBondContact O-CB 3.16Å; F273-L277 WeakPolarHBondContact O-CG 3.44Å; F273-L277 PolarHBondContact O-N 3.45Å
274	L	90.6	Very high	85.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-41.6	176.6	-71.3	174.9	0	0	0	111.9	F190 M270 H278 I291 F295 L335 I397	F190-L274 HydrophobicContact CE1-CD1 4.45Å; F190-L274 HydrophobicContact CE1-CD2 3.91Å; F190-L274 HydrophobicContact CE1-CG 4.42Å; F190-L274 HydrophobicContact CE2-CD2 4.13Å; F190-L274 HydrophobicContact CE2-CG 4.3Å; F190-L274 HydrophobicContact CZ-CD1 3.94Å; F190-L274 HydrophobicContact CZ-CD2 3.54Å; F190-L274 HydrophobicContact CZ-CG 3.69Å; M270-L274 HydrophobicContact CG-CD1 4.21Å; M270-L274 WeakPolarHBondContact O-CB 3.39Å; M270-L274 WeakPolarHBondContact O-CG 3.4Å; M270-L274 PolarHBondContact O-N 2.84Å; L274-H278 WeakPolarHBondContact O-CB 3.26Å; L274-H278 PolarHBondContact O-N 3.35Å; L274-I291 HydrophobicContact CB-CG2 4.36Å; L274-I291 HydrophobicContact CD2-CD1 4.23Å; L274-I291 HydrophobicContact CD2-CG2 3.96Å; L274-F295 HydrophobicContact CD2-CD2 4.16Å; L274-F295 HydrophobicContact CD2-CE2 4.16Å; L274-L335 HydrophobicContact CB-CD1 4.14Å; L274-L335 HydrophobicContact CD1-CB 4.45Å; L274-I397 HydrophobicContact CD1-CD1 4.02Å
275	N	89.8	Confident	84.3	Confident	85 Å²	85	38.1 Å²	38.1	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-41.3	177.2	-74	-43.6	0	0	0	112.1	T271 W272 F273 H278 G279	T271-N275 WeakPolarHBondContact O-CB 3.45Å; T271-N275 PolarHBondContact O-N 2.7Å; T271-N275 PolarHBondContact O-ND2 2.87Å; W272-N275 PolarHBondContact O-N 2.84Å; F273-N275 VanDerWaalsContact C-N 3.34Å; F273-N275 PolarHBondContact O-N 2.91Å; N275-H278 PolarHBondContact O-N 2.76Å; N275-G279 PolarHBondContact O-N 3.04Å
276	A	89.7	Confident	82.5	Confident	13 Å²	13	46 Å²	46	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-44.9	176.8	0	0	0	0	0	111.2	L220 W272 F273 G279 A280	L220-A276 HydrophobicContact CD2-CB 3.71Å; W272-A276 HydrophobicContact CZ2-CB 4.24Å; W272-A276 VanDerWaalsContact O-CB 3.24Å; W272-A276 WeakPolarHBondContact O-CB 3.27Å; W272-A276 PolarHBondContact O-N 3.27Å; F273-A276 PolarHBondContact O-N 3.39Å; A276-G279 PolarHBondContact O-N 2.69Å; A276-A280 VanDerWaalsContact O-CB 3.22Å; A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3Å
277	L	88.1	Confident	81.2	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-43.4	174.1	-74	-176.2	0	0	0	111.9	F200 L220 V221 F224 F273 G279 A280 L281 I291	F200-L277 HydrophobicContact CZ-CD1 4.37Å; F200-L277 HydrophobicContact CZ-CD2 4.24Å; L220-L277 HydrophobicContact CD2-CD2 4.18Å; L220-L277 HydrophobicContact CD2-CG 4.48Å; L220-L277 HydrophobicContact CG-CD2 4.24Å; V221-L277 HydrophobicContact CG2-CD2 3.91Å; F224-L277 HydrophobicContact CD1-CD1 4.29Å; F224-L277 HydrophobicContact CE1-CD1 4.39Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.43Å; F273-L277 HydrophobicContact CE1-CD1 3.36Å; F273-L277 HydrophobicContact CE1-CG 4.11Å; F273-L277 HydrophobicContact CE2-CD1 4.24Å; F273-L277 HydrophobicContact CE2-CD2 4.35Å; F273-L277 HydrophobicContact CE2-CG 4.15Å; F273-L277 HydrophobicContact CZ-CD1 3.55Å; F273-L277 HydrophobicContact CZ-CD2 4.21Å; F273-L277 HydrophobicContact CZ-CG 3.95Å; F273-L277 WeakPolarHBondContact O-CB 3.16Å; F273-L277 WeakPolarHBondContact O-CG 3.44Å; F273-L277 PolarHBondContact O-N 3.45Å; L277-G279 PolarHBondContact O-N 2.91Å; L277-A280 PolarHBondContact O-N 3.49Å; L277-L281 VanDerWaalsContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CD1 3.36Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.22Å; L277-I291 HydrophobicContact CB-CD1 4.2Å; L277-I291 HydrophobicContact CB-CG1 4.11Å; L277-I291 HydrophobicContact CD1-CD1 4.09Å
278	H	86.2	Confident	80.1	Confident	40 Å²	40	55.7 Å²	55.7	19%	0.185	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-47.6	176.6	175.1	76.9	0	0	0	111.3	L274 N275 G283 S289 I291 T292	L274-H278 WeakPolarHBondContact O-CB 3.26Å; L274-H278 PolarHBondContact O-N 3.35Å; N275-H278 PolarHBondContact O-N 2.76Å; H278-G283 WeakPolarHBondContact O-CA 3.44Å; H278-G283 PolarHBondContact O-N 3.41Å; H278-S289 PolarHBondContact ND1-OG 3.34Å; H278-I291 HydrophobicContact CB-CB 4.46Å; H278-T292 PolarHBondContact CE1-OG1 3.5Å; H278-T292 PolarHBondContact ND1-OG1 3.11Å
279	G	84.2	Confident	79.6	Confident	44 Å²	44	51.4 Å²	51.4	45%	0.454	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-46	177.1	0	0	0	0	0	113.1	N275 A276 L277 L281 G282	N275-G279 PolarHBondContact O-N 3.04Å; A276-G279 PolarHBondContact O-N 2.69Å; L277-G279 PolarHBondContact O-N 2.91Å; G279-L281 VanDerWaalsContact C-N 3.3Å; G279-L281 PolarHBondContact O-N 3.23Å; G279-G282 PolarHBondContact O-N 3.46Å; G279-G282 VanDerWaalsContact O-N 3.1Å
280	A	83.9	Confident	79.2	Confident	5 Å²	5	52.8 Å²	52.8	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-28.6	-178.5	0	0	0	0	0	113.5	M217 V221 A276 L277 G282	M217-A280 HydrophobicContact CB-CB 3.93Å; V221-A280 HydrophobicContact CG2-CB 3.44Å; V221-A280 VanDerWaalsContact CG2-CB 3.44Å; A276-A280 VanDerWaalsContact O-CB 3.22Å; A276-A280 WeakPolarHBondContact O-CB 3.47Å; A276-A280 PolarHBondContact O-N 3Å; L277-A280 PolarHBondContact O-N 3.49Å; A280-G282 PolarHBondContact O-N 3.06Å
281	L	82.4	Confident	78.9	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.073	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	10.9	175	-71.3	168.7	0	0	0	113.2	Y199 F200 I209 V221 L277 G279 G283 I290 I291	Y199-L281 HydrophobicContact CE1-CD1 4.4Å; Y199-L281 HydrophobicContact CE1-CD2 3.8Å; F200-L281 HydrophobicContact CZ-CD1 4.28Å; I209-L281 HydrophobicContact CD1-CB 4.5Å; I209-L281 HydrophobicContact CD1-CD2 3.73Å; V221-L281 HydrophobicContact CG1-CD2 3.73Å; V221-L281 HydrophobicContact CG1-CG 4.44Å; V221-L281 HydrophobicContact CG2-CD2 4.3Å; V221-L281 HydrophobicContact CG2-CG 4.19Å; L277-L281 VanDerWaalsContact O-CB 3.29Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CD1 3.36Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.22Å; G279-L281 VanDerWaalsContact C-N 3.3Å; G279-L281 PolarHBondContact O-N 3.23Å; L281-G283 PolarHBondContact O-N 2.68Å; L281-I290 HydrophobicContact CD1-CG2 3.75Å; L281-I291 HydrophobicContact CD1-CG1 4.37Å
282	G	70.1	Confident	78.5	Confident	35 Å²	35	51.7 Å²	51.7	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	15.6	-177	0	0	0	0	0	113.3	G279 A280 T284	G279-G282 PolarHBondContact O-N 3.46Å; G279-G282 VanDerWaalsContact O-N 3.1Å; A280-G282 PolarHBondContact O-N 3.06Å; G282-T284 PolarHBondContact O-N 2.86Å
283	G	63.6	Low	78.2	Confident	9 Å²	9	55.6 Å²	55.6	9%	0.093	30%	0.295	C	S	.	.			trans	-64.4	125.7	169.8	0	0	0	0	0	109.5	H278 L281 K287	H278-G283 WeakPolarHBondContact O-CA 3.44Å; H278-G283 PolarHBondContact O-N 3.41Å; L281-G283 PolarHBondContact O-N 2.68Å; G283-K287 WeakPolarHBondContact CA-O 3.32Å
284	T	60.4	Low	78.1	Confident	76 Å²	76	55.8 Å²	55.8	47%	0.466	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-126.6	169.6	170.3	55.7	0	0	0	0	107.3	G282 K286 K287	G282-T284 PolarHBondContact O-N 2.86Å; T284-K286 PolarHBondContact O-N 2.83Å; T284-K287 PolarHBondContact N-O 2.74Å; T284-K287 CarbonylContact O-C 3.36Å; T284-K287 PolarHBondContact O-N 3.05Å; T284-K287 PolarHBondContact OG1-N 3.36Å
285	K	54.1	Low	78.1	Confident	226 Å²	226	55.8 Å²	55.8	98%	0.983	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-19.5	173.1	-65.8	-172.2	177.9	-174.9	0	113.9
286	K	51.9	Low	78.1	Confident	205 Å²	205	54.6 Å²	54.6	89%	0.891	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.6	177	-65.2	-174.1	177.9	-176	0	114.9	T284	T284-K286 PolarHBondContact O-N 2.83Å
287	K	62.1	Low	78.1	Confident	145 Å²	145	54 Å²	54	63%	0.63	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-116.9	118.2	-179.4	-72.8	-171.7	177.5	-177.5	0	110.4	G283 T284	G283-K287 WeakPolarHBondContact CA-O 3.32Å; T284-K287 PolarHBondContact N-O 2.74Å; T284-K287 CarbonylContact O-C 3.36Å; T284-K287 PolarHBondContact O-N 3.05Å; T284-K287 PolarHBondContact OG1-N 3.36Å
288	S	69.1	Low	78.2	Confident	79 Å²	79	54.9 Å²	54.9	55%	0.552	29%	0.289	S	S	*	.			trans	-71.5	128.8	176.2	49.4	0	0	0	0	110.9
289	S	81.8	Confident	78.4	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.063	28%	0.284	C	S	.	.			trans	-97.2	173.5	168.3	74.2	0	0	0	0	110.6	H278 I291 T292 K293	H278-S289 PolarHBondContact ND1-OG 3.34Å; S289-I291 PolarHBondContact O-N 3.43Å; S289-I291 PolarHBondContact OG-N 3.36Å; S289-T292 PolarHBondContact N-OG1 2.86Å; S289-T292 WeakPolarHBondContact O-CB 3.11Å; S289-T292 PolarHBondContact O-N 2.57Å; S289-T292 VanDerWaalsContact O-N 3.12Å; S289-T292 PolarHBondContact OG-OG1 3Å; S289-K293 PolarHBondContact O-N 2.92Å
290	I	84.3	Confident	78.6	Confident	28 Å²	28	54.3 Å²	54.3	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-38.7	172.5	-174	62.2	0	0	0	111.3	L196 Y199 L281 T292 K293 V294	L196-I290 HydrophobicContact CD1-CG2 4.29Å; Y199-I290 HydrophobicContact CD1-CB 4.4Å; Y199-I290 HydrophobicContact CD1-CG2 3.84Å; Y199-I290 HydrophobicContact CD2-CB 4.03Å; Y199-I290 HydrophobicContact CD2-CD1 4.4Å; Y199-I290 HydrophobicContact CD2-CG1 4.12Å; Y199-I290 HydrophobicContact CD2-CG2 4.35Å; Y199-I290 HydrophobicContact CE1-CG2 4.01Å; Y199-I290 HydrophobicContact CE2-CB 4.28Å; Y199-I290 HydrophobicContact CE2-CG2 4.48Å; Y199-I290 HydrophobicContact CG-CB 4.08Å; Y199-I290 HydrophobicContact CG-CG1 3.96Å; Y199-I290 HydrophobicContact CG-CG2 4.01Å; L281-I290 HydrophobicContact CD1-CG2 3.75Å; I290-T292 VanDerWaalsContact C-N 3.3Å; I290-T292 PolarHBondContact O-N 3.38Å; I290-K293 PolarHBondContact O-N 3.16Å; I290-K293 VanDerWaalsContact O-N 3.15Å; I290-V294 HydrophobicContact CD1-CG2 3.82Å; I290-V294 HydrophobicContact CG1-CG2 4.05Å; I290-V294 WeakPolarHBondContact O-CB 3.37Å; I290-V294 WeakPolarHBondContact O-CG2 3.21Å; I290-V294 PolarHBondContact O-N 3.06Å
291	I	86.3	Confident	78.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-45.8	176.7	-54.8	-61.5	0	0	0	110.6	L196 L274 L277 H278 L281 S289 V294 F295 L335	L196-I291 HydrophobicContact CD1-CD1 3.51Å; L274-I291 HydrophobicContact CB-CG2 4.36Å; L274-I291 HydrophobicContact CD2-CD1 4.23Å; L274-I291 HydrophobicContact CD2-CG2 3.96Å; L277-I291 HydrophobicContact CB-CD1 4.2Å; L277-I291 HydrophobicContact CB-CG1 4.11Å; L277-I291 HydrophobicContact CD1-CD1 4.09Å; H278-I291 HydrophobicContact CB-CB 4.46Å; L281-I291 HydrophobicContact CD1-CG1 4.37Å; S289-I291 PolarHBondContact O-N 3.43Å; S289-I291 PolarHBondContact OG-N 3.36Å; I291-V294 PolarHBondContact O-N 3.38Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 PolarHBondContact O-N 2.85Å; I291-L335 HydrophobicContact CG2-CD2 4.26Å
292	T	85.4	Confident	79.2	Confident	15 Å²	15	55.8 Å²	55.8	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-42	177.6	-48.9	0	0	0	0	111.7	H278 S289 I290 V294 Q296	H278-T292 PolarHBondContact CE1-OG1 3.5Å; H278-T292 PolarHBondContact ND1-OG1 3.11Å; S289-T292 PolarHBondContact N-OG1 2.86Å; S289-T292 WeakPolarHBondContact O-CB 3.11Å; S289-T292 PolarHBondContact O-N 2.57Å; S289-T292 VanDerWaalsContact O-N 3.12Å; S289-T292 PolarHBondContact OG-OG1 3Å; I290-T292 VanDerWaalsContact C-N 3.3Å; I290-T292 PolarHBondContact O-N 3.38Å; T292-V294 VanDerWaalsContact C-N 3.31Å; T292-V294 PolarHBondContact O-N 3.32Å; T292-Q296 HydrophobicContact CG2-CB 3.84Å; T292-Q296 HydrophobicContact CG2-CG 4.21Å; T292-Q296 WeakPolarHBondContact O-CB 3.28Å; T292-Q296 PolarHBondContact O-N 3.42Å; T292-Q296 VanDerWaalsContact O-N 3.15Å
293	K	86.4	Confident	79.9	Confident	139 Å²	139	55.1 Å²	55.1	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-68.5	-31.2	179.3	-69.9	177.8	178.9	-179.7	0	113	S289 I290	S289-K293 PolarHBondContact O-N 2.92Å; I290-K293 PolarHBondContact O-N 3.16Å; I290-K293 VanDerWaalsContact O-N 3.15Å
294	V	90	Very high	81	Confident	5 Å²	5	58 Å²	58	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-88.6	-47	-174.3	174.6	0	0	0	0	112	V193 P195 I290 I291 T292 P394 Y395	V193-V294 HydrophobicContact CG1-CG1 3.79Å; P195-V294 HydrophobicContact CB-CG2 3.74Å; P195-V294 HydrophobicContact CG-CG2 4.46Å; I290-V294 HydrophobicContact CD1-CG2 3.82Å; I290-V294 HydrophobicContact CG1-CG2 4.05Å; I290-V294 WeakPolarHBondContact O-CB 3.37Å; I290-V294 WeakPolarHBondContact O-CG2 3.21Å; I290-V294 PolarHBondContact O-N 3.06Å; I291-V294 PolarHBondContact O-N 3.38Å; T292-V294 VanDerWaalsContact C-N 3.31Å; T292-V294 PolarHBondContact O-N 3.32Å; V294-P394 WeakPolarHBondContact O-CD 3.25Å; V294-Y395 HydrophobicContact CG1-CD2 3.77Å; V294-Y395 HydrophobicContact CG1-CG 4.06Å; V294-Y395 PolarHBondContact O-N 3.11Å
295	F	91.3	Very high	82.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-113.6	-12.6	-169.2	-58.7	-69.1	0	0	0	114.7	F190 V193 L196 L274 I291 G297 L335 P393 Y395 I397 I497	F190-F295 HydrophobicContact CD1-CE2 4.47Å; F190-F295 AromaticContact CD1-CZ 3.98Å; F190-F295 HydrophobicContact CD1-CZ 3.98Å; F190-F295 HydrophobicContact CE1-CE2 4.4Å; F190-F295 HydrophobicContact CE1-CZ 4.06Å; V193-F295 HydrophobicContact CB-CZ 4.34Å; V193-F295 HydrophobicContact CG1-CE1 4.27Å; V193-F295 HydrophobicContact CG1-CZ 3.88Å; V193-F295 HydrophobicContact CG2-CE1 4.28Å; V193-F295 HydrophobicContact CG2-CZ 4.05Å; L196-F295 HydrophobicContact CD2-CE2 4.06Å; L196-F295 HydrophobicContact CD2-CZ 4.27Å; L274-F295 HydrophobicContact CD2-CD2 4.16Å; L274-F295 HydrophobicContact CD2-CE2 4.16Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 PolarHBondContact O-N 2.85Å; F295-G297 PolarHBondContact O-N 3.29Å; F295-L335 HydrophobicContact CB-CD2 4.42Å; F295-P393 VanDerWaalsContact C-CB 3.5Å; F295-P393 WeakPolarHBondContact O-CB 3.36Å; F295-Y395 WeakPolarHBondContact CD1-O 3.16Å; F295-I397 HydrophobicContact CD1-CD1 3.54Å; F295-I397 HydrophobicContact CD1-CG1 3.7Å; F295-I397 HydrophobicContact CE1-CD1 3.74Å; F295-I397 HydrophobicContact CE1-CG1 3.95Å; F295-I397 HydrophobicContact CG-CD1 4.06Å; F295-I397 HydrophobicContact CZ-CD1 4.4Å; F295-I497 HydrophobicContact CE1-CG2 4.42Å
296	Q	89.9	Confident	83.5	Confident	59 Å²	59	47.1 Å²	47.1	28%	0.276	23%	0.227	S	C	.	.			trans	-78.5	116.9	-176	-166.4	-174.7	50.2	0	0	111.7	T292 T333 F334 L335	T292-Q296 HydrophobicContact CG2-CB 3.84Å; T292-Q296 HydrophobicContact CG2-CG 4.21Å; T292-Q296 WeakPolarHBondContact O-CB 3.28Å; T292-Q296 PolarHBondContact O-N 3.42Å; T292-Q296 VanDerWaalsContact O-N 3.15Å; Q296-T333 HydrophobicContact CG-CG2 4.31Å; Q296-T333 VanDerWaalsContact NE2-CB 3.3Å; Q296-T333 PolarHBondContact NE2-OG1 2.75Å; Q296-F334 VanDerWaalsContact CA-O 3.32Å; Q296-F334 WeakPolarHBondContact CA-O 3.12Å; Q296-L335 HydrophobicContact CB-CD2 4.22Å
297	G	89.1	Confident	84.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	174.2	162.9	0	0	0	0	0	112	F295 T333 F334 K391	F295-G297 PolarHBondContact O-N 3.29Å; G297-T333 CarbonylContact O-C 3.6Å; G297-T333 VanDerWaalsContact O-CA 3.26Å; G297-T333 WeakPolarHBondContact O-CA 3.39Å; G297-F334 VanDerWaalsContact C-CE1 3.5Å; G297-F334 PolarHBondContact N-O 3.28Å; G297-F334 PolarHBondContact O-N 3.48Å; G297-K391 CarbonylContact C-O 3.58Å; G297-K391 WeakPolarHBondContact CA-O 3.23Å
298	S	89.5	Confident	85.7	Confident	20 Å²	20	35.7 Å²	35.7	14%	0.14	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.5	173.8	-59.6	0	0	0	0	110.1	F334 T390 K391	S298-F334 WeakPolarHBondContact O-CE1 3.39Å; S298-T390 WeakPolarHBondContact CB-OG1 3.06Å; S298-T390 PolarHBondContact O-N 2.72Å; S298-T390 PolarHBondContact O-OG1 2.86Å; S298-T390 VanDerWaalsContact O-OG1 3.09Å; S298-K391 PolarHBondContact N-O 3.23Å; S298-K391 PolarHBondContact O-N 2.7Å
299	M	90	Very high	86	Confident	15 Å²	15	35.4 Å²	35.4	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.1	174.6	68.6	171.6	73.8	0	0	110.8	I301 S332 F334 L337 F368 F387 Q388 L389	M299-I301 HydrophobicContact CG-CG1 4.11Å; M299-I301 HydrophobicContact SD-CD1 4.26Å; M299-I301 HydrophobicContact SD-CG1 4.06Å; M299-S332 PolarHBondContact N-O 3.35Å; M299-S332 PolarHBondContact O-N 2.79Å; M299-S332 VanDerWaalsContact O-O 3.07Å; M299-F334 HydrophobicContact CB-CD1 4.02Å; M299-F334 HydrophobicContact CB-CE1 4.05Å; M299-F334 HydrophobicContact CE-CB 3.78Å; M299-F334 HydrophobicContact CE-CD1 3.25Å; M299-F334 HydrophobicContact CE-CD2 4.48Å; M299-F334 HydrophobicContact CE-CE1 3.89Å; M299-F334 HydrophobicContact CE-CG 3.59Å; M299-F334 HydrophobicContact CG-CD1 3.98Å; M299-F334 HydrophobicContact SD-CD1 4.46Å; M299-L337 HydrophobicContact CE-CD2 3.2Å; M299-F368 HydrophobicContact CE-CE1 4.36Å; M299-F387 HydrophobicContact SD-CD1 3.79Å; M299-Q388 CarbonylContact C-O 3.58Å; M299-Q388 WeakPolarHBondContact CA-O 3.23Å; M299-Q388 WeakPolarHBondContact CB-O 3.44Å; M299-L389 HydrophobicContact CB-CD2 4.2Å
300	R	89.9	Confident	86	Confident	56 Å²	56	41.5 Å²	41.5	21%	0.211	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.9	165.5	-75.9	170.2	-169.1	165.7	8.5	108.3	F302 M329 Q388 T390 E433	R300-F302 HydrophobicContact CB-CE2 3.89Å; R300-F302 HydrophobicContact CB-CZ 4.37Å; R300-M329 HydrophobicContact CG-SD 4.43Å; R300-Q388 PolarHBondContact N-O 2.93Å; R300-Q388 PolarHBondContact O-N 2.78Å; R300-T390 HydrophobicContact CB-CG2 4.24Å; R300-T390 HydrophobicContact CG-CG2 3.54Å; R300-E433 IonicContact CZ-OE2 2.57Å; R300-E433 IonicContact NH1-OE2 3.34Å; R300-E433 PolarHBondContact NH1-OE2 2.86Å; R300-E433 IonicContact NH2-OE2 3.64Å; R300-E433 PolarHBondContact NH2-OE2 3.04Å
301	I	89.2	Confident	85.9	Confident	29 Å²	29	42.8 Å²	42.8	15%	0.149	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.5	172.7	-51.3	-179.8	0	0	0	106.2	M299 S330 S332 K385 F387	M299-I301 HydrophobicContact CG-CG1 4.11Å; M299-I301 HydrophobicContact SD-CD1 4.26Å; M299-I301 HydrophobicContact SD-CG1 4.06Å; I301-S330 PolarHBondContact N-O 3.06Å; I301-S330 PolarHBondContact O-N 3.31Å; I301-S330 PolarHBondContact O-OG 3.28Å; I301-S332 WeakPolarHBondContact CD1-OG 3.35Å; I301-K385 HydrophobicContact CG2-CD 4.3Å; I301-F387 HydrophobicContact CB-CD1 4.4Å; I301-F387 HydrophobicContact CB-CE1 4.47Å; I301-F387 HydrophobicContact CD1-CD1 4.23Å; I301-F387 HydrophobicContact CD1-CE1 3.96Å; I301-F387 HydrophobicContact CG1-CD1 3.81Å; I301-F387 HydrophobicContact CG1-CE1 3.98Å; I301-F387 HydrophobicContact CG2-CD1 4.09Å; I301-F387 HydrophobicContact CG2-CE1 3.8Å; I301-F387 HydrophobicContact CG2-CZ 4.45Å
302	F	88.3	Confident	85.8	Confident	22 Å²	22	48 Å²	48	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.6	169.5	-46.6	-113.8	0	0	0	108.4	R300 E327 Q328 M329 K385 R386 Q388	R300-F302 HydrophobicContact CB-CE2 3.89Å; R300-F302 HydrophobicContact CB-CZ 4.37Å; F302-E327 HydrophobicContact CB-CG 3.69Å; F302-E327 WeakPolarHBondContact CB-OE1 3.42Å; F302-E327 HydrophobicContact CD1-CG 4.2Å; F302-E327 HydrophobicContact CG-CG 4.47Å; F302-Q328 CarbonylContact C-O 3.58Å; F302-Q328 WeakPolarHBondContact CA-O 3.15Å; F302-M329 HydrophobicContact CD1-CB 4Å; F302-M329 HydrophobicContact CD1-CE 4.22Å; F302-M329 HydrophobicContact CD1-CG 3.94Å; F302-M329 HydrophobicContact CE1-CB 4.2Å; F302-M329 HydrophobicContact CE1-CE 3.31Å; F302-M329 HydrophobicContact CE1-CG 3.79Å; F302-M329 HydrophobicContact CE1-SD 4.24Å; F302-M329 HydrophobicContact CZ-CE 3.83Å; F302-M329 HydrophobicContact CZ-CG 4.24Å; F302-K385 CarbonylContact O-C 3.04Å; F302-K385 VanDerWaalsContact O-CA 3.25Å; F302-K385 WeakPolarHBondContact O-CA 3.49Å; F302-R386 HydrophobicContact CB-CG 3.48Å; F302-R386 VanDerWaalsContact CB-CG 3.48Å; F302-R386 HydrophobicContact CD2-CG 3.77Å; F302-R386 VanDerWaalsContact CE1-NH2 3.34Å; F302-R386 HydrophobicContact CG-CG 3.89Å; F302-R386 PolarHBondContact N-O 2.89Å; F302-R386 PolarHBondContact O-N 3.32Å; F302-Q388 HydrophobicContact CE2-CB 4.22Å
303	S	86.3	Confident	85.6	Confident	21 Å²	21	51.6 Å²	51.6	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.5	-176.5	-171.2	0	0	0	0	108.6	Q328 K385	S303-Q328 PolarHBondContact N-O 3.24Å; S303-Q328 PolarHBondContact O-N 3.02Å; S303-K385 WeakPolarHBondContact OG-CE 3.47Å
304	K	86.1	Confident	85.2	Confident	70 Å²	70	52.7 Å²	52.7	30%	0.304	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.5	175.1	-177.5	178	-178.8	178.1	0	108.6	F383 L384	K304-F383 CarbonylContact O-C 3.54Å; K304-F383 WeakPolarHBondContact O-CA 3.42Å; K304-L384 HydrophobicContact CB-CB 4.37Å; K304-L384 PolarHBondContact N-O 2.82Å; K304-L384 PolarHBondContact O-N 3.34Å
305	K	84.6	Confident	84.8	Confident	25 Å²	25	56.9 Å²	56.9	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.8	174.3	-167.8	173	-179.6	170	0	108.7	E324 Y325 E381 F383	K305-E324 HydrophobicContact CD-CG 4.27Å; K305-E324 IonicContact NZ-OE1 2.82Å; K305-E324 PolarHBondContact NZ-OE1 2.96Å; K305-Y325 HydrophobicContact CB-CD1 4.08Å; K305-Y325 HydrophobicContact CB-CE1 4.43Å; K305-Y325 HydrophobicContact CD-CE1 4.21Å; K305-Y325 HydrophobicContact CG-CD1 4.14Å; K305-Y325 HydrophobicContact CG-CE1 3.98Å; K305-Y325 WeakPolarHBondContact O-CD1 3.44Å; K305-E381 VanDerWaalsContact CE-CD 3.42Å; K305-E381 VanDerWaalsContact CE-OE1 3.29Å; K305-E381 WeakPolarHBondContact CE-OE1 3.43Å; K305-E381 VanDerWaalsContact NZ-CD 3.28Å; K305-E381 IonicContact NZ-OE1 2.65Å; K305-E381 PolarHBondContact NZ-OE1 2.94Å; K305-E381 IonicContact NZ-OE2 3.7Å; K305-F383 HydrophobicContact CB-CD1 4.1Å; K305-F383 HydrophobicContact CB-CE1 4Å; K305-F383 HydrophobicContact CD-CE1 4.29Å; K305-F383 HydrophobicContact CG-CD1 4.29Å; K305-F383 HydrophobicContact CG-CE1 3.94Å
306	L	82.3	Confident	84.2	Confident	48 Å²	48	59.9 Å²	59.9	25%	0.251	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.7	174.8	-79.4	178.7	0	0	0	110	N382 L384	L306-N382 HydrophobicContact CB-CB 3.91Å; L306-N382 WeakPolarHBondContact CB-O 3.46Å; L306-N382 HydrophobicContact CD1-CB 4.25Å; L306-N382 PolarHBondContact N-O 2.75Å; L306-L384 HydrophobicContact CD1-CD1 3.84Å; L306-L384 HydrophobicContact CD1-CD2 4.3Å; L306-L384 HydrophobicContact CD1-CG 3.66Å; L306-L384 HydrophobicContact CD2-CD1 3.57Å; L306-L384 HydrophobicContact CD2-CG 4.21Å; L306-L384 HydrophobicContact CG-CD1 3.81Å; L306-L384 HydrophobicContact CG-CG 3.87Å
307	P	80.2	Confident	83.6	Confident	16 Å²	16	63.4 Å²	63.4	10%	0.104	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56.3	153.7	168.7	-23.9	34.1	0	0	0	111.7	L311 K316 L319 L320 Y325	P307-L311 HydrophobicContact CB-CD1 4.48Å; P307-K316 HydrophobicContact CB-CB 4.5Å; P307-K316 HydrophobicContact CB-CG 4.11Å; P307-L319 HydrophobicContact CB-CD1 4.35Å; P307-L319 HydrophobicContact CG-CB 4.31Å; P307-L320 HydrophobicContact CG-CD2 4Å; P307-L320 HydrophobicContact CG-CG 4.06Å; P307-Y325 HydrophobicContact CB-CE1 4.16Å; P307-Y325 HydrophobicContact CG-CD1 3.77Å; P307-Y325 HydrophobicContact CG-CE1 3.9Å; P307-Y325 HydrophobicContact CG-CG 4.48Å
308	H	78.9	Confident	83.1	Confident	94 Å²	94	66.2 Å²	66.2	44%	0.435	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-59.6	133.5	179	-164.3	-87.2	0	0	0	110.5	D310 L311 K316	H308-D310 IonicContact CE1-OD2 3.78Å; H308-D310 PolarHBondContact CE1-OD2 3.42Å; H308-D310 PolarHBondContact ND1-N 2.9Å; H308-D310 IonicContact ND1-OD2 2.81Å; H308-D310 PolarHBondContact O-N 3.22Å; H308-D310 VanDerWaalsContact O-N 3.13Å; H308-L311 HydrophobicContact CB-CD1 3.8Å; H308-L311 HydrophobicContact CB-CG 4.06Å; H308-L311 PolarHBondContact O-N 3.39Å; H308-K316 VanDerWaalsContact O-CE 3.29Å; H308-K316 WeakPolarHBondContact O-CE 3.3Å
309	P	76.9	Confident	82.6	Confident	73 Å²	73	67.8 Å²	67.8	47%	0.474	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.1	-173.7	23.1	-33.7	0	0	0	113.3	K316	P309-K316 WeakPolarHBondContact O-CE 3.19Å; P309-K316 PolarHBondContact O-NZ 2.96Å
310	D	80.9	Confident	82	Confident	137 Å²	137	70.4 Å²	70.4	73%	0.733	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.2	-176.6	-56.7	-21.2	0	0	0	114.6	H308	H308-D310 IonicContact CE1-OD2 3.78Å; H308-D310 PolarHBondContact CE1-OD2 3.42Å; H308-D310 PolarHBondContact ND1-N 2.9Å; H308-D310 IonicContact ND1-OD2 2.81Å; H308-D310 PolarHBondContact O-N 3.22Å; H308-D310 VanDerWaalsContact O-N 3.13Å
311	L	82.3	Confident	81.3	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	39%	0.39	S	S	.	.	S	Bend	trans	-74.5	154.1	178.2	-69.5	164.7	0	0	0	112.3	P307 H308 E315 K316 L319	P307-L311 HydrophobicContact CB-CD1 4.48Å; H308-L311 HydrophobicContact CB-CD1 3.8Å; H308-L311 HydrophobicContact CB-CG 4.06Å; H308-L311 PolarHBondContact O-N 3.39Å; L311-E315 WeakPolarHBondContact CD2-OE2 3.23Å; L311-K316 HydrophobicContact CB-CG 3.91Å; L311-K316 WeakPolarHBondContact O-CE 3.44Å; L311-K316 PolarHBondContact O-NZ 2.83Å; L311-L319 HydrophobicContact CD1-CD1 3.56Å
312	L	85.4	Confident	81	Confident	110 Å²	110	76.1 Å²	76.1	58%	0.576	40%	0.402	S	S	*	.			trans	-63.2	149.4	175	-77.2	148.9	0	0	0	110.8	E314 E315 K316	L312-E314 VanDerWaalsContact C-N 3.33Å; L312-E314 PolarHBondContact O-N 3.41Å; L312-E315 HydrophobicContact CB-CB 4.44Å; L312-E315 HydrophobicContact CB-CG 4.16Å; L312-E315 PolarHBondContact N-OE2 2.92Å; L312-E315 PolarHBondContact O-N 2.87Å; L312-K316 WeakPolarHBondContact O-CG 3.07Å; L312-K316 PolarHBondContact O-N 2.88Å
313	P	79.8	Confident	80.4	Confident	89 Å²	89	82.8 Å²	82.8	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-55.4	-42.2	-179.3	-26.3	34.8	0	0	0	114.1	E315 K316 E317	P313-E315 PolarHBondContact O-N 2.97Å; P313-K316 WeakPolarHBondContact O-CB 3.29Å; P313-K316 PolarHBondContact O-N 3.48Å; P313-E317 WeakPolarHBondContact O-CG 3.44Å; P313-E317 PolarHBondContact O-N 2.89Å
314	E	79.2	Confident	80	Confident	162 Å²	162	86.5 Å²	86.5	76%	0.757	45%	0.449	S	S	*	.	H	α-helix	trans	-64.1	-40.7	177.9	-71.2	177.7	157.1	0	0	112.2	L312 K316 E317 A318	L312-E314 VanDerWaalsContact C-N 3.33Å; L312-E314 PolarHBondContact O-N 3.41Å; E314-K316 VanDerWaalsContact C-N 3.33Å; E314-E317 PolarHBondContact O-N 3.07Å; E314-A318 WeakPolarHBondContact O-CB 3.4Å; E314-A318 PolarHBondContact O-N 3.34Å
315	E	80.2	Confident	79.6	Confident	94 Å²	94	84.6 Å²	84.6	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-67.5	-35.8	176.3	-64.2	178.8	155.9	0	0	111.3	L311 L312 P313 A318 L319	L311-E315 WeakPolarHBondContact CD2-OE2 3.23Å; L312-E315 HydrophobicContact CB-CB 4.44Å; L312-E315 HydrophobicContact CB-CG 4.16Å; L312-E315 PolarHBondContact N-OE2 2.92Å; L312-E315 PolarHBondContact O-N 2.87Å; P313-E315 PolarHBondContact O-N 2.97Å; E315-A318 PolarHBondContact O-N 3.07Å; E315-L319 WeakPolarHBondContact O-CB 3.4Å; E315-L319 WeakPolarHBondContact O-CG 3.33Å; E315-L319 PolarHBondContact O-N 3.26Å
316	K	78.5	Confident	79.5	Confident	63 Å²	63	88.4 Å²	88.4	27%	0.274	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-45.5	174.9	-73.4	172.7	172.7	151.9	0	111.6	P307 H308 P309 L311 L312 P313 E314 L319 L320	P307-K316 HydrophobicContact CB-CB 4.5Å; P307-K316 HydrophobicContact CB-CG 4.11Å; H308-K316 VanDerWaalsContact O-CE 3.29Å; H308-K316 WeakPolarHBondContact O-CE 3.3Å; P309-K316 WeakPolarHBondContact O-CE 3.19Å; P309-K316 PolarHBondContact O-NZ 2.96Å; L311-K316 HydrophobicContact CB-CG 3.91Å; L311-K316 WeakPolarHBondContact O-CE 3.44Å; L311-K316 PolarHBondContact O-NZ 2.83Å; L312-K316 WeakPolarHBondContact O-CG 3.07Å; L312-K316 PolarHBondContact O-N 2.88Å; P313-K316 WeakPolarHBondContact O-CB 3.29Å; P313-K316 PolarHBondContact O-N 3.48Å; E314-K316 VanDerWaalsContact C-N 3.33Å; K316-L319 PolarHBondContact O-N 3.06Å; K316-L320 VanDerWaalsContact O-CG 3.28Å; K316-L320 WeakPolarHBondContact O-CG 3.33Å; K316-L320 PolarHBondContact O-N 3.24Å
317	E	77.7	Confident	79.4	Confident	133 Å²	133	90 Å²	90	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-64.5	-41.6	177.8	-72.1	-179.9	-179.3	0	0	111.6	P313 E314 L319 L320 L321	P313-E317 WeakPolarHBondContact O-CG 3.44Å; P313-E317 PolarHBondContact O-N 2.89Å; E314-E317 PolarHBondContact O-N 3.07Å; E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.31Å; E317-L320 PolarHBondContact O-N 3.1Å; E317-L321 PolarHBondContact O-N 3.32Å
318	A	80.1	Confident	79.7	Confident	59 Å²	59	95 Å²	95	49%	0.488	49%	0.486	S	S	.	.	H	α-helix	trans	-61.2	-40.9	174	0	0	0	0	0	112.5	E314 E315 L321 T322	E314-A318 WeakPolarHBondContact O-CB 3.4Å; E314-A318 PolarHBondContact O-N 3.34Å; E315-A318 PolarHBondContact O-N 3.07Å; A318-L321 PolarHBondContact O-N 3.1Å; A318-T322 PolarHBondContact O-OG1 3.35Å
319	L	78.7	Confident	80.1	Confident	52 Å²	52	96.1 Å²	96.1	27%	0.272	49%	0.493	S	S	.	.	H	α-helix	trans	-69.2	-36.9	177.3	-72.7	172.9	0	0	0	112.5	P307 L311 E315 K316 E317 L321 T322 Y325	P307-L319 HydrophobicContact CB-CD1 4.35Å; P307-L319 HydrophobicContact CG-CB 4.31Å; L311-L319 HydrophobicContact CD1-CD1 3.56Å; E315-L319 WeakPolarHBondContact O-CB 3.4Å; E315-L319 WeakPolarHBondContact O-CG 3.33Å; E315-L319 PolarHBondContact O-N 3.26Å; K316-L319 PolarHBondContact O-N 3.06Å; E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.31Å; L319-L321 PolarHBondContact O-N 3.17Å; L319-T322 VanDerWaalsContact O-CB 3.23Å; L319-T322 WeakPolarHBondContact O-CB 3.43Å; L319-T322 PolarHBondContact O-N 3.17Å; L319-T322 PolarHBondContact O-OG1 3.33Å; L319-Y325 HydrophobicContact CB-CD2 4.02Å; L319-Y325 HydrophobicContact CB-CE2 3.89Å; L319-Y325 HydrophobicContact CD2-CE2 3.87Å; L319-Y325 HydrophobicContact CG-CE2 4.32Å; L319-Y325 WeakPolarHBondContact O-CB 3.29Å; L319-Y325 WeakPolarHBondContact O-CD2 3.35Å
320	L	77.4	Confident	80.6	Confident	71 Å²	71	95.4 Å²	95.4	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-25	177	-74.2	170.7	0	0	0	113.5	P307 K316 E317 T322	P307-L320 HydrophobicContact CG-CD2 4Å; P307-L320 HydrophobicContact CG-CG 4.06Å; K316-L320 VanDerWaalsContact O-CG 3.28Å; K316-L320 WeakPolarHBondContact O-CG 3.33Å; K316-L320 PolarHBondContact O-N 3.24Å; E317-L320 PolarHBondContact O-N 3.1Å; L320-T322 VanDerWaalsContact C-N 3.28Å
321	L	75.6	Confident	80.9	Confident	140 Å²	140	95 Å²	95	73%	0.733	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.9	174.2	-73.3	153.3	0	0	0	113	E317 A318 L319	E317-L321 PolarHBondContact O-N 3.32Å; A318-L321 PolarHBondContact O-N 3.1Å; L319-L321 PolarHBondContact O-N 3.17Å
322	T	82.2	Confident	81.2	Confident	65 Å²	65	94.2 Å²	94.2	40%	0.399	48%	0.483	S	S	.	.	S	Bend	trans	-78.4	141.1	-179.4	-50.5	0	0	0	0	110.3	A318 L319 L320 E324 Y325 Q326	A318-T322 PolarHBondContact O-OG1 3.35Å; L319-T322 VanDerWaalsContact O-CB 3.23Å; L319-T322 WeakPolarHBondContact O-CB 3.43Å; L319-T322 PolarHBondContact O-N 3.17Å; L319-T322 PolarHBondContact O-OG1 3.33Å; L320-T322 VanDerWaalsContact C-N 3.28Å; T322-E324 HydrophobicContact CG2-CB 4.35Å; T322-E324 PolarHBondContact O-N 2.84Å; T322-Y325 PolarHBondContact O-N 2.8Å; T322-Q326 PolarHBondContact O-N 2.94Å
323	E	75.8	Confident	81.4	Confident	161 Å²	161	92.9 Å²	92.9	75%	0.752	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.1	179.8	-67.4	-175.4	168.4	0	0	113.8	Y325 Q326	E323-Y325 VanDerWaalsContact C-N 3.34Å; E323-Y325 PolarHBondContact O-N 3.15Å; E323-Q326 PolarHBondContact O-N 3.12Å
324	E	77	Confident	82	Confident	99 Å²	99	89.4 Å²	89.4	46%	0.463	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.5	177.5	-163.9	-175.2	166.6	0	0	113.6	K305 T322	K305-E324 HydrophobicContact CD-CG 4.27Å; K305-E324 IonicContact NZ-OE1 2.82Å; K305-E324 PolarHBondContact NZ-OE1 2.96Å; T322-E324 HydrophobicContact CG2-CB 4.35Å; T322-E324 PolarHBondContact O-N 2.84Å
325	Y	78.9	Confident	82.5	Confident	30 Å²	30	83.1 Å²	83.1	12%	0.118	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1	179	-65	-88.7	0	0	0	112.5	K305 P307 L319 T322 E323	K305-Y325 HydrophobicContact CB-CD1 4.08Å; K305-Y325 HydrophobicContact CB-CE1 4.43Å; K305-Y325 HydrophobicContact CD-CE1 4.21Å; K305-Y325 HydrophobicContact CG-CD1 4.14Å; K305-Y325 HydrophobicContact CG-CE1 3.98Å; K305-Y325 WeakPolarHBondContact O-CD1 3.44Å; P307-Y325 HydrophobicContact CB-CE1 4.16Å; P307-Y325 HydrophobicContact CG-CD1 3.77Å; P307-Y325 HydrophobicContact CG-CE1 3.9Å; P307-Y325 HydrophobicContact CG-CG 4.48Å; L319-Y325 HydrophobicContact CB-CD2 4.02Å; L319-Y325 HydrophobicContact CB-CE2 3.89Å; L319-Y325 HydrophobicContact CD2-CE2 3.87Å; L319-Y325 HydrophobicContact CG-CE2 4.32Å; L319-Y325 WeakPolarHBondContact O-CB 3.29Å; L319-Y325 WeakPolarHBondContact O-CD2 3.35Å; T322-Y325 PolarHBondContact O-N 2.8Å; E323-Y325 VanDerWaalsContact C-N 3.34Å; E323-Y325 PolarHBondContact O-N 3.15Å
326	Q	80.9	Confident	83.1	Confident	106 Å²	106	80.7 Å²	80.7	50%	0.495	42%	0.415	S	S	.	.	S	Bend	trans	-74	164.8	167.5	-67.4	-170.9	0.2	0	0	111	T322 E323 Q328	T322-Q326 PolarHBondContact O-N 2.94Å; E323-Q326 PolarHBondContact O-N 3.12Å; Q326-Q328 PolarHBondContact O-N 3.23Å
327	E	81.2	Confident	83.8	Confident	82 Å²	82	77.8 Å²	77.8	38%	0.383	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.1	-176.2	-174.8	168.8	-134.5	0	0	111.7	F302 R386	F302-E327 HydrophobicContact CB-CG 3.69Å; F302-E327 WeakPolarHBondContact CB-OE1 3.42Å; F302-E327 HydrophobicContact CD1-CG 4.2Å; F302-E327 HydrophobicContact CG-CG 4.47Å; E327-R386 VanDerWaalsContact CD-NH2 3.26Å; E327-R386 IonicContact OE1-CZ 3.41Å; E327-R386 VanDerWaalsContact OE1-CZ 3.3Å; E327-R386 IonicContact OE1-NE 3.44Å; E327-R386 PolarHBondContact OE1-NE 3.19Å; E327-R386 IonicContact OE1-NH2 3.69Å; E327-R386 PolarHBondContact OE1-NH2 3.01Å; E327-R386 IonicContact OE2-CZ 2.8Å; E327-R386 IonicContact OE2-NE 2.74Å; E327-R386 IonicContact OE2-NH2 3.06Å; E327-R386 PolarHBondContact OE2-NH2 3.47Å
328	Q	85.5	Confident	84.5	Confident	121 Å²	121	73.8 Å²	73.8	57%	0.565	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.4	175.8	-64	-174.5	-4.1	0	0	110.2	F302 S303 Q326	F302-Q328 CarbonylContact C-O 3.58Å; F302-Q328 WeakPolarHBondContact CA-O 3.15Å; S303-Q328 PolarHBondContact N-O 3.24Å; S303-Q328 PolarHBondContact O-N 3.02Å; Q326-Q328 PolarHBondContact O-N 3.23Å
329	M	87.7	Confident	85	Confident	116 Å²	116	71 Å²	71	57%	0.571	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.7	173.8	-169.8	-163.3	-66.6	0	0	110.1	R300 F302	R300-M329 HydrophobicContact CG-SD 4.43Å; F302-M329 HydrophobicContact CD1-CB 4Å; F302-M329 HydrophobicContact CD1-CE 4.22Å; F302-M329 HydrophobicContact CD1-CG 3.94Å; F302-M329 HydrophobicContact CE1-CB 4.2Å; F302-M329 HydrophobicContact CE1-CE 3.31Å; F302-M329 HydrophobicContact CE1-CG 3.79Å; F302-M329 HydrophobicContact CE1-SD 4.24Å; F302-M329 HydrophobicContact CZ-CE 3.83Å; F302-M329 HydrophobicContact CZ-CG 4.24Å
330	S	88	Confident	85.4	Confident	59 Å²	59	70.5 Å²	70.5	41%	0.413	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.2	172.3	61.2	0	0	0	0	110.2	I301	I301-S330 PolarHBondContact N-O 3.06Å; I301-S330 PolarHBondContact O-N 3.31Å; I301-S330 PolarHBondContact O-OG 3.28Å
331	E	87.8	Confident	85.9	Confident	127 Å²	127	68.1 Å²	68.1	59%	0.593	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	130.9	173.5	-170.4	167.1	-156.9	0	0	110	T390	E331-T390 PolarHBondContact OE1-OG1 2.89Å
332	S	88.1	Confident	86.3	Confident	39 Å²	39	64.4 Å²	64.4	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.2	-180	66.9	0	0	0	0	111	M299 I301	M299-S332 PolarHBondContact N-O 3.35Å; M299-S332 PolarHBondContact O-N 2.79Å; M299-S332 VanDerWaalsContact O-O 3.07Å; I301-S332 WeakPolarHBondContact CD1-OG 3.35Å
333	T	90.3	Very high	86.1	Confident	83 Å²	83	67.3 Å²	67.3	51%	0.509	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.5	175.9	63.3	0	0	0	0	110.6	Q296 G297	Q296-T333 HydrophobicContact CG-CG2 4.31Å; Q296-T333 VanDerWaalsContact NE2-CB 3.3Å; Q296-T333 PolarHBondContact NE2-OG1 2.75Å; G297-T333 CarbonylContact O-C 3.6Å; G297-T333 VanDerWaalsContact O-CA 3.26Å; G297-T333 WeakPolarHBondContact O-CA 3.39Å
334	F	90.9	Very high	86	Confident	16 Å²	16	61.5 Å²	61.5	7%	0.07	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.6	177.2	64.5	-92.4	0	0	0	111.2	Q296 G297 S298 M299 L337 L389 P393 L396	Q296-F334 VanDerWaalsContact CA-O 3.32Å; Q296-F334 WeakPolarHBondContact CA-O 3.12Å; G297-F334 VanDerWaalsContact C-CE1 3.5Å; G297-F334 PolarHBondContact N-O 3.28Å; G297-F334 PolarHBondContact O-N 3.48Å; S298-F334 WeakPolarHBondContact O-CE1 3.39Å; M299-F334 HydrophobicContact CB-CD1 4.02Å; M299-F334 HydrophobicContact CB-CE1 4.05Å; M299-F334 HydrophobicContact CE-CB 3.78Å; M299-F334 HydrophobicContact CE-CD1 3.25Å; M299-F334 HydrophobicContact CE-CD2 4.48Å; M299-F334 HydrophobicContact CE-CE1 3.89Å; M299-F334 HydrophobicContact CE-CG 3.59Å; M299-F334 HydrophobicContact CG-CD1 3.98Å; M299-F334 HydrophobicContact SD-CD1 4.46Å; F334-L337 HydrophobicContact CB-CD2 4.47Å; F334-L337 HydrophobicContact CD1-CD2 3.99Å; F334-L337 HydrophobicContact CD2-CD2 3.46Å; F334-L337 VanDerWaalsContact CD2-CD2 3.46Å; F334-L337 HydrophobicContact CD2-CG 3.94Å; F334-L337 HydrophobicContact CE1-CD2 3.99Å; F334-L337 HydrophobicContact CE2-CD1 4.28Å; F334-L337 HydrophobicContact CE2-CD2 3.51Å; F334-L337 HydrophobicContact CE2-CG 3.7Å; F334-L337 HydrophobicContact CG-CD2 3.71Å; F334-L337 HydrophobicContact CZ-CD1 4.38Å; F334-L337 HydrophobicContact CZ-CD2 3.77Å; F334-L337 HydrophobicContact CZ-CG 4.19Å; F334-L389 HydrophobicContact CE1-CD2 3.91Å; F334-L389 HydrophobicContact CZ-CD2 4.04Å; F334-P393 HydrophobicContact CE2-CG 4.47Å; F334-L396 HydrophobicContact CE2-CD1 3.74Å; F334-L396 HydrophobicContact CZ-CD1 4.41Å
335	L	90.1	Very high	85.7	Confident	29 Å²	29	61.1 Å²	61.1	15%	0.152	34%	0.337	C	S	.	.	S	Bend	trans	-99.2	-22.9	170.7	-65.8	175.4	0	0	0	112.1	L274 I291 F295 Q296	L274-L335 HydrophobicContact CB-CD1 4.14Å; L274-L335 HydrophobicContact CD1-CB 4.45Å; I291-L335 HydrophobicContact CG2-CD2 4.26Å; F295-L335 HydrophobicContact CB-CD2 4.42Å; Q296-L335 HydrophobicContact CB-CD2 4.22Å
336	F	93.1	Very high	85.1	Confident	44 Å²	44	67.6 Å²	67.6	19%	0.193	37%	0.372	C	S	.	.	S	Bend	trans	-151.5	155.5	178	56.9	-93.4	0	0	0	108.9	M270 T271 I397 C399	M270-F336 HydrophobicContact CE-CB 4.23Å; M270-F336 HydrophobicContact CE-CD1 3.84Å; M270-F336 HydrophobicContact CE-CE1 4.34Å; M270-F336 HydrophobicContact CE-CG 3.99Å; T271-F336 HydrophobicContact CG2-CE1 3.9Å; T271-F336 HydrophobicContact CG2-CZ 3.98Å; T271-F336 VanDerWaalsContact OG1-CE1 3.28Å; T271-F336 WeakPolarHBondContact OG1-CE1 3.46Å; T271-F336 WeakPolarHBondContact OG1-CZ 3.43Å; F336-I397 CarbonylContact C-O 3.55Å; F336-I397 VanDerWaalsContact CA-O 3.31Å; F336-I397 WeakPolarHBondContact CA-O 3.43Å; F336-I397 HydrophobicContact CB-CB 3.7Å; F336-I397 HydrophobicContact CB-CG2 3.79Å; F336-C399 HydrophobicContact CD2-CB 4.17Å
337	L	92.5	Very high	84.3	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.5	173.8	-62.2	-175.8	0	0	0	109.8	M299 F334 F368 L389 L396 I397 F398 C399	M299-L337 HydrophobicContact CE-CD2 3.2Å; F334-L337 HydrophobicContact CB-CD2 4.47Å; F334-L337 HydrophobicContact CD1-CD2 3.99Å; F334-L337 HydrophobicContact CD2-CD2 3.46Å; F334-L337 VanDerWaalsContact CD2-CD2 3.46Å; F334-L337 HydrophobicContact CD2-CG 3.94Å; F334-L337 HydrophobicContact CE1-CD2 3.99Å; F334-L337 HydrophobicContact CE2-CD1 4.28Å; F334-L337 HydrophobicContact CE2-CD2 3.51Å; F334-L337 HydrophobicContact CE2-CG 3.7Å; F334-L337 HydrophobicContact CG-CD2 3.71Å; F334-L337 HydrophobicContact CZ-CD1 4.38Å; F334-L337 HydrophobicContact CZ-CD2 3.77Å; F334-L337 HydrophobicContact CZ-CG 4.19Å; L337-F368 HydrophobicContact CB-CE2 4Å; L337-F368 HydrophobicContact CB-CZ 3.79Å; L337-F368 HydrophobicContact CD1-CD2 4.16Å; L337-F368 HydrophobicContact CD1-CE2 3.98Å; L337-F368 HydrophobicContact CD1-CZ 4.2Å; L337-F368 HydrophobicContact CD2-CE1 3.98Å; L337-F368 HydrophobicContact CD2-CZ 4.05Å; L337-F368 HydrophobicContact CG-CE2 4.44Å; L337-F368 HydrophobicContact CG-CZ 4.25Å; L337-L389 HydrophobicContact CD1-CD1 4.24Å; L337-L389 HydrophobicContact CD1-CD2 3.98Å; L337-L389 HydrophobicContact CD2-CD2 4.21Å; L337-L396 HydrophobicContact CD1-CD1 4.09Å; L337-L396 HydrophobicContact CG-CD1 4.12Å; L337-I397 PolarHBondContact N-O 2.85Å; L337-F398 HydrophobicContact CB-CD1 4.04Å; L337-F398 HydrophobicContact CB-CE1 4.39Å; L337-F398 HydrophobicContact CD1-CE1 4.04Å; L337-F398 WeakPolarHBondContact O-CA 3.3Å; L337-C399 PolarHBondContact O-N 3.3Å
338	T	92.4	Very high	83.2	Confident	50 Å²	50	75.6 Å²	75.6	31%	0.307	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118	173.1	-49.9	0	0	0	0	110.2	K367 C399 K401	T338-K367 PolarHBondContact O-NZ 3.26Å; T338-C399 CarbonylContact C-O 3.46Å; T338-C399 VanDerWaalsContact CA-O 3.32Å; T338-C399 WeakPolarHBondContact CA-O 3.29Å; T338-K401 HydrophobicContact CG2-CB 4.08Å
339	L	91	Very high	81.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.2	175.4	-56.1	179.8	0	0	0	109	L361 I364 L365 F368 F398 C399 I400 K401	L339-L361 HydrophobicContact CD1-CD1 3.82Å; L339-I364 HydrophobicContact CB-CB 4.44Å; L339-I364 HydrophobicContact CB-CD1 4Å; L339-I364 HydrophobicContact CB-CG1 4.4Å; L339-I364 HydrophobicContact CD1-CD1 3.71Å; L339-I364 HydrophobicContact CD1-CG1 4.13Å; L339-I364 HydrophobicContact CG-CD1 4.38Å; L339-L365 HydrophobicContact CD2-CD2 3.79Å; L339-F368 HydrophobicContact CD2-CD2 4.47Å; L339-F368 HydrophobicContact CD2-CE2 3.59Å; L339-F368 HydrophobicContact CD2-CZ 4.43Å; L339-F398 HydrophobicContact CD1-CB 3.74Å; L339-F398 HydrophobicContact CD1-CD1 4.33Å; L339-F398 HydrophobicContact CD1-CD2 4Å; L339-F398 HydrophobicContact CD1-CG 3.79Å; L339-F398 HydrophobicContact CG-CB 4.3Å; L339-F398 HydrophobicContact CG-CG 4.45Å; L339-C399 PolarHBondContact N-O 3.22Å; L339-I400 HydrophobicContact CB-CG1 4.28Å; L339-I400 HydrophobicContact CD1-CG1 4.08Å; L339-K401 PolarHBondContact O-N 3.41Å
340	D	88.1	Confident	80.6	Confident	42 Å²	42	78.9 Å²	78.9	23%	0.225	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.2	177.5	-58.3	-83.7	0	0	0	108.7	K367 K374	D340-K367 IonicContact OD2-NZ 3.3Å; D340-K367 PolarHBondContact OD2-NZ 2.81Å; D340-K374 IonicContact OD1-NZ 3.61Å; D340-K374 PolarHBondContact OD1-NZ 2.77Å; D340-K374 VanDerWaalsContact OD1-NZ 3.09Å; D340-K374 IonicContact OD2-NZ 2.87Å; D340-K374 PolarHBondContact OD2-NZ 2.84Å
341	L	87.4	Confident	79.2	Confident	20 Å²	20	84.1 Å²	84.1	11%	0.105	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-77.6	143.6	172.5	-67.8	170.7	0	0	0	109.8	I364 I400 R402 N413 T415 V417	L341-I364 HydrophobicContact CD2-CG2 4.49Å; L341-I400 HydrophobicContact CD1-CG2 3.53Å; L341-I400 HydrophobicContact CD2-CG2 3.78Å; L341-I400 HydrophobicContact CG-CG2 3.56Å; L341-R402 HydrophobicContact CD1-CG 3.91Å; L341-N413 WeakPolarHBondContact CB-ND2 3.16Å; L341-N413 HydrophobicContact CD1-CB 4.1Å; L341-T415 HydrophobicContact CD2-CG2 4.35Å; L341-V417 HydrophobicContact CD2-CG2 3.59Å
342	P	83.7	Confident	77.4	Confident	62 Å²	62	86 Å²	86	40%	0.403	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-60.8	149.1	167.4	27.9	-32.9	0	0	0	109.5	A344 V359 N413	P342-A344 PolarHBondContact O-N 3.26Å; P342-V359 HydrophobicContact CG-CG2 3.61Å; P342-N413 PolarHBondContact O-ND2 3.44Å
343	T	78.3	Confident	75.8	Confident	126 Å²	126	90.9 Å²	90.9	77%	0.773	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-58.3	137.1	176.4	47.9	0	0	0	0	109.7
344	A	74.2	Confident	73.9	Confident	39 Å²	39	94.3 Å²	94.3	32%	0.322	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-55.9	136.8	176	0	0	0	0	0	109.4	P342 L346	P342-A344 PolarHBondContact O-N 3.26Å; A344-L346 PolarHBondContact O-N 3.1Å
345	P	70.3	Confident	72.5	Confident	92 Å²	92	98.2 Å²	98.2	60%	0.597	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-56	126.1	177.2	-14.2	22.4	0	0	0	109.6	Y347 P357	P345-Y347 PolarHBondContact O-N 2.85Å; P345-P357 HydrophobicContact CG-CB 4.45Å
346	L	65.5	Low	71.6	Confident	165 Å²	165	101.5 Å²	101.5	86%	0.864	51%	0.512	S	S	*	.	S	Bend	trans	-66.8	-21.5	-179.5	-81.3	144.2	0	0	0	112.6	A344	A344-L346 PolarHBondContact O-N 3.1Å
347	Y	64.9	Low	71.1	Confident	203 Å²	203	100.4 Å²	100.4	80%	0.796	51%	0.509	S	S	*	.	S	Bend	trans	-115.4	136.6	-177.7	-58.3	-77.3	0	0	0	110.3	P345	P345-Y347 PolarHBondContact O-N 2.85Å
348	K	58.4	Low	70.6	Confident	154 Å²	154	106.8 Å²	106.8	67%	0.67	54%	0.539	S	S	*	.			trans	-73.4	142.7	167.1	-62.5	177.9	-177	177.1	0	108.2
349	D	58.3	Low	70.4	Confident	105 Å²	105	105.4 Å²	105.4	56%	0.561	53%	0.53	S	S	*	.			trans	-61.4	159.6	175.4	-142.8	0.2	0	0	0	110.7	K351 E352 I355	D349-K351 PolarHBondContact O-N 3.38Å; D349-E352 PolarHBondContact O-N 3.18Å; D349-I355 HydrophobicContact CB-CD1 3.52Å
350	E	58.8	Low	70.4	Confident	201 Å²	201	108 Å²	108	94%	0.939	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-8.4	-174.5	-72	-177.1	162.1	0	0	115.1
351	K	59.6	Low	70.5	Confident	168 Å²	168	106 Å²	106	73%	0.73	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	3.5	-175.2	-63.2	-178.5	-178.6	175	0	115.2	D349 Q353	D349-K351 PolarHBondContact O-N 3.38Å; K351-Q353 PolarHBondContact O-N 2.92Å
352	E	50.2	Low	70.5	Confident	168 Å²	168	109.3 Å²	109.3	79%	0.785	55%	0.55	S	S	*	*			trans	49.5	11.9	178.7	-72.4	-144.3	148.2	0	0	116.9	D349	D349-E352 PolarHBondContact O-N 3.18Å
353	Q	54.9	Low	70.7	Confident	140 Å²	140	111.6 Å²	111.6	65%	0.654	56%	0.559	S	S	*	*			trans	-71.7	137.9	170.1	-63.7	-165.1	-9.5	0	0	108.2	K351 I355	K351-Q353 PolarHBondContact O-N 2.92Å; Q353-I355 HydrophobicContact CB-CG1 4.36Å; Q353-I355 PolarHBondContact O-N 2.81Å
354	L	49.7	Very low	71.2	Confident	156 Å²	156	106.1 Å²	106.1	82%	0.817	53%	0.525	S	S	*	.			trans	-62.6	81.9	167.3	-80.2	124.6	0	0	0	108.1	I356	L354-I356 VanDerWaalsContact C-N 3.31Å; L354-I356 PolarHBondContact O-N 3.32Å
355	I	61.5	Low	71.8	Confident	97 Å²	97	104.4 Å²	104.4	50%	0.497	51%	0.51	S	S	.	.			trans	-75.6	94.5	175.2	-61.2	163.7	0	0	0	105.2	D349 Q353 P357	D349-I355 HydrophobicContact CB-CD1 3.52Å; Q353-I355 HydrophobicContact CB-CG1 4.36Å; Q353-I355 PolarHBondContact O-N 2.81Å; I355-P357 VanDerWaalsContact O-CD 3.25Å; I355-P357 WeakPolarHBondContact O-CD 3.42Å; I355-P357 VanDerWaalsContact O-N 3.12Å
356	I	71.6	Confident	72.5	Confident	98 Å²	98	100.6 Å²	100.6	50%	0.503	49%	0.488	S	S	.	.			trans	-57.2	115.8	161.8	-58.5	175.1	0	0	0	105.4	L354 Q358 P414 I416	L354-I356 VanDerWaalsContact C-N 3.31Å; L354-I356 PolarHBondContact O-N 3.32Å; I356-Q358 PolarHBondContact O-N 3.41Å; I356-P414 WeakPolarHBondContact CG2-O 3.41Å; I356-I416 HydrophobicContact CG2-CB 4.49Å; I356-I416 HydrophobicContact CG2-CD1 4.35Å; I356-I416 HydrophobicContact CG2-CG1 3.48Å; I356-I416 VanDerWaalsContact CG2-CG1 3.48Å
357	P	81.3	Confident	73.4	Confident	22 Å²	22	93.9 Å²	93.9	14%	0.143	45%	0.452	C	S	.	.			trans	-63.2	141	-174.2	19.5	-25.5	0	0	0	109.7	P345 I355 T415 I416	P345-P357 HydrophobicContact CG-CB 4.45Å; I355-P357 VanDerWaalsContact O-CD 3.25Å; I355-P357 WeakPolarHBondContact O-CD 3.42Å; I355-P357 VanDerWaalsContact O-N 3.12Å; P357-T415 HydrophobicContact CB-CG2 4.27Å; P357-T415 HydrophobicContact CG-CG2 4.47Å; P357-T415 WeakPolarHBondContact CG-OG1 3.4Å; P357-T415 CarbonylContact O-C 3.35Å; P357-T415 VanDerWaalsContact O-CA 3.27Å; P357-T415 WeakPolarHBondContact O-CA 3.46Å; P357-T415 WeakPolarHBondContact O-CG2 2.97Å; P357-I416 PolarHBondContact O-N 2.99Å
358	Q	82.5	Confident	74.4	Confident	135 Å²	135	84.4 Å²	84.4	63%	0.631	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.6	179.9	-61.6	-171.9	2.7	0	0	110.4	I356 I416	I356-Q358 PolarHBondContact O-N 3.41Å; Q358-I416 CarbonylContact C-O 3.53Å; Q358-I416 VanDerWaalsContact CA-O 3.31Å; Q358-I416 WeakPolarHBondContact CA-O 3.41Å; Q358-I416 HydrophobicContact CG-CB 4.39Å
359	V	89.4	Confident	75.6	Confident	20 Å²	20	79 Å²	79	12%	0.121	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.9	179.2	176.8	0	0	0	0	109.7	P342 N363 I364 T415 I416 V417 N418	P342-V359 HydrophobicContact CG-CG2 3.61Å; V359-N363 HydrophobicContact CG1-CB 4.11Å; V359-I364 HydrophobicContact CG1-CG2 3.91Å; V359-T415 HydrophobicContact CB-CG2 3.96Å; V359-T415 HydrophobicContact CG2-CG2 3.48Å; V359-T415 VanDerWaalsContact CG2-CG2 3.48Å; V359-I416 PolarHBondContact N-O 2.79Å; V359-V417 CarbonylContact O-C 3.56Å; V359-V417 VanDerWaalsContact O-CA 3.26Å; V359-V417 WeakPolarHBondContact O-CA 3.15Å; V359-N418 PolarHBondContact O-N 2.9Å
360	P	89.9	Confident	76.5	Confident	55 Å²	55	74.1 Å²	74.1	36%	0.357	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	143.1	172.3	-22.9	33.6	0	0	0	112.6	F362 N363 N418	P360-F362 VanDerWaalsContact C-N 3.25Å; P360-F362 PolarHBondContact O-N 2.87Å; P360-N363 WeakPolarHBondContact O-CB 3.44Å; P360-N363 PolarHBondContact O-N 2.87Å; P360-N363 VanDerWaalsContact O-N 3.12Å; P360-N418 CarbonylContact C-O 3.57Å; P360-N418 WeakPolarHBondContact CA-O 3.13Å
361	L	89.4	Confident	77.5	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-56.4	-39.3	175.8	178.1	63.2	0	0	0	112.4	L339 N363 I364 L365 F398 V417 N418 F419 V424 W498	L339-L361 HydrophobicContact CD1-CD1 3.82Å; L361-N363 PolarHBondContact O-N 2.86Å; L361-I364 HydrophobicContact CD1-CD1 3.93Å; L361-I364 HydrophobicContact CD1-CG1 4.07Å; L361-I364 WeakPolarHBondContact O-CG1 3.45Å; L361-I364 PolarHBondContact O-N 2.99Å; L361-L365 HydrophobicContact CD1-CD1 4.19Å; L361-L365 HydrophobicContact CD1-CG 4.16Å; L361-L365 HydrophobicContact CD2-CD1 4.19Å; L361-L365 HydrophobicContact CG-CD1 3.73Å; L361-L365 HydrophobicContact CG-CG 4.17Å; L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CG 3.12Å; L361-L365 PolarHBondContact O-N 2.87Å; L361-F398 HydrophobicContact CD1-CD2 4.29Å; L361-F398 HydrophobicContact CD1-CE2 4.34Å; L361-F398 HydrophobicContact CD2-CE2 4.33Å; L361-V417 HydrophobicContact CB-CG1 4.04Å; L361-V417 HydrophobicContact CD1-CG1 4.23Å; L361-N418 PolarHBondContact N-O 3.07Å; L361-F419 HydrophobicContact CB-CB 3.84Å; L361-F419 HydrophobicContact CD2-CB 3.67Å; L361-F419 HydrophobicContact CG-CB 4.28Å; L361-V424 HydrophobicContact CD2-CG2 4.3Å; L361-W498 HydrophobicContact CD2-CH2 4.1Å; L361-W498 HydrophobicContact CD2-CZ2 3.86Å
362	F	88.6	Confident	78.6	Confident	90 Å²	90	65.8 Å²	65.8	40%	0.395	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-30.4	179.8	-58.3	-75.3	0	0	0	113	P360 L365 G366 P420 V424 Y429	P360-F362 VanDerWaalsContact C-N 3.25Å; P360-F362 PolarHBondContact O-N 2.87Å; F362-L365 PolarHBondContact O-N 2.91Å; F362-G366 PolarHBondContact O-N 3.43Å; F362-P420 HydrophobicContact CE2-CG 4.3Å; F362-P420 HydrophobicContact CZ-CG 4.16Å; F362-V424 HydrophobicContact CE1-CG1 4.33Å; F362-Y429 WeakPolarHBondContact CA-OH 3.41Å; F362-Y429 PolarHBondContact O-OH 3.18Å
363	N	87.6	Confident	80.1	Confident	110 Å²	110	63.1 Å²	63.1	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-70.1	-42.4	178.5	-68.7	10.2	0	0	0	111.4	V359 P360 L361 G366	V359-N363 HydrophobicContact CG1-CB 4.11Å; P360-N363 WeakPolarHBondContact O-CB 3.44Å; P360-N363 PolarHBondContact O-N 2.87Å; P360-N363 VanDerWaalsContact O-N 3.12Å; L361-N363 PolarHBondContact O-N 2.86Å; N363-G366 PolarHBondContact O-N 3.39Å
364	I	88.3	Confident	81.4	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-76.2	-25.6	177.3	57.9	-180	0	0	0	112.2	L339 L341 V359 L361 G366 V417	L339-I364 HydrophobicContact CB-CB 4.44Å; L339-I364 HydrophobicContact CB-CD1 4Å; L339-I364 HydrophobicContact CB-CG1 4.4Å; L339-I364 HydrophobicContact CD1-CD1 3.71Å; L339-I364 HydrophobicContact CD1-CG1 4.13Å; L339-I364 HydrophobicContact CG-CD1 4.38Å; L341-I364 HydrophobicContact CD2-CG2 4.49Å; V359-I364 HydrophobicContact CG1-CG2 3.91Å; L361-I364 HydrophobicContact CD1-CD1 3.93Å; L361-I364 HydrophobicContact CD1-CG1 4.07Å; L361-I364 WeakPolarHBondContact O-CG1 3.45Å; L361-I364 PolarHBondContact O-N 2.99Å; I364-G366 VanDerWaalsContact C-N 3.32Å; I364-V417 HydrophobicContact CD1-CG1 3.7Å; I364-V417 HydrophobicContact CD1-CG2 4.03Å
365	L	87.6	Confident	82.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-73.9	-21.7	169.8	-73.1	174.8	0	0	0	113.2	L339 L361 F362 K367 F368 F398 L426 Y429	L339-L365 HydrophobicContact CD2-CD2 3.79Å; L361-L365 HydrophobicContact CD1-CD1 4.19Å; L361-L365 HydrophobicContact CD1-CG 4.16Å; L361-L365 HydrophobicContact CD2-CD1 4.19Å; L361-L365 HydrophobicContact CG-CD1 3.73Å; L361-L365 HydrophobicContact CG-CG 4.17Å; L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CG 3.12Å; L361-L365 PolarHBondContact O-N 2.87Å; F362-L365 PolarHBondContact O-N 2.91Å; L365-K367 PolarHBondContact O-N 3.43Å; L365-F368 HydrophobicContact CD2-CD2 4.26Å; L365-F368 HydrophobicContact CD2-CE2 4.5Å; L365-F368 PolarHBondContact O-N 3.17Å; L365-F398 HydrophobicContact CD1-CZ 4.45Å; L365-F398 HydrophobicContact CD2-CE1 3.96Å; L365-F398 HydrophobicContact CD2-CE2 4.3Å; L365-F398 HydrophobicContact CD2-CZ 3.75Å; L365-L426 HydrophobicContact CD1-CD2 3.77Å; L365-Y429 HydrophobicContact CB-CE1 3.98Å; L365-Y429 HydrophobicContact CB-CE2 3.93Å; L365-Y429 HydrophobicContact CD1-CE2 4.01Å
366	G	83.8	Confident	83.8	Confident	12 Å²	12	56.2 Å²	56.2	12%	0.124	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-49.7	-26.9	173.3	0	0	0	0	0	113.4	F362 N363 I364 F368 N369 T372	F362-G366 PolarHBondContact O-N 3.43Å; N363-G366 PolarHBondContact O-N 3.39Å; I364-G366 VanDerWaalsContact C-N 3.32Å; G366-F368 PolarHBondContact O-N 3.45Å; G366-N369 PolarHBondContact O-N 3.43Å; G366-N369 PolarHBondContact O-ND2 3.33Å; G366-N369 VanDerWaalsContact O-ND2 3.13Å; G366-N369 PolarHBondContact O-OD1 3.35Å; G366-T372 WeakPolarHBondContact O-CB 3.3Å; G366-T372 PolarHBondContact O-OG1 3.04Å; G366-T372 VanDerWaalsContact O-OG1 3.05Å
367	K	85.1	Confident	84.1	Confident	24 Å²	24	58.8 Å²	58.8	10%	0.104	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-51.7	-28.2	171.2	179.5	-180	169	-171.5	0	114.9	T338 D340 L365 F387	T338-K367 PolarHBondContact O-NZ 3.26Å; D340-K367 IonicContact OD2-NZ 3.3Å; D340-K367 PolarHBondContact OD2-NZ 2.81Å; L365-K367 PolarHBondContact O-N 3.43Å; K367-F387 HydrophobicContact CG-CD2 4.13Å
368	F	85.9	Confident	83.8	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.022	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-105.5	11.2	-172.9	-54.5	-71.5	0	0	0	114.6	M299 L337 L339 L365 G366 G370 F387 Q388 L389	M299-F368 HydrophobicContact CE-CE1 4.36Å; L337-F368 HydrophobicContact CB-CE2 4Å; L337-F368 HydrophobicContact CB-CZ 3.79Å; L337-F368 HydrophobicContact CD1-CD2 4.16Å; L337-F368 HydrophobicContact CD1-CE2 3.98Å; L337-F368 HydrophobicContact CD1-CZ 4.2Å; L337-F368 HydrophobicContact CD2-CE1 3.98Å; L337-F368 HydrophobicContact CD2-CZ 4.05Å; L337-F368 HydrophobicContact CG-CE2 4.44Å; L337-F368 HydrophobicContact CG-CZ 4.25Å; L339-F368 HydrophobicContact CD2-CD2 4.47Å; L339-F368 HydrophobicContact CD2-CE2 3.59Å; L339-F368 HydrophobicContact CD2-CZ 4.43Å; L365-F368 HydrophobicContact CD2-CD2 4.26Å; L365-F368 HydrophobicContact CD2-CE2 4.5Å; L365-F368 PolarHBondContact O-N 3.17Å; G366-F368 PolarHBondContact O-N 3.45Å; F368-G370 VanDerWaalsContact C-N 3.31Å; F368-F387 CarbonylContact C-O 3.47Å; F368-F387 WeakPolarHBondContact CA-O 3.29Å; F368-F387 HydrophobicContact CD1-CB 3.71Å; F368-F387 HydrophobicContact CD1-CG 4.4Å; F368-F387 HydrophobicContact CE1-CB 4.31Å; F368-Q388 WeakPolarHBondContact O-CA 3.13Å; F368-L389 HydrophobicContact CB-CD1 4.28Å; F368-L389 HydrophobicContact CB-CD2 4.23Å; F368-L389 HydrophobicContact CB-CG 3.98Å; F368-L389 HydrophobicContact CD1-CD2 4.32Å; F368-L389 HydrophobicContact CG-CD2 4.37Å
369	N	82.8	Confident	83.1	Confident	41 Å²	41	65.6 Å²	65.6	22%	0.219	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-82.8	-0.2	179.7	66.3	6.2	0	0	0	114.6	G366 N371 T372 Q388 Y429	G366-N369 PolarHBondContact O-N 3.43Å; G366-N369 PolarHBondContact O-ND2 3.33Å; G366-N369 VanDerWaalsContact O-ND2 3.13Å; G366-N369 PolarHBondContact O-OD1 3.35Å; N369-N371 PolarHBondContact O-N 3.25Å; N369-N371 WeakPolarHBondContact OD1-CA 3.4Å; N369-N371 PolarHBondContact OD1-N 3.05Å; N369-T372 PolarHBondContact OD1-N 2.84Å; N369-T372 PolarHBondContact OD1-OG1 2.86Å; N369-Q388 VanDerWaalsContact C-OE1 3.29Å; N369-Q388 PolarHBondContact O-OE1 2.92Å; N369-Y429 HydrophobicContact CB-CD1 3.96Å; N369-Y429 HydrophobicContact CB-CE1 4.48Å
370	G	77.3	Confident	82.1	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.01	35%	0.35	C	S	.	.	S	Bend	trans	71.2	1.1	-174.6	0	0	0	0	0	116.7	F368 R386 F387	F368-G370 VanDerWaalsContact C-N 3.31Å; G370-R386 WeakPolarHBondContact O-CD 3.25Å; G370-R386 PolarHBondContact O-NH1 2.85Å; G370-F387 WeakPolarHBondContact CA-O 3.36Å; G370-F387 PolarHBondContact N-O 3.45Å
371	N	80.4	Confident	81.6	Confident	131 Å²	131	73.4 Å²	73.4	70%	0.701	35%	0.348	S	S	*	.	S	Bend	trans	-106	-36	176.5	-65.1	-22.1	0	0	0	111.7	N369 E373	N369-N371 PolarHBondContact O-N 3.25Å; N369-N371 WeakPolarHBondContact OD1-CA 3.4Å; N369-N371 PolarHBondContact OD1-N 3.05Å; N371-E373 PolarHBondContact O-N 2.97Å
372	T	82.3	Confident	81.2	Confident	63 Å²	63	75.3 Å²	75.3	39%	0.387	36%	0.358	S	S	.	.			trans	-74.5	110.9	-178.5	-59.5	0	0	0	0	110.6	G366 N369	G366-T372 WeakPolarHBondContact O-CB 3.3Å; G366-T372 PolarHBondContact O-OG1 3.04Å; G366-T372 VanDerWaalsContact O-OG1 3.05Å; N369-T372 PolarHBondContact OD1-N 2.84Å; N369-T372 PolarHBondContact OD1-OG1 2.86Å
373	E	82.9	Confident	81	Confident	112 Å²	112	73.2 Å²	73.2	52%	0.523	35%	0.349	S	S	.	.			trans	-83.1	132.6	173.7	-57.1	-176.6	159.6	0	0	110.3	N371 L384	N371-E373 PolarHBondContact O-N 2.97Å; E373-L384 HydrophobicContact CB-CD2 4.01Å
374	K	82.1	Confident	80.9	Confident	56 Å²	56	69 Å²	69	24%	0.243	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.5	175.2	-173.7	175.7	-179.8	-168.7	0	110.4	D340 Y376 K385	D340-K374 IonicContact OD1-NZ 3.61Å; D340-K374 PolarHBondContact OD1-NZ 2.77Å; D340-K374 VanDerWaalsContact OD1-NZ 3.09Å; D340-K374 IonicContact OD2-NZ 2.87Å; D340-K374 PolarHBondContact OD2-NZ 2.84Å; K374-Y376 HydrophobicContact CB-CD2 4.48Å; K374-Y376 HydrophobicContact CB-CE2 4Å; K374-Y376 HydrophobicContact CD-CE2 3.71Å; K374-Y376 HydrophobicContact CG-CD2 4.28Å; K374-Y376 HydrophobicContact CG-CE2 3.8Å; K374-Y376 WeakPolarHBondContact O-CD2 3.27Å; K374-K385 PolarHBondContact N-O 3.29Å; K374-K385 PolarHBondContact O-N 3.37Å
375	E	81.3	Confident	80.9	Confident	115 Å²	115	71.5 Å²	71.5	54%	0.537	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.9	172.3	-69.3	-176.2	-167.3	0	0	111.5	K377 F383 L384	E375-K377 WeakPolarHBondContact OE2-CE 3.27Å; E375-K377 IonicContact OE2-NZ 2.63Å; E375-K377 PolarHBondContact OE2-NZ 3.2Å; E375-F383 CarbonylContact C-O 3.58Å; E375-F383 WeakPolarHBondContact CA-O 3.26Å; E375-L384 HydrophobicContact CG-CD2 3.66Å
376	Y	80.8	Confident	81	Confident	78 Å²	78	74.4 Å²	74.4	31%	0.306	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.8	169.2	-77.7	-96.5	0	0	0	108.3	K374 N382 F383 K385 F387	K374-Y376 HydrophobicContact CB-CD2 4.48Å; K374-Y376 HydrophobicContact CB-CE2 4Å; K374-Y376 HydrophobicContact CD-CE2 3.71Å; K374-Y376 HydrophobicContact CG-CD2 4.28Å; K374-Y376 HydrophobicContact CG-CE2 3.8Å; K374-Y376 WeakPolarHBondContact O-CD2 3.27Å; Y376-N382 WeakPolarHBondContact O-CA 3.45Å; Y376-F383 PolarHBondContact N-O 2.9Å; Y376-F383 PolarHBondContact O-N 3.1Å; Y376-K385 HydrophobicContact CD2-CB 3.86Å; Y376-K385 HydrophobicContact CD2-CD 3.84Å; Y376-K385 HydrophobicContact CD2-CG 3.86Å; Y376-K385 HydrophobicContact CE2-CB 3.88Å; Y376-K385 HydrophobicContact CE2-CD 4.05Å; Y376-K385 HydrophobicContact CE2-CG 4.26Å; Y376-K385 HydrophobicContact CG-CD 4.28Å; Y376-F387 HydrophobicContact CE2-CE2 4.02Å; Y376-F387 AromaticContact CE2-CZ 3.96Å; Y376-F387 HydrophobicContact CE2-CZ 3.96Å
377	K	76.4	Confident	81.2	Confident	151 Å²	151	74.6 Å²	74.6	66%	0.657	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.1	177.5	-54.7	-172.2	178.4	173.8	0	108.7	E375 N382	E375-K377 WeakPolarHBondContact OE2-CE 3.27Å; E375-K377 IonicContact OE2-NZ 2.63Å; E375-K377 PolarHBondContact OE2-NZ 3.2Å; K377-N382 WeakPolarHBondContact CG-OD1 3.46Å
378	T	75.4	Confident	81.4	Confident	85 Å²	85	74.7 Å²	74.7	52%	0.521	35%	0.346	S	S	.	.			trans	-100.6	176.4	164.9	-170	0	0	0	0	109.6	K380 E381 F383	T378-K380 PolarHBondContact O-N 3.32Å; T378-E381 HydrophobicContact CG2-CB 3.67Å; T378-E381 HydrophobicContact CG2-CG 4.48Å; T378-E381 WeakPolarHBondContact CG2-O 3.39Å; T378-E381 PolarHBondContact N-O 2.95Å; T378-F383 HydrophobicContact CG2-CE2 4.09Å
379	Y	67.1	Low	81.5	Confident	215 Å²	215	74.6 Å²	74.6	84%	0.843	35%	0.346	S	S	*	.	S	Bend	trans	-58.3	-21.8	-173.7	-176.5	-107.2	0	0	0	114.5
380	K	69.7	Low	81.8	Confident	169 Å²	169	73.5 Å²	73.5	74%	0.735	34%	0.341	S	S	*	.	S	Bend	trans	-132.1	-12.4	-177.8	-69.3	-176.4	175.6	-174.6	0	115	T378	T378-K380 PolarHBondContact O-N 3.32Å
381	E	77.7	Confident	82.3	Confident	71 Å²	71	78.6 Å²	78.6	33%	0.332	36%	0.363	S	S	.	.			trans	-142.2	142.9	-166.4	-58	-179.8	157.3	0	0	110.1	K305 T378 F383	K305-E381 VanDerWaalsContact CE-CD 3.42Å; K305-E381 VanDerWaalsContact CE-OE1 3.29Å; K305-E381 WeakPolarHBondContact CE-OE1 3.43Å; K305-E381 VanDerWaalsContact NZ-CD 3.28Å; K305-E381 IonicContact NZ-OE1 2.65Å; K305-E381 PolarHBondContact NZ-OE1 2.94Å; K305-E381 IonicContact NZ-OE2 3.7Å; T378-E381 HydrophobicContact CG2-CB 3.67Å; T378-E381 HydrophobicContact CG2-CG 4.48Å; T378-E381 WeakPolarHBondContact CG2-O 3.39Å; T378-E381 PolarHBondContact N-O 2.95Å; E381-F383 HydrophobicContact CB-CD2 4.45Å; E381-F383 HydrophobicContact CB-CE2 3.74Å; E381-F383 HydrophobicContact CB-CZ 4.08Å; E381-F383 WeakPolarHBondContact OE2-CZ 3.45Å
382	N	82.8	Confident	82.7	Confident	39 Å²	39	72.5 Å²	72.5	21%	0.209	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.2	173.3	-64.3	-34.4	0	0	0	107.8	L306 Y376 K377	L306-N382 HydrophobicContact CB-CB 3.91Å; L306-N382 WeakPolarHBondContact CB-O 3.46Å; L306-N382 HydrophobicContact CD1-CB 4.25Å; L306-N382 PolarHBondContact N-O 2.75Å; Y376-N382 WeakPolarHBondContact O-CA 3.45Å; K377-N382 WeakPolarHBondContact CG-OD1 3.46Å
383	F	84.4	Confident	83.1	Confident	47 Å²	47	69.5 Å²	69.5	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	176.1	-63.6	-85.7	0	0	0	109.3	K304 K305 E375 Y376 T378 E381 K385	K304-F383 CarbonylContact O-C 3.54Å; K304-F383 WeakPolarHBondContact O-CA 3.42Å; K305-F383 HydrophobicContact CB-CD1 4.1Å; K305-F383 HydrophobicContact CB-CE1 4Å; K305-F383 HydrophobicContact CD-CE1 4.29Å; K305-F383 HydrophobicContact CG-CD1 4.29Å; K305-F383 HydrophobicContact CG-CE1 3.94Å; E375-F383 CarbonylContact C-O 3.58Å; E375-F383 WeakPolarHBondContact CA-O 3.26Å; Y376-F383 PolarHBondContact N-O 2.9Å; Y376-F383 PolarHBondContact O-N 3.1Å; T378-F383 HydrophobicContact CG2-CE2 4.09Å; E381-F383 HydrophobicContact CB-CD2 4.45Å; E381-F383 HydrophobicContact CB-CE2 3.74Å; E381-F383 HydrophobicContact CB-CZ 4.08Å; E381-F383 WeakPolarHBondContact OE2-CZ 3.45Å; F383-K385 HydrophobicContact CB-CG 4.39Å
384	L	85.5	Confident	83.6	Confident	22 Å²	22	66.5 Å²	66.5	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.9	160.1	-72.9	166	0	0	0	107.7	K304 L306 E373 E375	K304-L384 HydrophobicContact CB-CB 4.37Å; K304-L384 PolarHBondContact N-O 2.82Å; K304-L384 PolarHBondContact O-N 3.34Å; L306-L384 HydrophobicContact CD1-CD1 3.84Å; L306-L384 HydrophobicContact CD1-CD2 4.3Å; L306-L384 HydrophobicContact CD1-CG 3.66Å; L306-L384 HydrophobicContact CD2-CD1 3.57Å; L306-L384 HydrophobicContact CD2-CG 4.21Å; L306-L384 HydrophobicContact CG-CD1 3.81Å; L306-L384 HydrophobicContact CG-CG 3.87Å; E373-L384 HydrophobicContact CB-CD2 4.01Å; E375-L384 HydrophobicContact CG-CD2 3.66Å
385	K	87.8	Confident	84.2	Confident	62 Å²	62	64.4 Å²	64.4	27%	0.27	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.2	174.9	-64.4	-169.6	177.3	-172.6	0	110	I301 F302 S303 K374 Y376 F383 F387	I301-K385 HydrophobicContact CG2-CD 4.3Å; F302-K385 CarbonylContact O-C 3.04Å; F302-K385 VanDerWaalsContact O-CA 3.25Å; F302-K385 WeakPolarHBondContact O-CA 3.49Å; S303-K385 WeakPolarHBondContact OG-CE 3.47Å; K374-K385 PolarHBondContact N-O 3.29Å; K374-K385 PolarHBondContact O-N 3.37Å; Y376-K385 HydrophobicContact CD2-CB 3.86Å; Y376-K385 HydrophobicContact CD2-CD 3.84Å; Y376-K385 HydrophobicContact CD2-CG 3.86Å; Y376-K385 HydrophobicContact CE2-CB 3.88Å; Y376-K385 HydrophobicContact CE2-CD 4.05Å; Y376-K385 HydrophobicContact CE2-CG 4.26Å; Y376-K385 HydrophobicContact CG-CD 4.28Å; F383-K385 HydrophobicContact CB-CG 4.39Å; K385-F387 HydrophobicContact CB-CE2 3.92Å; K385-F387 HydrophobicContact CB-CZ 3.92Å; K385-F387 HydrophobicContact CD-CZ 4.36Å
386	R	88.6	Confident	84.8	Confident	63 Å²	63	59 Å²	59	24%	0.238	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.6	165.7	58.4	167.4	-178.1	164.2	-3.6	109.5	F302 E327 G370	F302-R386 HydrophobicContact CB-CG 3.48Å; F302-R386 VanDerWaalsContact CB-CG 3.48Å; F302-R386 HydrophobicContact CD2-CG 3.77Å; F302-R386 VanDerWaalsContact CE1-NH2 3.34Å; F302-R386 HydrophobicContact CG-CG 3.89Å; F302-R386 PolarHBondContact N-O 2.89Å; F302-R386 PolarHBondContact O-N 3.32Å; E327-R386 VanDerWaalsContact CD-NH2 3.26Å; E327-R386 IonicContact OE1-CZ 3.41Å; E327-R386 VanDerWaalsContact OE1-CZ 3.3Å; E327-R386 IonicContact OE1-NE 3.44Å; E327-R386 PolarHBondContact OE1-NE 3.19Å; E327-R386 IonicContact OE1-NH2 3.69Å; E327-R386 PolarHBondContact OE1-NH2 3.01Å; E327-R386 IonicContact OE2-CZ 2.8Å; E327-R386 IonicContact OE2-NE 2.74Å; E327-R386 IonicContact OE2-NH2 3.06Å; E327-R386 PolarHBondContact OE2-NH2 3.47Å; G370-R386 WeakPolarHBondContact O-CD 3.25Å; G370-R386 PolarHBondContact O-NH1 2.85Å
387	F	89.1	Confident	85.5	Confident	16 Å²	16	55.2 Å²	55.2	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.3	-178	-56.8	-92.7	0	0	0	108.8	M299 I301 K367 F368 G370 Y376 K385	M299-F387 HydrophobicContact SD-CD1 3.79Å; I301-F387 HydrophobicContact CB-CD1 4.4Å; I301-F387 HydrophobicContact CB-CE1 4.47Å; I301-F387 HydrophobicContact CD1-CD1 4.23Å; I301-F387 HydrophobicContact CD1-CE1 3.96Å; I301-F387 HydrophobicContact CG1-CD1 3.81Å; I301-F387 HydrophobicContact CG1-CE1 3.98Å; I301-F387 HydrophobicContact CG2-CD1 4.09Å; I301-F387 HydrophobicContact CG2-CE1 3.8Å; I301-F387 HydrophobicContact CG2-CZ 4.45Å; K367-F387 HydrophobicContact CG-CD2 4.13Å; F368-F387 CarbonylContact C-O 3.47Å; F368-F387 WeakPolarHBondContact CA-O 3.29Å; F368-F387 HydrophobicContact CD1-CB 3.71Å; F368-F387 HydrophobicContact CD1-CG 4.4Å; F368-F387 HydrophobicContact CE1-CB 4.31Å; G370-F387 WeakPolarHBondContact CA-O 3.36Å; G370-F387 PolarHBondContact N-O 3.45Å; Y376-F387 HydrophobicContact CE2-CE2 4.02Å; Y376-F387 AromaticContact CE2-CZ 3.96Å; Y376-F387 HydrophobicContact CE2-CZ 3.96Å; K385-F387 HydrophobicContact CB-CE2 3.92Å; K385-F387 HydrophobicContact CB-CZ 3.92Å; K385-F387 HydrophobicContact CD-CZ 4.36Å
388	Q	88.3	Confident	86.4	Confident	27 Å²	27	48.1 Å²	48.1	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.6	176.2	-175.6	82.5	64.5	0	0	109.5	M299 R300 F302 F368 N369 Y429 L430 T431	M299-Q388 CarbonylContact C-O 3.58Å; M299-Q388 WeakPolarHBondContact CA-O 3.23Å; M299-Q388 WeakPolarHBondContact CB-O 3.44Å; R300-Q388 PolarHBondContact N-O 2.93Å; R300-Q388 PolarHBondContact O-N 2.78Å; F302-Q388 HydrophobicContact CE2-CB 4.22Å; F368-Q388 WeakPolarHBondContact O-CA 3.13Å; N369-Q388 VanDerWaalsContact C-OE1 3.29Å; N369-Q388 PolarHBondContact O-OE1 2.92Å; Q388-Y429 VanDerWaalsContact NE2-C 3.35Å; Q388-Y429 PolarHBondContact NE2-O 2.78Å; Q388-L430 PolarHBondContact NE2-O 2.67Å; Q388-T431 HydrophobicContact CG-CG2 3.45Å; Q388-T431 VanDerWaalsContact CG-CG2 3.45Å
389	L	89.3	Confident	87.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.7	177.5	-54.3	177.8	0	0	0	110.5	M299 F334 L337 F368 L392 Y429 L430 T431	M299-L389 HydrophobicContact CB-CD2 4.2Å; F334-L389 HydrophobicContact CE1-CD2 3.91Å; F334-L389 HydrophobicContact CZ-CD2 4.04Å; L337-L389 HydrophobicContact CD1-CD1 4.24Å; L337-L389 HydrophobicContact CD1-CD2 3.98Å; L337-L389 HydrophobicContact CD2-CD2 4.21Å; F368-L389 HydrophobicContact CB-CD1 4.28Å; F368-L389 HydrophobicContact CB-CD2 4.23Å; F368-L389 HydrophobicContact CB-CG 3.98Å; F368-L389 HydrophobicContact CD1-CD2 4.32Å; F368-L389 HydrophobicContact CG-CD2 4.37Å; L389-L392 HydrophobicContact CD1-CD2 3.87Å; L389-Y429 WeakPolarHBondContact CB-O 3.12Å; L389-Y429 PolarHBondContact N-O 3.21Å; L389-L430 HydrophobicContact CB-CD1 4.49Å; L389-L430 WeakPolarHBondContact O-CA 3.43Å; L389-T431 PolarHBondContact O-N 2.85Å; L389-T431 VanDerWaalsContact O-N 3.09Å
390	T	87.8	Confident	88.6	Confident	18 Å²	18	34 Å²	34	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-33.6	175.2	54.4	0	0	0	0	112.6	S298 R300 E331 T431 A434	S298-T390 WeakPolarHBondContact CB-OG1 3.06Å; S298-T390 PolarHBondContact O-N 2.72Å; S298-T390 PolarHBondContact O-OG1 2.86Å; S298-T390 VanDerWaalsContact O-OG1 3.09Å; R300-T390 HydrophobicContact CB-CG2 4.24Å; R300-T390 HydrophobicContact CG-CG2 3.54Å; E331-T390 PolarHBondContact OE1-OG1 2.89Å; T390-T431 HydrophobicContact CG2-CG2 4.09Å; T390-A434 WeakPolarHBondContact O-CB 3.49Å
391	K	87.8	Confident	89.6	Confident	108 Å²	108	30.8 Å²	30.8	47%	0.47	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.1	178.1	-174.4	-176.5	177.8	-176.2	0	110.4	G297 S298	G297-K391 CarbonylContact C-O 3.58Å; G297-K391 WeakPolarHBondContact CA-O 3.23Å; S298-K391 PolarHBondContact N-O 3.23Å; S298-K391 PolarHBondContact O-N 2.7Å
392	L	89.7	Confident	90.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.127	C	C	.	.			trans	-95.6	135.9	177.3	-71.6	179.3	0	0	0	111.8	L389 L426 L430 T441 Y443	L389-L392 HydrophobicContact CD1-CD2 3.87Å; L392-L426 HydrophobicContact CD1-CB 4.17Å; L392-L426 HydrophobicContact CD2-CD1 4.29Å; L392-L430 HydrophobicContact CD1-CD1 3.48Å; L392-L430 VanDerWaalsContact CD1-CD1 3.48Å; L392-L430 HydrophobicContact CD1-CD2 4.05Å; L392-L430 HydrophobicContact CD1-CG 4.33Å; L392-L430 HydrophobicContact CD2-CD1 4.17Å; L392-L430 HydrophobicContact CG-CD1 3.77Å; L392-L430 HydrophobicContact CG-CD2 4.22Å; L392-L430 HydrophobicContact CG-CG 4.35Å; L392-T441 HydrophobicContact CD1-CG2 4.18Å; L392-Y443 WeakPolarHBondContact CB-OH 3.48Å; L392-Y443 HydrophobicContact CD1-CE2 3.94Å
393	P	91.8	Very high	90.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.124	C	C	.	.			trans	-77.9	153.6	175.5	31.4	-33.7	0	0	0	111.7	F295 F334 Y395 L396 Y443	F295-P393 VanDerWaalsContact C-CB 3.5Å; F295-P393 WeakPolarHBondContact O-CB 3.36Å; F334-P393 HydrophobicContact CE2-CG 4.47Å; P393-Y395 WeakPolarHBondContact CB-O 3.44Å; P393-Y395 WeakPolarHBondContact CG-O 3.38Å; P393-Y395 PolarHBondContact O-N 2.92Å; P393-L396 HydrophobicContact CG-CB 4.1Å; P393-L396 HydrophobicContact CG-CD1 3.79Å; P393-Y443 PolarHBondContact O-OH 3.1Å
394	P	92.3	Very high	90.5	Very high	49 Å²	49	27.3 Å²	27.3	32%	0.318	13%	0.13	S	C	.	.	S	Bend	trans	-56.2	-34.4	171.4	-25.6	34.5	0	0	0	113.6	V294 R500	V294-P394 WeakPolarHBondContact O-CD 3.25Å; P394-R500 VanDerWaalsContact O-CB 3.32Å; P394-R500 WeakPolarHBondContact O-CB 3.32Å; P394-R500 PolarHBondContact O-N 2.65Å
395	Y	94.6	Very high	90.3	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.8	170.9	-71.2	-102.7	0	0	0	109.5	V193 P194 P195 V294 F295 P393 V446 I497 W498 K499	V193-Y395 HydrophobicContact CB-CD1 4.44Å; V193-Y395 HydrophobicContact CB-CE1 4.47Å; V193-Y395 HydrophobicContact CG1-CD1 3.73Å; V193-Y395 HydrophobicContact CG1-CD2 4.12Å; V193-Y395 HydrophobicContact CG1-CE1 3.89Å; V193-Y395 HydrophobicContact CG1-CE2 4.31Å; V193-Y395 HydrophobicContact CG1-CG 3.85Å; V193-Y395 HydrophobicContact CG2-CD1 4.15Å; V193-Y395 HydrophobicContact CG2-CE1 4.48Å; P194-Y395 VanDerWaalsContact CD-OH 3.29Å; P194-Y395 WeakPolarHBondContact CD-OH 3.32Å; P195-Y395 VanDerWaalsContact CD-CE2 3.42Å; P195-Y395 WeakPolarHBondContact CD-OH 3.45Å; P195-Y395 HydrophobicContact CG-CD2 4.23Å; P195-Y395 HydrophobicContact CG-CE2 3.48Å; P195-Y395 VanDerWaalsContact CG-CE2 3.48Å; V294-Y395 HydrophobicContact CG1-CD2 3.77Å; V294-Y395 HydrophobicContact CG1-CG 4.06Å; V294-Y395 PolarHBondContact O-N 3.11Å; F295-Y395 WeakPolarHBondContact CD1-O 3.16Å; P393-Y395 WeakPolarHBondContact CB-O 3.44Å; P393-Y395 WeakPolarHBondContact CG-O 3.38Å; P393-Y395 PolarHBondContact O-N 2.92Å; Y395-V446 HydrophobicContact CD1-CG2 4.42Å; Y395-V446 HydrophobicContact CE1-CG2 4.43Å; Y395-I497 HydrophobicContact CD1-CG2 4.12Å; Y395-W498 CarbonylContact C-O 3.57Å; Y395-W498 WeakPolarHBondContact CA-O 3.13Å; Y395-K499 HydrophobicContact CD1-CB 4.08Å; Y395-K499 HydrophobicContact CD1-CG 4.48Å; Y395-K499 HydrophobicContact CE1-CB 3.68Å; Y395-K499 HydrophobicContact CE1-CD 4.16Å; Y395-K499 HydrophobicContact CE1-CG 3.79Å; Y395-K499 HydrophobicContact CE2-CG 4.41Å; Y395-K499 WeakPolarHBondContact OH-CD 3.47Å
396	L	94.3	Very high	89.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.2	-177.8	-177.5	60.3	0	0	0	110	F334 L337 P393 F398 L426 Y443 I497 W498	F334-L396 HydrophobicContact CE2-CD1 3.74Å; F334-L396 HydrophobicContact CZ-CD1 4.41Å; L337-L396 HydrophobicContact CD1-CD1 4.09Å; L337-L396 HydrophobicContact CG-CD1 4.12Å; P393-L396 HydrophobicContact CG-CB 4.1Å; P393-L396 HydrophobicContact CG-CD1 3.79Å; L396-F398 HydrophobicContact CD1-CE1 4.23Å; L396-F398 HydrophobicContact CD2-CD1 4.36Å; L396-F398 HydrophobicContact CD2-CE1 3.34Å; L396-F398 HydrophobicContact CD2-CZ 3.52Å; L396-F398 HydrophobicContact CG-CD1 4.12Å; L396-F398 HydrophobicContact CG-CE1 3.55Å; L396-F398 HydrophobicContact CG-CZ 4.08Å; L396-L426 HydrophobicContact CD2-CD1 3.32Å; L396-Y443 HydrophobicContact CB-CD1 4.12Å; L396-Y443 HydrophobicContact CB-CE1 3.71Å; L396-I497 WeakPolarHBondContact O-CA 3.14Å; L396-W498 HydrophobicContact CB-CB 4.34Å; L396-W498 PolarHBondContact N-O 3.47Å; L396-W498 PolarHBondContact O-N 3.21Å
397	I	96.3	Very high	89.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.8	177.6	-55.2	177.4	0	0	0	109.1	F190 M270 L274 F295 F336 L337 I495 Q496 I497	F190-I397 HydrophobicContact CE1-CD1 4Å; M270-I397 HydrophobicContact CE-CG2 4Å; M270-I397 HydrophobicContact SD-CD1 4.28Å; M270-I397 HydrophobicContact SD-CG2 3.83Å; L274-I397 HydrophobicContact CD1-CD1 4.02Å; F295-I397 HydrophobicContact CD1-CD1 3.54Å; F295-I397 HydrophobicContact CD1-CG1 3.7Å; F295-I397 HydrophobicContact CE1-CD1 3.74Å; F295-I397 HydrophobicContact CE1-CG1 3.95Å; F295-I397 HydrophobicContact CG-CD1 4.06Å; F295-I397 HydrophobicContact CZ-CD1 4.4Å; F336-I397 CarbonylContact C-O 3.55Å; F336-I397 VanDerWaalsContact CA-O 3.31Å; F336-I397 WeakPolarHBondContact CA-O 3.43Å; F336-I397 HydrophobicContact CB-CB 3.7Å; F336-I397 HydrophobicContact CB-CG2 3.79Å; L337-I397 PolarHBondContact N-O 2.85Å; I397-I495 HydrophobicContact CG2-CG2 3.86Å; I397-Q496 CarbonylContact C-O 3.55Å; I397-Q496 VanDerWaalsContact CA-O 3.26Å; I397-Q496 WeakPolarHBondContact CA-O 3.38Å; I397-I497 HydrophobicContact CG1-CG1 4.27Å
398	F	95.4	Very high	88.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.7	167.9	-61.8	-29.3	0	0	0	110.2	L337 L339 L361 L365 L396 L426 I495 Q496 W498	L337-F398 HydrophobicContact CB-CD1 4.04Å; L337-F398 HydrophobicContact CB-CE1 4.39Å; L337-F398 HydrophobicContact CD1-CE1 4.04Å; L337-F398 WeakPolarHBondContact O-CA 3.3Å; L339-F398 HydrophobicContact CD1-CB 3.74Å; L339-F398 HydrophobicContact CD1-CD1 4.33Å; L339-F398 HydrophobicContact CD1-CD2 4Å; L339-F398 HydrophobicContact CD1-CG 3.79Å; L339-F398 HydrophobicContact CG-CB 4.3Å; L339-F398 HydrophobicContact CG-CG 4.45Å; L361-F398 HydrophobicContact CD1-CD2 4.29Å; L361-F398 HydrophobicContact CD1-CE2 4.34Å; L361-F398 HydrophobicContact CD2-CE2 4.33Å; L365-F398 HydrophobicContact CD1-CZ 4.45Å; L365-F398 HydrophobicContact CD2-CE1 3.96Å; L365-F398 HydrophobicContact CD2-CE2 4.3Å; L365-F398 HydrophobicContact CD2-CZ 3.75Å; L396-F398 HydrophobicContact CD1-CE1 4.23Å; L396-F398 HydrophobicContact CD2-CD1 4.36Å; L396-F398 HydrophobicContact CD2-CE1 3.34Å; L396-F398 HydrophobicContact CD2-CZ 3.52Å; L396-F398 HydrophobicContact CG-CD1 4.12Å; L396-F398 HydrophobicContact CG-CE1 3.55Å; L396-F398 HydrophobicContact CG-CZ 4.08Å; F398-L426 HydrophobicContact CZ-CD1 4.49Å; F398-I495 CarbonylContact O-C 3.55Å; F398-I495 VanDerWaalsContact O-CA 3.3Å; F398-I495 WeakPolarHBondContact O-CA 3.34Å; F398-Q496 HydrophobicContact CB-CB 4.31Å; F398-Q496 PolarHBondContact N-O 3.19Å; F398-Q496 PolarHBondContact O-N 3.24Å; F398-W498 AromaticContact CD2-CD1 3.51Å; F398-W498 AromaticContact CD2-CE2 3.89Å; F398-W498 HydrophobicContact CD2-CG 4.49Å; F398-W498 HydrophobicContact CD2-CZ2 4.5Å; F398-W498 AromaticContact CD2-NE1 3.06Å; F398-W498 AromaticContact CE2-CD1 3.65Å; F398-W498 HydrophobicContact CE2-CD2 4.35Å; F398-W498 AromaticContact CE2-CE2 3.83Å; F398-W498 HydrophobicContact CE2-CG 4.25Å; F398-W498 HydrophobicContact CE2-CZ2 4.42Å; F398-W498 AromaticContact CE2-NE1 3.37Å; F398-W498 AromaticContact CG-NE1 3.98Å
399	C	95.1	Very high	88.6	Confident	2 Å²	2	52 Å²	52	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.6	170.6	-63.8	0	0	0	0	108.4	V267 M270 F336 L337 T338 L339 K401	V267-C399 HydrophobicContact CG1-CB 4.25Å; V267-C399 HydrophobicContact CG2-CB 4.09Å; M270-C399 WeakPolarHBondContact CE-SG 3.38Å; F336-C399 HydrophobicContact CD2-CB 4.17Å; L337-C399 PolarHBondContact O-N 3.3Å; T338-C399 CarbonylContact C-O 3.46Å; T338-C399 VanDerWaalsContact CA-O 3.32Å; T338-C399 WeakPolarHBondContact CA-O 3.29Å; L339-C399 PolarHBondContact N-O 3.22Å; C399-K401 PolarHBondContact O-N 3.46Å
400	I	93.6	Very high	88.4	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.4	179.5	-62.2	163.5	0	0	0	107.6	L339 L341 R402 V417 A493 Y494	L339-I400 HydrophobicContact CB-CG1 4.28Å; L339-I400 HydrophobicContact CD1-CG1 4.08Å; L341-I400 HydrophobicContact CD1-CG2 3.53Å; L341-I400 HydrophobicContact CD2-CG2 3.78Å; L341-I400 HydrophobicContact CG-CG2 3.56Å; I400-R402 HydrophobicContact CG2-CG 4.21Å; I400-R402 PolarHBondContact O-N 2.81Å; I400-V417 HydrophobicContact CD1-CB 4.47Å; I400-V417 HydrophobicContact CD1-CG2 4.03Å; I400-V417 HydrophobicContact CG2-CG2 4.3Å; I400-A493 HydrophobicContact CD1-CB 3.84Å; I400-A493 VanDerWaalsContact CD1-O 3.25Å; I400-A493 WeakPolarHBondContact CD1-O 3.31Å; I400-Y494 PolarHBondContact N-O 3.25Å; I400-Y494 VanDerWaalsContact O-CD2 3.26Å; I400-Y494 WeakPolarHBondContact O-CD2 3.08Å; I400-Y494 WeakPolarHBondContact O-CE2 3.48Å
401	K	90.2	Very high	88.3	Confident	102 Å²	102	57.9 Å²	57.9	44%	0.443	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	95.6	-176.1	-173.1	177	178.5	-178.8	0	110.3	T338 L339 C399	T338-K401 HydrophobicContact CG2-CB 4.08Å; L339-K401 PolarHBondContact O-N 3.41Å; C399-K401 PolarHBondContact O-N 3.46Å
402	R	88.9	Confident	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.			trans	-93.6	-30.4	179	-68.2	-173.3	175.9	-75.7	-7.3	114.1	L341 I400 K412 N413 T415 E492 A493 Y494	L341-R402 HydrophobicContact CD1-CG 3.91Å; I400-R402 HydrophobicContact CG2-CG 4.21Å; I400-R402 PolarHBondContact O-N 2.81Å; R402-K412 HydrophobicContact CB-CG 4.45Å; R402-K412 CarbonylContact O-C 3.57Å; R402-K412 WeakPolarHBondContact O-CA 3.39Å; R402-N413 PolarHBondContact NH1-O 3.06Å; R402-N413 PolarHBondContact O-N 2.89Å; R402-T415 PolarHBondContact NH1-O 3.28Å; R402-T415 PolarHBondContact NH2-O 2.95Å; R402-E492 PolarHBondContact NE-O 2.85Å; R402-E492 VanDerWaalsContact NH2-C 3.35Å; R402-A493 VanDerWaalsContact CZ-O 3.24Å; R402-A493 PolarHBondContact NE-O 3.39Å; R402-A493 PolarHBondContact NH2-O 3.16Å; R402-Y494 HydrophobicContact CB-CD2 4.12Å; R402-Y494 HydrophobicContact CB-CE2 4.18Å; R402-Y494 HydrophobicContact CG-CD2 4Å; R402-Y494 HydrophobicContact CG-CE2 4.49Å
403	F	89	Confident	88.2	Confident	32 Å²	32	55 Å²	55	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.6	-177.2	-55.8	-67.7	0	0	0	110.8	D265 V410 E411 K412 H451 P455 Y494	D265-F403 WeakPolarHBondContact OD2-CD2 3.34Å; F403-V410 HydrophobicContact CB-CG1 3.94Å; F403-V410 HydrophobicContact CD1-CG1 4.25Å; F403-V410 HydrophobicContact CG-CG1 4.49Å; F403-E411 WeakPolarHBondContact CA-O 3.48Å; F403-K412 HydrophobicContact CD1-CB 4.21Å; F403-K412 HydrophobicContact CD1-CG 4.36Å; F403-K412 HydrophobicContact CE1-CB 4.07Å; F403-K412 HydrophobicContact CE1-CD 4.21Å; F403-K412 HydrophobicContact CE1-CG 3.94Å; F403-H451 HydrophobicContact CZ-CB 4.48Å; F403-H451 AromaticContact CZ-CD2 3.73Å; F403-H451 AromaticContact CZ-CE1 3.68Å; F403-H451 AromaticContact CZ-CG 3.71Å; F403-H451 AromaticContact CZ-ND1 3.69Å; F403-H451 AromaticContact CZ-NE2 3.66Å; F403-P455 HydrophobicContact CD1-CB 3.95Å; F403-P455 HydrophobicContact CD1-CG 3.88Å; F403-P455 HydrophobicContact CE1-CB 3.92Å; F403-P455 HydrophobicContact CE1-CG 3.89Å; F403-Y494 AromaticContact CD2-CE2 3.91Å; F403-Y494 HydrophobicContact CD2-CE2 3.91Å; F403-Y494 AromaticContact CD2-CZ 3.79Å; F403-Y494 WeakPolarHBondContact CD2-OH 3.25Å; F403-Y494 HydrophobicContact CE2-CD2 4.46Å; F403-Y494 HydrophobicContact CE2-CE1 4.13Å; F403-Y494 AromaticContact CE2-CE2 3.79Å; F403-Y494 HydrophobicContact CE2-CE2 3.79Å; F403-Y494 AromaticContact CE2-CZ 3.6Å
404	T	84.7	Confident	88.1	Confident	52 Å²	52	57.4 Å²	57.4	32%	0.319	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.5	171.9	43.2	0	0	0	0	108.7	N406 V410 E411	T404-N406 PolarHBondContact O-N 3.45Å; T404-V410 WeakPolarHBondContact O-CA 3.46Å; T404-E411 PolarHBondContact N-O 3.4Å; T404-E411 PolarHBondContact O-N 3.26Å; T404-E411 WeakPolarHBondContact OG1-CG 3.08Å; T404-E411 PolarHBondContact OG1-OE1 3.42Å
405	K	81.3	Confident	87.9	Confident	181 Å²	181	55.1 Å²	55.1	79%	0.787	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.8	174.3	-172.4	173.8	-179.5	-178.4	0	108	V410	K405-V410 HydrophobicContact CB-CG2 4.31Å; K405-V410 HydrophobicContact CG-CG2 4.22Å
406	N	79.1	Confident	87.6	Confident	72 Å²	72	55.2 Å²	55.2	39%	0.385	27%	0.269	S	S	.	.			trans	-82.9	178.2	168.1	-159.5	-9.3	0	0	0	109.2	T404 F408 F409	T404-N406 PolarHBondContact O-N 3.45Å; N406-F408 PolarHBondContact O-N 2.93Å; N406-F409 PolarHBondContact N-O 2.97Å
407	N	79.6	Confident	87.4	Confident	149 Å²	149	55.2 Å²	55.2	80%	0.797	27%	0.269	S	S	*	.	S	Bend	trans	-58.1	-24.7	-178.2	-70.8	-15.2	0	0	0	113.5
408	F	77.9	Confident	87.1	Confident	182 Å²	182	59.3 Å²	59.3	80%	0.798	29%	0.291	S	S	*	.	S	Bend	trans	-113.3	-41.5	-172	-59.4	-77.5	0	0	0	114.3	N406	N406-F408 PolarHBondContact O-N 2.93Å
409	F	82.5	Confident	86.9	Confident	126 Å²	126	59.3 Å²	59.3	55%	0.553	29%	0.291	S	S	*	.	S	Bend	trans	-150.1	167.4	-175.9	54.9	-91.6	0	0	0	111	N406 E411	N406-F409 PolarHBondContact N-O 2.97Å; F409-E411 HydrophobicContact CD2-CB 4.3Å; F409-E411 HydrophobicContact CE2-CB 3.99Å
410	V	85.4	Confident	86.7	Confident	65 Å²	65	61.6 Å²	61.6	39%	0.394	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.9	169.4	-179.6	0	0	0	0	107.7	F403 T404 K405 P455	F403-V410 HydrophobicContact CB-CG1 3.94Å; F403-V410 HydrophobicContact CD1-CG1 4.25Å; F403-V410 HydrophobicContact CG-CG1 4.49Å; T404-V410 WeakPolarHBondContact O-CA 3.46Å; K405-V410 HydrophobicContact CB-CG2 4.31Å; K405-V410 HydrophobicContact CG-CG2 4.22Å; V410-P455 HydrophobicContact CB-CB 4.32Å; V410-P455 HydrophobicContact CG1-CB 4Å; V410-P455 HydrophobicContact CG1-CG 4.23Å
411	E	85.8	Confident	86.4	Confident	78 Å²	78	63.3 Å²	63.3	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.3	174.6	71	-166.1	168.8	0	0	109.7	F403 T404 F409	F403-E411 WeakPolarHBondContact CA-O 3.48Å; T404-E411 PolarHBondContact N-O 3.4Å; T404-E411 PolarHBondContact O-N 3.26Å; T404-E411 WeakPolarHBondContact OG1-CG 3.08Å; T404-E411 PolarHBondContact OG1-OE1 3.42Å; F409-E411 HydrophobicContact CD2-CB 4.3Å; F409-E411 HydrophobicContact CE2-CB 3.99Å
412	K	88.3	Confident	86.3	Confident	35 Å²	35	62.5 Å²	62.5	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.4	172.6	-176.8	-176.8	176.7	-166.9	0	108.2	R402 F403 P414 H451 G453 P455 E492	R402-K412 HydrophobicContact CB-CG 4.45Å; R402-K412 CarbonylContact O-C 3.57Å; R402-K412 WeakPolarHBondContact O-CA 3.39Å; F403-K412 HydrophobicContact CD1-CB 4.21Å; F403-K412 HydrophobicContact CD1-CG 4.36Å; F403-K412 HydrophobicContact CE1-CB 4.07Å; F403-K412 HydrophobicContact CE1-CD 4.21Å; F403-K412 HydrophobicContact CE1-CG 3.94Å; K412-P414 VanDerWaalsContact O-CD 3.29Å; K412-P414 WeakPolarHBondContact O-CD 3.23Å; K412-H451 WeakPolarHBondContact CE-ND1 3.31Å; K412-H451 WeakPolarHBondContact CE-O 3.49Å; K412-H451 PolarHBondContact NZ-ND1 3.13Å; K412-H451 PolarHBondContact NZ-O 3.3Å; K412-G453 VanDerWaalsContact CD-O 3.23Å; K412-G453 WeakPolarHBondContact CD-O 3.44Å; K412-G453 PolarHBondContact NZ-O 2.7Å; K412-P455 HydrophobicContact CB-CG 3.9Å; K412-E492 WeakPolarHBondContact CE-OE1 3.27Å; K412-E492 WeakPolarHBondContact CE-OE2 3.23Å; K412-E492 IonicContact NZ-OE1 3.75Å; K412-E492 PolarHBondContact NZ-OE1 3.09Å; K412-E492 IonicContact NZ-OE2 2.72Å; K412-E492 PolarHBondContact NZ-OE2 2.64Å
413	N	87.3	Confident	86.3	Confident	16 Å²	16	67.1 Å²	67.1	9%	0.086	34%	0.343	C	S	.	.			trans	-78.9	113.6	170.2	-167.8	-30.7	0	0	0	109.9	L341 P342 R402 T415	L341-N413 WeakPolarHBondContact CB-ND2 3.16Å; L341-N413 HydrophobicContact CD1-CB 4.1Å; P342-N413 PolarHBondContact O-ND2 3.44Å; R402-N413 PolarHBondContact NH1-O 3.06Å; R402-N413 PolarHBondContact O-N 2.89Å; N413-T415 PolarHBondContact O-N 3.44Å; N413-T415 WeakPolarHBondContact OD1-CB 3.23Å; N413-T415 PolarHBondContact OD1-N 3.27Å; N413-T415 PolarHBondContact OD1-OG1 3.2Å
414	P	87.7	Confident	86.2	Confident	50 Å²	50	65.7 Å²	65.7	33%	0.325	34%	0.337	S	S	.	.			trans	-83	6.8	-176.9	36.3	-36.3	0	0	0	113.4	I356 K412 I416 E492	I356-P414 WeakPolarHBondContact CG2-O 3.41Å; K412-P414 VanDerWaalsContact O-CD 3.29Å; K412-P414 WeakPolarHBondContact O-CD 3.23Å; P414-I416 PolarHBondContact O-N 3.34Å; P414-E492 WeakPolarHBondContact CA-OE1 3.4Å
415	T	88.6	Confident	86.4	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.012	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60.7	124.5	-176.9	-57.8	0	0	0	0	111.6	L341 P357 V359 R402 N413	L341-T415 HydrophobicContact CD2-CG2 4.35Å; P357-T415 HydrophobicContact CB-CG2 4.27Å; P357-T415 HydrophobicContact CG-CG2 4.47Å; P357-T415 WeakPolarHBondContact CG-OG1 3.4Å; P357-T415 CarbonylContact O-C 3.35Å; P357-T415 VanDerWaalsContact O-CA 3.27Å; P357-T415 WeakPolarHBondContact O-CA 3.46Å; P357-T415 WeakPolarHBondContact O-CG2 2.97Å; V359-T415 HydrophobicContact CB-CG2 3.96Å; V359-T415 HydrophobicContact CG2-CG2 3.48Å; V359-T415 VanDerWaalsContact CG2-CG2 3.48Å; R402-T415 PolarHBondContact NH1-O 3.28Å; R402-T415 PolarHBondContact NH2-O 2.95Å; N413-T415 PolarHBondContact O-N 3.44Å; N413-T415 WeakPolarHBondContact OD1-CB 3.23Å; N413-T415 PolarHBondContact OD1-N 3.27Å; N413-T415 PolarHBondContact OD1-OG1 3.2Å
416	I	89.3	Confident	86.6	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.9	174.3	-61.4	-61.1	0	0	0	108.7	I356 P357 Q358 V359 P414 T489 L490 E492	I356-I416 HydrophobicContact CG2-CB 4.49Å; I356-I416 HydrophobicContact CG2-CD1 4.35Å; I356-I416 HydrophobicContact CG2-CG1 3.48Å; I356-I416 VanDerWaalsContact CG2-CG1 3.48Å; P357-I416 PolarHBondContact O-N 2.99Å; Q358-I416 CarbonylContact C-O 3.53Å; Q358-I416 VanDerWaalsContact CA-O 3.31Å; Q358-I416 WeakPolarHBondContact CA-O 3.41Å; Q358-I416 HydrophobicContact CG-CB 4.39Å; V359-I416 PolarHBondContact N-O 2.79Å; P414-I416 PolarHBondContact O-N 3.34Å; I416-T489 WeakPolarHBondContact CG2-O 3.36Å; I416-L490 WeakPolarHBondContact CD1-O 3.46Å; I416-E492 HydrophobicContact CD1-CB 4.37Å; I416-E492 HydrophobicContact CD1-CG 3.59Å
417	V	90.2	Very high	86.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.7	176.1	-175.9	0	0	0	0	107.5	L341 V359 L361 I364 I400 F419	L341-V417 HydrophobicContact CD2-CG2 3.59Å; V359-V417 CarbonylContact O-C 3.56Å; V359-V417 VanDerWaalsContact O-CA 3.26Å; V359-V417 WeakPolarHBondContact O-CA 3.15Å; L361-V417 HydrophobicContact CB-CG1 4.04Å; L361-V417 HydrophobicContact CD1-CG1 4.23Å; I364-V417 HydrophobicContact CD1-CG1 3.7Å; I364-V417 HydrophobicContact CD1-CG2 4.03Å; I400-V417 HydrophobicContact CD1-CB 4.47Å; I400-V417 HydrophobicContact CD1-CG2 4.03Å; I400-V417 HydrophobicContact CG2-CG2 4.3Å; V417-F419 HydrophobicContact CB-CD1 4.1Å; V417-F419 HydrophobicContact CB-CE1 4.47Å; V417-F419 HydrophobicContact CG1-CD1 4.01Å; V417-F419 WeakPolarHBondContact O-CD1 3.23Å; V417-F419 WeakPolarHBondContact O-CE1 3.09Å
418	N	89.7	Confident	87.1	Confident	86 Å²	86	56.1 Å²	56.1	46%	0.46	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.7	172.4	-172.4	6.7	0	0	0	109.1	V359 P360 L361	V359-N418 PolarHBondContact O-N 2.9Å; P360-N418 CarbonylContact C-O 3.57Å; P360-N418 WeakPolarHBondContact CA-O 3.13Å; L361-N418 PolarHBondContact N-O 3.07Å
419	F	90.8	Very high	87.4	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.254	C	S	.	.			trans	-131.2	138.9	-179.7	47.9	-90.3	0	0	0	110.5	L361 V417 I421 L445 I488 T489 A493 Q496 W498	L361-F419 HydrophobicContact CB-CB 3.84Å; L361-F419 HydrophobicContact CD2-CB 3.67Å; L361-F419 HydrophobicContact CG-CB 4.28Å; V417-F419 HydrophobicContact CB-CD1 4.1Å; V417-F419 HydrophobicContact CB-CE1 4.47Å; V417-F419 HydrophobicContact CG1-CD1 4.01Å; V417-F419 WeakPolarHBondContact O-CD1 3.23Å; V417-F419 WeakPolarHBondContact O-CE1 3.09Å; F419-I421 HydrophobicContact CE2-CG2 4.48Å; F419-L445 HydrophobicContact CD2-CD2 4.23Å; F419-L445 HydrophobicContact CE2-CD2 3.7Å; F419-I488 HydrophobicContact CE2-CG2 4.14Å; F419-I488 HydrophobicContact CZ-CG2 4.27Å; F419-T489 HydrophobicContact CD2-CG2 4.07Å; F419-T489 HydrophobicContact CE2-CG2 3.92Å; F419-T489 HydrophobicContact CZ-CG2 4.32Å; F419-T489 WeakPolarHBondContact O-CG2 3.34Å; F419-A493 HydrophobicContact CE1-CB 3.78Å; F419-A493 HydrophobicContact CZ-CB 4.15Å; F419-Q496 VanDerWaalsContact CD1-NE2 3.33Å; F419-W498 HydrophobicContact CB-CH2 4.26Å; F419-W498 HydrophobicContact CB-CZ2 4.39Å; F419-W498 HydrophobicContact CD2-CH2 4.2Å; F419-W498 HydrophobicContact CD2-CZ2 4.32Å
420	P	90.4	Very high	87.5	Confident	51 Å²	51	42.4 Å²	42.4	33%	0.331	23%	0.229	S	C	.	.			trans	-72.3	134.8	167.6	29.6	-28.4	0	0	0	108.9	F362 T422 V424 W498	F362-P420 HydrophobicContact CE2-CG 4.3Å; F362-P420 HydrophobicContact CZ-CG 4.16Å; P420-T422 VanDerWaalsContact C-N 3.26Å; P420-T422 PolarHBondContact O-N 2.87Å; P420-V424 HydrophobicContact CG-CG2 3.64Å; P420-W498 WeakPolarHBondContact O-CH2 3.49Å; P420-W498 WeakPolarHBondContact O-CZ3 3.21Å
421	I	88.2	Confident	87.2	Confident	35 Å²	35	40.1 Å²	40.1	18%	0.179	22%	0.216	C	C	.	.	S	Bend	trans	-72.1	-18.4	-177.8	54.3	172.3	0	0	0	113.8	F419 L445 P485 T489	F419-I421 HydrophobicContact CE2-CG2 4.48Å; I421-L445 HydrophobicContact CG2-CD2 4.23Å; I421-L445 VanDerWaalsContact O-CB 3.29Å; I421-L445 WeakPolarHBondContact O-CB 3.41Å; I421-L445 PolarHBondContact O-N 3.04Å; I421-P485 HydrophobicContact CD1-CB 3.29Å; I421-P485 HydrophobicContact CD1-CG 4.39Å; I421-T489 HydrophobicContact CG2-CG2 4.18Å
422	T	88.3	Confident	86.9	Confident	85 Å²	85	44.4 Å²	44.4	52%	0.521	24%	0.235	S	C	.	.	S	Bend	trans	-137.9	150.5	-176.5	51.5	0	0	0	0	110.2	P420 D444	P420-T422 VanDerWaalsContact C-N 3.26Å; P420-T422 PolarHBondContact O-N 2.87Å; T422-D444 VanDerWaalsContact CA-OD1 3.24Å; T422-D444 WeakPolarHBondContact CA-OD1 3.16Å; T422-D444 WeakPolarHBondContact CB-OD1 3.42Å
423	N	87.8	Confident	86.3	Confident	98 Å²	98	48.5 Å²	48.5	52%	0.524	26%	0.255	S	S	.	.			trans	56.3	47.7	174.5	-162.1	31.2	0	0	0	114.2	D425 S442 Y443 D444	N423-D425 PolarHBondContact O-N 2.58Å; N423-S442 VanDerWaalsContact OD1-CB 3.3Å; N423-S442 WeakPolarHBondContact OD1-CB 3.46Å; N423-S442 PolarHBondContact OD1-OG 3.23Å; N423-Y443 PolarHBondContact N-O 3.43Å; N423-Y443 VanDerWaalsContact N-O 3.12Å; N423-D444 PolarHBondContact N-OD1 3.48Å
424	V	88.2	Confident	85.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	110	164.9	173.7	0	0	0	0	108	L361 F362 P420 L426 S442 Y443 W498	L361-V424 HydrophobicContact CD2-CG2 4.3Å; F362-V424 HydrophobicContact CE1-CG1 4.33Å; P420-V424 HydrophobicContact CG-CG2 3.64Å; V424-L426 HydrophobicContact CG1-CD2 3.82Å; V424-L426 HydrophobicContact CG1-CG 4.29Å; V424-S442 CarbonylContact O-C 3.48Å; V424-S442 WeakPolarHBondContact O-CA 3.23Å; V424-Y443 PolarHBondContact N-O 2.95Å; V424-Y443 PolarHBondContact O-N 3.08Å; V424-W498 HydrophobicContact CB-CE3 4.44Å; V424-W498 HydrophobicContact CB-CZ3 4.07Å; V424-W498 HydrophobicContact CG2-CE3 4.18Å; V424-W498 HydrophobicContact CG2-CH2 3.64Å; V424-W498 HydrophobicContact CG2-CZ3 3.36Å
425	D	87.8	Confident	85.3	Confident	65 Å²	65	49.8 Å²	49.8	35%	0.348	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.5	172.1	-171	17.4	0	0	0	110.5	N423 S427 T441	N423-D425 PolarHBondContact O-N 2.58Å; D425-S427 VanDerWaalsContact CG-OG 3.25Å; D425-S427 WeakPolarHBondContact OD1-CB 3.01Å; D425-S427 PolarHBondContact OD1-N 3.39Å; D425-S427 PolarHBondContact OD1-OG 3.09Å; D425-S427 WeakPolarHBondContact OD2-CB 3.22Å; D425-S427 PolarHBondContact OD2-OG 2.86Å; D425-T441 VanDerWaalsContact OD1-CB 3.29Å; D425-T441 WeakPolarHBondContact OD1-CB 3.35Å; D425-T441 PolarHBondContact OD1-OG1 3.09Å
426	L	86.6	Confident	84.5	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.292	C	S	.	.			trans	-108.8	5.6	177.2	-61.1	178.5	0	0	0	112.9	L365 L392 L396 F398 V424 E428 Y429 L430 T441 Y443	L365-L426 HydrophobicContact CD1-CD2 3.77Å; L392-L426 HydrophobicContact CD1-CB 4.17Å; L392-L426 HydrophobicContact CD2-CD1 4.29Å; L396-L426 HydrophobicContact CD2-CD1 3.32Å; F398-L426 HydrophobicContact CZ-CD1 4.49Å; V424-L426 HydrophobicContact CG1-CD2 3.82Å; V424-L426 HydrophobicContact CG1-CG 4.29Å; L426-E428 VanDerWaalsContact C-N 3.27Å; L426-E428 PolarHBondContact O-N 3.01Å; L426-Y429 HydrophobicContact CB-CD2 4.17Å; L426-Y429 HydrophobicContact CD2-CD2 3.72Å; L426-Y429 HydrophobicContact CD2-CE2 3.86Å; L426-Y429 PolarHBondContact O-N 3.11Å; L426-L430 WeakPolarHBondContact O-CD1 3.07Å; L426-T441 PolarHBondContact N-O 2.91Å; L426-T441 VanDerWaalsContact N-O 3.09Å; L426-Y443 HydrophobicContact CD1-CD2 3.68Å; L426-Y443 HydrophobicContact CD1-CE2 3.82Å; L426-Y443 HydrophobicContact CD1-CG 4.34Å; L426-Y443 HydrophobicContact CG-CD2 4.14Å
427	S	83.9	Confident	83.8	Confident	30 Å²	30	58.4 Å²	58.4	21%	0.21	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-50.2	-43.9	-177.7	62.9	0	0	0	0	113.2	D425 Y429 L430 Q435	D425-S427 VanDerWaalsContact CG-OG 3.25Å; D425-S427 WeakPolarHBondContact OD1-CB 3.01Å; D425-S427 PolarHBondContact OD1-N 3.39Å; D425-S427 PolarHBondContact OD1-OG 3.09Å; D425-S427 WeakPolarHBondContact OD2-CB 3.22Å; D425-S427 PolarHBondContact OD2-OG 2.86Å; S427-Y429 PolarHBondContact O-N 3.4Å; S427-Y429 VanDerWaalsContact O-N 3.15Å; S427-L430 WeakPolarHBondContact O-CB 3.37Å; S427-L430 PolarHBondContact O-N 3.25Å; S427-L430 VanDerWaalsContact O-N 3.08Å; S427-Q435 WeakPolarHBondContact O-CG 3.43Å; S427-Q435 PolarHBondContact O-NE2 2.78Å
428	E	84.3	Confident	83	Confident	157 Å²	157	60.3 Å²	60.3	73%	0.734	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-65.1	-18.2	-178.6	-61.1	-174.1	174.8	0	0	113.9	L426	L426-E428 VanDerWaalsContact C-N 3.27Å; L426-E428 PolarHBondContact O-N 3.01Å
429	Y	84.8	Confident	82.1	Confident	15 Å²	15	65.4 Å²	65.4	6%	0.059	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-93.7	-2.5	178.3	-51.8	-66.1	0	0	0	113	F362 L365 N369 Q388 L389 L426 S427	F362-Y429 WeakPolarHBondContact CA-OH 3.41Å; F362-Y429 PolarHBondContact O-OH 3.18Å; L365-Y429 HydrophobicContact CB-CE1 3.98Å; L365-Y429 HydrophobicContact CB-CE2 3.93Å; L365-Y429 HydrophobicContact CD1-CE2 4.01Å; N369-Y429 HydrophobicContact CB-CD1 3.96Å; N369-Y429 HydrophobicContact CB-CE1 4.48Å; Q388-Y429 VanDerWaalsContact NE2-C 3.35Å; Q388-Y429 PolarHBondContact NE2-O 2.78Å; L389-Y429 WeakPolarHBondContact CB-O 3.12Å; L389-Y429 PolarHBondContact N-O 3.21Å; L426-Y429 HydrophobicContact CB-CD2 4.17Å; L426-Y429 HydrophobicContact CD2-CD2 3.72Å; L426-Y429 HydrophobicContact CD2-CE2 3.86Å; L426-Y429 PolarHBondContact O-N 3.11Å; S427-Y429 PolarHBondContact O-N 3.4Å; S427-Y429 VanDerWaalsContact O-N 3.15Å
430	L	84.1	Confident	81.6	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.026	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-90.2	154.4	179.3	-86.8	72.8	0	0	0	111.1	Q388 L389 L392 L426 S427 A434 Q435 E438 T441	Q388-L430 PolarHBondContact NE2-O 2.67Å; L389-L430 HydrophobicContact CB-CD1 4.49Å; L389-L430 WeakPolarHBondContact O-CA 3.43Å; L392-L430 HydrophobicContact CD1-CD1 3.48Å; L392-L430 VanDerWaalsContact CD1-CD1 3.48Å; L392-L430 HydrophobicContact CD1-CD2 4.05Å; L392-L430 HydrophobicContact CD1-CG 4.33Å; L392-L430 HydrophobicContact CD2-CD1 4.17Å; L392-L430 HydrophobicContact CG-CD1 3.77Å; L392-L430 HydrophobicContact CG-CD2 4.22Å; L392-L430 HydrophobicContact CG-CG 4.35Å; L426-L430 WeakPolarHBondContact O-CD1 3.07Å; S427-L430 WeakPolarHBondContact O-CB 3.37Å; S427-L430 PolarHBondContact O-N 3.25Å; S427-L430 VanDerWaalsContact O-N 3.08Å; L430-A434 HydrophobicContact CB-CB 4.18Å; L430-A434 HydrophobicContact CD2-CB 3.92Å; L430-A434 HydrophobicContact CG-CB 4.27Å; L430-Q435 HydrophobicContact CB-CG 3.75Å; L430-Q435 PolarHBondContact O-NE2 3.35Å; L430-E438 HydrophobicContact CD2-CB 4.13Å; L430-E438 HydrophobicContact CD2-CG 4.23Å; L430-T441 HydrophobicContact CD2-CG2 4.15Å
431	T	80.1	Confident	81.3	Confident	17 Å²	17	65.8 Å²	65.8	10%	0.104	35%	0.347	C	S	.	.			trans	-62.1	150.1	164.7	51.9	0	0	0	0	110.7	Q388 L389 T390 E433 A434 Q435	Q388-T431 HydrophobicContact CG-CG2 3.45Å; Q388-T431 VanDerWaalsContact CG-CG2 3.45Å; L389-T431 PolarHBondContact O-N 2.85Å; L389-T431 VanDerWaalsContact O-N 3.09Å; T390-T431 HydrophobicContact CG2-CG2 4.09Å; T431-E433 PolarHBondContact O-N 2.86Å; T431-A434 CarbonylContact O-C 3.57Å; T431-A434 WeakPolarHBondContact O-CA 3.31Å; T431-A434 WeakPolarHBondContact O-CB 3.48Å; T431-A434 PolarHBondContact O-N 3.17Å; T431-A434 WeakPolarHBondContact OG1-CB 3.29Å; T431-A434 PolarHBondContact OG1-N 3.48Å; T431-Q435 WeakPolarHBondContact O-CG 3.36Å; T431-Q435 PolarHBondContact O-N 2.95Å
432	E	78.1	Confident	81.4	Confident	167 Å²	167	65.3 Å²	65.3	78%	0.78	35%	0.347	S	S	*	.	H	α-helix	trans	-53.1	-38.8	175.1	-65.1	-179.3	173.1	0	0	112.1	A434 Q435 A436	E432-A434 VanDerWaalsContact C-N 3.33Å; E432-A434 PolarHBondContact O-N 2.96Å; E432-Q435 PolarHBondContact O-N 2.8Å; E432-A436 PolarHBondContact O-N 2.99Å
433	E	77.1	Confident	81.7	Confident	121 Å²	121	61.3 Å²	61.3	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-58.7	-41.7	173.6	-60.6	171.3	168	0	0	112.7	R300 T431 T437	R300-E433 IonicContact CZ-OE2 2.57Å; R300-E433 IonicContact NH1-OE2 3.34Å; R300-E433 PolarHBondContact NH1-OE2 2.86Å; R300-E433 IonicContact NH2-OE2 3.64Å; R300-E433 PolarHBondContact NH2-OE2 3.04Å; T431-E433 PolarHBondContact O-N 2.86Å; E433-T437 PolarHBondContact O-N 3.19Å; E433-T437 PolarHBondContact O-OG1 3.24Å
434	A	76.1	Confident	82	Confident	8 Å²	8	58.5 Å²	58.5	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-79.5	-34.2	-177.6	0	0	0	0	0	111.6	T390 L430 T431 E432 A436 T437 E438	T390-A434 WeakPolarHBondContact O-CB 3.49Å; L430-A434 HydrophobicContact CB-CB 4.18Å; L430-A434 HydrophobicContact CD2-CB 3.92Å; L430-A434 HydrophobicContact CG-CB 4.27Å; T431-A434 CarbonylContact O-C 3.57Å; T431-A434 WeakPolarHBondContact O-CA 3.31Å; T431-A434 WeakPolarHBondContact O-CB 3.48Å; T431-A434 PolarHBondContact O-N 3.17Å; T431-A434 WeakPolarHBondContact OG1-CB 3.29Å; T431-A434 PolarHBondContact OG1-N 3.48Å; E432-A434 VanDerWaalsContact C-N 3.33Å; E432-A434 PolarHBondContact O-N 2.96Å; A434-A436 VanDerWaalsContact C-N 3.27Å; A434-A436 PolarHBondContact O-N 3.08Å; A434-T437 PolarHBondContact O-N 3.09Å; A434-E438 WeakPolarHBondContact O-CB 3.46Å; A434-E438 PolarHBondContact O-N 2.79Å
435	Q	76.9	Confident	82.3	Confident	86 Å²	86	58.5 Å²	58.5	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-38.4	172.2	-70	174	-0.6	0	0	111.7	S427 L430 T431 E432 T437	S427-Q435 WeakPolarHBondContact O-CG 3.43Å; S427-Q435 PolarHBondContact O-NE2 2.78Å; L430-Q435 HydrophobicContact CB-CG 3.75Å; L430-Q435 PolarHBondContact O-NE2 3.35Å; T431-Q435 WeakPolarHBondContact O-CG 3.36Å; T431-Q435 PolarHBondContact O-N 2.95Å; E432-Q435 PolarHBondContact O-N 2.8Å; Q435-T437 VanDerWaalsContact C-N 3.27Å; Q435-T437 PolarHBondContact O-N 2.87Å
436	A	72.2	Confident	82.6	Confident	87 Å²	87	55.5 Å²	55.5	72%	0.719	29%	0.291	S	S	*	.	H	α-helix	trans	-69.1	-25.3	175.7	0	0	0	0	0	113.3	E432 A434	E432-A436 PolarHBondContact O-N 2.99Å; A434-A436 VanDerWaalsContact C-N 3.27Å; A434-A436 PolarHBondContact O-N 3.08Å
437	T	73.6	Confident	83	Confident	110 Å²	110	55.5 Å²	55.5	68%	0.675	29%	0.291	S	S	*	.	H	α-helix	trans	-95.1	-38.8	-174.6	-52.8	0	0	0	0	112.4	E433 A434 Q435 K439	E433-T437 PolarHBondContact O-N 3.19Å; E433-T437 PolarHBondContact O-OG1 3.24Å; A434-T437 PolarHBondContact O-N 3.09Å; Q435-T437 VanDerWaalsContact C-N 3.27Å; Q435-T437 PolarHBondContact O-N 2.87Å; T437-K439 PolarHBondContact O-N 3.03Å
438	E	73.1	Confident	83.6	Confident	39 Å²	39	54 Å²	54	18%	0.182	28%	0.281	C	S	.	.			trans	-92.5	99.1	-177.3	-71.2	-75.8	-177	0	0	110.5	L430 A434 N440 T441 R500	L430-E438 HydrophobicContact CD2-CB 4.13Å; L430-E438 HydrophobicContact CD2-CG 4.23Å; A434-E438 WeakPolarHBondContact O-CB 3.46Å; A434-E438 PolarHBondContact O-N 2.79Å; E438-N440 VanDerWaalsContact C-N 3.28Å; E438-N440 PolarHBondContact O-N 3.4Å; E438-T441 HydrophobicContact CB-CG2 4.26Å; E438-R500 IonicContact OE1-NH1 3.3Å; E438-R500 IonicContact OE2-CZ 3.73Å; E438-R500 IonicContact OE2-NH1 3.78Å; E438-R500 PolarHBondContact OE2-NH1 3.37Å
439	K	71	Confident	84.2	Confident	193 Å²	193	46.6 Å²	46.6	84%	0.839	25%	0.247	S	C	*	.	S	Bend	trans	-69.8	-23	179.5	-66.8	-178.6	177.9	-178.8	0	114.1	T437	T437-K439 PolarHBondContact O-N 3.03Å
440	N	80	Confident	84.7	Confident	43 Å²	43	45.9 Å²	45.9	23%	0.23	24%	0.244	C	C	.	.			trans	-123.6	109.9	-175.5	-61.2	-21.5	0	0	0	109.4	E438 R500 Q501 S503	E438-N440 VanDerWaalsContact C-N 3.28Å; E438-N440 PolarHBondContact O-N 3.4Å; N440-R500 VanDerWaalsContact O-CD 3.31Å; N440-R500 WeakPolarHBondContact O-CD 3.21Å; N440-Q501 WeakPolarHBondContact CB-O 3.08Å; N440-S503 PolarHBondContact ND2-N 3.35Å; N440-S503 PolarHBondContact ND2-OG 2.9Å; N440-S503 WeakPolarHBondContact OD1-CB 3.11Å
441	T	85.3	Confident	85.1	Confident	17 Å²	17	45.8 Å²	45.8	10%	0.104	24%	0.243	C	C	.	.			trans	-121.7	2.7	-179.3	50.7	0	0	0	0	113.1	L392 D425 L426 L430 E438 Y443	L392-T441 HydrophobicContact CD1-CG2 4.18Å; D425-T441 VanDerWaalsContact OD1-CB 3.29Å; D425-T441 WeakPolarHBondContact OD1-CB 3.35Å; D425-T441 PolarHBondContact OD1-OG1 3.09Å; L426-T441 PolarHBondContact N-O 2.91Å; L426-T441 VanDerWaalsContact N-O 3.09Å; L430-T441 HydrophobicContact CD2-CG2 4.15Å; E438-T441 HydrophobicContact CB-CG2 4.26Å; T441-Y443 VanDerWaalsContact O-CD2 3.27Å; T441-Y443 WeakPolarHBondContact O-CD2 3.42Å
442	S	90.9	Very high	85.6	Confident	26 Å²	26	46.8 Å²	46.8	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137	174.8	-65.1	0	0	0	0	112.1	N423 V424 Q501	N423-S442 VanDerWaalsContact OD1-CB 3.3Å; N423-S442 WeakPolarHBondContact OD1-CB 3.46Å; N423-S442 PolarHBondContact OD1-OG 3.23Å; V424-S442 CarbonylContact O-C 3.48Å; V424-S442 WeakPolarHBondContact O-CA 3.23Å; S442-Q501 PolarHBondContact O-N 3.45Å
443	Y	93.4	Very high	86	Confident	1 Å²	1	41 Å²	41	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143	-179.4	-78.1	-99.9	0	0	0	112.8	L392 P393 L396 N423 V424 L426 T441 W498 K499 R500	L392-Y443 WeakPolarHBondContact CB-OH 3.48Å; L392-Y443 HydrophobicContact CD1-CE2 3.94Å; P393-Y443 PolarHBondContact O-OH 3.1Å; L396-Y443 HydrophobicContact CB-CD1 4.12Å; L396-Y443 HydrophobicContact CB-CE1 3.71Å; N423-Y443 PolarHBondContact N-O 3.43Å; N423-Y443 VanDerWaalsContact N-O 3.12Å; V424-Y443 PolarHBondContact N-O 2.95Å; V424-Y443 PolarHBondContact O-N 3.08Å; L426-Y443 HydrophobicContact CD1-CD2 3.68Å; L426-Y443 HydrophobicContact CD1-CE2 3.82Å; L426-Y443 HydrophobicContact CD1-CG 4.34Å; L426-Y443 HydrophobicContact CG-CD2 4.14Å; T441-Y443 VanDerWaalsContact O-CD2 3.27Å; T441-Y443 WeakPolarHBondContact O-CD2 3.42Å; Y443-W498 HydrophobicContact CD1-CB 3.76Å; Y443-W498 HydrophobicContact CG-CB 4.3Å; Y443-K499 CarbonylContact C-O 3.53Å; Y443-K499 VanDerWaalsContact CA-O 3.3Å; Y443-K499 WeakPolarHBondContact CA-O 3.16Å; Y443-K499 VanDerWaalsContact CD1-C 3.48Å; Y443-R500 HydrophobicContact CD1-CB 4.17Å; Y443-R500 HydrophobicContact CE1-CB 3.63Å; Y443-R500 HydrophobicContact CE1-CG 4.29Å; Y443-R500 HydrophobicContact CE2-CB 4.3Å; Y443-R500 HydrophobicContact CE2-CG 4.06Å; Y443-R500 WeakPolarHBondContact OH-CD 3.49Å
444	D	93.9	Very high	86.4	Confident	39 Å²	39	42.2 Å²	42.2	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.3	171.9	-63	-35.4	0	0	0	110.8	T422 N423 V446 W498 K499 Q501	T422-D444 VanDerWaalsContact CA-OD1 3.24Å; T422-D444 WeakPolarHBondContact CA-OD1 3.16Å; T422-D444 WeakPolarHBondContact CB-OD1 3.42Å; N423-D444 PolarHBondContact N-OD1 3.48Å; D444-V446 PolarHBondContact O-N 3.28Å; D444-W498 CarbonylContact O-C 3.34Å; D444-W498 VanDerWaalsContact O-CA 3.28Å; D444-W498 WeakPolarHBondContact O-CA 3.35Å; D444-K499 PolarHBondContact N-O 3.49Å; D444-K499 PolarHBondContact O-N 3.42Å; D444-Q501 PolarHBondContact OD1-NE2 3.46Å; D444-Q501 WeakPolarHBondContact OD2-CG 3.17Å; D444-Q501 PolarHBondContact OD2-NE2 2.89Å
445	L	94.6	Very high	86.8	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.7	175.9	-171.8	71.2	0	0	0	109.3	F419 I421 A447 N448 W472 I488 Q496 W498	F419-L445 HydrophobicContact CD2-CD2 4.23Å; F419-L445 HydrophobicContact CE2-CD2 3.7Å; I421-L445 HydrophobicContact CG2-CD2 4.23Å; I421-L445 VanDerWaalsContact O-CB 3.29Å; I421-L445 WeakPolarHBondContact O-CB 3.41Å; I421-L445 PolarHBondContact O-N 3.04Å; L445-A447 WeakPolarHBondContact CD1-O 3.45Å; L445-N448 HydrophobicContact CD2-CB 4.2Å; L445-W472 HydrophobicContact CB-CH2 3.96Å; L445-W472 HydrophobicContact CB-CZ2 4.29Å; L445-W472 HydrophobicContact CD2-CH2 3.72Å; L445-W472 HydrophobicContact CD2-CZ2 4.34Å; L445-W472 HydrophobicContact CD2-CZ3 4.37Å; L445-W472 HydrophobicContact CG-CH2 3.67Å; L445-W472 HydrophobicContact CG-CZ2 4.43Å; L445-W472 HydrophobicContact CG-CZ3 4.5Å; L445-W472 VanDerWaalsContact O-CH2 3.23Å; L445-W472 WeakPolarHBondContact O-CH2 3.5Å; L445-W472 VanDerWaalsContact O-CZ2 3.3Å; L445-W472 WeakPolarHBondContact O-CZ2 3.49Å; L445-I488 HydrophobicContact CD2-CG2 4.1Å; L445-Q496 HydrophobicContact CD1-CB 3.81Å; L445-Q496 HydrophobicContact CD1-CG 4.09Å; L445-W498 HydrophobicContact CB-CD2 4.32Å; L445-W498 HydrophobicContact CB-CE3 3.95Å; L445-W498 HydrophobicContact CB-CH2 4.07Å; L445-W498 HydrophobicContact CB-CZ2 4.44Å; L445-W498 HydrophobicContact CB-CZ3 3.8Å; L445-W498 HydrophobicContact CD1-CD2 3.92Å; L445-W498 HydrophobicContact CD1-CE3 4.4Å; L445-W498 HydrophobicContact CD1-CG 4.41Å; L445-W498 HydrophobicContact CD1-CH2 4.2Å; L445-W498 HydrophobicContact CD1-CZ2 3.71Å
446	V	94.3	Very high	86.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-25.7	177.1	-64.5	0	0	0	0	113.3	N192 Y395 D444 L465 I497 K499	N192-V446 PolarHBondContact ND2-O 3.27Å; Y395-V446 HydrophobicContact CD1-CG2 4.42Å; Y395-V446 HydrophobicContact CE1-CG2 4.43Å; D444-V446 PolarHBondContact O-N 3.28Å; V446-L465 HydrophobicContact CG1-CD2 4.48Å; V446-L465 PolarHBondContact O-N 2.81Å; V446-I497 HydrophobicContact CG2-CB 3.96Å; V446-I497 HydrophobicContact CG2-CG2 3.74Å; V446-I497 WeakPolarHBondContact CG2-O 3.31Å; V446-I497 PolarHBondContact N-O 3.27Å; V446-K499 HydrophobicContact CG1-CB 3.53Å; V446-K499 HydrophobicContact CG1-CD 4.31Å; V446-K499 HydrophobicContact CG2-CB 4.49Å
447	A	95.5	Very high	87.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141	176.2	0	0	0	0	0	110.9	A189 L445 I462 H463 V464 Q496 I497	A189-A447 HydrophobicContact CB-CB 4.13Å; L445-A447 WeakPolarHBondContact CD1-O 3.45Å; A447-I462 HydrophobicContact CB-CD1 4.28Å; A447-H463 CarbonylContact C-O 3.54Å; A447-H463 VanDerWaalsContact CA-O 3.31Å; A447-H463 WeakPolarHBondContact CA-O 3.2Å; A447-V464 HydrophobicContact CB-CG1 4.5Å; A447-Q496 CarbonylContact O-C 3.59Å; A447-Q496 WeakPolarHBondContact O-CA 3.29Å; A447-I497 HydrophobicContact CB-CB 4.1Å; A447-I497 HydrophobicContact CB-CD1 4.39Å; A447-I497 HydrophobicContact CB-CG1 4.25Å; A447-I497 PolarHBondContact N-O 2.92Å; A447-I497 PolarHBondContact O-N 2.98Å
448	N	96.4	Very high	87.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	105.4	175.9	176.1	39.3	0	0	0	109.7	L445 I462 H463 I488 S491 A493 I495 Q496	L445-N448 HydrophobicContact CD2-CB 4.2Å; N448-I462 WeakPolarHBondContact O-CA 3.38Å; N448-H463 HydrophobicContact CB-CB 4.31Å; N448-H463 PolarHBondContact N-O 3.4Å; N448-H463 PolarHBondContact ND2-ND1 2.76Å; N448-H463 PolarHBondContact O-N 3.45Å; N448-I488 HydrophobicContact CB-CG2 4.14Å; N448-I488 WeakPolarHBondContact ND2-CG2 3.41Å; N448-S491 PolarHBondContact ND2-OG 3.07Å; N448-A493 WeakPolarHBondContact OD1-CB 3.46Å; N448-I495 CarbonylContact C-O 3.52Å; N448-I495 WeakPolarHBondContact CA-O 3.28Å; N448-Q496 HydrophobicContact CB-CG 4.5Å; N448-Q496 WeakPolarHBondContact OD1-CG 3.19Å
449	I	96.4	Very high	88.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.8	171.9	-60	173.1	0	0	0	108.3	A185 V186 A189 Y460 R461 I462 Y494 I495	A185-I449 HydrophobicContact CB-CD1 4.25Å; A185-I449 HydrophobicContact CB-CG1 4.2Å; A185-I449 HydrophobicContact CB-CG2 3.87Å; V186-I449 HydrophobicContact CB-CD1 4.47Å; V186-I449 HydrophobicContact CG2-CD1 3.86Å; A189-I449 HydrophobicContact CB-CD1 3.85Å; A189-I449 HydrophobicContact CB-CG1 4.2Å; I449-Y460 HydrophobicContact CG2-CD1 4.03Å; I449-R461 WeakPolarHBondContact CA-O 3.44Å; I449-I462 HydrophobicContact CG1-CB 4.3Å; I449-I462 HydrophobicContact CG1-CD1 3.89Å; I449-I462 HydrophobicContact CG1-CG1 3.95Å; I449-Y494 WeakPolarHBondContact O-CA 3.48Å; I449-Y494 WeakPolarHBondContact O-CB 3.47Å; I449-Y494 PolarHBondContact O-N 3.28Å; I449-I495 HydrophobicContact CB-CB 4.04Å; I449-I495 HydrophobicContact CD1-CB 4.03Å; I449-I495 HydrophobicContact CD1-CD1 4.05Å; I449-I495 HydrophobicContact CD1-CG2 4.32Å; I449-I495 HydrophobicContact CG1-CB 4.38Å; I449-I495 PolarHBondContact N-O 3.23Å; I449-I495 PolarHBondContact O-N 3.36Å
450	V	94.9	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.2	178.5	179.5	0	0	0	0	108.6	Y460 R461 H463 S491 E492	V450-Y460 WeakPolarHBondContact O-CA 3.25Å; V450-R461 HydrophobicContact CB-CG 3.98Å; V450-R461 HydrophobicContact CG1-CG 4.49Å; V450-R461 PolarHBondContact N-O 3.36Å; V450-R461 PolarHBondContact O-N 2.85Å; V450-H463 VanDerWaalsContact CG2-CE1 3.48Å; V450-H463 WeakPolarHBondContact CG2-CE1 3.35Å; V450-S491 VanDerWaalsContact CG2-OG 3.25Å; V450-S491 WeakPolarHBondContact CG2-OG 3.26Å; V450-E492 HydrophobicContact CG1-CB 4.43Å
451	H	93.6	Very high	90.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116	169.2	172.5	-74.9	0	0	0	108.7	F403 K412 G453 Y460 Y494	F403-H451 HydrophobicContact CZ-CB 4.48Å; F403-H451 AromaticContact CZ-CD2 3.73Å; F403-H451 AromaticContact CZ-CE1 3.68Å; F403-H451 AromaticContact CZ-CG 3.71Å; F403-H451 AromaticContact CZ-ND1 3.69Å; F403-H451 AromaticContact CZ-NE2 3.66Å; K412-H451 WeakPolarHBondContact CE-ND1 3.31Å; K412-H451 WeakPolarHBondContact CE-O 3.49Å; K412-H451 PolarHBondContact NZ-ND1 3.13Å; K412-H451 PolarHBondContact NZ-O 3.3Å; H451-G453 PolarHBondContact CE1-O 3.49Å; H451-Y460 HydrophobicContact CB-CD1 4.1Å; H451-Y460 HydrophobicContact CB-CE1 3.91Å; H451-Y460 AromaticContact CD2-CE1 3.73Å; H451-Y460 AromaticContact CD2-CE2 3.75Å; H451-Y460 AromaticContact CD2-CZ 3.48Å; H451-Y460 VanDerWaalsContact CD2-CZ 3.48Å; H451-Y494 HydrophobicContact CB-CG 4.49Å
452	D	89.6	Confident	91	Very high	39 Å²	39	34 Å²	34	21%	0.209	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	148.3	175.3	-56.1	-73.8	0	0	0	110.6	G458 S459 R461	D452-G458 CarbonylContact O-C 3.38Å; D452-G458 WeakPolarHBondContact O-CA 3.28Å; D452-S459 PolarHBondContact N-O 2.85Å; D452-S459 PolarHBondContact O-N 2.98Å; D452-R461 IonicContact OD1-CZ 2.74Å; D452-R461 IonicContact OD1-NE 2.73Å; D452-R461 IonicContact OD1-NH2 2.66Å; D452-R461 PolarHBondContact OD1-NH2 2.87Å; D452-R461 WeakPolarHBondContact OD2-CD 3.1Å; D452-R461 WeakPolarHBondContact OD2-CG 3.45Å; D452-R461 IonicContact OD2-CZ 3.74Å; D452-R461 IonicContact OD2-NE 3.89Å; D452-R461 PolarHBondContact OD2-NE 2.62Å; D452-R461 IonicContact OD2-NH2 3.09Å
453	G	87.4	Confident	91.3	Very high	46 Å²	46	32.8 Å²	32.8	47%	0.474	18%	0.183	S	C	.	.	S	Bend	trans	85.7	-166	178	0	0	0	0	0	114.8	K412 H451	K412-G453 VanDerWaalsContact CD-O 3.23Å; K412-G453 WeakPolarHBondContact CD-O 3.44Å; K412-G453 PolarHBondContact NZ-O 2.7Å; H451-G453 PolarHBondContact CE1-O 3.49Å
454	K	85.8	Confident	91.3	Very high	145 Å²	145	32.8 Å²	32.8	63%	0.63	18%	0.183	S	C	*	.			trans	-80.6	156.9	-174.8	-66.1	178.8	-177.5	173.2	0	111.4	T456 E457 G458	K454-T456 PolarHBondContact O-N 3.34Å; K454-E457 PolarHBondContact O-N 3.44Å; K454-G458 VanDerWaalsContact O-CA 3.3Å; K454-G458 WeakPolarHBondContact O-CA 3.4Å; K454-G458 PolarHBondContact O-N 3.22Å
455	P	83.5	Confident	91.3	Very high	44 Å²	44	32.3 Å²	32.3	29%	0.286	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.2	178.2	-27.7	34.6	0	0	0	116.4	F403 V410 K412	F403-P455 HydrophobicContact CD1-CB 3.95Å; F403-P455 HydrophobicContact CD1-CG 3.88Å; F403-P455 HydrophobicContact CE1-CB 3.92Å; F403-P455 HydrophobicContact CE1-CG 3.89Å; V410-P455 HydrophobicContact CB-CB 4.32Å; V410-P455 HydrophobicContact CG1-CB 4Å; V410-P455 HydrophobicContact CG1-CG 4.23Å; K412-P455 HydrophobicContact CB-CG 3.9Å
456	T	78.8	Confident	91.1	Very high	116 Å²	116	32.6 Å²	32.6	71%	0.712	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-22.1	-175.1	52	0	0	0	0	114.2	K454	K454-T456 PolarHBondContact O-N 3.34Å
457	E	81.9	Confident	90.7	Very high	157 Å²	157	34.5 Å²	34.5	73%	0.734	19%	0.19	S	C	*	.	S	Bend	trans	-137.3	33.1	-171.7	-64.2	176.4	173.1	0	0	110	K454	K454-E457 PolarHBondContact O-N 3.44Å
458	G	84.7	Confident	90	Very high	9 Å²	9	35.8 Å²	35.8	9%	0.093	20%	0.203	C	C	.	.			trans	-81.7	166.5	-176.6	0	0	0	0	0	112	Q263 D452 K454	Q263-G458 PolarHBondContact NE2-O 3.38Å; Q263-G458 PolarHBondContact OE1-O 3.49Å; D452-G458 CarbonylContact O-C 3.38Å; D452-G458 WeakPolarHBondContact O-CA 3.28Å; K454-G458 VanDerWaalsContact O-CA 3.3Å; K454-G458 WeakPolarHBondContact O-CA 3.4Å; K454-G458 PolarHBondContact O-N 3.22Å
459	S	91.2	Very high	89.5	Confident	37 Å²	37	38.3 Å²	38.3	26%	0.259	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.3	171.4	57.6	0	0	0	0	110.5	D181 D452	D181-S459 VanDerWaalsContact OD2-CA 3.25Å; D181-S459 WeakPolarHBondContact OD2-CA 3.39Å; D452-S459 PolarHBondContact N-O 2.85Å; D452-S459 PolarHBondContact O-N 2.98Å
460	Y	93.4	Very high	89.1	Confident	8 Å²	8	40.7 Å²	40.7	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.9	174.5	-66.8	-93	0	0	0	111	D181 Q263 A266 I449 V450 H451 Y494	D181-Y460 PolarHBondContact OD2-N 2.95Å; Q263-Y460 HydrophobicContact CG-CE2 4.27Å; A266-Y460 HydrophobicContact CB-CD1 3.94Å; A266-Y460 HydrophobicContact CB-CE1 3.43Å; A266-Y460 VanDerWaalsContact CB-CE1 3.43Å; A266-Y460 PolarHBondContact N-OH 3.47Å; I449-Y460 HydrophobicContact CG2-CD1 4.03Å; V450-Y460 WeakPolarHBondContact O-CA 3.25Å; H451-Y460 HydrophobicContact CB-CD1 4.1Å; H451-Y460 HydrophobicContact CB-CE1 3.91Å; H451-Y460 AromaticContact CD2-CE1 3.73Å; H451-Y460 AromaticContact CD2-CE2 3.75Å; H451-Y460 AromaticContact CD2-CZ 3.48Å; H451-Y460 VanDerWaalsContact CD2-CZ 3.48Å; Y460-Y494 AromaticContact CE1-CD1 3.82Å; Y460-Y494 HydrophobicContact CE1-CD1 3.82Å; Y460-Y494 HydrophobicContact CE1-CE1 4Å
461	R	94.8	Very high	88.9	Confident	38 Å²	38	45.4 Å²	45.4	14%	0.143	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.2	166.8	62.4	177.3	166.3	124.9	0.9	109.6	I449 V450 D452 H463 E474 M475 Q476	I449-R461 WeakPolarHBondContact CA-O 3.44Å; V450-R461 HydrophobicContact CB-CG 3.98Å; V450-R461 HydrophobicContact CG1-CG 4.49Å; V450-R461 PolarHBondContact N-O 3.36Å; V450-R461 PolarHBondContact O-N 2.85Å; D452-R461 IonicContact OD1-CZ 2.74Å; D452-R461 IonicContact OD1-NE 2.73Å; D452-R461 IonicContact OD1-NH2 2.66Å; D452-R461 PolarHBondContact OD1-NH2 2.87Å; D452-R461 WeakPolarHBondContact OD2-CD 3.1Å; D452-R461 WeakPolarHBondContact OD2-CG 3.45Å; D452-R461 IonicContact OD2-CZ 3.74Å; D452-R461 IonicContact OD2-NE 3.89Å; D452-R461 PolarHBondContact OD2-NE 2.62Å; D452-R461 IonicContact OD2-NH2 3.09Å; R461-H463 PolarHBondContact NH1-NE2 2.88Å; R461-E474 IonicContact CZ-OE2 3.32Å; R461-E474 IonicContact NH1-OE2 3.8Å; R461-E474 PolarHBondContact NH1-OE2 3.43Å; R461-M475 WeakPolarHBondContact CA-O 3.44Å; R461-Q476 HydrophobicContact CB-CB 3.98Å; R461-Q476 HydrophobicContact CB-CG 4.22Å
462	I	96.3	Very high	89	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.7	179.9	-175.2	177.2	0	0	0	111.1	A185 Q188 A189 A447 N448 I449 V464 E474 M475	A185-I462 HydrophobicContact CB-CB 4.38Å; A185-I462 WeakPolarHBondContact O-CD1 3.25Å; Q188-I462 HydrophobicContact CB-CD1 4.02Å; Q188-I462 HydrophobicContact CB-CG2 3.99Å; A189-I462 VanDerWaalsContact CA-CD1 3.44Å; A189-I462 HydrophobicContact CB-CD1 3.52Å; A189-I462 VanDerWaalsContact N-CD1 3.28Å; A447-I462 HydrophobicContact CB-CD1 4.28Å; N448-I462 WeakPolarHBondContact O-CA 3.38Å; I449-I462 HydrophobicContact CG1-CB 4.3Å; I449-I462 HydrophobicContact CG1-CD1 3.89Å; I449-I462 HydrophobicContact CG1-CG1 3.95Å; I462-V464 HydrophobicContact CD1-CG1 3.56Å; I462-V464 HydrophobicContact CG1-CG1 3.79Å; I462-V464 HydrophobicContact CG2-CG1 4.5Å; I462-E474 CarbonylContact O-C 2.98Å; I462-E474 WeakPolarHBondContact O-CA 3.38Å; I462-M475 HydrophobicContact CG2-CB 3.91Å; I462-M475 HydrophobicContact CG2-CE 3.86Å; I462-M475 PolarHBondContact N-O 3.48Å; I462-M475 PolarHBondContact O-N 2.81Å
463	H	96	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.9	165.6	-45.3	122.3	0	0	0	108.9	A447 N448 V450 R461 W472 Y473 E474 I488 S491	A447-H463 CarbonylContact C-O 3.54Å; A447-H463 VanDerWaalsContact CA-O 3.31Å; A447-H463 WeakPolarHBondContact CA-O 3.2Å; N448-H463 HydrophobicContact CB-CB 4.31Å; N448-H463 PolarHBondContact N-O 3.4Å; N448-H463 PolarHBondContact ND2-ND1 2.76Å; N448-H463 PolarHBondContact O-N 3.45Å; V450-H463 VanDerWaalsContact CG2-CE1 3.48Å; V450-H463 WeakPolarHBondContact CG2-CE1 3.35Å; R461-H463 PolarHBondContact NH1-NE2 2.88Å; H463-W472 HydrophobicContact CB-CE3 4.11Å; H463-W472 HydrophobicContact CB-CZ3 4.33Å; H463-Y473 CarbonylContact C-O 3.47Å; H463-Y473 VanDerWaalsContact CA-O 3.29Å; H463-Y473 WeakPolarHBondContact CA-O 3.47Å; H463-E474 IonicContact CD2-OE2 3.61Å; H463-E474 IonicContact NE2-OE2 2.9Å; H463-E474 PolarHBondContact NE2-OE2 3.33Å; H463-I488 HydrophobicContact CB-CG1 4.46Å; H463-I488 HydrophobicContact CB-CG2 4.37Å; H463-S491 PolarHBondContact CE1-OG 2.83Å
464	V	94.8	Very high	89.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.6	179.1	-70.5	0	0	0	0	110.8	I171 N192 A447 I462 W472 Y473 M475	I171-V464 HydrophobicContact CD1-CB 4.39Å; I171-V464 HydrophobicContact CD1-CG2 3.59Å; N192-V464 HydrophobicContact CB-CG1 4.42Å; A447-V464 HydrophobicContact CB-CG1 4.5Å; I462-V464 HydrophobicContact CD1-CG1 3.56Å; I462-V464 HydrophobicContact CG1-CG1 3.79Å; I462-V464 HydrophobicContact CG2-CG1 4.5Å; V464-W472 WeakPolarHBondContact O-CA 3.38Å; V464-Y473 PolarHBondContact N-O 2.63Å; V464-Y473 PolarHBondContact O-N 3.36Å; V464-M475 HydrophobicContact CG1-CE 4.18Å; V464-M475 HydrophobicContact CG2-CE 3.89Å; V464-M475 HydrophobicContact CG2-CG 4.2Å; V464-M475 HydrophobicContact CG2-SD 3.94Å
465	L	93.9	Very high	90	Very high	30 Å²	30	38 Å²	38	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.8	172.8	176	65.8	0	0	0	109.7	N192 V446 H467 W472	N192-L465 PolarHBondContact ND2-O 3.17Å; N192-L465 PolarHBondContact OD1-O 3.08Å; V446-L465 HydrophobicContact CG1-CD2 4.48Å; V446-L465 PolarHBondContact O-N 2.81Å; L465-H467 PolarHBondContact O-N 3.38Å; L465-W472 HydrophobicContact CB-CD2 4.14Å; L465-W472 HydrophobicContact CB-CE3 4.15Å; L465-W472 HydrophobicContact CB-CH2 3.85Å; L465-W472 HydrophobicContact CB-CZ2 3.85Å; L465-W472 HydrophobicContact CB-CZ3 4.02Å; L465-W472 HydrophobicContact CD1-CD2 4.28Å; L465-W472 HydrophobicContact CD1-CG 4.41Å; L465-W472 HydrophobicContact CD1-CZ2 4.27Å; L465-W472 HydrophobicContact CD2-CZ2 4.46Å; L465-W472 HydrophobicContact CG-CZ2 4.42Å
466	H	91.1	Very high	90.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.2	169.7	-177.7	-93	0	0	0	110.4	I171 G468 T469 G470 K471 Y473	I171-H466 HydrophobicContact CD1-CB 4.17Å; I171-H466 HydrophobicContact CG1-CB 4.23Å; H466-G468 VanDerWaalsContact C-N 3.29Å; H466-G468 PolarHBondContact O-N 3.01Å; H466-G468 VanDerWaalsContact O-N 3.17Å; H466-T469 WeakPolarHBondContact CB-OG1 3.46Å; H466-T469 WeakPolarHBondContact ND1-CG2 3.25Å; H466-T469 PolarHBondContact ND1-N 3.09Å; H466-T469 VanDerWaalsContact ND1-N 3.19Å; H466-T469 PolarHBondContact ND1-OG1 3.46Å; H466-T469 PolarHBondContact O-N 3.24Å; H466-T469 PolarHBondContact O-OG1 2.99Å; H466-G470 PolarHBondContact O-N 3.09Å; H466-K471 PolarHBondContact N-O 3.4Å; H466-Y473 HydrophobicContact CB-CD2 4.03Å; H466-Y473 HydrophobicContact CB-CE2 3.75Å
467	H	85.8	Confident	90.9	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.199	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.8	-173.2	-66.2	83.5	0	0	0	114.4	D153 N192 L465	D153-H467 HydrophobicContact CB-CB 4.25Å; D153-H467 CarbonylContact O-C 3.6Å; N192-H467 PolarHBondContact O-CE1 2.76Å; N192-H467 VanDerWaalsContact O-CE1 3.3Å; N192-H467 PolarHBondContact OD1-CE1 2.99Å; N192-H467 PolarHBondContact OD1-ND1 2.85Å; L465-H467 PolarHBondContact O-N 3.38Å
468	G	80.8	Confident	91.3	Very high	27 Å²	27	31 Å²	31	28%	0.278	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.3	-176.2	0	0	0	0	0	115.1	D153 H466	D153-G468 WeakPolarHBondContact O-CA 3.5Å; D153-G468 PolarHBondContact O-N 2.84Å; H466-G468 VanDerWaalsContact C-N 3.29Å; H466-G468 PolarHBondContact O-N 3.01Å; H466-G468 VanDerWaalsContact O-N 3.17Å
469	T	85.9	Confident	91.5	Very high	54 Å²	54	36.4 Å²	36.4	33%	0.331	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-18.4	-179.2	55.8	0	0	0	0	112.9	G156 H466 K471	G156-T469 VanDerWaalsContact CA-CG2 3.42Å; H466-T469 WeakPolarHBondContact CB-OG1 3.46Å; H466-T469 WeakPolarHBondContact ND1-CG2 3.25Å; H466-T469 PolarHBondContact ND1-N 3.09Å; H466-T469 VanDerWaalsContact ND1-N 3.19Å; H466-T469 PolarHBondContact ND1-OG1 3.46Å; H466-T469 PolarHBondContact O-N 3.24Å; H466-T469 PolarHBondContact O-OG1 2.99Å; T469-K471 PolarHBondContact O-N 3.36Å; T469-K471 PolarHBondContact OG1-N 3.24Å
470	G	86.8	Confident	91.5	Very high	50 Å²	50	37.4 Å²	37.4	52%	0.515	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	9.1	-170.3	0	0	0	0	0	113.8	H466	H466-G470 PolarHBondContact O-N 3.09Å
471	K	91.4	Very high	91.5	Very high	99 Å²	99	41 Å²	41	43%	0.43	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	151.6	179	-68.7	-169.4	166.7	-154.7	0	111.7	H466 T469 Y473 D482	H466-K471 PolarHBondContact N-O 3.4Å; T469-K471 PolarHBondContact O-N 3.36Å; T469-K471 PolarHBondContact OG1-N 3.24Å; K471-Y473 HydrophobicContact CB-CE2 3.79Å; K471-D482 IonicContact NZ-OD2 2.77Å; K471-D482 PolarHBondContact NZ-OD2 3.23Å; K471-D482 VanDerWaalsContact NZ-OD2 3.13Å
472	W	94.8	Very high	91.4	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.038	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.4	177	-74.8	86.8	0	0	0	110.5	L445 H463 V464 L465 D482 I483 I488	L445-W472 HydrophobicContact CB-CH2 3.96Å; L445-W472 HydrophobicContact CB-CZ2 4.29Å; L445-W472 HydrophobicContact CD2-CH2 3.72Å; L445-W472 HydrophobicContact CD2-CZ2 4.34Å; L445-W472 HydrophobicContact CD2-CZ3 4.37Å; L445-W472 HydrophobicContact CG-CH2 3.67Å; L445-W472 HydrophobicContact CG-CZ2 4.43Å; L445-W472 HydrophobicContact CG-CZ3 4.5Å; L445-W472 VanDerWaalsContact O-CH2 3.23Å; L445-W472 WeakPolarHBondContact O-CH2 3.5Å; L445-W472 VanDerWaalsContact O-CZ2 3.3Å; L445-W472 WeakPolarHBondContact O-CZ2 3.49Å; H463-W472 HydrophobicContact CB-CE3 4.11Å; H463-W472 HydrophobicContact CB-CZ3 4.33Å; V464-W472 WeakPolarHBondContact O-CA 3.38Å; L465-W472 HydrophobicContact CB-CD2 4.14Å; L465-W472 HydrophobicContact CB-CE3 4.15Å; L465-W472 HydrophobicContact CB-CH2 3.85Å; L465-W472 HydrophobicContact CB-CZ2 3.85Å; L465-W472 HydrophobicContact CB-CZ3 4.02Å; L465-W472 HydrophobicContact CD1-CD2 4.28Å; L465-W472 HydrophobicContact CD1-CG 4.41Å; L465-W472 HydrophobicContact CD1-CZ2 4.27Å; L465-W472 HydrophobicContact CD2-CZ2 4.46Å; L465-W472 HydrophobicContact CG-CZ2 4.42Å; W472-D482 VanDerWaalsContact O-OD1 3.12Å; W472-I483 HydrophobicContact CB-CG2 3.75Å; W472-I483 WeakPolarHBondContact CB-O 3.03Å; W472-I483 PolarHBondContact O-N 2.59Å; W472-I488 HydrophobicContact CB-CD1 4Å; W472-I488 HydrophobicContact CD2-CD1 3.18Å; W472-I488 HydrophobicContact CE3-CD1 3.39Å; W472-I488 HydrophobicContact CG-CD1 3.49Å; W472-I488 VanDerWaalsContact CG-CD1 3.49Å; W472-I488 HydrophobicContact CH2-CD1 4.32Å; W472-I488 HydrophobicContact CZ2-CD1 4.16Å; W472-I488 HydrophobicContact CZ3-CD1 3.96Å
473	Y	94.6	Very high	91.3	Very high	30 Å²	30	44.1 Å²	44.1	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	177.7	-63.8	-86.6	0	0	0	109.6	L168 I171 H463 V464 H466 K471 V480 I481 D482	L168-Y473 HydrophobicContact CD1-CE2 3.71Å; L168-Y473 VanDerWaalsContact CD1-OH 3.3Å; L168-Y473 WeakPolarHBondContact CD1-OH 3.39Å; I171-Y473 HydrophobicContact CD1-CD2 4.27Å; I171-Y473 HydrophobicContact CG1-CD2 4.13Å; I171-Y473 HydrophobicContact CG2-CD1 4.08Å; I171-Y473 HydrophobicContact CG2-CD2 3.88Å; I171-Y473 HydrophobicContact CG2-CG 3.56Å; H463-Y473 CarbonylContact C-O 3.47Å; H463-Y473 VanDerWaalsContact CA-O 3.29Å; H463-Y473 WeakPolarHBondContact CA-O 3.47Å; V464-Y473 PolarHBondContact N-O 2.63Å; V464-Y473 PolarHBondContact O-N 3.36Å; H466-Y473 HydrophobicContact CB-CD2 4.03Å; H466-Y473 HydrophobicContact CB-CE2 3.75Å; K471-Y473 HydrophobicContact CB-CE2 3.79Å; Y473-V480 HydrophobicContact CD1-CG1 4.17Å; Y473-I481 CarbonylContact C-O 3.54Å; Y473-I481 VanDerWaalsContact CA-O 3.28Å; Y473-I481 WeakPolarHBondContact CA-O 3.39Å; Y473-D482 HydrophobicContact CD1-CB 4.43Å; Y473-D482 HydrophobicContact CE1-CB 4.26Å
474	E	95.3	Very high	91.1	Very high	32 Å²	32	49.6 Å²	49.6	15%	0.15	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.8	164.5	-175.4	178.4	105.2	0	0	108.8	R461 I462 H463 V480 I481 I483	R461-E474 IonicContact CZ-OE2 3.32Å; R461-E474 IonicContact NH1-OE2 3.8Å; R461-E474 PolarHBondContact NH1-OE2 3.43Å; I462-E474 CarbonylContact O-C 2.98Å; I462-E474 WeakPolarHBondContact O-CA 3.38Å; H463-E474 IonicContact CD2-OE2 3.61Å; H463-E474 IonicContact NE2-OE2 2.9Å; H463-E474 PolarHBondContact NE2-OE2 3.33Å; E474-V480 CarbonylContact O-C 3.57Å; E474-V480 WeakPolarHBondContact O-CA 3.35Å; E474-I481 HydrophobicContact CB-CB 4.49Å; E474-I481 PolarHBondContact N-O 3.37Å; E474-I481 PolarHBondContact O-N 3.32Å; E474-I483 HydrophobicContact CB-CB 4.32Å; E474-I483 HydrophobicContact CB-CD1 4.45Å; E474-I483 HydrophobicContact CB-CG2 4.27Å
475	M	93.4	Very high	90.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.5	175.5	-51.8	-169.6	-48.1	0	0	109.3	I171 Q188 R461 I462 V464 Q479 V480	I171-M475 HydrophobicContact CB-SD 4.49Å; I171-M475 HydrophobicContact CG2-CG 4.46Å; I171-M475 HydrophobicContact CG2-SD 3.8Å; Q188-M475 HydrophobicContact CB-CE 3.55Å; Q188-M475 HydrophobicContact CG-CE 3.49Å; Q188-M475 VanDerWaalsContact CG-CE 3.49Å; R461-M475 WeakPolarHBondContact CA-O 3.44Å; I462-M475 HydrophobicContact CG2-CB 3.91Å; I462-M475 HydrophobicContact CG2-CE 3.86Å; I462-M475 PolarHBondContact N-O 3.48Å; I462-M475 PolarHBondContact O-N 2.81Å; V464-M475 HydrophobicContact CG1-CE 4.18Å; V464-M475 HydrophobicContact CG2-CE 3.89Å; V464-M475 HydrophobicContact CG2-CG 4.2Å; V464-M475 HydrophobicContact CG2-SD 3.94Å; M475-Q479 VanDerWaalsContact CA-O 3.3Å; M475-Q479 WeakPolarHBondContact CA-O 3.2Å; M475-V480 HydrophobicContact CG-CG1 4.31Å; M475-V480 HydrophobicContact CG-CG2 4.13Å; M475-V480 HydrophobicContact SD-CG2 4.34Å
476	Q	92.4	Very high	90.5	Very high	62 Å²	62	57.7 Å²	57.7	29%	0.29	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	99.1	171.5	-173.4	175.9	3.7	0	0	107.4	R461 L478 Q479	R461-Q476 HydrophobicContact CB-CB 3.98Å; R461-Q476 HydrophobicContact CB-CG 4.22Å; Q476-L478 PolarHBondContact O-N 3.41Å; Q476-Q479 PolarHBondContact N-O 3.38Å; Q476-Q479 PolarHBondContact O-N 2.92Å
477	D	89.6	Confident	90.4	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.139	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	-108.7	-173.2	-59.9	-44.8	0	0	0	112.3	G173 L174 N176 N184	G173-D477 CarbonylContact C-O 3.51Å; G173-D477 WeakPolarHBondContact CA-O 3.31Å; L174-D477 PolarHBondContact N-O 3.23Å; L174-D477 CarbonylContact O-C 3.46Å; L174-D477 VanDerWaalsContact O-CA 3.23Å; L174-D477 WeakPolarHBondContact O-CA 3.15Å; L174-D477 WeakPolarHBondContact O-CB 3.48Å; N176-D477 HydrophobicContact CB-CB 3.9Å; N176-D477 WeakPolarHBondContact CB-OD2 3.19Å; N176-D477 PolarHBondContact ND2-OD2 2.73Å; N184-D477 PolarHBondContact ND2-OD1 3.06Å
478	L	89.6	Confident	90.6	Very high	82 Å²	82	60 Å²	60	43%	0.429	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-20	-179	-67.1	176.7	0	0	0	113.5	L174 N175 H240 Q476	L174-L478 PolarHBondContact O-N 2.91Å; N175-L478 HydrophobicContact CB-CD2 4.2Å; H240-L478 HydrophobicContact CB-CD2 3.51Å; Q476-L478 PolarHBondContact O-N 3.41Å
479	Q	89.6	Confident	91	Very high	123 Å²	123	60.1 Å²	60.1	58%	0.575	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.8	-176	-59.8	-174.8	9.7	0	0	109.9	M475 Q476	M475-Q479 VanDerWaalsContact CA-O 3.3Å; M475-Q479 WeakPolarHBondContact CA-O 3.2Å; Q476-Q479 PolarHBondContact N-O 3.38Å; Q476-Q479 PolarHBondContact O-N 2.92Å
480	V	92.3	Very high	91.1	Very high	59 Å²	59	62.6 Å²	62.6	36%	0.358	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.1	177.8	179.2	0	0	0	0	108.1	I171 Y473 E474 M475	I171-V480 HydrophobicContact CG2-CG1 3.61Å; Y473-V480 HydrophobicContact CD1-CG1 4.17Å; E474-V480 CarbonylContact O-C 3.57Å; E474-V480 WeakPolarHBondContact O-CA 3.35Å; M475-V480 HydrophobicContact CG-CG1 4.31Å; M475-V480 HydrophobicContact CG-CG2 4.13Å; M475-V480 HydrophobicContact SD-CG2 4.34Å
481	I	92.9	Very high	91.2	Very high	84 Å²	84	60.5 Å²	60.5	43%	0.431	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.3	-172.9	-52.5	175.9	0	0	0	108.9	Y473 E474	Y473-I481 CarbonylContact C-O 3.54Å; Y473-I481 VanDerWaalsContact CA-O 3.28Å; Y473-I481 WeakPolarHBondContact CA-O 3.39Å; E474-I481 HydrophobicContact CB-CB 4.49Å; E474-I481 PolarHBondContact N-O 3.37Å; E474-I481 PolarHBondContact O-N 3.32Å
482	D	93.2	Very high	91.1	Very high	84 Å²	84	57.5 Å²	57.5	45%	0.449	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.1	172.2	-164.7	-13.4	0	0	0	108.6	K471 W472 Y473	K471-D482 IonicContact NZ-OD2 2.77Å; K471-D482 PolarHBondContact NZ-OD2 3.23Å; K471-D482 VanDerWaalsContact NZ-OD2 3.13Å; W472-D482 VanDerWaalsContact O-OD1 3.12Å; Y473-D482 HydrophobicContact CD1-CB 4.43Å; Y473-D482 HydrophobicContact CE1-CB 4.26Å
483	I	93.8	Very high	91	Very high	20 Å²	20	57 Å²	57	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.9	-176.4	-169.9	169.9	0	0	0	110.8	W472 E474 M487	W472-I483 HydrophobicContact CB-CG2 3.75Å; W472-I483 WeakPolarHBondContact CB-O 3.03Å; W472-I483 PolarHBondContact O-N 2.59Å; E474-I483 HydrophobicContact CB-CB 4.32Å; E474-I483 HydrophobicContact CB-CD1 4.45Å; E474-I483 HydrophobicContact CB-CG2 4.27Å; I483-M487 HydrophobicContact CD1-CB 3.86Å; I483-M487 HydrophobicContact CG1-CB 3.8Å; I483-M487 HydrophobicContact CG1-CG 4.47Å
484	L	91.3	Very high	91	Very high	115 Å²	115	56 Å²	56	60%	0.602	29%	0.287	S	S	*	.			trans	-69.7	140.1	176	-68	173.4	0	0	0	110.6	Q486 M487	L484-Q486 PolarHBondContact O-N 3.36Å; L484-Q486 VanDerWaalsContact O-N 3.08Å; L484-M487 HydrophobicContact CB-CG 4.12Å; L484-M487 WeakPolarHBondContact O-CB 3.08Å; L484-M487 PolarHBondContact O-N 3.28Å
485	P	88.7	Confident	91.1	Very high	48 Å²	48	54.6 Å²	54.6	31%	0.312	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-29.9	-177.3	-19.3	26.5	0	0	0	114	I421 M487 I488	I421-P485 HydrophobicContact CD1-CB 3.29Å; I421-P485 HydrophobicContact CD1-CG 4.39Å; P485-M487 VanDerWaalsContact C-N 3.29Å; P485-M487 PolarHBondContact O-N 2.63Å; P485-I488 WeakPolarHBondContact O-CB 3.23Å; P485-I488 PolarHBondContact O-N 3.34Å
486	Q	87.6	Confident	91.2	Very high	154 Å²	154	54.4 Å²	54.4	72%	0.72	28%	0.28	S	S	*	.	H	α-helix	trans	-67.1	-26.3	177.3	-65.5	168.6	-6	0	0	113.3	L484 I488 T489	L484-Q486 PolarHBondContact O-N 3.36Å; L484-Q486 VanDerWaalsContact O-N 3.08Å; Q486-I488 VanDerWaalsContact C-N 3.31Å; Q486-T489 PolarHBondContact O-OG1 3.25Å
487	M	89.4	Confident	91.4	Very high	98 Å²	98	51.5 Å²	51.5	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-77.5	-21.1	-179.6	-62.7	-63.8	-68.1	0	0	112.2	I483 L484 P485 T489 L490	I483-M487 HydrophobicContact CD1-CB 3.86Å; I483-M487 HydrophobicContact CG1-CB 3.8Å; I483-M487 HydrophobicContact CG1-CG 4.47Å; L484-M487 HydrophobicContact CB-CG 4.12Å; L484-M487 WeakPolarHBondContact O-CB 3.08Å; L484-M487 PolarHBondContact O-N 3.28Å; P485-M487 VanDerWaalsContact C-N 3.29Å; P485-M487 PolarHBondContact O-N 2.63Å; M487-T489 VanDerWaalsContact C-N 3.31Å; M487-T489 PolarHBondContact O-N 3.23Å; M487-L490 HydrophobicContact CE-CD1 4.38Å; M487-L490 PolarHBondContact O-N 2.86Å; M487-L490 HydrophobicContact SD-CD1 3.94Å
488	I	90.4	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-38.5	-177	-56.3	172.7	0	0	0	110.6	F419 L445 N448 H463 W472 P485 Q486 L490 S491	F419-I488 HydrophobicContact CE2-CG2 4.14Å; F419-I488 HydrophobicContact CZ-CG2 4.27Å; L445-I488 HydrophobicContact CD2-CG2 4.1Å; N448-I488 HydrophobicContact CB-CG2 4.14Å; N448-I488 WeakPolarHBondContact ND2-CG2 3.41Å; H463-I488 HydrophobicContact CB-CG1 4.46Å; H463-I488 HydrophobicContact CB-CG2 4.37Å; W472-I488 HydrophobicContact CB-CD1 4Å; W472-I488 HydrophobicContact CD2-CD1 3.18Å; W472-I488 HydrophobicContact CE3-CD1 3.39Å; W472-I488 HydrophobicContact CG-CD1 3.49Å; W472-I488 VanDerWaalsContact CG-CD1 3.49Å; W472-I488 HydrophobicContact CH2-CD1 4.32Å; W472-I488 HydrophobicContact CZ2-CD1 4.16Å; W472-I488 HydrophobicContact CZ3-CD1 3.96Å; P485-I488 WeakPolarHBondContact O-CB 3.23Å; P485-I488 PolarHBondContact O-N 3.34Å; Q486-I488 VanDerWaalsContact C-N 3.31Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 PolarHBondContact O-N 3.37Å; I488-S491 PolarHBondContact O-N 3.05Å; I488-S491 PolarHBondContact O-OG 3.06Å
489	T	88.5	Confident	91.9	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.172	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.5	-177.7	65.1	0	0	0	0	113	I416 F419 I421 Q486 M487 S491	I416-T489 WeakPolarHBondContact CG2-O 3.36Å; F419-T489 HydrophobicContact CD2-CG2 4.07Å; F419-T489 HydrophobicContact CE2-CG2 3.92Å; F419-T489 HydrophobicContact CZ-CG2 4.32Å; F419-T489 WeakPolarHBondContact O-CG2 3.34Å; I421-T489 HydrophobicContact CG2-CG2 4.18Å; Q486-T489 PolarHBondContact O-OG1 3.25Å; M487-T489 VanDerWaalsContact C-N 3.31Å; M487-T489 PolarHBondContact O-N 3.23Å; T489-S491 VanDerWaalsContact C-N 3.29Å
490	L	87.8	Confident	92	Very high	107 Å²	107	46.6 Å²	46.6	56%	0.56	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.1	177.6	-58	178.4	0	0	0	112.9	I416 M487 I488	I416-L490 WeakPolarHBondContact CD1-O 3.46Å; M487-L490 HydrophobicContact CE-CD1 4.38Å; M487-L490 PolarHBondContact O-N 2.86Å; M487-L490 HydrophobicContact SD-CD1 3.94Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 PolarHBondContact O-N 3.37Å
491	S	88.3	Confident	91.8	Very high	6 Å²	6	47 Å²	47	4%	0.042	24%	0.235	C	C	.	.	S	Bend	trans	-88.2	156.3	-177.2	69.3	0	0	0	0	112.6	N448 V450 H463 I488 T489 A493	N448-S491 PolarHBondContact ND2-OG 3.07Å; V450-S491 VanDerWaalsContact CG2-OG 3.25Å; V450-S491 WeakPolarHBondContact CG2-OG 3.26Å; H463-S491 PolarHBondContact CE1-OG 2.83Å; I488-S491 PolarHBondContact O-N 3.05Å; I488-S491 PolarHBondContact O-OG 3.06Å; T489-S491 VanDerWaalsContact C-N 3.29Å; S491-A493 PolarHBondContact O-N 2.89Å
492	E	90.4	Very high	90.9	Very high	36 Å²	36	51 Å²	51	17%	0.168	25%	0.252	C	S	.	.			trans	-74.6	68.6	175.8	-66.8	174.5	116.9	0	0	110.9	R402 K412 P414 I416 V450 Y494	R402-E492 PolarHBondContact NE-O 2.85Å; R402-E492 VanDerWaalsContact NH2-C 3.35Å; K412-E492 WeakPolarHBondContact CE-OE1 3.27Å; K412-E492 WeakPolarHBondContact CE-OE2 3.23Å; K412-E492 IonicContact NZ-OE1 3.75Å; K412-E492 PolarHBondContact NZ-OE1 3.09Å; K412-E492 IonicContact NZ-OE2 2.72Å; K412-E492 PolarHBondContact NZ-OE2 2.64Å; P414-E492 WeakPolarHBondContact CA-OE1 3.4Å; I416-E492 HydrophobicContact CD1-CB 4.37Å; I416-E492 HydrophobicContact CD1-CG 3.59Å; V450-E492 HydrophobicContact CG1-CB 4.43Å; E492-Y494 PolarHBondContact O-N 3.22Å
493	A	92.4	Very high	88.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	123.4	179.5	0	0	0	0	0	110.9	I400 R402 F419 N448 S491 Q496	I400-A493 HydrophobicContact CD1-CB 3.84Å; I400-A493 VanDerWaalsContact CD1-O 3.25Å; I400-A493 WeakPolarHBondContact CD1-O 3.31Å; R402-A493 VanDerWaalsContact CZ-O 3.24Å; R402-A493 PolarHBondContact NE-O 3.39Å; R402-A493 PolarHBondContact NH2-O 3.16Å; F419-A493 HydrophobicContact CE1-CB 3.78Å; F419-A493 HydrophobicContact CZ-CB 4.15Å; N448-A493 WeakPolarHBondContact OD1-CB 3.46Å; S491-A493 PolarHBondContact O-N 2.89Å; A493-Q496 HydrophobicContact CB-CG 4.37Å
494	Y	94.5	Very high	86	Confident	8 Å²	8	55.2 Å²	55.2	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-52	-175.5	-171.9	-131.6	0	0	0	111.5	D265 A266 V267 I400 R402 F403 I449 H451 Y460 E492	D265-Y494 PolarHBondContact OD1-OH 3.03Å; D265-Y494 PolarHBondContact OD2-OH 3.31Å; A266-Y494 HydrophobicContact CB-CD1 4.29Å; A266-Y494 HydrophobicContact CB-CE1 4.05Å; V267-Y494 HydrophobicContact CB-CE1 4.42Å; V267-Y494 HydrophobicContact CG2-CD1 4.33Å; V267-Y494 HydrophobicContact CG2-CE1 3.6Å; V267-Y494 HydrophobicContact CG2-CE2 4.06Å; V267-Y494 VanDerWaalsContact CG2-CZ 3.41Å; V267-Y494 WeakPolarHBondContact CG2-OH 3.45Å; I400-Y494 PolarHBondContact N-O 3.25Å; I400-Y494 VanDerWaalsContact O-CD2 3.26Å; I400-Y494 WeakPolarHBondContact O-CD2 3.08Å; I400-Y494 WeakPolarHBondContact O-CE2 3.48Å; R402-Y494 HydrophobicContact CB-CD2 4.12Å; R402-Y494 HydrophobicContact CB-CE2 4.18Å; R402-Y494 HydrophobicContact CG-CD2 4Å; R402-Y494 HydrophobicContact CG-CE2 4.49Å; F403-Y494 AromaticContact CD2-CE2 3.91Å; F403-Y494 HydrophobicContact CD2-CE2 3.91Å; F403-Y494 AromaticContact CD2-CZ 3.79Å; F403-Y494 WeakPolarHBondContact CD2-OH 3.25Å; F403-Y494 HydrophobicContact CE2-CD2 4.46Å; F403-Y494 HydrophobicContact CE2-CE1 4.13Å; F403-Y494 AromaticContact CE2-CE2 3.79Å; F403-Y494 HydrophobicContact CE2-CE2 3.79Å; F403-Y494 AromaticContact CE2-CZ 3.6Å; I449-Y494 WeakPolarHBondContact O-CA 3.48Å; I449-Y494 WeakPolarHBondContact O-CB 3.47Å; I449-Y494 PolarHBondContact O-N 3.28Å; H451-Y494 HydrophobicContact CB-CG 4.49Å; Y460-Y494 AromaticContact CE1-CD1 3.82Å; Y460-Y494 HydrophobicContact CE1-CD1 3.82Å; Y460-Y494 HydrophobicContact CE1-CE1 4Å; E492-Y494 PolarHBondContact O-N 3.22Å
495	I	96.3	Very high	83.2	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.3	173.7	-57.5	164.1	0	0	0	108.3	V186 A266 V267 M270 I397 F398 N448 I449	V186-I495 HydrophobicContact CG2-CD1 4.35Å; A266-I495 HydrophobicContact CB-CD1 3.85Å; V267-I495 HydrophobicContact CG2-CD1 3.78Å; V267-I495 HydrophobicContact CG2-CG1 3.68Å; M270-I495 HydrophobicContact SD-CD1 4.27Å; M270-I495 HydrophobicContact SD-CG2 3.79Å; I397-I495 HydrophobicContact CG2-CG2 3.86Å; F398-I495 CarbonylContact O-C 3.55Å; F398-I495 VanDerWaalsContact O-CA 3.3Å; F398-I495 WeakPolarHBondContact O-CA 3.34Å; N448-I495 CarbonylContact C-O 3.52Å; N448-I495 WeakPolarHBondContact CA-O 3.28Å; I449-I495 HydrophobicContact CB-CB 4.04Å; I449-I495 HydrophobicContact CD1-CB 4.03Å; I449-I495 HydrophobicContact CD1-CD1 4.05Å; I449-I495 HydrophobicContact CD1-CG2 4.32Å; I449-I495 HydrophobicContact CG1-CB 4.38Å; I449-I495 PolarHBondContact N-O 3.23Å; I449-I495 PolarHBondContact O-N 3.36Å
496	Q	95.9	Very high	80.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	176.7	-63.1	178.6	-30.4	0	0	110.2	I397 F398 F419 L445 A447 N448 A493 W498	I397-Q496 CarbonylContact C-O 3.55Å; I397-Q496 VanDerWaalsContact CA-O 3.26Å; I397-Q496 WeakPolarHBondContact CA-O 3.38Å; F398-Q496 HydrophobicContact CB-CB 4.31Å; F398-Q496 PolarHBondContact N-O 3.19Å; F398-Q496 PolarHBondContact O-N 3.24Å; F419-Q496 VanDerWaalsContact CD1-NE2 3.33Å; L445-Q496 HydrophobicContact CD1-CB 3.81Å; L445-Q496 HydrophobicContact CD1-CG 4.09Å; A447-Q496 CarbonylContact O-C 3.59Å; A447-Q496 WeakPolarHBondContact O-CA 3.29Å; N448-Q496 HydrophobicContact CB-CG 4.5Å; N448-Q496 WeakPolarHBondContact OD1-CG 3.19Å; A493-Q496 HydrophobicContact CB-CG 4.37Å; Q496-W498 VanDerWaalsContact CB-NE1 3.31Å
497	I	96.4	Very high	77.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	170.2	-51.3	-174.5	0	0	0	107.7	A189 F190 V193 F295 Y395 L396 I397 V446 A447	A189-I497 HydrophobicContact CB-CD1 3.66Å; A189-I497 HydrophobicContact CB-CG1 4.49Å; F190-I497 HydrophobicContact CD1-CD1 4.07Å; F190-I497 HydrophobicContact CE1-CD1 4.23Å; V193-I497 HydrophobicContact CG2-CD1 4.08Å; V193-I497 HydrophobicContact CG2-CG2 4Å; F295-I497 HydrophobicContact CE1-CG2 4.42Å; Y395-I497 HydrophobicContact CD1-CG2 4.12Å; L396-I497 WeakPolarHBondContact O-CA 3.14Å; I397-I497 HydrophobicContact CG1-CG1 4.27Å; V446-I497 HydrophobicContact CG2-CB 3.96Å; V446-I497 HydrophobicContact CG2-CG2 3.74Å; V446-I497 WeakPolarHBondContact CG2-O 3.31Å; V446-I497 PolarHBondContact N-O 3.27Å; A447-I497 HydrophobicContact CB-CB 4.1Å; A447-I497 HydrophobicContact CB-CD1 4.39Å; A447-I497 HydrophobicContact CB-CG1 4.25Å; A447-I497 PolarHBondContact N-O 2.92Å; A447-I497 PolarHBondContact O-N 2.98Å
498	W	95.1	Very high	74.9	Confident	1 Å²	1	63.9 Å²	63.9	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.2	-177.9	-63.1	82.3	0	0	0	109.3	L361 Y395 L396 F398 F419 P420 V424 Y443 D444 L445 Q496	L361-W498 HydrophobicContact CD2-CH2 4.1Å; L361-W498 HydrophobicContact CD2-CZ2 3.86Å; Y395-W498 CarbonylContact C-O 3.57Å; Y395-W498 WeakPolarHBondContact CA-O 3.13Å; L396-W498 HydrophobicContact CB-CB 4.34Å; L396-W498 PolarHBondContact N-O 3.47Å; L396-W498 PolarHBondContact O-N 3.21Å; F398-W498 AromaticContact CD2-CD1 3.51Å; F398-W498 AromaticContact CD2-CE2 3.89Å; F398-W498 HydrophobicContact CD2-CG 4.49Å; F398-W498 HydrophobicContact CD2-CZ2 4.5Å; F398-W498 AromaticContact CD2-NE1 3.06Å; F398-W498 AromaticContact CE2-CD1 3.65Å; F398-W498 HydrophobicContact CE2-CD2 4.35Å; F398-W498 AromaticContact CE2-CE2 3.83Å; F398-W498 HydrophobicContact CE2-CG 4.25Å; F398-W498 HydrophobicContact CE2-CZ2 4.42Å; F398-W498 AromaticContact CE2-NE1 3.37Å; F398-W498 AromaticContact CG-NE1 3.98Å; F419-W498 HydrophobicContact CB-CH2 4.26Å; F419-W498 HydrophobicContact CB-CZ2 4.39Å; F419-W498 HydrophobicContact CD2-CH2 4.2Å; F419-W498 HydrophobicContact CD2-CZ2 4.32Å; P420-W498 WeakPolarHBondContact O-CH2 3.49Å; P420-W498 WeakPolarHBondContact O-CZ3 3.21Å; V424-W498 HydrophobicContact CB-CE3 4.44Å; V424-W498 HydrophobicContact CB-CZ3 4.07Å; V424-W498 HydrophobicContact CG2-CE3 4.18Å; V424-W498 HydrophobicContact CG2-CH2 3.64Å; V424-W498 HydrophobicContact CG2-CZ3 3.36Å; Y443-W498 HydrophobicContact CD1-CB 3.76Å; Y443-W498 HydrophobicContact CG-CB 4.3Å; D444-W498 CarbonylContact O-C 3.34Å; D444-W498 VanDerWaalsContact O-CA 3.28Å; D444-W498 WeakPolarHBondContact O-CA 3.35Å; L445-W498 HydrophobicContact CB-CD2 4.32Å; L445-W498 HydrophobicContact CB-CE3 3.95Å; L445-W498 HydrophobicContact CB-CH2 4.07Å; L445-W498 HydrophobicContact CB-CZ2 4.44Å; L445-W498 HydrophobicContact CB-CZ3 3.8Å; L445-W498 HydrophobicContact CD1-CD2 3.92Å; L445-W498 HydrophobicContact CD1-CE3 4.4Å; L445-W498 HydrophobicContact CD1-CG 4.41Å; L445-W498 HydrophobicContact CD1-CH2 4.2Å; L445-W498 HydrophobicContact CD1-CZ2 3.71Å; Q496-W498 VanDerWaalsContact CB-NE1 3.31Å
499	K	94.6	Very high	72.1	Confident	71 Å²	71	73.3 Å²	73.3	31%	0.309	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.5	176.6	175.5	-176.3	173.5	-172.6	0	109.3	Y395 Y443 D444 V446 Q501	Y395-K499 HydrophobicContact CD1-CB 4.08Å; Y395-K499 HydrophobicContact CD1-CG 4.48Å; Y395-K499 HydrophobicContact CE1-CB 3.68Å; Y395-K499 HydrophobicContact CE1-CD 4.16Å; Y395-K499 HydrophobicContact CE1-CG 3.79Å; Y395-K499 HydrophobicContact CE2-CG 4.41Å; Y395-K499 WeakPolarHBondContact OH-CD 3.47Å; Y443-K499 CarbonylContact C-O 3.53Å; Y443-K499 VanDerWaalsContact CA-O 3.3Å; Y443-K499 WeakPolarHBondContact CA-O 3.16Å; Y443-K499 VanDerWaalsContact CD1-C 3.48Å; D444-K499 PolarHBondContact N-O 3.49Å; D444-K499 PolarHBondContact O-N 3.42Å; V446-K499 HydrophobicContact CG1-CB 3.53Å; V446-K499 HydrophobicContact CG1-CD 4.31Å; V446-K499 HydrophobicContact CG2-CB 4.49Å; K499-Q501 PolarHBondContact O-N 3.11Å
500	R	92.7	Very high	69.4	Low	56 Å²	56	84.1 Å²	84.1	21%	0.211	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.2	171.8	-166.6	165.9	71.6	168.6	6.5	110	P394 E438 N440 Y443 E502	P394-R500 VanDerWaalsContact O-CB 3.32Å; P394-R500 WeakPolarHBondContact O-CB 3.32Å; P394-R500 PolarHBondContact O-N 2.65Å; E438-R500 IonicContact OE1-NH1 3.3Å; E438-R500 IonicContact OE2-CZ 3.73Å; E438-R500 IonicContact OE2-NH1 3.78Å; E438-R500 PolarHBondContact OE2-NH1 3.37Å; N440-R500 VanDerWaalsContact O-CD 3.31Å; N440-R500 WeakPolarHBondContact O-CD 3.21Å; Y443-R500 HydrophobicContact CD1-CB 4.17Å; Y443-R500 HydrophobicContact CE1-CB 3.63Å; Y443-R500 HydrophobicContact CE1-CG 4.29Å; Y443-R500 HydrophobicContact CE2-CB 4.3Å; Y443-R500 HydrophobicContact CE2-CG 4.06Å; Y443-R500 WeakPolarHBondContact OH-CD 3.49Å; R500-E502 PolarHBondContact O-N 2.94Å
501	Q	87.1	Confident	66.8	Low	69 Å²	69	82.7 Å²	82.7	32%	0.322	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.6	171.3	-68.7	-174	-0.7	0	0	108.8	N440 S442 D444 K499	N440-Q501 WeakPolarHBondContact CB-O 3.08Å; S442-Q501 PolarHBondContact O-N 3.45Å; D444-Q501 PolarHBondContact OD1-NE2 3.46Å; D444-Q501 WeakPolarHBondContact OD2-CG 3.17Å; D444-Q501 PolarHBondContact OD2-NE2 2.89Å; K499-Q501 PolarHBondContact O-N 3.11Å
502	E	74.5	Confident	64.1	Low	168 Å²	168	93 Å²	93	79%	0.785	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-82.1	133.2	164.3	-70.5	-179.4	171.7	0	0	106.9	R500 S504	R500-E502 PolarHBondContact O-N 2.94Å; E502-S504 VanDerWaalsContact C-N 3.26Å; E502-S504 PolarHBondContact O-N 3.15Å
503	S	46.3	Very low	62.7	Low	87 Å²	87	95.9 Å²	95.9	61%	0.608	52%	0.517	S	S	*	.			trans	-55.5	93.6	170.6	51.1	0	0	0	0	108.7	N440	N440-S503 PolarHBondContact ND2-N 3.35Å; N440-S503 PolarHBondContact ND2-OG 2.9Å; N440-S503 WeakPolarHBondContact OD1-CB 3.11Å
504	S	37.5	Very low	61.2	Low	105 Å²	105	100.9 Å²	100.9	73%	0.734	54%	0.544	S	S	*	.			trans	-73.1	129.6	157.7	45	0	0	0	0	106.3	E502 T506	E502-S504 VanDerWaalsContact C-N 3.26Å; E502-S504 PolarHBondContact O-N 3.15Å; S504-T506 PolarHBondContact O-N 3Å
505	D	33.1	Very low	59.3	Low	154 Å²	154	106.1 Å²	106.1	82%	0.824	57%	0.573	S	S	*	*			trans	-40	113.2	176.1	-64.7	-60.8	0	0	0	111	N507	D505-N507 PolarHBondContact O-N 2.99Å
506	T	29	Very low	57.1	Low	143 Å²	143	112.2 Å²	112.2	88%	0.877	61%	0.606	S	S	*	*	S	Bend	trans	-65.3	68.4	161.9	33.1	0	0	0	0	109.1	S504	S504-T506 PolarHBondContact O-N 3Å
507	N	31.4	Very low	54.7	Low	145 Å²	145	119.2 Å²	119.2	78%	0.775	64%	0.644	S	S	*	*			trans	-153.5	34.8	175.7	-124.3	9	0	0	0	115.5	D505	D505-N507 PolarHBondContact O-N 2.99Å
508	N	30.2	Very low	51.9	Low	155 Å²	155	127.1 Å²	127.1	83%	0.829	69%	0.686	S	S	*	*	S	Bend	trans	-147.4	32	167.1	-113.3	-2.6	0	0	0	117.2
509	H	33.1	Very low	48.9	Very low	197 Å²	197	136.1 Å²	136.1	91%	0.912	74%	0.735	S	S	*	*			trans	-139	66.4	160	-85.5	-32.7	0	0	0	111.7
510	R	31.4	Very low	45.3	Very low	256 Å²	256	141.1 Å²	141.1	97%	0.966	77%	0.768	S	S	*	*	S	Bend	trans	-137.9	112.3	147.2	-83.2	-169.9	176.4	-178.9	-0.4	107.9
511	G	32.7	Very low	41.4	Very low	77 Å²	77	148.2 Å²	148.2	79%	0.794	81%	0.814	S	S	*	*			trans	112.7	83.1	166.8	0	0	0	0	0	114.8
512	V	30.4	Very low	37.2	Very low	222 Å²	222	155.4 Å²	155.4	100%	1.345	86%	0.859	S	S	*	*				-135.1	0	122.2	-178.8	0	0	0	0	107.1

Retrieved 512 of 512 residues in 147.9 ms (Link to these results)

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