A0A5K4F0T6_SCHMA Loading...

U3 small nucleolar RNA-interacting protein 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0T6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 464 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	34.3	Very low	215 Å²	215	175.3 Å²	175.3	100%	1.059	85%	0.847	S	S	*	*				0	131.6	0	-69.7	-128.6	175.5	0	0	106.6	V3	M1-V3 HydrophobicContact CE-CG2 3.88Å; M1-V3 HydrophobicContact CG-CG2 4.23Å; M1-V3 HydrophobicContact SD-CG2 3.85Å
2	P	47.9	Very low	33.9	Very low	135 Å²	135	171.3 Å²	171.3	88%	0.877	84%	0.84	S	S	*	*			cis	-100.5	144.5	42.5	21.8	-7.6	0	0	0	113.1
3	V	35.1	Very low	33.5	Very low	82 Å²	82	172.8 Å²	172.8	50%	0.497	84%	0.84	S	S	.	*			trans	-89.9	128.5	174.3	171.5	0	0	0	0	105.8	M1 R5	M1-V3 HydrophobicContact CE-CG2 3.88Å; M1-V3 HydrophobicContact CG-CG2 4.23Å; M1-V3 HydrophobicContact SD-CG2 3.85Å; V3-R5 HydrophobicContact CG1-CG 3.81Å
4	D	38	Very low	33.2	Very low	169 Å²	169	174.5 Å²	174.5	90%	0.904	84%	0.841	S	S	*	*			trans	-133.8	116.4	155.8	-127	-20.1	0	0	0	110.8
5	R	35.3	Very low	33	Very low	222 Å²	222	175.1 Å²	175.1	84%	0.838	84%	0.841	S	S	*	*			trans	-90.4	127.3	-166	-82	175	171.5	-175.1	-2.3	109.9	V3	V3-R5 HydrophobicContact CG1-CG 3.81Å
6	R	27.7	Very low	32.8	Very low	231 Å²	231	171.1 Å²	171.1	87%	0.872	84%	0.837	S	S	*	*			trans	3	127.6	145	-75.5	177.2	170.5	171.6	-2.6	117.2
7	A	33.6	Very low	32.7	Very low	98 Å²	98	173.1 Å²	173.1	81%	0.81	84%	0.84	S	S	*	*			trans	-137.8	75.2	143.9	0	0	0	0	0	110.3	R9	A7-R9 PolarHBondContact O-N 3.5Å
8	T	33.5	Very low	32.7	Very low	120 Å²	120	174.7 Å²	174.7	74%	0.736	84%	0.843	S	S	*	*			trans	-74.2	101.9	169.5	26.1	0	0	0	0	109.7	L10	T8-L10 PolarHBondContact O-N 3.49Å
9	R	30.7	Very low	32.5	Very low	242 Å²	242	175.6 Å²	175.6	91%	0.913	85%	0.846	S	S	*	*			trans	-71.3	108.1	173.6	-81.4	179.7	170.6	177.2	-2.5	110.7	A7 R11	A7-R9 PolarHBondContact O-N 3.5Å; R9-R11 PolarHBondContact O-N 3.23Å
10	L	31.2	Very low	32.3	Very low	170 Å²	170	175.9 Å²	175.9	89%	0.89	84%	0.843	S	S	*	*			trans	-65.8	113.4	169.3	-78.8	154.4	0	0	0	110.4	T8 V12	T8-L10 PolarHBondContact O-N 3.49Å; L10-V12 PolarHBondContact O-N 3.48Å
11	R	30.1	Very low	32.3	Very low	244 Å²	244	172.6 Å²	172.6	92%	0.921	84%	0.838	S	S	*	*			trans	-78.5	102	170.9	-92.1	178.2	164.1	172.6	-4.2	109.7	R9 K13	R9-R11 PolarHBondContact O-N 3.23Å; R11-K13 PolarHBondContact O-N 2.71Å
12	V	30.2	Very low	32.1	Very low	127 Å²	127	168.8 Å²	168.8	77%	0.77	82%	0.822	S	S	*	*			trans	-75.7	108	168.2	178.4	0	0	0	0	108.8	L10 K14	L10-V12 PolarHBondContact O-N 3.48Å; V12-K14 PolarHBondContact O-N 2.94Å
13	K	29	Very low	31.4	Very low	192 Å²	192	171 Å²	171	84%	0.835	82%	0.821	S	S	*	*			trans	-71.4	101.2	170.9	-77.5	-179.7	174.7	177.7	0	109.2	R11 H15	R11-K13 PolarHBondContact O-N 2.71Å; K13-H15 PolarHBondContact O-N 3.25Å
14	K	29.2	Very low	31.1	Very low	196 Å²	196	175.9 Å²	175.9	85%	0.852	84%	0.838	S	S	*	*			trans	-77	104.2	165.6	-85.8	-174.1	175.5	-178.6	0	109.3	V12 S16	V12-K14 PolarHBondContact O-N 2.94Å; K14-S16 PolarHBondContact O-N 3.37Å
15	H	29.4	Very low	30.8	Very low	183 Å²	183	175.8 Å²	175.8	85%	0.847	84%	0.836	S	S	*	*			trans	-68.9	106.6	162.7	-93.8	-58.6	0	0	0	108.9	K13	K13-H15 PolarHBondContact O-N 3.25Å
16	S	30.9	Very low	30.4	Very low	111 Å²	111	174 Å²	174	78%	0.776	84%	0.837	S	S	*	*			trans	-89	109.3	165.5	53.2	0	0	0	0	108.5	K14 K18	K14-S16 PolarHBondContact O-N 3.37Å; S16-K18 PolarHBondContact O-N 3.32Å
17	K	31.2	Very low	30.5	Very low	205 Å²	205	168.6 Å²	168.6	89%	0.891	84%	0.835	S	S	*	*			trans	-69.8	110	168.5	-80.3	179.2	173	179.9	0	107.6	Q19	K17-Q19 PolarHBondContact O-N 3.49Å
18	K	31	Very low	30.4	Very low	203 Å²	203	171.5 Å²	171.5	88%	0.883	84%	0.836	S	S	*	*			trans	-69.7	105.2	166	-93.3	178.4	169	-179.2	0	108.1	S16 K20	S16-K18 PolarHBondContact O-N 3.32Å; K18-K20 PolarHBondContact O-N 3.02Å
19	Q	30	Very low	30.4	Very low	192 Å²	192	171.4 Å²	171.4	90%	0.897	84%	0.841	S	S	*	*			trans	-66	115.8	160.6	-85.9	171.3	-40.9	0	0	107.7	K17	K17-Q19 PolarHBondContact O-N 3.49Å
20	K	29.2	Very low	30.3	Very low	181 Å²	181	163.6 Å²	163.6	79%	0.787	84%	0.836	S	S	*	*			trans	-82.2	114.9	162.4	-81.1	-179.1	166.4	-168.1	0	106.5	K18	K18-K20 PolarHBondContact O-N 3.02Å
21	S	31.4	Very low	30.2	Very low	107 Å²	107	160 Å²	160	75%	0.748	83%	0.831	S	S	*	*			trans	-95.4	91.7	166.8	53.2	0	0	0	0	107
22	D	30.1	Very low	30	Very low	134 Å²	134	153.9 Å²	153.9	72%	0.717	83%	0.825	S	S	*	*			trans	-88.2	96.4	166.7	-67.4	-31.8	0	0	0	105.7
23	E	32.4	Very low	30.1	Very low	182 Å²	182	153.5 Å²	153.5	85%	0.85	83%	0.828	S	S	*	*			trans	-96.9	100.3	167.5	-75.5	-163.6	170.1	0	0	108.2
24	E	29.3	Very low	30.1	Very low	185 Å²	185	151.8 Å²	151.8	86%	0.864	83%	0.833	S	S	*	*			trans	-70.6	124.8	164.2	-71	-178.9	151.5	0	0	108.5	E26	E24-E26 PolarHBondContact O-N 3.47Å
25	I	30.7	Very low	30	Very low	167 Å²	167	145.6 Å²	145.6	86%	0.856	83%	0.825	S	S	*	*			trans	-87.8	98.8	177.2	-61.1	168.9	0	0	0	107
26	E	28.3	Very low	30	Very low	183 Å²	183	142 Å²	142	86%	0.855	82%	0.821	S	S	*	*			trans	-74.7	123.5	165.2	-78.8	-174.4	152.4	0	0	109.6	E24	E24-E26 PolarHBondContact O-N 3.47Å
27	S	29.4	Very low	29.9	Very low	118 Å²	118	146 Å²	146	83%	0.825	83%	0.827	S	S	*	*			trans	-83.7	110.2	171	64.1	0	0	0	0	108.8
28	D	32	Very low	29.8	Very low	159 Å²	159	141.9 Å²	141.9	85%	0.85	82%	0.82	S	S	*	*			trans	-114.4	120.6	171.3	-142.3	0.6	0	0	0	110.9
29	S	32.2	Very low	29.9	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	82%	0.822	S	S	*	*			trans	-84.1	110.1	178.5	49.8	0	0	0	0	109.2
30	G	29.9	Very low	30.2	Very low	78 Å²	78	136.7 Å²	136.7	80%	0.804	81%	0.808	S	S	*	*			trans	-145	104.3	176.9	0	0	0	0	0	111
31	A	28.2	Very low	30.6	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	81%	0.809	S	S	*	*			trans	-72.4	155.2	178.9	0	0	0	0	0	112.9
32	S	26.8	Very low	31.1	Very low	115 Å²	115	136.7 Å²	136.7	80%	0.804	81%	0.813	S	S	*	*			trans	73.5	110.1	158.6	73.5	0	0	0	0	118.5
33	S	31.5	Very low	31.9	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	81%	0.81	S	S	*	*				180	133.2	104.6	60	0	0	0	0	110.3	G35	S33-G35 PolarHBondContact O-N 3.5Å
34	V	29.3	Very low	32.8	Very low	156 Å²	156	131.5 Å²	131.5	95%	0.945	80%	0.803	S	S	*	*			trans	-62.3	123.9	177.5	175.2	0	0	0	0	110.1
35	G	28.1	Very low	34.1	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	80%	0.799	S	S	*	*			trans	-155.3	97.3	178.2	0	0	0	0	0	111.2	S33	S33-G35 PolarHBondContact O-N 3.5Å
36	S	27.6	Very low	35.9	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	78%	0.775	S	S	*	*			trans	-2.7	129.3	163.6	54.3	0	0	0	0	119.3	T38	S36-T38 PolarHBondContact O-N 3.03Å
37	E	28.9	Very low	38.4	Very low	193 Å²	193	120.1 Å²	120.1	90%	0.902	75%	0.751	S	S	*	*			trans	-39.3	115.7	163.8	-62.8	170.6	159	0	0	113.5
38	T	30.6	Very low	40.7	Very low	120 Å²	120	118.9 Å²	118.9	74%	0.736	75%	0.747	S	S	*	*			trans	-125.7	109.1	147.7	44.6	0	0	0	0	106.4	S36 S40	S36-T38 PolarHBondContact O-N 3.03Å; T38-S40 PolarHBondContact O-N 2.9Å
39	E	33.1	Very low	42.8	Very low	198 Å²	198	117.8 Å²	117.8	93%	0.925	74%	0.737	S	S	*	*			trans	-64.6	78.6	164.8	-73.5	-170.8	143	0	0	107.6	D41	E39-D41 PolarHBondContact O-N 3.13Å
40	S	34.5	Very low	45.2	Very low	88 Å²	88	117 Å²	117	62%	0.615	72%	0.72	S	S	*	*			trans	-73.8	116	174.8	59.7	0	0	0	0	108.7	T38 V42	T38-S40 PolarHBondContact O-N 2.9Å; S40-V42 VanDerWaalsContact C-N 3.28Å; S40-V42 PolarHBondContact O-N 3.32Å
41	D	37.9	Very low	47.8	Very low	151 Å²	151	118.6 Å²	118.6	81%	0.807	71%	0.705	S	S	*	*			trans	-35.4	66.9	169.2	-80.3	-44.3	0	0	0	117.1	E39 S43	E39-D41 PolarHBondContact O-N 3.13Å; D41-S43 VanDerWaalsContact C-N 3.34Å; D41-S43 PolarHBondContact O-N 3.37Å
42	V	42.7	Very low	50.3	Low	136 Å²	136	121 Å²	121	82%	0.824	70%	0.698	S	S	*	*			trans	-93.9	69.1	163.4	-164.6	0	0	0	0	108.8	S40	S40-V42 VanDerWaalsContact C-N 3.28Å; S40-V42 PolarHBondContact O-N 3.32Å
43	S	45.6	Very low	52.9	Low	95 Å²	95	118.1 Å²	118.1	66%	0.664	68%	0.675	S	S	*	*			trans	-110.1	6.1	173.9	76.7	0	0	0	0	114.2	D41 H45	D41-S43 VanDerWaalsContact C-N 3.34Å; D41-S43 PolarHBondContact O-N 3.37Å; S43-H45 PolarHBondContact O-N 2.94Å
44	V	51.7	Low	55.4	Low	113 Å²	113	117.5 Å²	117.5	69%	0.685	66%	0.655	S	S	*	*	S	Bend	trans	-89.6	98.3	-174	-168.6	0	0	0	0	109.9
45	H	57	Low	58	Low	171 Å²	171	114.4 Å²	114.4	79%	0.792	63%	0.632	S	S	*	*			trans	80.8	40.6	169.9	-51.6	-47.5	0	0	0	118.5	S43 S47	S43-H45 PolarHBondContact O-N 2.94Å; H45-S47 PolarHBondContact O-N 3.26Å
46	E	68.7	Low	60.5	Low	76 Å²	76	114.4 Å²	114.4	36%	0.355	62%	0.619	S	S	.	*			trans	-66.5	121.4	162.3	-167.6	177.3	-152.2	0	0	109.2	E50 K51 R54	E46-E50 HydrophobicContact CG-CB 3.59Å; E46-K51 HydrophobicContact CG-CB 4.01Å; E46-K51 VanDerWaalsContact OE1-CA 3.23Å; E46-K51 WeakPolarHBondContact OE1-CA 3.37Å; E46-K51 PolarHBondContact OE1-N 3.37Å; E46-R54 IonicContact OE1-CZ 3.84Å; E46-R54 IonicContact OE1-NE 2.89Å; E46-R54 PolarHBondContact OE1-NE 3.34Å; E46-R54 IonicContact OE1-NH2 3.34Å; E46-R54 IonicContact OE2-CZ 3.61Å; E46-R54 IonicContact OE2-NE 3.39Å; E46-R54 PolarHBondContact OE2-NE 3.44Å; E46-R54 IonicContact OE2-NH2 3.78Å; E46-R54 PolarHBondContact OE2-NH2 3.14Å
47	S	79.9	Confident	63.2	Low	49 Å²	49	116.1 Å²	116.1	34%	0.343	61%	0.613	S	S	.	*			trans	-66.6	154.5	174.9	74.6	0	0	0	0	110.6	H45 H49 E50 K51	H45-S47 PolarHBondContact O-N 3.26Å; S47-H49 PolarHBondContact O-N 3.26Å; S47-E50 PolarHBondContact N-OE2 3.02Å; S47-E50 PolarHBondContact O-N 2.93Å; S47-E50 VanDerWaalsContact OG-CD 3.32Å; S47-E50 WeakPolarHBondContact OG-CG 3.24Å; S47-E50 PolarHBondContact OG-N 2.87Å; S47-E50 VanDerWaalsContact OG-N 3.14Å; S47-K51 PolarHBondContact O-N 3.44Å
48	A	78.4	Confident	65.8	Low	91 Å²	91	112.7 Å²	112.7	75%	0.752	60%	0.595	S	S	*	*	H	α-helix	trans	-56.1	-27.7	175.7	0	0	0	0	0	112.5	K52	A48-K52 WeakPolarHBondContact O-CB 3.48Å; A48-K52 PolarHBondContact O-N 3.41Å
49	H	77.1	Confident	68.2	Low	136 Å²	136	109.9 Å²	109.9	63%	0.63	58%	0.583	S	S	*	*	H	α-helix	trans	-71.3	-49.8	174.3	-171	66.4	0	0	0	111.9	S47 K51 K52 V53	S47-H49 PolarHBondContact O-N 3.26Å; H49-K51 PolarHBondContact O-N 3.24Å; H49-K52 WeakPolarHBondContact O-CB 3.35Å; H49-K52 PolarHBondContact O-N 3.26Å; H49-K52 VanDerWaalsContact O-N 3.15Å; H49-V53 WeakPolarHBondContact O-CG2 3.39Å; H49-V53 PolarHBondContact O-N 2.82Å
50	E	82	Confident	70.4	Confident	102 Å²	102	104.1 Å²	104.1	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-59.5	-44.9	177.5	-75.2	156.9	-161.2	0	0	111.8	E46 S47 K52 V53 R54	E46-E50 HydrophobicContact CG-CB 3.59Å; S47-E50 PolarHBondContact N-OE2 3.02Å; S47-E50 PolarHBondContact O-N 2.93Å; S47-E50 VanDerWaalsContact OG-CD 3.32Å; S47-E50 WeakPolarHBondContact OG-CG 3.24Å; S47-E50 PolarHBondContact OG-N 2.87Å; S47-E50 VanDerWaalsContact OG-N 3.14Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 PolarHBondContact O-N 3.17Å; E50-V53 CarbonylContact O-C 3.58Å; E50-V53 WeakPolarHBondContact O-CA 3.42Å; E50-V53 WeakPolarHBondContact O-CB 3.5Å; E50-V53 PolarHBondContact O-N 2.77Å; E50-R54 PolarHBondContact O-N 2.92Å
51	K	83.5	Confident	72.6	Confident	112 Å²	112	105.4 Å²	105.4	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-57.4	-41.6	175.7	-172.6	174.6	-179.9	175.8	0	111.9	E46 S47 H49 R54 L55	E46-K51 HydrophobicContact CG-CB 4.01Å; E46-K51 VanDerWaalsContact OE1-CA 3.23Å; E46-K51 WeakPolarHBondContact OE1-CA 3.37Å; E46-K51 PolarHBondContact OE1-N 3.37Å; S47-K51 PolarHBondContact O-N 3.44Å; H49-K51 PolarHBondContact O-N 3.24Å; K51-R54 PolarHBondContact O-N 3.41Å; K51-L55 HydrophobicContact CG-CD1 4.14Å; K51-L55 WeakPolarHBondContact O-CB 3.27Å; K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.89Å
52	K	80.7	Confident	74.7	Confident	146 Å²	146	105.2 Å²	105.2	64%	0.635	55%	0.546	S	S	*	.	H	α-helix	trans	-66	-42.2	175.8	-171.3	174.3	-178	173.6	0	111.4	A48 H49 E50 T56	A48-K52 WeakPolarHBondContact O-CB 3.48Å; A48-K52 PolarHBondContact O-N 3.41Å; H49-K52 WeakPolarHBondContact O-CB 3.35Å; H49-K52 PolarHBondContact O-N 3.26Å; H49-K52 VanDerWaalsContact O-N 3.15Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 PolarHBondContact O-N 3.17Å; K52-T56 WeakPolarHBondContact O-CB 3.48Å; K52-T56 VanDerWaalsContact O-CG2 3.28Å; K52-T56 WeakPolarHBondContact O-CG2 3.42Å; K52-T56 PolarHBondContact O-N 3.24Å; K52-T56 PolarHBondContact O-OG1 2.95Å
53	V	82	Confident	76.4	Confident	54 Å²	54	100.1 Å²	100.1	33%	0.327	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-42.7	176.5	173.4	0	0	0	0	111.2	H49 E50 T56 K57	H49-V53 WeakPolarHBondContact O-CG2 3.39Å; H49-V53 PolarHBondContact O-N 2.82Å; E50-V53 CarbonylContact O-C 3.58Å; E50-V53 WeakPolarHBondContact O-CA 3.42Å; E50-V53 WeakPolarHBondContact O-CB 3.5Å; E50-V53 PolarHBondContact O-N 2.77Å; V53-T56 VanDerWaalsContact CA-OG1 3.31Å; V53-T56 WeakPolarHBondContact CA-OG1 3.37Å; V53-T56 PolarHBondContact O-N 3.04Å; V53-T56 PolarHBondContact O-OG1 3.38Å; V53-K57 HydrophobicContact CG1-CD 4.35Å; V53-K57 WeakPolarHBondContact O-CB 3.34Å; V53-K57 WeakPolarHBondContact O-CG 3.42Å; V53-K57 PolarHBondContact O-N 3.43Å
54	R	84.9	Confident	77.8	Confident	106 Å²	106	98.2 Å²	98.2	40%	0.4	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-47.2	178.4	-174.9	175.7	61.1	99.7	-0.7	112.5	E46 E50 K51 T56 K57 K58	E46-R54 IonicContact OE1-CZ 3.84Å; E46-R54 IonicContact OE1-NE 2.89Å; E46-R54 PolarHBondContact OE1-NE 3.34Å; E46-R54 IonicContact OE1-NH2 3.34Å; E46-R54 IonicContact OE2-CZ 3.61Å; E46-R54 IonicContact OE2-NE 3.39Å; E46-R54 PolarHBondContact OE2-NE 3.44Å; E46-R54 IonicContact OE2-NH2 3.78Å; E46-R54 PolarHBondContact OE2-NH2 3.14Å; E50-R54 PolarHBondContact O-N 2.92Å; K51-R54 PolarHBondContact O-N 3.41Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 3.12Å; R54-K57 PolarHBondContact O-N 3.36Å; R54-K58 PolarHBondContact O-N 3.48Å
55	L	83.9	Confident	79.2	Confident	91 Å²	91	99.1 Å²	99.1	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-37.9	178	-70.5	173.7	0	0	0	112	K51 K58 A59	K51-L55 HydrophobicContact CG-CD1 4.14Å; K51-L55 WeakPolarHBondContact O-CB 3.27Å; K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.89Å; L55-K58 PolarHBondContact O-N 3.01Å; L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 3.45Å
56	T	80.8	Confident	80.2	Confident	66 Å²	66	96.7 Å²	96.7	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-67.7	-42.3	175.1	46.9	0	0	0	0	112	K52 V53 R54 K58 A59 I60	K52-T56 WeakPolarHBondContact O-CB 3.48Å; K52-T56 VanDerWaalsContact O-CG2 3.28Å; K52-T56 WeakPolarHBondContact O-CG2 3.42Å; K52-T56 PolarHBondContact O-N 3.24Å; K52-T56 PolarHBondContact O-OG1 2.95Å; V53-T56 VanDerWaalsContact CA-OG1 3.31Å; V53-T56 WeakPolarHBondContact CA-OG1 3.37Å; V53-T56 PolarHBondContact O-N 3.04Å; V53-T56 PolarHBondContact O-OG1 3.38Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 3.12Å; T56-K58 PolarHBondContact O-N 3.44Å; T56-A59 PolarHBondContact O-N 2.99Å; T56-I60 VanDerWaalsContact O-CG1 3.24Å; T56-I60 WeakPolarHBondContact O-CG1 3.47Å; T56-I60 PolarHBondContact O-N 2.95Å
57	K	83.3	Confident	80.6	Confident	144 Å²	144	94.5 Å²	94.5	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-56.4	-47.3	172.2	-77.4	-179.2	177.8	-174.7	0	111.9	V53 R54 A59 I60 Q61	V53-K57 HydrophobicContact CG1-CD 4.35Å; V53-K57 WeakPolarHBondContact O-CB 3.34Å; V53-K57 WeakPolarHBondContact O-CG 3.42Å; V53-K57 PolarHBondContact O-N 3.43Å; R54-K57 PolarHBondContact O-N 3.36Å; K57-A59 PolarHBondContact O-N 2.89Å; K57-I60 PolarHBondContact O-N 2.75Å; K57-Q61 PolarHBondContact O-N 3.31Å
58	K	83.8	Confident	80.3	Confident	122 Å²	122	94.4 Å²	94.4	53%	0.53	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.5	-73.9	-170.2	176	-164.5	0	112.6	R54 L55 T56 Q61 K62	R54-K58 PolarHBondContact O-N 3.48Å; L55-K58 PolarHBondContact O-N 3.01Å; T56-K58 PolarHBondContact O-N 3.44Å; K58-Q61 PolarHBondContact O-N 3.48Å; K58-K62 PolarHBondContact O-N 3.13Å
59	A	81.2	Confident	80.1	Confident	60 Å²	60	95.9 Å²	95.9	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-40.5	178.2	0	0	0	0	0	112.3	L55 T56 K57 K62 A63	L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 3.45Å; T56-A59 PolarHBondContact O-N 2.99Å; K57-A59 PolarHBondContact O-N 2.89Å; A59-K62 PolarHBondContact O-N 3.42Å; A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.34Å
60	I	80	Confident	80.3	Confident	78 Å²	78	92.2 Å²	92.2	40%	0.4	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-48.8	174.5	-67.9	164.4	0	0	0	109.5	T56 K57 K62 A63 L64 L81	T56-I60 VanDerWaalsContact O-CG1 3.24Å; T56-I60 WeakPolarHBondContact O-CG1 3.47Å; T56-I60 PolarHBondContact O-N 2.95Å; K57-I60 PolarHBondContact O-N 2.75Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.09Å; I60-A63 WeakPolarHBondContact O-CB 3.44Å; I60-A63 PolarHBondContact O-N 2.98Å; I60-A63 VanDerWaalsContact O-N 3.12Å; I60-L64 HydrophobicContact CG2-CD1 3.92Å; I60-L64 HydrophobicContact CG2-CG 4.21Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 2.93Å; I60-L81 HydrophobicContact CG1-CD1 4.44Å
61	Q	80.1	Confident	80.2	Confident	114 Å²	114	93.6 Å²	93.6	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-57	-45.9	178.1	-176.4	175.6	-3.9	0	0	112.3	K57 K58 A63 L64 E65	K57-Q61 PolarHBondContact O-N 3.31Å; K58-Q61 PolarHBondContact O-N 3.48Å; Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 2.99Å; Q61-L64 WeakPolarHBondContact O-CB 3.36Å; Q61-L64 PolarHBondContact O-N 3.16Å; Q61-E65 WeakPolarHBondContact O-CG 3.24Å; Q61-E65 PolarHBondContact O-N 3.49Å
62	K	82.7	Confident	80.2	Confident	147 Å²	147	96 Å²	96	64%	0.639	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-37.8	176.8	-168.8	177.3	-177.6	178.1	0	112.7	K58 A59 I60 T66	K58-K62 PolarHBondContact O-N 3.13Å; A59-K62 PolarHBondContact O-N 3.42Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.09Å; K62-T66 PolarHBondContact O-N 2.89Å; K62-T66 PolarHBondContact O-OG1 3.24Å
63	A	76.4	Confident	80.2	Confident	30 Å²	30	94.8 Å²	94.8	25%	0.248	50%	0.502	C	S	.	.	H	α-helix	trans	-66.4	-39.5	174.9	0	0	0	0	0	111.5	A59 I60 Q61 T66 V67 L77	A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.34Å; I60-A63 WeakPolarHBondContact O-CB 3.44Å; I60-A63 PolarHBondContact O-N 2.98Å; I60-A63 VanDerWaalsContact O-N 3.12Å; Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 2.99Å; A63-T66 WeakPolarHBondContact O-CB 3.41Å; A63-T66 PolarHBondContact O-N 3.35Å; A63-V67 PolarHBondContact O-N 2.98Å; A63-L77 HydrophobicContact CB-CD2 3.91Å
64	L	76.5	Confident	80.2	Confident	55 Å²	55	97.3 Å²	97.3	29%	0.288	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-43.8	175.3	-69.2	176.9	0	0	0	112.2	I60 Q61 T66 V67 G68 Y74 L77	I60-L64 HydrophobicContact CG2-CD1 3.92Å; I60-L64 HydrophobicContact CG2-CG 4.21Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 2.93Å; Q61-L64 WeakPolarHBondContact O-CB 3.36Å; Q61-L64 PolarHBondContact O-N 3.16Å; L64-T66 PolarHBondContact O-N 2.94Å; L64-V67 PolarHBondContact O-N 3.47Å; L64-V67 VanDerWaalsContact O-N 3.14Å; L64-G68 PolarHBondContact O-N 3.49Å; L64-Y74 HydrophobicContact CD1-CE2 4.19Å; L64-Y74 HydrophobicContact CD2-CD2 3.43Å; L64-Y74 VanDerWaalsContact CD2-CD2 3.43Å; L64-Y74 HydrophobicContact CD2-CE2 3.17Å; L64-Y74 HydrophobicContact CG-CE2 4.25Å; L64-L77 HydrophobicContact CD2-CD2 4.09Å
65	E	79.6	Confident	80	Confident	132 Å²	132	98 Å²	98	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-59.1	-33.2	175	-73.1	167.6	-173.1	0	0	112.4	Q61	Q61-E65 WeakPolarHBondContact O-CG 3.24Å; Q61-E65 PolarHBondContact O-N 3.49Å
66	T	79.6	Confident	80	Confident	119 Å²	119	96.7 Å²	96.7	73%	0.73	52%	0.516	S	S	*	.	H	α-helix	trans	-74.2	-29.8	179.4	-47.1	0	0	0	0	112.3	K62 A63 L64	K62-T66 PolarHBondContact O-N 2.89Å; K62-T66 PolarHBondContact O-OG1 3.24Å; A63-T66 WeakPolarHBondContact O-CB 3.41Å; A63-T66 PolarHBondContact O-N 3.35Å; L64-T66 PolarHBondContact O-N 2.94Å
67	V	77.2	Confident	80.1	Confident	31 Å²	31	95.2 Å²	95.2	19%	0.188	51%	0.506	C	S	.	.	H	α-helix	trans	-77.1	-26.5	-178.8	167.1	0	0	0	0	112.5	A63 L64 K73 L77	A63-V67 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.47Å; L64-V67 VanDerWaalsContact O-N 3.14Å; V67-K73 HydrophobicContact CG1-CB 3.4Å; V67-K73 VanDerWaalsContact CG1-CB 3.4Å; V67-L77 HydrophobicContact CG2-CB 4.27Å; V67-L77 HydrophobicContact CG2-CD2 3.74Å; V67-L77 HydrophobicContact CG2-CG 4.41Å
68	G	73.5	Confident	80.1	Confident	47 Å²	47	91 Å²	91	49%	0.485	49%	0.494	S	S	.	.			trans	75.6	-164.1	-178.3	0	0	0	0	0	113.1	L64 D70	L64-G68 PolarHBondContact O-N 3.49Å; G68-D70 PolarHBondContact O-N 2.8Å
69	S	74.1	Confident	80.2	Confident	122 Å²	122	89.9 Å²	89.9	85%	0.853	49%	0.494	S	S	*	.	S	Bend	trans	-85.2	24.2	-178.2	74.5	0	0	0	0	114.1	D71	S69-D71 PolarHBondContact O-N 2.89Å
70	D	79.6	Confident	80.3	Confident	58 Å²	58	94.4 Å²	94.4	31%	0.31	50%	0.498	S	S	.	.			trans	-91.3	102.2	-177.8	-170.9	-13.1	0	0	0	109.2	G68 E72 K73 Y74	G68-D70 PolarHBondContact O-N 2.8Å; D70-E72 PolarHBondContact O-N 3.39Å; D70-E72 PolarHBondContact OD1-N 2.89Å; D70-K73 HydrophobicContact CB-CB 4.19Å; D70-K73 HydrophobicContact CB-CD 4.09Å; D70-K73 HydrophobicContact CB-CG 4.19Å; D70-K73 PolarHBondContact O-N 3.34Å; D70-K73 VanDerWaalsContact O-N 3.13Å; D70-K73 WeakPolarHBondContact OD2-CD 3.47Å; D70-K73 VanDerWaalsContact OD2-CE 3.24Å; D70-K73 WeakPolarHBondContact OD2-CE 3.42Å; D70-K73 WeakPolarHBondContact OD2-CG 3.34Å; D70-K73 IonicContact OD2-NZ 2.71Å; D70-K73 PolarHBondContact OD2-NZ 2.74Å; D70-Y74 PolarHBondContact O-N 3.49Å
71	D	81.5	Confident	80.6	Confident	132 Å²	132	93.3 Å²	93.3	71%	0.706	49%	0.493	S	S	*	.	H	α-helix	trans	-56.2	-36.1	-174.1	-71.5	-20.1	0	0	0	112.5	S69 Y74 E75	S69-D71 PolarHBondContact O-N 2.89Å; D71-Y74 WeakPolarHBondContact O-CB 3.44Å; D71-Y74 PolarHBondContact O-N 3.01Å; D71-E75 PolarHBondContact O-N 3Å
72	E	82.4	Confident	80.8	Confident	162 Å²	162	94.8 Å²	94.8	76%	0.757	50%	0.497	S	S	*	.	H	α-helix	trans	-67.9	-42.6	179.2	-67	-171.5	170.7	0	0	111.7	D70 Y74 E75 A76	D70-E72 PolarHBondContact O-N 3.39Å; D70-E72 PolarHBondContact OD1-N 2.89Å; E72-Y74 VanDerWaalsContact C-N 3.32Å; E72-E75 PolarHBondContact O-N 3.15Å; E72-A76 WeakPolarHBondContact O-CB 3.24Å; E72-A76 PolarHBondContact O-N 3.15Å
73	K	82.1	Confident	81	Confident	120 Å²	120	91.5 Å²	91.5	52%	0.522	48%	0.484	S	S	.	.	H	α-helix	trans	-69.8	-33.7	176.7	-66.3	-177.5	-176.1	122.5	0	111.5	V67 D70 A76 L77	V67-K73 HydrophobicContact CG1-CB 3.4Å; V67-K73 VanDerWaalsContact CG1-CB 3.4Å; D70-K73 HydrophobicContact CB-CB 4.19Å; D70-K73 HydrophobicContact CB-CD 4.09Å; D70-K73 HydrophobicContact CB-CG 4.19Å; D70-K73 PolarHBondContact O-N 3.34Å; D70-K73 VanDerWaalsContact O-N 3.13Å; D70-K73 WeakPolarHBondContact OD2-CD 3.47Å; D70-K73 VanDerWaalsContact OD2-CE 3.24Å; D70-K73 WeakPolarHBondContact OD2-CE 3.42Å; D70-K73 WeakPolarHBondContact OD2-CG 3.34Å; D70-K73 IonicContact OD2-NZ 2.71Å; D70-K73 PolarHBondContact OD2-NZ 2.74Å; K73-A76 PolarHBondContact O-N 2.74Å; K73-L77 WeakPolarHBondContact O-CB 3.38Å; K73-L77 PolarHBondContact O-N 3.15Å
74	Y	80.2	Confident	81.4	Confident	107 Å²	107	94 Å²	94	42%	0.42	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-49.8	175.1	179	-85.6	0	0	0	110.9	L64 D70 D71 E72 A76 L77 S78	L64-Y74 HydrophobicContact CD1-CE2 4.19Å; L64-Y74 HydrophobicContact CD2-CD2 3.43Å; L64-Y74 VanDerWaalsContact CD2-CD2 3.43Å; L64-Y74 HydrophobicContact CD2-CE2 3.17Å; L64-Y74 HydrophobicContact CG-CE2 4.25Å; D70-Y74 PolarHBondContact O-N 3.49Å; D71-Y74 WeakPolarHBondContact O-CB 3.44Å; D71-Y74 PolarHBondContact O-N 3.01Å; E72-Y74 VanDerWaalsContact C-N 3.32Å; Y74-A76 PolarHBondContact O-N 3.35Å; Y74-L77 PolarHBondContact O-N 3.5Å; Y74-S78 WeakPolarHBondContact O-CB 3.29Å; Y74-S78 PolarHBondContact O-N 3.3Å
75	E	82.2	Confident	81.8	Confident	121 Å²	121	93.8 Å²	93.8	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-41.6	177.6	-78.6	-62.7	159.5	0	0	112.1	D71 E72 L77 S78 L79	D71-E75 PolarHBondContact O-N 3Å; E72-E75 PolarHBondContact O-N 3.15Å; E75-L77 PolarHBondContact O-N 2.87Å; E75-S78 PolarHBondContact O-N 2.87Å; E75-L79 WeakPolarHBondContact O-CB 3.3Å; E75-L79 PolarHBondContact O-N 3.38Å
76	A	83.5	Confident	82.1	Confident	63 Å²	63	90.4 Å²	90.4	52%	0.521	48%	0.483	S	S	.	.	H	α-helix	trans	-61.6	-41.9	175.9	0	0	0	0	0	112.5	E72 K73 Y74 R80	E72-A76 WeakPolarHBondContact O-CB 3.24Å; E72-A76 PolarHBondContact O-N 3.15Å; K73-A76 PolarHBondContact O-N 2.74Å; Y74-A76 PolarHBondContact O-N 3.35Å; A76-R80 WeakPolarHBondContact O-CB 3.43Å; A76-R80 PolarHBondContact O-N 3.08Å
77	L	83.5	Confident	82.4	Confident	35 Å²	35	88.9 Å²	88.9	18%	0.183	47%	0.467	C	S	.	.	H	α-helix	trans	-66.2	-46.3	175.9	-177.7	75.3	0	0	0	111.2	A63 L64 V67 K73 Y74 E75 L79 R80 L81	A63-L77 HydrophobicContact CB-CD2 3.91Å; L64-L77 HydrophobicContact CD2-CD2 4.09Å; V67-L77 HydrophobicContact CG2-CB 4.27Å; V67-L77 HydrophobicContact CG2-CD2 3.74Å; V67-L77 HydrophobicContact CG2-CG 4.41Å; K73-L77 WeakPolarHBondContact O-CB 3.38Å; K73-L77 PolarHBondContact O-N 3.15Å; Y74-L77 PolarHBondContact O-N 3.5Å; E75-L77 PolarHBondContact O-N 2.87Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.46Å; L77-R80 PolarHBondContact O-N 3.49Å; L77-L81 HydrophobicContact CD1-CD1 4.5Å; L77-L81 HydrophobicContact CD1-CG 4.46Å; L77-L81 HydrophobicContact CD2-CD1 4.31Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CG 3.02Å; L77-L81 PolarHBondContact O-N 3.13Å
78	S	82.9	Confident	82.8	Confident	56 Å²	56	91.3 Å²	91.3	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-56.3	-46	178	175.9	0	0	0	0	111.4	Y74 E75 K82	Y74-S78 WeakPolarHBondContact O-CB 3.29Å; Y74-S78 PolarHBondContact O-N 3.3Å; E75-S78 PolarHBondContact O-N 2.87Å; S78-K82 WeakPolarHBondContact O-CB 3.43Å; S78-K82 PolarHBondContact O-N 2.98Å; S78-K82 VanDerWaalsContact O-N 3.09Å
79	L	84.4	Confident	83.4	Confident	98 Å²	98	95.8 Å²	95.8	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-49.6	176.6	-168.7	152.8	0	0	0	110.8	E75 L77 L81 K82 E83	E75-L79 WeakPolarHBondContact O-CB 3.3Å; E75-L79 PolarHBondContact O-N 3.38Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.46Å; L79-L81 PolarHBondContact O-N 2.91Å; L79-K82 WeakPolarHBondContact O-CB 3.31Å; L79-K82 PolarHBondContact O-N 3.28Å; L79-K82 VanDerWaalsContact O-N 3.13Å; L79-E83 HydrophobicContact CD2-CG 4Å; L79-E83 WeakPolarHBondContact CD2-OE1 3.49Å; L79-E83 WeakPolarHBondContact O-CG 3.38Å; L79-E83 PolarHBondContact O-N 2.82Å
80	R	85.1	Confident	83.8	Confident	155 Å²	155	90.2 Å²	90.2	59%	0.585	46%	0.458	S	S	*	.	H	α-helix	trans	-58.5	-46.2	178.7	-178.6	-179.5	170.6	168.8	3.1	112.8	A76 L77 K82 E83 E84	A76-R80 WeakPolarHBondContact O-CB 3.43Å; A76-R80 PolarHBondContact O-N 3.08Å; L77-R80 PolarHBondContact O-N 3.49Å; R80-K82 VanDerWaalsContact C-N 3.25Å; R80-K82 PolarHBondContact O-N 3.45Å; R80-E83 PolarHBondContact O-N 2.72Å; R80-E83 VanDerWaalsContact O-N 3.16Å; R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 IonicContact CZ-OE1 3.64Å; R80-E84 IonicContact NE-OE1 2.89Å; R80-E84 PolarHBondContact NE-OE1 2.92Å; R80-E84 IonicContact NH2-OE1 3.49Å; R80-E84 PolarHBondContact NH2-OE1 3.29Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.04Å
81	L	86	Confident	84.1	Confident	56 Å²	56	90.7 Å²	90.7	29%	0.293	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-36	178.1	-72	173.8	0	0	0	111.8	I60 L77 L79 A85	I60-L81 HydrophobicContact CG1-CD1 4.44Å; L77-L81 HydrophobicContact CD1-CD1 4.5Å; L77-L81 HydrophobicContact CD1-CG 4.46Å; L77-L81 HydrophobicContact CD2-CD1 4.31Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CG 3.02Å; L77-L81 PolarHBondContact O-N 3.13Å; L79-L81 PolarHBondContact O-N 2.91Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.15Å
82	K	84.5	Confident	84.4	Confident	144 Å²	144	86.4 Å²	86.4	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-66.8	-41.8	174.9	-175.2	-179.5	178.2	-175	0	111.6	S78 L79 R80 A85 L86	S78-K82 WeakPolarHBondContact O-CB 3.43Å; S78-K82 PolarHBondContact O-N 2.98Å; S78-K82 VanDerWaalsContact O-N 3.09Å; L79-K82 WeakPolarHBondContact O-CB 3.31Å; L79-K82 PolarHBondContact O-N 3.28Å; L79-K82 VanDerWaalsContact O-N 3.13Å; R80-K82 VanDerWaalsContact C-N 3.25Å; R80-K82 PolarHBondContact O-N 3.45Å; K82-A85 PolarHBondContact O-N 2.94Å; K82-L86 HydrophobicContact CG-CD1 4.38Å; K82-L86 WeakPolarHBondContact O-CB 3.43Å; K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.45Å; K82-L86 PolarHBondContact O-N 3.09Å
83	E	86.1	Confident	84.7	Confident	79 Å²	79	80.8 Å²	80.8	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-48.5	176.1	-65.8	-171.3	152.5	0	0	111.7	L79 R80 A85 L86 Q87 F92	L79-E83 HydrophobicContact CD2-CG 4Å; L79-E83 WeakPolarHBondContact CD2-OE1 3.49Å; L79-E83 WeakPolarHBondContact O-CG 3.38Å; L79-E83 PolarHBondContact O-N 2.82Å; R80-E83 PolarHBondContact O-N 2.72Å; R80-E83 VanDerWaalsContact O-N 3.16Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 2.98Å; E83-L86 PolarHBondContact O-N 2.69Å; E83-L86 VanDerWaalsContact O-N 3.13Å; E83-Q87 WeakPolarHBondContact O-CB 3.28Å; E83-Q87 PolarHBondContact O-N 2.94Å; E83-F92 HydrophobicContact CB-CD2 3.93Å; E83-F92 HydrophobicContact CB-CE2 3.61Å; E83-F92 HydrophobicContact CG-CD2 4.2Å; E83-F92 HydrophobicContact CG-CE2 3.57Å
84	E	84.5	Confident	85.1	Confident	83 Å²	83	76.3 Å²	76.3	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-42.2	176.6	-71.3	177.4	-174.2	0	0	111.3	R80 L86 Q87 A88	R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 IonicContact CZ-OE1 3.64Å; R80-E84 IonicContact NE-OE1 2.89Å; R80-E84 PolarHBondContact NE-OE1 2.92Å; R80-E84 IonicContact NH2-OE1 3.49Å; R80-E84 PolarHBondContact NH2-OE1 3.29Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.04Å; E84-L86 PolarHBondContact O-N 3.42Å; E84-Q87 PolarHBondContact O-N 3.27Å; E84-A88 WeakPolarHBondContact O-CB 3.49Å; E84-A88 PolarHBondContact O-N 3.34Å
85	A	85.5	Confident	85.6	Confident	50 Å²	50	77.9 Å²	77.9	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-37.3	176.4	0	0	0	0	0	112.8	L81 K82 E83 K89	L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.15Å; K82-A85 PolarHBondContact O-N 2.94Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 2.98Å; A85-K89 WeakPolarHBondContact O-CG 3.37Å; A85-K89 PolarHBondContact O-N 3.32Å
86	L	86.3	Confident	86.1	Confident	61 Å²	61	72.3 Å²	72.3	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-70	-37.5	174.3	-73.2	172.7	0	0	0	111.2	K82 E83 E84 K89 G90 K91 F92	K82-L86 HydrophobicContact CG-CD1 4.38Å; K82-L86 WeakPolarHBondContact O-CB 3.43Å; K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.45Å; K82-L86 PolarHBondContact O-N 3.09Å; E83-L86 PolarHBondContact O-N 2.69Å; E83-L86 VanDerWaalsContact O-N 3.13Å; E84-L86 PolarHBondContact O-N 3.42Å; L86-K89 CarbonylContact O-C 3.57Å; L86-K89 PolarHBondContact O-N 3.38Å; L86-G90 PolarHBondContact O-N 3.2Å; L86-G90 VanDerWaalsContact O-N 3.1Å; L86-K91 HydrophobicContact CD2-CB 4.05Å; L86-K91 PolarHBondContact O-N 3.03Å; L86-F92 HydrophobicContact CB-CB 3.97Å; L86-F92 HydrophobicContact CB-CD2 4.45Å; L86-F92 PolarHBondContact O-N 3.47Å
87	Q	85.6	Confident	86.5	Confident	86 Å²	86	69.3 Å²	69.3	40%	0.402	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-44.3	178.7	-170	176.6	11.3	0	0	110.5	E83 E84 K89 G90 F92	E83-Q87 WeakPolarHBondContact O-CB 3.28Å; E83-Q87 PolarHBondContact O-N 2.94Å; E84-Q87 PolarHBondContact O-N 3.27Å; Q87-K89 PolarHBondContact O-N 2.97Å; Q87-G90 PolarHBondContact O-N 3.25Å; Q87-F92 HydrophobicContact CB-CB 3.91Å; Q87-F92 HydrophobicContact CB-CG 4.38Å
88	A	84.8	Confident	86.8	Confident	82 Å²	82	73.5 Å²	73.5	68%	0.678	37%	0.37	S	S	*	.	H	α-helix	trans	-61.5	-29.6	174.4	0	0	0	0	0	113.1	E84 G90	E84-A88 WeakPolarHBondContact O-CB 3.49Å; E84-A88 PolarHBondContact O-N 3.34Å; A88-G90 VanDerWaalsContact C-N 3.33Å
89	K	85.7	Confident	87.1	Confident	141 Å²	141	73.4 Å²	73.4	61%	0.613	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.2	173.6	-72.6	179.6	-179.5	176.8	0	113.6	A85 L86 Q87 K91	A85-K89 WeakPolarHBondContact O-CG 3.37Å; A85-K89 PolarHBondContact O-N 3.32Å; L86-K89 CarbonylContact O-C 3.57Å; L86-K89 PolarHBondContact O-N 3.38Å; Q87-K89 PolarHBondContact O-N 2.97Å; K89-K91 VanDerWaalsContact C-N 3.32Å; K89-K91 HydrophobicContact CB-CG 4.23Å; K89-K91 PolarHBondContact O-N 3.37Å
90	G	83.8	Confident	87.4	Confident	5 Å²	5	69.1 Å²	69.1	5%	0.052	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	38.5	-174.1	0	0	0	0	0	112.7	L86 Q87 A88 N306 D307	L86-G90 PolarHBondContact O-N 3.2Å; L86-G90 VanDerWaalsContact O-N 3.1Å; Q87-G90 PolarHBondContact O-N 3.25Å; A88-G90 VanDerWaalsContact C-N 3.33Å; G90-N306 VanDerWaalsContact O-CB 3.23Å; G90-N306 WeakPolarHBondContact O-CB 3.28Å; G90-D307 PolarHBondContact O-N 2.97Å
91	K	86.2	Confident	87.2	Confident	68 Å²	68	68.1 Å²	68.1	30%	0.296	34%	0.341	S	S	.	.			trans	-125.9	-0.8	-179.9	-62.4	-168.9	178.8	-149.5	0	113.9	L86 K89 E308	L86-K91 HydrophobicContact CD2-CB 4.05Å; L86-K91 PolarHBondContact O-N 3.03Å; K89-K91 VanDerWaalsContact C-N 3.32Å; K89-K91 HydrophobicContact CB-CG 4.23Å; K89-K91 PolarHBondContact O-N 3.37Å; K91-E308 WeakPolarHBondContact CD-OE2 3.46Å; K91-E308 WeakPolarHBondContact CE-OE1 3.35Å; K91-E308 VanDerWaalsContact CE-OE2 3.22Å; K91-E308 WeakPolarHBondContact CE-OE2 3.44Å; K91-E308 IonicContact NZ-OE1 3.28Å; K91-E308 PolarHBondContact NZ-OE1 3.4Å; K91-E308 IonicContact NZ-OE2 3.65Å; K91-E308 PolarHBondContact NZ-OE2 2.91Å
92	F	86.8	Confident	87	Confident	43 Å²	43	70.8 Å²	70.8	19%	0.189	35%	0.35	C	S	.	.			trans	-65.8	135.7	-179.4	177.1	-106.7	0	0	0	111.3	E83 L86 Q87 A94	E83-F92 HydrophobicContact CB-CD2 3.93Å; E83-F92 HydrophobicContact CB-CE2 3.61Å; E83-F92 HydrophobicContact CG-CD2 4.2Å; E83-F92 HydrophobicContact CG-CE2 3.57Å; L86-F92 HydrophobicContact CB-CB 3.97Å; L86-F92 HydrophobicContact CB-CD2 4.45Å; L86-F92 PolarHBondContact O-N 3.47Å; Q87-F92 HydrophobicContact CB-CB 3.91Å; Q87-F92 HydrophobicContact CB-CG 4.38Å; F92-A94 HydrophobicContact CE1-CB 4.14Å; F92-A94 HydrophobicContact CZ-CB 3.87Å
93	L	89.7	Confident	87.1	Confident	43 Å²	43	65.2 Å²	65.2	23%	0.225	33%	0.327	C	S	.	.			trans	-149.3	107.4	178.1	-168.9	84.8	0	0	0	109.5	V305 G367 T368 D369 L385	L93-V305 HydrophobicContact CD1-CG1 3.6Å; L93-G367 WeakPolarHBondContact CA-O 3.39Å; L93-T368 WeakPolarHBondContact CD1-O 3.23Å; L93-D369 HydrophobicContact CD2-CB 4.35Å; L93-D369 HydrophobicContact CG-CB 4.5Å; L93-L385 HydrophobicContact CD1-CD2 4.13Å; L93-L385 HydrophobicContact CD2-CD2 3.93Å
94	A	90.7	Very high	87	Confident	27 Å²	27	63.6 Å²	63.6	22%	0.223	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-85.8	144.6	172.2	0	0	0	0	0	111.1	F92 F96 G367 T368 D369	F92-A94 HydrophobicContact CE1-CB 4.14Å; F92-A94 HydrophobicContact CZ-CB 3.87Å; A94-F96 PolarHBondContact O-N 2.89Å; A94-G367 PolarHBondContact N-O 2.85Å; A94-T368 CarbonylContact O-C 3.59Å; A94-T368 VanDerWaalsContact O-CA 3.3Å; A94-T368 WeakPolarHBondContact O-CA 3.29Å; A94-D369 PolarHBondContact O-N 3.43Å
95	K	90.7	Very high	87	Confident	140 Å²	140	65.8 Å²	65.8	61%	0.609	33%	0.329	S	S	*	.			trans	-78.5	110.8	169.1	-66.4	-177.2	179.4	179.1	0	108.4	H98	K95-H98 PolarHBondContact O-CE1 3.45Å
96	F	92	Very high	87.1	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.013	35%	0.349	C	S	.	.			trans	-128.9	-30.4	-178.1	179.3	-105.5	0	0	0	112.1	A94 H98 Q99 I100 L365 T368 D369 L370 R430 V463	A94-F96 PolarHBondContact O-N 2.89Å; F96-H98 PolarHBondContact O-N 2.81Å; F96-Q99 HydrophobicContact CD2-CB 4.45Å; F96-Q99 HydrophobicContact CD2-CG 4.49Å; F96-Q99 HydrophobicContact CE2-CB 4.36Å; F96-Q99 VanDerWaalsContact O-CB 3.3Å; F96-Q99 WeakPolarHBondContact O-CB 2.92Å; F96-Q99 PolarHBondContact O-N 3.32Å; F96-I100 HydrophobicContact CD1-CD1 4.47Å; F96-I100 HydrophobicContact CE1-CD1 3.98Å; F96-I100 HydrophobicContact CE1-CG1 4.2Å; F96-L365 HydrophobicContact CD1-CD2 3.59Å; F96-L365 HydrophobicContact CE1-CD2 3.6Å; F96-L365 HydrophobicContact CG-CD2 4.38Å; F96-L365 HydrophobicContact CZ-CD2 4.42Å; F96-T368 HydrophobicContact CB-CG2 3.9Å; F96-T368 HydrophobicContact CG-CG2 4.32Å; F96-D369 PolarHBondContact N-OD1 3.05Å; F96-L370 HydrophobicContact CD1-CB 4.27Å; F96-L370 HydrophobicContact CD1-CD2 4.11Å; F96-L370 HydrophobicContact CE1-CD2 4.08Å; F96-R430 HydrophobicContact CE1-CB 4.49Å; F96-R430 HydrophobicContact CZ-CB 3.99Å; F96-R430 HydrophobicContact CZ-CG 4.29Å; F96-V463 HydrophobicContact CE2-CG1 3.86Å; F96-V463 HydrophobicContact CE2-CG2 4.3Å; F96-V463 HydrophobicContact CZ-CG1 4.06Å; F96-V463 HydrophobicContact CZ-CG2 3.68Å
97	A	91.5	Very high	87.4	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.008	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-54.9	-29.4	-174.2	0	0	0	0	0	114.3	Q99 I100 D369 L370 R384 I410	A97-Q99 PolarHBondContact O-N 3.08Å; A97-I100 PolarHBondContact O-N 3.47Å; A97-D369 WeakPolarHBondContact CB-OD1 3.47Å; A97-D369 PolarHBondContact N-OD1 2.85Å; A97-L370 HydrophobicContact CB-CB 4.4Å; A97-L370 HydrophobicContact CB-CD1 4.14Å; A97-R384 HydrophobicContact CB-CB 3.92Å; A97-R384 HydrophobicContact CB-CG 3.79Å; A97-I410 HydrophobicContact CB-CD1 3.89Å
98	H	89	Confident	87.8	Confident	122 Å²	122	69.9 Å²	69.9	57%	0.565	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16.6	177.3	66.9	-86	0	0	0	114.1	K95 F96 I100	K95-H98 PolarHBondContact O-CE1 3.45Å; F96-H98 PolarHBondContact O-N 2.81Å; H98-I100 VanDerWaalsContact C-N 3.35Å
99	Q	90.2	Very high	88.3	Confident	54 Å²	54	68.5 Å²	68.5	25%	0.252	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-82.6	-15.1	-179.5	-58.7	-178.9	0.6	0	0	112.3	F96 A97 K101 V463 S464	F96-Q99 HydrophobicContact CD2-CB 4.45Å; F96-Q99 HydrophobicContact CD2-CG 4.49Å; F96-Q99 HydrophobicContact CE2-CB 4.36Å; F96-Q99 VanDerWaalsContact O-CB 3.3Å; F96-Q99 WeakPolarHBondContact O-CB 2.92Å; F96-Q99 PolarHBondContact O-N 3.32Å; A97-Q99 PolarHBondContact O-N 3.08Å; Q99-K101 PolarHBondContact O-N 3.03Å; Q99-V463 HydrophobicContact CB-CG1 3.9Å; Q99-S464 WeakPolarHBondContact O-CB 3.46Å; Q99-S464 PolarHBondContact O-N 3.4Å; Q99-S464 PolarHBondContact O-OG 2.79Å
100	I	90.2	Very high	88.8	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.046	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-85.2	118.3	178.9	-61.8	166.3	0	0	0	109	F96 A97 H98 L370 L413	F96-I100 HydrophobicContact CD1-CD1 4.47Å; F96-I100 HydrophobicContact CE1-CD1 3.98Å; F96-I100 HydrophobicContact CE1-CG1 4.2Å; A97-I100 PolarHBondContact O-N 3.47Å; H98-I100 VanDerWaalsContact C-N 3.35Å; I100-L370 HydrophobicContact CD1-CD1 3.51Å; I100-L370 HydrophobicContact CD1-CD2 3.2Å; I100-L370 HydrophobicContact CD1-CG 3.94Å; I100-L413 HydrophobicContact CB-CD1 3.91Å; I100-L413 HydrophobicContact CG2-CD1 3.48Å; I100-L413 VanDerWaalsContact CG2-CD1 3.48Å; I100-L413 HydrophobicContact CG2-CD2 3.95Å; I100-L413 HydrophobicContact CG2-CG 4.41Å
101	K	82	Confident	89.4	Confident	133 Å²	133	64.7 Å²	64.7	58%	0.578	30%	0.304	S	S	*	.			trans	-89	-61.3	-173.9	-66.9	-177.3	-179.9	165.2	0	113.3	Q99 N462	Q99-K101 PolarHBondContact O-N 3.03Å; K101-N462 PolarHBondContact N-O 3.34Å
102	F	82	Confident	89.9	Confident	113 Å²	113	69.1 Å²	69.1	50%	0.496	32%	0.319	S	S	.	.			trans	-151	158	-175.8	66.8	-87.7	0	0	0	110.5	N104	F102-N104 HydrophobicContact CE2-CB 4.28Å
103	L	84.8	Confident	90.2	Very high	26 Å²	26	68.3 Å²	68.3	14%	0.136	32%	0.323	C	S	.	.			trans	-111.8	120.8	174.2	-57.3	169.2	0	0	0	107.8	F382 L413 I415 I459 L461	L103-F382 HydrophobicContact CD1-CD2 3.63Å; L103-F382 HydrophobicContact CD1-CE2 3.25Å; L103-F382 HydrophobicContact CD1-CZ 3.95Å; L103-F382 HydrophobicContact CD2-CZ 4.42Å; L103-F382 HydrophobicContact CG-CE2 4.48Å; L103-L413 HydrophobicContact CD1-CB 4.22Å; L103-L413 HydrophobicContact CD1-CD2 4.3Å; L103-L413 HydrophobicContact CG-CD2 3.88Å; L103-I415 HydrophobicContact CB-CD1 3.87Å; L103-I415 HydrophobicContact CB-CG1 4.27Å; L103-I415 HydrophobicContact CD1-CD1 3.84Å; L103-I415 HydrophobicContact CD1-CG1 3.83Å; L103-I415 HydrophobicContact CG-CD1 4.4Å; L103-I459 HydrophobicContact CD2-CG2 3.87Å; L103-L461 HydrophobicContact CD2-CD2 4.38Å
104	N	84.2	Confident	90.4	Very high	45 Å²	45	66.9 Å²	66.9	24%	0.241	32%	0.315	C	S	.	.			trans	-88.3	119.1	173.8	-169.1	-5.6	0	0	0	109.5	F102 E106 E107	F102-N104 HydrophobicContact CE2-CB 4.28Å; N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 PolarHBondContact OD1-N 2.75Å; N104-E106 VanDerWaalsContact OD1-N 3.08Å; N104-E107 HydrophobicContact CB-CB 4.15Å; N104-E107 VanDerWaalsContact CB-CD 3.45Å; N104-E107 HydrophobicContact CB-CG 3.87Å; N104-E107 WeakPolarHBondContact CB-OE1 3.42Å; N104-E107 PolarHBondContact ND2-OE1 3.42Å; N104-E107 PolarHBondContact O-N 2.84Å
105	K	85.4	Confident	90.5	Very high	130 Å²	130	76.5 Å²	76.5	57%	0.565	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.2	-28	178.7	-167.8	178.6	178.7	174.7	0	112	E107 I108 S416	K105-E107 VanDerWaalsContact C-N 3.3Å; K105-I108 HydrophobicContact CB-CD1 4.41Å; K105-I108 HydrophobicContact CG-CD1 3.91Å; K105-I108 WeakPolarHBondContact O-CG1 3.08Å; K105-I108 PolarHBondContact O-N 3.04Å; K105-S416 PolarHBondContact NZ-O 3.36Å
106	E	87.6	Confident	90.7	Very high	177 Å²	177	75 Å²	75	83%	0.827	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-74.2	-22.6	-178.9	-60	-179	171.3	0	0	112.6	N104 I108	N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 PolarHBondContact OD1-N 2.75Å; N104-E106 VanDerWaalsContact OD1-N 3.08Å; E106-I108 VanDerWaalsContact C-N 3.31Å
107	E	92	Very high	90.9	Very high	76 Å²	76	75 Å²	75	36%	0.355	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-86.8	-0.9	178.1	-66.8	166.1	-156.9	0	0	112.9	N104 K105 I109 P460 N462	N104-E107 HydrophobicContact CB-CB 4.15Å; N104-E107 VanDerWaalsContact CB-CD 3.45Å; N104-E107 HydrophobicContact CB-CG 3.87Å; N104-E107 WeakPolarHBondContact CB-OE1 3.42Å; N104-E107 PolarHBondContact ND2-OE1 3.42Å; N104-E107 PolarHBondContact O-N 2.84Å; K105-E107 VanDerWaalsContact C-N 3.3Å; E107-I109 PolarHBondContact O-N 3.23Å; E107-P460 HydrophobicContact CB-CG 4.01Å; E107-P460 WeakPolarHBondContact O-CG 3.45Å; E107-N462 PolarHBondContact OE2-ND2 2.69Å
108	I	94.6	Very high	91.2	Very high	29 Å²	29	74.9 Å²	74.9	15%	0.149	34%	0.339	C	S	.	.			trans	-70.4	122.6	179.8	-58.1	176.6	0	0	0	109.6	K105 E106 I415 L417 L457 L458 I459	K105-I108 HydrophobicContact CB-CD1 4.41Å; K105-I108 HydrophobicContact CG-CD1 3.91Å; K105-I108 WeakPolarHBondContact O-CG1 3.08Å; K105-I108 PolarHBondContact O-N 3.04Å; E106-I108 VanDerWaalsContact C-N 3.31Å; I108-I415 HydrophobicContact CD1-CD1 3.9Å; I108-I415 HydrophobicContact CD1-CG2 3.98Å; I108-L417 HydrophobicContact CD1-CD2 3.91Å; I108-L457 HydrophobicContact CG2-CB 4Å; I108-L457 HydrophobicContact CG2-CD2 3.66Å; I108-L457 HydrophobicContact CG2-CG 4.32Å; I108-L458 WeakPolarHBondContact CA-O 3.3Å; I108-I459 HydrophobicContact CD1-CG1 4.25Å; I108-I459 HydrophobicContact CG1-CG1 4.23Å; I108-I459 HydrophobicContact CG2-CG1 4.36Å
109	I	95.6	Very high	91.6	Very high	53 Å²	53	69.1 Å²	69.1	27%	0.272	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.4	-179.6	-59.9	164.7	0	0	0	109.2	E107 L111 M147 L457 L458	E107-I109 PolarHBondContact O-N 3.23Å; I109-L111 HydrophobicContact CG2-CD2 3.97Å; I109-L111 HydrophobicContact CG2-CG 4.41Å; I109-M147 HydrophobicContact CD1-CE 3.66Å; I109-M147 HydrophobicContact CD1-CG 4.16Å; I109-M147 HydrophobicContact CD1-SD 4.09Å; I109-M147 HydrophobicContact CG2-CB 4.45Å; I109-M147 HydrophobicContact CG2-CG 4.41Å; I109-M147 HydrophobicContact CG2-SD 4.46Å; I109-L457 CarbonylContact O-C 3.54Å; I109-L457 VanDerWaalsContact O-CA 3.26Å; I109-L457 WeakPolarHBondContact O-CA 3.45Å; I109-L458 HydrophobicContact CB-CB 4.32Å; I109-L458 PolarHBondContact N-O 3.25Å; I109-L458 PolarHBondContact O-N 3.03Å
110	L	95.7	Very high	91.9	Very high	56 Å²	56	67 Å²	67	29%	0.293	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.7	175.8	175.6	60.4	0	0	0	111.7	R112 L457	L110-R112 HydrophobicContact CD1-CG 4.44Å; L110-R112 HydrophobicContact CD2-CG 4.13Å; L110-R112 HydrophobicContact CG-CG 3.97Å; L110-L457 HydrophobicContact CB-CD2 3.66Å; L110-L457 HydrophobicContact CD1-CD2 3.61Å; L110-L457 HydrophobicContact CD1-CG 4.03Å; L110-L457 HydrophobicContact CG-CD2 4.14Å
111	L	97	Very high	92.3	Very high	10 Å²	10	67.2 Å²	67.2	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.2	174.6	-57.3	-177.2	0	0	0	110.3	I109 W142 M147 G455 L456 L458	I109-L111 HydrophobicContact CG2-CD2 3.97Å; I109-L111 HydrophobicContact CG2-CG 4.41Å; L111-W142 HydrophobicContact CB-CD2 4.28Å; L111-W142 HydrophobicContact CB-CE3 3.84Å; L111-W142 HydrophobicContact CB-CH2 4.03Å; L111-W142 HydrophobicContact CB-CZ2 4.45Å; L111-W142 HydrophobicContact CB-CZ3 3.7Å; L111-W142 HydrophobicContact CD1-CB 4.25Å; L111-W142 HydrophobicContact CD1-CD2 4.09Å; L111-W142 HydrophobicContact CD1-CE3 3.94Å; L111-W142 HydrophobicContact CD1-CG 4.24Å; L111-W142 HydrophobicContact CG-CE3 4.35Å; L111-M147 HydrophobicContact CD2-CB 4.09Å; L111-M147 WeakPolarHBondContact CD2-O 3.33Å; L111-G455 WeakPolarHBondContact O-CA 3.49Å; L111-L456 HydrophobicContact CB-CB 4.18Å; L111-L456 WeakPolarHBondContact CB-O 3.29Å; L111-L456 HydrophobicContact CD1-CD2 3.94Å; L111-L456 HydrophobicContact CD1-CG 4.38Å; L111-L456 PolarHBondContact N-O 2.96Å; L111-L456 PolarHBondContact O-N 3.15Å; L111-L458 HydrophobicContact CD1-CD1 3.9Å; L111-L458 HydrophobicContact CD1-CG 4.38Å
112	R	95.4	Very high	93.1	Very high	162 Å²	162	61.5 Å²	61.5	61%	0.611	28%	0.281	S	S	*	.			trans	-97.9	134.6	-179.3	-65.4	-175.2	176.9	166	1.4	111.6	L110 W142	L110-R112 HydrophobicContact CD1-CG 4.44Å; L110-R112 HydrophobicContact CD2-CG 4.13Å; L110-R112 HydrophobicContact CG-CG 3.97Å; R112-W142 WeakPolarHBondContact O-CH2 3.19Å
113	G	92.9	Very high	93.8	Very high	25 Å²	25	56.9 Å²	56.9	26%	0.258	26%	0.261	S	S	.	.			trans	-171.7	-37.1	178.4	0	0	0	0	0	114.4	I140	G113-I140 VanDerWaalsContact C-CD1 3.49Å
114	H	95.3	Very high	94.4	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.065	26%	0.256	C	S	.	.			trans	-73.7	140.8	175.6	-70.8	-78.3	0	0	0	111.9	K116 V118 T132 D136 S138	H114-K116 WeakPolarHBondContact CB-O 3.46Å; H114-V118 HydrophobicContact CB-CG2 4.01Å; H114-T132 WeakPolarHBondContact NE2-CB 3.39Å; H114-T132 PolarHBondContact NE2-OG1 3.2Å; H114-D136 VanDerWaalsContact CA-OD2 3.31Å; H114-D136 WeakPolarHBondContact CA-OD2 3.37Å; H114-D136 IonicContact CG-OD2 3.13Å; H114-D136 IonicContact ND1-OD1 2.75Å; H114-D136 PolarHBondContact ND1-OD1 2.92Å; H114-D136 VanDerWaalsContact ND1-OD1 3.13Å; H114-D136 IonicContact ND1-OD2 2.69Å; H114-S138 PolarHBondContact CE1-O 3.16Å; H114-S138 PolarHBondContact CE1-OG 3.17Å; H114-S138 PolarHBondContact ND1-OG 3.03Å
115	R	93.4	Very high	94.7	Very high	229 Å²	229	58.5 Å²	58.5	86%	0.864	27%	0.267	S	S	*	.	S	Bend	trans	-82.5	-22	176.6	-60.6	-177.7	-177.9	-169	0.3	112.7	D136	R115-D136 HydrophobicContact CB-CB 4.18Å; R115-D136 PolarHBondContact N-OD2 3.07Å
116	K	94	Very high	95	Very high	108 Å²	108	55.8 Å²	55.8	47%	0.47	26%	0.259	S	S	.	.	S	Bend	trans	-128	179.6	177	-64.7	-172.4	176.5	-176.5	0	109.9	H114 V118 K135 D136 N454	H114-K116 WeakPolarHBondContact CB-O 3.46Å; K116-V118 PolarHBondContact O-N 2.54Å; K116-K135 HydrophobicContact CB-CB 3.82Å; K116-K135 HydrophobicContact CD-CB 4.27Å; K116-D136 HydrophobicContact CB-CB 4.13Å; K116-D136 HydrophobicContact CG-CB 4.2Å; K116-N454 WeakPolarHBondContact O-CB 3.42Å
117	S	95.3	Very high	95.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	22%	0.219	C	C	.	.			trans	-48.8	132.4	178	-62.2	0	0	0	0	112.5	G134 K135 G438 Q439 E440 N454	S117-G134 WeakPolarHBondContact O-CA 3.26Å; S117-K135 PolarHBondContact O-N 2.99Å; S117-G438 WeakPolarHBondContact OG-CA 3.24Å; S117-Q439 PolarHBondContact OG-N 3.18Å; S117-Q439 VanDerWaalsContact OG-N 3.14Å; S117-E440 WeakPolarHBondContact OG-CG 3.46Å; S117-E440 PolarHBondContact OG-N 2.73Å; S117-E440 PolarHBondContact OG-O 2.58Å; S117-N454 WeakPolarHBondContact CA-OD1 3.42Å; S117-N454 PolarHBondContact OG-OD1 3.21Å
118	V	97.6	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.1	168.8	-164.3	0	0	0	0	107.3	H114 K116 T132 G133 N422 C436	H114-V118 HydrophobicContact CB-CG2 4.01Å; K116-V118 PolarHBondContact O-N 2.54Å; V118-T132 HydrophobicContact CG1-CG2 4.21Å; V118-G133 WeakPolarHBondContact CG1-O 3.44Å; V118-N422 WeakPolarHBondContact O-CB 3.22Å; V118-N422 PolarHBondContact O-ND2 3.32Å; V118-C436 HydrophobicContact CB-CB 3.98Å; V118-C436 HydrophobicContact CG1-CB 3.93Å; V118-C436 WeakPolarHBondContact CG1-SG 3.34Å
119	S	97.4	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-31.1	-171.1	45.4	0	0	0	0	112.9	G133 I169	S119-G133 PolarHBondContact N-O 3.34Å; S119-G133 PolarHBondContact OG-O 3.26Å; S119-I169 VanDerWaalsContact CB-O 3.22Å; S119-I169 WeakPolarHBondContact CB-O 3.37Å; S119-I169 PolarHBondContact OG-O 3.27Å
120	C	98	Very high	95.7	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.4	-175.4	56.5	0	0	0	0	111.8	T132 G133 S171 I172 C436	C120-T132 WeakPolarHBondContact O-CA 3.34Å; C120-G133 PolarHBondContact N-O 3.23Å; C120-G133 PolarHBondContact O-N 3.23Å; C120-S171 VanDerWaalsContact SG-C 3.58Å; C120-I172 HydrophobicContact CB-CG2 3.91Å; C120-I172 VanDerWaalsContact SG-CG2 3.6Å; C120-C436 PolarHBondContact O-SG 2.91Å
121	V	98.3	Very high	95.8	Very high	15 Å²	15	44.5 Å²	44.5	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.8	178	57.4	0	0	0	0	110.1	F131 T132 A425 A434 C436 L456	V121-F131 CarbonylContact C-O 3.56Å; V121-F131 VanDerWaalsContact CA-O 3.27Å; V121-F131 WeakPolarHBondContact CA-O 3.49Å; V121-T132 HydrophobicContact CB-CG2 4.12Å; V121-T132 HydrophobicContact CG2-CG2 3.95Å; V121-A425 HydrophobicContact CG1-CB 3.94Å; V121-A434 HydrophobicContact CG1-CB 4.45Å; V121-A434 HydrophobicContact CG2-CB 4.06Å; V121-C436 WeakPolarHBondContact CB-SG 3.47Å; V121-C436 WeakPolarHBondContact CG1-SG 3.24Å; V121-L456 HydrophobicContact CG2-CD1 4.06Å
122	C	97.9	Very high	95.9	Very high	12 Å²	12	44 Å²	44	8%	0.081	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157	159.6	62.6	0	0	0	0	110.1	A130 F131 I172 I174	C122-A130 WeakPolarHBondContact O-CA 3.5Å; C122-F131 PolarHBondContact N-O 3.05Å; C122-F131 PolarHBondContact O-N 3.14Å; C122-I172 HydrophobicContact CB-CG2 4.47Å; C122-I174 HydrophobicContact CB-CG2 4.42Å
123	I	97.7	Very high	96	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.2	177.6	-64.1	165.7	0	0	0	108	F129 A130 L144 I174 A425 A434	I123-F129 CarbonylContact C-O 3.58Å; I123-F129 WeakPolarHBondContact CA-O 3.34Å; I123-A130 HydrophobicContact CG1-CB 4.18Å; I123-L144 HydrophobicContact CG1-CD1 4.27Å; I123-L144 HydrophobicContact CG2-CD1 3.78Å; I123-I174 WeakPolarHBondContact O-CG2 3.44Å; I123-A425 HydrophobicContact CD1-CB 4.11Å; I123-A425 WeakPolarHBondContact CD1-O 3.39Å; I123-A425 HydrophobicContact CG1-CB 4.28Å; I123-A434 HydrophobicContact CD1-CB 3.7Å; I123-A434 HydrophobicContact CG1-CB 4.31Å
124	S	96.2	Very high	96.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.021	16%	0.157	C	C	.	.			trans	-66.6	151.4	173.9	56.8	0	0	0	0	111.8	D126 G127 K128 F129	S124-D126 VanDerWaalsContact CB-OD1 3.26Å; S124-D126 WeakPolarHBondContact CB-OD1 3.12Å; S124-D126 PolarHBondContact O-N 3.1Å; S124-D126 VanDerWaalsContact O-N 3.13Å; S124-D126 PolarHBondContact OG-OD1 3.38Å; S124-G127 PolarHBondContact O-N 2.75Å; S124-K128 PolarHBondContact OG-N 3.17Å; S124-F129 PolarHBondContact N-O 2.92Å; S124-F129 PolarHBondContact OG-N 2.87Å; S124-F129 PolarHBondContact OG-O 2.57Å
125	E	92.2	Very high	96.2	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.2	-176.6	-167.3	61	-150.3	0	0	113.1	G127 S176 S428	E125-G127 VanDerWaalsContact C-N 3.28Å; E125-S176 VanDerWaalsContact CB-O 3.27Å; E125-S176 WeakPolarHBondContact CB-O 3.3Å; E125-S428 WeakPolarHBondContact O-CB 3.38Å; E125-S428 PolarHBondContact O-OG 3.4Å
126	D	91.4	Very high	96.3	Very high	73 Å²	73	25.7 Å²	25.7	39%	0.39	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.1	174	69	-10.1	0	0	0	114	S124 K128	S124-D126 VanDerWaalsContact CB-OD1 3.26Å; S124-D126 WeakPolarHBondContact CB-OD1 3.12Å; S124-D126 PolarHBondContact O-N 3.1Å; S124-D126 VanDerWaalsContact O-N 3.13Å; S124-D126 PolarHBondContact OG-OD1 3.38Å; D126-K128 HydrophobicContact CB-CG 4.29Å; D126-K128 PolarHBondContact O-N 3.1Å; D126-K128 PolarHBondContact OD1-N 2.69Å; D126-K128 VanDerWaalsContact OD1-N 3.15Å; D126-K128 WeakPolarHBondContact OD2-CD 3.43Å; D126-K128 WeakPolarHBondContact OD2-CG 3.46Å; D126-K128 IonicContact OD2-NZ 3.72Å
127	G	92.8	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	67.8	10.2	-179.8	0	0	0	0	0	114.6	S124 E125 L144 R431	S124-G127 PolarHBondContact O-N 2.75Å; E125-G127 VanDerWaalsContact C-N 3.28Å; G127-L144 WeakPolarHBondContact O-CD1 3.47Å; G127-R431 PolarHBondContact O-NH2 3.11Å
128	K	95.1	Very high	96.5	Very high	97 Å²	97	21.5 Å²	21.5	42%	0.422	11%	0.108	S	C	.	.	S	Bend	trans	-90.3	-30.9	-174.4	-62.3	-173.6	-165.8	162.6	0	113.9	S124 D126 L144	S124-K128 PolarHBondContact OG-N 3.17Å; D126-K128 HydrophobicContact CB-CG 4.29Å; D126-K128 PolarHBondContact O-N 3.1Å; D126-K128 PolarHBondContact OD1-N 2.69Å; D126-K128 VanDerWaalsContact OD1-N 3.15Å; D126-K128 WeakPolarHBondContact OD2-CD 3.43Å; D126-K128 WeakPolarHBondContact OD2-CG 3.46Å; D126-K128 IonicContact OD2-NZ 3.72Å; K128-L144 WeakPolarHBondContact O-CB 3.34Å; K128-L144 PolarHBondContact O-N 2.82Å
129	F	97.2	Very high	96.5	Very high	57 Å²	57	21.6 Å²	21.6	25%	0.25	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	-174	-55.2	-65.8	0	0	0	111.5	I123 S124 F131 W142 L150	I123-F129 CarbonylContact C-O 3.58Å; I123-F129 WeakPolarHBondContact CA-O 3.34Å; S124-F129 PolarHBondContact N-O 2.92Å; S124-F129 PolarHBondContact OG-N 2.87Å; S124-F129 PolarHBondContact OG-O 2.57Å; F129-F131 HydrophobicContact CB-CE2 3.96Å; F129-F131 HydrophobicContact CB-CZ 3.96Å; F129-W142 VanDerWaalsContact CA-O 3.28Å; F129-W142 WeakPolarHBondContact CA-O 3.44Å; F129-L150 HydrophobicContact CD1-CD1 3.84Å; F129-L150 HydrophobicContact CE1-CD1 3.61Å
130	A	98.1	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.1	165.3	0	0	0	0	0	110.2	C122 I123 W142 L144 L456	C122-A130 WeakPolarHBondContact O-CA 3.5Å; I123-A130 HydrophobicContact CG1-CB 4.18Å; A130-W142 HydrophobicContact CB-CB 4.29Å; A130-W142 PolarHBondContact N-O 3.04Å; A130-W142 VanDerWaalsContact N-O 3.09Å; A130-W142 PolarHBondContact O-N 2.77Å; A130-L144 HydrophobicContact CB-CD1 4.13Å; A130-L144 HydrophobicContact CB-CD2 3.79Å; A130-L144 HydrophobicContact CB-CG 4.1Å; A130-L456 HydrophobicContact CB-CD2 4.02Å
131	F	98.6	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.4	176.1	-54	-90.1	0	0	0	108.9	V121 C122 F129 I140 K141 I172 I174 L181 P195 M198	V121-F131 CarbonylContact C-O 3.56Å; V121-F131 VanDerWaalsContact CA-O 3.27Å; V121-F131 WeakPolarHBondContact CA-O 3.49Å; C122-F131 PolarHBondContact N-O 3.05Å; C122-F131 PolarHBondContact O-N 3.14Å; F129-F131 HydrophobicContact CB-CE2 3.96Å; F129-F131 HydrophobicContact CB-CZ 3.96Å; F131-I140 WeakPolarHBondContact CA-O 3.26Å; F131-K141 HydrophobicContact CD1-CB 4.06Å; F131-K141 HydrophobicContact CD1-CG 4.09Å; F131-K141 HydrophobicContact CE1-CB 4.05Å; F131-K141 HydrophobicContact CE1-CD 3.82Å; F131-K141 HydrophobicContact CE1-CG 3.65Å; F131-K141 HydrophobicContact CZ-CD 4.44Å; F131-K141 HydrophobicContact CZ-CG 4.35Å; F131-I172 HydrophobicContact CB-CD1 3.71Å; F131-I174 HydrophobicContact CD2-CD1 4.3Å; F131-I174 HydrophobicContact CE2-CD1 3.66Å; F131-I174 HydrophobicContact CZ-CD1 4.32Å; F131-L181 HydrophobicContact CB-CD1 3.92Å; F131-L181 HydrophobicContact CB-CD2 4.24Å; F131-L181 HydrophobicContact CD1-CD1 4.24Å; F131-L181 HydrophobicContact CD1-CD2 3.59Å; F131-L181 HydrophobicContact CD2-CD1 3.88Å; F131-L181 HydrophobicContact CE1-CD2 4.09Å; F131-L181 HydrophobicContact CG-CD1 3.74Å; F131-L181 HydrophobicContact CG-CD2 3.92Å; F131-P195 HydrophobicContact CE1-CB 4.02Å; F131-P195 HydrophobicContact CE2-CB 4.32Å; F131-P195 HydrophobicContact CZ-CB 3.59Å; F131-M198 HydrophobicContact CD1-CE 4.32Å; F131-M198 HydrophobicContact CD1-SD 3.77Å; F131-M198 HydrophobicContact CE1-SD 3.55Å; F131-M198 VanDerWaalsContact CE1-SD 3.55Å
132	T	98.6	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.8	-179.5	56.8	0	0	0	0	111.4	H114 V118 C120 V121 V139 I140 W142 L456	H114-T132 WeakPolarHBondContact NE2-CB 3.39Å; H114-T132 PolarHBondContact NE2-OG1 3.2Å; V118-T132 HydrophobicContact CG1-CG2 4.21Å; C120-T132 WeakPolarHBondContact O-CA 3.34Å; V121-T132 HydrophobicContact CB-CG2 4.12Å; V121-T132 HydrophobicContact CG2-CG2 3.95Å; T132-V139 WeakPolarHBondContact O-CA 3.12Å; T132-I140 PolarHBondContact N-O 3.19Å; T132-I140 PolarHBondContact O-N 3.3Å; T132-W142 PolarHBondContact OG1-NE1 2.82Å; T132-L456 HydrophobicContact CG2-CB 4.12Å; T132-L456 HydrophobicContact CG2-CD1 4.25Å; T132-L456 HydrophobicContact CG2-CD2 3.77Å; T132-L456 HydrophobicContact CG2-CG 4.27Å
133	G	98	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.9	168.8	0	0	0	0	0	110.4	V118 S119 C120	V118-G133 WeakPolarHBondContact CG1-O 3.44Å; S119-G133 PolarHBondContact N-O 3.34Å; S119-G133 PolarHBondContact OG-O 3.26Å; C120-G133 PolarHBondContact N-O 3.23Å; C120-G133 PolarHBondContact O-N 3.23Å
134	G	97	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.8	-179.4	0	0	0	0	0	114.3	S117 D136 S137 S138 I169	S117-G134 WeakPolarHBondContact O-CA 3.26Å; G134-D136 PolarHBondContact O-N 3.09Å; G134-S137 PolarHBondContact O-N 2.89Å; G134-S137 VanDerWaalsContact O-N 3.09Å; G134-S138 PolarHBondContact N-O 3.34Å; G134-I169 PolarHBondContact O-N 3.46Å; G134-I169 VanDerWaalsContact O-N 3.11Å
135	K	95.9	Very high	96.3	Very high	14 Å²	14	25 Å²	25	6%	0.061	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.6	169.9	-76.2	-165.1	174.3	-166.9	0	114.5	K116 S117 S137 P168 E440 H441 R442 G444	K116-K135 HydrophobicContact CB-CB 3.82Å; K116-K135 HydrophobicContact CD-CB 4.27Å; S117-K135 PolarHBondContact O-N 2.99Å; K135-S137 PolarHBondContact O-N 3.21Å; K135-P168 HydrophobicContact CG-CB 4.33Å; K135-E440 HydrophobicContact CD-CG 4.21Å; K135-E440 WeakPolarHBondContact CD-OE1 3.48Å; K135-E440 WeakPolarHBondContact CE-OE1 3.39Å; K135-E440 IonicContact NZ-OE1 2.73Å; K135-E440 PolarHBondContact NZ-OE1 3.49Å; K135-E440 IonicContact NZ-OE2 2.78Å; K135-H441 WeakPolarHBondContact CE-O 3.14Å; K135-H441 PolarHBondContact NZ-O 3.44Å; K135-R442 VanDerWaalsContact CE-O 3.29Å; K135-R442 WeakPolarHBondContact CE-O 3.36Å; K135-G444 PolarHBondContact NZ-O 3.07Å
136	D	94.8	Very high	96.5	Very high	31 Å²	31	24 Å²	24	17%	0.166	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	10.7	169.7	62	-0.6	0	0	0	112.6	H114 R115 K116 G134 S138	H114-D136 VanDerWaalsContact CA-OD2 3.31Å; H114-D136 WeakPolarHBondContact CA-OD2 3.37Å; H114-D136 IonicContact CG-OD2 3.13Å; H114-D136 IonicContact ND1-OD1 2.75Å; H114-D136 PolarHBondContact ND1-OD1 2.92Å; H114-D136 VanDerWaalsContact ND1-OD1 3.13Å; H114-D136 IonicContact ND1-OD2 2.69Å; R115-D136 HydrophobicContact CB-CB 4.18Å; R115-D136 PolarHBondContact N-OD2 3.07Å; K116-D136 HydrophobicContact CB-CB 4.13Å; K116-D136 HydrophobicContact CG-CB 4.2Å; G134-D136 PolarHBondContact O-N 3.09Å; D136-S138 PolarHBondContact O-N 3.46Å; D136-S138 VanDerWaalsContact O-N 3.14Å; D136-S138 WeakPolarHBondContact OD1-CB 3.36Å; D136-S138 PolarHBondContact OD1-N 2.89Å; D136-S138 PolarHBondContact OD1-OG 2.94Å; D136-S138 PolarHBondContact OD2-OG 3.47Å; D136-S138 VanDerWaalsContact OD2-OG 3.12Å
137	S	96.2	Very high	96.7	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	12%	0.116	C	C	.	.	S	Bend	trans	64.1	13.6	178.6	-46.3	0	0	0	0	113.3	G134 K135 G155 G167	G134-S137 PolarHBondContact O-N 2.89Å; G134-S137 VanDerWaalsContact O-N 3.09Å; K135-S137 PolarHBondContact O-N 3.21Å; S137-G155 VanDerWaalsContact O-CA 3.24Å; S137-G155 WeakPolarHBondContact O-CA 3.21Å; S137-G155 PolarHBondContact O-N 2.88Å; S137-G167 VanDerWaalsContact CB-O 3.3Å; S137-G167 WeakPolarHBondContact CB-O 3.47Å; S137-G167 VanDerWaalsContact OG-CA 3.3Å; S137-G167 WeakPolarHBondContact OG-CA 3.44Å; S137-G167 PolarHBondContact OG-N 3.44Å; S137-G167 PolarHBondContact OG-O 3.5Å; S137-G167 VanDerWaalsContact OG-O 3.05Å
138	S	96.9	Very high	96.8	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.042	14%	0.138	C	C	.	.			trans	-97	148.3	-178.3	71	0	0	0	0	112.2	H114 G134 D136 I153 I169	H114-S138 PolarHBondContact CE1-O 3.16Å; H114-S138 PolarHBondContact CE1-OG 3.17Å; H114-S138 PolarHBondContact ND1-OG 3.03Å; G134-S138 PolarHBondContact N-O 3.34Å; D136-S138 PolarHBondContact O-N 3.46Å; D136-S138 VanDerWaalsContact O-N 3.14Å; D136-S138 WeakPolarHBondContact OD1-CB 3.36Å; D136-S138 PolarHBondContact OD1-N 2.89Å; D136-S138 PolarHBondContact OD1-OG 2.94Å; D136-S138 PolarHBondContact OD2-OG 3.47Å; D136-S138 VanDerWaalsContact OD2-OG 3.12Å; S138-I153 WeakPolarHBondContact CA-O 3.42Å; S138-I153 VanDerWaalsContact CB-O 3.24Å; S138-I153 WeakPolarHBondContact CB-O 3.39Å; S138-I169 VanDerWaalsContact O-CD1 3.29Å; S138-I169 WeakPolarHBondContact O-CD1 3.24Å
139	V	98	Very high	96.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.1	168.3	-176.9	0	0	0	0	108.2	T132 I153 I169 I172 W193 M198	T132-V139 WeakPolarHBondContact O-CA 3.12Å; V139-I153 PolarHBondContact N-O 3.22Å; V139-I153 PolarHBondContact O-N 3.18Å; V139-I169 HydrophobicContact CB-CD1 4.44Å; V139-I169 HydrophobicContact CG2-CD1 3.27Å; V139-I172 HydrophobicContact CG1-CD1 4Å; V139-W193 HydrophobicContact CG2-CH2 4.47Å; V139-W193 HydrophobicContact CG2-CZ2 3.97Å; V139-M198 HydrophobicContact CB-CE 4.4Å; V139-M198 HydrophobicContact CG1-CE 3.57Å
140	I	98.2	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.5	178.1	-54.7	-177.7	0	0	0	109.7	G113 F131 T132 W142 K149 C151	G113-I140 VanDerWaalsContact C-CD1 3.49Å; F131-I140 WeakPolarHBondContact CA-O 3.26Å; T132-I140 PolarHBondContact N-O 3.19Å; T132-I140 PolarHBondContact O-N 3.3Å; I140-W142 HydrophobicContact CB-CZ2 3.95Å; I140-W142 HydrophobicContact CD1-CH2 4.44Å; I140-W142 HydrophobicContact CD1-CZ2 3.94Å; I140-W142 HydrophobicContact CG2-CD2 3.88Å; I140-W142 HydrophobicContact CG2-CE3 4.37Å; I140-W142 HydrophobicContact CG2-CG 4.44Å; I140-W142 HydrophobicContact CG2-CH2 3.97Å; I140-W142 HydrophobicContact CG2-CZ2 3.42Å; I140-W142 VanDerWaalsContact CG2-CZ2 3.42Å; I140-W142 HydrophobicContact CG2-CZ3 4.42Å; I140-K149 HydrophobicContact CD1-CD 4.41Å; I140-K149 HydrophobicContact CG2-CD 3.74Å; I140-K149 HydrophobicContact CG2-CG 3.55Å; I140-C151 WeakPolarHBondContact CA-O 3.33Å; I140-C151 WeakPolarHBondContact CG2-O 3.35Å
141	K	98.3	Very high	96.8	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.065	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.8	170.1	179.1	180	177.6	170.6	0	109.3	F131 L150 C151 P195 Q196 M198	F131-K141 HydrophobicContact CD1-CB 4.06Å; F131-K141 HydrophobicContact CD1-CG 4.09Å; F131-K141 HydrophobicContact CE1-CB 4.05Å; F131-K141 HydrophobicContact CE1-CD 3.82Å; F131-K141 HydrophobicContact CE1-CG 3.65Å; F131-K141 HydrophobicContact CZ-CD 4.44Å; F131-K141 HydrophobicContact CZ-CG 4.35Å; K141-L150 HydrophobicContact CD-CB 4.49Å; K141-L150 HydrophobicContact CD-CD1 4.31Å; K141-L150 HydrophobicContact CG-CB 4.33Å; K141-L150 HydrophobicContact CG-CD1 4.35Å; K141-L150 PolarHBondContact O-N 2.81Å; K141-C151 HydrophobicContact CB-CB 4.17Å; K141-C151 PolarHBondContact N-O 3.3Å; K141-C151 PolarHBondContact O-N 3.32Å; K141-P195 WeakPolarHBondContact CE-O 3.43Å; K141-P195 PolarHBondContact NZ-O 2.84Å; K141-Q196 PolarHBondContact NZ-O 2.97Å; K141-M198 HydrophobicContact CB-CG 4.01Å; K141-M198 HydrophobicContact CB-SD 4.09Å; K141-M198 HydrophobicContact CD-CG 3.78Å; K141-M198 HydrophobicContact CD-SD 4.16Å
142	W	98.3	Very high	96.7	Very high	4 Å²	4	32 Å²	32	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.5	179.5	-50.4	92.6	0	0	0	110.1	L111 R112 F129 A130 T132 I140 V148 K149 L456	L111-W142 HydrophobicContact CB-CD2 4.28Å; L111-W142 HydrophobicContact CB-CE3 3.84Å; L111-W142 HydrophobicContact CB-CH2 4.03Å; L111-W142 HydrophobicContact CB-CZ2 4.45Å; L111-W142 HydrophobicContact CB-CZ3 3.7Å; L111-W142 HydrophobicContact CD1-CB 4.25Å; L111-W142 HydrophobicContact CD1-CD2 4.09Å; L111-W142 HydrophobicContact CD1-CE3 3.94Å; L111-W142 HydrophobicContact CD1-CG 4.24Å; L111-W142 HydrophobicContact CG-CE3 4.35Å; R112-W142 WeakPolarHBondContact O-CH2 3.19Å; F129-W142 VanDerWaalsContact CA-O 3.28Å; F129-W142 WeakPolarHBondContact CA-O 3.44Å; A130-W142 HydrophobicContact CB-CB 4.29Å; A130-W142 PolarHBondContact N-O 3.04Å; A130-W142 VanDerWaalsContact N-O 3.09Å; A130-W142 PolarHBondContact O-N 2.77Å; T132-W142 PolarHBondContact OG1-NE1 2.82Å; I140-W142 HydrophobicContact CB-CZ2 3.95Å; I140-W142 HydrophobicContact CD1-CH2 4.44Å; I140-W142 HydrophobicContact CD1-CZ2 3.94Å; I140-W142 HydrophobicContact CG2-CD2 3.88Å; I140-W142 HydrophobicContact CG2-CE3 4.37Å; I140-W142 HydrophobicContact CG2-CG 4.44Å; I140-W142 HydrophobicContact CG2-CH2 3.97Å; I140-W142 HydrophobicContact CG2-CZ2 3.42Å; I140-W142 VanDerWaalsContact CG2-CZ2 3.42Å; I140-W142 HydrophobicContact CG2-CZ3 4.42Å; W142-V148 WeakPolarHBondContact CA-O 3.39Å; W142-K149 HydrophobicContact CE3-CB 3.84Å; W142-K149 HydrophobicContact CE3-CG 4.32Å; W142-K149 HydrophobicContact CH2-CB 4.38Å; W142-K149 HydrophobicContact CH2-CD 4.23Å; W142-K149 HydrophobicContact CH2-CG 4.41Å; W142-K149 HydrophobicContact CZ3-CB 3.6Å; W142-K149 HydrophobicContact CZ3-CD 4.26Å; W142-K149 HydrophobicContact CZ3-CG 4.06Å; W142-L456 HydrophobicContact CG-CD2 4.08Å
143	D	97.1	Very high	96.6	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.5	164.9	-177	-3.7	0	0	0	109	N145 T146 M147 V148 L150	D143-N145 VanDerWaalsContact C-N 3.33Å; D143-N145 WeakPolarHBondContact OD1-CB 3.23Å; D143-N145 PolarHBondContact OD1-N 2.97Å; D143-T146 WeakPolarHBondContact CB-OG1 3.48Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.49Å; D143-T146 PolarHBondContact OD2-OG1 3.36Å; D143-M147 WeakPolarHBondContact O-CA 3.49Å; D143-M147 PolarHBondContact O-N 3.43Å; D143-V148 PolarHBondContact N-O 2.98Å; D143-V148 PolarHBondContact O-N 3.33Å; D143-L150 HydrophobicContact CB-CD1 3.82Å; D143-L150 HydrophobicContact CB-CD2 4.13Å; D143-L150 HydrophobicContact CB-CG 3.83Å
144	L	95.8	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9	-179.6	-62.7	-179	0	0	0	113.1	I123 G127 K128 A130 M147 L458	I123-L144 HydrophobicContact CG1-CD1 4.27Å; I123-L144 HydrophobicContact CG2-CD1 3.78Å; G127-L144 WeakPolarHBondContact O-CD1 3.47Å; K128-L144 WeakPolarHBondContact O-CB 3.34Å; K128-L144 PolarHBondContact O-N 2.82Å; A130-L144 HydrophobicContact CB-CD1 4.13Å; A130-L144 HydrophobicContact CB-CD2 3.79Å; A130-L144 HydrophobicContact CB-CG 4.1Å; L144-M147 WeakPolarHBondContact O-CE 3.23Å; L144-L458 HydrophobicContact CD2-CD1 3.67Å; L144-L458 HydrophobicContact CD2-CD2 3.92Å; L144-L458 HydrophobicContact CD2-CG 4.45Å
145	N	94.8	Very high	96.1	Very high	83 Å²	83	37.5 Å²	37.5	44%	0.444	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-42.6	173.8	-63.9	-40.3	0	0	0	111.3	D143 R431	D143-N145 VanDerWaalsContact C-N 3.33Å; D143-N145 WeakPolarHBondContact OD1-CB 3.23Å; D143-N145 PolarHBondContact OD1-N 2.97Å; N145-R431 PolarHBondContact OD1-NH1 3.15Å; N145-R431 PolarHBondContact OD1-NH2 3.33Å; N145-R431 VanDerWaalsContact OD1-NH2 3.1Å
146	T	95.2	Very high	95.7	Very high	82 Å²	82	37.6 Å²	37.6	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-11.6	178.6	61.8	0	0	0	0	113.4	D143 V148	D143-T146 WeakPolarHBondContact CB-OG1 3.48Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.49Å; D143-T146 PolarHBondContact OD2-OG1 3.36Å; T146-V148 WeakPolarHBondContact O-CG2 3.22Å; T146-V148 PolarHBondContact O-N 2.99Å
147	M	95.5	Very high	95.2	Very high	42 Å²	42	44.1 Å²	44.1	21%	0.207	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	30.9	-176.4	-54.5	-59.3	179.7	0	0	113.1	I109 L111 D143 L144 Y432 L458	I109-M147 HydrophobicContact CD1-CE 3.66Å; I109-M147 HydrophobicContact CD1-CG 4.16Å; I109-M147 HydrophobicContact CD1-SD 4.09Å; I109-M147 HydrophobicContact CG2-CB 4.45Å; I109-M147 HydrophobicContact CG2-CG 4.41Å; I109-M147 HydrophobicContact CG2-SD 4.46Å; L111-M147 HydrophobicContact CD2-CB 4.09Å; L111-M147 WeakPolarHBondContact CD2-O 3.33Å; D143-M147 WeakPolarHBondContact O-CA 3.49Å; D143-M147 PolarHBondContact O-N 3.43Å; L144-M147 WeakPolarHBondContact O-CE 3.23Å; M147-Y432 HydrophobicContact CE-CE1 4.14Å; M147-Y432 HydrophobicContact CE-CE2 3.81Å; M147-Y432 WeakPolarHBondContact CE-OH 3.14Å; M147-L458 HydrophobicContact CE-CD1 3.93Å; M147-L458 HydrophobicContact SD-CD1 3.35Å; M147-L458 WeakPolarHBondContact SD-CD1 3.36Å
148	V	95.3	Very high	94.4	Very high	78 Å²	78	52.4 Å²	52.4	47%	0.473	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.9	-176.3	179.6	0	0	0	0	111.7	W142 D143 T146 L150	W142-V148 WeakPolarHBondContact CA-O 3.39Å; D143-V148 PolarHBondContact N-O 2.98Å; D143-V148 PolarHBondContact O-N 3.33Å; T146-V148 WeakPolarHBondContact O-CG2 3.22Å; T146-V148 PolarHBondContact O-N 2.99Å; V148-L150 PolarHBondContact O-N 3.06Å
149	K	96.6	Very high	93.3	Very high	94 Å²	94	61.3 Å²	61.3	41%	0.409	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.1	168.8	-173.8	171	68.5	-176.3	0	110.4	I140 W142	I140-K149 HydrophobicContact CD1-CD 4.41Å; I140-K149 HydrophobicContact CG2-CD 3.74Å; I140-K149 HydrophobicContact CG2-CG 3.55Å; W142-K149 HydrophobicContact CE3-CB 3.84Å; W142-K149 HydrophobicContact CE3-CG 4.32Å; W142-K149 HydrophobicContact CH2-CB 4.38Å; W142-K149 HydrophobicContact CH2-CD 4.23Å; W142-K149 HydrophobicContact CH2-CG 4.41Å; W142-K149 HydrophobicContact CZ3-CB 3.6Å; W142-K149 HydrophobicContact CZ3-CD 4.26Å; W142-K149 HydrophobicContact CZ3-CG 4.06Å
150	L	96.6	Very high	92.2	Very high	88 Å²	88	64.5 Å²	64.5	46%	0.461	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-43.1	179.2	-68.1	179.7	0	0	0	112.8	F129 K141 D143 V148	F129-L150 HydrophobicContact CD1-CD1 3.84Å; F129-L150 HydrophobicContact CE1-CD1 3.61Å; K141-L150 HydrophobicContact CD-CB 4.49Å; K141-L150 HydrophobicContact CD-CD1 4.31Å; K141-L150 HydrophobicContact CG-CB 4.33Å; K141-L150 HydrophobicContact CG-CD1 4.35Å; K141-L150 PolarHBondContact O-N 2.81Å; D143-L150 HydrophobicContact CB-CD1 3.82Å; D143-L150 HydrophobicContact CB-CD2 4.13Å; D143-L150 HydrophobicContact CB-CG 3.83Å; V148-L150 PolarHBondContact O-N 3.06Å
151	C	96.5	Very high	91.2	Very high	42 Å²	42	75 Å²	75	28%	0.284	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142	-176.4	-177.3	0	0	0	0	110.3	I140 K141 M198	I140-C151 WeakPolarHBondContact CA-O 3.33Å; I140-C151 WeakPolarHBondContact CG2-O 3.35Å; K141-C151 HydrophobicContact CB-CB 4.17Å; K141-C151 PolarHBondContact N-O 3.3Å; K141-C151 PolarHBondContact O-N 3.32Å; C151-M198 HydrophobicContact CB-CG 4.18Å
152	S	96.5	Very high	90.4	Very high	53 Å²	53	78 Å²	78	37%	0.371	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	107.9	178.5	-176.5	0	0	0	0	108.9	P154	S152-P154 WeakPolarHBondContact O-CD 3.49Å
153	I	96.6	Very high	89.9	Confident	15 Å²	15	81 Å²	81	8%	0.077	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.8	178.8	-60.4	-178	0	0	0	108	S138 V139 Y164 W193 M198	S138-I153 WeakPolarHBondContact CA-O 3.42Å; S138-I153 VanDerWaalsContact CB-O 3.24Å; S138-I153 WeakPolarHBondContact CB-O 3.39Å; V139-I153 PolarHBondContact N-O 3.22Å; V139-I153 PolarHBondContact O-N 3.18Å; I153-Y164 HydrophobicContact CG2-CD1 3.95Å; I153-Y164 HydrophobicContact CG2-CD2 3.36Å; I153-Y164 HydrophobicContact CG2-CE1 4.18Å; I153-Y164 HydrophobicContact CG2-CE2 3.63Å; I153-Y164 HydrophobicContact CG2-CG 3.56Å; I153-W193 HydrophobicContact CD1-CE3 4.03Å; I153-W193 HydrophobicContact CD1-CH2 4.47Å; I153-W193 HydrophobicContact CD1-CZ3 3.62Å; I153-W193 HydrophobicContact CG2-CH2 4.32Å; I153-W193 HydrophobicContact CG2-CZ3 4.26Å; I153-M198 HydrophobicContact CD1-CB 3.89Å; I153-M198 HydrophobicContact CD1-CE 4.2Å; I153-M198 WeakPolarHBondContact CD1-O 3.41Å
154	P	94.5	Very high	89.7	Confident	76 Å²	76	83.2 Å²	83.2	49%	0.494	42%	0.423	S	S	.	.			trans	-71.4	150.3	178.2	31.2	-34.6	0	0	0	110.8	S152	S152-P154 WeakPolarHBondContact O-CD 3.49Å
155	G	90.6	Very high	89.7	Confident	24 Å²	24	83.3 Å²	83.3	25%	0.247	42%	0.423	C	S	.	.			trans	-75	160.1	171.6	0	0	0	0	0	113.1	S137 H165	S137-G155 VanDerWaalsContact O-CA 3.24Å; S137-G155 WeakPolarHBondContact O-CA 3.21Å; S137-G155 PolarHBondContact O-N 2.88Å; G155-H165 CarbonylContact C-O 3.01Å; G155-H165 WeakPolarHBondContact CA-O 3.48Å
156	G	88.1	Confident	89.7	Confident	16 Å²	16	80.3 Å²	80.3	17%	0.165	41%	0.408	C	S	.	.			trans	-89.4	175.1	178.5	0	0	0	0	0	113.8	Y162 H165	G156-Y162 VanDerWaalsContact N-CD1 3.33Å; G156-Y162 VanDerWaalsContact N-CE1 3.29Å; G156-H165 PolarHBondContact N-O 2.89Å
157	K	84.4	Confident	89.7	Confident	167 Å²	167	76.6 Å²	76.6	73%	0.726	39%	0.386	S	S	*	.			trans	-73.1	141.7	168.1	-67.6	-177.3	-179.9	-179.6	0	109.8	T160 T166	K157-T160 HydrophobicContact CB-CG2 3.89Å; K157-T160 PolarHBondContact O-N 3.38Å; K157-T160 PolarHBondContact O-OG1 2.81Å; K157-T166 VanDerWaalsContact O-CG2 3.29Å; K157-T166 WeakPolarHBondContact O-CG2 3.48Å
158	R	79.4	Confident	89.7	Confident	190 Å²	190	76.5 Å²	76.5	72%	0.717	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	147	173.1	-66.2	-180	71.3	143.7	3.1	110.2	T160 T166	R158-T160 PolarHBondContact O-N 3.29Å; R158-T160 VanDerWaalsContact O-N 3.07Å; R158-T166 WeakPolarHBondContact CG-O 3.14Å
159	E	73	Confident	89.8	Confident	194 Å²	194	72.8 Å²	72.8	91%	0.907	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	8.3	175.8	-57.5	170.7	-168.2	0	0	115.5
160	T	75.4	Confident	89.9	Confident	68 Å²	68	68.3 Å²	68.3	42%	0.417	35%	0.347	S	S	.	.	S	Bend	trans	-92.1	151.4	169.6	65.2	0	0	0	0	110.6	K157 R158 Y162	K157-T160 HydrophobicContact CB-CG2 3.89Å; K157-T160 PolarHBondContact O-N 3.38Å; K157-T160 PolarHBondContact O-OG1 2.81Å; R158-T160 PolarHBondContact O-N 3.29Å; R158-T160 VanDerWaalsContact O-N 3.07Å; T160-Y162 PolarHBondContact O-N 2.85Å
161	K	76	Confident	89.9	Confident	220 Å²	220	65 Å²	65	96%	0.957	33%	0.331	S	S	*	.			trans	-74.1	51.2	171.7	-161.5	-178.3	-179.2	-179.7	0	110.9
162	Y	82.9	Confident	90	Very high	78 Å²	78	63.5 Å²	63.5	31%	0.306	32%	0.32	S	S	.	.			trans	-74.7	138.8	-178.8	-152.2	-115.4	0	0	0	110.2	G156 T160 Y164 K203	G156-Y162 VanDerWaalsContact N-CD1 3.33Å; G156-Y162 VanDerWaalsContact N-CE1 3.29Å; T160-Y162 PolarHBondContact O-N 2.85Å; Y162-Y164 HydrophobicContact CD1-CD2 4.14Å; Y162-Y164 HydrophobicContact CD1-CG 4.36Å; Y162-Y164 AromaticContact CE1-CD2 3.51Å; Y162-Y164 HydrophobicContact CE1-CD2 3.51Å; Y162-Y164 HydrophobicContact CE1-CE2 4.44Å; Y162-Y164 HydrophobicContact CE1-CG 4.14Å; Y162-Y164 PolarHBondContact O-N 3.48Å; Y162-K203 PolarHBondContact O-NZ 2.82Å
163	P	86.9	Confident	90.1	Very high	69 Å²	69	61.7 Å²	61.7	45%	0.448	31%	0.307	S	S	.	.	S	Bend	trans	-66.3	-26.6	-178.8	25.7	-33.7	0	0	0	112.5
164	Y	92.9	Very high	90.2	Very high	68 Å²	68	62.1 Å²	62.1	27%	0.267	31%	0.309	S	S	.	.	S	Bend	trans	-102.2	-170.9	-175.6	-47.3	-44.6	0	0	0	112.5	I153 Y162 I191 W193 V200 K203	I153-Y164 HydrophobicContact CG2-CD1 3.95Å; I153-Y164 HydrophobicContact CG2-CD2 3.36Å; I153-Y164 HydrophobicContact CG2-CE1 4.18Å; I153-Y164 HydrophobicContact CG2-CE2 3.63Å; I153-Y164 HydrophobicContact CG2-CG 3.56Å; Y162-Y164 HydrophobicContact CD1-CD2 4.14Å; Y162-Y164 HydrophobicContact CD1-CG 4.36Å; Y162-Y164 AromaticContact CE1-CD2 3.51Å; Y162-Y164 HydrophobicContact CE1-CD2 3.51Å; Y162-Y164 HydrophobicContact CE1-CE2 4.44Å; Y162-Y164 HydrophobicContact CE1-CG 4.14Å; Y162-Y164 PolarHBondContact O-N 3.48Å; Y164-I191 VanDerWaalsContact C-CD1 3.43Å; Y164-W193 AromaticContact CD1-CH2 3.57Å; Y164-W193 HydrophobicContact CD1-CH2 3.57Å; Y164-W193 AromaticContact CD1-CZ3 3.49Å; Y164-W193 HydrophobicContact CD1-CZ3 3.49Å; Y164-W193 VanDerWaalsContact CD1-CZ3 3.49Å; Y164-W193 HydrophobicContact CE1-CH2 4.39Å; Y164-W193 AromaticContact CE1-CZ3 3.86Å; Y164-W193 HydrophobicContact CE1-CZ3 3.86Å; Y164-W193 HydrophobicContact CG-CH2 4.12Å; Y164-W193 HydrophobicContact CG-CZ3 4.37Å; Y164-V200 HydrophobicContact CD1-CG2 3.62Å; Y164-V200 HydrophobicContact CE1-CG2 3.55Å; Y164-K203 PolarHBondContact O-NZ 2.94Å
165	H	95.8	Very high	90.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	29%	0.286	C	S	.	.			trans	-67.5	140	175.7	-75.8	-63	0	0	0	111.4	G155 G156 I169 S183 D187 S189	G155-H165 CarbonylContact C-O 3.01Å; G155-H165 WeakPolarHBondContact CA-O 3.48Å; G156-H165 PolarHBondContact N-O 2.89Å; H165-I169 HydrophobicContact CB-CD1 4.39Å; H165-I169 HydrophobicContact CB-CG1 4.19Å; H165-S183 PolarHBondContact CD2-OG 3.32Å; H165-S183 PolarHBondContact NE2-O 2.93Å; H165-S183 PolarHBondContact NE2-OG 2.76Å; H165-D187 WeakPolarHBondContact CA-OD2 3.04Å; H165-D187 IonicContact CE1-OD1 3.9Å; H165-D187 IonicContact CG-OD2 3.4Å; H165-D187 IonicContact ND1-OD1 2.72Å; H165-D187 PolarHBondContact ND1-OD1 2.6Å; H165-D187 VanDerWaalsContact ND1-OD1 3.09Å; H165-D187 IonicContact ND1-OD2 3.39Å; H165-D187 PolarHBondContact ND1-OD2 3.24Å; H165-S189 PolarHBondContact CE1-OG 3.39Å; H165-S189 PolarHBondContact ND1-OG 2.9Å
166	T	95.1	Very high	90.4	Very high	20 Å²	20	59 Å²	59	12%	0.123	29%	0.285	C	S	.	.	S	Bend	trans	-111.9	-2.7	176.8	61.1	0	0	0	0	112.9	K157 R158 D187	K157-T166 VanDerWaalsContact O-CG2 3.29Å; K157-T166 WeakPolarHBondContact O-CG2 3.48Å; R158-T166 WeakPolarHBondContact CG-O 3.14Å; T166-D187 PolarHBondContact N-OD2 2.95Å; T166-D187 WeakPolarHBondContact OG1-CB 3.47Å
167	G	94.4	Very high	90.7	Very high	5 Å²	5	61.3 Å²	61.3	5%	0.052	29%	0.294	C	S	.	.	S	Bend	trans	-136.7	170	176.3	0	0	0	0	0	111.8	S137 I169	S137-G167 VanDerWaalsContact CB-O 3.3Å; S137-G167 WeakPolarHBondContact CB-O 3.47Å; S137-G167 VanDerWaalsContact OG-CA 3.3Å; S137-G167 WeakPolarHBondContact OG-CA 3.44Å; S137-G167 PolarHBondContact OG-N 3.44Å; S137-G167 PolarHBondContact OG-O 3.5Å; S137-G167 VanDerWaalsContact OG-O 3.05Å; G167-I169 PolarHBondContact O-N 2.88Å
168	P	96.1	Very high	91.2	Very high	39 Å²	39	54.7 Å²	54.7	25%	0.253	27%	0.269	S	S	.	.			trans	-46	130.6	178.2	-32.3	35.4	0	0	0	112.9	K135 G185 M186	K135-P168 HydrophobicContact CG-CB 4.33Å; P168-G185 CarbonylContact O-C 3.57Å; P168-G185 WeakPolarHBondContact O-CA 3.48Å; P168-M186 HydrophobicContact CB-CB 4.43Å; P168-M186 HydrophobicContact CB-CG 3.93Å; P168-M186 HydrophobicContact CG-CB 4.49Å; P168-M186 HydrophobicContact CG-CG 4.21Å; P168-M186 PolarHBondContact O-N 2.87Å
169	I	98.1	Very high	92	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.6	173.6	-53.7	-173.8	0	0	0	107.2	S119 G134 S138 V139 H165 G167 S184	S119-I169 VanDerWaalsContact CB-O 3.22Å; S119-I169 WeakPolarHBondContact CB-O 3.37Å; S119-I169 PolarHBondContact OG-O 3.27Å; G134-I169 PolarHBondContact O-N 3.46Å; G134-I169 VanDerWaalsContact O-N 3.11Å; S138-I169 VanDerWaalsContact O-CD1 3.29Å; S138-I169 WeakPolarHBondContact O-CD1 3.24Å; V139-I169 HydrophobicContact CB-CD1 4.44Å; V139-I169 HydrophobicContact CG2-CD1 3.27Å; H165-I169 HydrophobicContact CB-CD1 4.39Å; H165-I169 HydrophobicContact CB-CG1 4.19Å; G167-I169 PolarHBondContact O-N 2.88Å; I169-S184 CarbonylContact C-O 3.58Å; I169-S184 WeakPolarHBondContact CA-O 3.33Å; I169-S184 VanDerWaalsContact CG2-O 3.26Å; I169-S184 WeakPolarHBondContact CG2-O 3.28Å
170	L	97.5	Very high	93.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-33	-175.7	-63	178.1	0	0	0	112.1	S184 M186 T212 F443	L170-S184 PolarHBondContact N-O 2.86Å; L170-M186 HydrophobicContact CD1-CG 4.04Å; L170-M186 HydrophobicContact CD1-SD 3.73Å; L170-M186 HydrophobicContact CD2-CG 4.18Å; L170-M186 HydrophobicContact CD2-SD 4.41Å; L170-M186 HydrophobicContact CG-CG 4.2Å; L170-M186 HydrophobicContact CG-SD 4.46Å; L170-T212 HydrophobicContact CD1-CG2 4.37Å; L170-F443 HydrophobicContact CD1-CD1 4.41Å; L170-F443 HydrophobicContact CD1-CE1 4.18Å; L170-F443 HydrophobicContact CD2-CD1 4Å; L170-F443 HydrophobicContact CD2-CE1 4.17Å
171	S	98.1	Very high	94.2	Very high	19 Å²	19	40.5 Å²	40.5	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.3	-177.9	-171.8	0	0	0	0	110.8	C120 S183 S184 V214	C120-S171 VanDerWaalsContact SG-C 3.58Å; S171-S183 WeakPolarHBondContact O-CA 3.26Å; S171-S184 PolarHBondContact N-O 3.13Å; S171-S184 PolarHBondContact O-N 3.15Å; S171-V214 PolarHBondContact OG-N 3.38Å; S171-V214 VanDerWaalsContact OG-N 3.09Å; S171-V214 PolarHBondContact OG-O 2.68Å
172	I	98.4	Very high	95.3	Very high	10 Å²	10	30 Å²	30	5%	0.051	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.2	175.8	-164.1	169.7	0	0	0	108.6	C120 C122 F131 V139 L181 A182	C120-I172 HydrophobicContact CB-CG2 3.91Å; C120-I172 VanDerWaalsContact SG-CG2 3.6Å; C122-I172 HydrophobicContact CB-CG2 4.47Å; F131-I172 HydrophobicContact CB-CD1 3.71Å; V139-I172 HydrophobicContact CG1-CD1 4Å; I172-L181 HydrophobicContact CD1-CD1 4.12Å; I172-L181 HydrophobicContact CD1-CD2 4.3Å; I172-L181 HydrophobicContact CD1-CG 4.4Å; I172-L181 HydrophobicContact CG1-CD1 3.91Å; I172-L181 HydrophobicContact CG1-CG 4.34Å; I172-A182 CarbonylContact C-O 3.51Å; I172-A182 VanDerWaalsContact CA-O 3.27Å; I172-A182 WeakPolarHBondContact CA-O 3.27Å; I172-A182 WeakPolarHBondContact CG1-O 3.32Å
173	C	98	Very high	96	Very high	14 Å²	14	26.3 Å²	26.3	10%	0.095	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.9	177.2	67.1	0	0	0	0	111	L181 A182 V214 S215	C173-L181 CarbonylContact O-C 3.55Å; C173-L181 WeakPolarHBondContact O-CD1 3.28Å; C173-A182 PolarHBondContact N-O 2.84Å; C173-A182 PolarHBondContact O-N 2.88Å; C173-V214 VanDerWaalsContact SG-C 3.58Å; C173-V214 PolarHBondContact SG-O 2.97Å; C173-V214 VanDerWaalsContact SG-O 3.42Å; C173-S215 VanDerWaalsContact SG-CA 3.53Å
174	I	97.8	Very high	96.5	Very high	25 Å²	25	23 Å²	23	13%	0.128	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.9	-180	-168.9	166.5	0	0	0	109.9	C122 I123 F131 Y180 L181 P195 F216	C122-I174 HydrophobicContact CB-CG2 4.42Å; I123-I174 WeakPolarHBondContact O-CG2 3.44Å; F131-I174 HydrophobicContact CD2-CD1 4.3Å; F131-I174 HydrophobicContact CE2-CD1 3.66Å; F131-I174 HydrophobicContact CZ-CD1 4.32Å; I174-Y180 CarbonylContact C-O 3.57Å; I174-Y180 WeakPolarHBondContact CA-O 3.42Å; I174-L181 HydrophobicContact CB-CD1 4.09Å; I174-L181 HydrophobicContact CG1-CD1 4.5Å; I174-P195 HydrophobicContact CD1-CB 4.04Å; I174-P195 HydrophobicContact CD1-CG 4.26Å; I174-F216 VanDerWaalsContact C-CD2 3.47Å
175	S	96.9	Very high	96.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.109	C	C	.	.			trans	-68.8	150.9	172.2	67.4	0	0	0	0	110.6	D177 S178 K179 Y180	S175-D177 WeakPolarHBondContact CB-OD1 3.19Å; S175-D177 PolarHBondContact O-N 2.55Å; S175-D177 VanDerWaalsContact O-N 3.17Å; S175-D177 PolarHBondContact OG-OD1 2.96Å; S175-S178 WeakPolarHBondContact O-CA 3.07Å; S175-S178 PolarHBondContact O-N 3.15Å; S175-K179 PolarHBondContact OG-N 3.13Å; S175-K179 VanDerWaalsContact OG-N 3.17Å; S175-Y180 PolarHBondContact N-O 2.82Å; S175-Y180 PolarHBondContact OG-N 3Å; S175-Y180 VanDerWaalsContact OG-N 3.08Å; S175-Y180 PolarHBondContact OG-O 3.01Å
176	S	93.5	Very high	96.6	Very high	32 Å²	32	23.5 Å²	23.5	22%	0.224	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.9	-177.5	-54.8	0	0	0	0	113.7	E125 S178 H219	E125-S176 VanDerWaalsContact CB-O 3.27Å; E125-S176 WeakPolarHBondContact CB-O 3.3Å; S176-S178 VanDerWaalsContact C-N 3.27Å; S176-H219 PolarHBondContact OG-N 3.46Å
177	D	94.1	Very high	96.6	Very high	66 Å²	66	23.9 Å²	23.9	35%	0.353	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.9	174.6	69.9	-17.4	0	0	0	113.6	S175 K179 H221	S175-D177 WeakPolarHBondContact CB-OD1 3.19Å; S175-D177 PolarHBondContact O-N 2.55Å; S175-D177 VanDerWaalsContact O-N 3.17Å; S175-D177 PolarHBondContact OG-OD1 2.96Å; D177-K179 HydrophobicContact CB-CG 4.49Å; D177-K179 PolarHBondContact O-N 3.17Å; D177-K179 VanDerWaalsContact O-N 3.13Å; D177-K179 PolarHBondContact OD1-N 3.23Å; D177-K179 WeakPolarHBondContact OD2-CD 3.29Å; D177-K179 WeakPolarHBondContact OD2-CE 3.46Å; D177-K179 VanDerWaalsContact OD2-CG 3.32Å; D177-K179 WeakPolarHBondContact OD2-CG 3.16Å; D177-K179 IonicContact OD2-NZ 3.09Å; D177-K179 PolarHBondContact OD2-NZ 3.39Å; D177-H221 VanDerWaalsContact CG-NE2 3.27Å; D177-H221 IonicContact OD1-CD2 3.68Å; D177-H221 IonicContact OD1-NE2 3.44Å; D177-H221 PolarHBondContact OD1-NE2 3.47Å; D177-H221 IonicContact OD2-CD2 2.66Å; D177-H221 IonicContact OD2-CE1 3.8Å; D177-H221 PolarHBondContact OD2-CE1 2.72Å; D177-H221 IonicContact OD2-NE2 3.88Å; D177-H221 PolarHBondContact OD2-NE2 3.4Å
178	S	95	Very high	96.6	Very high	28 Å²	28	27.1 Å²	27.1	20%	0.196	14%	0.142	C	C	.	.	S	Bend	trans	53	31.6	-179.5	-58.1	0	0	0	0	114	S175 S176 P195	S175-S178 WeakPolarHBondContact O-CA 3.07Å; S175-S178 PolarHBondContact O-N 3.15Å; S176-S178 VanDerWaalsContact C-N 3.27Å; S178-P195 WeakPolarHBondContact O-CG 3.31Å
179	K	95.6	Very high	96.6	Very high	120 Å²	120	25.2 Å²	25.2	52%	0.522	13%	0.13	S	C	.	.	S	Bend	trans	-89.4	-29.9	174.2	-71.3	-172.3	-166.2	158.5	0	113.6	S175 D177 P195	S175-K179 PolarHBondContact OG-N 3.13Å; S175-K179 VanDerWaalsContact OG-N 3.17Å; D177-K179 HydrophobicContact CB-CG 4.49Å; D177-K179 PolarHBondContact O-N 3.17Å; D177-K179 VanDerWaalsContact O-N 3.13Å; D177-K179 PolarHBondContact OD1-N 3.23Å; D177-K179 WeakPolarHBondContact OD2-CD 3.29Å; D177-K179 WeakPolarHBondContact OD2-CE 3.46Å; D177-K179 VanDerWaalsContact OD2-CG 3.32Å; D177-K179 WeakPolarHBondContact OD2-CG 3.16Å; D177-K179 IonicContact OD2-NZ 3.09Å; D177-K179 PolarHBondContact OD2-NZ 3.39Å; K179-P195 WeakPolarHBondContact O-CD 3.47Å
180	Y	97.2	Very high	96.5	Very high	34 Å²	34	25.2 Å²	25.2	13%	0.133	13%	0.13	C	C	.	.			trans	-128.9	127.6	-176.2	-57.2	-70.7	0	0	0	110.2	I174 S175 I192 H221 M237	I174-Y180 CarbonylContact C-O 3.57Å; I174-Y180 WeakPolarHBondContact CA-O 3.42Å; S175-Y180 PolarHBondContact N-O 2.82Å; S175-Y180 PolarHBondContact OG-N 3Å; S175-Y180 VanDerWaalsContact OG-N 3.08Å; S175-Y180 PolarHBondContact OG-O 3.01Å; Y180-I192 HydrophobicContact CD1-CG2 3.97Å; Y180-H221 AromaticContact CE2-CE1 3.74Å; Y180-H221 AromaticContact CE2-CG 3.88Å; Y180-H221 AromaticContact CE2-ND1 3.69Å; Y180-H221 AromaticContact CE2-NE2 3.95Å; Y180-M237 HydrophobicContact CD1-CB 4.36Å; Y180-M237 HydrophobicContact CD1-CG 4.49Å; Y180-M237 HydrophobicContact CD2-CB 3.88Å; Y180-M237 HydrophobicContact CD2-CG 4.33Å; Y180-M237 HydrophobicContact CE1-CB 4.27Å; Y180-M237 HydrophobicContact CE2-CB 3.76Å; Y180-M237 HydrophobicContact CG-CB 4.18Å; Y180-M237 HydrophobicContact CG-CG 4.24Å
181	L	98.1	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.9	167.2	179	76.3	0	0	0	107.3	F131 I172 C173 I174 I192 W193 P195 M198	F131-L181 HydrophobicContact CB-CD1 3.92Å; F131-L181 HydrophobicContact CB-CD2 4.24Å; F131-L181 HydrophobicContact CD1-CD1 4.24Å; F131-L181 HydrophobicContact CD1-CD2 3.59Å; F131-L181 HydrophobicContact CD2-CD1 3.88Å; F131-L181 HydrophobicContact CE1-CD2 4.09Å; F131-L181 HydrophobicContact CG-CD1 3.74Å; F131-L181 HydrophobicContact CG-CD2 3.92Å; I172-L181 HydrophobicContact CD1-CD1 4.12Å; I172-L181 HydrophobicContact CD1-CD2 4.3Å; I172-L181 HydrophobicContact CD1-CG 4.4Å; I172-L181 HydrophobicContact CG1-CD1 3.91Å; I172-L181 HydrophobicContact CG1-CG 4.34Å; C173-L181 CarbonylContact O-C 3.55Å; C173-L181 WeakPolarHBondContact O-CD1 3.28Å; I174-L181 HydrophobicContact CB-CD1 4.09Å; I174-L181 HydrophobicContact CG1-CD1 4.5Å; L181-I192 CarbonylContact O-C 3.59Å; L181-I192 VanDerWaalsContact O-CA 3.3Å; L181-I192 WeakPolarHBondContact O-CA 3.48Å; L181-W193 HydrophobicContact CB-CB 4.13Å; L181-W193 HydrophobicContact CD2-CB 4.2Å; L181-W193 HydrophobicContact CD2-CG 4.2Å; L181-W193 PolarHBondContact N-O 2.77Å; L181-W193 PolarHBondContact O-N 2.8Å; L181-P195 HydrophobicContact CB-CB 4.17Å; L181-M198 HydrophobicContact CD2-CE 3.98Å; L181-M198 HydrophobicContact CD2-SD 4.05Å
182	A	98.3	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.6	175.4	0	0	0	0	0	109.5	I172 C173 I191 I192 V214 F216 L223	I172-A182 CarbonylContact C-O 3.51Å; I172-A182 VanDerWaalsContact CA-O 3.27Å; I172-A182 WeakPolarHBondContact CA-O 3.27Å; I172-A182 WeakPolarHBondContact CG1-O 3.32Å; C173-A182 PolarHBondContact N-O 2.84Å; C173-A182 PolarHBondContact O-N 2.88Å; A182-I191 WeakPolarHBondContact CA-O 3.34Å; A182-I192 HydrophobicContact CB-CD1 3.68Å; A182-V214 HydrophobicContact CB-CG2 4.43Å; A182-F216 HydrophobicContact CB-CE2 3.8Å; A182-F216 HydrophobicContact CB-CZ 4.2Å; A182-L223 HydrophobicContact CB-CD1 3.91Å; A182-L223 HydrophobicContact CB-CD2 4.07Å
183	S	98.4	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.7	170.7	63.2	0	0	0	0	110.7	H165 S171 V190 I191 W193	H165-S183 PolarHBondContact CD2-OG 3.32Å; H165-S183 PolarHBondContact NE2-O 2.93Å; H165-S183 PolarHBondContact NE2-OG 2.76Å; S171-S183 WeakPolarHBondContact O-CA 3.26Å; S183-V190 CarbonylContact O-C 3.43Å; S183-V190 VanDerWaalsContact O-CA 3.29Å; S183-V190 WeakPolarHBondContact O-CA 3.3Å; S183-I191 PolarHBondContact N-O 3.09Å; S183-I191 PolarHBondContact O-N 2.8Å; S183-W193 PolarHBondContact OG-NE1 2.94Å
184	S	97.6	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.2	177.7	74.2	0	0	0	0	111.8	I169 L170 S171 S189 V211	I169-S184 CarbonylContact C-O 3.58Å; I169-S184 WeakPolarHBondContact CA-O 3.33Å; I169-S184 VanDerWaalsContact CG2-O 3.26Å; I169-S184 WeakPolarHBondContact CG2-O 3.28Å; L170-S184 PolarHBondContact N-O 2.86Å; S171-S184 PolarHBondContact N-O 3.13Å; S171-S184 PolarHBondContact O-N 3.15Å; S184-S189 WeakPolarHBondContact CA-O 3.43Å; S184-V211 WeakPolarHBondContact CB-O 3.39Å; S184-V211 PolarHBondContact OG-O 2.91Å
185	G	95.8	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-175.7	-178.2	0	0	0	0	0	116.2	P168 D187 H188 S189 V211	P168-G185 CarbonylContact O-C 3.57Å; P168-G185 WeakPolarHBondContact O-CA 3.48Å; G185-D187 PolarHBondContact O-N 3.01Å; G185-D187 VanDerWaalsContact O-N 3.15Å; G185-H188 PolarHBondContact O-N 2.78Å; G185-S189 PolarHBondContact N-O 2.78Å; G185-V211 PolarHBondContact O-N 2.78Å
186	M	95.5	Very high	96.2	Very high	80 Å²	80	32 Å²	32	39%	0.394	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.5	176.6	-68.8	-66.6	-71.8	0	0	113.8	P168 L170 H188 P210	P168-M186 HydrophobicContact CB-CB 4.43Å; P168-M186 HydrophobicContact CB-CG 3.93Å; P168-M186 HydrophobicContact CG-CB 4.49Å; P168-M186 HydrophobicContact CG-CG 4.21Å; P168-M186 PolarHBondContact O-N 2.87Å; L170-M186 HydrophobicContact CD1-CG 4.04Å; L170-M186 HydrophobicContact CD1-SD 3.73Å; L170-M186 HydrophobicContact CD2-CG 4.18Å; L170-M186 HydrophobicContact CD2-SD 4.41Å; L170-M186 HydrophobicContact CG-CG 4.2Å; L170-M186 HydrophobicContact CG-SD 4.46Å; M186-H188 VanDerWaalsContact C-N 3.25Å; M186-H188 PolarHBondContact O-CD2 3.16Å; M186-P210 HydrophobicContact CE-CB 4.48Å; M186-P210 HydrophobicContact CE-CG 4.07Å; M186-P210 HydrophobicContact SD-CB 3.74Å; M186-P210 HydrophobicContact SD-CG 3.97Å
187	D	94.4	Very high	96.2	Very high	28 Å²	28	34 Å²	34	15%	0.15	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.4	174.7	69.9	-6.5	0	0	0	113.5	H165 T166 G185 S189	H165-D187 WeakPolarHBondContact CA-OD2 3.04Å; H165-D187 IonicContact CE1-OD1 3.9Å; H165-D187 IonicContact CG-OD2 3.4Å; H165-D187 IonicContact ND1-OD1 2.72Å; H165-D187 PolarHBondContact ND1-OD1 2.6Å; H165-D187 VanDerWaalsContact ND1-OD1 3.09Å; H165-D187 IonicContact ND1-OD2 3.39Å; H165-D187 PolarHBondContact ND1-OD2 3.24Å; T166-D187 PolarHBondContact N-OD2 2.95Å; T166-D187 WeakPolarHBondContact OG1-CB 3.47Å; G185-D187 PolarHBondContact O-N 3.01Å; G185-D187 VanDerWaalsContact O-N 3.15Å; D187-S189 PolarHBondContact O-N 2.96Å; D187-S189 PolarHBondContact OD1-N 2.95Å; D187-S189 PolarHBondContact OD1-OG 3.42Å; D187-S189 PolarHBondContact OD2-OG 3.28Å
188	H	94.9	Very high	96.3	Very high	72 Å²	72	31.1 Å²	31.1	33%	0.333	15%	0.152	S	C	.	.	S	Bend	trans	66.1	9.2	174.2	-41.5	171.7	0	0	0	113.5	G185 M186 K208 V209 P210	G185-H188 PolarHBondContact O-N 2.78Å; M186-H188 VanDerWaalsContact C-N 3.25Å; M186-H188 PolarHBondContact O-CD2 3.16Å; H188-K208 PolarHBondContact CE1-O 2.8Å; H188-K208 PolarHBondContact ND1-O 3.33Å; H188-K208 VanDerWaalsContact ND1-O 3.14Å; H188-V209 WeakPolarHBondContact CB-O 3.4Å; H188-V209 VanDerWaalsContact CD2-C 3.4Å; H188-P210 VanDerWaalsContact CD2-N 3.26Å; H188-P210 WeakPolarHBondContact NE2-CD 3.26Å
189	S	94.7	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.			trans	-106.2	149.2	-175.9	74.8	0	0	0	0	111.6	H165 S184 G185 D187 K203	H165-S189 PolarHBondContact CE1-OG 3.39Å; H165-S189 PolarHBondContact ND1-OG 2.9Å; S184-S189 WeakPolarHBondContact CA-O 3.43Å; G185-S189 PolarHBondContact N-O 2.78Å; D187-S189 PolarHBondContact O-N 2.96Å; D187-S189 PolarHBondContact OD1-N 2.95Å; D187-S189 PolarHBondContact OD1-OG 3.42Å; D187-S189 PolarHBondContact OD2-OG 3.28Å; S189-K203 VanDerWaalsContact CB-CE 3.44Å; S189-K203 WeakPolarHBondContact OG-CE 3.23Å
190	V	96.9	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.1	163.3	-179.7	0	0	0	0	107.6	S183 I192 L204 V211 V214 L223 T225	S183-V190 CarbonylContact O-C 3.43Å; S183-V190 VanDerWaalsContact O-CA 3.29Å; S183-V190 WeakPolarHBondContact O-CA 3.3Å; V190-I192 HydrophobicContact CG1-CD1 4.12Å; V190-L204 HydrophobicContact CB-CB 4.15Å; V190-L204 HydrophobicContact CB-CD1 4.19Å; V190-L204 HydrophobicContact CG1-CD1 4.11Å; V190-L204 PolarHBondContact N-O 3.11Å; V190-L204 VanDerWaalsContact N-O 3.15Å; V190-L204 PolarHBondContact O-N 2.92Å; V190-V211 HydrophobicContact CG2-CB 4.23Å; V190-V211 HydrophobicContact CG2-CG1 3.65Å; V190-V211 HydrophobicContact CG2-CG2 4.21Å; V190-V214 HydrophobicContact CG1-CG1 4.11Å; V190-V214 HydrophobicContact CG2-CG1 4.09Å; V190-L223 HydrophobicContact CG1-CD2 4.32Å; V190-T225 HydrophobicContact CG1-CG2 4.2Å; V190-T225 HydrophobicContact CG2-CG2 3.91Å
191	I	96.9	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	179.2	-55.5	-178.5	0	0	0	108.3	Y164 A182 S183 W193 V200 K203	Y164-I191 VanDerWaalsContact C-CD1 3.43Å; A182-I191 WeakPolarHBondContact CA-O 3.34Å; S183-I191 PolarHBondContact N-O 3.09Å; S183-I191 PolarHBondContact O-N 2.8Å; I191-W193 HydrophobicContact CB-CZ2 3.73Å; I191-W193 HydrophobicContact CD1-CH2 4.28Å; I191-W193 HydrophobicContact CD1-CZ2 3.93Å; I191-W193 HydrophobicContact CG1-CZ2 4.42Å; I191-W193 HydrophobicContact CG2-CD2 3.8Å; I191-W193 HydrophobicContact CG2-CE3 4.28Å; I191-W193 HydrophobicContact CG2-CG 4.36Å; I191-W193 HydrophobicContact CG2-CH2 3.98Å; I191-W193 HydrophobicContact CG2-CZ2 3.45Å; I191-W193 VanDerWaalsContact CG2-CZ2 3.45Å; I191-W193 HydrophobicContact CG2-CZ3 4.36Å; I191-W193 PolarHBondContact O-NE1 3.09Å; I191-V200 HydrophobicContact CG2-CB 4.43Å; I191-V200 HydrophobicContact CG2-CG1 3.88Å; I191-V200 HydrophobicContact CG2-CG2 3.82Å; I191-K203 HydrophobicContact CD1-CD 4.33Å; I191-K203 HydrophobicContact CG1-CD 4.24Å; I191-K203 HydrophobicContact CG1-CG 4.06Å
192	I	97.5	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.5	173.3	-49.5	-57.8	0	0	0	107.8	Y180 L181 A182 V190 F201 M202 L204 L223 M237	Y180-I192 HydrophobicContact CD1-CG2 3.97Å; L181-I192 CarbonylContact O-C 3.59Å; L181-I192 VanDerWaalsContact O-CA 3.3Å; L181-I192 WeakPolarHBondContact O-CA 3.48Å; A182-I192 HydrophobicContact CB-CD1 3.68Å; V190-I192 HydrophobicContact CG1-CD1 4.12Å; I192-F201 HydrophobicContact CB-CB 4.49Å; I192-F201 HydrophobicContact CG2-CB 4.25Å; I192-F201 HydrophobicContact CG2-CD1 4.39Å; I192-F201 WeakPolarHBondContact O-CB 3.43Å; I192-F201 PolarHBondContact O-N 2.88Å; I192-M202 HydrophobicContact CB-CG 3.87Å; I192-M202 HydrophobicContact CG1-CG 3.87Å; I192-M202 PolarHBondContact N-O 2.74Å; I192-M202 PolarHBondContact O-N 2.86Å; I192-L204 HydrophobicContact CD1-CD1 4.19Å; I192-L204 HydrophobicContact CG1-CD1 4.17Å; I192-L204 HydrophobicContact CG1-CG 4.48Å; I192-L223 HydrophobicContact CD1-CD2 3.63Å; I192-M237 HydrophobicContact CD1-CE 4.24Å; I192-M237 HydrophobicContact CD1-SD 4.25Å; I192-M237 HydrophobicContact CG1-CE 4.25Å; I192-M237 HydrophobicContact CG1-SD 3.92Å; I192-M237 HydrophobicContact CG2-SD 4.13Å
193	W	97.2	Very high	95.7	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152	-177.8	-38.4	77.1	0	0	0	109.8	V139 I153 Y164 L181 S183 I191 P195 K199 V200	V139-W193 HydrophobicContact CG2-CH2 4.47Å; V139-W193 HydrophobicContact CG2-CZ2 3.97Å; I153-W193 HydrophobicContact CD1-CE3 4.03Å; I153-W193 HydrophobicContact CD1-CH2 4.47Å; I153-W193 HydrophobicContact CD1-CZ3 3.62Å; I153-W193 HydrophobicContact CG2-CH2 4.32Å; I153-W193 HydrophobicContact CG2-CZ3 4.26Å; Y164-W193 AromaticContact CD1-CH2 3.57Å; Y164-W193 HydrophobicContact CD1-CH2 3.57Å; Y164-W193 AromaticContact CD1-CZ3 3.49Å; Y164-W193 HydrophobicContact CD1-CZ3 3.49Å; Y164-W193 VanDerWaalsContact CD1-CZ3 3.49Å; Y164-W193 HydrophobicContact CE1-CH2 4.39Å; Y164-W193 AromaticContact CE1-CZ3 3.86Å; Y164-W193 HydrophobicContact CE1-CZ3 3.86Å; Y164-W193 HydrophobicContact CG-CH2 4.12Å; Y164-W193 HydrophobicContact CG-CZ3 4.37Å; L181-W193 HydrophobicContact CB-CB 4.13Å; L181-W193 HydrophobicContact CD2-CB 4.2Å; L181-W193 HydrophobicContact CD2-CG 4.2Å; L181-W193 PolarHBondContact N-O 2.77Å; L181-W193 PolarHBondContact O-N 2.8Å; S183-W193 PolarHBondContact OG-NE1 2.94Å; I191-W193 HydrophobicContact CB-CZ2 3.73Å; I191-W193 HydrophobicContact CD1-CH2 4.28Å; I191-W193 HydrophobicContact CD1-CZ2 3.93Å; I191-W193 HydrophobicContact CG1-CZ2 4.42Å; I191-W193 HydrophobicContact CG2-CD2 3.8Å; I191-W193 HydrophobicContact CG2-CE3 4.28Å; I191-W193 HydrophobicContact CG2-CG 4.36Å; I191-W193 HydrophobicContact CG2-CH2 3.98Å; I191-W193 HydrophobicContact CG2-CZ2 3.45Å; I191-W193 VanDerWaalsContact CG2-CZ2 3.45Å; I191-W193 HydrophobicContact CG2-CZ3 4.36Å; I191-W193 PolarHBondContact O-NE1 3.09Å; W193-P195 WeakPolarHBondContact O-CD 3.26Å; W193-K199 CarbonylContact C-O 3.59Å; W193-K199 VanDerWaalsContact CA-O 3.28Å; W193-K199 WeakPolarHBondContact CA-O 3.45Å; W193-V200 HydrophobicContact CD2-CG2 4.32Å; W193-V200 HydrophobicContact CE3-CG2 3.53Å; W193-V200 HydrophobicContact CH2-CG2 4.05Å; W193-V200 HydrophobicContact CZ3-CG2 3.38Å
194	N	96.5	Very high	95.5	Very high	50 Å²	50	40.1 Å²	40.1	27%	0.267	19%	0.193	S	C	.	.			trans	-78.9	114.6	157.8	175	3.3	0	0	0	108	Q196 D197 M198 K199	N194-Q196 PolarHBondContact O-N 2.87Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.47Å; N194-Q196 PolarHBondContact OD1-N 3.14Å; N194-D197 WeakPolarHBondContact CB-OD1 3.44Å; N194-D197 PolarHBondContact ND2-OD1 2.54Å; N194-M198 WeakPolarHBondContact O-CA 3.42Å; N194-M198 PolarHBondContact O-N 2.86Å; N194-K199 PolarHBondContact N-O 3.22Å
195	P	96.6	Very high	95.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.032	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.9	-177.8	25.6	-32.9	0	0	0	113.7	F131 K141 I174 S178 K179 L181 W193	F131-P195 HydrophobicContact CE1-CB 4.02Å; F131-P195 HydrophobicContact CE2-CB 4.32Å; F131-P195 HydrophobicContact CZ-CB 3.59Å; K141-P195 WeakPolarHBondContact CE-O 3.43Å; K141-P195 PolarHBondContact NZ-O 2.84Å; I174-P195 HydrophobicContact CD1-CB 4.04Å; I174-P195 HydrophobicContact CD1-CG 4.26Å; S178-P195 WeakPolarHBondContact O-CG 3.31Å; K179-P195 WeakPolarHBondContact O-CD 3.47Å; L181-P195 HydrophobicContact CB-CB 4.17Å; W193-P195 WeakPolarHBondContact O-CD 3.26Å
196	Q	95	Very high	95	Very high	157 Å²	157	48.3 Å²	48.3	73%	0.734	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-56.2	179.8	-67.7	-170.2	-16.2	0	0	111.8	K141 N194	K141-Q196 PolarHBondContact NZ-O 2.97Å; N194-Q196 PolarHBondContact O-N 2.87Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.47Å; N194-Q196 PolarHBondContact OD1-N 3.14Å
197	D	95.1	Very high	94.8	Very high	73 Å²	73	44.9 Å²	44.9	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.1	-176.9	67.6	-1.1	0	0	0	113.7	N194 K199	N194-D197 WeakPolarHBondContact CB-OD1 3.44Å; N194-D197 PolarHBondContact ND2-OD1 2.54Å; D197-K199 HydrophobicContact CB-CG 4.36Å; D197-K199 PolarHBondContact O-N 3.09Å; D197-K199 WeakPolarHBondContact OD1-CB 3.02Å; D197-K199 PolarHBondContact OD1-N 2.85Å; D197-K199 WeakPolarHBondContact OD2-CD 3.36Å; D197-K199 WeakPolarHBondContact OD2-CE 3.21Å; D197-K199 WeakPolarHBondContact OD2-CG 3.46Å; D197-K199 IonicContact OD2-NZ 3.7Å; D197-K199 PolarHBondContact OD2-NZ 3.09Å
198	M	96.2	Very high	94.7	Very high	6 Å²	6	51 Å²	51	3%	0.03	24%	0.242	C	C	.	.			trans	56.6	25.1	-176.5	-66.6	-63.1	-63.1	0	0	113.9	F131 V139 K141 C151 I153 L181 N194	F131-M198 HydrophobicContact CD1-CE 4.32Å; F131-M198 HydrophobicContact CD1-SD 3.77Å; F131-M198 HydrophobicContact CE1-SD 3.55Å; F131-M198 VanDerWaalsContact CE1-SD 3.55Å; V139-M198 HydrophobicContact CB-CE 4.4Å; V139-M198 HydrophobicContact CG1-CE 3.57Å; K141-M198 HydrophobicContact CB-CG 4.01Å; K141-M198 HydrophobicContact CB-SD 4.09Å; K141-M198 HydrophobicContact CD-CG 3.78Å; K141-M198 HydrophobicContact CD-SD 4.16Å; C151-M198 HydrophobicContact CB-CG 4.18Å; I153-M198 HydrophobicContact CD1-CB 3.89Å; I153-M198 HydrophobicContact CD1-CE 4.2Å; I153-M198 WeakPolarHBondContact CD1-O 3.41Å; L181-M198 HydrophobicContact CD2-CE 3.98Å; L181-M198 HydrophobicContact CD2-SD 4.05Å; N194-M198 WeakPolarHBondContact O-CA 3.42Å; N194-M198 PolarHBondContact O-N 2.86Å
199	K	95.6	Very high	94.6	Very high	137 Å²	137	49.7 Å²	49.7	60%	0.596	24%	0.239	S	C	*	.			trans	-81.4	146.8	173.4	-67	-176.2	-165.3	153.3	0	111.2	W193 N194 D197 F201	W193-K199 CarbonylContact C-O 3.59Å; W193-K199 VanDerWaalsContact CA-O 3.28Å; W193-K199 WeakPolarHBondContact CA-O 3.45Å; N194-K199 PolarHBondContact N-O 3.22Å; D197-K199 HydrophobicContact CB-CG 4.36Å; D197-K199 PolarHBondContact O-N 3.09Å; D197-K199 WeakPolarHBondContact OD1-CB 3.02Å; D197-K199 PolarHBondContact OD1-N 2.85Å; D197-K199 WeakPolarHBondContact OD2-CD 3.36Å; D197-K199 WeakPolarHBondContact OD2-CE 3.21Å; D197-K199 WeakPolarHBondContact OD2-CG 3.46Å; D197-K199 IonicContact OD2-NZ 3.7Å; D197-K199 PolarHBondContact OD2-NZ 3.09Å; K199-F201 PolarHBondContact O-N 3.01Å
200	V	94.9	Very high	94.7	Very high	49 Å²	49	50.8 Å²	50.8	30%	0.297	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.5	173.7	174.7	0	0	0	0	108.9	Y164 I191 W193	Y164-V200 HydrophobicContact CD1-CG2 3.62Å; Y164-V200 HydrophobicContact CE1-CG2 3.55Å; I191-V200 HydrophobicContact CG2-CB 4.43Å; I191-V200 HydrophobicContact CG2-CG1 3.88Å; I191-V200 HydrophobicContact CG2-CG2 3.82Å; W193-V200 HydrophobicContact CD2-CG2 4.32Å; W193-V200 HydrophobicContact CE3-CG2 3.53Å; W193-V200 HydrophobicContact CH2-CG2 4.05Å; W193-V200 HydrophobicContact CZ3-CG2 3.38Å
201	F	92.8	Very high	94.6	Very high	103 Å²	103	50.8 Å²	50.8	45%	0.452	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-47.4	168.7	-174	-103.6	0	0	0	109.8	I192 K199 P238	I192-F201 HydrophobicContact CB-CB 4.49Å; I192-F201 HydrophobicContact CG2-CB 4.25Å; I192-F201 HydrophobicContact CG2-CD1 4.39Å; I192-F201 WeakPolarHBondContact O-CB 3.43Å; I192-F201 PolarHBondContact O-N 2.88Å; K199-F201 PolarHBondContact O-N 3.01Å; F201-P238 HydrophobicContact CE1-CB 3.63Å; F201-P238 HydrophobicContact CZ-CB 3.65Å
202	M	93.8	Very high	94.6	Very high	13 Å²	13	51 Å²	51	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	165.2	175.3	64.6	179.2	-57.3	0	0	113.7	I192 L204 M237 K240	I192-M202 HydrophobicContact CB-CG 3.87Å; I192-M202 HydrophobicContact CG1-CG 3.87Å; I192-M202 PolarHBondContact N-O 2.74Å; I192-M202 PolarHBondContact O-N 2.86Å; M202-L204 HydrophobicContact CE-CD2 3.18Å; M202-L204 HydrophobicContact CE-CG 4.18Å; M202-L204 HydrophobicContact SD-CD2 3.99Å; M202-M237 HydrophobicContact SD-SD 4.5Å; M202-K240 HydrophobicContact CE-CB 3.51Å; M202-K240 HydrophobicContact CE-CD 3.62Å; M202-K240 HydrophobicContact CE-CG 3.27Å; M202-K240 HydrophobicContact SD-CB 4.49Å; M202-K240 HydrophobicContact SD-CG 3.93Å
203	K	93.3	Very high	94.6	Very high	63 Å²	63	51.1 Å²	51.1	27%	0.274	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.6	174.4	-173.3	164.8	-172.3	170.3	0	109.6	Y162 Y164 S189 I191 L205	Y162-K203 PolarHBondContact O-NZ 2.82Å; Y164-K203 PolarHBondContact O-NZ 2.94Å; S189-K203 VanDerWaalsContact CB-CE 3.44Å; S189-K203 WeakPolarHBondContact OG-CE 3.23Å; I191-K203 HydrophobicContact CD1-CD 4.33Å; I191-K203 HydrophobicContact CG1-CD 4.24Å; I191-K203 HydrophobicContact CG1-CG 4.06Å; K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.04Å; K203-L205 HydrophobicContact CG-CG 4.19Å
204	L	93.7	Very high	94.6	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.8	178.6	-54.6	170.6	0	0	0	108.7	V190 I192 M202 L223 W235 M237	V190-L204 HydrophobicContact CB-CB 4.15Å; V190-L204 HydrophobicContact CB-CD1 4.19Å; V190-L204 HydrophobicContact CG1-CD1 4.11Å; V190-L204 PolarHBondContact N-O 3.11Å; V190-L204 VanDerWaalsContact N-O 3.15Å; V190-L204 PolarHBondContact O-N 2.92Å; I192-L204 HydrophobicContact CD1-CD1 4.19Å; I192-L204 HydrophobicContact CG1-CD1 4.17Å; I192-L204 HydrophobicContact CG1-CG 4.48Å; M202-L204 HydrophobicContact CE-CD2 3.18Å; M202-L204 HydrophobicContact CE-CG 4.18Å; M202-L204 HydrophobicContact SD-CD2 3.99Å; L204-L223 HydrophobicContact CD1-CD2 4.42Å; L204-W235 HydrophobicContact CB-CH2 3.95Å; L204-W235 HydrophobicContact CB-CZ2 4.31Å; L204-W235 HydrophobicContact CB-CZ3 4.38Å; L204-W235 HydrophobicContact CD1-CD2 3.95Å; L204-W235 HydrophobicContact CD1-CE3 4.08Å; L204-W235 HydrophobicContact CD1-CG 4.42Å; L204-W235 HydrophobicContact CD1-CH2 4.26Å; L204-W235 HydrophobicContact CD1-CZ2 4.22Å; L204-W235 HydrophobicContact CD1-CZ3 4.24Å; L204-W235 HydrophobicContact CD2-CE3 3.91Å; L204-W235 HydrophobicContact CD2-CH2 4.07Å; L204-W235 HydrophobicContact CD2-CZ3 3.62Å; L204-W235 HydrophobicContact CG-CH2 4.33Å; L204-W235 HydrophobicContact CG-CZ3 4.3Å; L204-M237 HydrophobicContact CD1-CE 4.23Å
205	L	91.2	Very high	94.6	Very high	118 Å²	118	49.7 Å²	49.7	62%	0.618	24%	0.243	S	C	*	.			trans	-117.8	46.9	-175.4	-64.7	175	0	0	0	111.6	K203	K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.04Å; K203-L205 HydrophobicContact CG-CG 4.19Å
206	H	91.5	Very high	94.7	Very high	53 Å²	53	50 Å²	50	25%	0.245	24%	0.243	C	C	.	.			trans	-92.6	-42.5	-176.9	-177.7	71.3	0	0	0	113	C233 W235 V242 D245	H206-C233 VanDerWaalsContact CD2-SG 3.55Å; H206-W235 HydrophobicContact CB-CH2 3.49Å; H206-W235 VanDerWaalsContact CB-CH2 3.49Å; H206-W235 HydrophobicContact CB-CZ2 3.91Å; H206-V242 HydrophobicContact CB-CG2 4.3Å; H206-D245 IonicContact CD2-OD2 3.24Å; H206-D245 IonicContact CE1-OD2 3.4Å; H206-D245 PolarHBondContact CE1-OD2 2.78Å; H206-D245 IonicContact NE2-OD2 2.68Å; H206-D245 PolarHBondContact NE2-OD2 2.92Å
207	H	92.5	Very high	94.8	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.037	22%	0.217	C	C	.	.			trans	-66	145	176.9	-64.6	-81.6	0	0	0	111.3	V211 T225 D227	H207-V211 HydrophobicContact CB-CG2 3.48Å; H207-V211 VanDerWaalsContact CB-CG2 3.48Å; H207-T225 PolarHBondContact NE2-OG1 2.98Å; H207-D227 HydrophobicContact CB-CB 4.46Å; H207-D227 IonicContact CE1-OD2 2.6Å; H207-D227 IonicContact CG-OD2 3.83Å; H207-D227 IonicContact ND1-OD2 3.7Å; H207-D227 PolarHBondContact ND1-OD2 2.87Å
208	K	92.3	Very high	94.6	Very high	156 Å²	156	42.6 Å²	42.6	68%	0.678	21%	0.207	S	C	*	.	S	Bend	trans	-105.7	-7.5	-179.4	-57.4	-55.9	179.7	-170	0	113.2	H188	H188-K208 PolarHBondContact CE1-O 2.8Å; H188-K208 PolarHBondContact ND1-O 3.33Å; H188-K208 VanDerWaalsContact ND1-O 3.14Å
209	V	93.5	Very high	94.3	Very high	45 Å²	45	48 Å²	48	27%	0.273	23%	0.233	S	C	.	.	S	Bend	trans	-132.2	168.2	179.7	-59	0	0	0	0	108.9	H188 V211 D227	H188-V209 WeakPolarHBondContact CB-O 3.4Å; H188-V209 VanDerWaalsContact CD2-C 3.4Å; V209-V211 PolarHBondContact O-N 2.9Å; V209-D227 HydrophobicContact CG2-CB 3.74Å
210	P	95	Very high	94.2	Very high	23 Å²	23	42.8 Å²	42.8	15%	0.149	21%	0.213	C	C	.	.			trans	-49.4	132.3	179.5	-34.6	40.3	0	0	0	114.4	M186 H188 T212 D227 C228	M186-P210 HydrophobicContact CE-CB 4.48Å; M186-P210 HydrophobicContact CE-CG 4.07Å; M186-P210 HydrophobicContact SD-CB 3.74Å; M186-P210 HydrophobicContact SD-CG 3.97Å; H188-P210 VanDerWaalsContact CD2-N 3.26Å; H188-P210 WeakPolarHBondContact NE2-CD 3.26Å; P210-T212 PolarHBondContact O-N 2.83Å; P210-D227 VanDerWaalsContact O-CA 3.29Å; P210-D227 WeakPolarHBondContact O-CA 2.95Å; P210-D227 VanDerWaalsContact O-CB 3.29Å; P210-D227 WeakPolarHBondContact O-CB 3.48Å; P210-C228 PolarHBondContact O-N 2.81Å
211	V	96.4	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	102.3	179.3	-174.5	0	0	0	0	108.7	S184 G185 V190 H207 V209 V214 A226	S184-V211 WeakPolarHBondContact CB-O 3.39Å; S184-V211 PolarHBondContact OG-O 2.91Å; G185-V211 PolarHBondContact O-N 2.78Å; V190-V211 HydrophobicContact CG2-CB 4.23Å; V190-V211 HydrophobicContact CG2-CG1 3.65Å; V190-V211 HydrophobicContact CG2-CG2 4.21Å; H207-V211 HydrophobicContact CB-CG2 3.48Å; H207-V211 VanDerWaalsContact CB-CG2 3.48Å; V209-V211 PolarHBondContact O-N 2.9Å; V211-V214 HydrophobicContact CG1-CG1 4.33Å; V211-A226 CarbonylContact C-O 3.6Å; V211-A226 WeakPolarHBondContact CA-O 3.2Å; V211-A226 WeakPolarHBondContact CG1-O 3.39Å
212	T	96	Very high	94.4	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-32.7	-169.5	50.6	0	0	0	0	113	L170 P210 A226 C228 V254 F443	L170-T212 HydrophobicContact CD1-CG2 4.37Å; P210-T212 PolarHBondContact O-N 2.83Å; T212-A226 PolarHBondContact N-O 3.37Å; T212-A226 PolarHBondContact OG1-O 3.31Å; T212-C228 HydrophobicContact CG2-CB 3.88Å; T212-V254 VanDerWaalsContact CB-O 3.3Å; T212-V254 WeakPolarHBondContact CB-O 3.33Å; T212-V254 PolarHBondContact OG1-O 3.32Å; T212-F443 HydrophobicContact CG2-CE1 4.18Å
213	A	96.8	Very high	94.6	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.7	-173.5	0	0	0	0	0	113.1	A226 L257	A213-A226 HydrophobicContact CB-CB 4.47Å; A213-A226 PolarHBondContact N-O 3.42Å; A213-A226 PolarHBondContact O-N 3.48Å; A213-L257 HydrophobicContact CB-CB 3.85Å; A213-L257 HydrophobicContact CB-CD1 4.01Å; A213-L257 HydrophobicContact CB-CG 3.84Å
214	V	97.8	Very high	94.8	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.9	170.8	-66.9	0	0	0	0	110.3	S171 C173 A182 V190 V211 L223 F224 T225	S171-V214 PolarHBondContact OG-N 3.38Å; S171-V214 VanDerWaalsContact OG-N 3.09Å; S171-V214 PolarHBondContact OG-O 2.68Å; C173-V214 VanDerWaalsContact SG-C 3.58Å; C173-V214 PolarHBondContact SG-O 2.97Å; C173-V214 VanDerWaalsContact SG-O 3.42Å; A182-V214 HydrophobicContact CB-CG2 4.43Å; V190-V214 HydrophobicContact CG1-CG1 4.11Å; V190-V214 HydrophobicContact CG2-CG1 4.09Å; V211-V214 HydrophobicContact CG1-CG1 4.33Å; V214-L223 HydrophobicContact CB-CD1 4.37Å; V214-F224 VanDerWaalsContact CA-O 3.31Å; V214-F224 WeakPolarHBondContact CA-O 3.38Å; V214-T225 HydrophobicContact CG1-CG2 3.87Å
215	S	97.8	Very high	94.9	Very high	18 Å²	18	34.6 Å²	34.6	13%	0.126	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	133.6	174.9	-172.3	0	0	0	0	110.8	C173 F224 G259	C173-S215 VanDerWaalsContact SG-CA 3.53Å; S215-F224 PolarHBondContact N-O 2.85Å; S215-F224 WeakPolarHBondContact O-CB 3.12Å; S215-F224 WeakPolarHBondContact O-CD2 3.49Å; S215-F224 PolarHBondContact O-N 2.83Å; S215-G259 PolarHBondContact OG-N 2.86Å
216	F	97.7	Very high	95.1	Very high	11 Å²	11	29 Å²	29	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	151.7	164.7	-76.7	-80	0	0	0	110.6	I174 A182 M222 L223 M237 G259	I174-F216 VanDerWaalsContact C-CD2 3.47Å; A182-F216 HydrophobicContact CB-CE2 3.8Å; A182-F216 HydrophobicContact CB-CZ 4.2Å; F216-M222 WeakPolarHBondContact CA-O 3.5Å; F216-L223 HydrophobicContact CD1-CB 3.99Å; F216-L223 HydrophobicContact CD1-CD1 4.16Å; F216-L223 HydrophobicContact CD2-CD1 4.06Å; F216-L223 HydrophobicContact CE1-CB 3.76Å; F216-L223 HydrophobicContact CE1-CD1 4.08Å; F216-L223 HydrophobicContact CE1-CG 4.4Å; F216-L223 HydrophobicContact CE2-CD1 3.98Å; F216-L223 HydrophobicContact CG-CD1 4.15Å; F216-L223 HydrophobicContact CZ-CB 4.34Å; F216-L223 HydrophobicContact CZ-CD1 3.98Å; F216-M237 HydrophobicContact CE1-CG 4.12Å; F216-M237 HydrophobicContact CZ-CG 4.48Å; F216-G259 WeakPolarHBondContact O-CA 3.27Å
217	R	96.3	Very high	95.2	Very high	46 Å²	46	26.6 Å²	26.6	17%	0.174	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-70.9	144.5	162.4	-176	-171.2	166.8	-160.2	0.7	109.2	H219 S220 M222 F224 L260 V261 S262 E263	R217-H219 PolarHBondContact O-N 2.79Å; R217-S220 PolarHBondContact O-N 3.24Å; R217-M222 HydrophobicContact CB-CB 4.01Å; R217-M222 PolarHBondContact N-O 3.38Å; R217-F224 HydrophobicContact CB-CE2 3.86Å; R217-F224 HydrophobicContact CB-CZ 4.45Å; R217-L260 WeakPolarHBondContact CG-O 3.47Å; R217-V261 VanDerWaalsContact CZ-O 3.3Å; R217-V261 PolarHBondContact NE-O 3.44Å; R217-V261 PolarHBondContact NH2-O 2.87Å; R217-S262 PolarHBondContact NE-O 2.88Å; R217-S262 VanDerWaalsContact NE-O 3.09Å; R217-E263 IonicContact CZ-OE1 3.42Å; R217-E263 IonicContact NH1-OE1 3.98Å; R217-E263 PolarHBondContact NH1-OE1 3.18Å
218	C	92.2	Very high	95.2	Very high	28 Å²	28	28.2 Å²	28.2	19%	0.189	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	136.8	179.4	-60.9	0	0	0	0	110.9	S220 L260 V261	C218-S220 PolarHBondContact O-N 2.83Å; C218-S220 VanDerWaalsContact O-N 3.15Å; C218-L260 PolarHBondContact N-O 2.98Å; C218-V261 HydrophobicContact CB-CG2 3.97Å
219	H	90.2	Very high	95.1	Very high	121 Å²	121	23.1 Å²	23.1	56%	0.56	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	26.1	178.4	-45.6	101.1	0	0	0	114.4	S176 R217	S176-H219 PolarHBondContact OG-N 3.46Å; R217-H219 PolarHBondContact O-N 2.79Å
220	S	93.6	Very high	94.9	Very high	27 Å²	27	21 Å²	21	19%	0.189	12%	0.116	C	C	.	.	S	Bend	trans	-143.8	160.1	-175.1	-179.2	0	0	0	0	111.5	R217 C218 M222	R217-S220 PolarHBondContact O-N 3.24Å; C218-S220 PolarHBondContact O-N 2.83Å; C218-S220 VanDerWaalsContact O-N 3.15Å; S220-M222 VanDerWaalsContact C-N 3.31Å; S220-M222 WeakPolarHBondContact OG-CB 3.44Å; S220-M222 PolarHBondContact OG-N 3.02Å
221	H	95.7	Very high	94.7	Very high	47 Å²	47	22.9 Å²	22.9	22%	0.218	12%	0.12	C	C	.	.	S	Bend	trans	-93	7.4	172.5	-66.1	169	0	0	0	112.9	D177 Y180 L223 M237	D177-H221 VanDerWaalsContact CG-NE2 3.27Å; D177-H221 IonicContact OD1-CD2 3.68Å; D177-H221 IonicContact OD1-NE2 3.44Å; D177-H221 PolarHBondContact OD1-NE2 3.47Å; D177-H221 IonicContact OD2-CD2 2.66Å; D177-H221 IonicContact OD2-CE1 3.8Å; D177-H221 PolarHBondContact OD2-CE1 2.72Å; D177-H221 IonicContact OD2-NE2 3.88Å; D177-H221 PolarHBondContact OD2-NE2 3.4Å; Y180-H221 AromaticContact CE2-CE1 3.74Å; Y180-H221 AromaticContact CE2-CG 3.88Å; Y180-H221 AromaticContact CE2-ND1 3.69Å; Y180-H221 AromaticContact CE2-NE2 3.95Å; H221-L223 PolarHBondContact O-N 3.33Å; H221-M237 HydrophobicContact CB-CB 4.13Å; H221-M237 PolarHBondContact O-N 3.4Å
222	M	96.2	Very high	94.6	Very high	14 Å²	14	23 Å²	23	7%	0.069	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120	172.5	-174.3	178.8	-72.1	0	0	110	F216 R217 S220 F224 V234 W235 E263 V281	F216-M222 WeakPolarHBondContact CA-O 3.5Å; R217-M222 HydrophobicContact CB-CB 4.01Å; R217-M222 PolarHBondContact N-O 3.38Å; S220-M222 VanDerWaalsContact C-N 3.31Å; S220-M222 WeakPolarHBondContact OG-CB 3.44Å; S220-M222 PolarHBondContact OG-N 3.02Å; M222-F224 HydrophobicContact CG-CE1 4.25Å; M222-F224 HydrophobicContact CG-CZ 4.06Å; M222-F224 HydrophobicContact SD-CE1 4.02Å; M222-F224 HydrophobicContact SD-CZ 3.69Å; M222-V234 HydrophobicContact CE-CG1 4.48Å; M222-V234 HydrophobicContact CG-CG1 3.69Å; M222-V234 HydrophobicContact SD-CG1 3.91Å; M222-W235 CarbonylContact C-O 3.53Å; M222-W235 VanDerWaalsContact CA-O 3.25Å; M222-W235 WeakPolarHBondContact CA-O 3.4Å; M222-E263 HydrophobicContact CE-CG 4.25Å; M222-V281 HydrophobicContact CE-CG1 4.46Å; M222-V281 HydrophobicContact SD-CG2 4.23Å
223	L	97.6	Very high	94.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.7	178.9	175.8	69.3	0	0	0	109.6	A182 V190 I192 L204 V214 F216 H221 T225 W235 M237	A182-L223 HydrophobicContact CB-CD1 3.91Å; A182-L223 HydrophobicContact CB-CD2 4.07Å; V190-L223 HydrophobicContact CG1-CD2 4.32Å; I192-L223 HydrophobicContact CD1-CD2 3.63Å; L204-L223 HydrophobicContact CD1-CD2 4.42Å; V214-L223 HydrophobicContact CB-CD1 4.37Å; F216-L223 HydrophobicContact CD1-CB 3.99Å; F216-L223 HydrophobicContact CD1-CD1 4.16Å; F216-L223 HydrophobicContact CD2-CD1 4.06Å; F216-L223 HydrophobicContact CE1-CB 3.76Å; F216-L223 HydrophobicContact CE1-CD1 4.08Å; F216-L223 HydrophobicContact CE1-CG 4.4Å; F216-L223 HydrophobicContact CE2-CD1 3.98Å; F216-L223 HydrophobicContact CG-CD1 4.15Å; F216-L223 HydrophobicContact CZ-CB 4.34Å; F216-L223 HydrophobicContact CZ-CD1 3.98Å; H221-L223 PolarHBondContact O-N 3.33Å; L223-T225 HydrophobicContact CD2-CG2 3.89Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; L223-W235 HydrophobicContact CB-CB 4.22Å; L223-W235 PolarHBondContact N-O 3.17Å; L223-W235 PolarHBondContact O-N 3.08Å; L223-M237 HydrophobicContact CB-CE 4.43Å; L223-M237 HydrophobicContact CD2-CE 4.07Å
224	F	96.9	Very high	94.5	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.5	168.8	-56.4	-67.8	0	0	0	109.5	V214 S215 R217 M222 C233 V234 L257 C265 V281	V214-F224 VanDerWaalsContact CA-O 3.31Å; V214-F224 WeakPolarHBondContact CA-O 3.38Å; S215-F224 PolarHBondContact N-O 2.85Å; S215-F224 WeakPolarHBondContact O-CB 3.12Å; S215-F224 WeakPolarHBondContact O-CD2 3.49Å; S215-F224 PolarHBondContact O-N 2.83Å; R217-F224 HydrophobicContact CB-CE2 3.86Å; R217-F224 HydrophobicContact CB-CZ 4.45Å; M222-F224 HydrophobicContact CG-CE1 4.25Å; M222-F224 HydrophobicContact CG-CZ 4.06Å; M222-F224 HydrophobicContact SD-CE1 4.02Å; M222-F224 HydrophobicContact SD-CZ 3.69Å; F224-C233 WeakPolarHBondContact CA-O 3.44Å; F224-V234 HydrophobicContact CD1-CG1 4.3Å; F224-V234 HydrophobicContact CD1-CG2 3.98Å; F224-V234 HydrophobicContact CE1-CG1 3.95Å; F224-V234 HydrophobicContact CE1-CG2 3.95Å; F224-L257 HydrophobicContact CB-CD1 4.02Å; F224-C265 HydrophobicContact CB-CB 4.45Å; F224-C265 HydrophobicContact CD1-CB 4.27Å; F224-C265 HydrophobicContact CD2-CB 3.53Å; F224-C265 HydrophobicContact CE1-CB 4.45Å; F224-C265 HydrophobicContact CE2-CB 3.71Å; F224-C265 HydrophobicContact CG-CB 3.82Å; F224-C265 HydrophobicContact CZ-CB 4.18Å; F224-V281 HydrophobicContact CE1-CG2 3.55Å; F224-V281 HydrophobicContact CZ-CG2 4Å
225	T	96.9	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.2	173.9	65.9	0	0	0	0	108.8	V190 H207 V214 L223 V232 C233 W235	V190-T225 HydrophobicContact CG1-CG2 4.2Å; V190-T225 HydrophobicContact CG2-CG2 3.91Å; H207-T225 PolarHBondContact NE2-OG1 2.98Å; V214-T225 HydrophobicContact CG1-CG2 3.87Å; L223-T225 HydrophobicContact CD2-CG2 3.89Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; T225-V232 CarbonylContact O-C 3.57Å; T225-V232 WeakPolarHBondContact O-CA 3.49Å; T225-C233 PolarHBondContact N-O 2.65Å; T225-C233 PolarHBondContact O-N 3.24Å; T225-W235 VanDerWaalsContact CG2-NE1 3.27Å; T225-W235 PolarHBondContact OG1-NE1 3.49Å
226	A	95	Very high	94.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.3	177.2	0	0	0	0	0	111.5	V211 T212 A213 R231 V232 V254 L257	V211-A226 CarbonylContact C-O 3.6Å; V211-A226 WeakPolarHBondContact CA-O 3.2Å; V211-A226 WeakPolarHBondContact CG1-O 3.39Å; T212-A226 PolarHBondContact N-O 3.37Å; T212-A226 PolarHBondContact OG1-O 3.31Å; A213-A226 HydrophobicContact CB-CB 4.47Å; A213-A226 PolarHBondContact N-O 3.42Å; A213-A226 PolarHBondContact O-N 3.48Å; A226-R231 VanDerWaalsContact CA-O 3.29Å; A226-R231 WeakPolarHBondContact CA-O 3.41Å; A226-V232 HydrophobicContact CB-CG2 4.04Å; A226-V254 HydrophobicContact CB-CB 3.92Å; A226-V254 HydrophobicContact CB-CG1 3.43Å; A226-V254 VanDerWaalsContact CB-CG1 3.43Å; A226-L257 HydrophobicContact CB-CD1 3.48Å; A226-L257 VanDerWaalsContact CB-CD1 3.48Å; A226-L257 HydrophobicContact CB-CD2 4.43Å; A226-L257 HydrophobicContact CB-CG 3.9Å
227	D	93.7	Very high	93.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	167.9	178.3	72.2	36.1	0	0	0	112.6	H207 V209 P210 S229 G230 R231	H207-D227 HydrophobicContact CB-CB 4.46Å; H207-D227 IonicContact CE1-OD2 2.6Å; H207-D227 IonicContact CG-OD2 3.83Å; H207-D227 IonicContact ND1-OD2 3.7Å; H207-D227 PolarHBondContact ND1-OD2 2.87Å; V209-D227 HydrophobicContact CG2-CB 3.74Å; P210-D227 VanDerWaalsContact O-CA 3.29Å; P210-D227 WeakPolarHBondContact O-CA 2.95Å; P210-D227 VanDerWaalsContact O-CB 3.29Å; P210-D227 WeakPolarHBondContact O-CB 3.48Å; D227-S229 PolarHBondContact O-N 2.66Å; D227-S229 VanDerWaalsContact O-N 3.14Å; D227-S229 WeakPolarHBondContact OD1-CA 3.46Å; D227-S229 WeakPolarHBondContact OD1-CB 3.42Å; D227-S229 PolarHBondContact OD1-N 3.46Å; D227-S229 PolarHBondContact OD1-OG 2.81Å; D227-G230 PolarHBondContact O-N 2.8Å; D227-G230 PolarHBondContact OD1-N 2.95Å; D227-R231 PolarHBondContact N-O 2.85Å; D227-R231 VanDerWaalsContact N-O 3.12Å; D227-R231 PolarHBondContact OD1-N 2.87Å
228	C	91.1	Very high	93.5	Very high	43 Å²	43	25.6 Å²	25.6	29%	0.291	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.8	-177	65.3	0	0	0	0	114.3	P210 T212 G230 E253	P210-C228 PolarHBondContact O-N 2.81Å; T212-C228 HydrophobicContact CG2-CB 3.88Å; C228-G230 VanDerWaalsContact C-N 3.26Å; C228-E253 HydrophobicContact CB-CG 4.43Å
229	S	90.5	Very high	93.1	Very high	49 Å²	49	28.5 Å²	28.5	34%	0.343	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.1	172.7	70.9	0	0	0	0	113.2	D227	D227-S229 PolarHBondContact O-N 2.66Å; D227-S229 VanDerWaalsContact O-N 3.14Å; D227-S229 WeakPolarHBondContact OD1-CA 3.46Å; D227-S229 WeakPolarHBondContact OD1-CB 3.42Å; D227-S229 PolarHBondContact OD1-N 3.46Å; D227-S229 PolarHBondContact OD1-OG 2.81Å
230	G	90	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	87.2	8.8	178.6	0	0	0	0	0	114.4	D227 C228 I252	D227-G230 PolarHBondContact O-N 2.8Å; D227-G230 PolarHBondContact OD1-N 2.95Å; C228-G230 VanDerWaalsContact C-N 3.26Å; G230-I252 WeakPolarHBondContact CA-O 3.12Å
231	R	91.4	Very high	92	Very high	62 Å²	62	36.1 Å²	36.1	23%	0.234	18%	0.184	C	C	.	.			trans	-80.1	131.4	176.7	165.9	-178.8	-133.5	-174.2	9.8	109.9	A226 D227 D245	A226-R231 VanDerWaalsContact CA-O 3.29Å; A226-R231 WeakPolarHBondContact CA-O 3.41Å; D227-R231 PolarHBondContact N-O 2.85Å; D227-R231 VanDerWaalsContact N-O 3.12Å; D227-R231 PolarHBondContact OD1-N 2.87Å; R231-D245 IonicContact CZ-OD1 3.36Å; R231-D245 IonicContact CZ-OD2 3.03Å; R231-D245 IonicContact NE-OD1 2.7Å; R231-D245 PolarHBondContact NE-OD1 2.89Å; R231-D245 IonicContact NE-OD2 3.23Å; R231-D245 PolarHBondContact NE-OD2 3.42Å; R231-D245 IonicContact NH1-OD2 3.96Å; R231-D245 IonicContact NH2-OD1 3.31Å; R231-D245 PolarHBondContact NH2-OD1 2.82Å; R231-D245 IonicContact NH2-OD2 2.56Å; R231-D245 PolarHBondContact NH2-OD2 3.23Å
232	V	93.4	Very high	91.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.1	173.5	-177.5	0	0	0	0	109.5	T225 A226 Q246 V254 W279	T225-V232 CarbonylContact O-C 3.57Å; T225-V232 WeakPolarHBondContact O-CA 3.49Å; A226-V232 HydrophobicContact CB-CG2 4.04Å; V232-Q246 PolarHBondContact N-O 2.93Å; V232-Q246 CarbonylContact O-C 3.47Å; V232-Q246 WeakPolarHBondContact O-CA 3.37Å; V232-Q246 PolarHBondContact O-N 2.89Å; V232-V254 HydrophobicContact CG2-CG2 4.43Å; V232-W279 HydrophobicContact CB-CD2 4.21Å; V232-W279 HydrophobicContact CB-CE3 4.12Å; V232-W279 HydrophobicContact CB-CH2 4.31Å; V232-W279 HydrophobicContact CB-CZ2 4.41Å; V232-W279 HydrophobicContact CB-CZ3 4.17Å; V232-W279 HydrophobicContact CG1-CD2 4.48Å; V232-W279 HydrophobicContact CG2-CD2 3.93Å; V232-W279 HydrophobicContact CG2-CE3 4.15Å; V232-W279 HydrophobicContact CG2-CH2 3.69Å; V232-W279 HydrophobicContact CG2-CZ2 3.44Å; V232-W279 VanDerWaalsContact CG2-CZ2 3.44Å; V232-W279 HydrophobicContact CG2-CZ3 4.04Å
233	C	94.5	Very high	90.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144	176.4	-59.4	0	0	0	0	110.6	H206 F224 T225 W235 V242 Q244	H206-C233 VanDerWaalsContact CD2-SG 3.55Å; F224-C233 WeakPolarHBondContact CA-O 3.44Å; T225-C233 PolarHBondContact N-O 2.65Å; T225-C233 PolarHBondContact O-N 3.24Å; C233-W235 HydrophobicContact CB-CZ2 4.25Å; C233-V242 HydrophobicContact CB-CG1 4.08Å; C233-Q244 CarbonylContact C-O 3.43Å; C233-Q244 WeakPolarHBondContact CA-O 3.36Å
234	V	95.3	Very high	90.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.6	177.6	-170.6	0	0	0	0	108.5	M222 F224 L243 Q244 V281	M222-V234 HydrophobicContact CE-CG1 4.48Å; M222-V234 HydrophobicContact CG-CG1 3.69Å; M222-V234 HydrophobicContact SD-CG1 3.91Å; F224-V234 HydrophobicContact CD1-CG1 4.3Å; F224-V234 HydrophobicContact CD1-CG2 3.98Å; F224-V234 HydrophobicContact CE1-CG1 3.95Å; F224-V234 HydrophobicContact CE1-CG2 3.95Å; V234-L243 PolarHBondContact O-N 3Å; V234-Q244 HydrophobicContact CB-CB 3.94Å; V234-Q244 HydrophobicContact CG2-CB 3.95Å; V234-Q244 PolarHBondContact N-O 3.47Å; V234-Q244 PolarHBondContact O-N 3.32Å; V234-V281 HydrophobicContact CG1-CG1 4.22Å; V234-V281 HydrophobicContact CG1-CG2 4.38Å; V234-V281 HydrophobicContact CG2-CG1 4.43Å; V234-V281 HydrophobicContact CG2-CG2 4.03Å
235	W	95.2	Very high	89.8	Confident	4 Å²	4	43 Å²	43	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.1	179	-43.8	79.5	0	0	0	108.7	L204 H206 M222 L223 T225 C233 M237 K240 V242	L204-W235 HydrophobicContact CB-CH2 3.95Å; L204-W235 HydrophobicContact CB-CZ2 4.31Å; L204-W235 HydrophobicContact CB-CZ3 4.38Å; L204-W235 HydrophobicContact CD1-CD2 3.95Å; L204-W235 HydrophobicContact CD1-CE3 4.08Å; L204-W235 HydrophobicContact CD1-CG 4.42Å; L204-W235 HydrophobicContact CD1-CH2 4.26Å; L204-W235 HydrophobicContact CD1-CZ2 4.22Å; L204-W235 HydrophobicContact CD1-CZ3 4.24Å; L204-W235 HydrophobicContact CD2-CE3 3.91Å; L204-W235 HydrophobicContact CD2-CH2 4.07Å; L204-W235 HydrophobicContact CD2-CZ3 3.62Å; L204-W235 HydrophobicContact CG-CH2 4.33Å; L204-W235 HydrophobicContact CG-CZ3 4.3Å; H206-W235 HydrophobicContact CB-CH2 3.49Å; H206-W235 VanDerWaalsContact CB-CH2 3.49Å; H206-W235 HydrophobicContact CB-CZ2 3.91Å; M222-W235 CarbonylContact C-O 3.53Å; M222-W235 VanDerWaalsContact CA-O 3.25Å; M222-W235 WeakPolarHBondContact CA-O 3.4Å; L223-W235 HydrophobicContact CB-CB 4.22Å; L223-W235 PolarHBondContact N-O 3.17Å; L223-W235 PolarHBondContact O-N 3.08Å; T225-W235 VanDerWaalsContact CG2-NE1 3.27Å; T225-W235 PolarHBondContact OG1-NE1 3.49Å; C233-W235 HydrophobicContact CB-CZ2 4.25Å; W235-M237 HydrophobicContact CB-CE 3.77Å; W235-K240 WeakPolarHBondContact CZ3-O 3.48Å; W235-V242 HydrophobicContact CD2-CG2 4.29Å; W235-V242 HydrophobicContact CE3-CB 4.37Å; W235-V242 HydrophobicContact CE3-CG2 3.82Å; W235-V242 HydrophobicContact CH2-CG2 3.27Å; W235-V242 HydrophobicContact CZ2-CG2 3.74Å; W235-V242 HydrophobicContact CZ3-CB 4.24Å; W235-V242 HydrophobicContact CZ3-CG2 3.27Å
236	N	93.6	Very high	89	Confident	58 Å²	58	44.2 Å²	44.2	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	111.9	171.1	-177	15.4	0	0	0	108.9	L239 L243	N236-L239 HydrophobicContact CB-CD1 4.38Å; N236-L239 WeakPolarHBondContact O-CA 3.36Å; N236-L239 WeakPolarHBondContact O-CB 3.37Å; N236-L239 WeakPolarHBondContact O-CG 3.2Å; N236-L239 PolarHBondContact O-N 2.9Å; N236-L243 HydrophobicContact CB-CD1 3.37Å; N236-L243 HydrophobicContact CB-CG 4.13Å
237	M	91.9	Very high	87.4	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.03	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	144.7	-178.1	-63.4	-62.9	124	0	0	110.5	Y180 I192 M202 L204 F216 H221 L223 W235	Y180-M237 HydrophobicContact CD1-CB 4.36Å; Y180-M237 HydrophobicContact CD1-CG 4.49Å; Y180-M237 HydrophobicContact CD2-CB 3.88Å; Y180-M237 HydrophobicContact CD2-CG 4.33Å; Y180-M237 HydrophobicContact CE1-CB 4.27Å; Y180-M237 HydrophobicContact CE2-CB 3.76Å; Y180-M237 HydrophobicContact CG-CB 4.18Å; Y180-M237 HydrophobicContact CG-CG 4.24Å; I192-M237 HydrophobicContact CD1-CE 4.24Å; I192-M237 HydrophobicContact CD1-SD 4.25Å; I192-M237 HydrophobicContact CG1-CE 4.25Å; I192-M237 HydrophobicContact CG1-SD 3.92Å; I192-M237 HydrophobicContact CG2-SD 4.13Å; M202-M237 HydrophobicContact SD-SD 4.5Å; L204-M237 HydrophobicContact CD1-CE 4.23Å; F216-M237 HydrophobicContact CE1-CG 4.12Å; F216-M237 HydrophobicContact CZ-CG 4.48Å; H221-M237 HydrophobicContact CB-CB 4.13Å; H221-M237 PolarHBondContact O-N 3.4Å; L223-M237 HydrophobicContact CB-CE 4.43Å; L223-M237 HydrophobicContact CD2-CE 4.07Å; W235-M237 HydrophobicContact CB-CE 3.77Å
238	P	89.6	Confident	85.5	Confident	70 Å²	70	47.5 Å²	47.5	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.5	15.2	3.9	36.2	-36.1	0	0	0	114.5	F201	F201-P238 HydrophobicContact CE1-CB 3.63Å; F201-P238 HydrophobicContact CZ-CB 3.65Å
239	L	83.6	Confident	83.7	Confident	90 Å²	90	56.9 Å²	56.9	47%	0.471	29%	0.288	S	S	.	.			trans	-63.9	138.3	-175.7	-54.8	171.7	0	0	0	111.1	N236 L243	N236-L239 HydrophobicContact CB-CD1 4.38Å; N236-L239 WeakPolarHBondContact O-CA 3.36Å; N236-L239 WeakPolarHBondContact O-CB 3.37Å; N236-L239 WeakPolarHBondContact O-CG 3.2Å; N236-L239 PolarHBondContact O-N 2.9Å; L239-L243 HydrophobicContact CD1-CD2 4.28Å
240	K	77.5	Confident	82.5	Confident	148 Å²	148	56 Å²	56	64%	0.643	28%	0.28	S	S	*	.			trans	-85.4	-17	177.3	-51.5	-160.2	168	174.7	0	114.1	M202 W235	M202-K240 HydrophobicContact CE-CB 3.51Å; M202-K240 HydrophobicContact CE-CD 3.62Å; M202-K240 HydrophobicContact CE-CG 3.27Å; M202-K240 HydrophobicContact SD-CB 4.49Å; M202-K240 HydrophobicContact SD-CG 3.93Å; W235-K240 WeakPolarHBondContact CZ3-O 3.48Å
241	Q	83	Confident	81.8	Confident	160 Å²	160	62.2 Å²	62.2	75%	0.748	31%	0.314	S	S	*	.	S	Bend	trans	-88.1	144.9	-176.4	-65.9	-179.5	5.2	0	0	110.1	L243	Q241-L243 PolarHBondContact O-N 2.81Å
242	V	83.2	Confident	81.5	Confident	39 Å²	39	60.1 Å²	60.1	24%	0.236	31%	0.307	C	S	.	.			trans	-69	124.3	172.6	-176.3	0	0	0	0	107.6	H206 C233 W235 Q244 D245	H206-V242 HydrophobicContact CB-CG2 4.3Å; C233-V242 HydrophobicContact CB-CG1 4.08Å; W235-V242 HydrophobicContact CD2-CG2 4.29Å; W235-V242 HydrophobicContact CE3-CB 4.37Å; W235-V242 HydrophobicContact CE3-CG2 3.82Å; W235-V242 HydrophobicContact CH2-CG2 3.27Å; W235-V242 HydrophobicContact CZ2-CG2 3.74Å; W235-V242 HydrophobicContact CZ3-CB 4.24Å; W235-V242 HydrophobicContact CZ3-CG2 3.27Å; V242-Q244 WeakPolarHBondContact CG1-O 3.32Å; V242-D245 HydrophobicContact CG1-CB 4.1Å
243	L	85.4	Confident	81.4	Confident	94 Å²	94	62.8 Å²	62.8	49%	0.492	32%	0.319	S	S	.	.	S	Bend	trans	-73.7	-42.7	174.1	-72.4	-174.5	0	0	0	111	V234 N236 L239 Q241	V234-L243 PolarHBondContact O-N 3Å; N236-L243 HydrophobicContact CB-CD1 3.37Å; N236-L243 HydrophobicContact CB-CG 4.13Å; L239-L243 HydrophobicContact CD1-CD2 4.28Å; Q241-L243 PolarHBondContact O-N 2.81Å
244	Q	85.8	Confident	81.3	Confident	17 Å²	17	63 Å²	63	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	139.8	-177.1	-165.9	-177.4	39.5	0	0	110.1	C233 V234 V242 Q246 V281 E284	C233-Q244 CarbonylContact C-O 3.43Å; C233-Q244 WeakPolarHBondContact CA-O 3.36Å; V234-Q244 HydrophobicContact CB-CB 3.94Å; V234-Q244 HydrophobicContact CG2-CB 3.95Å; V234-Q244 PolarHBondContact N-O 3.47Å; V234-Q244 PolarHBondContact O-N 3.32Å; V242-Q244 WeakPolarHBondContact CG1-O 3.32Å; Q244-Q246 HydrophobicContact CG-CG 3.96Å; Q244-V281 PolarHBondContact NE2-O 3.21Å; Q244-V281 PolarHBondContact OE1-O 3.28Å; Q244-E284 VanDerWaalsContact NE2-CD 3.26Å; Q244-E284 PolarHBondContact NE2-OE1 3.37Å
245	D	86.4	Confident	81.3	Confident	57 Å²	57	63 Å²	63	31%	0.305	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	89.1	-177.1	-166.7	-28.3	0	0	0	109.4	H206 R231 V242 G247	H206-D245 IonicContact CD2-OD2 3.24Å; H206-D245 IonicContact CE1-OD2 3.4Å; H206-D245 PolarHBondContact CE1-OD2 2.78Å; H206-D245 IonicContact NE2-OD2 2.68Å; H206-D245 PolarHBondContact NE2-OD2 2.92Å; R231-D245 IonicContact CZ-OD1 3.36Å; R231-D245 IonicContact CZ-OD2 3.03Å; R231-D245 IonicContact NE-OD1 2.7Å; R231-D245 PolarHBondContact NE-OD1 2.89Å; R231-D245 IonicContact NE-OD2 3.23Å; R231-D245 PolarHBondContact NE-OD2 3.42Å; R231-D245 IonicContact NH1-OD2 3.96Å; R231-D245 IonicContact NH2-OD1 3.31Å; R231-D245 PolarHBondContact NH2-OD1 2.82Å; R231-D245 IonicContact NH2-OD2 2.56Å; R231-D245 PolarHBondContact NH2-OD2 3.23Å; V242-D245 HydrophobicContact CG1-CB 4.1Å; D245-G247 PolarHBondContact O-N 3.11Å; D245-G247 PolarHBondContact OD1-N 3.3Å
246	Q	79.6	Confident	81.3	Confident	24 Å²	24	63.2 Å²	63.2	11%	0.112	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	72.6	176.9	-55	-163.8	18.5	0	0	107.7	V232 Q244 W279 K280	V232-Q246 PolarHBondContact N-O 2.93Å; V232-Q246 CarbonylContact O-C 3.47Å; V232-Q246 WeakPolarHBondContact O-CA 3.37Å; V232-Q246 PolarHBondContact O-N 2.89Å; Q244-Q246 HydrophobicContact CG-CG 3.96Å; Q246-W279 HydrophobicContact CB-CE3 4.04Å; Q246-W279 HydrophobicContact CB-CZ3 3.92Å; Q246-W279 VanDerWaalsContact OE1-CE3 3.29Å; Q246-K280 PolarHBondContact NE2-O 2.77Å
247	G	60.4	Low	81.4	Confident	23 Å²	23	61.5 Å²	61.5	24%	0.237	31%	0.314	C	S	.	.			trans	-79.3	145.6	-174.8	0	0	0	0	0	114.1	D245 R249	D245-G247 PolarHBondContact O-N 3.11Å; D245-G247 PolarHBondContact OD1-N 3.3Å; G247-R249 WeakPolarHBondContact O-CG 3.29Å; G247-R249 PolarHBondContact O-N 3.21Å
248	A	53.4	Low	81.7	Confident	48 Å²	48	62.2 Å²	62.2	40%	0.397	32%	0.32	S	S	.	.	S	Bend	trans	41.6	-1.9	152.5	0	0	0	0	0	120.9	T250 N251	A248-T250 PolarHBondContact O-N 2.9Å; A248-N251 PolarHBondContact O-N 2.81Å; A248-N251 VanDerWaalsContact O-N 3.11Å; A248-N251 PolarHBondContact O-OD1 2.83Å
249	R	53.8	Low	82	Confident	240 Å²	240	59.2 Å²	59.2	91%	0.906	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22	-175.1	-76.1	-174.3	-179.5	-174.6	3.6	112.5	G247	G247-R249 WeakPolarHBondContact O-CG 3.29Å; G247-R249 PolarHBondContact O-N 3.21Å
250	T	65.8	Low	82.6	Confident	30 Å²	30	55.1 Å²	55.1	18%	0.184	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.8	-179.3	63.1	0	0	0	0	112	A248 I252 W279	A248-T250 PolarHBondContact O-N 2.9Å; T250-I252 WeakPolarHBondContact O-CG1 3.45Å; T250-I252 PolarHBondContact O-N 2.79Å; T250-I252 VanDerWaalsContact O-N 3.15Å; T250-I252 PolarHBondContact OG1-N 3Å; T250-W279 HydrophobicContact CG2-CH2 4.33Å
251	N	75.9	Confident	83.4	Confident	132 Å²	132	49 Å²	49	71%	0.706	26%	0.255	S	S	*	.			trans	48.9	25.4	-160.6	-70.1	-24.2	0	0	0	112.8	A248	A248-N251 PolarHBondContact O-N 2.81Å; A248-N251 VanDerWaalsContact O-N 3.11Å; A248-N251 PolarHBondContact O-OD1 2.83Å
252	I	85.3	Confident	83.9	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.087	23%	0.234	C	C	.	.			trans	-107.2	122.2	179.8	-62.7	172.8	0	0	0	107.2	G230 T250 V254	G230-I252 WeakPolarHBondContact CA-O 3.12Å; T250-I252 WeakPolarHBondContact O-CG1 3.45Å; T250-I252 PolarHBondContact O-N 2.79Å; T250-I252 VanDerWaalsContact O-N 3.15Å; T250-I252 PolarHBondContact OG1-N 3Å; I252-V254 PolarHBondContact O-N 3.27Å
253	E	89.9	Confident	84.4	Confident	59 Å²	59	45.4 Å²	45.4	28%	0.276	24%	0.24	S	C	.	.			trans	-58.3	134.2	176.3	177.3	177.6	-157.8	0	0	110.8	C228 L255 S269 G270 F271	C228-E253 HydrophobicContact CB-CG 4.43Å; E253-L255 VanDerWaalsContact CD-CD2 3.5Å; E253-L255 HydrophobicContact CG-CD2 3.79Å; E253-L255 HydrophobicContact CG-CG 4.35Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.15Å; E253-S269 CarbonylContact O-C 3.55Å; E253-S269 VanDerWaalsContact O-CA 3.25Å; E253-S269 WeakPolarHBondContact O-CA 3.29Å; E253-G270 PolarHBondContact O-N 3.42Å; E253-F271 PolarHBondContact N-O 2.86Å
254	V	93.4	Very high	84.9	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.4	171.9	172.4	0	0	0	0	109.3	T212 A226 V232 I252 L257 W279	T212-V254 VanDerWaalsContact CB-O 3.3Å; T212-V254 WeakPolarHBondContact CB-O 3.33Å; T212-V254 PolarHBondContact OG1-O 3.32Å; A226-V254 HydrophobicContact CB-CB 3.92Å; A226-V254 HydrophobicContact CB-CG1 3.43Å; A226-V254 VanDerWaalsContact CB-CG1 3.43Å; V232-V254 HydrophobicContact CG2-CG2 4.43Å; I252-V254 PolarHBondContact O-N 3.27Å; V254-L257 HydrophobicContact CG1-CG 4.44Å; V254-W279 HydrophobicContact CG2-CZ2 4.49Å
255	L	94.6	Very high	85.3	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-19.3	-178.1	-62.4	178.9	0	0	0	113.4	E253 C268 R442 F443	E253-L255 VanDerWaalsContact CD-CD2 3.5Å; E253-L255 HydrophobicContact CG-CD2 3.79Å; E253-L255 HydrophobicContact CG-CG 4.35Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.15Å; L255-C268 PolarHBondContact N-O 3.4Å; L255-C268 VanDerWaalsContact N-O 3.07Å; L255-R442 PolarHBondContact O-NH2 3.24Å; L255-F443 HydrophobicContact CB-CE2 4.24Å; L255-F443 HydrophobicContact CB-CZ 4.39Å; L255-F443 HydrophobicContact CD2-CD2 4.4Å; L255-F443 HydrophobicContact CD2-CE2 3.93Å; L255-F443 HydrophobicContact CD2-CZ 4.17Å; L255-F443 WeakPolarHBondContact O-CZ 3.42Å
256	G	95.4	Very high	85.8	Confident	8 Å²	8	40.9 Å²	40.9	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	155.5	-175.3	0	0	0	0	0	111.6	S267 C268	G256-S267 WeakPolarHBondContact O-CA 3.45Å; G256-S267 WeakPolarHBondContact O-CB 3.37Å; G256-C268 VanDerWaalsContact CA-SG 3.58Å; G256-C268 PolarHBondContact N-SG 2.89Å; G256-C268 VanDerWaalsContact N-SG 3.35Å; G256-C268 PolarHBondContact O-N 2.99Å; G256-C268 VanDerWaalsContact O-N 3.13Å
257	L	96.6	Very high	86.5	Confident	21 Å²	21	39.7 Å²	39.7	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.7	177.1	-81.8	172.9	0	0	0	109.8	A213 F224 A226 V254 C265 V266	A213-L257 HydrophobicContact CB-CB 3.85Å; A213-L257 HydrophobicContact CB-CD1 4.01Å; A213-L257 HydrophobicContact CB-CG 3.84Å; F224-L257 HydrophobicContact CB-CD1 4.02Å; A226-L257 HydrophobicContact CB-CD1 3.48Å; A226-L257 VanDerWaalsContact CB-CD1 3.48Å; A226-L257 HydrophobicContact CB-CD2 4.43Å; A226-L257 HydrophobicContact CB-CG 3.9Å; V254-L257 HydrophobicContact CG1-CG 4.44Å; L257-C265 HydrophobicContact CD2-CB 4.47Å; L257-V266 CarbonylContact C-O 3.47Å; L257-V266 WeakPolarHBondContact CA-O 3.47Å
258	C	97.2	Very high	88.2	Confident	22 Å²	22	38.6 Å²	38.6	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.9	167.2	-170	0	0	0	0	109	C265 V266 I302 A304	C258-C265 CarbonylContact O-C 3.53Å; C258-C265 WeakPolarHBondContact O-CA 3.35Å; C258-C265 WeakPolarHBondContact O-CB 3.5Å; C258-V266 HydrophobicContact CB-CG1 3.79Å; C258-V266 PolarHBondContact N-O 2.95Å; C258-V266 PolarHBondContact O-N 2.94Å; C258-I302 HydrophobicContact CB-CG2 4.48Å; C258-A304 HydrophobicContact CB-CB 4.27Å; C258-A304 PolarHBondContact SG-N 3.27Å; C258-A304 VanDerWaalsContact SG-N 3.42Å
259	G	96.5	Very high	89.9	Confident	6 Å²	6	36.5 Å²	36.5	6%	0.062	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	149.4	173.9	0	0	0	0	0	111.5	S215 F216	S215-G259 PolarHBondContact OG-N 2.86Å; F216-G259 WeakPolarHBondContact O-CA 3.27Å
260	L	96.3	Very high	91.3	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.135	C	C	.	.			trans	-109	179.1	-178	-62	167.9	0	0	0	110.5	R217 C218 R264 A304 D307 F310	R217-L260 WeakPolarHBondContact CG-O 3.47Å; C218-L260 PolarHBondContact N-O 2.98Å; L260-R264 HydrophobicContact CB-CB 4.32Å; L260-R264 WeakPolarHBondContact CB-O 3.47Å; L260-R264 HydrophobicContact CD1-CB 3.59Å; L260-R264 HydrophobicContact CG-CB 4.48Å; L260-R264 PolarHBondContact N-O 3.06Å; L260-R264 VanDerWaalsContact N-O 3.09Å; L260-A304 HydrophobicContact CD2-CB 3.33Å; L260-D307 WeakPolarHBondContact CB-OD1 3.41Å; L260-F310 HydrophobicContact CD1-CE1 4.3Å; L260-F310 HydrophobicContact CD2-CE1 3.91Å
261	V	93.9	Very high	91.9	Very high	21 Å²	21	32 Å²	32	13%	0.127	16%	0.163	C	C	.	.	S	Bend	trans	-77.4	-43.3	172.9	177.6	0	0	0	0	110.3	R217 C218 D307 Y366	R217-V261 VanDerWaalsContact CZ-O 3.3Å; R217-V261 PolarHBondContact NE-O 3.44Å; R217-V261 PolarHBondContact NH2-O 2.87Å; C218-V261 HydrophobicContact CB-CG2 3.97Å; V261-D307 PolarHBondContact N-OD1 3.22Å; V261-Y366 WeakPolarHBondContact CG2-OH 3.35Å
262	S	93.6	Very high	91.9	Very high	43 Å²	43	28.5 Å²	28.5	30%	0.301	16%	0.157	S	C	.	.	S	Bend	trans	-64.9	169.7	168.5	-61.5	0	0	0	0	111.8	R217 R264 D307	R217-S262 PolarHBondContact NE-O 2.88Å; R217-S262 VanDerWaalsContact NE-O 3.09Å; S262-R264 PolarHBondContact O-N 2.83Å; S262-D307 WeakPolarHBondContact CB-OD2 3.1Å; S262-D307 PolarHBondContact N-OD2 2.71Å; S262-D307 PolarHBondContact OG-OD2 3.23Å
263	E	94.2	Very high	91.7	Very high	79 Å²	79	28.8 Å²	28.8	37%	0.369	17%	0.165	S	C	.	.	S	Bend	trans	-72.2	61.5	175	-73.3	-175.1	-173.7	0	0	112.2	R217 M222 V281 P282	R217-E263 IonicContact CZ-OE1 3.42Å; R217-E263 IonicContact NH1-OE1 3.98Å; R217-E263 PolarHBondContact NH1-OE1 3.18Å; M222-E263 HydrophobicContact CE-CG 4.25Å; E263-V281 HydrophobicContact CB-CB 4.32Å; E263-V281 WeakPolarHBondContact O-CB 3.48Å; E263-V281 WeakPolarHBondContact O-CG2 3.44Å; E263-V281 PolarHBondContact O-N 2.84Å; E263-P282 HydrophobicContact CB-CG 3.87Å; E263-P282 WeakPolarHBondContact O-CD 3.4Å
264	R	94.6	Very high	91.4	Very high	73 Å²	73	27.3 Å²	27.3	28%	0.275	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.1	-170.8	-56.2	-173.4	175.7	154.2	2	110.4	L260 S262 W279 K280 E283	L260-R264 HydrophobicContact CB-CB 4.32Å; L260-R264 WeakPolarHBondContact CB-O 3.47Å; L260-R264 HydrophobicContact CD1-CB 3.59Å; L260-R264 HydrophobicContact CG-CB 4.48Å; L260-R264 PolarHBondContact N-O 3.06Å; L260-R264 VanDerWaalsContact N-O 3.09Å; S262-R264 PolarHBondContact O-N 2.83Å; R264-W279 WeakPolarHBondContact CA-O 3.47Å; R264-W279 VanDerWaalsContact CB-O 3.29Å; R264-W279 WeakPolarHBondContact CB-O 3.46Å; R264-K280 HydrophobicContact CG-CB 4.46Å; R264-K280 HydrophobicContact CG-CG 4.31Å; R264-E283 IonicContact NH2-OE1 2.69Å; R264-E283 PolarHBondContact NH2-OE1 2.84Å; R264-E283 VanDerWaalsContact NH2-OE1 3.14Å
265	C	95.6	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.1	162.5	60.2	0	0	0	0	110.2	F224 L257 C258 W279	F224-C265 HydrophobicContact CB-CB 4.45Å; F224-C265 HydrophobicContact CD1-CB 4.27Å; F224-C265 HydrophobicContact CD2-CB 3.53Å; F224-C265 HydrophobicContact CE1-CB 4.45Å; F224-C265 HydrophobicContact CE2-CB 3.71Å; F224-C265 HydrophobicContact CG-CB 3.82Å; F224-C265 HydrophobicContact CZ-CB 4.18Å; L257-C265 HydrophobicContact CD2-CB 4.47Å; C258-C265 CarbonylContact O-C 3.53Å; C258-C265 WeakPolarHBondContact O-CA 3.35Å; C258-C265 WeakPolarHBondContact O-CB 3.5Å; C265-W279 PolarHBondContact N-O 3.15Å; C265-W279 VanDerWaalsContact N-O 3.15Å; C265-W279 PolarHBondContact O-N 2.86Å
266	V	95.7	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137	168.8	64.1	0	0	0	0	109	L257 C258 V276 C277 V278 I302 A304 F310	L257-V266 CarbonylContact C-O 3.47Å; L257-V266 WeakPolarHBondContact CA-O 3.47Å; C258-V266 HydrophobicContact CB-CG1 3.79Å; C258-V266 PolarHBondContact N-O 2.95Å; C258-V266 PolarHBondContact O-N 2.94Å; V266-V276 HydrophobicContact CG2-CB 4.04Å; V266-V276 HydrophobicContact CG2-CG2 4.43Å; V266-C277 CarbonylContact C-O 3.55Å; V266-C277 VanDerWaalsContact CA-O 3.27Å; V266-C277 WeakPolarHBondContact CA-O 3.42Å; V266-V278 HydrophobicContact CB-CG2 4.5Å; V266-V278 HydrophobicContact CG2-CG2 4.21Å; V266-I302 HydrophobicContact CG1-CG1 3.83Å; V266-I302 HydrophobicContact CG2-CD1 4.32Å; V266-I302 HydrophobicContact CG2-CG1 4.08Å; V266-A304 HydrophobicContact CG1-CB 3.95Å; V266-F310 HydrophobicContact CB-CD1 4.27Å; V266-F310 HydrophobicContact CB-CG 4.45Å; V266-F310 HydrophobicContact CG1-CD1 4.08Å; V266-F310 HydrophobicContact CG1-CG 4.47Å; V266-F310 HydrophobicContact CG2-CB 4.32Å; V266-F310 HydrophobicContact CG2-CD1 4.37Å; V266-F310 HydrophobicContact CG2-CD2 4.26Å; V266-F310 HydrophobicContact CG2-CG 4.04Å
267	S	95.5	Very high	91.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.3	171.8	72.9	0	0	0	0	110.5	G256 V276 C277 W279	G256-S267 WeakPolarHBondContact O-CA 3.45Å; G256-S267 WeakPolarHBondContact O-CB 3.37Å; S267-V276 CarbonylContact O-C 3.58Å; S267-V276 WeakPolarHBondContact O-CA 3.43Å; S267-V276 WeakPolarHBondContact O-CB 3.37Å; S267-C277 PolarHBondContact N-O 2.75Å; S267-C277 PolarHBondContact O-N 2.93Å; S267-C277 WeakPolarHBondContact OG-CB 3.33Å; S267-W279 PolarHBondContact OG-NE1 2.98Å
268	C	94.8	Very high	91.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	151.2	164	56.3	0	0	0	0	111.2	L255 G256 V276 V299 I302	L255-C268 PolarHBondContact N-O 3.4Å; L255-C268 VanDerWaalsContact N-O 3.07Å; G256-C268 VanDerWaalsContact CA-SG 3.58Å; G256-C268 PolarHBondContact N-SG 2.89Å; G256-C268 VanDerWaalsContact N-SG 3.35Å; G256-C268 PolarHBondContact O-N 2.99Å; G256-C268 VanDerWaalsContact O-N 3.13Å; C268-V276 HydrophobicContact CB-CG1 4.45Å; C268-V299 HydrophobicContact CB-CB 3.93Å; C268-V299 HydrophobicContact CB-CG1 3.63Å; C268-V299 VanDerWaalsContact CB-O 3.22Å; C268-V299 WeakPolarHBondContact CB-O 3.25Å; C268-V299 PolarHBondContact SG-O 2.86Å; C268-I302 HydrophobicContact CB-CB 3.85Å; C268-I302 HydrophobicContact CB-CG2 4.2Å
269	S	89.6	Confident	90.9	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.4	-175.7	48.2	0	0	0	0	113.8	E253 G273 G275 V299	E253-S269 CarbonylContact O-C 3.55Å; E253-S269 VanDerWaalsContact O-CA 3.25Å; E253-S269 WeakPolarHBondContact O-CA 3.29Å; S269-G273 VanDerWaalsContact CB-O 3.23Å; S269-G273 WeakPolarHBondContact CB-O 3.12Å; S269-G273 PolarHBondContact OG-O 2.83Å; S269-G275 PolarHBondContact N-O 2.79Å; S269-G275 VanDerWaalsContact N-O 3.09Å; S269-G275 WeakPolarHBondContact OG-CA 3.45Å; S269-G275 PolarHBondContact OG-N 3.32Å; S269-G275 PolarHBondContact OG-O 3.4Å; S269-V299 PolarHBondContact O-N 2.62Å
270	G	83.7	Confident	90.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	16%	0.155	C	C	.	.			trans	-99.9	-125.2	171.5	0	0	0	0	0	112	E253	E253-G270 PolarHBondContact O-N 3.42Å
271	F	77.5	Confident	90.5	Very high	175 Å²	175	28.4 Å²	28.4	77%	0.768	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	137.3	179.1	-169.2	-97.4	0	0	0	111.7	E253	E253-F271 PolarHBondContact N-O 2.86Å
272	G	75.4	Confident	90.4	Very high	57 Å²	57	31.3 Å²	31.3	59%	0.588	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.8	-18.9	-178.3	0	0	0	0	0	114.7
273	G	81.3	Confident	90.2	Very high	24 Å²	24	33.2 Å²	33.2	25%	0.247	18%	0.183	C	C	.	.			trans	166.3	109.9	171.6	0	0	0	0	0	113.2	S269 G275	S269-G273 VanDerWaalsContact CB-O 3.23Å; S269-G273 WeakPolarHBondContact CB-O 3.12Å; S269-G273 PolarHBondContact OG-O 2.83Å; G273-G275 PolarHBondContact O-N 2.88Å
274	P	83.7	Confident	89.9	Confident	28 Å²	28	35.7 Å²	35.7	18%	0.182	19%	0.194	C	C	.	.	S	Bend	trans	-67.9	127.1	-177.8	30.8	-39	0	0	0	111.3	T291 E296	P274-T291 HydrophobicContact CB-CG2 4.43Å; P274-T291 PolarHBondContact O-N 3.02Å; P274-E296 HydrophobicContact CB-CB 3.92Å; P274-E296 HydrophobicContact CB-CG 3.64Å; P274-E296 HydrophobicContact CG-CB 4.03Å; P274-E296 HydrophobicContact CG-CG 4.32Å; P274-E296 WeakPolarHBondContact CG-O 3.31Å
275	G	92	Very high	89.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-156.5	-175.7	0	0	0	0	0	114.6	S269 G273 Y289	S269-G275 PolarHBondContact N-O 2.79Å; S269-G275 VanDerWaalsContact N-O 3.09Å; S269-G275 WeakPolarHBondContact OG-CA 3.45Å; S269-G275 PolarHBondContact OG-N 3.32Å; S269-G275 PolarHBondContact OG-O 3.4Å; G273-G275 PolarHBondContact O-N 2.88Å; G275-Y289 CarbonylContact C-O 3.52Å; G275-Y289 WeakPolarHBondContact CA-O 3.36Å
276	V	93.8	Very high	89.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.9	175.2	-59.8	0	0	0	0	110.3	V266 S267 C268 Y289 I302 W322	V266-V276 HydrophobicContact CG2-CB 4.04Å; V266-V276 HydrophobicContact CG2-CG2 4.43Å; S267-V276 CarbonylContact O-C 3.58Å; S267-V276 WeakPolarHBondContact O-CA 3.43Å; S267-V276 WeakPolarHBondContact O-CB 3.37Å; C268-V276 HydrophobicContact CB-CG1 4.45Å; V276-Y289 HydrophobicContact CG2-CD2 4.06Å; V276-Y289 HydrophobicContact CG2-CG 4.07Å; V276-Y289 PolarHBondContact N-O 2.87Å; V276-Y289 PolarHBondContact O-N 3.17Å; V276-I302 HydrophobicContact CG1-CD1 3.64Å; V276-I302 HydrophobicContact CG1-CG1 4.45Å; V276-W322 HydrophobicContact CG1-CD2 4.29Å; V276-W322 HydrophobicContact CG1-CE3 3.87Å; V276-W322 HydrophobicContact CG1-CH2 3.74Å; V276-W322 HydrophobicContact CG1-CZ2 4.2Å; V276-W322 HydrophobicContact CG1-CZ3 3.57Å; V276-W322 HydrophobicContact CG2-CB 4.43Å; V276-W322 HydrophobicContact CG2-CD2 3.73Å; V276-W322 HydrophobicContact CG2-CE3 4.02Å; V276-W322 HydrophobicContact CG2-CG 3.92Å; V276-W322 HydrophobicContact CG2-CZ2 4.49Å; V276-W322 HydrophobicContact CG2-CZ3 4.49Å
277	C	93.5	Very high	89.3	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132	175	-62	0	0	0	0	109.3	V266 S267 W279 V287	V266-C277 CarbonylContact C-O 3.55Å; V266-C277 VanDerWaalsContact CA-O 3.27Å; V266-C277 WeakPolarHBondContact CA-O 3.42Å; S267-C277 PolarHBondContact N-O 2.75Å; S267-C277 PolarHBondContact O-N 2.93Å; S267-C277 WeakPolarHBondContact OG-CB 3.33Å; C277-W279 HydrophobicContact CB-CZ2 4.02Å; C277-W279 PolarHBondContact O-NE1 2.83Å; C277-V287 CarbonylContact C-O 3.51Å; C277-V287 WeakPolarHBondContact CA-O 3.27Å
278	V	94.3	Very high	89	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.7	170.5	177.4	0	0	0	0	108.4	V266 V287 Y289 F310	V266-V278 HydrophobicContact CB-CG2 4.5Å; V266-V278 HydrophobicContact CG2-CG2 4.21Å; V278-V287 PolarHBondContact N-O 2.99Å; V278-V287 PolarHBondContact O-N 3.36Å; V278-Y289 HydrophobicContact CB-CE2 3.91Å; V278-Y289 HydrophobicContact CG2-CD2 4.17Å; V278-Y289 HydrophobicContact CG2-CE2 3.43Å; V278-Y289 VanDerWaalsContact CG2-CE2 3.43Å; V278-F310 HydrophobicContact CG2-CD2 4.14Å; V278-F310 HydrophobicContact CG2-CE2 3.46Å; V278-F310 VanDerWaalsContact CG2-CE2 3.46Å; V278-F310 HydrophobicContact CG2-CZ 3.88Å
279	W	93.8	Very high	88.9	Confident	9 Å²	9	46.1 Å²	46.1	3%	0.034	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	-178.5	-52.7	83.5	0	0	0	108.6	V232 Q246 T250 V254 R264 C265 S267 C277 C286	V232-W279 HydrophobicContact CB-CD2 4.21Å; V232-W279 HydrophobicContact CB-CE3 4.12Å; V232-W279 HydrophobicContact CB-CH2 4.31Å; V232-W279 HydrophobicContact CB-CZ2 4.41Å; V232-W279 HydrophobicContact CB-CZ3 4.17Å; V232-W279 HydrophobicContact CG1-CD2 4.48Å; V232-W279 HydrophobicContact CG2-CD2 3.93Å; V232-W279 HydrophobicContact CG2-CE3 4.15Å; V232-W279 HydrophobicContact CG2-CH2 3.69Å; V232-W279 HydrophobicContact CG2-CZ2 3.44Å; V232-W279 VanDerWaalsContact CG2-CZ2 3.44Å; V232-W279 HydrophobicContact CG2-CZ3 4.04Å; Q246-W279 HydrophobicContact CB-CE3 4.04Å; Q246-W279 HydrophobicContact CB-CZ3 3.92Å; Q246-W279 VanDerWaalsContact OE1-CE3 3.29Å; T250-W279 HydrophobicContact CG2-CH2 4.33Å; V254-W279 HydrophobicContact CG2-CZ2 4.49Å; R264-W279 WeakPolarHBondContact CA-O 3.47Å; R264-W279 VanDerWaalsContact CB-O 3.29Å; R264-W279 WeakPolarHBondContact CB-O 3.46Å; C265-W279 PolarHBondContact N-O 3.15Å; C265-W279 VanDerWaalsContact N-O 3.15Å; C265-W279 PolarHBondContact O-N 2.86Å; S267-W279 PolarHBondContact OG-NE1 2.98Å; C277-W279 HydrophobicContact CB-CZ2 4.02Å; C277-W279 PolarHBondContact O-NE1 2.83Å; W279-C286 HydrophobicContact CD2-CB 4.27Å; W279-C286 HydrophobicContact CE3-CB 3.71Å; W279-C286 HydrophobicContact CH2-CB 4.32Å; W279-C286 HydrophobicContact CZ3-CB 3.74Å
280	K	93.3	Very high	89	Confident	53 Å²	53	48.9 Å²	48.9	23%	0.23	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.9	178.5	-54.3	-174	178.6	177.2	0	108.9	Q246 R264 E283 E284 I285	Q246-K280 PolarHBondContact NE2-O 2.77Å; R264-K280 HydrophobicContact CG-CB 4.46Å; R264-K280 HydrophobicContact CG-CG 4.31Å; K280-E283 HydrophobicContact CB-CB 4.25Å; K280-E283 VanDerWaalsContact CB-OE2 3.31Å; K280-E283 WeakPolarHBondContact CB-OE2 3.45Å; K280-E284 WeakPolarHBondContact O-CA 3.43Å; K280-E284 PolarHBondContact O-N 2.96Å; K280-I285 PolarHBondContact N-O 3.4Å; K280-I285 PolarHBondContact O-N 3.34Å
281	V	91.9	Very high	89.2	Confident	18 Å²	18	49.3 Å²	49.3	11%	0.109	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-53.4	-172.6	178.8	0	0	0	0	111.2	M222 F224 V234 Q244 E263 E283 E284	M222-V281 HydrophobicContact CE-CG1 4.46Å; M222-V281 HydrophobicContact SD-CG2 4.23Å; F224-V281 HydrophobicContact CE1-CG2 3.55Å; F224-V281 HydrophobicContact CZ-CG2 4Å; V234-V281 HydrophobicContact CG1-CG1 4.22Å; V234-V281 HydrophobicContact CG1-CG2 4.38Å; V234-V281 HydrophobicContact CG2-CG1 4.43Å; V234-V281 HydrophobicContact CG2-CG2 4.03Å; Q244-V281 PolarHBondContact NE2-O 3.21Å; Q244-V281 PolarHBondContact OE1-O 3.28Å; E263-V281 HydrophobicContact CB-CB 4.32Å; E263-V281 WeakPolarHBondContact O-CB 3.48Å; E263-V281 WeakPolarHBondContact O-CG2 3.44Å; E263-V281 PolarHBondContact O-N 2.84Å; V281-E283 VanDerWaalsContact C-N 3.29Å; V281-E283 PolarHBondContact O-N 3.04Å; V281-E284 PolarHBondContact O-N 2.84Å
282	P	90.1	Very high	89.6	Confident	82 Å²	82	48.6 Å²	48.6	53%	0.532	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-37	-177.1	-21	32.6	0	0	0	113	E263	E263-P282 HydrophobicContact CB-CG 3.87Å; E263-P282 WeakPolarHBondContact O-CD 3.4Å
283	E	89.7	Confident	90.1	Very high	82 Å²	82	48.7 Å²	48.7	38%	0.383	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.2	-177.9	-56.1	94.8	137.4	0	0	113.2	R264 K280 V281 I285	R264-E283 IonicContact NH2-OE1 2.69Å; R264-E283 PolarHBondContact NH2-OE1 2.84Å; R264-E283 VanDerWaalsContact NH2-OE1 3.14Å; K280-E283 HydrophobicContact CB-CB 4.25Å; K280-E283 VanDerWaalsContact CB-OE2 3.31Å; K280-E283 WeakPolarHBondContact CB-OE2 3.45Å; V281-E283 VanDerWaalsContact C-N 3.29Å; V281-E283 PolarHBondContact O-N 3.04Å; E283-I285 HydrophobicContact CB-CB 4.4Å; E283-I285 HydrophobicContact CB-CD1 3.86Å; E283-I285 HydrophobicContact CB-CG1 4.15Å; E283-I285 WeakPolarHBondContact O-CG1 3.4Å; E283-I285 PolarHBondContact O-N 3.18Å
284	E	89.1	Confident	90.2	Very high	132 Å²	132	54.2 Å²	54.2	62%	0.617	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	33.4	-173.7	-36.7	-147.8	121.1	0	0	114	Q244 K280 V281	Q244-E284 VanDerWaalsContact NE2-CD 3.26Å; Q244-E284 PolarHBondContact NE2-OE1 3.37Å; K280-E284 WeakPolarHBondContact O-CA 3.43Å; K280-E284 PolarHBondContact O-N 2.96Å; V281-E284 PolarHBondContact O-N 2.84Å
285	I	89.6	Confident	90.2	Very high	84 Å²	84	59.6 Å²	59.6	43%	0.431	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.6	-174.7	-67.8	166	0	0	0	110.5	K280 E283 V287	K280-I285 PolarHBondContact N-O 3.4Å; K280-I285 PolarHBondContact O-N 3.34Å; E283-I285 HydrophobicContact CB-CB 4.4Å; E283-I285 HydrophobicContact CB-CD1 3.86Å; E283-I285 HydrophobicContact CB-CG1 4.15Å; E283-I285 WeakPolarHBondContact O-CG1 3.4Å; E283-I285 PolarHBondContact O-N 3.18Å; I285-V287 HydrophobicContact CG2-CG2 3.78Å
286	C	90.5	Very high	90.1	Very high	40 Å²	40	60 Å²	60	27%	0.27	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.5	164.8	-178.6	0	0	0	0	109.4	W279	W279-C286 HydrophobicContact CD2-CB 4.27Å; W279-C286 HydrophobicContact CE3-CB 3.71Å; W279-C286 HydrophobicContact CH2-CB 4.32Å; W279-C286 HydrophobicContact CZ3-CB 3.74Å
287	V	91.7	Very high	89.8	Confident	45 Å²	45	63.2 Å²	63.2	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119	175.8	-175.4	0	0	0	0	108.8	C277 V278 I285 Y289	C277-V287 CarbonylContact C-O 3.51Å; C277-V287 WeakPolarHBondContact CA-O 3.27Å; V278-V287 PolarHBondContact N-O 2.99Å; V278-V287 PolarHBondContact O-N 3.36Å; I285-V287 HydrophobicContact CG2-CG2 3.78Å; V287-Y289 HydrophobicContact CB-CE2 4.09Å; V287-Y289 HydrophobicContact CG1-CE2 3.74Å; V287-Y289 WeakPolarHBondContact O-CD2 3.39Å; V287-Y289 WeakPolarHBondContact O-CE2 3.34Å
288	Q	90.9	Very high	89.8	Confident	105 Å²	105	63.5 Å²	63.5	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.3	-178.3	-59.6	-175.8	-25.1	0	0	111.7
289	Y	92.2	Very high	89.9	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.071	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.6	176.3	-58.4	-103.6	0	0	0	108.3	G275 V276 V278 V287 S324 R326 G327	G275-Y289 CarbonylContact C-O 3.52Å; G275-Y289 WeakPolarHBondContact CA-O 3.36Å; V276-Y289 HydrophobicContact CG2-CD2 4.06Å; V276-Y289 HydrophobicContact CG2-CG 4.07Å; V276-Y289 PolarHBondContact N-O 2.87Å; V276-Y289 PolarHBondContact O-N 3.17Å; V278-Y289 HydrophobicContact CB-CE2 3.91Å; V278-Y289 HydrophobicContact CG2-CD2 4.17Å; V278-Y289 HydrophobicContact CG2-CE2 3.43Å; V278-Y289 VanDerWaalsContact CG2-CE2 3.43Å; V287-Y289 HydrophobicContact CB-CE2 4.09Å; V287-Y289 HydrophobicContact CG1-CE2 3.74Å; V287-Y289 WeakPolarHBondContact O-CD2 3.39Å; V287-Y289 WeakPolarHBondContact O-CE2 3.34Å; Y289-S324 PolarHBondContact OH-O 2.82Å; Y289-R326 WeakPolarHBondContact CD1-O 3.28Å; Y289-R326 VanDerWaalsContact CE1-O 3.29Å; Y289-R326 WeakPolarHBondContact CE1-O 3.35Å; Y289-G327 WeakPolarHBondContact CA-O 3.15Å
290	S	90.1	Very high	89.9	Confident	62 Å²	62	63.8 Å²	63.8	43%	0.434	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.2	-174.2	175.1	0	0	0	0	111.8	K292 G327 P329	S290-K292 PolarHBondContact O-N 3.45Å; S290-K292 PolarHBondContact OG-N 3.15Å; S290-G327 PolarHBondContact N-O 2.93Å; S290-P329 WeakPolarHBondContact O-CD 3.43Å
291	T	88.7	Confident	90	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	33%	0.334	C	S	.	.			trans	-67.6	-14.2	179.7	57.7	0	0	0	0	114.2	P274 N293 E296 V299 Y320 W322	P274-T291 HydrophobicContact CB-CG2 4.43Å; P274-T291 PolarHBondContact O-N 3.02Å; T291-N293 PolarHBondContact O-N 3.08Å; T291-E296 HydrophobicContact CG2-CG 4.3Å; T291-V299 HydrophobicContact CG2-CG2 4.16Å; T291-Y320 HydrophobicContact CG2-CD1 4.34Å; T291-Y320 HydrophobicContact CG2-CD2 3.9Å; T291-Y320 HydrophobicContact CG2-CE1 4.13Å; T291-Y320 HydrophobicContact CG2-CE2 3.68Å; T291-Y320 HydrophobicContact CG2-CG 4.23Å; T291-W322 HydrophobicContact CG2-CH2 4.43Å; T291-W322 HydrophobicContact CG2-CZ2 3.83Å
292	K	85.4	Confident	90.3	Very high	161 Å²	161	61.5 Å²	61.5	70%	0.7	33%	0.333	S	S	*	.			trans	59.3	-18.5	-169.5	-65.4	179.3	167.5	164.5	0	115.6	S290 T294 S328	S290-K292 PolarHBondContact O-N 3.45Å; S290-K292 PolarHBondContact OG-N 3.15Å; K292-T294 PolarHBondContact O-N 2.98Å; K292-S328 VanDerWaalsContact CE-CB 3.45Å; K292-S328 PolarHBondContact NZ-OG 2.82Å
293	N	85.7	Confident	90.6	Very high	59 Å²	59	58.8 Å²	58.8	32%	0.316	31%	0.312	S	S	.	.			trans	-75.7	115.1	178	-175.6	0.7	0	0	0	110.2	T291 L295 E296	T291-N293 PolarHBondContact O-N 3.08Å; N293-L295 PolarHBondContact O-N 3.33Å; N293-L295 WeakPolarHBondContact OD1-CB 3.5Å; N293-L295 PolarHBondContact OD1-N 3.49Å; N293-E296 HydrophobicContact CB-CB 4.28Å; N293-E296 WeakPolarHBondContact O-CB 3.44Å; N293-E296 PolarHBondContact O-N 3.31Å
294	T	83.6	Confident	91	Very high	139 Å²	139	55.2 Å²	55.2	85%	0.853	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.1	-179.1	54.3	0	0	0	0	113.7	K292 E296	K292-T294 PolarHBondContact O-N 2.98Å; T294-E296 VanDerWaalsContact C-N 3.33Å
295	L	85.1	Confident	91.3	Very high	141 Å²	141	49.2 Å²	49.2	74%	0.738	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.1	176.1	-60.7	174.7	0	0	0	112.4	N293	N293-L295 PolarHBondContact O-N 3.33Å; N293-L295 WeakPolarHBondContact OD1-CB 3.5Å; N293-L295 PolarHBondContact OD1-N 3.49Å
296	E	89.3	Confident	91.5	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	25%	0.252	C	S	.	.			trans	-75.7	129	-179.8	-163.7	68.6	-104.6	0	0	110.3	P274 T291 N293 T294 S314 T316 Y320	P274-E296 HydrophobicContact CB-CB 3.92Å; P274-E296 HydrophobicContact CB-CG 3.64Å; P274-E296 HydrophobicContact CG-CB 4.03Å; P274-E296 HydrophobicContact CG-CG 4.32Å; P274-E296 WeakPolarHBondContact CG-O 3.31Å; T291-E296 HydrophobicContact CG2-CG 4.3Å; N293-E296 HydrophobicContact CB-CB 4.28Å; N293-E296 WeakPolarHBondContact O-CB 3.44Å; N293-E296 PolarHBondContact O-N 3.31Å; T294-E296 VanDerWaalsContact C-N 3.33Å; E296-S314 VanDerWaalsContact CD-OG 3.31Å; E296-S314 WeakPolarHBondContact OE1-CB 3.41Å; E296-S314 PolarHBondContact OE1-OG 2.84Å; E296-S314 WeakPolarHBondContact OE2-CB 3.07Å; E296-S314 PolarHBondContact OE2-OG 3.45Å; E296-S314 VanDerWaalsContact OE2-OG 3.06Å; E296-T316 WeakPolarHBondContact OE1-CB 3.32Å; E296-T316 WeakPolarHBondContact OE1-CG2 3.39Å; E296-T316 PolarHBondContact OE1-N 2.79Å; E296-T316 PolarHBondContact OE1-OG1 2.97Å; E296-T316 PolarHBondContact OE2-OG1 2.97Å; E296-Y320 HydrophobicContact CG-CE2 4.33Å; E296-Y320 WeakPolarHBondContact OE2-CE2 3.37Å; E296-Y320 VanDerWaalsContact OE2-CZ 3.3Å; E296-Y320 PolarHBondContact OE2-OH 2.99Å
297	S	88.1	Confident	91.7	Very high	70 Å²	70	44.8 Å²	44.8	49%	0.49	24%	0.244	S	C	.	.			trans	-97.4	-33.7	176.4	68.4	0	0	0	0	112.5	S315	S297-S315 PolarHBondContact OG-OG 3.33Å
298	S	92.9	Very high	91.7	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.07	24%	0.242	C	C	.	.			trans	-161.8	152	-170.8	52.8	0	0	0	0	112.8	E300 S314 S315	S298-E300 VanDerWaalsContact CB-OE1 3.27Å; S298-E300 WeakPolarHBondContact CB-OE1 3.11Å; S298-E300 PolarHBondContact OG-OE1 3.19Å; S298-S314 WeakPolarHBondContact O-CA 3.35Å; S298-S314 VanDerWaalsContact O-CB 3.3Å; S298-S314 WeakPolarHBondContact O-CB 3.32Å; S298-S315 PolarHBondContact O-N 2.59Å; S298-S315 WeakPolarHBondContact OG-CB 3.43Å; S298-S315 PolarHBondContact OG-OG 3.33Å
299	V	95.4	Very high	92	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.4	164.2	-178.6	0	0	0	0	106.7	C268 S269 T291 G313 W322	C268-V299 HydrophobicContact CB-CB 3.93Å; C268-V299 HydrophobicContact CB-CG1 3.63Å; C268-V299 VanDerWaalsContact CB-O 3.22Å; C268-V299 WeakPolarHBondContact CB-O 3.25Å; C268-V299 PolarHBondContact SG-O 2.86Å; S269-V299 PolarHBondContact O-N 2.62Å; T291-V299 HydrophobicContact CG2-CG2 4.16Å; V299-G313 CarbonylContact C-O 3.59Å; V299-W322 HydrophobicContact CG1-CH2 4.29Å; V299-W322 HydrophobicContact CG2-CH2 4.05Å
300	E	93.7	Very high	92.2	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-31.6	-169.3	-67.7	-62.5	135.5	0	0	113.3	S298 G313 H441 R442	S298-E300 VanDerWaalsContact CB-OE1 3.27Å; S298-E300 WeakPolarHBondContact CB-OE1 3.11Å; S298-E300 PolarHBondContact OG-OE1 3.19Å; E300-G313 PolarHBondContact N-O 3.21Å; E300-H441 IonicContact OE2-CE1 3.48Å; E300-R442 PolarHBondContact O-NH2 2.71Å
301	C	96.5	Very high	92.6	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.054	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.2	-176.8	60.2	0	0	0	0	111.7	G312 G313 V359 A361 I362	C301-G312 CarbonylContact O-C 3.58Å; C301-G312 WeakPolarHBondContact O-CA 3.44Å; C301-G313 PolarHBondContact N-O 2.94Å; C301-G313 PolarHBondContact O-N 3.23Å; C301-V359 PolarHBondContact SG-O 2.92Å; C301-V359 VanDerWaalsContact SG-O 3.33Å; C301-A361 VanDerWaalsContact SG-C 3.54Å; C301-I362 HydrophobicContact CB-CG2 4.02Å
302	I	97.5	Very high	93	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.2	-176.5	-171.1	57.7	0	0	0	110.6	C258 V266 C268 V276 F310 I311	C258-I302 HydrophobicContact CB-CG2 4.48Å; V266-I302 HydrophobicContact CG1-CG1 3.83Å; V266-I302 HydrophobicContact CG2-CD1 4.32Å; V266-I302 HydrophobicContact CG2-CG1 4.08Å; C268-I302 HydrophobicContact CB-CB 3.85Å; C268-I302 HydrophobicContact CB-CG2 4.2Å; V276-I302 HydrophobicContact CG1-CD1 3.64Å; V276-I302 HydrophobicContact CG1-CG1 4.45Å; I302-F310 HydrophobicContact CD1-CB 4.07Å; I302-I311 CarbonylContact C-O 3.58Å; I302-I311 WeakPolarHBondContact CA-O 3.33Å; I302-I311 WeakPolarHBondContact CD1-O 3.16Å
303	Y	97.9	Very high	93.5	Very high	24 Å²	24	28.5 Å²	28.5	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.2	169.4	171.9	-112.3	0	0	0	109.1	V305 F310 I311 G364 I371	Y303-V305 HydrophobicContact CD1-CG2 4.08Å; Y303-V305 HydrophobicContact CE1-CB 4.21Å; Y303-V305 HydrophobicContact CE1-CG2 3.79Å; Y303-F310 WeakPolarHBondContact O-CA 3.21Å; Y303-I311 PolarHBondContact N-O 3.03Å; Y303-I311 PolarHBondContact O-N 3.06Å; Y303-G364 VanDerWaalsContact CE1-CA 3.46Å; Y303-G364 PolarHBondContact OH-O 2.84Å; Y303-I371 HydrophobicContact CE1-CG1 4.46Å
304	A	97.3	Very high	94	Very high	8 Å²	8	25.7 Å²	25.7	7%	0.066	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.6	168.6	0	0	0	0	0	108.9	C258 L260 V266 F310	C258-A304 HydrophobicContact CB-CB 4.27Å; C258-A304 PolarHBondContact SG-N 3.27Å; C258-A304 VanDerWaalsContact SG-N 3.42Å; L260-A304 HydrophobicContact CD2-CB 3.33Å; V266-A304 HydrophobicContact CG1-CB 3.95Å; A304-F310 HydrophobicContact CB-CD1 3.87Å; A304-F310 HydrophobicContact CB-CE1 4.36Å
305	V	95.7	Very high	94.4	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.03	11%	0.111	C	C	.	.	S	Bend	trans	-63	-42.6	172.1	177.8	0	0	0	0	109	L93 Y303 I309 I311 I371 L385	L93-V305 HydrophobicContact CD1-CG1 3.6Å; Y303-V305 HydrophobicContact CD1-CG2 4.08Å; Y303-V305 HydrophobicContact CE1-CB 4.21Å; Y303-V305 HydrophobicContact CE1-CG2 3.79Å; V305-I309 HydrophobicContact CB-CB 4.2Å; V305-I309 HydrophobicContact CB-CG2 4.2Å; V305-I309 HydrophobicContact CG2-CG2 3.97Å; V305-I309 PolarHBondContact N-O 3.21Å; V305-I311 HydrophobicContact CG2-CD1 3.54Å; V305-I311 HydrophobicContact CG2-CG1 3.92Å; V305-I371 HydrophobicContact CG2-CD1 4.47Å; V305-L385 HydrophobicContact CB-CD2 4.39Å; V305-L385 HydrophobicContact CG1-CD2 3.64Å; V305-L385 HydrophobicContact CG2-CD2 4.1Å
306	N	94.1	Very high	94.7	Very high	14 Å²	14	15.7 Å²	15.7	8%	0.075	9%	0.091	C	C	.	.	S	Bend	trans	-160.2	-172.9	-176.2	73.4	15.9	0	0	0	109	G90 E308 I309	G90-N306 VanDerWaalsContact O-CB 3.23Å; G90-N306 WeakPolarHBondContact O-CB 3.28Å; N306-E308 PolarHBondContact O-N 3.27Å; N306-E308 VanDerWaalsContact O-N 3.11Å; N306-E308 WeakPolarHBondContact OD1-CA 3.3Å; N306-E308 PolarHBondContact OD1-N 2.79Å; N306-I309 PolarHBondContact OD1-N 3.39Å
307	D	93.5	Very high	94.9	Very high	17 Å²	17	15.7 Å²	15.7	9%	0.091	9%	0.091	C	C	.	.	S	Bend	trans	-69.8	-5.5	-177.7	-82.4	31	0	0	0	114.6	G90 L260 V261 S262	G90-D307 PolarHBondContact O-N 2.97Å; L260-D307 WeakPolarHBondContact CB-OD1 3.41Å; V261-D307 PolarHBondContact N-OD1 3.22Å; S262-D307 WeakPolarHBondContact CB-OD2 3.1Å; S262-D307 PolarHBondContact N-OD2 2.71Å; S262-D307 PolarHBondContact OG-OD2 3.23Å
308	E	92.9	Very high	95.3	Very high	53 Å²	53	12.6 Å²	12.6	25%	0.248	7%	0.069	C	C	.	.	S	Bend	trans	-118.3	-27.5	-177.1	-60.2	-169.1	132.7	0	0	113.9	K91 N306 H323 S324	K91-E308 WeakPolarHBondContact CD-OE2 3.46Å; K91-E308 WeakPolarHBondContact CE-OE1 3.35Å; K91-E308 VanDerWaalsContact CE-OE2 3.22Å; K91-E308 WeakPolarHBondContact CE-OE2 3.44Å; K91-E308 IonicContact NZ-OE1 3.28Å; K91-E308 PolarHBondContact NZ-OE1 3.4Å; K91-E308 IonicContact NZ-OE2 3.65Å; K91-E308 PolarHBondContact NZ-OE2 2.91Å; N306-E308 PolarHBondContact O-N 3.27Å; N306-E308 VanDerWaalsContact O-N 3.11Å; N306-E308 WeakPolarHBondContact OD1-CA 3.3Å; N306-E308 PolarHBondContact OD1-N 2.79Å; E308-H323 CarbonylContact O-C 3.52Å; E308-H323 VanDerWaalsContact O-CA 3.23Å; E308-H323 WeakPolarHBondContact O-CA 3.44Å; E308-S324 PolarHBondContact O-N 3.01Å
309	I	95.8	Very high	95.5	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.021	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122	-169.3	-60.6	168.3	0	0	0	109.9	V305 N306 I321 W322 L385 V405	V305-I309 HydrophobicContact CB-CB 4.2Å; V305-I309 HydrophobicContact CB-CG2 4.2Å; V305-I309 HydrophobicContact CG2-CG2 3.97Å; V305-I309 PolarHBondContact N-O 3.21Å; N306-I309 PolarHBondContact OD1-N 3.39Å; I309-I321 HydrophobicContact CG2-CG2 3.87Å; I309-W322 WeakPolarHBondContact CA-O 3.41Å; I309-L385 HydrophobicContact CD1-CD2 4.46Å; I309-V405 HydrophobicContact CD1-CG1 4.05Å; I309-V405 HydrophobicContact CD1-CG2 3.77Å; I309-V405 HydrophobicContact CG1-CG2 4.21Å; I309-V405 HydrophobicContact CG2-CG1 4.08Å
310	F	96.7	Very high	95.6	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.4	-178.8	-38.6	-55	0	0	0	109.5	L260 V266 V278 I302 Y303 A304 I321 W322	L260-F310 HydrophobicContact CD1-CE1 4.3Å; L260-F310 HydrophobicContact CD2-CE1 3.91Å; V266-F310 HydrophobicContact CB-CD1 4.27Å; V266-F310 HydrophobicContact CB-CG 4.45Å; V266-F310 HydrophobicContact CG1-CD1 4.08Å; V266-F310 HydrophobicContact CG1-CG 4.47Å; V266-F310 HydrophobicContact CG2-CB 4.32Å; V266-F310 HydrophobicContact CG2-CD1 4.37Å; V266-F310 HydrophobicContact CG2-CD2 4.26Å; V266-F310 HydrophobicContact CG2-CG 4.04Å; V278-F310 HydrophobicContact CG2-CD2 4.14Å; V278-F310 HydrophobicContact CG2-CE2 3.46Å; V278-F310 VanDerWaalsContact CG2-CE2 3.46Å; V278-F310 HydrophobicContact CG2-CZ 3.88Å; I302-F310 HydrophobicContact CD1-CB 4.07Å; Y303-F310 WeakPolarHBondContact O-CA 3.21Å; A304-F310 HydrophobicContact CB-CD1 3.87Å; A304-F310 HydrophobicContact CB-CE1 4.36Å; F310-I321 CarbonylContact O-C 3.55Å; F310-I321 WeakPolarHBondContact O-CA 3.16Å; F310-W322 HydrophobicContact CD2-CB 4.28Å; F310-W322 PolarHBondContact N-O 2.85Å; F310-W322 PolarHBondContact O-N 2.97Å
311	I	98	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.5	-178.4	-47.7	179.9	0	0	0	108.7	I302 Y303 V305 I319 Y320 I321 I362 I371 L385 I407	I302-I311 CarbonylContact C-O 3.58Å; I302-I311 WeakPolarHBondContact CA-O 3.33Å; I302-I311 WeakPolarHBondContact CD1-O 3.16Å; Y303-I311 PolarHBondContact N-O 3.03Å; Y303-I311 PolarHBondContact O-N 3.06Å; V305-I311 HydrophobicContact CG2-CD1 3.54Å; V305-I311 HydrophobicContact CG2-CG1 3.92Å; I311-I319 HydrophobicContact CG2-CG2 3.43Å; I311-I319 VanDerWaalsContact CG2-CG2 3.43Å; I311-Y320 CarbonylContact C-O 3.58Å; I311-Y320 VanDerWaalsContact CA-O 3.32Å; I311-Y320 WeakPolarHBondContact CA-O 3.13Å; I311-I321 HydrophobicContact CG1-CG1 4.31Å; I311-I321 HydrophobicContact CG1-CG2 4.47Å; I311-I321 HydrophobicContact CG2-CG1 4.3Å; I311-I362 HydrophobicContact CB-CD1 3.88Å; I311-I362 HydrophobicContact CG2-CD1 3.29Å; I311-I371 HydrophobicContact CD1-CD1 3.26Å; I311-I371 HydrophobicContact CD1-CG1 4.07Å; I311-L385 HydrophobicContact CD1-CD1 4.14Å; I311-I407 HydrophobicContact CD1-CG2 4.32Å
312	G	97.5	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	-179.2	0	0	0	0	0	112.1	C301 I319 Y320	C301-G312 CarbonylContact O-C 3.58Å; C301-G312 WeakPolarHBondContact O-CA 3.44Å; G312-I319 WeakPolarHBondContact O-CA 3.4Å; G312-Y320 PolarHBondContact N-O 3.07Å; G312-Y320 PolarHBondContact O-N 2.96Å
313	G	96.9	Very high	95.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.5	174.9	0	0	0	0	0	111.2	V299 E300 C301	V299-G313 CarbonylContact C-O 3.59Å; E300-G313 PolarHBondContact N-O 3.21Å; C301-G313 PolarHBondContact N-O 2.94Å; C301-G313 PolarHBondContact O-N 3.23Å
314	S	95.1	Very high	95.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	167.3	-172.9	85.4	0	0	0	0	114.6	E296 S298 T316 T318 V359	E296-S314 VanDerWaalsContact CD-OG 3.31Å; E296-S314 WeakPolarHBondContact OE1-CB 3.41Å; E296-S314 PolarHBondContact OE1-OG 2.84Å; E296-S314 WeakPolarHBondContact OE2-CB 3.07Å; E296-S314 PolarHBondContact OE2-OG 3.45Å; E296-S314 VanDerWaalsContact OE2-OG 3.06Å; S298-S314 WeakPolarHBondContact O-CA 3.35Å; S298-S314 VanDerWaalsContact O-CB 3.3Å; S298-S314 WeakPolarHBondContact O-CB 3.32Å; S314-T316 PolarHBondContact O-N 3.14Å; S314-T316 PolarHBondContact OG-N 3.47Å; S314-T316 PolarHBondContact OG-OG1 3.09Å; S314-T318 WeakPolarHBondContact CB-O 3.3Å; S314-T318 PolarHBondContact N-O 3.49Å; S314-T318 VanDerWaalsContact OG-CB 3.32Å; S314-T318 WeakPolarHBondContact OG-CB 3.48Å; S314-T318 PolarHBondContact OG-N 3.31Å; S314-T318 VanDerWaalsContact OG-N 3.15Å; S314-T318 PolarHBondContact OG-O 3.4Å; S314-V359 PolarHBondContact O-N 2.85Å
315	S	92	Very high	95.1	Very high	18 Å²	18	15 Å²	15	13%	0.126	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.1	173.7	63.5	0	0	0	0	113.2	S297 S298 N317	S297-S315 PolarHBondContact OG-OG 3.33Å; S298-S315 PolarHBondContact O-N 2.59Å; S298-S315 WeakPolarHBondContact OG-CB 3.43Å; S298-S315 PolarHBondContact OG-OG 3.33Å; S315-N317 VanDerWaalsContact C-N 3.34Å
316	T	91.7	Very high	94.8	Very high	53 Å²	53	20.8 Å²	20.8	33%	0.325	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	21.2	178.6	61.2	0	0	0	0	113.4	E296 S314 T318	E296-T316 WeakPolarHBondContact OE1-CB 3.32Å; E296-T316 WeakPolarHBondContact OE1-CG2 3.39Å; E296-T316 PolarHBondContact OE1-N 2.79Å; E296-T316 PolarHBondContact OE1-OG1 2.97Å; E296-T316 PolarHBondContact OE2-OG1 2.97Å; S314-T316 PolarHBondContact O-N 3.14Å; S314-T316 PolarHBondContact OG-N 3.47Å; S314-T316 PolarHBondContact OG-OG1 3.09Å; T316-T318 VanDerWaalsContact C-N 3.29Å; T316-T318 PolarHBondContact O-N 2.79Å; T316-T318 PolarHBondContact O-OG1 3.01Å; T316-T318 PolarHBondContact OG1-OG1 3.13Å
317	N	94.6	Very high	94.6	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.048	13%	0.134	C	C	.	.	S	Bend	trans	61.1	34.7	-174.4	-161.8	10.3	0	0	0	113.2	S315 P335 A336 H337 N357	S315-N317 VanDerWaalsContact C-N 3.34Å; N317-P335 VanDerWaalsContact ND2-CB 3.35Å; N317-P335 WeakPolarHBondContact ND2-CB 3.48Å; N317-P335 CarbonylContact O-C 3.51Å; N317-A336 WeakPolarHBondContact O-CB 3.41Å; N317-A336 PolarHBondContact O-N 2.54Å; N317-A336 PolarHBondContact OD1-N 2.97Å; N317-H337 PolarHBondContact ND2-O 3.22Å; N317-H337 PolarHBondContact OD1-N 3.3Å; N317-N357 VanDerWaalsContact CA-O 3.32Å; N317-N357 WeakPolarHBondContact CA-O 3.15Å; N317-N357 WeakPolarHBondContact CB-O 3.14Å; N317-N357 PolarHBondContact N-O 2.8Å; N317-N357 PolarHBondContact ND2-ND2 3.05Å
318	T	96	Very high	94.5	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.025	14%	0.139	C	C	.	.			trans	-115.8	137.4	-177.9	-57.6	0	0	0	0	109.9	S314 T316 Y320 T332 V333 S334	S314-T318 WeakPolarHBondContact CB-O 3.3Å; S314-T318 PolarHBondContact N-O 3.49Å; S314-T318 VanDerWaalsContact OG-CB 3.32Å; S314-T318 WeakPolarHBondContact OG-CB 3.48Å; S314-T318 PolarHBondContact OG-N 3.31Å; S314-T318 VanDerWaalsContact OG-N 3.15Å; S314-T318 PolarHBondContact OG-O 3.4Å; T316-T318 VanDerWaalsContact C-N 3.29Å; T316-T318 PolarHBondContact O-N 2.79Å; T316-T318 PolarHBondContact O-OG1 3.01Å; T316-T318 PolarHBondContact OG1-OG1 3.13Å; T318-Y320 HydrophobicContact CG2-CD1 4.27Å; T318-Y320 HydrophobicContact CG2-CD2 4.09Å; T318-Y320 HydrophobicContact CG2-CE1 3.82Å; T318-Y320 HydrophobicContact CG2-CE2 3.61Å; T318-Y320 HydrophobicContact CG2-CG 4.4Å; T318-Y320 VanDerWaalsContact CG2-CZ 3.46Å; T318-T332 HydrophobicContact CG2-CG2 3.31Å; T318-V333 WeakPolarHBondContact CA-O 3.39Å; T318-S334 WeakPolarHBondContact OG1-CB 3.49Å; T318-S334 PolarHBondContact OG1-OG 3.36Å
319	I	97.5	Very high	94.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.5	166.9	-67.9	173	0	0	0	108.1	I311 G312 T332 V333 A336 V359 I362 W383 I407	I311-I319 HydrophobicContact CG2-CG2 3.43Å; I311-I319 VanDerWaalsContact CG2-CG2 3.43Å; G312-I319 WeakPolarHBondContact O-CA 3.4Å; I319-T332 CarbonylContact O-C 3.32Å; I319-T332 WeakPolarHBondContact O-CA 3.41Å; I319-V333 PolarHBondContact N-O 3.37Å; I319-V333 PolarHBondContact O-N 2.9Å; I319-A336 HydrophobicContact CB-CB 4.33Å; I319-A336 HydrophobicContact CD1-CB 3.73Å; I319-A336 HydrophobicContact CG1-CB 3.64Å; I319-V359 HydrophobicContact CD1-CG1 4.48Å; I319-V359 HydrophobicContact CG1-CG1 4.18Å; I319-V359 HydrophobicContact CG1-CG2 4.08Å; I319-I362 HydrophobicContact CG2-CD1 4.43Å; I319-W383 HydrophobicContact CD1-CH2 4.16Å; I319-W383 HydrophobicContact CD1-CZ2 3.54Å; I319-I407 HydrophobicContact CB-CD1 4.3Å; I319-I407 HydrophobicContact CD1-CD1 4.44Å; I319-I407 HydrophobicContact CG2-CD1 3.62Å
320	Y	97.1	Very high	94.5	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.6	175.4	-64.6	-79.6	0	0	0	110.1	T291 E296 I311 G312 T318 W322 P329 T332	T291-Y320 HydrophobicContact CG2-CD1 4.34Å; T291-Y320 HydrophobicContact CG2-CD2 3.9Å; T291-Y320 HydrophobicContact CG2-CE1 4.13Å; T291-Y320 HydrophobicContact CG2-CE2 3.68Å; T291-Y320 HydrophobicContact CG2-CG 4.23Å; E296-Y320 HydrophobicContact CG-CE2 4.33Å; E296-Y320 WeakPolarHBondContact OE2-CE2 3.37Å; E296-Y320 VanDerWaalsContact OE2-CZ 3.3Å; E296-Y320 PolarHBondContact OE2-OH 2.99Å; I311-Y320 CarbonylContact C-O 3.58Å; I311-Y320 VanDerWaalsContact CA-O 3.32Å; I311-Y320 WeakPolarHBondContact CA-O 3.13Å; G312-Y320 PolarHBondContact N-O 3.07Å; G312-Y320 PolarHBondContact O-N 2.96Å; T318-Y320 HydrophobicContact CG2-CD1 4.27Å; T318-Y320 HydrophobicContact CG2-CD2 4.09Å; T318-Y320 HydrophobicContact CG2-CE1 3.82Å; T318-Y320 HydrophobicContact CG2-CE2 3.61Å; T318-Y320 HydrophobicContact CG2-CG 4.4Å; T318-Y320 VanDerWaalsContact CG2-CZ 3.46Å; Y320-W322 VanDerWaalsContact CB-CZ3 3.45Å; Y320-W322 HydrophobicContact CD2-CH2 4.04Å; Y320-W322 HydrophobicContact CD2-CZ2 4.44Å; Y320-W322 AromaticContact CG-CH2 3.89Å; Y320-W322 HydrophobicContact CG-CH2 3.89Å; Y320-W322 HydrophobicContact CG-CZ2 4.08Å; Y320-P329 HydrophobicContact CD1-CB 3.96Å; Y320-P329 HydrophobicContact CD1-CG 3.65Å; Y320-P329 HydrophobicContact CE1-CG 4.32Å; Y320-P329 HydrophobicContact CG-CG 4.32Å; Y320-T332 HydrophobicContact CD1-CG2 3.73Å; Y320-T332 WeakPolarHBondContact CD1-OG1 3.12Å; Y320-T332 HydrophobicContact CE1-CG2 3.58Å
321	I	97.2	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.2	169.1	-51.8	-177.8	0	0	0	108.1	I309 F310 I311 P329 V330 F331 L385 V405 I407	I309-I321 HydrophobicContact CG2-CG2 3.87Å; F310-I321 CarbonylContact O-C 3.55Å; F310-I321 WeakPolarHBondContact O-CA 3.16Å; I311-I321 HydrophobicContact CG1-CG1 4.31Å; I311-I321 HydrophobicContact CG1-CG2 4.47Å; I311-I321 HydrophobicContact CG2-CG1 4.3Å; I321-P329 CarbonylContact O-C 3.58Å; I321-P329 WeakPolarHBondContact O-CA 3.35Å; I321-V330 HydrophobicContact CB-CG2 4.01Å; I321-V330 HydrophobicContact CG2-CG2 3.74Å; I321-V330 VanDerWaalsContact O-CG2 3.3Å; I321-V330 WeakPolarHBondContact O-CG2 3.17Å; I321-V330 PolarHBondContact O-N 3.38Å; I321-F331 HydrophobicContact CB-CB 4.16Å; I321-F331 HydrophobicContact CD1-CB 4.07Å; I321-F331 HydrophobicContact CD1-CD1 3.75Å; I321-F331 HydrophobicContact CD1-CG 4.33Å; I321-F331 HydrophobicContact CG1-CB 4.29Å; I321-F331 HydrophobicContact CG1-CD1 4.3Å; I321-F331 PolarHBondContact N-O 3.21Å; I321-F331 PolarHBondContact O-N 2.86Å; I321-L385 HydrophobicContact CD1-CD1 4.4Å; I321-V405 HydrophobicContact CD1-CG1 4.47Å; I321-V405 HydrophobicContact CG2-CB 4.42Å; I321-V405 HydrophobicContact CG2-CG1 4.08Å; I321-I407 HydrophobicContact CD1-CB 4.23Å; I321-I407 HydrophobicContact CD1-CG1 4.07Å; I321-I407 HydrophobicContact CD1-CG2 3.67Å
322	W	96.1	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.6	170	-65.1	-93.8	0	0	0	110.2	V276 T291 V299 I309 F310 Y320 P329	V276-W322 HydrophobicContact CG1-CD2 4.29Å; V276-W322 HydrophobicContact CG1-CE3 3.87Å; V276-W322 HydrophobicContact CG1-CH2 3.74Å; V276-W322 HydrophobicContact CG1-CZ2 4.2Å; V276-W322 HydrophobicContact CG1-CZ3 3.57Å; V276-W322 HydrophobicContact CG2-CB 4.43Å; V276-W322 HydrophobicContact CG2-CD2 3.73Å; V276-W322 HydrophobicContact CG2-CE3 4.02Å; V276-W322 HydrophobicContact CG2-CG 3.92Å; V276-W322 HydrophobicContact CG2-CZ2 4.49Å; V276-W322 HydrophobicContact CG2-CZ3 4.49Å; T291-W322 HydrophobicContact CG2-CH2 4.43Å; T291-W322 HydrophobicContact CG2-CZ2 3.83Å; V299-W322 HydrophobicContact CG1-CH2 4.29Å; V299-W322 HydrophobicContact CG2-CH2 4.05Å; I309-W322 WeakPolarHBondContact CA-O 3.41Å; F310-W322 HydrophobicContact CD2-CB 4.28Å; F310-W322 PolarHBondContact N-O 2.85Å; F310-W322 PolarHBondContact O-N 2.97Å; Y320-W322 VanDerWaalsContact CB-CZ3 3.45Å; Y320-W322 HydrophobicContact CD2-CH2 4.04Å; Y320-W322 HydrophobicContact CD2-CZ2 4.44Å; Y320-W322 AromaticContact CG-CH2 3.89Å; Y320-W322 HydrophobicContact CG-CH2 3.89Å; Y320-W322 HydrophobicContact CG-CZ2 4.08Å; W322-P329 HydrophobicContact CZ2-CG 4.21Å
323	H	94.5	Very high	94.3	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.6	164.9	-173.4	-83.3	0	0	0	108.2	E308 S325 R326 V330	E308-H323 CarbonylContact O-C 3.52Å; E308-H323 VanDerWaalsContact O-CA 3.23Å; E308-H323 WeakPolarHBondContact O-CA 3.44Å; H323-S325 PolarHBondContact CE1-OG 2.85Å; H323-S325 WeakPolarHBondContact ND1-CB 2.95Å; H323-S325 PolarHBondContact ND1-N 3.35Å; H323-S325 VanDerWaalsContact ND1-N 3.16Å; H323-S325 PolarHBondContact ND1-OG 3.13Å; H323-S325 PolarHBondContact O-N 3.2Å; H323-R326 PolarHBondContact O-N 2.85Å; H323-R326 VanDerWaalsContact O-O 3.12Å; H323-V330 HydrophobicContact CB-CG1 3.73Å; H323-V330 HydrophobicContact CB-CG2 4.36Å
324	S	92.4	Very high	94.2	Very high	42 Å²	42	34.3 Å²	34.3	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.6	-175.5	66.3	0	0	0	0	114.5	Y289 E308	Y289-S324 PolarHBondContact OH-O 2.82Å; E308-S324 PolarHBondContact O-N 3.01Å
325	S	91.1	Very high	94.1	Very high	77 Å²	77	37 Å²	37	54%	0.538	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.5	175.1	72.6	0	0	0	0	114.9	H323 T403	H323-S325 PolarHBondContact CE1-OG 2.85Å; H323-S325 WeakPolarHBondContact ND1-CB 2.95Å; H323-S325 PolarHBondContact ND1-N 3.35Å; H323-S325 VanDerWaalsContact ND1-N 3.16Å; H323-S325 PolarHBondContact ND1-OG 3.13Å; H323-S325 PolarHBondContact O-N 3.2Å; S325-T403 WeakPolarHBondContact OG-CG2 3.43Å
326	R	89.8	Confident	94.3	Very high	127 Å²	127	36.2 Å²	36.2	48%	0.479	22%	0.222	S	C	.	.			trans	-126.4	123.7	-176.5	-57.7	-160.2	92.7	135.1	-2.7	111.1	Y289 H323 S328 V330 T403	Y289-R326 WeakPolarHBondContact CD1-O 3.28Å; Y289-R326 VanDerWaalsContact CE1-O 3.29Å; Y289-R326 WeakPolarHBondContact CE1-O 3.35Å; H323-R326 PolarHBondContact O-N 2.85Å; H323-R326 VanDerWaalsContact O-O 3.12Å; R326-S328 PolarHBondContact O-N 2.82Å; R326-V330 HydrophobicContact CB-CG1 4.25Å; R326-V330 HydrophobicContact CG-CG1 4.18Å; R326-T403 HydrophobicContact CG-CG2 4.19Å; R326-T403 PolarHBondContact NH1-OG1 3.11Å
327	G	89.4	Confident	94.5	Very high	52 Å²	52	33.8 Å²	33.8	54%	0.536	21%	0.206	S	C	.	.	S	Bend	trans	-67	-16.4	-179.5	0	0	0	0	0	115.7	Y289 S290	Y289-G327 WeakPolarHBondContact CA-O 3.15Å; S290-G327 PolarHBondContact N-O 2.93Å
328	S	91.9	Very high	94.3	Very high	28 Å²	28	36.6 Å²	36.6	20%	0.196	23%	0.225	C	C	.	.	S	Bend	trans	-113.6	159.4	174.7	64.5	0	0	0	0	111.2	K292 R326 V330	K292-S328 VanDerWaalsContact CE-CB 3.45Å; K292-S328 PolarHBondContact NZ-OG 2.82Å; R326-S328 PolarHBondContact O-N 2.82Å; S328-V330 PolarHBondContact O-N 3.5Å
329	P	94.8	Very high	93.8	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.143	26%	0.255	C	S	.	.			trans	-50.5	137.4	175.3	-24.5	28.7	0	0	0	111.6	S290 Y320 I321 W322	S290-P329 WeakPolarHBondContact O-CD 3.43Å; Y320-P329 HydrophobicContact CD1-CB 3.96Å; Y320-P329 HydrophobicContact CD1-CG 3.65Å; Y320-P329 HydrophobicContact CE1-CG 4.32Å; Y320-P329 HydrophobicContact CG-CG 4.32Å; I321-P329 CarbonylContact O-C 3.58Å; I321-P329 WeakPolarHBondContact O-CA 3.35Å; W322-P329 HydrophobicContact CZ2-CG 4.21Å
330	V	94.5	Very high	92.7	Very high	38 Å²	38	42.5 Å²	42.5	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-83	-26.6	172	-71.3	0	0	0	0	111.7	I321 H323 R326 S328 V405	I321-V330 HydrophobicContact CB-CG2 4.01Å; I321-V330 HydrophobicContact CG2-CG2 3.74Å; I321-V330 VanDerWaalsContact O-CG2 3.3Å; I321-V330 WeakPolarHBondContact O-CG2 3.17Å; I321-V330 PolarHBondContact O-N 3.38Å; H323-V330 HydrophobicContact CB-CG1 3.73Å; H323-V330 HydrophobicContact CB-CG2 4.36Å; R326-V330 HydrophobicContact CB-CG1 4.25Å; R326-V330 HydrophobicContact CG-CG1 4.18Å; S328-V330 PolarHBondContact O-N 3.5Å; V330-V405 HydrophobicContact CG2-CB 4.33Å
331	F	95.8	Very high	91.2	Very high	65 Å²	65	51.7 Å²	51.7	29%	0.285	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.1	-179.6	-172.4	-105.5	0	0	0	110.4	I321 V333 V405 I407	I321-F331 HydrophobicContact CB-CB 4.16Å; I321-F331 HydrophobicContact CD1-CB 4.07Å; I321-F331 HydrophobicContact CD1-CD1 3.75Å; I321-F331 HydrophobicContact CD1-CG 4.33Å; I321-F331 HydrophobicContact CG1-CB 4.29Å; I321-F331 HydrophobicContact CG1-CD1 4.3Å; I321-F331 PolarHBondContact N-O 3.21Å; I321-F331 PolarHBondContact O-N 2.86Å; F331-V333 HydrophobicContact CD1-CG2 3.97Å; F331-V333 HydrophobicContact CE1-CG2 3.24Å; F331-V333 HydrophobicContact CZ-CG2 3.95Å; F331-V405 WeakPolarHBondContact CB-O 3.39Å; F331-I407 HydrophobicContact CD1-CG1 4.16Å; F331-I407 HydrophobicContact CE1-CG1 3.84Å; F331-I407 VanDerWaalsContact CE1-N 3.35Å; F331-I407 WeakPolarHBondContact CE1-O 2.88Å
332	T	95.7	Very high	89.5	Confident	67 Å²	67	56.4 Å²	56.4	41%	0.411	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.9	-176.6	-56.5	0	0	0	0	109	T318 I319 Y320	T318-T332 HydrophobicContact CG2-CG2 3.31Å; I319-T332 CarbonylContact O-C 3.32Å; I319-T332 WeakPolarHBondContact O-CA 3.41Å; Y320-T332 HydrophobicContact CD1-CG2 3.73Å; Y320-T332 WeakPolarHBondContact CD1-OG1 3.12Å; Y320-T332 HydrophobicContact CE1-CG2 3.58Å
333	V	96.1	Very high	87.6	Confident	24 Å²	24	61 Å²	61	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.4	171.7	-178.3	0	0	0	0	109.1	T318 I319 F331 W383 I407	T318-V333 WeakPolarHBondContact CA-O 3.39Å; I319-V333 PolarHBondContact N-O 3.37Å; I319-V333 PolarHBondContact O-N 2.9Å; F331-V333 HydrophobicContact CD1-CG2 3.97Å; F331-V333 HydrophobicContact CE1-CG2 3.24Å; F331-V333 HydrophobicContact CZ-CG2 3.95Å; V333-W383 HydrophobicContact CG1-CH2 4.14Å; V333-W383 HydrophobicContact CG1-CZ3 4.03Å; V333-I407 HydrophobicContact CG2-CD1 4.13Å; V333-I407 HydrophobicContact CG2-CG1 3.83Å
334	S	94.5	Very high	85.7	Confident	77 Å²	77	65.7 Å²	65.7	54%	0.538	39%	0.391	S	S	.	.	S	Bend	trans	-146	132	175.4	-165.7	0	0	0	0	110.2	T318	T318-S334 WeakPolarHBondContact OG1-CB 3.49Å; T318-S334 PolarHBondContact OG1-OG 3.36Å
335	P	93.9	Very high	83.9	Confident	58 Å²	58	67.1 Å²	67.1	38%	0.377	40%	0.399	S	S	.	.	S	Bend	cis	-70.4	142.6	-9.6	30.5	-34.2	0	0	0	110.9	N317 V339 R409	N317-P335 VanDerWaalsContact ND2-CB 3.35Å; N317-P335 WeakPolarHBondContact ND2-CB 3.48Å; N317-P335 CarbonylContact O-C 3.51Å; P335-V339 HydrophobicContact CB-CG2 4.14Å; P335-V339 HydrophobicContact CG-CG2 4.15Å; P335-R409 PolarHBondContact O-NH2 3.12Å
336	A	95.7	Very high	82.2	Confident	1 Å²	1	66 Å²	66	1%	0.008	39%	0.391	C	S	.	.			trans	-78.2	-45.5	177.7	0	0	0	0	0	112.2	N317 I319 V359 W383 R409	N317-A336 WeakPolarHBondContact O-CB 3.41Å; N317-A336 PolarHBondContact O-N 2.54Å; N317-A336 PolarHBondContact OD1-N 2.97Å; I319-A336 HydrophobicContact CB-CB 4.33Å; I319-A336 HydrophobicContact CD1-CB 3.73Å; I319-A336 HydrophobicContact CG1-CB 3.64Å; A336-V359 HydrophobicContact CB-CG2 3.99Å; A336-W383 HydrophobicContact CB-CH2 4.19Å; A336-W383 HydrophobicContact CB-CZ2 4.25Å; A336-W383 VanDerWaalsContact O-CH2 3.29Å; A336-W383 WeakPolarHBondContact O-CH2 3.2Å; A336-R409 PolarHBondContact O-NH2 2.82Å
337	H	95.3	Very high	80.9	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	41%	0.413	C	S	.	.	S	Bend	trans	-107.5	163.1	173.6	-68.7	-84.5	0	0	0	111.8	N317 V339 S373 H379	N317-H337 PolarHBondContact ND2-O 3.22Å; N317-H337 PolarHBondContact OD1-N 3.3Å; H337-V339 PolarHBondContact O-N 3.2Å; H337-S373 PolarHBondContact CE1-O 2.95Å; H337-S373 PolarHBondContact CE1-OG 3.32Å; H337-S373 PolarHBondContact NE2-OG 3.36Å; H337-H379 HydrophobicContact CB-CB 4.49Å; H337-H379 PolarHBondContact CE1-O 3.09Å; H337-H379 PolarHBondContact ND1-O 2.99Å
338	P	92	Very high	79.6	Confident	69 Å²	69	71.1 Å²	71.1	45%	0.448	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-50.4	137.8	173.8	-27.8	36.3	0	0	0	111.9	A340 N357	P338-A340 PolarHBondContact O-N 3.13Å; P338-N357 PolarHBondContact O-ND2 2.72Å
339	V	85.2	Confident	78.1	Confident	105 Å²	105	75.7 Å²	75.7	64%	0.636	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-66.8	127.9	176.6	-177.1	0	0	0	0	108.4	P335 H337 K341 N357	P335-V339 HydrophobicContact CB-CG2 4.14Å; P335-V339 HydrophobicContact CG-CG2 4.15Å; H337-V339 PolarHBondContact O-N 3.2Å; V339-K341 PolarHBondContact O-N 3.33Å; V339-N357 WeakPolarHBondContact CA-ND2 3.32Å
340	A	73.4	Confident	76.2	Confident	24 Å²	24	78.8 Å²	78.8	20%	0.198	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-56.6	122.8	177	0	0	0	0	0	109.7	P338 L342 V355 N357 T377	P338-A340 PolarHBondContact O-N 3.13Å; A340-L342 PolarHBondContact O-N 3.09Å; A340-V355 HydrophobicContact CB-CB 3.66Å; A340-V355 HydrophobicContact CB-CG1 3.7Å; A340-V355 HydrophobicContact CB-CG2 4.43Å; A340-N357 HydrophobicContact CB-CB 4.48Å; A340-N357 PolarHBondContact N-ND2 2.98Å; A340-T377 HydrophobicContact CB-CG2 3.99Å
341	K	67	Low	74.4	Confident	196 Å²	196	84.8 Å²	84.8	85%	0.852	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-68.2	121.6	170.6	-67.8	-176.3	-179.7	-179.7	0	107.4	V339 C343	V339-K341 PolarHBondContact O-N 3.33Å; K341-C343 PolarHBondContact O-N 2.9Å
342	L	60.6	Low	72.5	Confident	100 Å²	100	86.2 Å²	86.2	52%	0.524	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-60.7	121.3	172.9	-67.4	160.4	0	0	0	107.6	A340 I352	A340-L342 PolarHBondContact O-N 3.09Å; L342-I352 HydrophobicContact CB-CG2 3.8Å; L342-I352 HydrophobicContact CD1-CG2 4.05Å; L342-I352 HydrophobicContact CD2-CG2 3.55Å; L342-I352 HydrophobicContact CG-CG2 3.97Å
343	C	55.5	Low	70.7	Confident	97 Å²	97	91.4 Å²	91.4	66%	0.655	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-62.6	130.3	170.2	-72.8	0	0	0	0	107.9	K341	K341-C343 PolarHBondContact O-N 2.9Å
344	P	54.5	Low	69.1	Low	109 Å²	109	95.4 Å²	95.4	71%	0.708	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-58.4	147.3	172.4	24.4	-32	0	0	0	109.4	S346	P344-S346 PolarHBondContact O-N 3.44Å
345	P	56.1	Low	68	Low	73 Å²	73	93.5 Å²	93.5	47%	0.474	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-57.3	136.2	-177.6	23.2	-30.6	0	0	0	109.9	E349 P350 I352	P345-E349 WeakPolarHBondContact CA-O 3.45Å; P345-P350 WeakPolarHBondContact CB-O 3.16Å; P345-I352 HydrophobicContact CG-CG1 4.3Å
346	S	54.6	Low	67.2	Low	52 Å²	52	91.7 Å²	91.7	36%	0.364	51%	0.507	S	S	.	.	B	Isolated β-bridge	trans	-102.5	161.7	175.7	68.1	0	0	0	0	109.5	P344 S348 E349	P344-S346 PolarHBondContact O-N 3.44Å; S346-S348 PolarHBondContact O-N 2.9Å; S346-S348 VanDerWaalsContact O-N 3.15Å; S346-S348 PolarHBondContact OG-OG 3.44Å; S346-E349 PolarHBondContact N-O 2.97Å; S346-E349 CarbonylContact O-C 3.54Å; S346-E349 PolarHBondContact O-N 2.95Å; S346-E349 VanDerWaalsContact O-O 3.05Å; S346-E349 PolarHBondContact OG-N 3.07Å; S346-E349 VanDerWaalsContact OG-N 3.12Å
347	I	62.2	Low	66.7	Low	182 Å²	182	92.6 Å²	92.6	93%	0.933	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-34	176.4	-63.7	164.7	0	0	0	111.1
348	S	62.5	Low	66.7	Low	105 Å²	105	94.4 Å²	94.4	73%	0.734	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.7	175.4	45.1	0	0	0	0	114.4	S346	S346-S348 PolarHBondContact O-N 2.9Å; S346-S348 VanDerWaalsContact O-N 3.15Å; S346-S348 PolarHBondContact OG-OG 3.44Å
349	E	59.8	Low	66.9	Low	124 Å²	124	91.1 Å²	91.1	58%	0.579	50%	0.497	S	S	*	.	B	Isolated β-bridge	trans	-137	83.4	-178	-65.9	-172.5	167.9	0	0	109.6	P345 S346 F351	P345-E349 WeakPolarHBondContact CA-O 3.45Å; S346-E349 PolarHBondContact N-O 2.97Å; S346-E349 CarbonylContact O-C 3.54Å; S346-E349 PolarHBondContact O-N 2.95Å; S346-E349 VanDerWaalsContact O-O 3.05Å; S346-E349 PolarHBondContact OG-N 3.07Å; S346-E349 VanDerWaalsContact OG-N 3.12Å; E349-F351 PolarHBondContact O-N 3.19Å; E349-F351 VanDerWaalsContact O-N 3.15Å
350	P	54.9	Low	67.4	Low	87 Å²	87	86.1 Å²	86.1	57%	0.565	47%	0.467	S	S	*	.			trans	-70.8	-8.3	-173.7	25.8	-33	0	0	0	113.8	P345	P345-P350 WeakPolarHBondContact CB-O 3.16Å
351	F	57	Low	68.6	Low	165 Å²	165	85.2 Å²	85.2	72%	0.724	46%	0.46	S	S	*	.	S	Bend	trans	-108	129.2	-179.1	-58.5	-77.1	0	0	0	110.9	E349 R353	E349-F351 PolarHBondContact O-N 3.19Å; E349-F351 VanDerWaalsContact O-N 3.15Å; F351-R353 PolarHBondContact O-N 3.41Å
352	I	56.2	Low	70	Confident	94 Å²	94	76.6 Å²	76.6	48%	0.482	42%	0.423	S	S	.	.			trans	-67.5	102.4	168.2	-63.2	171.1	0	0	0	107.6	L342 P345	L342-I352 HydrophobicContact CB-CG2 3.8Å; L342-I352 HydrophobicContact CD1-CG2 4.05Å; L342-I352 HydrophobicContact CD2-CG2 3.55Å; L342-I352 HydrophobicContact CG-CG2 3.97Å; P345-I352 HydrophobicContact CG-CG1 4.3Å
353	R	57.7	Low	71.8	Confident	176 Å²	176	72.2 Å²	72.2	66%	0.664	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-78.8	130.1	172.4	-71.6	-169.6	-177.7	-132.6	1	109.7	F351 V355	F351-R353 PolarHBondContact O-N 3.41Å; R353-V355 PolarHBondContact O-N 2.82Å; R353-V355 VanDerWaalsContact O-N 3.15Å
354	P	62.3	Low	73.8	Confident	109 Å²	109	68.1 Å²	68.1	71%	0.708	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-59.1	119.4	170.4	-17.6	28.9	0	0	0	109.1	A356	P354-A356 PolarHBondContact O-N 3.03Å
355	V	70.9	Confident	75.7	Confident	36 Å²	36	63.2 Å²	63.2	22%	0.218	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-74.9	123.7	176.4	178.9	0	0	0	0	108.2	A340 R353 N357 T377	A340-V355 HydrophobicContact CB-CB 3.66Å; A340-V355 HydrophobicContact CB-CG1 3.7Å; A340-V355 HydrophobicContact CB-CG2 4.43Å; R353-V355 PolarHBondContact O-N 2.82Å; R353-V355 VanDerWaalsContact O-N 3.15Å; V355-N357 PolarHBondContact O-N 2.86Å; V355-T377 HydrophobicContact CG1-CG2 4.13Å
356	A	77.1	Confident	77.4	Confident	21 Å²	21	64.2 Å²	64.2	17%	0.174	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-54.7	122.3	170.8	0	0	0	0	0	109.8	P354 W358 S376	P354-A356 PolarHBondContact O-N 3.03Å; A356-W358 HydrophobicContact CB-CD2 4.08Å; A356-W358 HydrophobicContact CB-CG 4.49Å; A356-W358 HydrophobicContact CB-CH2 4.34Å; A356-W358 HydrophobicContact CB-CZ2 3.7Å; A356-S376 VanDerWaalsContact C-OG 3.27Å; A356-S376 PolarHBondContact O-OG 3.26Å
357	N	87.1	Confident	79.1	Confident	20 Å²	20	62 Å²	62	11%	0.107	32%	0.324	C	S	.	.			trans	-124.6	61.1	-179.1	-160.3	22.6	0	0	0	110.9	N317 P338 V339 A340 V355 S376 T377	N317-N357 VanDerWaalsContact CA-O 3.32Å; N317-N357 WeakPolarHBondContact CA-O 3.15Å; N317-N357 WeakPolarHBondContact CB-O 3.14Å; N317-N357 PolarHBondContact N-O 2.8Å; N317-N357 PolarHBondContact ND2-ND2 3.05Å; P338-N357 PolarHBondContact O-ND2 2.72Å; V339-N357 WeakPolarHBondContact CA-ND2 3.32Å; A340-N357 HydrophobicContact CB-CB 4.48Å; A340-N357 PolarHBondContact N-ND2 2.98Å; V355-N357 PolarHBondContact O-N 2.86Å; N357-S376 WeakPolarHBondContact CA-OG 3.45Å; N357-T377 WeakPolarHBondContact OD1-CG2 3.34Å; N357-T377 PolarHBondContact OD1-OG1 2.78Å
358	W	93.4	Very high	80.6	Confident	38 Å²	38	53.6 Å²	53.6	14%	0.144	28%	0.281	C	S	.	.			trans	-86.9	152.4	-173.4	-50.4	-19	0	0	0	110.1	A356 T360 S375 S376 H441 W446	A356-W358 HydrophobicContact CB-CD2 4.08Å; A356-W358 HydrophobicContact CB-CG 4.49Å; A356-W358 HydrophobicContact CB-CH2 4.34Å; A356-W358 HydrophobicContact CB-CZ2 3.7Å; W358-T360 HydrophobicContact CB-CG2 3.88Å; W358-T360 HydrophobicContact CE3-CG2 4.27Å; W358-T360 PolarHBondContact O-N 3.34Å; W358-S375 CarbonylContact O-C 3.59Å; W358-S375 WeakPolarHBondContact O-CA 3.44Å; W358-S375 WeakPolarHBondContact O-CB 3.31Å; W358-S376 PolarHBondContact N-OG 2.8Å; W358-S376 PolarHBondContact O-N 3.37Å; W358-H441 HydrophobicContact CZ3-CB 4.22Å; W358-H441 AromaticContact CZ3-CE1 3.97Å; W358-H441 AromaticContact CZ3-CG 3.82Å; W358-H441 AromaticContact CZ3-ND1 3.68Å; W358-W446 AromaticContact CH2-CD2 3.66Å; W358-W446 HydrophobicContact CH2-CD2 3.66Å; W358-W446 AromaticContact CH2-CE2 3.87Å; W358-W446 AromaticContact CH2-CE3 3.85Å; W358-W446 HydrophobicContact CH2-CE3 3.85Å; W358-W446 HydrophobicContact CH2-CG 4.03Å; W358-W446 HydrophobicContact CH2-CH2 4.41Å; W358-W446 HydrophobicContact CH2-CZ2 4.25Å; W358-W446 HydrophobicContact CH2-CZ3 4.23Å; W358-W446 HydrophobicContact CZ2-CE3 4.35Å; W358-W446 HydrophobicContact CZ2-CZ3 4.44Å; W358-W446 HydrophobicContact CZ3-CD2 4.44Å; W358-W446 HydrophobicContact CZ3-CG 4.39Å
359	V	96.7	Very high	82.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	97.8	160.6	-172.2	0	0	0	0	107	C301 S314 I319 A336 G374	C301-V359 PolarHBondContact SG-O 2.92Å; C301-V359 VanDerWaalsContact SG-O 3.33Å; S314-V359 PolarHBondContact O-N 2.85Å; I319-V359 HydrophobicContact CD1-CG1 4.48Å; I319-V359 HydrophobicContact CG1-CG1 4.18Å; I319-V359 HydrophobicContact CG1-CG2 4.08Å; A336-V359 HydrophobicContact CB-CG2 3.99Å; V359-G374 CarbonylContact C-O 3.42Å
360	T	96.1	Very high	84	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-21.5	-170.5	46.4	0	0	0	0	113.5	W358 G374 S375 S376 I421	W358-T360 HydrophobicContact CB-CG2 3.88Å; W358-T360 HydrophobicContact CE3-CG2 4.27Å; W358-T360 PolarHBondContact O-N 3.34Å; T360-G374 PolarHBondContact N-O 3.23Å; T360-G374 PolarHBondContact OG1-O 3.4Å; T360-S375 PolarHBondContact OG1-O 3.34Å; T360-S376 PolarHBondContact OG1-N 3.5Å; T360-I421 VanDerWaalsContact CB-O 3.28Å; T360-I421 WeakPolarHBondContact CB-O 3.39Å; T360-I421 PolarHBondContact OG1-O 2.87Å
361	A	97.7	Very high	86	Confident	5 Å²	5	38.9 Å²	38.9	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.8	178.5	0	0	0	0	0	111.3	C301 S373 G374 I421 L424	C301-A361 VanDerWaalsContact SG-C 3.54Å; A361-S373 CarbonylContact O-C 3.44Å; A361-S373 WeakPolarHBondContact O-CA 3.37Å; A361-G374 PolarHBondContact N-O 3.05Å; A361-G374 PolarHBondContact O-N 3Å; A361-I421 HydrophobicContact CB-CG2 4.26Å; A361-L424 HydrophobicContact CB-CB 4.4Å; A361-L424 HydrophobicContact CB-CD1 4Å; A361-L424 HydrophobicContact CB-CG 3.81Å
362	I	98.3	Very high	88	Confident	15 Å²	15	31 Å²	31	8%	0.077	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	137	171.6	-165.3	166.1	0	0	0	109.1	C301 I311 I319 I371 A372	C301-I362 HydrophobicContact CB-CG2 4.02Å; I311-I362 HydrophobicContact CB-CD1 3.88Å; I311-I362 HydrophobicContact CG2-CD1 3.29Å; I319-I362 HydrophobicContact CG2-CD1 4.43Å; I362-I371 HydrophobicContact CD1-CG2 4.24Å; I362-I371 HydrophobicContact CG1-CG2 4.02Å; I362-A372 WeakPolarHBondContact CA-O 3.27Å
363	A	98.1	Very high	90	Very high	9 Å²	9	26.5 Å²	26.5	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.3	176.5	0	0	0	0	0	109.3	I371 A372 L424 F426	A363-I371 CarbonylContact O-C 3.54Å; A363-I371 WeakPolarHBondContact O-CA 3.26Å; A363-A372 PolarHBondContact N-O 2.81Å; A363-A372 PolarHBondContact O-N 2.77Å; A363-A372 VanDerWaalsContact O-O 3.06Å; A363-L424 HydrophobicContact CB-CB 3.68Å; A363-L424 WeakPolarHBondContact CB-O 3.39Å; A363-F426 HydrophobicContact CB-CD2 4.27Å; A363-F426 HydrophobicContact CB-CE2 4.48Å
364	G	97	Very high	91.9	Very high	10 Å²	10	18.1 Å²	18.1	10%	0.103	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.7	169.1	0	0	0	0	0	111.4	Y303 Y366 L370 F426	Y303-G364 VanDerWaalsContact CE1-CA 3.46Å; Y303-G364 PolarHBondContact OH-O 2.84Å; G364-Y366 PolarHBondContact O-N 3.36Å; G364-L370 VanDerWaalsContact CA-O 3.23Å; G364-L370 WeakPolarHBondContact CA-O 3.33Å; G364-F426 VanDerWaalsContact C-CD2 3.41Å
365	L	95.2	Very high	93.5	Very high	7 Å²	7	13 Å²	13	4%	0.037	7%	0.07	C	C	.	.			trans	-77.5	114.4	172.9	174	68.1	0	0	0	108	F96 G367 T368 L370 F426 S427 R430	F96-L365 HydrophobicContact CD1-CD2 3.59Å; F96-L365 HydrophobicContact CE1-CD2 3.6Å; F96-L365 HydrophobicContact CG-CD2 4.38Å; F96-L365 HydrophobicContact CZ-CD2 4.42Å; L365-G367 PolarHBondContact O-N 2.8Å; L365-T368 WeakPolarHBondContact CB-OG1 3.31Å; L365-T368 HydrophobicContact CD2-CG2 3.78Å; L365-T368 HydrophobicContact CG-CG2 3.93Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 PolarHBondContact O-OG1 2.79Å; L365-L370 HydrophobicContact CB-CB 4.32Å; L365-L370 HydrophobicContact CB-CD2 4.27Å; L365-L370 HydrophobicContact CD2-CD2 4.35Å; L365-L370 PolarHBondContact N-O 3.2Å; L365-F426 HydrophobicContact CB-CB 4.17Å; L365-F426 HydrophobicContact CB-CD1 4.15Å; L365-F426 HydrophobicContact CB-CD2 4.3Å; L365-F426 HydrophobicContact CB-CG 3.95Å; L365-F426 HydrophobicContact CD1-CB 3.98Å; L365-S427 WeakPolarHBondContact CD1-O 3.47Å; L365-R430 HydrophobicContact CD1-CG 4.3Å; L365-R430 HydrophobicContact CD2-CB 4.4Å; L365-R430 HydrophobicContact CD2-CG 3.85Å
366	Y	90.9	Very high	94.5	Very high	93 Å²	93	11.3 Å²	11.3	37%	0.365	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	134.2	-172.6	-179.7	-100.8	0	0	0	112.5	V261 G364 T368	V261-Y366 WeakPolarHBondContact CG2-OH 3.35Å; G364-Y366 PolarHBondContact O-N 3.36Å; Y366-T368 PolarHBondContact O-N 3.2Å
367	G	89.7	Confident	95.2	Very high	7 Å²	7	11.7 Å²	11.7	7%	0.072	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	11.1	-179.3	0	0	0	0	0	114.7	L93 A94 L365	L93-G367 WeakPolarHBondContact CA-O 3.39Å; A94-G367 PolarHBondContact N-O 2.85Å; L365-G367 PolarHBondContact O-N 2.8Å
368	T	94.3	Very high	95.4	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.025	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-129	166.7	178.4	76.9	0	0	0	0	112.7	L93 A94 F96 L365 Y366 L370	L93-T368 WeakPolarHBondContact CD1-O 3.23Å; A94-T368 CarbonylContact O-C 3.59Å; A94-T368 VanDerWaalsContact O-CA 3.3Å; A94-T368 WeakPolarHBondContact O-CA 3.29Å; F96-T368 HydrophobicContact CB-CG2 3.9Å; F96-T368 HydrophobicContact CG-CG2 4.32Å; L365-T368 WeakPolarHBondContact CB-OG1 3.31Å; L365-T368 HydrophobicContact CD2-CG2 3.78Å; L365-T368 HydrophobicContact CG-CG2 3.93Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 PolarHBondContact O-OG1 2.79Å; Y366-T368 PolarHBondContact O-N 3.2Å; T368-L370 VanDerWaalsContact C-N 3.26Å; T368-L370 PolarHBondContact O-N 3.23Å; T368-L370 PolarHBondContact OG1-N 3.28Å
369	D	95.7	Very high	95.5	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.027	6%	0.059	C	C	.	.	S	Bend	trans	-79.2	2	174.1	65.8	-18.2	0	0	0	114.6	L93 A94 F96 A97 R384 L385	L93-D369 HydrophobicContact CD2-CB 4.35Å; L93-D369 HydrophobicContact CG-CB 4.5Å; A94-D369 PolarHBondContact O-N 3.43Å; F96-D369 PolarHBondContact N-OD1 3.05Å; A97-D369 WeakPolarHBondContact CB-OD1 3.47Å; A97-D369 PolarHBondContact N-OD1 2.85Å; D369-R384 HydrophobicContact CB-CG 4.44Å; D369-R384 CarbonylContact O-C 3.58Å; D369-R384 WeakPolarHBondContact O-CA 3.5Å; D369-R384 WeakPolarHBondContact OD2-CG 3.2Å; D369-L385 HydrophobicContact CB-CB 4.05Å; D369-L385 PolarHBondContact O-N 3.14Å
370	L	97.1	Very high	95.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.6	-178.1	-177.5	69.9	0	0	0	112.3	F96 A97 I100 G364 L365 T368 F382 I410 F426	F96-L370 HydrophobicContact CD1-CB 4.27Å; F96-L370 HydrophobicContact CD1-CD2 4.11Å; F96-L370 HydrophobicContact CE1-CD2 4.08Å; A97-L370 HydrophobicContact CB-CB 4.4Å; A97-L370 HydrophobicContact CB-CD1 4.14Å; I100-L370 HydrophobicContact CD1-CD1 3.51Å; I100-L370 HydrophobicContact CD1-CD2 3.2Å; I100-L370 HydrophobicContact CD1-CG 3.94Å; G364-L370 VanDerWaalsContact CA-O 3.23Å; G364-L370 WeakPolarHBondContact CA-O 3.33Å; L365-L370 HydrophobicContact CB-CB 4.32Å; L365-L370 HydrophobicContact CB-CD2 4.27Å; L365-L370 HydrophobicContact CD2-CD2 4.35Å; L365-L370 PolarHBondContact N-O 3.2Å; T368-L370 VanDerWaalsContact C-N 3.26Å; T368-L370 PolarHBondContact O-N 3.23Å; T368-L370 PolarHBondContact OG1-N 3.28Å; L370-F382 HydrophobicContact CD1-CD1 3.95Å; L370-I410 HydrophobicContact CD1-CD1 3.89Å; L370-F426 HydrophobicContact CD2-CD1 4.28Å; L370-F426 HydrophobicContact CD2-CE1 3.52Å; L370-F426 HydrophobicContact CD2-CZ 3.86Å; L370-F426 HydrophobicContact CG-CE1 4.24Å; L370-F426 HydrophobicContact CG-CZ 4.05Å
371	I	98	Very high	95.5	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.7	177.5	-62.8	144.5	0	0	0	109.3	Y303 V305 I311 I362 A363 F382 W383 L385 I407	Y303-I371 HydrophobicContact CE1-CG1 4.46Å; V305-I371 HydrophobicContact CG2-CD1 4.47Å; I311-I371 HydrophobicContact CD1-CD1 3.26Å; I311-I371 HydrophobicContact CD1-CG1 4.07Å; I362-I371 HydrophobicContact CD1-CG2 4.24Å; I362-I371 HydrophobicContact CG1-CG2 4.02Å; A363-I371 CarbonylContact O-C 3.54Å; A363-I371 WeakPolarHBondContact O-CA 3.26Å; I371-F382 CarbonylContact O-C 3.59Å; I371-F382 WeakPolarHBondContact O-CA 3.38Å; I371-W383 HydrophobicContact CB-CB 4.18Å; I371-W383 PolarHBondContact N-O 2.62Å; I371-W383 PolarHBondContact O-N 2.95Å; I371-L385 HydrophobicContact CD1-CB 3.9Å; I371-L385 HydrophobicContact CD1-CD1 4.11Å; I371-I407 HydrophobicContact CD1-CG2 3.96Å
372	A	98.2	Very high	95.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.6	168.8	0	0	0	0	0	110.1	I362 A363 Q381 F382 L424 F426 L433	I362-A372 WeakPolarHBondContact CA-O 3.27Å; A363-A372 PolarHBondContact N-O 2.81Å; A363-A372 PolarHBondContact O-N 2.77Å; A363-A372 VanDerWaalsContact O-O 3.06Å; A372-Q381 CarbonylContact C-O 3.53Å; A372-Q381 WeakPolarHBondContact CA-O 3.37Å; A372-F382 HydrophobicContact CB-CD1 4.19Å; A372-F382 HydrophobicContact CB-CE1 4.18Å; A372-L424 HydrophobicContact CB-CD1 4.26Å; A372-F426 HydrophobicContact CB-CE2 3.78Å; A372-F426 HydrophobicContact CB-CZ 3.69Å; A372-L433 HydrophobicContact CB-CD1 4.35Å; A372-L433 HydrophobicContact CB-CD2 3.76Å
373	S	98.4	Very high	95.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.3	169.9	70.6	0	0	0	0	110.5	H337 A361 I380 Q381 W383	H337-S373 PolarHBondContact CE1-O 2.95Å; H337-S373 PolarHBondContact CE1-OG 3.32Å; H337-S373 PolarHBondContact NE2-OG 3.36Å; A361-S373 CarbonylContact O-C 3.44Å; A361-S373 WeakPolarHBondContact O-CA 3.37Å; S373-I380 CarbonylContact O-C 3.59Å; S373-I380 VanDerWaalsContact O-CA 3.26Å; S373-I380 WeakPolarHBondContact O-CA 3.29Å; S373-Q381 PolarHBondContact N-O 2.84Å; S373-Q381 PolarHBondContact O-N 3.24Å; S373-W383 PolarHBondContact OG-NE1 2.89Å
374	G	97.3	Very high	95.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.1	178.1	0	0	0	0	0	110.9	V359 T360 A361 H379	V359-G374 CarbonylContact C-O 3.42Å; T360-G374 PolarHBondContact N-O 3.23Å; T360-G374 PolarHBondContact OG1-O 3.4Å; A361-G374 PolarHBondContact N-O 3.05Å; A361-G374 PolarHBondContact O-N 3Å; G374-H379 CarbonylContact C-O 3.59Å; G374-H379 WeakPolarHBondContact CA-O 3.29Å
375	S	95.7	Very high	95.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	164.8	-179.2	74.1	0	0	0	0	114.3	W358 T360 T377 G378 H379 I421	W358-S375 CarbonylContact O-C 3.59Å; W358-S375 WeakPolarHBondContact O-CA 3.44Å; W358-S375 WeakPolarHBondContact O-CB 3.31Å; T360-S375 PolarHBondContact OG1-O 3.34Å; S375-T377 PolarHBondContact O-N 2.86Å; S375-T377 PolarHBondContact OG-N 2.67Å; S375-T377 PolarHBondContact OG-OG1 3.39Å; S375-G378 PolarHBondContact O-N 2.79Å; S375-G378 PolarHBondContact OG-N 3.28Å; S375-H379 PolarHBondContact N-O 3.07Å; S375-H379 WeakPolarHBondContact OG-CB 3.42Å; S375-H379 PolarHBondContact OG-N 3.36Å; S375-H379 PolarHBondContact OG-O 2.83Å; S375-I421 WeakPolarHBondContact O-CG1 3.49Å; S375-I421 PolarHBondContact O-N 2.75Å; S375-I421 VanDerWaalsContact O-N 3.14Å
376	S	93.5	Very high	95.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.8	167.9	55.7	0	0	0	0	113.7	A356 N357 W358 T360	A356-S376 VanDerWaalsContact C-OG 3.27Å; A356-S376 PolarHBondContact O-OG 3.26Å; N357-S376 WeakPolarHBondContact CA-OG 3.45Å; W358-S376 PolarHBondContact N-OG 2.8Å; W358-S376 PolarHBondContact O-N 3.37Å; T360-S376 PolarHBondContact OG1-N 3.5Å
377	T	90.9	Very high	95.2	Very high	29 Å²	29	15.3 Å²	15.3	18%	0.178	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.1	178.5	48.6	0	0	0	0	113.3	A340 V355 N357 S375 G419	A340-T377 HydrophobicContact CB-CG2 3.99Å; V355-T377 HydrophobicContact CG1-CG2 4.13Å; N357-T377 WeakPolarHBondContact OD1-CG2 3.34Å; N357-T377 PolarHBondContact OD1-OG1 2.78Å; S375-T377 PolarHBondContact O-N 2.86Å; S375-T377 PolarHBondContact OG-N 2.67Å; S375-T377 PolarHBondContact OG-OG1 3.39Å; T377-G419 CarbonylContact C-O 3.58Å
378	G	92	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	88.8	13.6	174.5	0	0	0	0	0	113.2	S375 L417 G419	S375-G378 PolarHBondContact O-N 2.79Å; S375-G378 PolarHBondContact OG-N 3.28Å; G378-L417 PolarHBondContact O-N 3.5Å; G378-G419 WeakPolarHBondContact CA-O 2.99Å; G378-G419 PolarHBondContact N-O 3.28Å
379	H	94.5	Very high	93.6	Very high	45 Å²	45	23.3 Å²	23.3	21%	0.208	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133	174.5	-74.8	-79	0	0	0	110.2	H337 G374 S375 I415 S416	H337-H379 HydrophobicContact CB-CB 4.49Å; H337-H379 PolarHBondContact CE1-O 3.09Å; H337-H379 PolarHBondContact ND1-O 2.99Å; G374-H379 CarbonylContact C-O 3.59Å; G374-H379 WeakPolarHBondContact CA-O 3.29Å; S375-H379 PolarHBondContact N-O 3.07Å; S375-H379 WeakPolarHBondContact OG-CB 3.42Å; S375-H379 PolarHBondContact OG-N 3.36Å; S375-H379 PolarHBondContact OG-O 2.83Å; H379-I415 CarbonylContact C-O 3.56Å; H379-I415 WeakPolarHBondContact CA-O 3.43Å; H379-S416 PolarHBondContact CE1-OG 2.61Å
380	I	96.3	Very high	92.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.6	169.3	-60.1	171	0	0	0	107.5	S373 F382 N414 I415 L417 I421 L433 V435 I459	S373-I380 CarbonylContact O-C 3.59Å; S373-I380 VanDerWaalsContact O-CA 3.26Å; S373-I380 WeakPolarHBondContact O-CA 3.29Å; I380-F382 HydrophobicContact CG2-CD2 4.4Å; I380-F382 HydrophobicContact CG2-CE2 3.99Å; I380-N414 VanDerWaalsContact O-CA 3.28Å; I380-N414 WeakPolarHBondContact O-CA 3.37Å; I380-N414 WeakPolarHBondContact O-CB 3.38Å; I380-I415 PolarHBondContact N-O 3.09Å; I380-I415 PolarHBondContact O-N 3.32Å; I380-L417 HydrophobicContact CD1-CD1 3.55Å; I380-L417 HydrophobicContact CG1-CD1 4.49Å; I380-I421 HydrophobicContact CD1-CD1 4.21Å; I380-I421 HydrophobicContact CG1-CD1 4.14Å; I380-I421 HydrophobicContact CG1-CG1 4.08Å; I380-L433 HydrophobicContact CG2-CD2 4.15Å; I380-V435 HydrophobicContact CD1-CB 4.3Å; I380-V435 HydrophobicContact CD1-CG1 3.67Å; I380-V435 HydrophobicContact CD1-CG2 3.65Å; I380-I459 HydrophobicContact CD1-CD1 3.68Å
381	Q	96.6	Very high	90.2	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133	178.5	-179.4	60.5	61.8	0	0	109.1	A372 S373 W383 R409 L413	A372-Q381 CarbonylContact C-O 3.53Å; A372-Q381 WeakPolarHBondContact CA-O 3.37Å; S373-Q381 PolarHBondContact N-O 2.84Å; S373-Q381 PolarHBondContact O-N 3.24Å; Q381-W383 HydrophobicContact CB-CZ2 3.86Å; Q381-W383 HydrophobicContact CG-CD2 4.02Å; Q381-W383 VanDerWaalsContact CG-CE2 3.41Å; Q381-W383 HydrophobicContact CG-CH2 4.02Å; Q381-W383 HydrophobicContact CG-CZ2 3.4Å; Q381-W383 VanDerWaalsContact CG-CZ2 3.4Å; Q381-W383 PolarHBondContact O-NE1 3.4Å; Q381-W383 VanDerWaalsContact O-NE1 3.09Å; Q381-R409 HydrophobicContact CG-CG 4.39Å; Q381-L413 PolarHBondContact NE2-O 3.39Å
382	F	97.4	Very high	88.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.3	171.2	-71.7	-103.1	0	0	0	110.9	L103 L370 I371 A372 I380 I410 L413 F426 L433 L461	L103-F382 HydrophobicContact CD1-CD2 3.63Å; L103-F382 HydrophobicContact CD1-CE2 3.25Å; L103-F382 HydrophobicContact CD1-CZ 3.95Å; L103-F382 HydrophobicContact CD2-CZ 4.42Å; L103-F382 HydrophobicContact CG-CE2 4.48Å; L370-F382 HydrophobicContact CD1-CD1 3.95Å; I371-F382 CarbonylContact O-C 3.59Å; I371-F382 WeakPolarHBondContact O-CA 3.38Å; A372-F382 HydrophobicContact CB-CD1 4.19Å; A372-F382 HydrophobicContact CB-CE1 4.18Å; I380-F382 HydrophobicContact CG2-CD2 4.4Å; I380-F382 HydrophobicContact CG2-CE2 3.99Å; F382-I410 HydrophobicContact CB-CD1 4.2Å; F382-I410 PolarHBondContact O-N 2.83Å; F382-I410 VanDerWaalsContact O-N 3.09Å; F382-L413 HydrophobicContact CB-CB 3.83Å; F382-L413 HydrophobicContact CB-CD1 4.33Å; F382-L413 HydrophobicContact CD2-CB 4.19Å; F382-L413 HydrophobicContact CG-CB 4.21Å; F382-L413 PolarHBondContact N-O 3.14Å; F382-F426 HydrophobicContact CD1-CZ 4.31Å; F382-F426 AromaticContact CE1-CE1 3.96Å; F382-F426 HydrophobicContact CE1-CE1 3.96Å; F382-F426 AromaticContact CE1-CZ 3.84Å; F382-F426 HydrophobicContact CE1-CZ 3.84Å; F382-L433 HydrophobicContact CE1-CD2 4Å; F382-L433 HydrophobicContact CE2-CD2 4.07Å; F382-L433 HydrophobicContact CZ-CB 4.39Å; F382-L433 HydrophobicContact CZ-CD2 3.4Å; F382-L433 VanDerWaalsContact CZ-CD2 3.4Å; F382-L461 HydrophobicContact CE1-CD2 3.84Å; F382-L461 HydrophobicContact CZ-CD2 4.03Å
383	W	97.9	Very high	85.7	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.5	-174.4	-44.9	82.9	0	0	0	109.8	I319 V333 A336 I371 S373 Q381 I407 E408 R409	I319-W383 HydrophobicContact CD1-CH2 4.16Å; I319-W383 HydrophobicContact CD1-CZ2 3.54Å; V333-W383 HydrophobicContact CG1-CH2 4.14Å; V333-W383 HydrophobicContact CG1-CZ3 4.03Å; A336-W383 HydrophobicContact CB-CH2 4.19Å; A336-W383 HydrophobicContact CB-CZ2 4.25Å; A336-W383 VanDerWaalsContact O-CH2 3.29Å; A336-W383 WeakPolarHBondContact O-CH2 3.2Å; I371-W383 HydrophobicContact CB-CB 4.18Å; I371-W383 PolarHBondContact N-O 2.62Å; I371-W383 PolarHBondContact O-N 2.95Å; S373-W383 PolarHBondContact OG-NE1 2.89Å; Q381-W383 HydrophobicContact CB-CZ2 3.86Å; Q381-W383 HydrophobicContact CG-CD2 4.02Å; Q381-W383 VanDerWaalsContact CG-CE2 3.41Å; Q381-W383 HydrophobicContact CG-CH2 4.02Å; Q381-W383 HydrophobicContact CG-CZ2 3.4Å; Q381-W383 VanDerWaalsContact CG-CZ2 3.4Å; Q381-W383 PolarHBondContact O-NE1 3.4Å; Q381-W383 VanDerWaalsContact O-NE1 3.09Å; W383-I407 HydrophobicContact CB-CB 4.34Å; W383-I407 HydrophobicContact CD2-CD1 4.06Å; W383-I407 HydrophobicContact CE3-CD1 3.81Å; W383-I407 HydrophobicContact CE3-CG1 4.14Å; W383-I407 HydrophobicContact CG-CD1 4.44Å; W383-I407 HydrophobicContact CZ3-CD1 4.27Å; W383-E408 CarbonylContact C-O 3.58Å; W383-E408 VanDerWaalsContact CA-O 3.24Å; W383-E408 WeakPolarHBondContact CA-O 3.5Å; W383-R409 HydrophobicContact CE3-CB 4.47Å; W383-R409 HydrophobicContact CE3-CG 3.66Å; W383-R409 HydrophobicContact CH2-CG 3.89Å; W383-R409 HydrophobicContact CZ3-CB 4.48Å; W383-R409 HydrophobicContact CZ3-CG 3.27Å
384	R	96.3	Very high	83.8	Confident	91 Å²	91	55.2 Å²	55.2	34%	0.343	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.5	168.5	-179.9	178.7	80	166.8	8.3	109.1	A97 D369 V386 I407 E408 I410	A97-R384 HydrophobicContact CB-CB 3.92Å; A97-R384 HydrophobicContact CB-CG 3.79Å; D369-R384 HydrophobicContact CB-CG 4.44Å; D369-R384 CarbonylContact O-C 3.58Å; D369-R384 WeakPolarHBondContact O-CA 3.5Å; D369-R384 WeakPolarHBondContact OD2-CG 3.2Å; R384-V386 HydrophobicContact CG-CG2 4.28Å; R384-I407 CarbonylContact O-C 3.54Å; R384-I407 VanDerWaalsContact O-CA 3.26Å; R384-I407 WeakPolarHBondContact O-CA 3.1Å; R384-E408 IonicContact CZ-OE2 3.97Å; R384-E408 PolarHBondContact N-O 3.29Å; R384-E408 IonicContact NE-OE2 3.51Å; R384-E408 PolarHBondContact NE-OE2 2.93Å; R384-E408 IonicContact NH2-OE1 3.78Å; R384-E408 IonicContact NH2-OE2 3.13Å; R384-E408 PolarHBondContact NH2-OE2 3.46Å; R384-E408 PolarHBondContact O-N 3.45Å; R384-I410 HydrophobicContact CB-CD1 4.37Å; R384-I410 HydrophobicContact CB-CG1 4.13Å
385	L	96.6	Very high	82.1	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.3	167.6	-166	73	0	0	0	110.1	L93 V305 I309 I311 I321 D369 I371 V405 I407	L93-L385 HydrophobicContact CD1-CD2 4.13Å; L93-L385 HydrophobicContact CD2-CD2 3.93Å; V305-L385 HydrophobicContact CB-CD2 4.39Å; V305-L385 HydrophobicContact CG1-CD2 3.64Å; V305-L385 HydrophobicContact CG2-CD2 4.1Å; I309-L385 HydrophobicContact CD1-CD2 4.46Å; I311-L385 HydrophobicContact CD1-CD1 4.14Å; I321-L385 HydrophobicContact CD1-CD1 4.4Å; D369-L385 HydrophobicContact CB-CB 4.05Å; D369-L385 PolarHBondContact O-N 3.14Å; I371-L385 HydrophobicContact CD1-CB 3.9Å; I371-L385 HydrophobicContact CD1-CD1 4.11Å; L385-V405 HydrophobicContact CD1-CG1 3.59Å; L385-V405 HydrophobicContact CG-CG1 4.15Å; L385-I407 HydrophobicContact CD1-CG2 3.75Å
386	V	94.5	Very high	80.3	Confident	34 Å²	34	68.8 Å²	68.8	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.5	178.8	-177.5	0	0	0	0	109.4	R384 S406 E408	R384-V386 HydrophobicContact CG-CG2 4.28Å; V386-S406 PolarHBondContact N-O 2.91Å; V386-S406 PolarHBondContact O-N 2.88Å; V386-E408 HydrophobicContact CG2-CB 4.39Å; V386-E408 HydrophobicContact CG2-CG 3.87Å; V386-E408 WeakPolarHBondContact CG2-OE2 3.41Å
387	Q	87.9	Confident	78.8	Confident	77 Å²	77	75 Å²	75	36%	0.36	37%	0.365	S	S	.	.			trans	-124	141.8	173.7	-59.4	-177.5	8.9	0	0	108.7	V405	Q387-V405 HydrophobicContact CG-CG1 4.37Å; Q387-V405 HydrophobicContact CG-CG2 4.36Å
388	P	80.7	Confident	77.5	Confident	42 Å²	42	74.6 Å²	74.6	27%	0.273	36%	0.362	S	S	.	.			trans	-62.7	142.1	174.9	25.2	-34.3	0	0	0	110	L390 L401 Q404	P388-L390 PolarHBondContact O-N 3.17Å; P388-L390 VanDerWaalsContact O-N 3.15Å; P388-L401 HydrophobicContact CG-CB 4.24Å; P388-L401 WeakPolarHBondContact CG-O 3.46Å; P388-Q404 WeakPolarHBondContact CD-O 3.46Å; P388-Q404 HydrophobicContact CG-CB 4.15Å
389	L	70.4	Confident	76.1	Confident	136 Å²	136	81.1 Å²	81.1	71%	0.712	39%	0.393	S	S	*	.			trans	-64.9	115	168	-72.6	162.1	0	0	0	107.9	E391	L389-E391 PolarHBondContact O-N 3.32Å; L389-E391 VanDerWaalsContact O-N 3.15Å
390	L	65.2	Low	74.8	Confident	75 Å²	75	85.4 Å²	85.4	39%	0.393	41%	0.413	S	S	.	.			trans	-82.1	89.8	172.6	-61.5	168.8	0	0	0	107.6	P388 V398 L401 R402	P388-L390 PolarHBondContact O-N 3.17Å; P388-L390 VanDerWaalsContact O-N 3.15Å; L390-V398 HydrophobicContact CD1-CG1 4.46Å; L390-V398 HydrophobicContact CD2-CG1 4.14Å; L390-L401 HydrophobicContact CD2-CB 3.65Å; L390-R402 HydrophobicContact CD1-CG 3.43Å; L390-R402 VanDerWaalsContact CD1-CG 3.43Å; L390-R402 HydrophobicContact CD2-CG 4.04Å; L390-R402 HydrophobicContact CG-CG 4.37Å
391	E	56.5	Low	73.5	Confident	151 Å²	151	87.9 Å²	87.9	71%	0.706	43%	0.426	S	S	*	.			trans	-65	151.5	164.8	-69.7	-179.4	179.7	0	0	109.8	L389 S393	L389-E391 PolarHBondContact O-N 3.32Å; L389-E391 VanDerWaalsContact O-N 3.15Å; E391-S393 PolarHBondContact O-N 3.49Å
392	R	55.8	Low	72.1	Confident	266 Å²	266	93.7 Å²	93.7	100%	1.004	45%	0.447	S	S	*	.	S	Bend	trans	-63.6	77.7	171.8	-83.7	-179.1	172.3	169.9	-2.3	109.4
393	S	44.6	Very low	71.1	Confident	62 Å²	62	94.4 Å²	94.4	43%	0.434	45%	0.452	S	S	.	.			trans	-135.2	164.2	168.8	65.9	0	0	0	0	109.6	E391 V398	E391-S393 PolarHBondContact O-N 3.49Å; S393-V398 WeakPolarHBondContact O-CG2 3.44Å
394	N	58.8	Low	70.5	Confident	123 Å²	123	99.9 Å²	99.9	66%	0.658	48%	0.477	S	S	*	.			trans	-23.4	124.4	-169.6	-62	-8.9	0	0	0	116.5	V396 K397 V398	N394-V396 PolarHBondContact O-N 3.23Å; N394-K397 PolarHBondContact O-N 2.71Å; N394-V398 PolarHBondContact O-N 2.94Å
395	E	61.4	Low	70.4	Confident	173 Å²	173	95.8 Å²	95.8	81%	0.808	46%	0.462	S	S	*	.	H	α-helix	trans	-50.7	-35.7	-174.1	-63.2	-168.5	145	0	0	114.9	V398 Q399	E395-V398 WeakPolarHBondContact O-CB 3.35Å; E395-V398 PolarHBondContact O-N 2.63Å; E395-Q399 PolarHBondContact O-N 2.74Å
396	V	59.1	Low	70.3	Confident	113 Å²	113	96.8 Å²	96.8	69%	0.685	47%	0.47	S	S	*	.	H	α-helix	trans	-66.9	-41.6	-179.6	-178.1	0	0	0	0	111.4	N394 V398 Q399 Q400	N394-V396 PolarHBondContact O-N 3.23Å; V396-V398 VanDerWaalsContact C-N 3.31Å; V396-Q399 PolarHBondContact O-N 3.31Å; V396-Q400 PolarHBondContact O-N 3.12Å
397	K	61	Low	70.4	Confident	133 Å²	133	95.5 Å²	95.5	58%	0.578	46%	0.462	S	S	*	.	H	α-helix	trans	-66.1	-38.6	174.1	-76.7	-175.9	174.8	179.9	0	110.2	N394 Q399 Q400 L401	N394-K397 PolarHBondContact O-N 2.71Å; K397-Q399 VanDerWaalsContact C-N 3.34Å; K397-Q399 PolarHBondContact O-N 3.07Å; K397-Q400 PolarHBondContact O-N 2.91Å; K397-L401 HydrophobicContact CB-CD1 4.42Å; K397-L401 WeakPolarHBondContact O-CB 3.33Å; K397-L401 WeakPolarHBondContact O-CD1 3.27Å; K397-L401 WeakPolarHBondContact O-CG 3.35Å; K397-L401 PolarHBondContact O-N 3.35Å
398	V	63.4	Low	70.8	Confident	19 Å²	19	96 Å²	96	12%	0.115	46%	0.464	C	S	.	.	H	α-helix	trans	-59.1	-41.3	178	170.2	0	0	0	0	112.1	L390 S393 N394 E395 V396 L401 R402	L390-V398 HydrophobicContact CD1-CG1 4.46Å; L390-V398 HydrophobicContact CD2-CG1 4.14Å; S393-V398 WeakPolarHBondContact O-CG2 3.44Å; N394-V398 PolarHBondContact O-N 2.94Å; E395-V398 WeakPolarHBondContact O-CB 3.35Å; E395-V398 PolarHBondContact O-N 2.63Å; V396-V398 VanDerWaalsContact C-N 3.31Å; V398-L401 PolarHBondContact O-N 2.64Å; V398-R402 HydrophobicContact CG1-CG 4.44Å; V398-R402 WeakPolarHBondContact O-CB 3.35Å; V398-R402 VanDerWaalsContact O-CG 3.26Å; V398-R402 WeakPolarHBondContact O-CG 3.22Å; V398-R402 PolarHBondContact O-N 3.31Å
399	Q	63.1	Low	71.5	Confident	138 Å²	138	99.7 Å²	99.7	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-68.6	-39.7	-179.5	-165.2	174.7	22.6	0	0	112.8	E395 V396 K397	E395-Q399 PolarHBondContact O-N 2.74Å; V396-Q399 PolarHBondContact O-N 3.31Å; K397-Q399 VanDerWaalsContact C-N 3.34Å; K397-Q399 PolarHBondContact O-N 3.07Å
400	Q	67.5	Low	72.7	Confident	134 Å²	134	94.3 Å²	94.3	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-65.6	-45.4	175.2	-70.7	-175.8	-10.3	0	0	111.1	V396 K397 R402 T403	V396-Q400 PolarHBondContact O-N 3.12Å; K397-Q400 PolarHBondContact O-N 2.91Å; Q400-R402 VanDerWaalsContact C-N 3.35Å; Q400-R402 PolarHBondContact O-N 3.09Å; Q400-T403 PolarHBondContact O-N 3.43Å; Q400-T403 PolarHBondContact O-OG1 3.19Å
401	L	68.4	Low	73.8	Confident	53 Å²	53	96.3 Å²	96.3	28%	0.277	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-39.2	177.8	-70.6	166.9	0	0	0	112.1	P388 L390 K397 V398 T403 Q404	P388-L401 HydrophobicContact CG-CB 4.24Å; P388-L401 WeakPolarHBondContact CG-O 3.46Å; L390-L401 HydrophobicContact CD2-CB 3.65Å; K397-L401 HydrophobicContact CB-CD1 4.42Å; K397-L401 WeakPolarHBondContact O-CB 3.33Å; K397-L401 WeakPolarHBondContact O-CD1 3.27Å; K397-L401 WeakPolarHBondContact O-CG 3.35Å; K397-L401 PolarHBondContact O-N 3.35Å; V398-L401 PolarHBondContact O-N 2.64Å; L401-T403 PolarHBondContact O-N 3.29Å; L401-Q404 WeakPolarHBondContact O-CB 3.23Å; L401-Q404 PolarHBondContact O-N 2.79Å
402	R	68.9	Low	75.3	Confident	140 Å²	140	92.1 Å²	92.1	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-55.1	-29.6	176.6	-84.4	174.7	-173.6	177.3	8.1	113.9	L390 V398 Q400	L390-R402 HydrophobicContact CD1-CG 3.43Å; L390-R402 VanDerWaalsContact CD1-CG 3.43Å; L390-R402 HydrophobicContact CD2-CG 4.04Å; L390-R402 HydrophobicContact CG-CG 4.37Å; V398-R402 HydrophobicContact CG1-CG 4.44Å; V398-R402 WeakPolarHBondContact O-CB 3.35Å; V398-R402 VanDerWaalsContact O-CG 3.26Å; V398-R402 WeakPolarHBondContact O-CG 3.22Å; V398-R402 PolarHBondContact O-N 3.31Å; Q400-R402 VanDerWaalsContact C-N 3.35Å; Q400-R402 PolarHBondContact O-N 3.09Å
403	T	76	Confident	77.1	Confident	15 Å²	15	79.4 Å²	79.4	9%	0.092	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.6	179.7	65.9	0	0	0	0	114.1	S325 R326 Q400 L401 V405	S325-T403 WeakPolarHBondContact OG-CG2 3.43Å; R326-T403 HydrophobicContact CG-CG2 4.19Å; R326-T403 PolarHBondContact NH1-OG1 3.11Å; Q400-T403 PolarHBondContact O-N 3.43Å; Q400-T403 PolarHBondContact O-OG1 3.19Å; L401-T403 PolarHBondContact O-N 3.29Å; T403-V405 PolarHBondContact O-N 3.34Å
404	Q	85.2	Confident	79.4	Confident	117 Å²	117	80.8 Å²	80.8	55%	0.547	41%	0.413	S	S	.	.			trans	-81.3	73.7	176.4	-64.3	-177.7	-10.2	0	0	109.7	P388 L401	P388-Q404 WeakPolarHBondContact CD-O 3.46Å; P388-Q404 HydrophobicContact CG-CB 4.15Å; L401-Q404 WeakPolarHBondContact O-CB 3.23Å; L401-Q404 PolarHBondContact O-N 2.79Å
405	V	93.1	Very high	81	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.024	38%	0.384	C	S	.	.			trans	-103.4	132.2	175.8	-176.7	0	0	0	0	108.1	I309 I321 V330 F331 L385 Q387 T403	I309-V405 HydrophobicContact CD1-CG1 4.05Å; I309-V405 HydrophobicContact CD1-CG2 3.77Å; I309-V405 HydrophobicContact CG1-CG2 4.21Å; I309-V405 HydrophobicContact CG2-CG1 4.08Å; I321-V405 HydrophobicContact CD1-CG1 4.47Å; I321-V405 HydrophobicContact CG2-CB 4.42Å; I321-V405 HydrophobicContact CG2-CG1 4.08Å; V330-V405 HydrophobicContact CG2-CB 4.33Å; F331-V405 WeakPolarHBondContact CB-O 3.39Å; L385-V405 HydrophobicContact CD1-CG1 3.59Å; L385-V405 HydrophobicContact CG-CG1 4.15Å; Q387-V405 HydrophobicContact CG-CG1 4.37Å; Q387-V405 HydrophobicContact CG-CG2 4.36Å; T403-V405 PolarHBondContact O-N 3.34Å
406	S	95	Very high	82.5	Confident	28 Å²	28	69.5 Å²	69.5	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	168.3	175.9	60	0	0	0	0	111	V386	V386-S406 PolarHBondContact N-O 2.91Å; V386-S406 PolarHBondContact O-N 2.88Å
407	I	96.8	Very high	84	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.1	167.4	55.8	178	0	0	0	110	I311 I319 I321 F331 V333 I371 W383 R384 L385	I311-I407 HydrophobicContact CD1-CG2 4.32Å; I319-I407 HydrophobicContact CB-CD1 4.3Å; I319-I407 HydrophobicContact CD1-CD1 4.44Å; I319-I407 HydrophobicContact CG2-CD1 3.62Å; I321-I407 HydrophobicContact CD1-CB 4.23Å; I321-I407 HydrophobicContact CD1-CG1 4.07Å; I321-I407 HydrophobicContact CD1-CG2 3.67Å; F331-I407 HydrophobicContact CD1-CG1 4.16Å; F331-I407 HydrophobicContact CE1-CG1 3.84Å; F331-I407 VanDerWaalsContact CE1-N 3.35Å; F331-I407 WeakPolarHBondContact CE1-O 2.88Å; V333-I407 HydrophobicContact CG2-CD1 4.13Å; V333-I407 HydrophobicContact CG2-CG1 3.83Å; I371-I407 HydrophobicContact CD1-CG2 3.96Å; W383-I407 HydrophobicContact CB-CB 4.34Å; W383-I407 HydrophobicContact CD2-CD1 4.06Å; W383-I407 HydrophobicContact CE3-CD1 3.81Å; W383-I407 HydrophobicContact CE3-CG1 4.14Å; W383-I407 HydrophobicContact CG-CD1 4.44Å; W383-I407 HydrophobicContact CZ3-CD1 4.27Å; R384-I407 CarbonylContact O-C 3.54Å; R384-I407 VanDerWaalsContact O-CA 3.26Å; R384-I407 WeakPolarHBondContact O-CA 3.1Å; L385-I407 HydrophobicContact CD1-CG2 3.75Å
408	E	95.9	Very high	85.1	Confident	88 Å²	88	61 Å²	61	41%	0.411	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.1	174.6	-68.8	174.3	172.4	0	0	109.3	W383 R384 V386 I410	W383-E408 CarbonylContact C-O 3.58Å; W383-E408 VanDerWaalsContact CA-O 3.24Å; W383-E408 WeakPolarHBondContact CA-O 3.5Å; R384-E408 IonicContact CZ-OE2 3.97Å; R384-E408 PolarHBondContact N-O 3.29Å; R384-E408 IonicContact NE-OE2 3.51Å; R384-E408 PolarHBondContact NE-OE2 2.93Å; R384-E408 IonicContact NH2-OE1 3.78Å; R384-E408 IonicContact NH2-OE2 3.13Å; R384-E408 PolarHBondContact NH2-OE2 3.46Å; R384-E408 PolarHBondContact O-N 3.45Å; V386-E408 HydrophobicContact CG2-CB 4.39Å; V386-E408 HydrophobicContact CG2-CG 3.87Å; V386-E408 WeakPolarHBondContact CG2-OE2 3.41Å; E408-I410 PolarHBondContact O-N 3.02Å
409	R	95.7	Very high	86.4	Confident	118 Å²	118	60.3 Å²	60.3	45%	0.445	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.2	170.7	-70.9	178.9	173.7	152.6	-0.2	108.8	P335 A336 Q381 W383 P411	P335-R409 PolarHBondContact O-NH2 3.12Å; A336-R409 PolarHBondContact O-NH2 2.82Å; Q381-R409 HydrophobicContact CG-CG 4.39Å; W383-R409 HydrophobicContact CE3-CB 4.47Å; W383-R409 HydrophobicContact CE3-CG 3.66Å; W383-R409 HydrophobicContact CH2-CG 3.89Å; W383-R409 HydrophobicContact CZ3-CB 4.48Å; W383-R409 HydrophobicContact CZ3-CG 3.27Å; R409-P411 VanDerWaalsContact O-CD 3.29Å; R409-P411 WeakPolarHBondContact O-CD 3.25Å
410	I	94.7	Very high	87.8	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.3	170.8	-50.4	175.8	0	0	0	107.7	A97 L370 F382 R384 E408 L413	A97-I410 HydrophobicContact CB-CD1 3.89Å; L370-I410 HydrophobicContact CD1-CD1 3.89Å; F382-I410 HydrophobicContact CB-CD1 4.2Å; F382-I410 PolarHBondContact O-N 2.83Å; F382-I410 VanDerWaalsContact O-N 3.09Å; R384-I410 HydrophobicContact CB-CD1 4.37Å; R384-I410 HydrophobicContact CB-CG1 4.13Å; E408-I410 PolarHBondContact O-N 3.02Å; I410-L413 HydrophobicContact CB-CB 4.21Å; I410-L413 HydrophobicContact CB-CD1 3.86Å; I410-L413 HydrophobicContact CB-CG 4.22Å; I410-L413 HydrophobicContact CD1-CD1 4.03Å; I410-L413 HydrophobicContact CG2-CB 4.3Å; I410-L413 HydrophobicContact CG2-CD1 3.41Å; I410-L413 VanDerWaalsContact CG2-CD1 3.41Å; I410-L413 HydrophobicContact CG2-CG 3.77Å; I410-L413 PolarHBondContact O-N 2.88Å
411	P	89.6	Confident	89.2	Confident	117 Å²	117	47.4 Å²	47.4	76%	0.76	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	140.7	-177.9	-22.3	34.3	0	0	0	111.3	R409 L413	R409-P411 VanDerWaalsContact O-CD 3.29Å; R409-P411 WeakPolarHBondContact O-CD 3.25Å; P411-L413 PolarHBondContact O-N 3.02Å; P411-L413 VanDerWaalsContact O-N 3.09Å
412	G	87.5	Confident	90.6	Very high	63 Å²	63	45 Å²	45	65%	0.649	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	75.7	-16.5	179.1	0	0	0	0	0	115.8	N414	G412-N414 PolarHBondContact O-N 3.28Å
413	L	93.1	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	71	178.1	-57.7	-173.1	0	0	0	111.7	I100 L103 Q381 F382 I410 P411	I100-L413 HydrophobicContact CB-CD1 3.91Å; I100-L413 HydrophobicContact CG2-CD1 3.48Å; I100-L413 VanDerWaalsContact CG2-CD1 3.48Å; I100-L413 HydrophobicContact CG2-CD2 3.95Å; I100-L413 HydrophobicContact CG2-CG 4.41Å; L103-L413 HydrophobicContact CD1-CB 4.22Å; L103-L413 HydrophobicContact CD1-CD2 4.3Å; L103-L413 HydrophobicContact CG-CD2 3.88Å; Q381-L413 PolarHBondContact NE2-O 3.39Å; F382-L413 HydrophobicContact CB-CB 3.83Å; F382-L413 HydrophobicContact CB-CD1 4.33Å; F382-L413 HydrophobicContact CD2-CB 4.19Å; F382-L413 HydrophobicContact CG-CB 4.21Å; F382-L413 PolarHBondContact N-O 3.14Å; I410-L413 HydrophobicContact CB-CB 4.21Å; I410-L413 HydrophobicContact CB-CD1 3.86Å; I410-L413 HydrophobicContact CB-CG 4.22Å; I410-L413 HydrophobicContact CD1-CD1 4.03Å; I410-L413 HydrophobicContact CG2-CB 4.3Å; I410-L413 HydrophobicContact CG2-CD1 3.41Å; I410-L413 VanDerWaalsContact CG2-CD1 3.41Å; I410-L413 HydrophobicContact CG2-CG 3.77Å; I410-L413 PolarHBondContact O-N 2.88Å; P411-L413 PolarHBondContact O-N 3.02Å; P411-L413 VanDerWaalsContact O-N 3.09Å
414	N	93	Very high	93	Very high	90 Å²	90	38.9 Å²	38.9	48%	0.481	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151	169.6	64.8	69.9	0	0	0	110.8	I380 G412	I380-N414 VanDerWaalsContact O-CA 3.28Å; I380-N414 WeakPolarHBondContact O-CA 3.37Å; I380-N414 WeakPolarHBondContact O-CB 3.38Å; G412-N414 PolarHBondContact O-N 3.28Å
415	I	93.6	Very high	93.6	Very high	8 Å²	8	34 Å²	34	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.2	178.2	-50.8	-169.6	0	0	0	108.7	L103 I108 H379 I380 L417 I459	L103-I415 HydrophobicContact CB-CD1 3.87Å; L103-I415 HydrophobicContact CB-CG1 4.27Å; L103-I415 HydrophobicContact CD1-CD1 3.84Å; L103-I415 HydrophobicContact CD1-CG1 3.83Å; L103-I415 HydrophobicContact CG-CD1 4.4Å; I108-I415 HydrophobicContact CD1-CD1 3.9Å; I108-I415 HydrophobicContact CD1-CG2 3.98Å; H379-I415 CarbonylContact C-O 3.56Å; H379-I415 WeakPolarHBondContact CA-O 3.43Å; I380-I415 PolarHBondContact N-O 3.09Å; I380-I415 PolarHBondContact O-N 3.32Å; I415-L417 HydrophobicContact CG2-CD2 3.72Å; I415-L417 HydrophobicContact CG2-CG 3.88Å; I415-I459 HydrophobicContact CD1-CD1 3.76Å; I415-I459 HydrophobicContact CD1-CG1 4.05Å; I415-I459 HydrophobicContact CD1-CG2 3.72Å
416	S	91.9	Very high	93.9	Very high	52 Å²	52	34.9 Å²	34.9	36%	0.364	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.9	168.5	-171	0	0	0	0	109.5	K105 H379	K105-S416 PolarHBondContact NZ-O 3.36Å; H379-S416 PolarHBondContact CE1-OG 2.61Å
417	L	90	Very high	93.9	Very high	41 Å²	41	33.6 Å²	33.6	22%	0.215	20%	0.203	C	C	.	.			trans	-103.2	-23.6	-176.9	-64	169.6	0	0	0	112.6	I108 G378 I380 I415 I421 V435 L437 L457	I108-L417 HydrophobicContact CD1-CD2 3.91Å; G378-L417 PolarHBondContact O-N 3.5Å; I380-L417 HydrophobicContact CD1-CD1 3.55Å; I380-L417 HydrophobicContact CG1-CD1 4.49Å; I415-L417 HydrophobicContact CG2-CD2 3.72Å; I415-L417 HydrophobicContact CG2-CG 3.88Å; L417-I421 HydrophobicContact CD1-CD1 4.13Å; L417-V435 HydrophobicContact CD1-CG1 4.26Å; L417-L437 HydrophobicContact CB-CD1 4.34Å; L417-L457 HydrophobicContact CD1-CD1 3.51Å; L417-L457 HydrophobicContact CD2-CD1 3.98Å; L417-L457 HydrophobicContact CG-CD1 4.21Å
418	G	85.3	Confident	93.6	Very high	25 Å²	25	35.3 Å²	35.3	26%	0.258	22%	0.216	S	C	.	.			trans	73.5	131.1	-170.9	0	0	0	0	0	112.2	L437	G418-L437 WeakPolarHBondContact O-CD1 3.29Å
419	G	89.5	Confident	93.3	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	21%	0.21	C	C	.	.	S	Bend	trans	106.8	-171.3	-176.9	0	0	0	0	0	113.7	T377 G378	T377-G419 CarbonylContact C-O 3.58Å; G378-G419 WeakPolarHBondContact CA-O 2.99Å; G378-G419 PolarHBondContact N-O 3.28Å
420	F	94.2	Very high	93.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.7	-178.5	-73.7	-100.9	0	0	0	110.9	N422 G438 H441 W446 R449	F420-N422 PolarHBondContact O-N 2.83Å; F420-G438 PolarHBondContact N-O 3.15Å; F420-G438 PolarHBondContact O-N 3.23Å; F420-H441 HydrophobicContact CD1-CB 3.77Å; F420-H441 HydrophobicContact CE1-CB 3.81Å; F420-W446 HydrophobicContact CZ-CB 4.24Å; F420-R449 HydrophobicContact CE2-CG 4.26Å
421	I	96.7	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	94	170.5	-50.5	-55.8	0	0	0	109	T360 A361 S375 I380 L417 L424 V435 L437	T360-I421 VanDerWaalsContact CB-O 3.28Å; T360-I421 WeakPolarHBondContact CB-O 3.39Å; T360-I421 PolarHBondContact OG1-O 2.87Å; A361-I421 HydrophobicContact CB-CG2 4.26Å; S375-I421 WeakPolarHBondContact O-CG1 3.49Å; S375-I421 PolarHBondContact O-N 2.75Å; S375-I421 VanDerWaalsContact O-N 3.14Å; I380-I421 HydrophobicContact CD1-CD1 4.21Å; I380-I421 HydrophobicContact CG1-CD1 4.14Å; I380-I421 HydrophobicContact CG1-CG1 4.08Å; L417-I421 HydrophobicContact CD1-CD1 4.13Å; I421-L424 HydrophobicContact CG2-CD2 3.81Å; I421-L424 HydrophobicContact CG2-CG 4.05Å; I421-V435 HydrophobicContact CD1-CG1 3.85Å; I421-V435 HydrophobicContact CG2-CG1 3.83Å; I421-L437 HydrophobicContact CD1-CD1 3.63Å
422	N	97.1	Very high	93.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-18.2	-172.3	-71.3	-47.1	0	0	0	114.3	V118 F420 C436 E440 H441 R442	V118-N422 WeakPolarHBondContact O-CB 3.22Å; V118-N422 PolarHBondContact O-ND2 3.32Å; F420-N422 PolarHBondContact O-N 2.83Å; N422-C436 HydrophobicContact CB-CB 4.37Å; N422-C436 PolarHBondContact N-O 3.14Å; N422-E440 PolarHBondContact ND2-O 2.77Å; N422-H441 WeakPolarHBondContact OD1-CA 3.3Å; N422-R442 HydrophobicContact CB-CB 4.32Å; N422-R442 PolarHBondContact OD1-N 3.38Å
423	G	97.4	Very high	93.8	Very high	10 Å²	10	29.6 Å²	29.6	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	147.8	-175.9	0	0	0	0	0	111.6	C436	G423-C436 PolarHBondContact O-N 3.43Å
424	L	98.3	Very high	94	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.4	178.4	-68.2	175.3	0	0	0	108.6	A361 A363 A372 I421 L433 A434 V435	A361-L424 HydrophobicContact CB-CB 4.4Å; A361-L424 HydrophobicContact CB-CD1 4Å; A361-L424 HydrophobicContact CB-CG 3.81Å; A363-L424 HydrophobicContact CB-CB 3.68Å; A363-L424 WeakPolarHBondContact CB-O 3.39Å; A372-L424 HydrophobicContact CB-CD1 4.26Å; I421-L424 HydrophobicContact CG2-CD2 3.81Å; I421-L424 HydrophobicContact CG2-CG 4.05Å; L424-L433 HydrophobicContact CB-CD1 4.3Å; L424-L433 HydrophobicContact CD2-CD1 4.28Å; L424-L433 HydrophobicContact CD2-CD2 4.27Å; L424-L433 HydrophobicContact CD2-CG 4.38Å; L424-A434 CarbonylContact C-O 3.56Å; L424-A434 VanDerWaalsContact CA-O 3.31Å; L424-A434 WeakPolarHBondContact CA-O 3.29Å; L424-V435 HydrophobicContact CD2-CB 4.11Å; L424-V435 HydrophobicContact CD2-CG1 3.99Å; L424-V435 HydrophobicContact CD2-CG2 3.69Å
425	A	98	Very high	94.2	Very high	15 Å²	15	25.3 Å²	25.3	12%	0.124	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	131.1	171.4	0	0	0	0	0	110.3	V121 I123 A434	V121-A425 HydrophobicContact CG1-CB 3.94Å; I123-A425 HydrophobicContact CD1-CB 4.11Å; I123-A425 WeakPolarHBondContact CD1-O 3.39Å; I123-A425 HydrophobicContact CG1-CB 4.28Å; A425-A434 HydrophobicContact CB-CB 4.39Å; A425-A434 PolarHBondContact N-O 3.33Å; A425-A434 WeakPolarHBondContact O-CB 3.42Å; A425-A434 PolarHBondContact O-N 3.06Å
426	F	97.4	Very high	94.5	Very high	22 Å²	22	25 Å²	25	10%	0.096	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.5	171.7	-78.5	-84.9	0	0	0	110.5	A363 G364 L365 L370 A372 F382 L433 L461	A363-F426 HydrophobicContact CB-CD2 4.27Å; A363-F426 HydrophobicContact CB-CE2 4.48Å; G364-F426 VanDerWaalsContact C-CD2 3.41Å; L365-F426 HydrophobicContact CB-CB 4.17Å; L365-F426 HydrophobicContact CB-CD1 4.15Å; L365-F426 HydrophobicContact CB-CD2 4.3Å; L365-F426 HydrophobicContact CB-CG 3.95Å; L365-F426 HydrophobicContact CD1-CB 3.98Å; L370-F426 HydrophobicContact CD2-CD1 4.28Å; L370-F426 HydrophobicContact CD2-CE1 3.52Å; L370-F426 HydrophobicContact CD2-CZ 3.86Å; L370-F426 HydrophobicContact CG-CE1 4.24Å; L370-F426 HydrophobicContact CG-CZ 4.05Å; A372-F426 HydrophobicContact CB-CE2 3.78Å; A372-F426 HydrophobicContact CB-CZ 3.69Å; F382-F426 HydrophobicContact CD1-CZ 4.31Å; F382-F426 AromaticContact CE1-CE1 3.96Å; F382-F426 HydrophobicContact CE1-CE1 3.96Å; F382-F426 AromaticContact CE1-CZ 3.84Å; F382-F426 HydrophobicContact CE1-CZ 3.84Å; F426-L433 HydrophobicContact CD1-CB 4.34Å; F426-L433 HydrophobicContact CD1-CD1 4.15Å; F426-L433 HydrophobicContact CD2-CD1 3.95Å; F426-L433 HydrophobicContact CE1-CB 4.16Å; F426-L433 HydrophobicContact CE1-CD1 4.06Å; F426-L433 HydrophobicContact CE2-CD1 3.86Å; F426-L433 HydrophobicContact CG-CD1 4.11Å; F426-L433 HydrophobicContact CZ-CD1 3.92Å; F426-L461 HydrophobicContact CD1-CD1 3.72Å; F426-L461 HydrophobicContact CE1-CD1 3.79Å; F426-L461 HydrophobicContact CE1-CD2 4.3Å
427	S	95.6	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.			trans	-76.1	137	165.1	68.7	0	0	0	0	109.9	L365 D429 R430 R431 Y432	L365-S427 WeakPolarHBondContact CD1-O 3.47Å; S427-D429 WeakPolarHBondContact CB-OD1 3.11Å; S427-D429 PolarHBondContact O-N 3.35Å; S427-D429 PolarHBondContact OG-OD1 2.66Å; S427-R430 PolarHBondContact O-N 3.44Å; S427-R431 PolarHBondContact OG-N 3.48Å; S427-R431 VanDerWaalsContact OG-N 3.17Å; S427-Y432 PolarHBondContact N-O 2.78Å; S427-Y432 PolarHBondContact OG-N 3.47Å; S427-Y432 PolarHBondContact OG-O 3.15Å
428	S	90.8	Very high	94.8	Very high	44 Å²	44	20.9 Å²	20.9	31%	0.308	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.8	-179.9	51.2	0	0	0	0	112.8	E125 R430	E125-S428 WeakPolarHBondContact O-CB 3.38Å; E125-S428 PolarHBondContact O-OG 3.4Å; S428-R430 PolarHBondContact O-N 2.75Å
429	D	90.6	Very high	95.2	Very high	54 Å²	54	22.4 Å²	22.4	29%	0.289	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	1.8	173.6	64.5	15.5	0	0	0	114.1	S427 R431	S427-D429 WeakPolarHBondContact CB-OD1 3.11Å; S427-D429 PolarHBondContact O-N 3.35Å; S427-D429 PolarHBondContact OG-OD1 2.66Å; D429-R431 HydrophobicContact CB-CG 4.45Å; D429-R431 VanDerWaalsContact CG-NE 3.32Å; D429-R431 PolarHBondContact O-N 3.06Å; D429-R431 VanDerWaalsContact O-N 3.16Å; D429-R431 WeakPolarHBondContact OD1-CB 3.43Å; D429-R431 PolarHBondContact OD1-N 3.45Å; D429-R431 IonicContact OD1-NE 2.8Å; D429-R431 IonicContact OD2-CZ 2.98Å; D429-R431 IonicContact OD2-NE 3.37Å; D429-R431 PolarHBondContact OD2-NE 3.18Å; D429-R431 IonicContact OD2-NH2 3.89Å; D429-R431 PolarHBondContact OD2-NH2 3.26Å
430	R	92	Very high	95.2	Very high	107 Å²	107	23 Å²	23	40%	0.404	11%	0.11	S	C	.	.	S	Bend	trans	61.7	18.4	176.8	-41	-176	-176.5	169	-1.2	114.4	F96 L365 S427 S428 L461	F96-R430 HydrophobicContact CE1-CB 4.49Å; F96-R430 HydrophobicContact CZ-CB 3.99Å; F96-R430 HydrophobicContact CZ-CG 4.29Å; L365-R430 HydrophobicContact CD1-CG 4.3Å; L365-R430 HydrophobicContact CD2-CB 4.4Å; L365-R430 HydrophobicContact CD2-CG 3.85Å; S427-R430 PolarHBondContact O-N 3.44Å; S428-R430 PolarHBondContact O-N 2.75Å; R430-L461 WeakPolarHBondContact O-CB 3.42Å
431	R	92.1	Very high	95.2	Very high	89 Å²	89	23 Å²	23	34%	0.336	11%	0.11	S	C	.	.	S	Bend	trans	-80.9	-37.7	178.4	-68	-170.2	-68.9	169.2	-3.1	113.5	G127 N145 S427 D429 P460 L461	G127-R431 PolarHBondContact O-NH2 3.11Å; N145-R431 PolarHBondContact OD1-NH1 3.15Å; N145-R431 PolarHBondContact OD1-NH2 3.33Å; N145-R431 VanDerWaalsContact OD1-NH2 3.1Å; S427-R431 PolarHBondContact OG-N 3.48Å; S427-R431 VanDerWaalsContact OG-N 3.17Å; D429-R431 HydrophobicContact CB-CG 4.45Å; D429-R431 VanDerWaalsContact CG-NE 3.32Å; D429-R431 PolarHBondContact O-N 3.06Å; D429-R431 VanDerWaalsContact O-N 3.16Å; D429-R431 WeakPolarHBondContact OD1-CB 3.43Å; D429-R431 PolarHBondContact OD1-N 3.45Å; D429-R431 IonicContact OD1-NE 2.8Å; D429-R431 IonicContact OD2-CZ 2.98Å; D429-R431 IonicContact OD2-NE 3.37Å; D429-R431 PolarHBondContact OD2-NE 3.18Å; D429-R431 IonicContact OD2-NH2 3.89Å; D429-R431 PolarHBondContact OD2-NH2 3.26Å; R431-P460 WeakPolarHBondContact O-CA 3.29Å; R431-L461 PolarHBondContact O-N 3.14Å
432	Y	95.1	Very high	95	Very high	39 Å²	39	24.5 Å²	24.5	15%	0.153	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.1	-168	-57	-70.9	0	0	0	113.3	M147 S427 L458 I459 P460	M147-Y432 HydrophobicContact CE-CE1 4.14Å; M147-Y432 HydrophobicContact CE-CE2 3.81Å; M147-Y432 WeakPolarHBondContact CE-OH 3.14Å; S427-Y432 PolarHBondContact N-O 2.78Å; S427-Y432 PolarHBondContact OG-N 3.47Å; S427-Y432 PolarHBondContact OG-O 3.15Å; Y432-L458 HydrophobicContact CD1-CB 4.18Å; Y432-L458 HydrophobicContact CG-CB 4.46Å; Y432-I459 CarbonylContact C-O 3.52Å; Y432-I459 WeakPolarHBondContact CA-O 3.39Å; Y432-P460 HydrophobicContact CD1-CB 4.31Å; Y432-P460 HydrophobicContact CD1-CG 4.27Å; Y432-P460 HydrophobicContact CE1-CB 4.21Å; Y432-P460 HydrophobicContact CE1-CG 4.07Å
433	L	97.3	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.4	155	174	66.3	0	0	0	108.6	A372 I380 F382 L424 F426 V435 I459 L461	A372-L433 HydrophobicContact CB-CD1 4.35Å; A372-L433 HydrophobicContact CB-CD2 3.76Å; I380-L433 HydrophobicContact CG2-CD2 4.15Å; F382-L433 HydrophobicContact CE1-CD2 4Å; F382-L433 HydrophobicContact CE2-CD2 4.07Å; F382-L433 HydrophobicContact CZ-CB 4.39Å; F382-L433 HydrophobicContact CZ-CD2 3.4Å; F382-L433 VanDerWaalsContact CZ-CD2 3.4Å; L424-L433 HydrophobicContact CB-CD1 4.3Å; L424-L433 HydrophobicContact CD2-CD1 4.28Å; L424-L433 HydrophobicContact CD2-CD2 4.27Å; L424-L433 HydrophobicContact CD2-CG 4.38Å; F426-L433 HydrophobicContact CD1-CB 4.34Å; F426-L433 HydrophobicContact CD1-CD1 4.15Å; F426-L433 HydrophobicContact CD2-CD1 3.95Å; F426-L433 HydrophobicContact CE1-CB 4.16Å; F426-L433 HydrophobicContact CE1-CD1 4.06Å; F426-L433 HydrophobicContact CE2-CD1 3.86Å; F426-L433 HydrophobicContact CG-CD1 4.11Å; F426-L433 HydrophobicContact CZ-CD1 3.92Å; L433-V435 HydrophobicContact CD2-CG2 4.31Å; L433-V435 HydrophobicContact CG-CG2 4.08Å; L433-I459 HydrophobicContact CB-CB 4.33Å; L433-I459 HydrophobicContact CD2-CD1 4.23Å; L433-I459 PolarHBondContact N-O 3.42Å; L433-I459 PolarHBondContact O-N 3.26Å; L433-L461 HydrophobicContact CB-CD2 4.38Å
434	A	98.1	Very high	93.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.9	169.1	0	0	0	0	0	111.1	V121 I123 L424 A425 L456 L457 L458	V121-A434 HydrophobicContact CG1-CB 4.45Å; V121-A434 HydrophobicContact CG2-CB 4.06Å; I123-A434 HydrophobicContact CD1-CB 3.7Å; I123-A434 HydrophobicContact CG1-CB 4.31Å; L424-A434 CarbonylContact C-O 3.56Å; L424-A434 VanDerWaalsContact CA-O 3.31Å; L424-A434 WeakPolarHBondContact CA-O 3.29Å; A425-A434 HydrophobicContact CB-CB 4.39Å; A425-A434 PolarHBondContact N-O 3.33Å; A425-A434 WeakPolarHBondContact O-CB 3.42Å; A425-A434 PolarHBondContact O-N 3.06Å; A434-L456 HydrophobicContact CB-CD1 3.78Å; A434-L457 CarbonylContact C-O 3.57Å; A434-L457 WeakPolarHBondContact CA-O 3.45Å; A434-L458 HydrophobicContact CB-CD2 3.91Å
435	V	98.3	Very high	92.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122	-175.2	-177.6	0	0	0	0	109.9	I380 L417 I421 L424 L433 L437 L456 L457 I459	I380-V435 HydrophobicContact CD1-CB 4.3Å; I380-V435 HydrophobicContact CD1-CG1 3.67Å; I380-V435 HydrophobicContact CD1-CG2 3.65Å; L417-V435 HydrophobicContact CD1-CG1 4.26Å; I421-V435 HydrophobicContact CD1-CG1 3.85Å; I421-V435 HydrophobicContact CG2-CG1 3.83Å; L424-V435 HydrophobicContact CD2-CB 4.11Å; L424-V435 HydrophobicContact CD2-CG1 3.99Å; L424-V435 HydrophobicContact CD2-CG2 3.69Å; L433-V435 HydrophobicContact CD2-CG2 4.31Å; L433-V435 HydrophobicContact CG-CG2 4.08Å; V435-L437 PolarHBondContact O-N 3.03Å; V435-L456 WeakPolarHBondContact O-CA 3.29Å; V435-L457 HydrophobicContact CB-CB 4.15Å; V435-L457 PolarHBondContact N-O 3.03Å; V435-L457 PolarHBondContact O-N 3.12Å; V435-I459 HydrophobicContact CG2-CD1 3.57Å; V435-I459 HydrophobicContact CG2-CG1 4.21Å
436	C	98	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.9	170.3	-68.8	0	0	0	0	110.4	V118 C120 V121 N422 G423	V118-C436 HydrophobicContact CB-CB 3.98Å; V118-C436 HydrophobicContact CG1-CB 3.93Å; V118-C436 WeakPolarHBondContact CG1-SG 3.34Å; C120-C436 PolarHBondContact O-SG 2.91Å; V121-C436 WeakPolarHBondContact CB-SG 3.47Å; V121-C436 WeakPolarHBondContact CG1-SG 3.24Å; N422-C436 HydrophobicContact CB-CB 4.37Å; N422-C436 PolarHBondContact N-O 3.14Å; G423-C436 PolarHBondContact O-N 3.43Å
437	L	96	Very high	90.3	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.9	174.4	-166.9	66.6	0	0	0	110.9	L417 G418 I421 V435 V452 N454 G455 L457	L417-L437 HydrophobicContact CB-CD1 4.34Å; G418-L437 WeakPolarHBondContact O-CD1 3.29Å; I421-L437 HydrophobicContact CD1-CD1 3.63Å; V435-L437 PolarHBondContact O-N 3.03Å; L437-V452 HydrophobicContact CD1-CG1 4.38Å; L437-V452 HydrophobicContact CD2-CG1 3.73Å; L437-V452 HydrophobicContact CG-CG1 3.79Å; L437-N454 WeakPolarHBondContact O-CA 3.16Å; L437-G455 PolarHBondContact N-O 2.64Å; L437-G455 PolarHBondContact O-N 3.18Å; L437-G455 VanDerWaalsContact O-N 3.13Å; L437-L457 HydrophobicContact CB-CD1 4.05Å; L437-L457 HydrophobicContact CD2-CD1 3.75Å; L437-L457 HydrophobicContact CG-CD1 4.42Å
438	G	93.8	Very high	89.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.6	177.1	0	0	0	0	0	113.6	S117 F420 E440 N454	S117-G438 WeakPolarHBondContact OG-CA 3.24Å; F420-G438 PolarHBondContact N-O 3.15Å; F420-G438 PolarHBondContact O-N 3.23Å; G438-E440 PolarHBondContact O-N 3.15Å; G438-N454 WeakPolarHBondContact CA-OD1 3.3Å
439	Q	92.1	Very high	88.7	Confident	57 Å²	57	45.5 Å²	45.5	27%	0.266	21%	0.205	S	C	.	.	S	Bend	trans	-69.5	-17.8	169.7	-67.6	179.5	-9.2	0	0	112.8	S117 P448 R449 V452 N454	S117-Q439 PolarHBondContact OG-N 3.18Å; S117-Q439 VanDerWaalsContact OG-N 3.14Å; Q439-P448 WeakPolarHBondContact O-CA 3.11Å; Q439-R449 WeakPolarHBondContact CG-O 3.49Å; Q439-R449 PolarHBondContact O-N 3.31Å; Q439-V452 HydrophobicContact CG-CB 4.12Å; Q439-V452 WeakPolarHBondContact CG-O 3.01Å; Q439-V452 PolarHBondContact NE2-O 3.15Å; Q439-N454 WeakPolarHBondContact CG-OD1 3.17Å; Q439-N454 PolarHBondContact N-OD1 3.4Å
440	E	91	Very high	87.8	Confident	17 Å²	17	53.1 Å²	53.1	8%	0.079	23%	0.23	C	C	.	.	S	Bend	trans	-151.4	159.2	-173.9	52.6	175	-153.2	0	0	111.4	S117 K135 N422 G438 H445	S117-E440 WeakPolarHBondContact OG-CG 3.46Å; S117-E440 PolarHBondContact OG-N 2.73Å; S117-E440 PolarHBondContact OG-O 2.58Å; K135-E440 HydrophobicContact CD-CG 4.21Å; K135-E440 WeakPolarHBondContact CD-OE1 3.48Å; K135-E440 WeakPolarHBondContact CE-OE1 3.39Å; K135-E440 IonicContact NZ-OE1 2.73Å; K135-E440 PolarHBondContact NZ-OE1 3.49Å; K135-E440 IonicContact NZ-OE2 2.78Å; N422-E440 PolarHBondContact ND2-O 2.77Å; G438-E440 PolarHBondContact O-N 3.15Å; E440-H445 IonicContact OE1-CE1 2.98Å; E440-H445 PolarHBondContact OE1-CE1 2.68Å; E440-H445 IonicContact OE1-ND1 3.88Å; E440-H445 PolarHBondContact OE1-ND1 2.56Å; E440-H445 IonicContact OE2-CE1 3.47Å; E440-H445 PolarHBondContact OE2-CE1 3.05Å; E440-H445 IonicContact OE2-CG 3.8Å; E440-H445 IonicContact OE2-ND1 3.14Å; E440-H445 PolarHBondContact OE2-ND1 3.23Å
441	H	93	Very high	87.3	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.014	25%	0.245	C	C	.	.			trans	-64.8	145.6	179.8	-174.4	-126.9	0	0	0	113.3	K135 E300 W358 F420 N422 F443 G444 W446	K135-H441 WeakPolarHBondContact CE-O 3.14Å; K135-H441 PolarHBondContact NZ-O 3.44Å; E300-H441 IonicContact OE2-CE1 3.48Å; W358-H441 HydrophobicContact CZ3-CB 4.22Å; W358-H441 AromaticContact CZ3-CE1 3.97Å; W358-H441 AromaticContact CZ3-CG 3.82Å; W358-H441 AromaticContact CZ3-ND1 3.68Å; F420-H441 HydrophobicContact CD1-CB 3.77Å; F420-H441 HydrophobicContact CE1-CB 3.81Å; N422-H441 WeakPolarHBondContact OD1-CA 3.3Å; H441-F443 VanDerWaalsContact C-N 3.33Å; H441-F443 AromaticContact CE1-CD2 3.53Å; H441-F443 PolarHBondContact O-N 3.29Å; H441-G444 PolarHBondContact O-N 2.8Å; H441-W446 HydrophobicContact CB-CB 4.3Å; H441-W446 HydrophobicContact CB-CG 4.32Å
442	R	93.4	Very high	87	Confident	30 Å²	30	51.7 Å²	51.7	11%	0.113	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-37	-178.5	67	-175.6	-178.9	168.7	4.5	115.2	K135 L255 E300 N422	K135-R442 VanDerWaalsContact CE-O 3.29Å; K135-R442 WeakPolarHBondContact CE-O 3.36Å; L255-R442 PolarHBondContact O-NH2 3.24Å; E300-R442 PolarHBondContact O-NH2 2.71Å; N422-R442 HydrophobicContact CB-CB 4.32Å; N422-R442 PolarHBondContact OD1-N 3.38Å
443	F	87.9	Confident	86.7	Confident	54 Å²	54	52.9 Å²	52.9	24%	0.237	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.1	-175.2	-66.5	-55.4	0	0	0	115.3	L170 T212 L255 H441	L170-F443 HydrophobicContact CD1-CD1 4.41Å; L170-F443 HydrophobicContact CD1-CE1 4.18Å; L170-F443 HydrophobicContact CD2-CD1 4Å; L170-F443 HydrophobicContact CD2-CE1 4.17Å; T212-F443 HydrophobicContact CG2-CE1 4.18Å; L255-F443 HydrophobicContact CB-CE2 4.24Å; L255-F443 HydrophobicContact CB-CZ 4.39Å; L255-F443 HydrophobicContact CD2-CD2 4.4Å; L255-F443 HydrophobicContact CD2-CE2 3.93Å; L255-F443 HydrophobicContact CD2-CZ 4.17Å; L255-F443 WeakPolarHBondContact O-CZ 3.42Å; H441-F443 VanDerWaalsContact C-N 3.33Å; H441-F443 AromaticContact CE1-CD2 3.53Å; H441-F443 PolarHBondContact O-N 3.29Å
444	G	83.9	Confident	86.5	Confident	18 Å²	18	53.8 Å²	53.8	19%	0.186	25%	0.248	C	C	.	.	S	Bend	trans	-176.6	178	-178.3	0	0	0	0	0	115.1	K135 H441 W446	K135-G444 PolarHBondContact NZ-O 3.07Å; H441-G444 PolarHBondContact O-N 2.8Å; G444-W446 VanDerWaalsContact C-CD1 3.43Å; G444-W446 PolarHBondContact O-N 3.4Å
445	H	70.1	Confident	86.4	Confident	149 Å²	149	53.8 Å²	53.8	69%	0.69	25%	0.248	S	C	*	.			trans	-85.4	98.9	173.7	-67.9	-62.3	0	0	0	108.7	E440	E440-H445 IonicContact OE1-CE1 2.98Å; E440-H445 PolarHBondContact OE1-CE1 2.68Å; E440-H445 IonicContact OE1-ND1 3.88Å; E440-H445 PolarHBondContact OE1-ND1 2.56Å; E440-H445 IonicContact OE2-CE1 3.47Å; E440-H445 PolarHBondContact OE2-CE1 3.05Å; E440-H445 IonicContact OE2-CG 3.8Å; E440-H445 IonicContact OE2-ND1 3.14Å; E440-H445 PolarHBondContact OE2-ND1 3.23Å
446	W	72.7	Confident	86.4	Confident	122 Å²	122	53.8 Å²	53.8	46%	0.462	25%	0.248	S	C	.	.			trans	-124.8	118.1	-178.4	-64.9	93	0	0	0	108.6	W358 F420 H441 G444	W358-W446 AromaticContact CH2-CD2 3.66Å; W358-W446 HydrophobicContact CH2-CD2 3.66Å; W358-W446 AromaticContact CH2-CE2 3.87Å; W358-W446 AromaticContact CH2-CE3 3.85Å; W358-W446 HydrophobicContact CH2-CE3 3.85Å; W358-W446 HydrophobicContact CH2-CG 4.03Å; W358-W446 HydrophobicContact CH2-CH2 4.41Å; W358-W446 HydrophobicContact CH2-CZ2 4.25Å; W358-W446 HydrophobicContact CH2-CZ3 4.23Å; W358-W446 HydrophobicContact CZ2-CE3 4.35Å; W358-W446 HydrophobicContact CZ2-CZ3 4.44Å; W358-W446 HydrophobicContact CZ3-CD2 4.44Å; W358-W446 HydrophobicContact CZ3-CG 4.39Å; F420-W446 HydrophobicContact CZ-CB 4.24Å; H441-W446 HydrophobicContact CB-CB 4.3Å; H441-W446 HydrophobicContact CB-CG 4.32Å; G444-W446 VanDerWaalsContact C-CD1 3.43Å; G444-W446 PolarHBondContact O-N 3.4Å
447	E	74.6	Confident	86.3	Confident	63 Å²	63	54.4 Å²	54.4	29%	0.294	25%	0.252	S	S	.	.	S	Bend	trans	34.2	68.4	173.8	-62.1	-171.7	170.1	0	0	114.3	R449	E447-R449 PolarHBondContact O-N 2.7Å; E447-R449 VanDerWaalsContact O-N 3.07Å; E447-R449 IonicContact OE2-CZ 3.82Å; E447-R449 IonicContact OE2-NH2 2.81Å; E447-R449 PolarHBondContact OE2-NH2 2.85Å
448	P	73.8	Confident	86.4	Confident	72 Å²	72	54 Å²	54	47%	0.468	25%	0.25	S	C	.	.			trans	-60.4	117.6	-170.5	24.3	-33.9	0	0	0	111.4	Q439 R450	Q439-P448 WeakPolarHBondContact O-CA 3.11Å; P448-R450 PolarHBondContact O-N 2.99Å; P448-R450 VanDerWaalsContact O-N 3.09Å
449	R	79.3	Confident	86.5	Confident	73 Å²	73	54.1 Å²	54.1	28%	0.275	25%	0.25	S	C	.	.			trans	-84.4	78.6	179.7	-57.6	-64.5	179.6	-168.4	-11.1	110.3	F420 Q439 E447 H451 V452	F420-R449 HydrophobicContact CE2-CG 4.26Å; Q439-R449 WeakPolarHBondContact CG-O 3.49Å; Q439-R449 PolarHBondContact O-N 3.31Å; E447-R449 PolarHBondContact O-N 2.7Å; E447-R449 VanDerWaalsContact O-N 3.07Å; E447-R449 IonicContact OE2-CZ 3.82Å; E447-R449 IonicContact OE2-NH2 2.81Å; E447-R449 PolarHBondContact OE2-NH2 2.85Å; R449-H451 PolarHBondContact O-N 3.2Å; R449-V452 HydrophobicContact CB-CB 4.31Å; R449-V452 HydrophobicContact CB-CG2 3.65Å; R449-V452 WeakPolarHBondContact O-CB 3.46Å; R449-V452 PolarHBondContact O-N 2.92Å
450	R	72.4	Confident	86.6	Confident	215 Å²	215	52.2 Å²	52.2	81%	0.811	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.1	-172.4	-65	-176.3	-179.8	174.4	0.9	115.7	P448 V452	P448-R450 PolarHBondContact O-N 2.99Å; P448-R450 VanDerWaalsContact O-N 3.09Å; R450-V452 VanDerWaalsContact C-N 3.31Å
451	H	80.3	Confident	86.7	Confident	156 Å²	156	51.9 Å²	51.9	72%	0.722	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.1	178.6	47.5	-87.4	0	0	0	113.8	R449	R449-H451 PolarHBondContact O-N 3.2Å
452	V	86.1	Confident	86.3	Confident	10 Å²	10	54 Å²	54	6%	0.061	25%	0.252	C	S	.	.	S	Bend	trans	-88.8	133.6	-177.9	177.5	0	0	0	0	110.3	L437 Q439 R449 R450	L437-V452 HydrophobicContact CD1-CG1 4.38Å; L437-V452 HydrophobicContact CD2-CG1 3.73Å; L437-V452 HydrophobicContact CG-CG1 3.79Å; Q439-V452 HydrophobicContact CG-CB 4.12Å; Q439-V452 WeakPolarHBondContact CG-O 3.01Å; Q439-V452 PolarHBondContact NE2-O 3.15Å; R449-V452 HydrophobicContact CB-CB 4.31Å; R449-V452 HydrophobicContact CB-CG2 3.65Å; R449-V452 WeakPolarHBondContact O-CB 3.46Å; R449-V452 PolarHBondContact O-N 2.92Å; R450-V452 VanDerWaalsContact C-N 3.31Å
453	T	88.8	Confident	85.8	Confident	63 Å²	63	55.5 Å²	55.5	39%	0.387	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-85	119.3	172.3	40.1	0	0	0	0	111.1	G455	T453-G455 PolarHBondContact O-N 3.03Å
454	N	93.4	Very high	85.1	Confident	20 Å²	20	58 Å²	58	11%	0.107	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-63.7	132	172.8	-58.6	-49.2	0	0	0	110.1	K116 S117 L437 G438 Q439	K116-N454 WeakPolarHBondContact O-CB 3.42Å; S117-N454 WeakPolarHBondContact CA-OD1 3.42Å; S117-N454 PolarHBondContact OG-OD1 3.21Å; L437-N454 WeakPolarHBondContact O-CA 3.16Å; G438-N454 WeakPolarHBondContact CA-OD1 3.3Å; Q439-N454 WeakPolarHBondContact CG-OD1 3.17Å; Q439-N454 PolarHBondContact N-OD1 3.4Å
455	G	95.5	Very high	85.1	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	174.4	177	0	0	0	0	0	113.8	L111 L437 T453	L111-G455 WeakPolarHBondContact O-CA 3.49Å; L437-G455 PolarHBondContact N-O 2.64Å; L437-G455 PolarHBondContact O-N 3.18Å; L437-G455 VanDerWaalsContact O-N 3.13Å; T453-G455 PolarHBondContact O-N 3.03Å
456	L	97.6	Very high	85.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.5	169.7	170	64	0	0	0	107.8	L111 V121 A130 T132 W142 A434 V435 L458	L111-L456 HydrophobicContact CB-CB 4.18Å; L111-L456 WeakPolarHBondContact CB-O 3.29Å; L111-L456 HydrophobicContact CD1-CD2 3.94Å; L111-L456 HydrophobicContact CD1-CG 4.38Å; L111-L456 PolarHBondContact N-O 2.96Å; L111-L456 PolarHBondContact O-N 3.15Å; V121-L456 HydrophobicContact CG2-CD1 4.06Å; A130-L456 HydrophobicContact CB-CD2 4.02Å; T132-L456 HydrophobicContact CG2-CB 4.12Å; T132-L456 HydrophobicContact CG2-CD1 4.25Å; T132-L456 HydrophobicContact CG2-CD2 3.77Å; T132-L456 HydrophobicContact CG2-CG 4.27Å; W142-L456 HydrophobicContact CG-CD2 4.08Å; A434-L456 HydrophobicContact CB-CD1 3.78Å; V435-L456 WeakPolarHBondContact O-CA 3.29Å; L456-L458 HydrophobicContact CD1-CD2 4.45Å; L456-L458 HydrophobicContact CD2-CD2 4.43Å; L456-L458 HydrophobicContact CG-CD2 4.33Å
457	L	97.2	Very high	86.6	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138	171.8	-68.3	164.6	0	0	0	109.3	I108 I109 L110 L417 A434 V435 L437	I108-L457 HydrophobicContact CG2-CB 4Å; I108-L457 HydrophobicContact CG2-CD2 3.66Å; I108-L457 HydrophobicContact CG2-CG 4.32Å; I109-L457 CarbonylContact O-C 3.54Å; I109-L457 VanDerWaalsContact O-CA 3.26Å; I109-L457 WeakPolarHBondContact O-CA 3.45Å; L110-L457 HydrophobicContact CB-CD2 3.66Å; L110-L457 HydrophobicContact CD1-CD2 3.61Å; L110-L457 HydrophobicContact CD1-CG 4.03Å; L110-L457 HydrophobicContact CG-CD2 4.14Å; L417-L457 HydrophobicContact CD1-CD1 3.51Å; L417-L457 HydrophobicContact CD2-CD1 3.98Å; L417-L457 HydrophobicContact CG-CD1 4.21Å; A434-L457 CarbonylContact C-O 3.57Å; A434-L457 WeakPolarHBondContact CA-O 3.45Å; V435-L457 HydrophobicContact CB-CB 4.15Å; V435-L457 PolarHBondContact N-O 3.03Å; V435-L457 PolarHBondContact O-N 3.12Å; L437-L457 HydrophobicContact CB-CD1 4.05Å; L437-L457 HydrophobicContact CD2-CD1 3.75Å; L437-L457 HydrophobicContact CG-CD1 4.42Å
458	L	97.1	Very high	87.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.7	171.2	-57.5	172.8	0	0	0	107.9	I108 I109 L111 L144 M147 Y432 A434 L456 P460	I108-L458 WeakPolarHBondContact CA-O 3.3Å; I109-L458 HydrophobicContact CB-CB 4.32Å; I109-L458 PolarHBondContact N-O 3.25Å; I109-L458 PolarHBondContact O-N 3.03Å; L111-L458 HydrophobicContact CD1-CD1 3.9Å; L111-L458 HydrophobicContact CD1-CG 4.38Å; L144-L458 HydrophobicContact CD2-CD1 3.67Å; L144-L458 HydrophobicContact CD2-CD2 3.92Å; L144-L458 HydrophobicContact CD2-CG 4.45Å; M147-L458 HydrophobicContact CE-CD1 3.93Å; M147-L458 HydrophobicContact SD-CD1 3.35Å; M147-L458 WeakPolarHBondContact SD-CD1 3.36Å; Y432-L458 HydrophobicContact CD1-CB 4.18Å; Y432-L458 HydrophobicContact CG-CB 4.46Å; A434-L458 HydrophobicContact CB-CD2 3.91Å; L456-L458 HydrophobicContact CD1-CD2 4.45Å; L456-L458 HydrophobicContact CD2-CD2 4.43Å; L456-L458 HydrophobicContact CG-CD2 4.33Å; L458-P460 WeakPolarHBondContact O-CD 3.45Å
459	I	95.8	Very high	88.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.7	175.4	-61.4	164.6	0	0	0	107.4	L103 I108 I380 I415 Y432 L433 V435	L103-I459 HydrophobicContact CD2-CG2 3.87Å; I108-I459 HydrophobicContact CD1-CG1 4.25Å; I108-I459 HydrophobicContact CG1-CG1 4.23Å; I108-I459 HydrophobicContact CG2-CG1 4.36Å; I380-I459 HydrophobicContact CD1-CD1 3.68Å; I415-I459 HydrophobicContact CD1-CD1 3.76Å; I415-I459 HydrophobicContact CD1-CG1 4.05Å; I415-I459 HydrophobicContact CD1-CG2 3.72Å; Y432-I459 CarbonylContact C-O 3.52Å; Y432-I459 WeakPolarHBondContact CA-O 3.39Å; L433-I459 HydrophobicContact CB-CB 4.33Å; L433-I459 HydrophobicContact CD2-CD1 4.23Å; L433-I459 PolarHBondContact N-O 3.42Å; L433-I459 PolarHBondContact O-N 3.26Å; V435-I459 HydrophobicContact CG2-CD1 3.57Å; V435-I459 HydrophobicContact CG2-CG1 4.21Å
460	P	94.6	Very high	88.8	Confident	18 Å²	18	48.1 Å²	48.1	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.4	174.2	-21.6	34.1	0	0	0	111.6	E107 R431 Y432 L458	E107-P460 HydrophobicContact CB-CG 4.01Å; E107-P460 WeakPolarHBondContact O-CG 3.45Å; R431-P460 WeakPolarHBondContact O-CA 3.29Å; Y432-P460 HydrophobicContact CD1-CB 4.31Å; Y432-P460 HydrophobicContact CD1-CG 4.27Å; Y432-P460 HydrophobicContact CE1-CB 4.21Å; Y432-P460 HydrophobicContact CE1-CG 4.07Å; L458-P460 WeakPolarHBondContact O-CD 3.45Å
461	L	92.3	Very high	89.9	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.052	21%	0.206	C	C	.	.			trans	-97.8	102.8	173.8	-58.4	176	0	0	0	108	L103 F382 F426 R430 R431 L433 V463	L103-L461 HydrophobicContact CD2-CD2 4.38Å; F382-L461 HydrophobicContact CE1-CD2 3.84Å; F382-L461 HydrophobicContact CZ-CD2 4.03Å; F426-L461 HydrophobicContact CD1-CD1 3.72Å; F426-L461 HydrophobicContact CE1-CD1 3.79Å; F426-L461 HydrophobicContact CE1-CD2 4.3Å; R430-L461 WeakPolarHBondContact O-CB 3.42Å; R431-L461 PolarHBondContact O-N 3.14Å; L433-L461 HydrophobicContact CB-CD2 4.38Å; L461-V463 PolarHBondContact O-N 3.07Å; L461-V463 VanDerWaalsContact O-N 3.08Å
462	N	85.6	Confident	90.7	Very high	46 Å²	46	26.9 Å²	26.9	25%	0.246	17%	0.167	C	C	.	.			trans	-78.3	96.2	177.3	-69.8	-25.4	0	0	0	109.5	K101 E107	K101-N462 PolarHBondContact N-O 3.34Å; E107-N462 PolarHBondContact OE2-ND2 2.69Å
463	V	82.9	Confident	91.1	Very high	63 Å²	63	28.3 Å²	28.3	38%	0.382	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-84	135.7	177.6	-170	0	0	0	0	109.8	F96 Q99 L461	F96-V463 HydrophobicContact CE2-CG1 3.86Å; F96-V463 HydrophobicContact CE2-CG2 4.3Å; F96-V463 HydrophobicContact CZ-CG1 4.06Å; F96-V463 HydrophobicContact CZ-CG2 3.68Å; Q99-V463 HydrophobicContact CB-CG1 3.9Å; L461-V463 PolarHBondContact O-N 3.07Å; L461-V463 VanDerWaalsContact O-N 3.08Å
464	S	72.1	Confident	91.3	Very high	106 Å²	106	25.2 Å²	25.2	74%	0.741	16%	0.156	S	C	*	.			trans	-63.4	0	179.4	64.3	0	0	0	0	114.7	Q99	Q99-S464 WeakPolarHBondContact O-CB 3.46Å; Q99-S464 PolarHBondContact O-N 3.4Å; Q99-S464 PolarHBondContact O-OG 2.79Å

Retrieved 464 of 464 residues in 394.1 ms (Link to these results)

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