A0A024R6N5_HUMAN Loading...

Serpin family A member 1

AlphaFold DB (A0A024R6I7), UniProt , Accession A0A024R6N5, Species HUMAN (Homo sapiens, Human), Gene SERPINA1, Length 418 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	37.4	Very low	244 Å²	244	139.9 Å²	139.9	100%	1.202	80%	0.799	S	S	*	*				0	140.3	0	-77.7	-180	168.5	0	0	108.1
2	P	49.5	Very low	37.1	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	81%	0.81	S	S	*	*				-119.9	167.2	-127.1	40.6	-30.4	0	0	0	115.9
3	S	37.1	Very low	36.8	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	80%	0.803	S	S	*	*			trans	50.3	119.9	134.1	65.7	0	0	0	0	120.4
4	S	43.9	Very low	36.3	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	80%	0.795	S	S	*	*				109	143.9	88.3	64.2	0	0	0	0	110.4
5	V	41.9	Very low	36	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	80%	0.801	S	S	*	*				-177	126	63.6	163.9	0	0	0	0	106.1
6	S	36.8	Very low	35.7	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	80%	0.801	S	S	*	*				72.1	110.3	96.3	-138.9	0	0	0	0	115.8
7	W	33.7	Very low	35.4	Very low	241 Å²	241	133.5 Å²	133.5	91%	0.913	80%	0.799	S	S	*	*				73.5	134	100.2	-84.7	41.9	0	0	0	116.9
8	G	31.6	Very low	35.1	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	80%	0.797	S	S	*	*			trans	172.7	96.6	164.7	0	0	0	0	0	114.8
9	I	37	Very low	35.1	Very low	136 Å²	136	133.3 Å²	133.3	70%	0.697	79%	0.792	S	S	*	*			trans	-67.6	147.4	172.1	-68.1	154.6	0	0	0	111.2
10	L	34.3	Very low	35.5	Very low	163 Å²	163	132.4 Å²	132.4	85%	0.853	79%	0.79	S	S	*	*			trans	-173.5	135.3	132.5	-102.3	150.1	0	0	0	116
11	L	34.1	Very low	35.4	Very low	141 Å²	141	132 Å²	132	74%	0.738	79%	0.788	S	S	*	*			trans	-34.1	152.7	165.7	-75.7	136.6	0	0	0	118.1
12	L	33.6	Very low	35.3	Very low	178 Å²	178	126 Å²	126	93%	0.932	77%	0.77	S	S	*	*			trans	-148	119.6	139.5	-108.9	151.5	0	0	0	111.2
13	A	32.5	Very low	34.5	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	78%	0.776	S	S	*	*			trans	-106.1	148.1	169.6	0	0	0	0	0	108.9
14	G	30.6	Very low	34.3	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	78%	0.783	S	S	*	*			trans	107.6	125.8	138.6	0	0	0	0	0	119.6
15	L	31.4	Very low	33.7	Very low	168 Å²	168	132.2 Å²	132.2	88%	0.88	79%	0.789	S	S	*	*			trans	97.8	102.9	138.9	-78.7	117.9	0	0	0	121.8
16	C	31	Very low	33.2	Very low	119 Å²	119	133.3 Å²	133.3	80%	0.804	79%	0.79	S	S	*	*			trans	-3.1	165.1	132	-62.3	0	0	0	0	122.5
17	C	30.5	Very low	33.4	Very low	112 Å²	112	134 Å²	134	76%	0.757	79%	0.793	S	S	*	*			trans	107.3	131.1	156.8	-68.4	0	0	0	0	113.8
18	L	31.1	Very low	33.5	Very low	148 Å²	148	132.1 Å²	132.1	78%	0.775	79%	0.794	S	S	*	*			cis	-165.9	137	15.5	-88.4	146.6	0	0	0	107.6
19	V	34.3	Very low	33.3	Very low	115 Å²	115	132 Å²	132	70%	0.697	79%	0.792	S	S	*	*				64.5	142.9	98.4	-178.3	0	0	0	0	114	V21	V19-V21 HydrophobicContact CG1-CG2 4.24Å
20	P	42.5	Very low	33.2	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	80%	0.803	S	S	*	*			cis	-132.6	153.2	35.1	26.8	-1.5	0	0	0	116.3
21	V	33.3	Very low	33	Very low	123 Å²	123	130.6 Å²	130.6	75%	0.745	80%	0.801	S	S	*	*				55.2	104.2	66.3	-171	0	0	0	0	114.6	V19	V19-V21 HydrophobicContact CG1-CG2 4.24Å
22	S	31.4	Very low	32.8	Very low	119 Å²	119	128.4 Å²	128.4	83%	0.832	80%	0.803	S	S	*	*			trans	-141.6	115.3	154.9	56	0	0	0	0	109.6
23	L	31.7	Very low	32.7	Very low	163 Å²	163	129.3 Å²	129.3	85%	0.853	80%	0.803	S	S	*	*			trans	-74	142.9	166.4	-90	146	0	0	0	110.4
24	A	33.1	Very low	32.5	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	81%	0.808	S	S	*	*			trans	-146.2	114.9	156.8	0	0	0	0	0	109.4
25	E	32.2	Very low	32.6	Very low	180 Å²	180	137 Å²	137	84%	0.841	81%	0.811	S	S	*	*			trans	-71.4	142.5	154.1	-72.1	165.8	132	0	0	107.6
26	D	30.2	Very low	32.3	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	81%	0.806	S	S	*	*				168.7	-172.9	75.6	-128.7	-11.3	0	0	0	106.1
27	P	42.3	Very low	32.4	Very low	111 Å²	111	135.9 Å²	135.9	72%	0.721	80%	0.803	S	S	*	*			cis	-127.9	-173.6	-42.7	33.9	-13.3	0	0	0	112.6
28	Q	35.5	Very low	32.4	Very low	201 Å²	201	135 Å²	135	94%	0.939	80%	0.798	S	S	*	*			trans	-41.7	144.1	176.4	-83.6	155.7	-38.5	0	0	118.4
29	G	26.8	Very low	32.5	Very low	76 Å²	76	136.1 Å²	136.1	78%	0.784	80%	0.799	S	S	*	*			trans	174.4	106.2	159.8	0	0	0	0	0	115.2
30	D	34.3	Very low	32.5	Very low	172 Å²	172	139.1 Å²	139.1	92%	0.92	81%	0.805	S	S	*	*			trans	14.5	119.9	155.2	-108	-18.8	0	0	0	120.4
31	A	30.3	Very low	32.4	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	81%	0.805	S	S	*	*			trans	-157.9	110.2	153.4	0	0	0	0	0	112.7
32	A	30.6	Very low	32.6	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	80%	0.802	S	S	*	*			trans	11.7	116.9	150.1	0	0	0	0	0	118.8	K34	A32-K34 PolarHBondContact O-N 3.35Å
33	Q	30.3	Very low	33.3	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	80%	0.804	S	S	*	*			trans	-55.8	102.8	156.9	-104.6	166.4	-43.8	0	0	110.4
34	K	29.8	Very low	34.5	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	79%	0.791	S	S	*	*			trans	-100.8	110.1	150	-98.2	-177.5	174.2	-177.5	0	106.8	A32 D36	A32-K34 PolarHBondContact O-N 3.35Å; K34-D36 PolarHBondContact O-N 3.3Å
35	T	31	Very low	36	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	77%	0.767	S	S	*	*			trans	-63.9	95.2	163.8	31.9	0	0	0	0	108.8
36	D	27	Very low	38	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	73%	0.731	S	S	*	*			trans	-94	87.7	156.1	-104.9	-25.3	0	0	0	107.3	K34 S38	K34-D36 PolarHBondContact O-N 3.3Å; D36-S38 VanDerWaalsContact C-N 3.29Å; D36-S38 PolarHBondContact O-N 3.1Å
37	T	31.3	Very low	40.1	Very low	120 Å²	120	125.3 Å²	125.3	74%	0.736	70%	0.697	S	S	*	*			trans	-88	76.4	158.6	45.5	0	0	0	0	107.6	H39	T37-H39 VanDerWaalsContact C-N 3.34Å; T37-H39 PolarHBondContact O-N 3.41Å
38	S	31.1	Very low	41.8	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	68%	0.681	S	S	*	*			trans	-86.4	85.4	156.7	51	0	0	0	0	107.5	D36 H40	D36-S38 VanDerWaalsContact C-N 3.29Å; D36-S38 PolarHBondContact O-N 3.1Å; S38-H40 VanDerWaalsContact C-N 3.29Å; S38-H40 PolarHBondContact O-N 2.91Å
39	H	33.9	Very low	44.2	Very low	171 Å²	171	118.3 Å²	118.3	79%	0.792	66%	0.655	S	S	*	*			trans	-63.4	101	157.2	-89.2	-74.3	0	0	0	106.7	T37 D41	T37-H39 VanDerWaalsContact C-N 3.34Å; T37-H39 PolarHBondContact O-N 3.41Å; H39-D41 PolarHBondContact O-N 3.25Å
40	H	34.9	Very low	47.4	Very low	178 Å²	178	114.7 Å²	114.7	82%	0.824	62%	0.618	S	S	*	*			trans	-63.1	90.5	156.1	-101.9	-53.5	0	0	0	106.7	S38 Q42	S38-H40 VanDerWaalsContact C-N 3.29Å; S38-H40 PolarHBondContact O-N 2.91Å; H40-Q42 PolarHBondContact O-N 3.23Å; H40-Q42 VanDerWaalsContact O-N 3.1Å
41	D	39	Very low	50.2	Low	139 Å²	139	106.7 Å²	106.7	74%	0.743	58%	0.575	S	S	*	*			trans	-58.6	109.5	150.5	-92	-27.1	0	0	0	105.3	H39 D43	H39-D41 PolarHBondContact O-N 3.25Å; D41-D43 PolarHBondContact O-N 2.75Å; D41-D43 VanDerWaalsContact O-N 3.16Å
42	Q	38.5	Very low	53.3	Low	148 Å²	148	104.5 Å²	104.5	69%	0.692	55%	0.553	S	S	*	*			trans	-63.7	114.9	163.7	-71.2	-170.7	-24.2	0	0	105.7	H40 H44	H40-Q42 PolarHBondContact O-N 3.23Å; H40-Q42 VanDerWaalsContact O-N 3.1Å; Q42-H44 PolarHBondContact O-CD2 2.9Å; Q42-H44 PolarHBondContact O-N 2.97Å
43	D	46.3	Very low	56.4	Low	165 Å²	165	101.5 Å²	101.5	88%	0.882	52%	0.524	S	S	*	.			trans	-56	84.7	174.6	-81.1	-36.4	0	0	0	109.8	D41	D41-D43 PolarHBondContact O-N 2.75Å; D41-D43 VanDerWaalsContact O-N 3.16Å
44	H	55.6	Low	59.6	Low	125 Å²	125	92.1 Å²	92.1	58%	0.579	48%	0.48	S	S	*	.			trans	-72.4	133.8	166.5	-71.3	-59	0	0	0	107.5	Q42 T46	Q42-H44 PolarHBondContact O-CD2 2.9Å; Q42-H44 PolarHBondContact O-N 2.97Å; H44-T46 PolarHBondContact O-N 3.13Å
45	P	65.6	Low	62.7	Low	50 Å²	50	83.4 Å²	83.4	33%	0.325	44%	0.443	S	S	.	.			trans	-51.8	133.3	179.3	-25.4	32.2	0	0	0	111.6	F47 N48	P45-F47 HydrophobicContact CB-CD1 3.43Å; P45-F47 VanDerWaalsContact CB-CD1 3.43Å; P45-F47 HydrophobicContact CB-CD2 4.36Å; P45-F47 HydrophobicContact CB-CE1 3.08Å; P45-F47 HydrophobicContact CB-CE2 4.03Å; P45-F47 HydrophobicContact CB-CG 4.08Å; P45-F47 HydrophobicContact CB-CZ 3.41Å; P45-F47 VanDerWaalsContact CB-CZ 3.41Å; P45-F47 HydrophobicContact CG-CE1 3.75Å; P45-F47 HydrophobicContact CG-CE2 4.49Å; P45-F47 HydrophobicContact CG-CZ 3.72Å; P45-F47 PolarHBondContact O-N 2.78Å; P45-F47 VanDerWaalsContact O-N 3.15Å; P45-N48 WeakPolarHBondContact O-CB 3.5Å; P45-N48 PolarHBondContact O-N 3.01Å
46	T	73.9	Confident	65.9	Low	12 Å²	12	80.7 Å²	80.7	7%	0.074	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	-175.3	-61	0	0	0	0	111.9	H44 N48 K49 Q115 E118 E122	H44-T46 PolarHBondContact O-N 3.13Å; T46-N48 PolarHBondContact O-N 3.42Å; T46-N48 VanDerWaalsContact O-N 3.16Å; T46-K49 HydrophobicContact CG2-CD 4.27Å; T46-K49 VanDerWaalsContact O-CB 3.29Å; T46-K49 WeakPolarHBondContact O-CB 3.45Å; T46-K49 PolarHBondContact O-N 3.45Å; T46-Q115 HydrophobicContact CG2-CB 4.07Å; T46-Q115 VanDerWaalsContact CG2-O 3.25Å; T46-Q115 WeakPolarHBondContact CG2-O 3.33Å; T46-E118 WeakPolarHBondContact CB-OE2 3.3Å; T46-E118 HydrophobicContact CG2-CB 4.02Å; T46-E118 HydrophobicContact CG2-CG 4.04Å; T46-E118 WeakPolarHBondContact CG2-OE2 3.46Å; T46-E118 PolarHBondContact OG1-OE2 2.66Å; T46-E122 WeakPolarHBondContact CA-OE2 3.32Å; T46-E122 PolarHBondContact N-OE2 2.95Å
47	F	73.7	Confident	69.3	Low	20 Å²	20	73.9 Å²	73.9	9%	0.088	39%	0.386	C	S	.	.	H	α-helix	trans	-56.7	-30.4	173.8	63.8	-109.1	0	0	0	114.2	P45 K49 I50 T51 E122 T403	P45-F47 HydrophobicContact CB-CD1 3.43Å; P45-F47 VanDerWaalsContact CB-CD1 3.43Å; P45-F47 HydrophobicContact CB-CD2 4.36Å; P45-F47 HydrophobicContact CB-CE1 3.08Å; P45-F47 HydrophobicContact CB-CE2 4.03Å; P45-F47 HydrophobicContact CB-CG 4.08Å; P45-F47 HydrophobicContact CB-CZ 3.41Å; P45-F47 VanDerWaalsContact CB-CZ 3.41Å; P45-F47 HydrophobicContact CG-CE1 3.75Å; P45-F47 HydrophobicContact CG-CE2 4.49Å; P45-F47 HydrophobicContact CG-CZ 3.72Å; P45-F47 PolarHBondContact O-N 2.78Å; P45-F47 VanDerWaalsContact O-N 3.15Å; F47-K49 PolarHBondContact O-N 3.2Å; F47-K49 VanDerWaalsContact O-N 3.15Å; F47-I50 VanDerWaalsContact O-CG1 3.3Å; F47-I50 WeakPolarHBondContact O-CG1 3.34Å; F47-I50 PolarHBondContact O-N 2.96Å; F47-I50 VanDerWaalsContact O-N 3.12Å; F47-T51 PolarHBondContact O-N 3.01Å; F47-T51 VanDerWaalsContact O-N 3.15Å; F47-T51 PolarHBondContact O-OG1 3.46Å; F47-E122 HydrophobicContact CB-CB 4.3Å; F47-E122 HydrophobicContact CD1-CB 3.91Å; F47-E122 VanDerWaalsContact CD1-OE2 3.3Å; F47-E122 WeakPolarHBondContact CD1-OE2 3.37Å; F47-E122 PolarHBondContact N-OE2 2.95Å; F47-T403 HydrophobicContact CB-CG2 4.42Å; F47-T403 HydrophobicContact CD1-CG2 4.14Å; F47-T403 HydrophobicContact CD2-CG2 3.68Å; F47-T403 HydrophobicContact CE1-CG2 4.27Å; F47-T403 VanDerWaalsContact CE2-CA 3.49Å; F47-T403 HydrophobicContact CE2-CG2 3.89Å; F47-T403 HydrophobicContact CG-CG2 3.84Å; F47-T403 HydrophobicContact CZ-CG2 4.16Å
48	N	78.8	Confident	72.5	Confident	72 Å²	72	68.1 Å²	68.1	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-23.5	177.8	-76.6	-22.2	0	0	0	112.2	P45 T46 P52	P45-N48 WeakPolarHBondContact O-CB 3.5Å; P45-N48 PolarHBondContact O-N 3.01Å; T46-N48 PolarHBondContact O-N 3.42Å; T46-N48 VanDerWaalsContact O-N 3.16Å; N48-P52 WeakPolarHBondContact O-CD 3.46Å
49	K	86.4	Confident	75.6	Confident	92 Å²	92	63.9 Å²	63.9	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-76.8	-24.7	179.8	-55.1	-176.3	-175.2	167.7	0	112.6	T46 F47 N53 I111	T46-K49 HydrophobicContact CG2-CD 4.27Å; T46-K49 VanDerWaalsContact O-CB 3.29Å; T46-K49 WeakPolarHBondContact O-CB 3.45Å; T46-K49 PolarHBondContact O-N 3.45Å; F47-K49 PolarHBondContact O-N 3.2Å; F47-K49 VanDerWaalsContact O-N 3.15Å; K49-N53 PolarHBondContact O-OD1 3.08Å; K49-I111 HydrophobicContact CB-CD1 4.31Å
50	I	93.6	Very high	78.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-101.7	-18.8	-179	68.7	162.6	0	0	0	113.3	F47 N53 L54 F106 I111 F120	F47-I50 VanDerWaalsContact O-CG1 3.3Å; F47-I50 WeakPolarHBondContact O-CG1 3.34Å; F47-I50 PolarHBondContact O-N 2.96Å; F47-I50 VanDerWaalsContact O-N 3.12Å; I50-N53 WeakPolarHBondContact O-CB 3.39Å; I50-N53 PolarHBondContact O-N 3.46Å; I50-N53 VanDerWaalsContact O-N 3.11Å; I50-L54 HydrophobicContact CD1-CD1 4.07Å; I50-L54 HydrophobicContact CG1-CD1 4.25Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 3.36Å; I50-F106 HydrophobicContact CB-CE1 3.78Å; I50-F106 HydrophobicContact CB-CZ 4Å; I50-F106 HydrophobicContact CG2-CE1 3.72Å; I50-F106 HydrophobicContact CG2-CZ 4.15Å; I50-I111 HydrophobicContact CG2-CD1 4.14Å; I50-F120 HydrophobicContact CD1-CD1 4.14Å; I50-F120 HydrophobicContact CD1-CD2 4.09Å; I50-F120 HydrophobicContact CD1-CE1 4.32Å; I50-F120 HydrophobicContact CD1-CE2 4.26Å; I50-F120 HydrophobicContact CD1-CG 4.02Å; I50-F120 HydrophobicContact CD1-CZ 4.37Å
51	T	93.1	Very high	81.7	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-42.9	-178.7	-68.4	0	0	0	0	114.1	F47 N53 L54 A55 T403 K404 S405	F47-T51 PolarHBondContact O-N 3.01Å; F47-T51 VanDerWaalsContact O-N 3.15Å; F47-T51 PolarHBondContact O-OG1 3.46Å; T51-N53 VanDerWaalsContact C-N 3.31Å; T51-N53 PolarHBondContact O-N 3.43Å; T51-L54 PolarHBondContact O-N 3.4Å; T51-A55 PolarHBondContact O-N 3.25Å; T51-T403 WeakPolarHBondContact CG2-O 3.21Å; T51-T403 PolarHBondContact OG1-O 2.91Å; T51-K404 HydrophobicContact CG2-CB 4Å; T51-K404 WeakPolarHBondContact CG2-O 3.46Å; T51-S405 PolarHBondContact OG1-OG 3.23Å
52	P	94.2	Very high	84.5	Confident	53 Å²	53	42.3 Å²	42.3	34%	0.344	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-42.5	174.9	-25.1	35.7	0	0	0	112.4	N48 L54 A55 E56	N48-P52 WeakPolarHBondContact O-CD 3.46Å; P52-L54 PolarHBondContact O-N 2.89Å; P52-A55 WeakPolarHBondContact O-CB 3.39Å; P52-A55 PolarHBondContact O-N 3.36Å; P52-E56 PolarHBondContact O-N 2.8Å
53	N	96.1	Very high	87.3	Confident	32 Å²	32	38.5 Å²	38.5	17%	0.171	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.8	-51.4	79.5	0	0	0	111.2	K49 I50 T51 A55 E56 F57 N105 F106	K49-N53 PolarHBondContact O-OD1 3.08Å; I50-N53 WeakPolarHBondContact O-CB 3.39Å; I50-N53 PolarHBondContact O-N 3.46Å; I50-N53 VanDerWaalsContact O-N 3.11Å; T51-N53 VanDerWaalsContact C-N 3.31Å; T51-N53 PolarHBondContact O-N 3.43Å; N53-A55 VanDerWaalsContact C-N 3.3Å; N53-A55 PolarHBondContact O-N 3.06Å; N53-E56 PolarHBondContact O-N 3.16Å; N53-F57 WeakPolarHBondContact O-CB 3.23Å; N53-F57 PolarHBondContact O-N 3.37Å; N53-N105 PolarHBondContact ND2-O 3.22Å; N53-F106 HydrophobicContact CB-CD1 3.81Å; N53-F106 HydrophobicContact CB-CE1 3.54Å; N53-F106 HydrophobicContact CB-CZ 4.04Å
54	L	97.2	Very high	89.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-35.5	175.8	-68.7	174.7	0	0	0	112.7	I50 T51 P52 A58 V79 A82 F120 L123 P406	I50-L54 HydrophobicContact CD1-CD1 4.07Å; I50-L54 HydrophobicContact CG1-CD1 4.25Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 3.36Å; T51-L54 PolarHBondContact O-N 3.4Å; P52-L54 PolarHBondContact O-N 2.89Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 2.84Å; L54-V79 HydrophobicContact CD1-CG2 4.27Å; L54-A82 HydrophobicContact CD2-CB 3.5Å; L54-A82 VanDerWaalsContact CD2-CB 3.5Å; L54-F120 HydrophobicContact CD2-CE1 3.88Å; L54-F120 HydrophobicContact CD2-CZ 3.86Å; L54-L123 HydrophobicContact CD1-CD2 3.82Å; L54-P406 HydrophobicContact CB-CG 4.24Å; L54-P406 WeakPolarHBondContact O-CG 3.39Å
55	A	96.3	Very high	91.7	Very high	7 Å²	7	27.2 Å²	27.2	6%	0.058	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-46.6	174.3	0	0	0	0	0	111.7	T51 P52 N53 F57 A58 F59 H293	T51-A55 PolarHBondContact O-N 3.25Å; P52-A55 WeakPolarHBondContact O-CB 3.39Å; P52-A55 PolarHBondContact O-N 3.36Å; N53-A55 VanDerWaalsContact C-N 3.3Å; N53-A55 PolarHBondContact O-N 3.06Å; A55-F57 VanDerWaalsContact C-N 3.32Å; A55-F57 PolarHBondContact O-N 2.94Å; A55-A58 VanDerWaalsContact O-CB 3.32Å; A55-A58 WeakPolarHBondContact O-CB 3.47Å; A55-A58 PolarHBondContact O-N 3.09Å; A55-A58 VanDerWaalsContact O-N 3.16Å; A55-F59 HydrophobicContact CB-CE2 4.1Å; A55-F59 WeakPolarHBondContact O-CD2 3.28Å; A55-F59 WeakPolarHBondContact O-CE2 3.08Å; A55-F59 VanDerWaalsContact O-CG 3.31Å; A55-F59 WeakPolarHBondContact O-CG 3.38Å; A55-F59 PolarHBondContact O-N 3.38Å; A55-H293 HydrophobicContact CB-CB 3.92Å; A55-H293 VanDerWaalsContact CB-CD2 3.46Å; A55-H293 WeakPolarHBondContact CB-CD2 3.23Å
56	E	96.8	Very high	93.1	Very high	69 Å²	69	25.5 Å²	25.5	32%	0.322	13%	0.131	S	C	.	.	H	α-helix	trans	-65.3	-35.6	176.7	-67.5	-53.7	134.9	0	0	112.4	P52 N53 F59 S60 N105	P52-E56 PolarHBondContact O-N 2.8Å; N53-E56 PolarHBondContact O-N 3.16Å; E56-F59 PolarHBondContact O-N 2.97Å; E56-S60 WeakPolarHBondContact O-CB 3.42Å; E56-S60 PolarHBondContact O-N 3.45Å; E56-S60 PolarHBondContact O-OG 2.73Å; E56-N105 HydrophobicContact CB-CB 4.33Å
57	F	98.4	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-44.8	170.1	175.7	-111.2	0	0	0	111.8	N53 A55 F59 S60 L61 P78 I81 A82 L104 N105 L327 L330	N53-F57 WeakPolarHBondContact O-CB 3.23Å; N53-F57 PolarHBondContact O-N 3.37Å; A55-F57 VanDerWaalsContact C-N 3.32Å; A55-F57 PolarHBondContact O-N 2.94Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 3.11Å; F57-S60 PolarHBondContact O-N 3.33Å; F57-L61 HydrophobicContact CE1-CD2 4.13Å; F57-L61 HydrophobicContact CZ-CD2 3.88Å; F57-L61 VanDerWaalsContact O-CB 3.26Å; F57-L61 WeakPolarHBondContact O-CB 3.35Å; F57-L61 PolarHBondContact O-N 2.73Å; F57-P78 HydrophobicContact CD1-CB 4.19Å; F57-I81 HydrophobicContact CE1-CB 4.25Å; F57-I81 HydrophobicContact CE1-CG2 4.14Å; F57-I81 HydrophobicContact CZ-CB 4.43Å; F57-I81 HydrophobicContact CZ-CG2 3.83Å; F57-A82 HydrophobicContact CD1-CB 4.03Å; F57-A82 HydrophobicContact CE1-CB 4.01Å; F57-L104 HydrophobicContact CD1-CD2 4.45Å; F57-L104 HydrophobicContact CD2-CD2 3.97Å; F57-L104 HydrophobicContact CE1-CD2 4.1Å; F57-L104 HydrophobicContact CE2-CD2 3.58Å; F57-L104 HydrophobicContact CG-CD2 4.39Å; F57-L104 HydrophobicContact CZ-CD2 3.65Å; F57-N105 WeakPolarHBondContact CA-OD1 3.22Å; F57-N105 HydrophobicContact CB-CB 4.46Å; F57-N105 WeakPolarHBondContact CB-OD1 3.3Å; F57-N105 PolarHBondContact N-OD1 3.42Å; F57-L327 HydrophobicContact CE2-CD2 4.14Å; F57-L327 HydrophobicContact CZ-CD2 4.06Å; F57-L330 HydrophobicContact CE2-CD1 4.01Å
58	A	98.4	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-46.8	174.9	0	0	0	0	0	111.6	L54 A55 Y62 F76 P78 P406 M409	L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 2.84Å; A55-A58 VanDerWaalsContact O-CB 3.32Å; A55-A58 WeakPolarHBondContact O-CB 3.47Å; A55-A58 PolarHBondContact O-N 3.09Å; A55-A58 VanDerWaalsContact O-N 3.16Å; A58-Y62 WeakPolarHBondContact O-CB 3.47Å; A58-Y62 PolarHBondContact O-N 2.98Å; A58-F76 WeakPolarHBondContact O-CZ 3.49Å; A58-P78 HydrophobicContact CB-CB 3.6Å; A58-P78 HydrophobicContact CB-CG 3.33Å; A58-P406 HydrophobicContact CB-CB 4.26Å; A58-P406 HydrophobicContact CB-CG 4.03Å; A58-M409 HydrophobicContact CB-SD 4.25Å
59	F	98	Very high	95.3	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.022	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-40.4	-179.8	-56.1	-41.5	0	0	0	112.7	A55 E56 F57 Y62 R63 L291 H293 I296 M409	A55-F59 HydrophobicContact CB-CE2 4.1Å; A55-F59 WeakPolarHBondContact O-CD2 3.28Å; A55-F59 WeakPolarHBondContact O-CE2 3.08Å; A55-F59 VanDerWaalsContact O-CG 3.31Å; A55-F59 WeakPolarHBondContact O-CG 3.38Å; A55-F59 PolarHBondContact O-N 3.38Å; E56-F59 PolarHBondContact O-N 2.97Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 3.11Å; F59-Y62 PolarHBondContact O-N 3.29Å; F59-R63 WeakPolarHBondContact O-CB 3.36Å; F59-R63 VanDerWaalsContact O-CG 3.25Å; F59-R63 WeakPolarHBondContact O-CG 3.44Å; F59-R63 PolarHBondContact O-N 2.69Å; F59-L291 HydrophobicContact CD1-CB 4.46Å; F59-L291 HydrophobicContact CE1-CB 4.32Å; F59-H293 HydrophobicContact CE2-CB 4.37Å; F59-I296 HydrophobicContact CZ-CG1 4.08Å; F59-M409 HydrophobicContact CD1-CE 3.85Å; F59-M409 HydrophobicContact CD1-SD 3.99Å; F59-M409 HydrophobicContact CE1-CE 4.18Å; F59-M409 HydrophobicContact CE1-SD 4.34Å
60	S	97.6	Very high	95.4	Very high	31 Å²	31	35.1 Å²	35.1	22%	0.217	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-49.2	177.6	-60	0	0	0	0	110.8	E56 F57 R63 Q64	E56-S60 WeakPolarHBondContact O-CB 3.42Å; E56-S60 PolarHBondContact O-N 3.45Å; E56-S60 PolarHBondContact O-OG 2.73Å; F57-S60 PolarHBondContact O-N 3.33Å; S60-R63 PolarHBondContact O-N 2.99Å; S60-Q64 WeakPolarHBondContact O-CB 3.21Å; S60-Q64 PolarHBondContact O-N 3.04Å
61	L	98.3	Very high	95.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-43.7	176.5	-178.8	54.2	0	0	0	112	F57 Q64 L65 F76 I81 V326 L330	F57-L61 HydrophobicContact CE1-CD2 4.13Å; F57-L61 HydrophobicContact CZ-CD2 3.88Å; F57-L61 VanDerWaalsContact O-CB 3.26Å; F57-L61 WeakPolarHBondContact O-CB 3.35Å; F57-L61 PolarHBondContact O-N 2.73Å; L61-Q64 PolarHBondContact O-N 2.79Å; L61-L65 HydrophobicContact CD1-CD1 4.24Å; L61-L65 HydrophobicContact CD1-CG 4.3Å; L61-L65 HydrophobicContact CG-CD1 4.27Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3.25Å; L61-F76 HydrophobicContact CB-CE2 3.97Å; L61-F76 HydrophobicContact CB-CZ 4.09Å; L61-F76 HydrophobicContact CD2-CD2 3.48Å; L61-F76 VanDerWaalsContact CD2-CD2 3.48Å; L61-F76 HydrophobicContact CD2-CE2 3.39Å; L61-F76 HydrophobicContact CD2-CG 4.32Å; L61-F76 HydrophobicContact CD2-CZ 4.19Å; L61-F76 HydrophobicContact CG-CD2 4.04Å; L61-F76 HydrophobicContact CG-CE2 3.63Å; L61-F76 HydrophobicContact CG-CZ 3.9Å; L61-I81 HydrophobicContact CD2-CD1 3.71Å; L61-V326 HydrophobicContact CD1-CB 4.5Å; L61-V326 HydrophobicContact CD1-CG1 3.19Å; L61-L330 HydrophobicContact CB-CD1 4.14Å; L61-L330 HydrophobicContact CD1-CD1 4.1Å
62	Y	98.4	Very high	95.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-49.1	177.1	176.4	-88.8	0	0	0	112.1	A58 F59 Q64 L65 A66 I74 F76 E288 V395 M409 K411	A58-Y62 WeakPolarHBondContact O-CB 3.47Å; A58-Y62 PolarHBondContact O-N 2.98Å; F59-Y62 PolarHBondContact O-N 3.29Å; Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.24Å; Y62-L65 PolarHBondContact O-N 2.87Å; Y62-A66 HydrophobicContact CE1-CB 4.15Å; Y62-A66 WeakPolarHBondContact O-CB 3.29Å; Y62-A66 PolarHBondContact O-N 3.38Å; Y62-I74 HydrophobicContact CD2-CG2 4.27Å; Y62-I74 HydrophobicContact CE2-CG2 4.43Å; Y62-F76 HydrophobicContact CD2-CE1 4.22Å; Y62-E288 HydrophobicContact CE1-CB 4.12Å; Y62-E288 HydrophobicContact CE1-CG 3.73Å; Y62-E288 PolarHBondContact OH-OE1 3.29Å; Y62-V395 HydrophobicContact CE2-CG1 4.29Å; Y62-V395 WeakPolarHBondContact OH-CG2 3.39Å; Y62-M409 HydrophobicContact CD1-CE 3.82Å; Y62-M409 HydrophobicContact CD2-CE 3.59Å; Y62-M409 HydrophobicContact CD2-CG 3.91Å; Y62-M409 HydrophobicContact CD2-SD 3.93Å; Y62-M409 HydrophobicContact CE1-CE 4.36Å; Y62-M409 HydrophobicContact CE2-CE 4.12Å; Y62-M409 HydrophobicContact CG-CE 3.42Å; Y62-M409 VanDerWaalsContact CG-CE 3.42Å; Y62-M409 HydrophobicContact CG-CG 4.46Å; Y62-M409 HydrophobicContact CG-SD 3.87Å; Y62-K411 HydrophobicContact CE2-CB 4.07Å; Y62-K411 WeakPolarHBondContact OH-CB 3.49Å; Y62-K411 WeakPolarHBondContact OH-CD 3.24Å
63	R	96.6	Very high	95.5	Very high	68 Å²	68	39.5 Å²	39.5	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-40.2	-180	-71.3	172.1	-170.9	141.8	1.1	110.9	F59 S60 L65 A66 H67 L291	F59-R63 WeakPolarHBondContact O-CB 3.36Å; F59-R63 VanDerWaalsContact O-CG 3.25Å; F59-R63 WeakPolarHBondContact O-CG 3.44Å; F59-R63 PolarHBondContact O-N 2.69Å; S60-R63 PolarHBondContact O-N 2.99Å; R63-L65 PolarHBondContact O-N 3.27Å; R63-A66 PolarHBondContact O-N 2.84Å; R63-H67 VanDerWaalsContact O-CG 3.26Å; R63-H67 PolarHBondContact O-N 2.84Å; R63-H67 PolarHBondContact O-ND1 3.18Å; R63-L291 PolarHBondContact NH2-O 2.83Å
64	Q	96.8	Very high	95.6	Very high	45 Å²	45	38.3 Å²	38.3	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-45.9	175.4	-175.3	59.2	22.6	0	0	111.9	S60 L61 Y62 H67 Q68 Q329 L330	S60-Q64 WeakPolarHBondContact O-CB 3.21Å; S60-Q64 PolarHBondContact O-N 3.04Å; L61-Q64 PolarHBondContact O-N 2.79Å; Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.24Å; Q64-H67 PolarHBondContact O-N 2.95Å; Q64-Q68 WeakPolarHBondContact O-CG 3.29Å; Q64-Q68 PolarHBondContact O-N 3.19Å; Q64-Q329 HydrophobicContact CG-CB 4.06Å; Q64-Q329 VanDerWaalsContact NE2-CB 3.28Å; Q64-L330 HydrophobicContact CB-CD2 4.25Å; Q64-L330 HydrophobicContact CG-CD2 4.49Å
65	L	96.9	Very high	95.6	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-39.8	177.4	-66.7	174.3	0	0	0	112.3	L61 Y62 R63 H67 Q68 S69 I74 F76 Y321 V326	L61-L65 HydrophobicContact CD1-CD1 4.24Å; L61-L65 HydrophobicContact CD1-CG 4.3Å; L61-L65 HydrophobicContact CG-CD1 4.27Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3.25Å; Y62-L65 PolarHBondContact O-N 2.87Å; R63-L65 PolarHBondContact O-N 3.27Å; L65-H67 VanDerWaalsContact C-N 3.29Å; L65-H67 PolarHBondContact O-N 3.46Å; L65-Q68 WeakPolarHBondContact O-CB 3.48Å; L65-Q68 PolarHBondContact O-N 3.32Å; L65-Q68 VanDerWaalsContact O-N 3.14Å; L65-S69 PolarHBondContact O-N 2.85Å; L65-I74 HydrophobicContact CB-CD1 4.08Å; L65-I74 HydrophobicContact CB-CG2 4.23Å; L65-I74 HydrophobicContact CD1-CG2 4.02Å; L65-F76 HydrophobicContact CD1-CD1 3.7Å; L65-F76 HydrophobicContact CD1-CE1 3.93Å; L65-F76 HydrophobicContact CD1-CG 4.34Å; L65-Y321 HydrophobicContact CD1-CD1 4.24Å; L65-Y321 HydrophobicContact CD1-CE1 3.73Å; L65-Y321 HydrophobicContact CD1-CE2 4.37Å; L65-Y321 HydrophobicContact CD2-CD1 3.64Å; L65-Y321 HydrophobicContact CD2-CE1 3.53Å; L65-Y321 HydrophobicContact CG-CE1 4.21Å; L65-V326 HydrophobicContact CD2-CG1 3.85Å; L65-V326 HydrophobicContact CD2-CG2 3.95Å; L65-V326 HydrophobicContact CG-CG1 4.37Å
66	A	95.1	Very high	95.7	Very high	14 Å²	14	38 Å²	38	12%	0.116	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-31.6	178.2	0	0	0	0	0	112.8	Y62 R63 S69 I74	Y62-A66 HydrophobicContact CE1-CB 4.15Å; Y62-A66 WeakPolarHBondContact O-CB 3.29Å; Y62-A66 PolarHBondContact O-N 3.38Å; R63-A66 PolarHBondContact O-N 2.84Å; A66-S69 CarbonylContact O-C 3.56Å; A66-I74 HydrophobicContact CB-CD1 3.96Å
67	H	93.1	Very high	95.8	Very high	134 Å²	134	34.7 Å²	34.7	62%	0.62	19%	0.185	S	C	*	.	H	α-helix	trans	-71.6	-27.3	173	-70	152.3	0	0	0	113.5	R63 Q64 L65	R63-H67 VanDerWaalsContact O-CG 3.26Å; R63-H67 PolarHBondContact O-N 2.84Å; R63-H67 PolarHBondContact O-ND1 3.18Å; Q64-H67 PolarHBondContact O-N 2.95Å; L65-H67 VanDerWaalsContact C-N 3.29Å; L65-H67 PolarHBondContact O-N 3.46Å
68	Q	91.3	Very high	95.8	Very high	104 Å²	104	34.7 Å²	34.7	49%	0.486	19%	0.185	S	C	.	.	H	α-helix	trans	-72.7	-38.1	178.7	-70.3	175	-4.4	0	0	112.4	Q64 L65	Q64-Q68 WeakPolarHBondContact O-CG 3.29Å; Q64-Q68 PolarHBondContact O-N 3.19Å; L65-Q68 WeakPolarHBondContact O-CB 3.48Å; L65-Q68 PolarHBondContact O-N 3.32Å; L65-Q68 VanDerWaalsContact O-N 3.14Å
69	S	88.9	Confident	95.7	Very high	33 Å²	33	34.9 Å²	34.9	23%	0.231	19%	0.187	C	C	.	.			trans	-152.8	126.9	176.9	-176.3	0	0	0	0	111.3	L65 A66 S71 T72	L65-S69 PolarHBondContact O-N 2.85Å; A66-S69 CarbonylContact O-C 3.56Å; S69-S71 PolarHBondContact OG-N 2.89Å; S69-S71 PolarHBondContact OG-OG 2.87Å; S69-T72 PolarHBondContact OG-N 3.38Å; S69-T72 PolarHBondContact OG-OG1 2.87Å
70	N	88.6	Confident	95.6	Very high	128 Å²	128	34.8 Å²	34.8	68%	0.684	19%	0.187	S	C	*	.	S	Bend	trans	-91.7	-9.6	174.7	65.2	-12.9	0	0	0	113.5
71	S	90.2	Very high	95.6	Very high	75 Å²	75	33.4 Å²	33.4	52%	0.524	18%	0.177	S	C	.	.	S	Bend	trans	-108.2	2	-174.9	57.7	0	0	0	0	113.9	S69	S69-S71 PolarHBondContact OG-N 2.89Å; S69-S71 PolarHBondContact OG-OG 2.87Å
72	T	94.8	Very high	95.7	Very high	57 Å²	57	33.3 Å²	33.3	35%	0.35	18%	0.176	S	C	.	.	S	Bend	trans	-111.8	141.9	-179.3	-47.4	0	0	0	0	110.3	S69	S69-T72 PolarHBondContact OG-N 3.38Å; S69-T72 PolarHBondContact OG-OG1 2.87Å
73	N	97	Very high	95.6	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.091	18%	0.177	C	C	.	.			trans	-56.8	141.9	167.4	-71.8	-16.6	0	0	0	110.3	I317 K411 V413 N414 Q417	N73-I317 HydrophobicContact CB-CD1 3.85Å; N73-I317 HydrophobicContact CB-CG1 4.42Å; N73-K411 WeakPolarHBondContact CA-O 3.36Å; N73-V413 PolarHBondContact OD1-N 3.24Å; N73-N414 PolarHBondContact ND2-O 3.12Å; N73-N414 PolarHBondContact OD1-N 3Å; N73-N414 PolarHBondContact OD1-O 3.37Å; N73-Q417 PolarHBondContact ND2-O 3.44Å; N73-Q417 VanDerWaalsContact ND2-O 3.13Å
74	I	98.1	Very high	95.7	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132	176.1	-62.4	175	0	0	0	107.2	Y62 L65 A66 F76 G410 K411	Y62-I74 HydrophobicContact CD2-CG2 4.27Å; Y62-I74 HydrophobicContact CE2-CG2 4.43Å; L65-I74 HydrophobicContact CB-CD1 4.08Å; L65-I74 HydrophobicContact CB-CG2 4.23Å; L65-I74 HydrophobicContact CD1-CG2 4.02Å; A66-I74 HydrophobicContact CB-CD1 3.96Å; I74-F76 HydrophobicContact CG2-CD1 3.91Å; I74-F76 HydrophobicContact CG2-CE1 4.01Å; I74-G410 CarbonylContact O-C 3.48Å; I74-G410 WeakPolarHBondContact O-CA 3.28Å; I74-K411 HydrophobicContact CB-CB 4.27Å; I74-K411 PolarHBondContact N-O 3.39Å; I74-K411 PolarHBondContact O-N 3.02Å
75	F	98	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	113	175.4	-176.5	-114.6	0	0	0	112.3	I317 G319 Y321 A360 L362 F396 F408	F75-I317 HydrophobicContact CB-CD1 3.78Å; F75-I317 HydrophobicContact CB-CG1 3.81Å; F75-I317 HydrophobicContact CB-CG2 4.42Å; F75-I317 HydrophobicContact CD1-CG2 4.15Å; F75-I317 HydrophobicContact CD2-CG2 4.22Å; F75-I317 HydrophobicContact CG-CD1 4.42Å; F75-I317 HydrophobicContact CG-CG1 4.28Å; F75-I317 HydrophobicContact CG-CG2 3.99Å; F75-G319 VanDerWaalsContact O-CA 3.28Å; F75-G319 WeakPolarHBondContact O-CA 3.21Å; F75-Y321 PolarHBondContact N-OH 2.82Å; F75-Y321 VanDerWaalsContact N-OH 3.11Å; F75-Y321 WeakPolarHBondContact O-CE2 3.47Å; F75-A360 HydrophobicContact CD1-CB 3.68Å; F75-A360 HydrophobicContact CE1-CB 3.47Å; F75-A360 VanDerWaalsContact CE1-CB 3.47Å; F75-A360 HydrophobicContact CZ-CB 4.31Å; F75-L362 HydrophobicContact CD1-CB 4.37Å; F75-L362 HydrophobicContact CD2-CD2 4.41Å; F75-L362 HydrophobicContact CE1-CB 3.5Å; F75-L362 HydrophobicContact CE2-CB 3.88Å; F75-L362 HydrophobicContact CE2-CD2 3.65Å; F75-L362 HydrophobicContact CE2-CG 4.41Å; F75-L362 HydrophobicContact CZ-CB 3.23Å; F75-L362 HydrophobicContact CZ-CD2 3.89Å; F75-L362 HydrophobicContact CZ-CG 4.16Å; F75-F396 AromaticContact CD2-CE2 3.98Å; F75-F396 HydrophobicContact CD2-CE2 3.98Å; F75-F396 AromaticContact CD2-CZ 3.52Å; F75-F396 HydrophobicContact CD2-CZ 3.52Å; F75-F396 AromaticContact CE2-CE2 3.78Å; F75-F396 HydrophobicContact CE2-CE2 3.78Å; F75-F396 AromaticContact CE2-CZ 3.78Å; F75-F396 HydrophobicContact CE2-CZ 3.78Å; F75-F408 HydrophobicContact CE1-CD1 4.06Å; F75-F408 HydrophobicContact CE1-CE1 4.33Å; F75-F408 HydrophobicContact CE2-CB 3.65Å; F75-F408 AromaticContact CE2-CD1 3.79Å; F75-F408 HydrophobicContact CE2-CD1 3.79Å; F75-F408 AromaticContact CE2-CG 3.92Å; F75-F408 HydrophobicContact CE2-CG 3.92Å; F75-F408 HydrophobicContact CZ-CB 4.01Å; F75-F408 AromaticContact CZ-CD1 3.24Å; F75-F408 HydrophobicContact CZ-CD1 3.24Å; F75-F408 AromaticContact CZ-CE1 3.79Å; F75-F408 HydrophobicContact CZ-CE1 3.79Å; F75-F408 AromaticContact CZ-CG 3.73Å; F75-F408 HydrophobicContact CZ-CG 3.73Å
76	F	98.4	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.7	179.9	65.2	-81.7	0	0	0	111	A58 L61 Y62 L65 I74 P78 I81 Y321 F408 M409	A58-F76 WeakPolarHBondContact O-CZ 3.49Å; L61-F76 HydrophobicContact CB-CE2 3.97Å; L61-F76 HydrophobicContact CB-CZ 4.09Å; L61-F76 HydrophobicContact CD2-CD2 3.48Å; L61-F76 VanDerWaalsContact CD2-CD2 3.48Å; L61-F76 HydrophobicContact CD2-CE2 3.39Å; L61-F76 HydrophobicContact CD2-CG 4.32Å; L61-F76 HydrophobicContact CD2-CZ 4.19Å; L61-F76 HydrophobicContact CG-CD2 4.04Å; L61-F76 HydrophobicContact CG-CE2 3.63Å; L61-F76 HydrophobicContact CG-CZ 3.9Å; Y62-F76 HydrophobicContact CD2-CE1 4.22Å; L65-F76 HydrophobicContact CD1-CD1 3.7Å; L65-F76 HydrophobicContact CD1-CE1 3.93Å; L65-F76 HydrophobicContact CD1-CG 4.34Å; I74-F76 HydrophobicContact CG2-CD1 3.91Å; I74-F76 HydrophobicContact CG2-CE1 4.01Å; F76-P78 HydrophobicContact CD2-CG 4.12Å; F76-P78 HydrophobicContact CE2-CB 4.29Å; F76-P78 HydrophobicContact CE2-CG 3.65Å; F76-P78 HydrophobicContact CZ-CG 4.47Å; F76-I81 HydrophobicContact CB-CD1 4.4Å; F76-I81 HydrophobicContact CD2-CD1 4.2Å; F76-Y321 HydrophobicContact CB-CD2 4.21Å; F76-Y321 HydrophobicContact CB-CE2 3.8Å; F76-F408 WeakPolarHBondContact O-CA 3.46Å; F76-M409 HydrophobicContact CE1-CB 4.17Å; F76-M409 HydrophobicContact CZ-CB 3.99Å; F76-M409 HydrophobicContact CZ-SD 4.48Å; F76-M409 PolarHBondContact N-O 3.22Å; F76-M409 VanDerWaalsContact N-O 3.08Å; F76-M409 PolarHBondContact O-N 3.26Å
77	S	98.3	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.			trans	-110.6	107.7	172.7	178	0	0	0	0	111.4	S80 I81 I212 H358 L407	S77-S80 PolarHBondContact O-N 3.26Å; S77-S80 WeakPolarHBondContact OG-CB 3.49Å; S77-S80 PolarHBondContact OG-N 2.95Å; S77-I81 WeakPolarHBondContact O-CG1 3.36Å; S77-I81 PolarHBondContact O-N 3.37Å; S77-I81 VanDerWaalsContact O-N 3.14Å; S77-I212 WeakPolarHBondContact OG-CD1 3.49Å; S77-H358 PolarHBondContact N-NE2 3.16Å; S77-L407 VanDerWaalsContact CA-O 3.32Å; S77-L407 WeakPolarHBondContact CA-O 3.16Å; S77-L407 WeakPolarHBondContact CB-O 3.07Å; S77-L407 PolarHBondContact OG-O 2.76Å
78	P	98.1	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-49.1	175.7	-18.1	25.9	0	0	0	112	F57 A58 F76 S80 I81 A82 P406 M409	F57-P78 HydrophobicContact CD1-CB 4.19Å; A58-P78 HydrophobicContact CB-CB 3.6Å; A58-P78 HydrophobicContact CB-CG 3.33Å; F76-P78 HydrophobicContact CD2-CG 4.12Å; F76-P78 HydrophobicContact CE2-CB 4.29Å; F76-P78 HydrophobicContact CE2-CG 3.65Å; F76-P78 HydrophobicContact CZ-CG 4.47Å; P78-S80 VanDerWaalsContact C-N 3.34Å; P78-S80 PolarHBondContact O-N 3.5Å; P78-I81 PolarHBondContact O-N 2.93Å; P78-A82 VanDerWaalsContact O-CB 3.24Å; P78-A82 WeakPolarHBondContact O-CB 3.48Å; P78-A82 PolarHBondContact O-N 3.26Å; P78-P406 HydrophobicContact CB-CG 4.11Å; P78-P406 WeakPolarHBondContact CD-O 3.39Å; P78-P406 HydrophobicContact CG-CB 4.18Å; P78-P406 HydrophobicContact CG-CG 4.25Å; P78-M409 HydrophobicContact CG-CB 4.39Å
79	V	96.4	Very high	96.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-44.7	179.6	164.3	0	0	0	0	111.9	L54 T83 L123 L127 P406	L54-V79 HydrophobicContact CD1-CG2 4.27Å; V79-T83 VanDerWaalsContact O-CB 3.24Å; V79-T83 WeakPolarHBondContact O-CB 3.34Å; V79-T83 PolarHBondContact O-N 3.34Å; V79-T83 PolarHBondContact O-OG1 2.96Å; V79-L123 HydrophobicContact CG1-CD2 3.7Å; V79-L123 HydrophobicContact CG1-CG 4.33Å; V79-L123 HydrophobicContact CG2-CD2 4.2Å; V79-L127 HydrophobicContact CG1-CD1 3.82Å; V79-P406 VanDerWaalsContact CG2-O 3.23Å; V79-P406 WeakPolarHBondContact CG2-O 3.41Å; V79-P406 PolarHBondContact N-O 3.44Å
80	S	96.8	Very high	97	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.028	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-46.7	-178.3	-165.8	0	0	0	0	111.9	S77 P78 A84 T138 N210	S77-S80 PolarHBondContact O-N 3.26Å; S77-S80 WeakPolarHBondContact OG-CB 3.49Å; S77-S80 PolarHBondContact OG-N 2.95Å; P78-S80 VanDerWaalsContact C-N 3.34Å; P78-S80 PolarHBondContact O-N 3.5Å; S80-A84 PolarHBondContact O-N 3.45Å; S80-A84 VanDerWaalsContact O-N 3.12Å; S80-T138 PolarHBondContact OG-OG1 2.87Å; S80-N210 WeakPolarHBondContact CB-OD1 3.38Å; S80-N210 PolarHBondContact OG-ND2 2.91Å; S80-N210 PolarHBondContact OG-OD1 2.82Å
81	I	98.5	Very high	97.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-65.2	-48.5	178.2	-64.7	167.5	0	0	0	110.5	F57 L61 F76 S77 P78 T83 A84 F85 L323 L327 H358	F57-I81 HydrophobicContact CE1-CB 4.25Å; F57-I81 HydrophobicContact CE1-CG2 4.14Å; F57-I81 HydrophobicContact CZ-CB 4.43Å; F57-I81 HydrophobicContact CZ-CG2 3.83Å; L61-I81 HydrophobicContact CD2-CD1 3.71Å; F76-I81 HydrophobicContact CB-CD1 4.4Å; F76-I81 HydrophobicContact CD2-CD1 4.2Å; S77-I81 WeakPolarHBondContact O-CG1 3.36Å; S77-I81 PolarHBondContact O-N 3.37Å; S77-I81 VanDerWaalsContact O-N 3.14Å; P78-I81 PolarHBondContact O-N 2.93Å; I81-T83 VanDerWaalsContact C-N 3.33Å; I81-T83 PolarHBondContact O-N 3.07Å; I81-A84 WeakPolarHBondContact O-CB 3.32Å; I81-A84 PolarHBondContact O-N 2.86Å; I81-F85 HydrophobicContact CG2-CD2 4.34Å; I81-F85 WeakPolarHBondContact O-CD2 3.37Å; I81-F85 PolarHBondContact O-N 3.19Å; I81-F85 VanDerWaalsContact O-N 3.12Å; I81-L323 HydrophobicContact CD1-CD2 3.96Å; I81-L323 HydrophobicContact CG1-CD2 4.17Å; I81-L323 HydrophobicContact CG2-CD1 4.41Å; I81-L323 HydrophobicContact CG2-CD2 4.17Å; I81-L327 HydrophobicContact CG2-CD1 4.26Å; I81-L327 HydrophobicContact CG2-CD2 4.26Å; I81-H358 HydrophobicContact CD1-CB 4.23Å; I81-H358 HydrophobicContact CG1-CB 4.07Å
82	A	98.4	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62	-41.6	-178.4	0	0	0	0	0	111.6	L54 F57 P78 A84 F85 A86 L104 F120	L54-A82 HydrophobicContact CD2-CB 3.5Å; L54-A82 VanDerWaalsContact CD2-CB 3.5Å; F57-A82 HydrophobicContact CD1-CB 4.03Å; F57-A82 HydrophobicContact CE1-CB 4.01Å; P78-A82 VanDerWaalsContact O-CB 3.24Å; P78-A82 WeakPolarHBondContact O-CB 3.48Å; P78-A82 PolarHBondContact O-N 3.26Å; A82-A84 PolarHBondContact O-N 2.93Å; A82-F85 PolarHBondContact O-N 3.35Å; A82-A86 VanDerWaalsContact O-CB 3.26Å; A82-A86 WeakPolarHBondContact O-CB 3.28Å; A82-A86 PolarHBondContact O-N 3.37Å; A82-L104 HydrophobicContact CB-CD1 4.39Å; A82-L104 HydrophobicContact CB-CD2 4.03Å; A82-L104 WeakPolarHBondContact O-CD1 3.37Å; A82-F120 HydrophobicContact CB-CE1 4.03Å; A82-F120 HydrophobicContact CB-CZ 3.94Å
83	T	97.6	Very high	98	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-44.1	175.4	-58.9	0	0	0	0	111.5	V79 I81 F85 A86 M87 F120 L124 Y162	V79-T83 VanDerWaalsContact O-CB 3.24Å; V79-T83 WeakPolarHBondContact O-CB 3.34Å; V79-T83 PolarHBondContact O-N 3.34Å; V79-T83 PolarHBondContact O-OG1 2.96Å; I81-T83 VanDerWaalsContact C-N 3.33Å; I81-T83 PolarHBondContact O-N 3.07Å; T83-F85 VanDerWaalsContact C-N 3.31Å; T83-F85 PolarHBondContact O-N 3.1Å; T83-A86 PolarHBondContact O-N 3.4Å; T83-M87 VanDerWaalsContact O-CB 3.32Å; T83-M87 WeakPolarHBondContact O-CB 3.33Å; T83-M87 PolarHBondContact O-N 2.79Å; T83-F120 HydrophobicContact CG2-CD1 4.45Å; T83-F120 WeakPolarHBondContact OG1-CD1 3.24Å; T83-L124 HydrophobicContact CG2-CD1 3.79Å; T83-L124 HydrophobicContact CG2-CD2 4.02Å; T83-L124 HydrophobicContact CG2-CG 4.09Å; T83-Y162 HydrophobicContact CG2-CD1 3.74Å; T83-Y162 HydrophobicContact CG2-CE1 4Å
84	A	98	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-39.9	-179.5	0	0	0	0	0	112.3	S80 I81 A82 L88 N140 L208 N210	S80-A84 PolarHBondContact O-N 3.45Å; S80-A84 VanDerWaalsContact O-N 3.12Å; I81-A84 WeakPolarHBondContact O-CB 3.32Å; I81-A84 PolarHBondContact O-N 2.86Å; A82-A84 PolarHBondContact O-N 2.93Å; A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 PolarHBondContact O-N 3.22Å; A84-N140 WeakPolarHBondContact CB-OD1 3.29Å; A84-L208 HydrophobicContact CB-CD1 4.41Å; A84-L208 HydrophobicContact CB-CD2 4.32Å; A84-N210 HydrophobicContact CB-CB 4.4Å
85	F	98.6	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-81.7	-34.3	-179.2	-84.5	-99.6	0	0	0	112.7	I81 A82 T83 M87 L88 S89 I100 L104 L323 L327 I332 F336 L353 A356	I81-F85 HydrophobicContact CG2-CD2 4.34Å; I81-F85 WeakPolarHBondContact O-CD2 3.37Å; I81-F85 PolarHBondContact O-N 3.19Å; I81-F85 VanDerWaalsContact O-N 3.12Å; A82-F85 PolarHBondContact O-N 3.35Å; T83-F85 VanDerWaalsContact C-N 3.31Å; T83-F85 PolarHBondContact O-N 3.1Å; F85-M87 VanDerWaalsContact C-N 3.28Å; F85-M87 PolarHBondContact O-N 3.23Å; F85-L88 HydrophobicContact CD1-CD2 4.27Å; F85-L88 HydrophobicContact CE1-CD2 4.22Å; F85-L88 WeakPolarHBondContact O-CB 3.42Å; F85-L88 PolarHBondContact O-N 2.82Å; F85-S89 PolarHBondContact O-N 3.14Å; F85-I100 HydrophobicContact CB-CG2 3.97Å; F85-I100 HydrophobicContact CD1-CG2 4.32Å; F85-I100 WeakPolarHBondContact O-CG2 3.38Å; F85-L104 HydrophobicContact CB-CD1 3.99Å; F85-L104 HydrophobicContact CB-CD2 4.4Å; F85-L323 HydrophobicContact CE2-CB 4.36Å; F85-L323 HydrophobicContact CE2-CD1 3.62Å; F85-L323 HydrophobicContact CZ-CB 4.33Å; F85-L323 HydrophobicContact CZ-CD1 4.34Å; F85-L327 HydrophobicContact CD1-CD1 3.96Å; F85-L327 HydrophobicContact CD2-CD1 3.8Å; F85-L327 HydrophobicContact CE1-CD1 3.62Å; F85-L327 HydrophobicContact CE2-CD1 3.48Å; F85-L327 VanDerWaalsContact CE2-CD1 3.48Å; F85-L327 HydrophobicContact CG-CD1 4.05Å; F85-L327 HydrophobicContact CZ-CD1 3.38Å; F85-I332 HydrophobicContact CD1-CG2 4.37Å; F85-I332 HydrophobicContact CE1-CG2 4.37Å; F85-F336 HydrophobicContact CE1-CE2 4.26Å; F85-F336 AromaticContact CE1-CZ 3.67Å; F85-F336 HydrophobicContact CE1-CZ 3.67Å; F85-F336 HydrophobicContact CZ-CE1 4.41Å; F85-F336 AromaticContact CZ-CZ 3.74Å; F85-F336 HydrophobicContact CZ-CZ 3.74Å; F85-L353 HydrophobicContact CE1-CD2 4.4Å; F85-L353 HydrophobicContact CZ-CD2 4.26Å; F85-A356 HydrophobicContact CZ-CB 4.21Å
86	A	98.3	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-32.9	169	0	0	0	0	0	112.2	A82 T83 S89 L104 H117 F120 Y162	A82-A86 VanDerWaalsContact O-CB 3.26Å; A82-A86 WeakPolarHBondContact O-CB 3.28Å; A82-A86 PolarHBondContact O-N 3.37Å; T83-A86 PolarHBondContact O-N 3.4Å; A86-S89 PolarHBondContact O-OG 2.85Å; A86-L104 HydrophobicContact CB-CD1 4.29Å; A86-H117 PolarHBondContact O-CE1 3.18Å; A86-F120 HydrophobicContact CB-CD2 3.58Å; A86-F120 HydrophobicContact CB-CE2 3.38Å; A86-F120 HydrophobicContact CB-CG 4.25Å; A86-F120 HydrophobicContact CB-CZ 3.9Å; A86-Y162 PolarHBondContact O-OH 3.34Å
87	M	98.2	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.3	-45.3	169.6	179.7	-169.6	65.5	0	0	111.2	T83 F85 S89 L90 N140 L142 V158 Y162 S164	T83-M87 VanDerWaalsContact O-CB 3.32Å; T83-M87 WeakPolarHBondContact O-CB 3.33Å; T83-M87 PolarHBondContact O-N 2.79Å; F85-M87 VanDerWaalsContact C-N 3.28Å; F85-M87 PolarHBondContact O-N 3.23Å; M87-S89 VanDerWaalsContact C-N 3.25Å; M87-S89 PolarHBondContact O-N 2.88Å; M87-L90 WeakPolarHBondContact O-CB 3.37Å; M87-L90 PolarHBondContact O-N 2.72Å; M87-N140 HydrophobicContact CE-CB 4.09Å; M87-L142 HydrophobicContact CE-CD1 3.86Å; M87-L142 HydrophobicContact CE-CD2 3.81Å; M87-L142 HydrophobicContact CE-CG 3.87Å; M87-V158 HydrophobicContact CG-CG2 3.98Å; M87-V158 HydrophobicContact SD-CB 4.26Å; M87-V158 HydrophobicContact SD-CG1 3.83Å; M87-V158 HydrophobicContact SD-CG2 4.04Å; M87-Y162 HydrophobicContact CB-CD1 3.63Å; M87-Y162 HydrophobicContact CB-CD2 3.9Å; M87-Y162 HydrophobicContact CB-CE1 3.84Å; M87-Y162 HydrophobicContact CB-CE2 4.11Å; M87-Y162 HydrophobicContact CB-CG 3.64Å; M87-Y162 HydrophobicContact CG-CD1 4.16Å; M87-Y162 HydrophobicContact CG-CD2 3.79Å; M87-Y162 HydrophobicContact CG-CE2 4.38Å; M87-Y162 HydrophobicContact CG-CG 3.64Å; M87-Y162 HydrophobicContact SD-CG 4.28Å; M87-S164 WeakPolarHBondContact SD-CB 3.31Å
88	L	98.5	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-33.8	179.6	-179.5	63.9	0	0	0	112.1	A84 F85 L90 G91 I100 F206 V335 L342 L353	A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 PolarHBondContact O-N 3.22Å; F85-L88 HydrophobicContact CD1-CD2 4.27Å; F85-L88 HydrophobicContact CE1-CD2 4.22Å; F85-L88 WeakPolarHBondContact O-CB 3.42Å; F85-L88 PolarHBondContact O-N 2.82Å; L88-L90 PolarHBondContact O-N 3.35Å; L88-G91 PolarHBondContact O-N 2.85Å; L88-I100 HydrophobicContact CD2-CD1 4.5Å; L88-F206 HydrophobicContact CD1-CE1 3.77Å; L88-F206 HydrophobicContact CD1-CZ 3.8Å; L88-V335 HydrophobicContact CD2-CG2 3.92Å; L88-L342 HydrophobicContact CD1-CD2 4.16Å; L88-L353 HydrophobicContact CD2-CD2 3.64Å
89	S	98.5	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-30.2	-178.4	76.8	0	0	0	0	112.4	F85 A86 M87 G91 T92 H97 H117	F85-S89 PolarHBondContact O-N 3.14Å; A86-S89 PolarHBondContact O-OG 2.85Å; M87-S89 VanDerWaalsContact C-N 3.25Å; M87-S89 PolarHBondContact O-N 2.88Å; S89-G91 PolarHBondContact O-N 3.22Å; S89-G91 VanDerWaalsContact O-N 3.09Å; S89-T92 VanDerWaalsContact CA-OG1 3.29Å; S89-T92 WeakPolarHBondContact CA-OG1 3.31Å; S89-T92 PolarHBondContact O-N 3.03Å; S89-T92 PolarHBondContact O-OG1 3.48Å; S89-H97 PolarHBondContact O-CD2 3.24Å; S89-H117 PolarHBondContact OG-CE1 2.85Å
90	L	98	Very high	98.2	Very high	45 Å²	45	21.5 Å²	21.5	24%	0.236	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.1	174.1	-66.3	-179.5	0	0	0	114	M87 L88 H117 D157 L161 Y162	M87-L90 WeakPolarHBondContact O-CB 3.37Å; M87-L90 PolarHBondContact O-N 2.72Å; L88-L90 PolarHBondContact O-N 3.35Å; L90-H117 WeakPolarHBondContact CD2-NE2 3.5Å; L90-D157 HydrophobicContact CD1-CB 3.8Å; L90-L161 HydrophobicContact CD1-CD1 4.42Å; L90-Y162 HydrophobicContact CD1-CD2 4.12Å; L90-Y162 HydrophobicContact CD1-CE2 3.62Å; L90-Y162 HydrophobicContact CG-CE2 4.44Å
91	G	98	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.6	175.4	0	0	0	0	0	114.1	L88 S89 L342 G344 V345	L88-G91 PolarHBondContact O-N 2.85Å; S89-G91 PolarHBondContact O-N 3.22Å; S89-G91 VanDerWaalsContact O-N 3.09Å; G91-L342 CarbonylContact O-C 3.55Å; G91-L342 WeakPolarHBondContact O-CA 3.25Å; G91-G344 CarbonylContact O-C 3.54Å; G91-G344 VanDerWaalsContact O-CA 3.24Å; G91-G344 WeakPolarHBondContact O-CA 3.4Å; G91-G344 PolarHBondContact O-N 3Å; G91-V345 PolarHBondContact O-N 3.09Å
92	T	98.6	Very high	98.3	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	14%	0.14	C	C	.	.			trans	-114.7	164.8	-174.2	63.8	0	0	0	0	112.4	S89 T96 H97 I100 V335 D341 L342	S89-T92 VanDerWaalsContact CA-OG1 3.29Å; S89-T92 WeakPolarHBondContact CA-OG1 3.31Å; S89-T92 PolarHBondContact O-N 3.03Å; S89-T92 PolarHBondContact O-OG1 3.48Å; T92-T96 HydrophobicContact CG2-CG2 3.88Å; T92-H97 WeakPolarHBondContact OG1-CA 3.45Å; T92-H97 WeakPolarHBondContact OG1-CB 3.43Å; T92-I100 HydrophobicContact CG2-CD1 3.86Å; T92-V335 HydrophobicContact CG2-CG2 4.35Å; T92-D341 WeakPolarHBondContact CA-O 3.41Å; T92-D341 WeakPolarHBondContact CB-O 3.28Å; T92-L342 HydrophobicContact CG2-CD2 3.46Å; T92-L342 VanDerWaalsContact CG2-CD2 3.46Å; T92-L342 HydrophobicContact CG2-CG 4.19Å
93	K	98	Very high	98.3	Very high	112 Å²	112	27 Å²	27	49%	0.487	14%	0.144	S	C	.	.			trans	-139.2	167.2	175.5	-59.1	-176.2	-170.8	-77.5	0	112.3	T96 H97 D341 S343	K93-T96 WeakPolarHBondContact O-CB 3.47Å; K93-T96 PolarHBondContact O-N 2.75Å; K93-H97 PolarHBondContact O-N 3.36Å; K93-D341 PolarHBondContact N-O 3.41Å; K93-S343 VanDerWaalsContact CD-OG 3.23Å; K93-S343 WeakPolarHBondContact CD-OG 3.2Å; K93-S343 WeakPolarHBondContact CE-OG 3.13Å
94	A	97.3	Very high	98.3	Very high	61 Å²	61	26.8 Å²	26.8	50%	0.504	14%	0.143	S	C	.	.	H	α-helix	trans	49.3	-141.5	174	0	0	0	0	0	111.9	T96 H97 D98	A94-T96 PolarHBondContact O-N 2.88Å; A94-H97 WeakPolarHBondContact O-CA 3.39Å; A94-H97 VanDerWaalsContact O-CB 3.3Å; A94-H97 WeakPolarHBondContact O-CB 3.31Å; A94-H97 PolarHBondContact O-N 2.97Å; A94-D98 PolarHBondContact O-N 2.89Å
95	D	98.3	Very high	98.3	Very high	94 Å²	94	29.4 Å²	29.4	50%	0.503	16%	0.157	S	C	.	.	H	α-helix	trans	-55.7	-27.4	-177.7	-53.3	-2.9	0	0	0	114.3	E99 K334	D95-E99 WeakPolarHBondContact O-CB 3.24Å; D95-E99 WeakPolarHBondContact O-CG 3.49Å; D95-E99 PolarHBondContact O-N 3Å; D95-K334 HydrophobicContact CB-CD 3.58Å; D95-K334 IonicContact OD2-NZ 3.78Å; D95-K334 PolarHBondContact OD2-NZ 3.15Å
96	T	98.7	Very high	98.3	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-40.1	177.5	-57.6	0	0	0	0	110.7	T92 K93 A94 I100 K334 V335 D341	T92-T96 HydrophobicContact CG2-CG2 3.88Å; K93-T96 WeakPolarHBondContact O-CB 3.47Å; K93-T96 PolarHBondContact O-N 2.75Å; A94-T96 PolarHBondContact O-N 2.88Å; T96-I100 WeakPolarHBondContact O-CD1 3.19Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.17Å; T96-K334 HydrophobicContact CG2-CB 4.36Å; T96-V335 HydrophobicContact CG2-CB 3.78Å; T96-V335 HydrophobicContact CG2-CG2 4.16Å; T96-D341 PolarHBondContact OG1-N 2.76Å
97	H	98.7	Very high	98.2	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.069	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-48.8	174.3	170.3	-89.6	0	0	0	111.1	S89 T92 K93 A94 E99 I100 L101 E113	S89-H97 PolarHBondContact O-CD2 3.24Å; T92-H97 WeakPolarHBondContact OG1-CA 3.45Å; T92-H97 WeakPolarHBondContact OG1-CB 3.43Å; K93-H97 PolarHBondContact O-N 3.36Å; A94-H97 WeakPolarHBondContact O-CA 3.39Å; A94-H97 VanDerWaalsContact O-CB 3.3Å; A94-H97 WeakPolarHBondContact O-CB 3.31Å; A94-H97 PolarHBondContact O-N 2.97Å; H97-E99 PolarHBondContact O-N 2.9Å; H97-I100 PolarHBondContact O-N 3.16Å; H97-L101 WeakPolarHBondContact CE1-CD1 3.29Å; H97-L101 WeakPolarHBondContact NE2-CD1 3.5Å; H97-L101 PolarHBondContact O-N 3.34Å; H97-E113 IonicContact CE1-OE2 2.78Å; H97-E113 PolarHBondContact CE1-OE2 3.05Å; H97-E113 VanDerWaalsContact CE1-OE2 3.29Å; H97-E113 IonicContact NE2-OE1 2.62Å; H97-E113 PolarHBondContact NE2-OE1 3.35Å; H97-E113 IonicContact NE2-OE2 2.8Å
98	D	98.6	Very high	98	Very high	59 Å²	59	34.5 Å²	34.5	32%	0.316	18%	0.184	S	C	.	.	H	α-helix	trans	-67.1	-42.3	-173.8	-61.2	-11.7	0	0	0	111.3	A94 I100 L101 E102 L108	A94-D98 PolarHBondContact O-N 2.89Å; D98-I100 PolarHBondContact O-N 3.06Å; D98-L101 PolarHBondContact O-N 2.88Å; D98-E102 WeakPolarHBondContact O-CB 3.35Å; D98-E102 WeakPolarHBondContact O-CG 3.48Å; D98-E102 PolarHBondContact O-N 3.17Å; D98-L108 HydrophobicContact CB-CD1 3.82Å; D98-L108 WeakPolarHBondContact OD1-CD1 3.19Å
99	E	98.6	Very high	97.9	Very high	45 Å²	45	40.5 Å²	40.5	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-38.6	174.7	-84.5	-172.3	-167.7	0	0	112.5	D95 H97 G103 T333 K334	D95-E99 WeakPolarHBondContact O-CB 3.24Å; D95-E99 WeakPolarHBondContact O-CG 3.49Å; D95-E99 PolarHBondContact O-N 3Å; H97-E99 PolarHBondContact O-N 2.9Å; E99-G103 PolarHBondContact O-N 2.89Å; E99-T333 PolarHBondContact OE2-N 2.76Å; E99-T333 PolarHBondContact OE2-OG1 3.17Å; E99-K334 HydrophobicContact CG-CD 4.39Å; E99-K334 WeakPolarHBondContact OE1-CD 3.39Å; E99-K334 WeakPolarHBondContact OE1-CE 3.04Å; E99-K334 VanDerWaalsContact OE1-CG 3.29Å; E99-K334 WeakPolarHBondContact OE1-CG 3.25Å; E99-K334 WeakPolarHBondContact OE2-CB 3.24Å; E99-K334 WeakPolarHBondContact OE2-CG 3.38Å; E99-K334 PolarHBondContact OE2-N 3.15Å
100	I	98.8	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-52.6	179.7	-69.8	167	0	0	0	109.9	F85 L88 T92 T96 H97 D98 G103 L104 I332 V335	F85-I100 HydrophobicContact CB-CG2 3.97Å; F85-I100 HydrophobicContact CD1-CG2 4.32Å; F85-I100 WeakPolarHBondContact O-CG2 3.38Å; L88-I100 HydrophobicContact CD2-CD1 4.5Å; T92-I100 HydrophobicContact CG2-CD1 3.86Å; T96-I100 WeakPolarHBondContact O-CD1 3.19Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.17Å; H97-I100 PolarHBondContact O-N 3.16Å; D98-I100 PolarHBondContact O-N 3.06Å; I100-G103 PolarHBondContact O-N 3.3Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.23Å; I100-L104 PolarHBondContact O-N 3.37Å; I100-I332 HydrophobicContact CG1-CG2 3.87Å; I100-V335 HydrophobicContact CD1-CB 4.12Å; I100-V335 HydrophobicContact CD1-CG1 4.4Å; I100-V335 HydrophobicContact CD1-CG2 4.1Å; I100-V335 HydrophobicContact CG1-CG1 4.43Å
101	L	98.6	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.9	-39.7	-175.3	-63.4	-176	0	0	0	112.1	H97 D98 G103 L104 F106 L108 E113 I116	H97-L101 WeakPolarHBondContact CE1-CD1 3.29Å; H97-L101 WeakPolarHBondContact NE2-CD1 3.5Å; H97-L101 PolarHBondContact O-N 3.34Å; D98-L101 PolarHBondContact O-N 2.88Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.03Å; L101-L104 CarbonylContact O-C 3.55Å; L101-L104 WeakPolarHBondContact O-CA 3.33Å; L101-L104 WeakPolarHBondContact O-CB 3.21Å; L101-L104 PolarHBondContact O-N 3Å; L101-L104 VanDerWaalsContact O-N 3.11Å; L101-F106 HydrophobicContact CB-CB 4.47Å; L101-F106 WeakPolarHBondContact O-CB 3.2Å; L101-F106 WeakPolarHBondContact O-CD2 3.38Å; L101-F106 PolarHBondContact O-N 3.04Å; L101-F106 VanDerWaalsContact O-N 3.07Å; L101-L108 HydrophobicContact CB-CD1 4.48Å; L101-L108 HydrophobicContact CB-CD2 3.85Å; L101-L108 HydrophobicContact CD1-CD2 3.78Å; L101-E113 HydrophobicContact CD1-CG 4.2Å; L101-I116 HydrophobicContact CD1-CD1 4.16Å; L101-I116 HydrophobicContact CD2-CG2 4.49Å
102	E	98.2	Very high	97.4	Very high	111 Å²	111	50 Å²	50	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-38.7	175.1	-69.5	-171.9	171.9	0	0	112	D98 L104 N105 F106 L108	D98-E102 WeakPolarHBondContact O-CB 3.35Å; D98-E102 WeakPolarHBondContact O-CG 3.48Å; D98-E102 PolarHBondContact O-N 3.17Å; E102-L104 PolarHBondContact O-N 2.59Å; E102-N105 VanDerWaalsContact O-CA 3.32Å; E102-N105 WeakPolarHBondContact O-CA 3.26Å; E102-N105 PolarHBondContact O-N 3.11Å; E102-F106 WeakPolarHBondContact CA-O 3.28Å; E102-L108 HydrophobicContact CG-CD1 4.36Å; E102-L108 HydrophobicContact CG-CG 4.3Å
103	G	98.1	Very high	97.2	Very high	8 Å²	8	53.7 Å²	53.7	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-17.6	173.8	0	0	0	0	0	114.1	E99 I100 L101	E99-G103 PolarHBondContact O-N 2.89Å; I100-G103 PolarHBondContact O-N 3.3Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.03Å
104	L	98.1	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15.3	167.9	-62	179.2	0	0	0	112.6	F57 A82 F85 A86 I100 L101 E102 F106 I332	F57-L104 HydrophobicContact CD1-CD2 4.45Å; F57-L104 HydrophobicContact CD2-CD2 3.97Å; F57-L104 HydrophobicContact CE1-CD2 4.1Å; F57-L104 HydrophobicContact CE2-CD2 3.58Å; F57-L104 HydrophobicContact CG-CD2 4.39Å; F57-L104 HydrophobicContact CZ-CD2 3.65Å; A82-L104 HydrophobicContact CB-CD1 4.39Å; A82-L104 HydrophobicContact CB-CD2 4.03Å; A82-L104 WeakPolarHBondContact O-CD1 3.37Å; F85-L104 HydrophobicContact CB-CD1 3.99Å; F85-L104 HydrophobicContact CB-CD2 4.4Å; A86-L104 HydrophobicContact CB-CD1 4.29Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.23Å; I100-L104 PolarHBondContact O-N 3.37Å; L101-L104 CarbonylContact O-C 3.55Å; L101-L104 WeakPolarHBondContact O-CA 3.33Å; L101-L104 WeakPolarHBondContact O-CB 3.21Å; L101-L104 PolarHBondContact O-N 3Å; L101-L104 VanDerWaalsContact O-N 3.11Å; E102-L104 PolarHBondContact O-N 2.59Å; L104-F106 HydrophobicContact CB-CD2 3.84Å; L104-F106 HydrophobicContact CB-CE2 3.92Å; L104-F106 PolarHBondContact O-N 2.96Å; L104-I332 HydrophobicContact CD2-CD1 4.44Å
105	N	98	Very high	96.8	Very high	55 Å²	55	51.9 Å²	51.9	29%	0.294	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	25.4	-179.7	-63.9	82.8	0	0	0	114.7	N53 E56 F57 E102	N53-N105 PolarHBondContact ND2-O 3.22Å; E56-N105 HydrophobicContact CB-CB 4.33Å; F57-N105 WeakPolarHBondContact CA-OD1 3.22Å; F57-N105 HydrophobicContact CB-CB 4.46Å; F57-N105 WeakPolarHBondContact CB-OD1 3.3Å; F57-N105 PolarHBondContact N-OD1 3.42Å; E102-N105 VanDerWaalsContact O-CA 3.32Å; E102-N105 WeakPolarHBondContact O-CA 3.26Å; E102-N105 PolarHBondContact O-N 3.11Å
106	F	97.4	Very high	96.7	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	26%	0.259	C	S	.	.			trans	-90.7	125.2	170.1	-64.8	-72.7	0	0	0	111.5	I50 N53 L101 E102 L104 L108 I111 I116 F120	I50-F106 HydrophobicContact CB-CE1 3.78Å; I50-F106 HydrophobicContact CB-CZ 4Å; I50-F106 HydrophobicContact CG2-CE1 3.72Å; I50-F106 HydrophobicContact CG2-CZ 4.15Å; N53-F106 HydrophobicContact CB-CD1 3.81Å; N53-F106 HydrophobicContact CB-CE1 3.54Å; N53-F106 HydrophobicContact CB-CZ 4.04Å; L101-F106 HydrophobicContact CB-CB 4.47Å; L101-F106 WeakPolarHBondContact O-CB 3.2Å; L101-F106 WeakPolarHBondContact O-CD2 3.38Å; L101-F106 PolarHBondContact O-N 3.04Å; L101-F106 VanDerWaalsContact O-N 3.07Å; E102-F106 WeakPolarHBondContact CA-O 3.28Å; L104-F106 HydrophobicContact CB-CD2 3.84Å; L104-F106 HydrophobicContact CB-CE2 3.92Å; L104-F106 PolarHBondContact O-N 2.96Å; F106-L108 PolarHBondContact O-N 3.35Å; F106-I111 HydrophobicContact CB-CG2 4.37Å; F106-I111 HydrophobicContact CD1-CG2 4.15Å; F106-I116 HydrophobicContact CB-CD1 3.84Å; F106-I116 HydrophobicContact CD1-CD1 3.95Å; F106-I116 HydrophobicContact CD1-CG1 3.94Å; F106-I116 HydrophobicContact CD1-CG2 4.36Å; F106-I116 HydrophobicContact CD2-CD1 4.33Å; F106-I116 HydrophobicContact CD2-CG2 4.13Å; F106-I116 HydrophobicContact CE1-CG1 4.23Å; F106-I116 HydrophobicContact CE1-CG2 4.09Å; F106-I116 HydrophobicContact CE2-CG2 3.85Å; F106-I116 HydrophobicContact CG-CD1 3.78Å; F106-I116 HydrophobicContact CG-CG1 4.25Å; F106-I116 HydrophobicContact CG-CG2 4.38Å; F106-I116 HydrophobicContact CZ-CG2 3.83Å; F106-F120 AromaticContact CE2-CE2 3.84Å; F106-F120 HydrophobicContact CE2-CE2 3.84Å; F106-F120 HydrophobicContact CE2-CZ 4.12Å; F106-F120 AromaticContact CZ-CE2 3.81Å; F106-F120 HydrophobicContact CZ-CE2 3.81Å; F106-F120 HydrophobicContact CZ-CZ 4.12Å
107	N	96.3	Very high	96.6	Very high	58 Å²	58	47.8 Å²	47.8	31%	0.31	26%	0.26	S	S	.	.			trans	-87.3	105.4	168.7	-175.8	-11.3	0	0	0	109.2	T109 E110 I111	N107-T109 VanDerWaalsContact CG-OG1 3.32Å; N107-T109 PolarHBondContact ND2-OG1 2.78Å; N107-T109 PolarHBondContact O-N 3.3Å; N107-T109 WeakPolarHBondContact OD1-CB 3.34Å; N107-T109 PolarHBondContact OD1-N 3.37Å; N107-T109 PolarHBondContact OD1-OG1 2.62Å; N107-E110 HydrophobicContact CB-CB 4.18Å; N107-E110 HydrophobicContact CB-CG 4.18Å; N107-E110 VanDerWaalsContact ND2-CD 3.26Å; N107-E110 PolarHBondContact ND2-OE1 3.3Å; N107-E110 PolarHBondContact O-N 3.34Å; N107-I111 WeakPolarHBondContact O-CG2 3.29Å; N107-I111 PolarHBondContact O-N 2.92Å; N107-I111 VanDerWaalsContact O-N 3.09Å
108	L	95.5	Very high	96.4	Very high	46 Å²	46	51.2 Å²	51.2	24%	0.241	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.6	-176.4	-58.5	-178.5	0	0	0	113.8	D98 L101 E102 F106 I116	D98-L108 HydrophobicContact CB-CD1 3.82Å; D98-L108 WeakPolarHBondContact OD1-CD1 3.19Å; L101-L108 HydrophobicContact CB-CD1 4.48Å; L101-L108 HydrophobicContact CB-CD2 3.85Å; L101-L108 HydrophobicContact CD1-CD2 3.78Å; E102-L108 HydrophobicContact CG-CD1 4.36Å; E102-L108 HydrophobicContact CG-CG 4.3Å; F106-L108 PolarHBondContact O-N 3.35Å; L108-I116 HydrophobicContact CD2-CD1 3.93Å
109	T	95.5	Very high	96.2	Very high	125 Å²	125	48.4 Å²	48.4	77%	0.767	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.7	171.7	69.6	0	0	0	0	113.4	N107	N107-T109 VanDerWaalsContact CG-OG1 3.32Å; N107-T109 PolarHBondContact ND2-OG1 2.78Å; N107-T109 PolarHBondContact O-N 3.3Å; N107-T109 WeakPolarHBondContact OD1-CB 3.34Å; N107-T109 PolarHBondContact OD1-N 3.37Å; N107-T109 PolarHBondContact OD1-OG1 2.62Å
110	E	94.2	Very high	96	Very high	158 Å²	158	46.2 Å²	46.2	74%	0.738	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-36.6	-176.1	-69.3	175.9	-158.9	0	0	112.8	N107	N107-E110 HydrophobicContact CB-CB 4.18Å; N107-E110 HydrophobicContact CB-CG 4.18Å; N107-E110 VanDerWaalsContact ND2-CD 3.26Å; N107-E110 PolarHBondContact ND2-OE1 3.3Å; N107-E110 PolarHBondContact O-N 3.34Å
111	I	93.9	Very high	95.7	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	27%	0.265	C	S	.	.	S	Bend	trans	-118.6	126.6	-179.1	-175.1	168.6	0	0	0	111.2	K49 I50 F106 N107 Q115 I116	K49-I111 HydrophobicContact CB-CD1 4.31Å; I50-I111 HydrophobicContact CG2-CD1 4.14Å; F106-I111 HydrophobicContact CB-CG2 4.37Å; F106-I111 HydrophobicContact CD1-CG2 4.15Å; N107-I111 WeakPolarHBondContact O-CG2 3.29Å; N107-I111 PolarHBondContact O-N 2.92Å; N107-I111 VanDerWaalsContact O-N 3.09Å; I111-Q115 HydrophobicContact CD1-CB 4.34Å; I111-Q115 HydrophobicContact CG1-CB 4.12Å; I111-I116 HydrophobicContact CD1-CG1 3.95Å; I111-I116 HydrophobicContact CG1-CG1 4.02Å; I111-I116 HydrophobicContact CG2-CD1 4.01Å; I111-I116 HydrophobicContact CG2-CG1 4.06Å
112	P	95.4	Very high	95.4	Very high	68 Å²	68	51.1 Å²	51.1	44%	0.442	27%	0.274	S	S	.	.			trans	-65.5	138.6	173.6	-21.2	33.1	0	0	0	111.9	A114 Q115 I116	P112-A114 PolarHBondContact O-N 3.05Å; P112-A114 VanDerWaalsContact O-N 3.16Å; P112-Q115 HydrophobicContact CB-CG 4.35Å; P112-Q115 HydrophobicContact CG-CG 4.44Å; P112-Q115 WeakPolarHBondContact O-CB 3.49Å; P112-Q115 PolarHBondContact O-N 2.92Å; P112-I116 PolarHBondContact O-N 2.9Å
113	E	94.4	Very high	95	Very high	87 Å²	87	45.8 Å²	45.8	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-52.9	-39.3	179.4	-171.6	-170.7	137.4	0	0	113.2	H97 L101 Q115 I116 H117	H97-E113 IonicContact CE1-OE2 2.78Å; H97-E113 PolarHBondContact CE1-OE2 3.05Å; H97-E113 VanDerWaalsContact CE1-OE2 3.29Å; H97-E113 IonicContact NE2-OE1 2.62Å; H97-E113 PolarHBondContact NE2-OE1 3.35Å; H97-E113 IonicContact NE2-OE2 2.8Å; L101-E113 HydrophobicContact CD1-CG 4.2Å; E113-Q115 PolarHBondContact O-N 2.97Å; E113-I116 WeakPolarHBondContact O-CB 3.36Å; E113-I116 PolarHBondContact O-N 2.79Å; E113-H117 PolarHBondContact O-N 3.35Å; E113-H117 IonicContact OE1-CD2 2.79Å; E113-H117 IonicContact OE1-NE2 2.82Å
114	A	93.8	Very high	94.6	Very high	76 Å²	76	45.8 Å²	45.8	63%	0.628	25%	0.247	S	C	*	.	H	α-helix	trans	-56.4	-38	176.2	0	0	0	0	0	112.6	P112 E118	P112-A114 PolarHBondContact O-N 3.05Å; P112-A114 VanDerWaalsContact O-N 3.16Å; A114-E118 VanDerWaalsContact O-CB 3.27Å; A114-E118 WeakPolarHBondContact O-CB 3.29Å; A114-E118 PolarHBondContact O-N 3.34Å
115	Q	94.6	Very high	94	Very high	58 Å²	58	53.1 Å²	53.1	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-74.3	-30.7	178.1	-61.2	-173.6	26.9	0	0	111.9	T46 I111 P112 E113 G119	T46-Q115 HydrophobicContact CG2-CB 4.07Å; T46-Q115 VanDerWaalsContact CG2-O 3.25Å; T46-Q115 WeakPolarHBondContact CG2-O 3.33Å; I111-Q115 HydrophobicContact CD1-CB 4.34Å; I111-Q115 HydrophobicContact CG1-CB 4.12Å; P112-Q115 HydrophobicContact CB-CG 4.35Å; P112-Q115 HydrophobicContact CG-CG 4.44Å; P112-Q115 WeakPolarHBondContact O-CB 3.49Å; P112-Q115 PolarHBondContact O-N 2.92Å; E113-Q115 PolarHBondContact O-N 2.97Å; Q115-G119 PolarHBondContact O-N 2.9Å
116	I	96.1	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-54	173.3	-58.9	175.4	0	0	0	109.3	L101 F106 L108 I111 P112 E113 G119 F120	L101-I116 HydrophobicContact CD1-CD1 4.16Å; L101-I116 HydrophobicContact CD2-CG2 4.49Å; F106-I116 HydrophobicContact CB-CD1 3.84Å; F106-I116 HydrophobicContact CD1-CD1 3.95Å; F106-I116 HydrophobicContact CD1-CG1 3.94Å; F106-I116 HydrophobicContact CD1-CG2 4.36Å; F106-I116 HydrophobicContact CD2-CD1 4.33Å; F106-I116 HydrophobicContact CD2-CG2 4.13Å; F106-I116 HydrophobicContact CE1-CG1 4.23Å; F106-I116 HydrophobicContact CE1-CG2 4.09Å; F106-I116 HydrophobicContact CE2-CG2 3.85Å; F106-I116 HydrophobicContact CG-CD1 3.78Å; F106-I116 HydrophobicContact CG-CG1 4.25Å; F106-I116 HydrophobicContact CG-CG2 4.38Å; F106-I116 HydrophobicContact CZ-CG2 3.83Å; L108-I116 HydrophobicContact CD2-CD1 3.93Å; I111-I116 HydrophobicContact CD1-CG1 3.95Å; I111-I116 HydrophobicContact CG1-CG1 4.02Å; I111-I116 HydrophobicContact CG2-CD1 4.01Å; I111-I116 HydrophobicContact CG2-CG1 4.06Å; P112-I116 PolarHBondContact O-N 2.9Å; E113-I116 WeakPolarHBondContact O-CB 3.36Å; E113-I116 PolarHBondContact O-N 2.79Å; I116-G119 PolarHBondContact O-N 2.99Å; I116-F120 HydrophobicContact CG2-CD2 3.99Å; I116-F120 HydrophobicContact CG2-CE2 3.81Å; I116-F120 VanDerWaalsContact O-CD2 3.28Å; I116-F120 WeakPolarHBondContact O-CD2 3.33Å; I116-F120 PolarHBondContact O-N 3.09Å; I116-F120 VanDerWaalsContact O-N 3.1Å
117	H	96.1	Very high	92.8	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-38	-177.2	-68.3	-44.1	0	0	0	113.3	A86 S89 L90 E113 G119 F120 Q121 Y162	A86-H117 PolarHBondContact O-CE1 3.18Å; S89-H117 PolarHBondContact OG-CE1 2.85Å; L90-H117 WeakPolarHBondContact CD2-NE2 3.5Å; E113-H117 PolarHBondContact O-N 3.35Å; E113-H117 IonicContact OE1-CD2 2.79Å; E113-H117 IonicContact OE1-NE2 2.82Å; H117-G119 VanDerWaalsContact C-N 3.34Å; H117-F120 PolarHBondContact O-N 2.71Å; H117-Q121 VanDerWaalsContact O-CG 3.27Å; H117-Q121 WeakPolarHBondContact O-CG 3.34Å; H117-Q121 PolarHBondContact O-N 3.43Å; H117-Q121 PolarHBondContact O-NE2 2.99Å; H117-Y162 PolarHBondContact ND1-OH 3.17Å
118	E	94.3	Very high	92	Very high	87 Å²	87	52.6 Å²	52.6	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-43.1	172.1	-177.5	179.6	-133.8	0	0	111.1	T46 A114 F120 Q121 E122	T46-E118 WeakPolarHBondContact CB-OE2 3.3Å; T46-E118 HydrophobicContact CG2-CB 4.02Å; T46-E118 HydrophobicContact CG2-CG 4.04Å; T46-E118 WeakPolarHBondContact CG2-OE2 3.46Å; T46-E118 PolarHBondContact OG1-OE2 2.66Å; A114-E118 VanDerWaalsContact O-CB 3.27Å; A114-E118 WeakPolarHBondContact O-CB 3.29Å; A114-E118 PolarHBondContact O-N 3.34Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-F120 PolarHBondContact O-N 3.29Å; E118-Q121 WeakPolarHBondContact O-CB 3.5Å; E118-Q121 PolarHBondContact O-N 3.21Å; E118-Q121 VanDerWaalsContact O-N 3.15Å; E118-E122 WeakPolarHBondContact O-CG 3.33Å; E118-E122 PolarHBondContact O-N 2.98Å
119	G	94.8	Very high	91.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-43.3	176	0	0	0	0	0	113	Q115 I116 H117 E122 L123	Q115-G119 PolarHBondContact O-N 2.9Å; I116-G119 PolarHBondContact O-N 2.99Å; H117-G119 VanDerWaalsContact C-N 3.34Å; G119-E122 PolarHBondContact O-N 3.12Å; G119-L123 WeakPolarHBondContact O-CB 3.48Å; G119-L123 PolarHBondContact O-N 2.97Å
120	F	95.1	Very high	90	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-38.2	175.5	-81.6	-70.4	0	0	0	112.8	I50 L54 A82 T83 A86 F106 I116 H117 E118 L123 L124 Y162	I50-F120 HydrophobicContact CD1-CD1 4.14Å; I50-F120 HydrophobicContact CD1-CD2 4.09Å; I50-F120 HydrophobicContact CD1-CE1 4.32Å; I50-F120 HydrophobicContact CD1-CE2 4.26Å; I50-F120 HydrophobicContact CD1-CG 4.02Å; I50-F120 HydrophobicContact CD1-CZ 4.37Å; L54-F120 HydrophobicContact CD2-CE1 3.88Å; L54-F120 HydrophobicContact CD2-CZ 3.86Å; A82-F120 HydrophobicContact CB-CE1 4.03Å; A82-F120 HydrophobicContact CB-CZ 3.94Å; T83-F120 HydrophobicContact CG2-CD1 4.45Å; T83-F120 WeakPolarHBondContact OG1-CD1 3.24Å; A86-F120 HydrophobicContact CB-CD2 3.58Å; A86-F120 HydrophobicContact CB-CE2 3.38Å; A86-F120 HydrophobicContact CB-CG 4.25Å; A86-F120 HydrophobicContact CB-CZ 3.9Å; F106-F120 AromaticContact CE2-CE2 3.84Å; F106-F120 HydrophobicContact CE2-CE2 3.84Å; F106-F120 HydrophobicContact CE2-CZ 4.12Å; F106-F120 AromaticContact CZ-CE2 3.81Å; F106-F120 HydrophobicContact CZ-CE2 3.81Å; F106-F120 HydrophobicContact CZ-CZ 4.12Å; I116-F120 HydrophobicContact CG2-CD2 3.99Å; I116-F120 HydrophobicContact CG2-CE2 3.81Å; I116-F120 VanDerWaalsContact O-CD2 3.28Å; I116-F120 WeakPolarHBondContact O-CD2 3.33Å; I116-F120 PolarHBondContact O-N 3.09Å; I116-F120 VanDerWaalsContact O-N 3.1Å; H117-F120 PolarHBondContact O-N 2.71Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-F120 PolarHBondContact O-N 3.29Å; F120-L123 HydrophobicContact CD1-CD2 4.39Å; F120-L123 PolarHBondContact O-N 2.68Å; F120-L124 WeakPolarHBondContact O-CB 3.05Å; F120-L124 WeakPolarHBondContact O-CG 3.47Å; F120-L124 PolarHBondContact O-N 3.01Å; F120-Y162 HydrophobicContact CB-CE1 3.92Å; F120-Y162 HydrophobicContact CG-CE1 4.44Å
121	Q	92.6	Very high	88.9	Confident	62 Å²	62	54.7 Å²	54.7	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.3	-72.2	170.8	47.3	0	0	111.6	H117 E118 L124 R125 L161	H117-Q121 VanDerWaalsContact O-CG 3.27Å; H117-Q121 WeakPolarHBondContact O-CG 3.34Å; H117-Q121 PolarHBondContact O-N 3.43Å; H117-Q121 PolarHBondContact O-NE2 2.99Å; E118-Q121 WeakPolarHBondContact O-CB 3.5Å; E118-Q121 PolarHBondContact O-N 3.21Å; E118-Q121 VanDerWaalsContact O-N 3.15Å; Q121-L124 PolarHBondContact O-N 2.9Å; Q121-R125 WeakPolarHBondContact O-CB 3.33Å; Q121-R125 PolarHBondContact O-N 3.31Å; Q121-L161 HydrophobicContact CG-CB 4.09Å
122	E	90.4	Very high	87.9	Confident	40 Å²	40	55.5 Å²	55.5	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-39.8	176.5	-67.2	-171.5	148	0	0	112.7	T46 F47 E118 G119 R125 T126	T46-E122 WeakPolarHBondContact CA-OE2 3.32Å; T46-E122 PolarHBondContact N-OE2 2.95Å; F47-E122 HydrophobicContact CB-CB 4.3Å; F47-E122 HydrophobicContact CD1-CB 3.91Å; F47-E122 VanDerWaalsContact CD1-OE2 3.3Å; F47-E122 WeakPolarHBondContact CD1-OE2 3.37Å; F47-E122 PolarHBondContact N-OE2 2.95Å; E118-E122 WeakPolarHBondContact O-CG 3.33Å; E118-E122 PolarHBondContact O-N 2.98Å; G119-E122 PolarHBondContact O-N 3.12Å; E122-R125 PolarHBondContact O-N 2.67Å; E122-T126 PolarHBondContact O-N 2.67Å; E122-T126 PolarHBondContact O-OG1 2.78Å
123	L	90.4	Very high	87.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-50.7	174.1	176.5	59.3	0	0	0	110.3	L54 V79 G119 F120 R125 T126 L127 T403	L54-L123 HydrophobicContact CD1-CD2 3.82Å; V79-L123 HydrophobicContact CG1-CD2 3.7Å; V79-L123 HydrophobicContact CG1-CG 4.33Å; V79-L123 HydrophobicContact CG2-CD2 4.2Å; G119-L123 WeakPolarHBondContact O-CB 3.48Å; G119-L123 PolarHBondContact O-N 2.97Å; F120-L123 HydrophobicContact CD1-CD2 4.39Å; F120-L123 PolarHBondContact O-N 2.68Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3Å; L123-T126 WeakPolarHBondContact O-CA 3.49Å; L123-T126 WeakPolarHBondContact O-CB 3.5Å; L123-T126 PolarHBondContact O-N 2.87Å; L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.19Å; L123-L127 HydrophobicContact CG-CD1 4.09Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.12Å; L123-T403 HydrophobicContact CD1-CG2 3.8Å
124	L	89.6	Confident	86.4	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-40.8	177.5	-77.3	174.4	0	0	0	112.7	T83 F120 Q121 T126 L127 N128 Y162	T83-L124 HydrophobicContact CG2-CD1 3.79Å; T83-L124 HydrophobicContact CG2-CD2 4.02Å; T83-L124 HydrophobicContact CG2-CG 4.09Å; F120-L124 WeakPolarHBondContact O-CB 3.05Å; F120-L124 WeakPolarHBondContact O-CG 3.47Å; F120-L124 PolarHBondContact O-N 3.01Å; Q121-L124 PolarHBondContact O-N 2.9Å; L124-T126 PolarHBondContact O-N 2.78Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-N128 WeakPolarHBondContact O-CB 3.44Å; L124-N128 PolarHBondContact O-N 3.12Å; L124-N128 PolarHBondContact O-ND2 3.41Å; L124-Y162 HydrophobicContact CD1-CD1 3.78Å; L124-Y162 HydrophobicContact CD1-CG 4.39Å
125	R	86.7	Confident	85.8	Confident	154 Å²	154	54.2 Å²	54.2	58%	0.581	27%	0.271	S	S	*	.	H	α-helix	trans	-60.4	-33.9	174.7	-174.3	179	65.8	97.9	-1.5	112	Q121 E122 L123 Q129	Q121-R125 WeakPolarHBondContact O-CB 3.33Å; Q121-R125 PolarHBondContact O-N 3.31Å; E122-R125 PolarHBondContact O-N 2.67Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3Å; R125-Q129 WeakPolarHBondContact O-CG 3.17Å
126	T	84.9	Confident	85.5	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-75.8	-37.7	177.6	-55.2	0	0	0	0	112	E122 L123 L124 N402 T403	E122-T126 PolarHBondContact O-N 2.67Å; E122-T126 PolarHBondContact O-OG1 2.78Å; L123-T126 WeakPolarHBondContact O-CA 3.49Å; L123-T126 WeakPolarHBondContact O-CB 3.5Å; L123-T126 PolarHBondContact O-N 2.87Å; L124-T126 PolarHBondContact O-N 2.78Å; T126-N402 HydrophobicContact CG2-CB 4.12Å; T126-T403 HydrophobicContact CG2-CG2 4.18Å
127	L	83.7	Confident	85.1	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-75	-33.3	179.9	-62.7	178.7	0	0	0	113.2	V79 L123 L124 Q129 L136 E400 L407	V79-L127 HydrophobicContact CG1-CD1 3.82Å; L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.19Å; L123-L127 HydrophobicContact CG-CD1 4.09Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.12Å; L124-L127 PolarHBondContact O-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.36Å; L127-L136 HydrophobicContact CB-CD2 4.47Å; L127-L136 HydrophobicContact CD2-CD2 4.06Å; L127-E400 HydrophobicContact CD2-CG 3.86Å; L127-L407 HydrophobicContact CD1-CD2 4.36Å; L127-L407 HydrophobicContact CD2-CD2 3.59Å
128	N	81.3	Confident	84.8	Confident	80 Å²	80	55.7 Å²	55.7	43%	0.428	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	22.4	-174.9	-64.6	-30.5	0	0	0	113.5	L124	L124-N128 WeakPolarHBondContact O-CB 3.44Å; L124-N128 PolarHBondContact O-N 3.12Å; L124-N128 PolarHBondContact O-ND2 3.41Å
129	Q	80.1	Confident	84.7	Confident	91 Å²	91	52 Å²	52	43%	0.425	27%	0.269	S	S	.	.			trans	-67.3	127	179.1	-68.9	-169.3	-3.9	0	0	111.4	R125 L127 D131 S132	R125-Q129 WeakPolarHBondContact O-CG 3.17Å; L127-Q129 PolarHBondContact O-N 3.36Å; Q129-D131 VanDerWaalsContact C-N 3.26Å; Q129-D131 PolarHBondContact O-N 3.06Å; Q129-S132 VanDerWaalsContact O-CB 3.29Å; Q129-S132 WeakPolarHBondContact O-CB 3.49Å; Q129-S132 PolarHBondContact O-N 3.46Å; Q129-S132 VanDerWaalsContact O-N 3.13Å
130	P	68.9	Low	84.7	Confident	127 Å²	127	52.4 Å²	52.4	83%	0.825	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.6	-176.2	-26	34.1	0	0	0	114.7	S132	P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.19Å
131	D	69.6	Low	84.8	Confident	155 Å²	155	52.4 Å²	52.4	83%	0.829	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	8.2	-176.7	-60.2	-39.2	0	0	0	113	Q129 Q133	Q129-D131 VanDerWaalsContact C-N 3.26Å; Q129-D131 PolarHBondContact O-N 3.06Å; D131-Q133 PolarHBondContact O-N 3.37Å
132	S	74.1	Confident	85	Confident	37 Å²	37	49.4 Å²	49.4	26%	0.259	26%	0.257	S	S	.	.			trans	-66.4	125.5	-178.7	-169.9	0	0	0	0	111.2	Q129 P130 L134	Q129-S132 VanDerWaalsContact O-CB 3.29Å; Q129-S132 WeakPolarHBondContact O-CB 3.49Å; Q129-S132 PolarHBondContact O-N 3.46Å; Q129-S132 VanDerWaalsContact O-N 3.13Å; P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.19Å; S132-L134 PolarHBondContact O-N 2.92Å; S132-L134 WeakPolarHBondContact OG-CB 3.49Å; S132-L134 PolarHBondContact OG-N 3.19Å
133	Q	78.4	Confident	85.4	Confident	116 Å²	116	47.7 Å²	47.7	54%	0.542	25%	0.249	S	C	.	.	S	Bend	trans	-73.3	-9.3	169.8	-62.4	-173.3	1.3	0	0	112.2	D131 Q135 L269	D131-Q133 PolarHBondContact O-N 3.37Å; Q133-Q135 PolarHBondContact O-N 3.46Å; Q133-L269 HydrophobicContact CB-CB 4.49Å
134	L	79.3	Confident	85.8	Confident	13 Å²	13	47.7 Å²	47.7	7%	0.068	25%	0.249	C	C	.	.	S	Bend	trans	-77.7	111.5	176.3	-157.8	71.4	0	0	0	109.1	S132 L136 F214 A272 L407	S132-L134 PolarHBondContact O-N 2.92Å; S132-L134 WeakPolarHBondContact OG-CB 3.49Å; S132-L134 PolarHBondContact OG-N 3.19Å; L134-L136 HydrophobicContact CD2-CB 4.18Å; L134-L136 HydrophobicContact CD2-CD2 4.42Å; L134-L136 HydrophobicContact CG-CB 4.31Å; L134-L136 PolarHBondContact O-N 2.72Å; L134-F214 HydrophobicContact CD1-CE2 3.42Å; L134-F214 VanDerWaalsContact CD1-CE2 3.42Å; L134-F214 HydrophobicContact CD1-CZ 3.82Å; L134-F214 HydrophobicContact CD2-CE2 4.14Å; L134-F214 HydrophobicContact CG-CD2 4.42Å; L134-F214 HydrophobicContact CG-CE2 3.61Å; L134-F214 HydrophobicContact CG-CZ 4.49Å; L134-A272 HydrophobicContact CD1-CB 3.56Å; L134-A272 HydrophobicContact CD2-CB 4.05Å; L134-A272 HydrophobicContact CG-CB 4.48Å; L134-L407 HydrophobicContact CD2-CD1 4.28Å
135	Q	81.6	Confident	86.2	Confident	75 Å²	75	48.7 Å²	48.7	35%	0.35	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	74	173.6	-50.6	-174.2	-17.6	0	0	109.4	Q133 F214 K215	Q133-Q135 PolarHBondContact O-N 3.46Å; Q135-F214 WeakPolarHBondContact O-CA 3.35Å; Q135-K215 HydrophobicContact CB-CB 4.4Å; Q135-K215 WeakPolarHBondContact CB-O 3.49Å; Q135-K215 PolarHBondContact O-N 2.95Å
136	L	87.4	Confident	86.6	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.131	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.3	174.1	-173.7	70.2	0	0	0	108.5	L127 L134 I212 F214 L407 F408	L127-L136 HydrophobicContact CB-CD2 4.47Å; L127-L136 HydrophobicContact CD2-CD2 4.06Å; L134-L136 HydrophobicContact CD2-CB 4.18Å; L134-L136 HydrophobicContact CD2-CD2 4.42Å; L134-L136 HydrophobicContact CG-CB 4.31Å; L134-L136 PolarHBondContact O-N 2.72Å; L136-I212 HydrophobicContact CD1-CD1 3.96Å; L136-I212 HydrophobicContact CD1-CG1 4.01Å; L136-F214 HydrophobicContact CB-CD2 4.31Å; L136-F214 HydrophobicContact CD1-CB 4.12Å; L136-F214 HydrophobicContact CD1-CD2 3.78Å; L136-F214 HydrophobicContact CD1-CG 4.43Å; L136-L407 HydrophobicContact CD2-CD2 4.35Å; L136-F408 HydrophobicContact CD1-CE2 3.78Å; L136-F408 HydrophobicContact CD1-CZ 3.75Å
137	T	87.6	Confident	87	Confident	42 Å²	42	50 Å²	50	26%	0.258	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119	176.1	-54.8	0	0	0	0	108	G188 I212 F213	T137-G188 VanDerWaalsContact CG2-O 3.24Å; T137-G188 WeakPolarHBondContact CG2-O 3.16Å; T137-I212 CarbonylContact O-C 3.57Å; T137-I212 WeakPolarHBondContact O-CA 3.36Å; T137-F213 PolarHBondContact N-O 3.4Å; T137-F213 PolarHBondContact O-N 3.49Å
138	T	91.4	Very high	87.6	Confident	34 Å²	34	50.7 Å²	50.7	21%	0.209	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.3	-179.2	-172.2	0	0	0	0	110	S80 Y211	S80-T138 PolarHBondContact OG-OG1 2.87Å; T138-Y211 WeakPolarHBondContact CA-O 3.17Å; T138-Y211 PolarHBondContact OG1-O 3.45Å
139	G	91.7	Very high	88.3	Confident	9 Å²	9	53.4 Å²	53.4	9%	0.093	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	149.2	177.5	0	0	0	0	0	113.3	N210 Y211	G139-N210 WeakPolarHBondContact O-CA 3.49Å; G139-N210 PolarHBondContact O-ND2 3.21Å; G139-Y211 PolarHBondContact N-O 2.97Å; G139-Y211 PolarHBondContact O-N 3.21Å
140	N	93.9	Very high	89.2	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.043	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.5	172.4	-60	-64.3	0	0	0	109.2	A84 M87 S164 E165 Y184 N210	A84-N140 WeakPolarHBondContact CB-OD1 3.29Å; M87-N140 HydrophobicContact CE-CB 4.09Å; N140-S164 WeakPolarHBondContact CB-OG 3.33Å; N140-S164 PolarHBondContact ND2-OG 2.98Å; N140-E165 PolarHBondContact O-N 3.26Å; N140-E165 VanDerWaalsContact O-N 3.16Å; N140-Y184 PolarHBondContact O-OH 3.2Å; N140-N210 PolarHBondContact OD1-ND2 3.46Å
141	G	96.8	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.4	172.3	0	0	0	0	0	110.9	V209	G141-V209 PolarHBondContact N-O 2.96Å; G141-V209 PolarHBondContact O-N 2.96Å
142	L	98.4	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.6	168.9	-59.7	-177.4	0	0	0	109.1	M87 L144 F154 V158 E165 A166 F167 F206 L208	M87-L142 HydrophobicContact CE-CD1 3.86Å; M87-L142 HydrophobicContact CE-CD2 3.81Å; M87-L142 HydrophobicContact CE-CG 3.87Å; L142-L144 HydrophobicContact CB-CD1 4.15Å; L142-F154 HydrophobicContact CD1-CE1 3.95Å; L142-F154 HydrophobicContact CD1-CZ 3.66Å; L142-V158 HydrophobicContact CD1-CG1 4.13Å; L142-V158 HydrophobicContact CD1-CG2 3.82Å; L142-E165 PolarHBondContact N-O 2.85Å; L142-A166 HydrophobicContact CB-CB 4.15Å; L142-A166 CarbonylContact O-C 3.49Å; L142-A166 WeakPolarHBondContact O-CA 3.2Å; L142-F167 PolarHBondContact O-N 3.04Å; L142-F206 HydrophobicContact CB-CE2 4.07Å; L142-F206 HydrophobicContact CD2-CE2 3.97Å; L142-F206 HydrophobicContact CD2-CZ 4.05Å; L142-F206 HydrophobicContact CG-CE2 4.49Å; L142-L208 HydrophobicContact CD2-CB 4.21Å; L142-L208 HydrophobicContact CD2-CD1 3.75Å; L142-L208 HydrophobicContact CD2-CG 3.93Å
143	F	98.5	Very high	93	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.8	-178.4	-66.9	-93.5	0	0	0	109.2	F167 V169 F171 I181 Y184 F206 A207 V209	F143-F167 WeakPolarHBondContact CA-O 3.37Å; F143-F167 HydrophobicContact CD1-CB 3.92Å; F143-F167 HydrophobicContact CD1-CD2 4.06Å; F143-F167 HydrophobicContact CD1-CG 4.35Å; F143-F167 HydrophobicContact CE1-CB 4.07Å; F143-F167 AromaticContact CE1-CD2 3.59Å; F143-F167 HydrophobicContact CE1-CD2 3.59Å; F143-F167 HydrophobicContact CE1-CE2 4.3Å; F143-F167 HydrophobicContact CE1-CG 4.03Å; F143-F167 HydrophobicContact CE2-CD2 4.19Å; F143-F167 AromaticContact CZ-CD2 3.65Å; F143-F167 HydrophobicContact CZ-CD2 3.65Å; F143-F167 HydrophobicContact CZ-CE2 4Å; F143-V169 HydrophobicContact CD1-CG2 3.7Å; F143-V169 HydrophobicContact CE1-CG2 4.49Å; F143-F171 HydrophobicContact CB-CZ 4.05Å; F143-F171 WeakPolarHBondContact O-CE2 3.15Å; F143-F171 WeakPolarHBondContact O-CZ 3.36Å; F143-I181 HydrophobicContact CB-CD1 4.3Å; F143-I181 HydrophobicContact CB-CG1 4.23Å; F143-I181 HydrophobicContact CD1-CG1 3.62Å; F143-I181 HydrophobicContact CD2-CD1 4.5Å; F143-I181 HydrophobicContact CD2-CG1 3.87Å; F143-I181 HydrophobicContact CE1-CB 4.46Å; F143-I181 HydrophobicContact CE1-CG1 3.83Å; F143-I181 HydrophobicContact CE2-CB 4.5Å; F143-I181 HydrophobicContact CE2-CG1 4.1Å; F143-I181 HydrophobicContact CE2-CG2 4.3Å; F143-I181 HydrophobicContact CG-CD1 4.2Å; F143-I181 HydrophobicContact CG-CG1 3.62Å; F143-I181 HydrophobicContact CZ-CB 4.37Å; F143-I181 HydrophobicContact CZ-CG1 4.07Å; F143-Y184 AromaticContact CE2-CD1 3.96Å; F143-Y184 HydrophobicContact CE2-CD1 3.96Å; F143-Y184 HydrophobicContact CE2-CG 4.47Å; F143-Y184 AromaticContact CZ-CD1 3.72Å; F143-Y184 HydrophobicContact CZ-CD1 3.72Å; F143-Y184 AromaticContact CZ-CG 3.77Å; F143-Y184 HydrophobicContact CZ-CG 3.77Å; F143-F206 CarbonylContact O-C 3.57Å; F143-F206 WeakPolarHBondContact O-CA 3.44Å; F143-F206 WeakPolarHBondContact O-CD2 3.41Å; F143-A207 HydrophobicContact CB-CB 4.38Å; F143-A207 PolarHBondContact N-O 3.34Å; F143-A207 PolarHBondContact O-N 3.05Å; F143-V209 HydrophobicContact CD2-CG2 4.13Å; F143-V209 HydrophobicContact CE2-CG2 3.53Å
144	L	98.3	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148	-173.7	-62.2	113.7	0	0	0	110.8	L142 E146 L150 A166 F167 T168 V169 F206 V345 L351	L142-L144 HydrophobicContact CB-CD1 4.15Å; L144-E146 PolarHBondContact O-N 3.42Å; L144-L150 HydrophobicContact CB-CD1 4.49Å; L144-L150 HydrophobicContact CB-CD2 4.38Å; L144-L150 HydrophobicContact CD1-CD1 4.36Å; L144-L150 HydrophobicContact CD2-CD2 3.92Å; L144-A166 HydrophobicContact CD1-CB 4.38Å; L144-F167 PolarHBondContact N-O 3.26Å; L144-T168 CarbonylContact O-C 3.53Å; L144-T168 VanDerWaalsContact O-CA 3.28Å; L144-T168 WeakPolarHBondContact O-CA 3.36Å; L144-V169 PolarHBondContact O-N 3.46Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD2-CD1 4.49Å; L144-F206 HydrophobicContact CD2-CD2 3.91Å; L144-F206 HydrophobicContact CD2-CE2 3.98Å; L144-F206 HydrophobicContact CD2-CG 4.19Å; L144-F206 HydrophobicContact CD2-CZ 4.28Å; L144-F206 HydrophobicContact CG-CD2 3.75Å; L144-F206 HydrophobicContact CG-CE2 3.87Å; L144-F206 HydrophobicContact CG-CG 4.44Å; L144-V345 HydrophobicContact CD2-CG1 3.42Å; L144-V345 VanDerWaalsContact CD2-CG1 3.42Å; L144-L351 HydrophobicContact CD2-CD2 4.27Å
145	S	97.6	Very high	94.8	Very high	29 Å²	29	45.1 Å²	45.1	20%	0.203	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	131	175.6	-175.2	0	0	0	0	111.4	G147 L148 V169 V205	S145-G147 PolarHBondContact O-N 2.86Å; S145-G147 VanDerWaalsContact O-N 3.13Å; S145-L148 WeakPolarHBondContact O-CB 3.16Å; S145-L148 PolarHBondContact O-N 2.9Å; S145-L148 VanDerWaalsContact O-N 3.11Å; S145-V169 WeakPolarHBondContact CA-O 3.28Å; S145-V205 PolarHBondContact N-O 3.14Å
146	E	94.4	Very high	95.5	Very high	116 Å²	116	46 Å²	46	54%	0.542	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	-178.2	65.3	-179.8	-168.2	0	0	114.8	L144 L148 V169 N170	L144-E146 PolarHBondContact O-N 3.42Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.34Å; E146-V169 PolarHBondContact N-O 3.23Å; E146-V169 VanDerWaalsContact N-O 3.09Å; E146-N170 HydrophobicContact CG-CB 4.39Å; E146-N170 WeakPolarHBondContact OE1-CB 3.3Å
147	G	93.8	Very high	95.9	Very high	72 Å²	72	45.6 Å²	45.6	74%	0.742	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-5	176.3	0	0	0	0	0	114.6	S145	S145-G147 PolarHBondContact O-N 2.86Å; S145-G147 VanDerWaalsContact O-N 3.13Å
148	L	96	Very high	96.3	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.162	24%	0.237	C	C	.	.	S	Bend	trans	-85.8	135.2	-178.6	-63.1	171.9	0	0	0	111.1	S145 E146 L150 T346 A349 L351	S145-L148 WeakPolarHBondContact O-CB 3.16Å; S145-L148 PolarHBondContact O-N 2.9Å; S145-L148 VanDerWaalsContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.34Å; L148-L150 HydrophobicContact CB-CD2 3.87Å; L148-L150 PolarHBondContact O-N 3.15Å; L148-T346 HydrophobicContact CD2-CG2 4.43Å; L148-A349 HydrophobicContact CD2-CB 3.75Å; L148-L351 HydrophobicContact CD1-CD1 3.63Å; L148-L351 HydrophobicContact CD1-CD2 4.43Å
149	K	97.5	Very high	96.5	Very high	138 Å²	138	49.4 Å²	49.4	60%	0.6	26%	0.259	S	S	*	.			trans	-82	104.1	166.7	-176.9	179.8	165.5	-163.9	0	108.7	T346 E348	K149-T346 WeakPolarHBondContact O-CB 3.33Å; K149-T346 PolarHBondContact O-OG1 3.21Å; K149-E348 WeakPolarHBondContact CD-OE1 3.32Å; K149-E348 IonicContact NZ-OE1 3.49Å; K149-E348 PolarHBondContact NZ-OE1 2.9Å
150	L	97.8	Very high	96.5	Very high	33 Å²	33	55.1 Å²	55.1	17%	0.173	28%	0.281	C	S	.	.			trans	-83.6	147.5	-176.1	-56.1	-178.5	0	0	0	111.5	L144 L148 L155 T168 V345	L144-L150 HydrophobicContact CB-CD1 4.49Å; L144-L150 HydrophobicContact CB-CD2 4.38Å; L144-L150 HydrophobicContact CD1-CD1 4.36Å; L144-L150 HydrophobicContact CD2-CD2 3.92Å; L148-L150 HydrophobicContact CB-CD2 3.87Å; L148-L150 PolarHBondContact O-N 3.15Å; L150-L155 HydrophobicContact CB-CD1 4.02Å; L150-L155 HydrophobicContact CB-CG 4.43Å; L150-L155 HydrophobicContact CD1-CD1 4.24Å; L150-L155 HydrophobicContact CD1-CD2 4.1Å; L150-T168 HydrophobicContact CD1-CG2 4.04Å; L150-V345 WeakPolarHBondContact CA-O 3.4Å; L150-V345 HydrophobicContact CD2-CG1 4.23Å
151	V	98.3	Very high	96.4	Very high	30 Å²	30	57 Å²	57	18%	0.182	29%	0.291	C	S	.	.			trans	-81.3	119.3	175.3	178.2	0	0	0	0	109.5	K153 F154 L155 G344 V345 E347	V151-K153 VanDerWaalsContact C-N 3.25Å; V151-K153 HydrophobicContact CG1-CB 4.1Å; V151-K153 PolarHBondContact O-N 2.94Å; V151-F154 HydrophobicContact CB-CB 4.49Å; V151-F154 PolarHBondContact O-N 3.09Å; V151-F154 VanDerWaalsContact O-N 3.1Å; V151-L155 PolarHBondContact O-N 3.35Å; V151-G344 WeakPolarHBondContact CB-O 3.48Å; V151-V345 PolarHBondContact N-O 2.82Å; V151-E347 HydrophobicContact CG2-CG 3.89Å
152	D	97.8	Very high	96.3	Very high	122 Å²	122	57 Å²	57	65%	0.652	29%	0.291	S	S	*	.	H	α-helix	trans	-57.2	-38.6	-177	-70.6	-31.5	0	0	0	112.8	F154 L155 E156	D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 3.41Å; D152-L155 PolarHBondContact O-N 3.23Å; D152-E156 WeakPolarHBondContact O-CG 3.29Å; D152-E156 PolarHBondContact O-N 3.43Å
153	K	97.3	Very high	96	Very high	123 Å²	123	62.9 Å²	62.9	54%	0.535	32%	0.318	S	S	.	.	H	α-helix	trans	-57.4	-42.1	178.3	178.4	55.2	172.4	136.7	0	112.1	V151 E156 D157	V151-K153 VanDerWaalsContact C-N 3.25Å; V151-K153 HydrophobicContact CG1-CB 4.1Å; V151-K153 PolarHBondContact O-N 2.94Å; K153-E156 PolarHBondContact O-N 3.13Å; K153-D157 VanDerWaalsContact CE-OD2 3.22Å; K153-D157 WeakPolarHBondContact CE-OD2 3.42Å; K153-D157 IonicContact NZ-OD1 2.63Å; K153-D157 PolarHBondContact NZ-OD1 3.39Å; K153-D157 IonicContact NZ-OD2 3.19Å; K153-D157 PolarHBondContact NZ-OD2 3.44Å; K153-D157 VanDerWaalsContact O-CG 3.26Å; K153-D157 PolarHBondContact O-N 3.21Å
154	F	97.8	Very high	95.7	Very high	4 Å²	4	63 Å²	63	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-44.8	177.3	173.1	-105.8	0	0	0	111.7	L142 V151 D152 E156 D157 V158 G344 V345	L142-F154 HydrophobicContact CD1-CE1 3.95Å; L142-F154 HydrophobicContact CD1-CZ 3.66Å; V151-F154 HydrophobicContact CB-CB 4.49Å; V151-F154 PolarHBondContact O-N 3.09Å; V151-F154 VanDerWaalsContact O-N 3.1Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 3.41Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.33Å; F154-D157 PolarHBondContact O-N 2.91Å; F154-V158 HydrophobicContact CD1-CG2 4.4Å; F154-V158 HydrophobicContact CD2-CG2 4.23Å; F154-V158 HydrophobicContact CE1-CG2 4.01Å; F154-V158 HydrophobicContact CE2-CG2 3.82Å; F154-V158 HydrophobicContact CZ-CG2 3.7Å; F154-V158 WeakPolarHBondContact O-CB 3.27Å; F154-V158 VanDerWaalsContact O-CG2 3.29Å; F154-V158 WeakPolarHBondContact O-CG2 3.48Å; F154-V158 PolarHBondContact O-N 3.49Å; F154-G344 VanDerWaalsContact CB-O 3.28Å; F154-G344 WeakPolarHBondContact CB-O 3.49Å; F154-V345 HydrophobicContact CD1-CB 4.35Å; F154-V345 HydrophobicContact CD1-CG1 4.1Å; F154-V345 HydrophobicContact CD1-CG2 4.07Å; F154-V345 HydrophobicContact CD2-CG2 4.26Å; F154-V345 HydrophobicContact CE1-CB 4.4Å; F154-V345 HydrophobicContact CE1-CG1 3.98Å; F154-V345 HydrophobicContact CE1-CG2 3.84Å; F154-V345 HydrophobicContact CE2-CG2 4.04Å; F154-V345 HydrophobicContact CG-CG2 4.27Å; F154-V345 HydrophobicContact CZ-CG2 3.82Å
155	L	97.1	Very high	95.5	Very high	53 Å²	53	67.5 Å²	67.5	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-39.2	176.9	-60.4	180	0	0	0	112	L150 V151 D152 K159 A166	L150-L155 HydrophobicContact CB-CD1 4.02Å; L150-L155 HydrophobicContact CB-CG 4.43Å; L150-L155 HydrophobicContact CD1-CD1 4.24Å; L150-L155 HydrophobicContact CD1-CD2 4.1Å; V151-L155 PolarHBondContact O-N 3.35Å; D152-L155 PolarHBondContact O-N 3.23Å; L155-K159 WeakPolarHBondContact O-CB 3.46Å; L155-K159 PolarHBondContact O-N 3.31Å; L155-A166 HydrophobicContact CD2-CB 3.79Å
156	E	97.1	Very high	95.5	Very high	92 Å²	92	67.9 Å²	67.9	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-43.2	174.4	-75.6	-163.8	-175.2	0	0	112	D152 K153 F154 K159 K160	D152-E156 WeakPolarHBondContact O-CG 3.29Å; D152-E156 PolarHBondContact O-N 3.43Å; K153-E156 PolarHBondContact O-N 3.13Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.33Å; E156-K159 PolarHBondContact O-N 3.13Å; E156-K160 HydrophobicContact CB-CD 4.43Å; E156-K160 VanDerWaalsContact CD-NZ 3.33Å; E156-K160 WeakPolarHBondContact O-CB 3.32Å; E156-K160 WeakPolarHBondContact O-CG 3.44Å; E156-K160 PolarHBondContact O-N 3.45Å; E156-K160 IonicContact OE1-NZ 3.04Å; E156-K160 IonicContact OE2-NZ 2.73Å; E156-K160 PolarHBondContact OE2-NZ 3.09Å
157	D	95.7	Very high	95.6	Very high	18 Å²	18	65.4 Å²	65.4	10%	0.096	33%	0.333	C	S	.	.	H	α-helix	trans	-69.8	-43.1	-178.1	-71.6	-20.6	0	0	0	112.4	L90 K153 F154 K159 L161 Y162	L90-D157 HydrophobicContact CD1-CB 3.8Å; K153-D157 VanDerWaalsContact CE-OD2 3.22Å; K153-D157 WeakPolarHBondContact CE-OD2 3.42Å; K153-D157 IonicContact NZ-OD1 2.63Å; K153-D157 PolarHBondContact NZ-OD1 3.39Å; K153-D157 IonicContact NZ-OD2 3.19Å; K153-D157 PolarHBondContact NZ-OD2 3.44Å; K153-D157 VanDerWaalsContact O-CG 3.26Å; K153-D157 PolarHBondContact O-N 3.21Å; F154-D157 PolarHBondContact O-N 2.91Å; D157-K159 PolarHBondContact O-N 3.13Å; D157-L161 HydrophobicContact CB-CD1 3.94Å; D157-L161 HydrophobicContact CB-CG 4.38Å; D157-L161 WeakPolarHBondContact O-CA 3.32Å; D157-L161 VanDerWaalsContact O-CB 3.26Å; D157-L161 WeakPolarHBondContact O-CB 3.36Å; D157-L161 PolarHBondContact O-N 3.46Å; D157-Y162 PolarHBondContact O-N 2.69Å
158	V	95.7	Very high	95.8	Very high	1 Å²	1	66 Å²	66	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-53.6	-44.7	172.5	166.3	0	0	0	0	110.7	M87 L142 F154 Y162 H163 S164 A166	M87-V158 HydrophobicContact CG-CG2 3.98Å; M87-V158 HydrophobicContact SD-CB 4.26Å; M87-V158 HydrophobicContact SD-CG1 3.83Å; M87-V158 HydrophobicContact SD-CG2 4.04Å; L142-V158 HydrophobicContact CD1-CG1 4.13Å; L142-V158 HydrophobicContact CD1-CG2 3.82Å; F154-V158 HydrophobicContact CD1-CG2 4.4Å; F154-V158 HydrophobicContact CD2-CG2 4.23Å; F154-V158 HydrophobicContact CE1-CG2 4.01Å; F154-V158 HydrophobicContact CE2-CG2 3.82Å; F154-V158 HydrophobicContact CZ-CG2 3.7Å; F154-V158 WeakPolarHBondContact O-CB 3.27Å; F154-V158 VanDerWaalsContact O-CG2 3.29Å; F154-V158 WeakPolarHBondContact O-CG2 3.48Å; F154-V158 PolarHBondContact O-N 3.49Å; V158-Y162 CarbonylContact O-C 3.54Å; V158-Y162 WeakPolarHBondContact O-CB 3.5Å; V158-H163 PolarHBondContact O-N 3.26Å; V158-S164 PolarHBondContact O-N 3Å; V158-A166 HydrophobicContact CG1-CB 4.46Å
159	K	94.4	Very high	95.9	Very high	155 Å²	155	64.7 Å²	64.7	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-78.8	-47.8	-176.6	-173.8	174.5	-178.6	175.3	0	113.4	L155 E156 D157 H163	L155-K159 WeakPolarHBondContact O-CB 3.46Å; L155-K159 PolarHBondContact O-N 3.31Å; E156-K159 PolarHBondContact O-N 3.13Å; D157-K159 PolarHBondContact O-N 3.13Å; K159-H163 WeakPolarHBondContact O-CA 3.42Å; K159-H163 PolarHBondContact O-N 2.97Å
160	K	92.6	Very high	95.8	Very high	128 Å²	128	61.7 Å²	61.7	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-84	-40	-171	-66.7	176.1	-177.3	167.9	0	112.4	E156	E156-K160 HydrophobicContact CB-CD 4.43Å; E156-K160 VanDerWaalsContact CD-NZ 3.33Å; E156-K160 WeakPolarHBondContact O-CB 3.32Å; E156-K160 WeakPolarHBondContact O-CG 3.44Å; E156-K160 PolarHBondContact O-N 3.45Å; E156-K160 IonicContact OE1-NZ 3.04Å; E156-K160 IonicContact OE2-NZ 2.73Å; E156-K160 PolarHBondContact OE2-NZ 3.09Å
161	L	91.6	Very high	95.8	Very high	47 Å²	47	60.6 Å²	60.6	25%	0.246	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-43.7	-175.9	-51.6	-178.6	0	0	0	110.7	L90 Q121 D157	L90-L161 HydrophobicContact CD1-CD1 4.42Å; Q121-L161 HydrophobicContact CG-CB 4.09Å; D157-L161 HydrophobicContact CB-CD1 3.94Å; D157-L161 HydrophobicContact CB-CG 4.38Å; D157-L161 WeakPolarHBondContact O-CA 3.32Å; D157-L161 VanDerWaalsContact O-CB 3.26Å; D157-L161 WeakPolarHBondContact O-CB 3.36Å; D157-L161 PolarHBondContact O-N 3.46Å
162	Y	93.8	Very high	95.7	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	33%	0.329	C	S	.	.	S	Bend	trans	-102.8	0.4	-173.7	-76.3	-89	0	0	0	115	T83 A86 M87 L90 H117 F120 L124 D157 V158 S164	T83-Y162 HydrophobicContact CG2-CD1 3.74Å; T83-Y162 HydrophobicContact CG2-CE1 4Å; A86-Y162 PolarHBondContact O-OH 3.34Å; M87-Y162 HydrophobicContact CB-CD1 3.63Å; M87-Y162 HydrophobicContact CB-CD2 3.9Å; M87-Y162 HydrophobicContact CB-CE1 3.84Å; M87-Y162 HydrophobicContact CB-CE2 4.11Å; M87-Y162 HydrophobicContact CB-CG 3.64Å; M87-Y162 HydrophobicContact CG-CD1 4.16Å; M87-Y162 HydrophobicContact CG-CD2 3.79Å; M87-Y162 HydrophobicContact CG-CE2 4.38Å; M87-Y162 HydrophobicContact CG-CG 3.64Å; M87-Y162 HydrophobicContact SD-CG 4.28Å; L90-Y162 HydrophobicContact CD1-CD2 4.12Å; L90-Y162 HydrophobicContact CD1-CE2 3.62Å; L90-Y162 HydrophobicContact CG-CE2 4.44Å; H117-Y162 PolarHBondContact ND1-OH 3.17Å; F120-Y162 HydrophobicContact CB-CE1 3.92Å; F120-Y162 HydrophobicContact CG-CE1 4.44Å; L124-Y162 HydrophobicContact CD1-CD1 3.78Å; L124-Y162 HydrophobicContact CD1-CG 4.39Å; D157-Y162 PolarHBondContact O-N 2.69Å; V158-Y162 CarbonylContact O-C 3.54Å; V158-Y162 WeakPolarHBondContact O-CB 3.5Å; Y162-S164 PolarHBondContact O-N 2.97Å; Y162-S164 PolarHBondContact O-OG 3.11Å
163	H	92.3	Very high	95.7	Very high	123 Å²	123	60.9 Å²	60.9	57%	0.569	32%	0.319	S	S	*	.			trans	49.5	34.1	179.8	-55.5	87.9	0	0	0	112.9	V158 K159	V158-H163 PolarHBondContact O-N 3.26Å; K159-H163 WeakPolarHBondContact O-CA 3.42Å; K159-H163 PolarHBondContact O-N 2.97Å
164	S	93.9	Very high	95.7	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.049	31%	0.305	C	S	.	.			trans	-112.7	167.2	-173.2	-66.6	0	0	0	0	110.6	M87 N140 V158 Y162	M87-S164 WeakPolarHBondContact SD-CB 3.31Å; N140-S164 WeakPolarHBondContact CB-OG 3.33Å; N140-S164 PolarHBondContact ND2-OG 2.98Å; V158-S164 PolarHBondContact O-N 3Å; Y162-S164 PolarHBondContact O-N 2.97Å; Y162-S164 PolarHBondContact O-OG 3.11Å
165	E	93.5	Very high	95.6	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.5	-170.8	-66	172.6	-98.2	0	0	111.4	N140 L142 F167 Y184	N140-E165 PolarHBondContact O-N 3.26Å; N140-E165 VanDerWaalsContact O-N 3.16Å; L142-E165 PolarHBondContact N-O 2.85Å; E165-F167 HydrophobicContact CB-CD2 4.45Å; E165-F167 HydrophobicContact CB-CE1 4.47Å; E165-F167 HydrophobicContact CB-CE2 3.53Å; E165-F167 HydrophobicContact CB-CZ 3.55Å; E165-F167 HydrophobicContact CG-CZ 4.23Å; E165-F167 WeakPolarHBondContact OE2-CZ 3.34Å; E165-Y184 HydrophobicContact CB-CE2 4.39Å; E165-Y184 VanDerWaalsContact OE1-CE2 3.24Å; E165-Y184 WeakPolarHBondContact OE1-CE2 3.32Å; E165-Y184 PolarHBondContact OE1-OH 3.49Å; E165-Y184 VanDerWaalsContact OE1-OH 3.07Å
166	A	96.6	Very high	95.6	Very high	37 Å²	37	63.1 Å²	63.1	31%	0.306	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	173.2	0	0	0	0	0	109.7	L142 L144 L155 V158	L142-A166 HydrophobicContact CB-CB 4.15Å; L142-A166 CarbonylContact O-C 3.49Å; L142-A166 WeakPolarHBondContact O-CA 3.2Å; L144-A166 HydrophobicContact CD1-CB 4.38Å; L155-A166 HydrophobicContact CD2-CB 3.79Å; V158-A166 HydrophobicContact CG1-CB 4.46Å
167	F	97.5	Very high	95.7	Very high	65 Å²	65	58.8 Å²	58.8	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.6	-176.5	-54.7	-80.2	0	0	0	110.1	L142 F143 L144 E165 V169 Y184	L142-F167 PolarHBondContact O-N 3.04Å; F143-F167 WeakPolarHBondContact CA-O 3.37Å; F143-F167 HydrophobicContact CD1-CB 3.92Å; F143-F167 HydrophobicContact CD1-CD2 4.06Å; F143-F167 HydrophobicContact CD1-CG 4.35Å; F143-F167 HydrophobicContact CE1-CB 4.07Å; F143-F167 AromaticContact CE1-CD2 3.59Å; F143-F167 HydrophobicContact CE1-CD2 3.59Å; F143-F167 HydrophobicContact CE1-CE2 4.3Å; F143-F167 HydrophobicContact CE1-CG 4.03Å; F143-F167 HydrophobicContact CE2-CD2 4.19Å; F143-F167 AromaticContact CZ-CD2 3.65Å; F143-F167 HydrophobicContact CZ-CD2 3.65Å; F143-F167 HydrophobicContact CZ-CE2 4Å; L144-F167 PolarHBondContact N-O 3.26Å; E165-F167 HydrophobicContact CB-CD2 4.45Å; E165-F167 HydrophobicContact CB-CE1 4.47Å; E165-F167 HydrophobicContact CB-CE2 3.53Å; E165-F167 HydrophobicContact CB-CZ 3.55Å; E165-F167 HydrophobicContact CG-CZ 4.23Å; E165-F167 WeakPolarHBondContact OE2-CZ 3.34Å; F167-V169 HydrophobicContact CB-CG2 4.48Å; F167-Y184 AromaticContact CE2-CD2 3.62Å; F167-Y184 HydrophobicContact CE2-CD2 3.62Å; F167-Y184 AromaticContact CE2-CE2 3.61Å; F167-Y184 HydrophobicContact CE2-CE2 3.61Å; F167-Y184 HydrophobicContact CE2-CG 4.14Å; F167-Y184 AromaticContact CZ-CD2 3.61Å; F167-Y184 HydrophobicContact CZ-CD2 3.61Å; F167-Y184 AromaticContact CZ-CE2 3.62Å; F167-Y184 HydrophobicContact CZ-CE2 3.62Å; F167-Y184 HydrophobicContact CZ-CG 4.49Å
168	T	97.5	Very high	95.8	Very high	84 Å²	84	59.8 Å²	59.8	52%	0.515	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	167	51.7	0	0	0	0	109.8	L144 L150	L144-T168 CarbonylContact O-C 3.53Å; L144-T168 VanDerWaalsContact O-CA 3.28Å; L144-T168 WeakPolarHBondContact O-CA 3.36Å; L150-T168 HydrophobicContact CD1-CG2 4.04Å
169	V	97.3	Very high	95.9	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.7	-176.5	177.8	0	0	0	0	110	F143 L144 S145 E146 F167 F171 A177	F143-V169 HydrophobicContact CD1-CG2 3.7Å; F143-V169 HydrophobicContact CE1-CG2 4.49Å; L144-V169 PolarHBondContact O-N 3.46Å; S145-V169 WeakPolarHBondContact CA-O 3.28Å; E146-V169 PolarHBondContact N-O 3.23Å; E146-V169 VanDerWaalsContact N-O 3.09Å; F167-V169 HydrophobicContact CB-CG2 4.48Å; V169-F171 PolarHBondContact O-N 2.83Å; V169-A177 HydrophobicContact CG1-CB 3.48Å; V169-A177 VanDerWaalsContact CG1-CB 3.48Å
170	N	97.4	Very high	96.1	Very high	76 Å²	76	60.6 Å²	60.6	41%	0.406	32%	0.32	S	S	.	.			trans	-80.9	94.7	170.9	-177.4	3.4	0	0	0	110.9	E146 G172 D173	E146-N170 HydrophobicContact CG-CB 4.39Å; E146-N170 WeakPolarHBondContact OE1-CB 3.3Å; N170-G172 PolarHBondContact O-N 2.93Å; N170-G172 WeakPolarHBondContact OD1-CA 3.49Å; N170-G172 PolarHBondContact OD1-N 3.06Å; N170-D173 PolarHBondContact O-N 3.11Å
171	F	97.6	Very high	96.3	Very high	10 Å²	10	54.5 Å²	54.5	4%	0.044	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.8	174.7	-72.6	-69	0	0	0	114.4	F143 V169 D173 A177 I181 L200 T204 A207	F143-F171 HydrophobicContact CB-CZ 4.05Å; F143-F171 WeakPolarHBondContact O-CE2 3.15Å; F143-F171 WeakPolarHBondContact O-CZ 3.36Å; V169-F171 PolarHBondContact O-N 2.83Å; F171-D173 PolarHBondContact O-N 3.17Å; F171-A177 HydrophobicContact CD1-CB 3.81Å; F171-A177 HydrophobicContact CE1-CB 4.16Å; F171-I181 HydrophobicContact CE1-CD1 4.31Å; F171-L200 HydrophobicContact CD1-CD1 4.33Å; F171-L200 HydrophobicContact CE1-CD1 4.19Å; F171-T204 WeakPolarHBondContact CB-O 3.3Å; F171-T204 HydrophobicContact CD1-CG2 3.66Å; F171-T204 HydrophobicContact CE1-CG2 3.49Å; F171-T204 VanDerWaalsContact CE1-CG2 3.49Å; F171-T204 HydrophobicContact CE2-CG2 4.45Å; F171-T204 HydrophobicContact CG-CG2 4.23Å; F171-T204 VanDerWaalsContact CG-O 3.23Å; F171-T204 WeakPolarHBondContact CG-O 3.17Å; F171-T204 HydrophobicContact CZ-CG2 3.92Å; F171-A207 HydrophobicContact CZ-CB 4.24Å
172	G	95.8	Very high	96.6	Very high	76 Å²	76	52.8 Å²	52.8	78%	0.784	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.9	169.6	0	0	0	0	0	113	N170	N170-G172 PolarHBondContact O-N 2.93Å; N170-G172 WeakPolarHBondContact OD1-CA 3.49Å; N170-G172 PolarHBondContact OD1-N 3.06Å
173	D	96.9	Very high	96.8	Very high	81 Å²	81	55.9 Å²	55.9	43%	0.433	30%	0.301	S	S	.	.	S	Bend	trans	-105.1	89.3	167	-169.2	-25.6	0	0	0	109.5	N170 F171 E175 E176 A177	N170-D173 PolarHBondContact O-N 3.11Å; F171-D173 PolarHBondContact O-N 3.17Å; D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.82Å; D173-E175 PolarHBondContact OD1-N 3.38Å; D173-E176 HydrophobicContact CB-CB 4.13Å; D173-E176 PolarHBondContact O-N 3.04Å; D173-E176 PolarHBondContact OD1-N 2.81Å; D173-E176 VanDerWaalsContact OD1-N 3.1Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.39Å; D173-A177 PolarHBondContact O-N 2.68Å
174	T	96.9	Very high	97	Very high	39 Å²	39	51.2 Å²	51.2	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-30.7	-174.5	53.6	0	0	0	0	113.2	K178	T174-K178 WeakPolarHBondContact O-CB 3.36Å; T174-K178 PolarHBondContact O-N 2.66Å
175	E	97.1	Very high	97.2	Very high	114 Å²	114	50.9 Å²	50.9	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-75	-44.2	-179.2	-71.7	-60.8	114.3	0	0	111	D173 K178 K179	D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.82Å; D173-E175 PolarHBondContact OD1-N 3.38Å; E175-K178 PolarHBondContact O-N 3.19Å; E175-K178 IonicContact OE1-NZ 2.78Å; E175-K178 PolarHBondContact OE1-NZ 3.41Å; E175-K178 WeakPolarHBondContact OE2-CE 3.2Å; E175-K178 IonicContact OE2-NZ 2.66Å; E175-K178 PolarHBondContact OE2-NZ 2.96Å; E175-K179 WeakPolarHBondContact O-CB 3.42Å; E175-K179 PolarHBondContact O-N 2.65Å
176	E	97.6	Very high	97.3	Very high	75 Å²	75	50.1 Å²	50.1	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-40.9	174.8	-177.6	55.8	-154	0	0	111.4	D173 K178 K179 Q180	D173-E176 HydrophobicContact CB-CB 4.13Å; D173-E176 PolarHBondContact O-N 3.04Å; D173-E176 PolarHBondContact OD1-N 2.81Å; D173-E176 VanDerWaalsContact OD1-N 3.1Å; E176-K178 PolarHBondContact O-N 3.5Å; E176-K179 WeakPolarHBondContact O-CB 3.35Å; E176-K179 PolarHBondContact O-N 2.61Å; E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.08Å; E176-Q180 PolarHBondContact OE1-NE2 3.42Å
177	A	97.9	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-45.7	175.1	0	0	0	0	0	112.1	V169 F171 D173 K179 Q180 I181 L200	V169-A177 HydrophobicContact CG1-CB 3.48Å; V169-A177 VanDerWaalsContact CG1-CB 3.48Å; F171-A177 HydrophobicContact CD1-CB 3.81Å; F171-A177 HydrophobicContact CE1-CB 4.16Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.39Å; D173-A177 PolarHBondContact O-N 2.68Å; A177-K179 VanDerWaalsContact C-N 3.32Å; A177-K179 PolarHBondContact O-N 3.19Å; A177-Q180 PolarHBondContact O-N 3.28Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 2.85Å; A177-I181 PolarHBondContact O-N 3.25Å; A177-I181 VanDerWaalsContact O-N 3.08Å; A177-L200 HydrophobicContact CB-CD1 3.99Å
178	K	97.9	Very high	96.9	Very high	40 Å²	40	54.3 Å²	54.3	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-43.8	174.6	177.2	-175.6	69.2	-163.4	0	111.2	T174 E175 E176 I181 N182 V197 K198 L200	T174-K178 WeakPolarHBondContact O-CB 3.36Å; T174-K178 PolarHBondContact O-N 2.66Å; E175-K178 PolarHBondContact O-N 3.19Å; E175-K178 IonicContact OE1-NZ 2.78Å; E175-K178 PolarHBondContact OE1-NZ 3.41Å; E175-K178 WeakPolarHBondContact OE2-CE 3.2Å; E175-K178 IonicContact OE2-NZ 2.66Å; E175-K178 PolarHBondContact OE2-NZ 2.96Å; E176-K178 PolarHBondContact O-N 3.5Å; K178-I181 PolarHBondContact O-N 2.99Å; K178-N182 PolarHBondContact O-N 3.01Å; K178-N182 PolarHBondContact O-ND2 3.23Å; K178-V197 HydrophobicContact CG-CG1 4.41Å; K178-K198 WeakPolarHBondContact CD-O 3.29Å; K178-L200 HydrophobicContact CB-CD1 3.9Å; K178-L200 HydrophobicContact CB-CG 4.3Å
179	K	97.9	Very high	96.5	Very high	100 Å²	100	50.3 Å²	50.3	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-48.1	177.8	-177.7	-178.6	169.9	-65.7	0	111.3	E175 E176 A177 I181 N182 D183	E175-K179 WeakPolarHBondContact O-CB 3.42Å; E175-K179 PolarHBondContact O-N 2.65Å; E176-K179 WeakPolarHBondContact O-CB 3.35Å; E176-K179 PolarHBondContact O-N 2.61Å; A177-K179 VanDerWaalsContact C-N 3.32Å; A177-K179 PolarHBondContact O-N 3.19Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 3.38Å; K179-N182 PolarHBondContact O-N 3.14Å; K179-N182 VanDerWaalsContact O-N 3.16Å; K179-D183 IonicContact NZ-OD2 2.75Å; K179-D183 PolarHBondContact NZ-OD2 3.38Å; K179-D183 WeakPolarHBondContact O-CB 3.29Å; K179-D183 PolarHBondContact O-N 2.91Å
180	Q	98.1	Very high	96.2	Very high	73 Å²	73	56.6 Å²	56.6	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-40.5	178.7	-70.6	177.2	12.7	0	0	112.8	E176 A177 Y184	E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.08Å; E176-Q180 PolarHBondContact OE1-NE2 3.42Å; A177-Q180 PolarHBondContact O-N 3.28Å; Q180-Y184 WeakPolarHBondContact O-CB 3.4Å; Q180-Y184 PolarHBondContact O-N 3.42Å
181	I	97.9	Very high	96	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-45.3	175.1	-67.5	169.2	0	0	0	110.9	F143 F171 A177 K178 K179 Y184 V185 V197 L200 A207 V209	F143-I181 HydrophobicContact CB-CD1 4.3Å; F143-I181 HydrophobicContact CB-CG1 4.23Å; F143-I181 HydrophobicContact CD1-CG1 3.62Å; F143-I181 HydrophobicContact CD2-CD1 4.5Å; F143-I181 HydrophobicContact CD2-CG1 3.87Å; F143-I181 HydrophobicContact CE1-CB 4.46Å; F143-I181 HydrophobicContact CE1-CG1 3.83Å; F143-I181 HydrophobicContact CE2-CB 4.5Å; F143-I181 HydrophobicContact CE2-CG1 4.1Å; F143-I181 HydrophobicContact CE2-CG2 4.3Å; F143-I181 HydrophobicContact CG-CD1 4.2Å; F143-I181 HydrophobicContact CG-CG1 3.62Å; F143-I181 HydrophobicContact CZ-CB 4.37Å; F143-I181 HydrophobicContact CZ-CG1 4.07Å; F171-I181 HydrophobicContact CE1-CD1 4.31Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 2.85Å; A177-I181 PolarHBondContact O-N 3.25Å; A177-I181 VanDerWaalsContact O-N 3.08Å; K178-I181 PolarHBondContact O-N 2.99Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 3.38Å; I181-Y184 WeakPolarHBondContact O-CB 3.36Å; I181-V185 WeakPolarHBondContact O-CG2 3.17Å; I181-V185 PolarHBondContact O-N 3.25Å; I181-V197 HydrophobicContact CG2-CB 4.48Å; I181-V197 HydrophobicContact CG2-CG2 3.72Å; I181-L200 HydrophobicContact CD1-CD1 4.1Å; I181-L200 HydrophobicContact CD1-CD2 4.43Å; I181-A207 HydrophobicContact CD1-CB 4.17Å; I181-V209 HydrophobicContact CG2-CB 4.43Å; I181-V209 HydrophobicContact CG2-CG1 3.49Å; I181-V209 VanDerWaalsContact CG2-CG1 3.49Å; I181-V209 HydrophobicContact CG2-CG2 4.16Å
182	N	97.9	Very high	95.6	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.053	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-41.7	179.6	-74.5	-29.3	0	0	0	112.1	K178 K179 Y184 V185 E186 L196 V197	K178-N182 PolarHBondContact O-N 3.01Å; K178-N182 PolarHBondContact O-ND2 3.23Å; K179-N182 PolarHBondContact O-N 3.14Å; K179-N182 VanDerWaalsContact O-N 3.16Å; N182-Y184 VanDerWaalsContact C-N 3.27Å; N182-Y184 PolarHBondContact O-N 2.84Å; N182-V185 PolarHBondContact O-N 3.25Å; N182-E186 WeakPolarHBondContact O-CB 3.32Å; N182-E186 PolarHBondContact O-N 3.03Å; N182-L196 PolarHBondContact OD1-N 3.38Å; N182-V197 PolarHBondContact ND2-O 3.1Å; N182-V197 PolarHBondContact OD1-N 2.68Å
183	D	97.8	Very high	95.5	Very high	66 Å²	66	57 Å²	57	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-38.7	177	-72.2	-7.4	0	0	0	111	K179 K187	K179-D183 IonicContact NZ-OD2 2.75Å; K179-D183 PolarHBondContact NZ-OD2 3.38Å; K179-D183 WeakPolarHBondContact O-CB 3.29Å; K179-D183 PolarHBondContact O-N 2.91Å; D183-K187 VanDerWaalsContact O-CB 3.23Å; D183-K187 WeakPolarHBondContact O-CB 3.36Å; D183-K187 PolarHBondContact O-N 2.88Å
184	Y	97.2	Very high	95.3	Very high	25 Å²	25	56.1 Å²	56.1	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-51.3	174.4	169	-107.1	0	0	0	112	N140 F143 E165 F167 Q180 I181 N182 K187 G188 V209 Y211	N140-Y184 PolarHBondContact O-OH 3.2Å; F143-Y184 AromaticContact CE2-CD1 3.96Å; F143-Y184 HydrophobicContact CE2-CD1 3.96Å; F143-Y184 HydrophobicContact CE2-CG 4.47Å; F143-Y184 AromaticContact CZ-CD1 3.72Å; F143-Y184 HydrophobicContact CZ-CD1 3.72Å; F143-Y184 AromaticContact CZ-CG 3.77Å; F143-Y184 HydrophobicContact CZ-CG 3.77Å; E165-Y184 HydrophobicContact CB-CE2 4.39Å; E165-Y184 VanDerWaalsContact OE1-CE2 3.24Å; E165-Y184 WeakPolarHBondContact OE1-CE2 3.32Å; E165-Y184 PolarHBondContact OE1-OH 3.49Å; E165-Y184 VanDerWaalsContact OE1-OH 3.07Å; F167-Y184 AromaticContact CE2-CD2 3.62Å; F167-Y184 HydrophobicContact CE2-CD2 3.62Å; F167-Y184 AromaticContact CE2-CE2 3.61Å; F167-Y184 HydrophobicContact CE2-CE2 3.61Å; F167-Y184 HydrophobicContact CE2-CG 4.14Å; F167-Y184 AromaticContact CZ-CD2 3.61Å; F167-Y184 HydrophobicContact CZ-CD2 3.61Å; F167-Y184 AromaticContact CZ-CE2 3.62Å; F167-Y184 HydrophobicContact CZ-CE2 3.62Å; F167-Y184 HydrophobicContact CZ-CG 4.49Å; Q180-Y184 WeakPolarHBondContact O-CB 3.4Å; Q180-Y184 PolarHBondContact O-N 3.42Å; I181-Y184 WeakPolarHBondContact O-CB 3.36Å; N182-Y184 VanDerWaalsContact C-N 3.27Å; N182-Y184 PolarHBondContact O-N 2.84Å; Y184-K187 PolarHBondContact O-N 2.94Å; Y184-G188 PolarHBondContact O-N 3.29Å; Y184-V209 HydrophobicContact CD1-CG2 4.15Å; Y184-V209 HydrophobicContact CE1-CG2 4.32Å; Y184-Y211 HydrophobicContact CD1-CE1 4.34Å; Y184-Y211 HydrophobicContact CE1-CD1 4.45Å; Y184-Y211 AromaticContact CE1-CE1 3.68Å; Y184-Y211 HydrophobicContact CE1-CE1 3.68Å
185	V	96.2	Very high	95	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-41	-179.1	177.3	0	0	0	0	111	I181 N182 K187 G188 T189 I193 L196 V209 Y211	I181-V185 WeakPolarHBondContact O-CG2 3.17Å; I181-V185 PolarHBondContact O-N 3.25Å; N182-V185 PolarHBondContact O-N 3.25Å; V185-K187 PolarHBondContact O-N 2.79Å; V185-G188 PolarHBondContact O-N 3.49Å; V185-T189 HydrophobicContact CG1-CG2 4.37Å; V185-T189 WeakPolarHBondContact O-CB 3.39Å; V185-T189 VanDerWaalsContact O-CG2 3.28Å; V185-T189 WeakPolarHBondContact O-CG2 3.34Å; V185-T189 PolarHBondContact O-N 3.18Å; V185-T189 PolarHBondContact O-OG1 2.96Å; V185-I193 HydrophobicContact CG1-CB 3.84Å; V185-I193 HydrophobicContact CG1-CG2 3.48Å; V185-I193 VanDerWaalsContact CG1-CG2 3.48Å; V185-L196 HydrophobicContact CG1-CB 4.43Å; V185-L196 HydrophobicContact CG1-CD2 4.25Å; V185-L196 HydrophobicContact CG2-CD2 3.8Å; V185-V209 HydrophobicContact CG2-CB 4.35Å; V185-V209 HydrophobicContact CG2-CG2 3.94Å; V185-Y211 HydrophobicContact CB-CD1 4.26Å; V185-Y211 HydrophobicContact CG1-CD1 3.92Å; V185-Y211 HydrophobicContact CG1-CG 3.96Å; V185-Y211 HydrophobicContact CG2-CD1 3.89Å; V185-Y211 HydrophobicContact CG2-CE1 4.37Å
186	E	96.3	Very high	94.9	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-46	177.9	-173.8	174.7	-177.9	0	0	111.2	N182 T189 Q190 G191 I193 V194	N182-E186 WeakPolarHBondContact O-CB 3.32Å; N182-E186 PolarHBondContact O-N 3.03Å; E186-T189 CarbonylContact O-C 3.59Å; E186-T189 PolarHBondContact O-N 3.3Å; E186-T189 PolarHBondContact O-OG1 3.43Å; E186-Q190 PolarHBondContact O-N 2.9Å; E186-G191 PolarHBondContact O-N 3.02Å; E186-I193 VanDerWaalsContact CA-O 3.29Å; E186-I193 WeakPolarHBondContact CA-O 3.26Å; E186-V194 HydrophobicContact CG-CG1 3.96Å
187	K	95.1	Very high	94.7	Very high	173 Å²	173	50.3 Å²	50.3	75%	0.752	25%	0.252	S	S	*	.	H	α-helix	trans	-63	-46.9	176.1	-177	-176.3	176.7	-171.4	0	111.7	D183 Y184 V185 T189 Q190	D183-K187 VanDerWaalsContact O-CB 3.23Å; D183-K187 WeakPolarHBondContact O-CB 3.36Å; D183-K187 PolarHBondContact O-N 2.88Å; Y184-K187 PolarHBondContact O-N 2.94Å; V185-K187 PolarHBondContact O-N 2.79Å; K187-T189 PolarHBondContact O-N 2.69Å; K187-Q190 PolarHBondContact O-N 3.38Å; K187-Q190 PolarHBondContact O-NE2 3.34Å
188	G	90.1	Very high	94.4	Very high	16 Å²	16	56.8 Å²	56.8	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-27.2	179.3	0	0	0	0	0	113.6	T137 Y184 V185 Q190 Y211	T137-G188 VanDerWaalsContact CG2-O 3.24Å; T137-G188 WeakPolarHBondContact CG2-O 3.16Å; Y184-G188 PolarHBondContact O-N 3.29Å; V185-G188 PolarHBondContact O-N 3.49Å; G188-Q190 PolarHBondContact O-NE2 2.93Å; G188-Y211 WeakPolarHBondContact CA-OH 3.48Å
189	T	90.4	Very high	94.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	8	179.8	63.8	0	0	0	0	114	V185 E186 K187 G191 K192 I193 Y211	V185-T189 HydrophobicContact CG1-CG2 4.37Å; V185-T189 WeakPolarHBondContact O-CB 3.39Å; V185-T189 VanDerWaalsContact O-CG2 3.28Å; V185-T189 WeakPolarHBondContact O-CG2 3.34Å; V185-T189 PolarHBondContact O-N 3.18Å; V185-T189 PolarHBondContact O-OG1 2.96Å; E186-T189 CarbonylContact O-C 3.59Å; E186-T189 PolarHBondContact O-N 3.3Å; E186-T189 PolarHBondContact O-OG1 3.43Å; K187-T189 PolarHBondContact O-N 2.69Å; T189-G191 PolarHBondContact O-N 3.39Å; T189-K192 VanDerWaalsContact O-CB 3.31Å; T189-K192 WeakPolarHBondContact O-CB 3.24Å; T189-K192 WeakPolarHBondContact O-CG 3.24Å; T189-K192 PolarHBondContact O-N 2.98Å; T189-I193 HydrophobicContact CG2-CB 4.03Å; T189-I193 HydrophobicContact CG2-CD1 3.96Å; T189-I193 HydrophobicContact CG2-CG1 4.04Å; T189-I193 PolarHBondContact OG1-N 3.04Å; T189-Y211 HydrophobicContact CG2-CD2 3.23Å; T189-Y211 HydrophobicContact CG2-CE2 3.52Å; T189-Y211 HydrophobicContact CG2-CG 3.99Å
190	Q	90.9	Very high	94	Very high	135 Å²	135	58.7 Å²	58.7	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	44.8	-177.8	-57.2	76.6	53	0	0	112.6	E186 K187 G188 K192	E186-Q190 PolarHBondContact O-N 2.9Å; K187-Q190 PolarHBondContact O-N 3.38Å; K187-Q190 PolarHBondContact O-NE2 3.34Å; G188-Q190 PolarHBondContact O-NE2 2.93Å; Q190-K192 VanDerWaalsContact C-N 3.35Å; Q190-K192 PolarHBondContact O-N 3.15Å
191	G	91.8	Very high	93.8	Very high	39 Å²	39	59.7 Å²	59.7	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	4.3	178.7	0	0	0	0	0	115.2	E186 T189	E186-G191 PolarHBondContact O-N 3.02Å; T189-G191 PolarHBondContact O-N 3.39Å
192	K	90.6	Very high	93.7	Very high	131 Å²	131	71.1 Å²	71.1	57%	0.57	34%	0.343	S	S	*	.	S	Bend	trans	-76.5	-28.5	179	-62.4	-62.1	178.4	-168.7	0	113.1	T189 Q190 F213	T189-K192 VanDerWaalsContact O-CB 3.31Å; T189-K192 WeakPolarHBondContact O-CB 3.24Å; T189-K192 WeakPolarHBondContact O-CG 3.24Å; T189-K192 PolarHBondContact O-N 2.98Å; Q190-K192 VanDerWaalsContact C-N 3.35Å; Q190-K192 PolarHBondContact O-N 3.15Å; K192-F213 HydrophobicContact CB-CD2 4.14Å; K192-F213 HydrophobicContact CB-CE2 4.32Å; K192-F213 HydrophobicContact CB-CG 4.45Å; K192-F213 HydrophobicContact CD-CE2 4.29Å; K192-F213 HydrophobicContact CD-CZ 4.31Å; K192-F213 HydrophobicContact CG-CD2 4.26Å; K192-F213 HydrophobicContact CG-CE1 4.31Å; K192-F213 HydrophobicContact CG-CE2 4.04Å; K192-F213 HydrophobicContact CG-CG 4.5Å; K192-F213 HydrophobicContact CG-CZ 4.06Å
193	I	92.2	Very high	93.5	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-121.8	109.9	175.2	-61.8	-179.3	0	0	0	108.4	V185 E186 T189 L196 K359 V361	V185-I193 HydrophobicContact CG1-CB 3.84Å; V185-I193 HydrophobicContact CG1-CG2 3.48Å; V185-I193 VanDerWaalsContact CG1-CG2 3.48Å; E186-I193 VanDerWaalsContact CA-O 3.29Å; E186-I193 WeakPolarHBondContact CA-O 3.26Å; T189-I193 HydrophobicContact CG2-CB 4.03Å; T189-I193 HydrophobicContact CG2-CD1 3.96Å; T189-I193 HydrophobicContact CG2-CG1 4.04Å; T189-I193 PolarHBondContact OG1-N 3.04Å; I193-L196 HydrophobicContact CG2-CB 4.31Å; I193-K359 HydrophobicContact CD1-CB 4.41Å; I193-K359 HydrophobicContact CD1-CD 4.39Å; I193-K359 HydrophobicContact CD1-CG 4.04Å; I193-K359 HydrophobicContact CG2-CD 3.62Å; I193-K359 HydrophobicContact CG2-CG 4.38Å; I193-V361 HydrophobicContact CD1-CG2 3.82Å; I193-V361 HydrophobicContact CG1-CG2 3.78Å
194	V	93	Very high	93.5	Very high	64 Å²	64	72 Å²	72	39%	0.388	35%	0.348	S	S	.	.			trans	-112.6	154.4	173.2	-60.1	0	0	0	0	110.2	E186 L196	E186-V194 HydrophobicContact CG-CG1 3.96Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.4Å
195	D	91.8	Very high	93.5	Very high	90 Å²	90	73.1 Å²	73.1	48%	0.481	36%	0.357	S	S	.	.			trans	44.7	53.3	176.5	-60.6	-36.4	0	0	0	113.3	K198	D195-K198 VanDerWaalsContact O-CE 3.25Å; D195-K198 WeakPolarHBondContact O-CE 3.45Å; D195-K198 PolarHBondContact O-NZ 3.49Å
196	L	93.5	Very high	93.6	Very high	10 Å²	10	73.1 Å²	73.1	5%	0.052	36%	0.357	C	S	.	.			trans	-61.4	-52.3	178.9	174	64.5	0	0	0	111	N182 V185 I193 V194 V209 T320 V357 K359	N182-L196 PolarHBondContact OD1-N 3.38Å; V185-L196 HydrophobicContact CG1-CB 4.43Å; V185-L196 HydrophobicContact CG1-CD2 4.25Å; V185-L196 HydrophobicContact CG2-CD2 3.8Å; I193-L196 HydrophobicContact CG2-CB 4.31Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.4Å; L196-V209 HydrophobicContact CD2-CB 3.82Å; L196-V209 HydrophobicContact CD2-CG1 3.87Å; L196-T320 HydrophobicContact CD1-CG2 4.32Å; L196-V357 HydrophobicContact CD1-CG1 3.71Å; L196-V357 HydrophobicContact CD2-CG1 4.44Å; L196-V357 HydrophobicContact CG-CG1 4.04Å; L196-K359 HydrophobicContact CD1-CB 3.33Å; L196-K359 HydrophobicContact CD1-CD 3.47Å; L196-K359 VanDerWaalsContact CD1-CD 3.47Å; L196-K359 HydrophobicContact CD1-CG 4.06Å
197	V	94.2	Very high	93.7	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.036	34%	0.341	C	S	.	.			trans	-93.2	118.8	178.7	-179.7	0	0	0	0	108.4	K178 I181 N182 E199 L200 V209 V357	K178-V197 HydrophobicContact CG-CG1 4.41Å; I181-V197 HydrophobicContact CG2-CB 4.48Å; I181-V197 HydrophobicContact CG2-CG2 3.72Å; N182-V197 PolarHBondContact ND2-O 3.1Å; N182-V197 PolarHBondContact OD1-N 2.68Å; V197-E199 WeakPolarHBondContact CG1-O 3.31Å; V197-L200 HydrophobicContact CG1-CD2 3.73Å; V197-L200 HydrophobicContact CG1-CG 3.98Å; V197-V209 HydrophobicContact CG2-CG1 3.95Å; V197-V357 HydrophobicContact CG2-CG2 4.49Å
198	K	92.3	Very high	93.8	Very high	136 Å²	136	61.2 Å²	61.2	59%	0.591	31%	0.305	S	S	*	.			trans	-85.5	-40.6	178.8	-59.4	-52.4	-171	-168.4	0	112.3	K178 D195	K178-K198 WeakPolarHBondContact CD-O 3.29Å; D195-K198 VanDerWaalsContact O-CE 3.25Å; D195-K198 WeakPolarHBondContact O-CE 3.45Å; D195-K198 PolarHBondContact O-NZ 3.49Å
199	E	92.8	Very high	94.2	Very high	157 Å²	157	60.5 Å²	60.5	73%	0.734	30%	0.297	S	S	*	.			trans	-142.8	146.4	-174.5	-63.3	-177.7	171.4	0	0	109.8	V197	V197-E199 WeakPolarHBondContact CG1-O 3.31Å
200	L	94.9	Very high	94.5	Very high	22 Å²	22	60.5 Å²	60.5	12%	0.115	30%	0.297	C	S	.	.			trans	-123.1	133.6	170.5	-71.6	178.4	0	0	0	108.4	F171 A177 K178 I181 V197 T204	F171-L200 HydrophobicContact CD1-CD1 4.33Å; F171-L200 HydrophobicContact CE1-CD1 4.19Å; A177-L200 HydrophobicContact CB-CD1 3.99Å; K178-L200 HydrophobicContact CB-CD1 3.9Å; K178-L200 HydrophobicContact CB-CG 4.3Å; I181-L200 HydrophobicContact CD1-CD1 4.1Å; I181-L200 HydrophobicContact CD1-CD2 4.43Å; V197-L200 HydrophobicContact CG1-CD2 3.73Å; V197-L200 HydrophobicContact CG1-CG 3.98Å; L200-T204 HydrophobicContact CD2-CG2 4.32Å
201	D	94.1	Very high	94.7	Very high	95 Å²	95	54.7 Å²	54.7	51%	0.508	27%	0.269	S	S	.	.			trans	-70.8	148	174	-65.1	-50.2	0	0	0	110.1	D203 T204	D201-D203 WeakPolarHBondContact CB-OD1 3.44Å; D201-D203 PolarHBondContact O-N 3.39Å; D201-T204 PolarHBondContact N-OG1 2.97Å; D201-T204 WeakPolarHBondContact O-CB 3.48Å; D201-T204 PolarHBondContact O-N 3.16Å; D201-T204 PolarHBondContact O-OG1 3.02Å
202	R	94.1	Very high	94.8	Very high	239 Å²	239	53 Å²	53	90%	0.902	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.4	-179.4	-68.3	-175	-178.8	177.9	0.5	113.9	T204	R202-T204 VanDerWaalsContact C-N 3.34Å
203	D	94	Very high	94.8	Very high	90 Å²	90	47.7 Å²	47.7	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	10.5	175.6	76.1	-38.9	0	0	0	112.8	D201 V205 K352	D201-D203 WeakPolarHBondContact CB-OD1 3.44Å; D201-D203 PolarHBondContact O-N 3.39Å; D203-V205 PolarHBondContact O-N 3.06Å; D203-K352 IonicContact OD2-NZ 3.86Å; D203-K352 PolarHBondContact OD2-NZ 3.26Å
204	T	97.3	Very high	94.6	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.025	23%	0.228	C	C	.	.			trans	-62	122.3	175.4	-59.1	0	0	0	0	109.8	F171 L200 D201 R202 A207	F171-T204 WeakPolarHBondContact CB-O 3.3Å; F171-T204 HydrophobicContact CD1-CG2 3.66Å; F171-T204 HydrophobicContact CE1-CG2 3.49Å; F171-T204 VanDerWaalsContact CE1-CG2 3.49Å; F171-T204 HydrophobicContact CE2-CG2 4.45Å; F171-T204 HydrophobicContact CG-CG2 4.23Å; F171-T204 VanDerWaalsContact CG-O 3.23Å; F171-T204 WeakPolarHBondContact CG-O 3.17Å; F171-T204 HydrophobicContact CZ-CG2 3.92Å; L200-T204 HydrophobicContact CD2-CG2 4.32Å; D201-T204 PolarHBondContact N-OG1 2.97Å; D201-T204 WeakPolarHBondContact O-CB 3.48Å; D201-T204 PolarHBondContact O-N 3.16Å; D201-T204 PolarHBondContact O-OG1 3.02Å; R202-T204 VanDerWaalsContact C-N 3.34Å; T204-A207 HydrophobicContact CG2-CB 4.43Å
205	V	97	Very high	94.2	Very high	50 Å²	50	47.4 Å²	47.4	30%	0.303	22%	0.222	S	C	.	.			trans	-121.8	-16	175.5	-68.5	0	0	0	0	113	S145 D203 L351 S354	S145-V205 PolarHBondContact N-O 3.14Å; D203-V205 PolarHBondContact O-N 3.06Å; V205-L351 HydrophobicContact CB-CD1 4.32Å; V205-L351 HydrophobicContact CG2-CD1 3.85Å; V205-S354 PolarHBondContact N-OG 2.95Å
206	F	98.4	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	124	179.4	-176.1	-164.3	0	0	0	109.8	L88 L142 F143 L144 L342 L351 K352 L353 S354 K355	L88-F206 HydrophobicContact CD1-CE1 3.77Å; L88-F206 HydrophobicContact CD1-CZ 3.8Å; L142-F206 HydrophobicContact CB-CE2 4.07Å; L142-F206 HydrophobicContact CD2-CE2 3.97Å; L142-F206 HydrophobicContact CD2-CZ 4.05Å; L142-F206 HydrophobicContact CG-CE2 4.49Å; F143-F206 CarbonylContact O-C 3.57Å; F143-F206 WeakPolarHBondContact O-CA 3.44Å; F143-F206 WeakPolarHBondContact O-CD2 3.41Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD2-CD1 4.49Å; L144-F206 HydrophobicContact CD2-CD2 3.91Å; L144-F206 HydrophobicContact CD2-CE2 3.98Å; L144-F206 HydrophobicContact CD2-CG 4.19Å; L144-F206 HydrophobicContact CD2-CZ 4.28Å; L144-F206 HydrophobicContact CG-CD2 3.75Å; L144-F206 HydrophobicContact CG-CE2 3.87Å; L144-F206 HydrophobicContact CG-CG 4.44Å; F206-L342 HydrophobicContact CD1-CD1 4.29Å; F206-L342 HydrophobicContact CE1-CD1 4.45Å; F206-L342 HydrophobicContact CE1-CD2 4.4Å; F206-L351 HydrophobicContact CB-CD1 4.06Å; F206-L351 HydrophobicContact CD1-CD2 4.09Å; F206-L351 HydrophobicContact CD1-CG 4.29Å; F206-K352 WeakPolarHBondContact CB-O 3.45Å; F206-L353 HydrophobicContact CD1-CB 4.35Å; F206-L353 HydrophobicContact CD1-CD1 3.92Å; F206-L353 HydrophobicContact CD2-CD1 4.16Å; F206-L353 HydrophobicContact CE1-CD1 4.1Å; F206-L353 HydrophobicContact CE2-CD1 4.31Å; F206-L353 HydrophobicContact CG-CD1 3.96Å; F206-L353 HydrophobicContact CZ-CD1 4.29Å; F206-S354 WeakPolarHBondContact O-CA 3.28Å; F206-S354 VanDerWaalsContact O-CB 3.29Å; F206-S354 WeakPolarHBondContact O-CB 3.49Å; F206-S354 PolarHBondContact O-N 3.23Å; F206-K355 PolarHBondContact O-N 2.96Å
207	A	98.4	Very high	93.6	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.6	174.6	0	0	0	0	0	111.4	F143 F171 I181 T204 K355	F143-A207 HydrophobicContact CB-CB 4.38Å; F143-A207 PolarHBondContact N-O 3.34Å; F143-A207 PolarHBondContact O-N 3.05Å; F171-A207 HydrophobicContact CZ-CB 4.24Å; I181-A207 HydrophobicContact CD1-CB 4.17Å; T204-A207 HydrophobicContact CG2-CB 4.43Å; A207-K355 CarbonylContact C-O 3.51Å; A207-K355 VanDerWaalsContact CA-O 3.31Å; A207-K355 WeakPolarHBondContact CA-O 3.5Å; A207-K355 HydrophobicContact CB-CB 4.11Å
208	L	98.4	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	171.9	-178	156.2	0	0	0	108.7	A84 L142 N210 L353 K355 A356 V357	A84-L208 HydrophobicContact CB-CD1 4.41Å; A84-L208 HydrophobicContact CB-CD2 4.32Å; L142-L208 HydrophobicContact CD2-CB 4.21Å; L142-L208 HydrophobicContact CD2-CD1 3.75Å; L142-L208 HydrophobicContact CD2-CG 3.93Å; L208-N210 HydrophobicContact CD2-CB 4.22Å; L208-L353 HydrophobicContact CB-CD1 3.85Å; L208-L353 HydrophobicContact CB-CD2 4.32Å; L208-K355 PolarHBondContact N-O 2.91Å; L208-A356 HydrophobicContact CB-CB 4.45Å; L208-A356 VanDerWaalsContact O-CA 3.28Å; L208-A356 WeakPolarHBondContact O-CA 3.41Å; L208-V357 PolarHBondContact O-N 3.32Å
209	V	97.6	Very high	93.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	168.9	-65.2	0	0	0	0	109.8	G141 F143 I181 Y184 V185 L196 V197	G141-V209 PolarHBondContact N-O 2.96Å; G141-V209 PolarHBondContact O-N 2.96Å; F143-V209 HydrophobicContact CD2-CG2 4.13Å; F143-V209 HydrophobicContact CE2-CG2 3.53Å; I181-V209 HydrophobicContact CG2-CB 4.43Å; I181-V209 HydrophobicContact CG2-CG1 3.49Å; I181-V209 VanDerWaalsContact CG2-CG1 3.49Å; I181-V209 HydrophobicContact CG2-CG2 4.16Å; Y184-V209 HydrophobicContact CD1-CG2 4.15Å; Y184-V209 HydrophobicContact CE1-CG2 4.32Å; V185-V209 HydrophobicContact CG2-CB 4.35Å; V185-V209 HydrophobicContact CG2-CG2 3.94Å; L196-V209 HydrophobicContact CD2-CB 3.82Å; L196-V209 HydrophobicContact CD2-CG1 3.87Å; V197-V209 HydrophobicContact CG2-CG1 3.95Å
210	N	96.7	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	173.2	175.1	-102.7	0	0	0	108.6	S80 A84 G139 N140 L208 V357 H358 K359	S80-N210 WeakPolarHBondContact CB-OD1 3.38Å; S80-N210 PolarHBondContact OG-ND2 2.91Å; S80-N210 PolarHBondContact OG-OD1 2.82Å; A84-N210 HydrophobicContact CB-CB 4.4Å; G139-N210 WeakPolarHBondContact O-CA 3.49Å; G139-N210 PolarHBondContact O-ND2 3.21Å; N140-N210 PolarHBondContact OD1-ND2 3.46Å; L208-N210 HydrophobicContact CD2-CB 4.22Å; N210-V357 PolarHBondContact N-O 2.81Å; N210-H358 CarbonylContact O-C 3.58Å; N210-H358 WeakPolarHBondContact O-CA 3.43Å; N210-H358 PolarHBondContact OD1-CE1 2.89Å; N210-H358 VanDerWaalsContact OD1-CE1 3.28Å; N210-H358 PolarHBondContact OD1-ND1 2.82Å; N210-K359 PolarHBondContact O-N 3.35Å
211	Y	95.6	Very high	93.2	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.5	177	66.6	-93.6	0	0	0	110.8	T138 G139 Y184 V185 G188 T189 K359	T138-Y211 WeakPolarHBondContact CA-O 3.17Å; T138-Y211 PolarHBondContact OG1-O 3.45Å; G139-Y211 PolarHBondContact N-O 2.97Å; G139-Y211 PolarHBondContact O-N 3.21Å; Y184-Y211 HydrophobicContact CD1-CE1 4.34Å; Y184-Y211 HydrophobicContact CE1-CD1 4.45Å; Y184-Y211 AromaticContact CE1-CE1 3.68Å; Y184-Y211 HydrophobicContact CE1-CE1 3.68Å; V185-Y211 HydrophobicContact CB-CD1 4.26Å; V185-Y211 HydrophobicContact CG1-CD1 3.92Å; V185-Y211 HydrophobicContact CG1-CG 3.96Å; V185-Y211 HydrophobicContact CG2-CD1 3.89Å; V185-Y211 HydrophobicContact CG2-CE1 4.37Å; G188-Y211 WeakPolarHBondContact CA-OH 3.48Å; T189-Y211 HydrophobicContact CG2-CD2 3.23Å; T189-Y211 HydrophobicContact CG2-CE2 3.52Å; T189-Y211 HydrophobicContact CG2-CG 3.99Å; Y211-K359 WeakPolarHBondContact CA-O 3.38Å
212	I	94.3	Very high	93.2	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	133.4	175.2	-170.2	167.6	0	0	0	110.6	S77 L136 T137 K359 A360 V361 F408	S77-I212 WeakPolarHBondContact OG-CD1 3.49Å; L136-I212 HydrophobicContact CD1-CD1 3.96Å; L136-I212 HydrophobicContact CD1-CG1 4.01Å; T137-I212 CarbonylContact O-C 3.57Å; T137-I212 WeakPolarHBondContact O-CA 3.36Å; I212-K359 PolarHBondContact N-O 3.24Å; I212-A360 HydrophobicContact CG2-CB 3.67Å; I212-A360 CarbonylContact O-C 3.54Å; I212-A360 WeakPolarHBondContact O-CA 3.4Å; I212-V361 PolarHBondContact O-N 2.82Å; I212-F408 HydrophobicContact CB-CE1 4.42Å; I212-F408 HydrophobicContact CD1-CE1 3.85Å; I212-F408 HydrophobicContact CD1-CZ 3.66Å; I212-F408 HydrophobicContact CG1-CE1 3.89Å; I212-F408 HydrophobicContact CG1-CZ 3.7Å; I212-F408 HydrophobicContact CG2-CE1 3.75Å; I212-F408 HydrophobicContact CG2-CZ 4.44Å
213	F	90.6	Very high	93	Very high	19 Å²	19	26.6 Å²	26.6	8%	0.083	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.5	179.4	169.2	-104.5	0	0	0	109.1	T137 K192 K215 V361	T137-F213 PolarHBondContact N-O 3.4Å; T137-F213 PolarHBondContact O-N 3.49Å; K192-F213 HydrophobicContact CB-CD2 4.14Å; K192-F213 HydrophobicContact CB-CE2 4.32Å; K192-F213 HydrophobicContact CB-CG 4.45Å; K192-F213 HydrophobicContact CD-CE2 4.29Å; K192-F213 HydrophobicContact CD-CZ 4.31Å; K192-F213 HydrophobicContact CG-CD2 4.26Å; K192-F213 HydrophobicContact CG-CE1 4.31Å; K192-F213 HydrophobicContact CG-CE2 4.04Å; K192-F213 HydrophobicContact CG-CG 4.5Å; K192-F213 HydrophobicContact CG-CZ 4.06Å; F213-K215 HydrophobicContact CE1-CB 4.1Å; F213-K215 HydrophobicContact CZ-CB 3.87Å; F213-V361 WeakPolarHBondContact CA-O 3.47Å; F213-V361 HydrophobicContact CD2-CB 3.97Å; F213-V361 HydrophobicContact CD2-CG1 3.81Å; F213-V361 HydrophobicContact CE2-CG1 4.14Å
214	F	88.2	Confident	93	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.1	177.4	179.5	-93.3	0	0	0	112.4	L134 Q135 L136 Y268 V361 L362 T363 M398 F408	L134-F214 HydrophobicContact CD1-CE2 3.42Å; L134-F214 VanDerWaalsContact CD1-CE2 3.42Å; L134-F214 HydrophobicContact CD1-CZ 3.82Å; L134-F214 HydrophobicContact CD2-CE2 4.14Å; L134-F214 HydrophobicContact CG-CD2 4.42Å; L134-F214 HydrophobicContact CG-CE2 3.61Å; L134-F214 HydrophobicContact CG-CZ 4.49Å; Q135-F214 WeakPolarHBondContact O-CA 3.35Å; L136-F214 HydrophobicContact CB-CD2 4.31Å; L136-F214 HydrophobicContact CD1-CB 4.12Å; L136-F214 HydrophobicContact CD1-CD2 3.78Å; L136-F214 HydrophobicContact CD1-CG 4.43Å; F214-Y268 HydrophobicContact CE1-CE1 4.05Å; F214-Y268 HydrophobicContact CE1-CE2 4.04Å; F214-Y268 AromaticContact CE1-CZ 3.77Å; F214-Y268 HydrophobicContact CZ-CD1 4.3Å; F214-Y268 HydrophobicContact CZ-CD2 4.07Å; F214-Y268 HydrophobicContact CZ-CE1 4.28Å; F214-Y268 HydrophobicContact CZ-CE2 4.03Å; F214-Y268 HydrophobicContact CZ-CG 4.2Å; F214-V361 PolarHBondContact N-O 3.35Å; F214-L362 HydrophobicContact CD1-CD1 3.43Å; F214-L362 VanDerWaalsContact CD1-CD1 3.43Å; F214-L362 HydrophobicContact CE1-CD1 4.09Å; F214-L362 HydrophobicContact CG-CD1 4.4Å; F214-T363 PolarHBondContact O-N 2.75Å; F214-M398 HydrophobicContact CD1-CE 3.74Å; F214-M398 HydrophobicContact CD1-SD 4.28Å; F214-M398 HydrophobicContact CD2-CE 4.34Å; F214-M398 HydrophobicContact CE1-CE 3.21Å; F214-M398 HydrophobicContact CE1-SD 4.18Å; F214-M398 HydrophobicContact CE2-CE 3.85Å; F214-M398 HydrophobicContact CG-CE 4.25Å; F214-M398 HydrophobicContact CZ-CE 3.26Å; F214-F408 HydrophobicContact CB-CE2 3.56Å; F214-F408 HydrophobicContact CB-CZ 3.54Å; F214-F408 HydrophobicContact CD2-CE2 4.11Å; F214-F408 AromaticContact CG-CE2 3.87Å; F214-F408 HydrophobicContact CG-CE2 3.87Å; F214-F408 HydrophobicContact CG-CZ 4.35Å
215	K	85.1	Confident	92.9	Very high	57 Å²	57	33.3 Å²	33.3	25%	0.248	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	89.3	168.7	-163.4	-175.3	-169.7	-153.6	0	111.3	Q135 F213 G368	Q135-K215 HydrophobicContact CB-CB 4.4Å; Q135-K215 WeakPolarHBondContact CB-O 3.49Å; Q135-K215 PolarHBondContact O-N 2.95Å; F213-K215 HydrophobicContact CE1-CB 4.1Å; F213-K215 HydrophobicContact CZ-CB 3.87Å; K215-G368 WeakPolarHBondContact CE-O 3.36Å; K215-G368 PolarHBondContact NZ-O 3.11Å
216	G	82.9	Confident	92.8	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	16%	0.161	C	C	.	.			trans	-78.1	155.3	-178.9	0	0	0	0	0	113.3	G368	G216-G368 WeakPolarHBondContact O-CA 3.08Å
217	K	89.4	Confident	92.8	Very high	49 Å²	49	34.9 Å²	34.9	21%	0.213	17%	0.17	C	C	.	.			trans	-112.3	125	168.2	-55.1	175.9	-163.3	-177.5	0	108.7	E219 Y268 L269 T369	K217-E219 PolarHBondContact O-N 3.08Å; K217-Y268 CarbonylContact O-C 3.58Å; K217-Y268 VanDerWaalsContact O-CA 3.24Å; K217-Y268 WeakPolarHBondContact O-CA 3.18Å; K217-Y268 WeakPolarHBondContact O-CB 3.46Å; K217-Y268 WeakPolarHBondContact O-CD1 3.48Å; K217-L269 HydrophobicContact CB-CB 4.28Å; K217-L269 HydrophobicContact CB-CD1 4.01Å; K217-L269 HydrophobicContact CB-CG 4.38Å; K217-L269 HydrophobicContact CD-CD1 4.31Å; K217-L269 PolarHBondContact O-N 3.37Å; K217-T369 HydrophobicContact CD-CG2 3.76Å; K217-T369 HydrophobicContact CG-CG2 4.37Å; K217-T369 VanDerWaalsContact NZ-CG2 3.32Å
218	W	91.8	Very high	92.8	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.027	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-62.2	138.9	178.7	-62.4	118.6	0	0	0	111.1	R220 M266 Y268 A274 F276 I364 D365	W218-R220 WeakPolarHBondContact CB-O 3.48Å; W218-R220 PolarHBondContact O-N 2.96Å; W218-M266 HydrophobicContact CD2-CE 4.16Å; W218-M266 HydrophobicContact CE3-CB 3.95Å; W218-M266 HydrophobicContact CE3-CE 4.15Å; W218-M266 HydrophobicContact CH2-CB 4.24Å; W218-M266 HydrophobicContact CZ3-CB 3.54Å; W218-Y268 HydrophobicContact CD2-CD1 4.13Å; W218-Y268 AromaticContact CD2-CE1 3.77Å; W218-Y268 HydrophobicContact CD2-CE1 3.77Å; W218-Y268 AromaticContact CE2-CE1 3.94Å; W218-Y268 AromaticContact CE3-CD1 3.65Å; W218-Y268 HydrophobicContact CE3-CD1 3.65Å; W218-Y268 HydrophobicContact CE3-CD2 4.43Å; W218-Y268 AromaticContact CE3-CE1 3.48Å; W218-Y268 HydrophobicContact CE3-CE1 3.48Å; W218-Y268 VanDerWaalsContact CE3-CE1 3.48Å; W218-Y268 HydrophobicContact CE3-CE2 4.29Å; W218-Y268 HydrophobicContact CE3-CG 4.16Å; W218-Y268 AromaticContact CE3-CZ 3.84Å; W218-Y268 AromaticContact CH2-CE1 3.64Å; W218-Y268 HydrophobicContact CH2-CE1 3.64Å; W218-Y268 AromaticContact CH2-CE2 3.85Å; W218-Y268 HydrophobicContact CH2-CE2 3.85Å; W218-Y268 AromaticContact CH2-CZ 3.24Å; W218-Y268 WeakPolarHBondContact CH2-OH 3.38Å; W218-Y268 AromaticContact CZ2-CE1 3.9Å; W218-Y268 HydrophobicContact CZ2-CE1 3.9Å; W218-Y268 AromaticContact CZ2-CZ 3.84Å; W218-Y268 WeakPolarHBondContact CZ2-OH 3.27Å; W218-Y268 AromaticContact CZ3-CD1 3.88Å; W218-Y268 HydrophobicContact CZ3-CD1 3.88Å; W218-Y268 AromaticContact CZ3-CD2 3.99Å; W218-Y268 HydrophobicContact CZ3-CD2 3.99Å; W218-Y268 AromaticContact CZ3-CE1 3.41Å; W218-Y268 HydrophobicContact CZ3-CE1 3.41Å; W218-Y268 VanDerWaalsContact CZ3-CE1 3.41Å; W218-Y268 AromaticContact CZ3-CE2 3.53Å; W218-Y268 HydrophobicContact CZ3-CE2 3.53Å; W218-Y268 HydrophobicContact CZ3-CG 4.17Å; W218-Y268 AromaticContact CZ3-CZ 3.23Å; W218-A274 HydrophobicContact CH2-CB 4Å; W218-A274 HydrophobicContact CZ3-CB 4.06Å; W218-F276 AromaticContact CH2-CE2 3.95Å; W218-F276 HydrophobicContact CH2-CE2 3.95Å; W218-F276 AromaticContact CH2-CZ 3.91Å; W218-F276 HydrophobicContact CH2-CZ 3.91Å; W218-F276 HydrophobicContact CZ2-CZ 4.45Å; W218-I364 HydrophobicContact CZ2-CG2 3.86Å; W218-D365 PolarHBondContact NE1-O 3.07Å
219	E	90.3	Very high	92.7	Very high	59 Å²	59	45.3 Å²	45.3	28%	0.276	22%	0.219	S	C	.	.	S	Bend	trans	-59.2	-41	170.3	-171.6	-165.7	153.2	0	0	109.7	K217 K267 L269 F376	K217-E219 PolarHBondContact O-N 3.08Å; E219-K267 HydrophobicContact CB-CB 4.12Å; E219-K267 WeakPolarHBondContact CB-O 3.36Å; E219-K267 PolarHBondContact N-O 3.36Å; E219-K267 WeakPolarHBondContact OE2-CB 3.31Å; E219-K267 VanDerWaalsContact OE2-CD 3.26Å; E219-K267 WeakPolarHBondContact OE2-CD 3.46Å; E219-L269 HydrophobicContact CB-CD2 4.42Å; E219-L269 HydrophobicContact CG-CD2 4.29Å; E219-F376 WeakPolarHBondContact O-CE2 3.41Å; E219-F376 WeakPolarHBondContact O-CZ 3.45Å
220	R	90.9	Very high	92.8	Very high	57 Å²	57	46.8 Å²	46.8	22%	0.215	23%	0.225	C	C	.	.	S	Bend	trans	-118.9	108.2	171.6	-55.9	-170.1	-173.9	-169.7	-5.6	108.1	W218 R247 R305 F376 E378	W218-R220 WeakPolarHBondContact CB-O 3.48Å; W218-R220 PolarHBondContact O-N 2.96Å; R220-R247 PolarHBondContact O-NH1 3.38Å; R220-R305 VanDerWaalsContact CZ-NH1 3.26Å; R220-R305 VanDerWaalsContact NH1-NH1 3.15Å; R220-F376 HydrophobicContact CG-CD1 4.5Å; R220-F376 HydrophobicContact CG-CG 4.47Å; R220-E378 WeakPolarHBondContact CD-OE1 3.48Å; R220-E378 IonicContact CZ-OE1 3.55Å; R220-E378 IonicContact NE-OE1 3.54Å; R220-E378 IonicContact NH1-OE1 2.66Å; R220-E378 PolarHBondContact NH1-OE1 2.95Å
221	P	92.6	Very high	92.9	Very high	42 Å²	42	50 Å²	50	27%	0.273	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-81.5	168.6	-173.6	32.5	-36.3	0	0	0	114.1	R247 E366 K367	P221-R247 WeakPolarHBondContact O-CD 3.42Å; P221-R247 PolarHBondContact O-NH1 2.78Å; P221-E366 WeakPolarHBondContact CA-O 3.15Å; P221-E366 VanDerWaalsContact CB-O 3.24Å; P221-E366 WeakPolarHBondContact CB-O 3.27Å; P221-K367 HydrophobicContact CB-CG 4.23Å
222	F	93.1	Very high	93	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-89.5	160	166.7	-62.1	-98.3	0	0	0	110.1	M245 R247 M266 L310 L312 E366	F222-M245 HydrophobicContact CB-CB 4.25Å; F222-M245 HydrophobicContact CD1-CB 3.84Å; F222-M245 HydrophobicContact CD2-CE 4.22Å; F222-M245 HydrophobicContact CD2-SD 4.24Å; F222-M245 HydrophobicContact CE1-CB 4.3Å; F222-M245 HydrophobicContact CE2-CE 4.11Å; F222-M245 HydrophobicContact CG-CB 3.96Å; F222-M245 HydrophobicContact CG-SD 4.47Å; F222-R247 HydrophobicContact CD1-CB 3.7Å; F222-R247 HydrophobicContact CE1-CB 3.99Å; F222-M266 HydrophobicContact CE2-CE 3.67Å; F222-M266 HydrophobicContact CE2-SD 4.39Å; F222-M266 HydrophobicContact CZ-CE 3.85Å; F222-M266 HydrophobicContact CZ-SD 4.2Å; F222-L310 HydrophobicContact CE1-CD2 4.1Å; F222-L310 HydrophobicContact CE1-CG 4.43Å; F222-L310 HydrophobicContact CZ-CD2 3.82Å; F222-L312 HydrophobicContact CE2-CD2 4.45Å; F222-L312 HydrophobicContact CZ-CB 4.24Å; F222-L312 HydrophobicContact CZ-CD2 4.27Å; F222-E366 HydrophobicContact CB-CB 3.99Å; F222-E366 HydrophobicContact CB-CG 4.12Å; F222-E366 PolarHBondContact N-O 2.88Å
223	E	91.4	Very high	93.2	Very high	98 Å²	98	52.9 Å²	52.9	46%	0.458	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-93.2	122.1	173.2	-63.9	-160.7	-153.9	0	0	110.6	K225 D226	E223-K225 HydrophobicContact CB-CG 4.16Å; E223-K225 PolarHBondContact O-N 2.84Å; E223-K225 VanDerWaalsContact O-N 3.12Å; E223-K225 WeakPolarHBondContact OE2-CE 3.35Å; E223-K225 IonicContact OE2-NZ 2.68Å; E223-K225 PolarHBondContact OE2-NZ 3.46Å; E223-D226 WeakPolarHBondContact CB-OD2 3.43Å; E223-D226 PolarHBondContact O-N 3.05Å
224	V	93.7	Very high	93.4	Very high	80 Å²	80	53.4 Å²	53.4	49%	0.485	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.2	-31.9	-178.7	177.8	0	0	0	0	112.8	D226 T227 E366 K367	V224-D226 PolarHBondContact O-N 2.78Å; V224-T227 PolarHBondContact O-N 3.4Å; V224-E366 HydrophobicContact CG2-CB 3.87Å; V224-E366 HydrophobicContact CG2-CG 4.03Å; V224-K367 HydrophobicContact CG2-CD 4.37Å
225	K	94.1	Very high	93.7	Very high	154 Å²	154	57.2 Å²	57.2	67%	0.67	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-68.9	-19.1	179.4	68.4	179.4	-160.6	-145.9	0	113.4	E223	E223-K225 HydrophobicContact CB-CG 4.16Å; E223-K225 PolarHBondContact O-N 2.84Å; E223-K225 VanDerWaalsContact O-N 3.12Å; E223-K225 WeakPolarHBondContact OE2-CE 3.35Å; E223-K225 IonicContact OE2-NZ 2.68Å; E223-K225 PolarHBondContact OE2-NZ 3.46Å
226	D	95.8	Very high	93.9	Very high	53 Å²	53	63.1 Å²	63.1	28%	0.283	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-95.1	-7.5	-179.4	-60.7	-28.1	0	0	0	111.5	E223 V224 E228 K246	E223-D226 WeakPolarHBondContact CB-OD2 3.43Å; E223-D226 PolarHBondContact O-N 3.05Å; V224-D226 PolarHBondContact O-N 2.78Å; D226-E228 PolarHBondContact O-N 3.48Å; D226-K246 HydrophobicContact CB-CG 3.96Å; D226-K246 WeakPolarHBondContact O-CD 3.44Å; D226-K246 WeakPolarHBondContact O-CE 3.23Å; D226-K246 WeakPolarHBondContact O-CG 3.42Å
227	T	97.6	Very high	94.5	Very high	31 Å²	31	67.4 Å²	67.4	19%	0.19	34%	0.344	C	S	.	.			trans	-70.4	124.2	173.9	-59.6	0	0	0	0	110.3	V224 P243 M244 M245 E366	V224-T227 PolarHBondContact O-N 3.4Å; T227-P243 HydrophobicContact CG2-CB 4.11Å; T227-M244 WeakPolarHBondContact CA-O 3.48Å; T227-M245 HydrophobicContact CG2-CG 4.48Å; T227-E366 WeakPolarHBondContact CB-OE1 3.42Å; T227-E366 WeakPolarHBondContact OG1-CG 3.48Å; T227-E366 PolarHBondContact OG1-OE1 2.72Å
228	E	97.8	Very high	94.8	Very high	104 Å²	104	68 Å²	68	49%	0.486	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.7	-179.3	-72.9	170.3	-157.3	0	0	110.5	D226 E230 M244 K246	D226-E228 PolarHBondContact O-N 3.48Å; E228-E230 PolarHBondContact O-N 3.22Å; E228-M244 PolarHBondContact N-O 3.22Å; E228-M244 VanDerWaalsContact N-O 3.15Å; E228-M244 WeakPolarHBondContact O-CB 3.49Å; E228-M244 PolarHBondContact O-N 3.01Å; E228-K246 IonicContact OE1-NZ 2.81Å; E228-K246 PolarHBondContact OE1-NZ 3.48Å; E228-K246 IonicContact OE2-NZ 3.45Å; E228-K246 PolarHBondContact OE2-NZ 3.28Å
229	E	98.3	Very high	95	Very high	117 Å²	117	70.8 Å²	70.8	55%	0.547	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114	173.6	-71.2	-65.9	134.2	0	0	110.3	V242	E229-V242 WeakPolarHBondContact CA-O 3.49Å; E229-V242 PolarHBondContact OE2-N 2.96Å
230	E	98.5	Very high	95.4	Very high	31 Å²	31	69.3 Å²	69.3	15%	0.145	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	165.7	175.3	-66.1	-171.6	-142	0	0	111.5	E228 K241 V242 M244 H311	E228-E230 PolarHBondContact O-N 3.22Å; E230-K241 WeakPolarHBondContact O-CA 2.93Å; E230-V242 PolarHBondContact N-O 3.26Å; E230-V242 PolarHBondContact O-N 2.86Å; E230-M244 HydrophobicContact CB-CB 3.67Å; E230-M244 HydrophobicContact CB-CE 4.39Å; E230-M244 HydrophobicContact CB-CG 4.1Å; E230-M244 HydrophobicContact CG-CB 3.73Å; E230-M244 HydrophobicContact CG-CG 4.09Å; E230-H311 IonicContact OE1-CE1 3.41Å; E230-H311 PolarHBondContact OE1-CE1 3.4Å; E230-H311 IonicContact OE1-ND1 3.73Å; E230-H311 PolarHBondContact OE1-ND1 2.79Å; E230-H311 IonicContact OE2-ND1 3.58Å; E230-H311 PolarHBondContact OE2-ND1 3.15Å
231	D	98.4	Very high	95.7	Very high	68 Å²	68	72.1 Å²	72.1	36%	0.364	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.7	176.4	-75.6	-35.7	0	0	0	111.2	T239 K241 N391	D231-T239 HydrophobicContact CB-CG2 3.41Å; D231-T239 VanDerWaalsContact CB-CG2 3.41Å; D231-T239 WeakPolarHBondContact OD1-CG2 3.32Å; D231-K241 VanDerWaalsContact OD1-CD 3.31Å; D231-K241 WeakPolarHBondContact OD1-CD 3.5Å; D231-K241 WeakPolarHBondContact OD1-CE 3.24Å; D231-K241 IonicContact OD1-NZ 3.62Å; D231-K241 PolarHBondContact OD1-NZ 3.49Å; D231-K241 IonicContact OD2-NZ 2.81Å; D231-K241 PolarHBondContact OD2-NZ 3.45Å; D231-N391 WeakPolarHBondContact O-CB 3.38Å
232	F	98.6	Very high	96	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.1	167.8	-170.8	-75.9	0	0	0	109.8	V234 T239 V240 V242 F390 N391 K392 F394 V412 V413 P415	F232-V234 HydrophobicContact CD1-CG2 4.27Å; F232-V234 PolarHBondContact O-N 2.87Å; F232-T239 CarbonylContact O-C 3.54Å; F232-T239 VanDerWaalsContact O-CA 3.31Å; F232-T239 WeakPolarHBondContact O-CA 3.26Å; F232-V240 HydrophobicContact CB-CG2 3.97Å; F232-V240 HydrophobicContact CD1-CG2 4.47Å; F232-V240 PolarHBondContact N-O 3.01Å; F232-V240 PolarHBondContact O-N 2.95Å; F232-V242 HydrophobicContact CB-CG1 3.86Å; F232-V242 HydrophobicContact CB-CG2 3.91Å; F232-F390 WeakPolarHBondContact CE2-O 3.33Å; F232-N391 CarbonylContact C-O 3.6Å; F232-N391 WeakPolarHBondContact CA-O 2.93Å; F232-K392 VanDerWaalsContact CZ-O 3.31Å; F232-K392 WeakPolarHBondContact CZ-O 3.43Å; F232-F394 HydrophobicContact CE2-CD1 4.25Å; F232-F394 HydrophobicContact CE2-CE1 4.11Å; F232-F394 HydrophobicContact CZ-CD1 4.43Å; F232-V412 HydrophobicContact CZ-CG1 4.49Å; F232-V413 VanDerWaalsContact CE1-O 3.28Å; F232-V413 WeakPolarHBondContact CE1-O 3.47Å; F232-P415 HydrophobicContact CD1-CG 4.21Å; F232-P415 HydrophobicContact CD2-CG 3.49Å; F232-P415 VanDerWaalsContact CD2-CG 3.49Å; F232-P415 HydrophobicContact CE1-CG 4.32Å; F232-P415 HydrophobicContact CE2-CG 3.6Å; F232-P415 HydrophobicContact CG-CG 3.82Å; F232-P415 HydrophobicContact CZ-CG 4.01Å
233	H	98.1	Very high	96.2	Very high	78 Å²	78	72.2 Å²	72.2	36%	0.361	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	97.8	-179.2	-57.8	-78.8	0	0	0	110.1	D235 T238 T239 N391 K392 P393	H233-D235 VanDerWaalsContact C-N 3.28Å; H233-T238 CarbonylContact C-O 3.43Å; H233-T239 PolarHBondContact ND1-OG1 2.89Å; H233-N391 PolarHBondContact CD2-O 2.82Å; H233-N391 PolarHBondContact N-O 2.94Å; H233-K392 HydrophobicContact CB-CB 4.41Å; H233-K392 WeakPolarHBondContact O-CA 3.47Å; H233-P393 WeakPolarHBondContact O-CD 3.45Å
234	V	95.9	Very high	96.5	Very high	29 Å²	29	67.6 Å²	67.6	18%	0.176	36%	0.358	C	S	.	.	S	Bend	trans	-64.2	-39.2	176.2	178.6	0	0	0	0	110.2	F232 T238 V240 P393 V413 N414	F232-V234 HydrophobicContact CD1-CG2 4.27Å; F232-V234 PolarHBondContact O-N 2.87Å; V234-T238 HydrophobicContact CB-CG2 4.14Å; V234-T238 HydrophobicContact CG2-CG2 4.39Å; V234-T238 PolarHBondContact N-O 3.33Å; V234-V240 HydrophobicContact CG2-CG1 4.14Å; V234-V240 HydrophobicContact CG2-CG2 4.04Å; V234-P393 WeakPolarHBondContact O-CG 3.34Å; V234-V413 HydrophobicContact CG1-CG1 4.3Å; V234-N414 HydrophobicContact CG2-CB 4.09Å
235	D	93.3	Very high	96.7	Very high	80 Å²	80	63.8 Å²	63.8	43%	0.428	34%	0.335	S	S	.	.	S	Bend	trans	-150.4	-169.4	171.8	61.2	58.1	0	0	0	109.4	H233 A237 T238	H233-D235 VanDerWaalsContact C-N 3.28Å; D235-A237 VanDerWaalsContact C-N 3.25Å; D235-A237 PolarHBondContact O-N 3.34Å; D235-A237 WeakPolarHBondContact OD1-CA 3.46Å; D235-A237 PolarHBondContact OD1-N 3.33Å; D235-T238 PolarHBondContact N-O 2.95Å; D235-T238 WeakPolarHBondContact OD1-CB 3.37Å; D235-T238 PolarHBondContact OD1-N 3.31Å; D235-T238 PolarHBondContact OD1-OG1 3.12Å; D235-T238 VanDerWaalsContact OD1-OG1 3.14Å; D235-T238 VanDerWaalsContact OD2-CB 3.31Å; D235-T238 WeakPolarHBondContact OD2-CB 3.49Å; D235-T238 PolarHBondContact OD2-OG1 3.43Å
236	Q	90.4	Very high	96.9	Very high	182 Å²	182	58.6 Å²	58.6	85%	0.85	31%	0.313	S	S	*	.	S	Bend	trans	-65.4	-24.5	-178.9	-71.7	-176.2	-19	0	0	114.2
237	A	94.1	Very high	96.8	Very high	94 Å²	94	57.9 Å²	57.9	78%	0.777	31%	0.306	S	S	*	.	S	Bend	trans	-109.7	-21	-175.9	0	0	0	0	0	113.1	D235	D235-A237 VanDerWaalsContact C-N 3.25Å; D235-A237 PolarHBondContact O-N 3.34Å; D235-A237 WeakPolarHBondContact OD1-CA 3.46Å; D235-A237 PolarHBondContact OD1-N 3.33Å
238	T	95.9	Very high	96.7	Very high	62 Å²	62	60.5 Å²	60.5	38%	0.38	32%	0.318	S	S	.	.			trans	-109.2	120.8	-171.7	-50.3	0	0	0	0	111.4	H233 V234 D235	H233-T238 CarbonylContact C-O 3.43Å; V234-T238 HydrophobicContact CB-CG2 4.14Å; V234-T238 HydrophobicContact CG2-CG2 4.39Å; V234-T238 PolarHBondContact N-O 3.33Å; D235-T238 PolarHBondContact N-O 2.95Å; D235-T238 WeakPolarHBondContact OD1-CB 3.37Å; D235-T238 PolarHBondContact OD1-N 3.31Å; D235-T238 PolarHBondContact OD1-OG1 3.12Å; D235-T238 VanDerWaalsContact OD1-OG1 3.14Å; D235-T238 VanDerWaalsContact OD2-CB 3.31Å; D235-T238 WeakPolarHBondContact OD2-CB 3.49Å; D235-T238 PolarHBondContact OD2-OG1 3.43Å
239	T	97.3	Very high	96.6	Very high	65 Å²	65	55.6 Å²	55.6	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.8	175	-57.6	0	0	0	0	110.3	D231 F232 H233	D231-T239 HydrophobicContact CB-CG2 3.41Å; D231-T239 VanDerWaalsContact CB-CG2 3.41Å; D231-T239 WeakPolarHBondContact OD1-CG2 3.32Å; F232-T239 CarbonylContact O-C 3.54Å; F232-T239 VanDerWaalsContact O-CA 3.31Å; F232-T239 WeakPolarHBondContact O-CA 3.26Å; H233-T239 PolarHBondContact ND1-OG1 2.89Å
240	V	97.5	Very high	96.4	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.3	173.6	-61.2	0	0	0	0	110.3	F232 V234 V242 T416	F232-V240 HydrophobicContact CB-CG2 3.97Å; F232-V240 HydrophobicContact CD1-CG2 4.47Å; F232-V240 PolarHBondContact N-O 3.01Å; F232-V240 PolarHBondContact O-N 2.95Å; V234-V240 HydrophobicContact CG2-CG1 4.14Å; V234-V240 HydrophobicContact CG2-CG2 4.04Å; V240-V242 HydrophobicContact CG2-CG1 3.94Å; V240-T416 HydrophobicContact CG2-CG2 4.44Å
241	K	98	Very high	96.3	Very high	116 Å²	116	50.4 Å²	50.4	50%	0.504	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.7	173.3	-70.1	-62.6	-172.1	-170.2	0	110.4	E230 D231	E230-K241 WeakPolarHBondContact O-CA 2.93Å; D231-K241 VanDerWaalsContact OD1-CD 3.31Å; D231-K241 WeakPolarHBondContact OD1-CD 3.5Å; D231-K241 WeakPolarHBondContact OD1-CE 3.24Å; D231-K241 IonicContact OD1-NZ 3.62Å; D231-K241 PolarHBondContact OD1-NZ 3.49Å; D231-K241 IonicContact OD2-NZ 2.81Å; D231-K241 PolarHBondContact OD2-NZ 3.45Å
242	V	97.9	Very high	96.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.5	-179.9	-52.9	0	0	0	0	110.8	E229 E230 F232 V240 M244 P313 P415 T416	E229-V242 WeakPolarHBondContact CA-O 3.49Å; E229-V242 PolarHBondContact OE2-N 2.96Å; E230-V242 PolarHBondContact N-O 3.26Å; E230-V242 PolarHBondContact O-N 2.86Å; F232-V242 HydrophobicContact CB-CG1 3.86Å; F232-V242 HydrophobicContact CB-CG2 3.91Å; V240-V242 HydrophobicContact CG2-CG1 3.94Å; V242-M244 HydrophobicContact CG2-CE 3.77Å; V242-M244 PolarHBondContact O-N 2.63Å; V242-M244 VanDerWaalsContact O-N 3.11Å; V242-P313 HydrophobicContact CG2-CB 4.2Å; V242-P415 HydrophobicContact CB-CB 4.33Å; V242-P415 HydrophobicContact CG1-CB 3.73Å; V242-P415 HydrophobicContact CG1-CG 3.92Å; V242-T416 HydrophobicContact CG1-CG2 4.01Å
243	P	98	Very high	96.3	Very high	45 Å²	45	48.4 Å²	48.4	29%	0.292	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	111.4	169.3	24.9	-32.8	0	0	0	109.7	T227 K314	T227-P243 HydrophobicContact CG2-CB 4.11Å; P243-K314 HydrophobicContact CB-CB 4.22Å; P243-K314 HydrophobicContact CG-CB 4.04Å; P243-K314 PolarHBondContact O-N 2.93Å
244	M	98.4	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.9	-176.9	-168.7	66.2	67.1	0	0	109.7	T227 E228 E230 V242 H311 P313 N391	T227-M244 WeakPolarHBondContact CA-O 3.48Å; E228-M244 PolarHBondContact N-O 3.22Å; E228-M244 VanDerWaalsContact N-O 3.15Å; E228-M244 WeakPolarHBondContact O-CB 3.49Å; E228-M244 PolarHBondContact O-N 3.01Å; E230-M244 HydrophobicContact CB-CB 3.67Å; E230-M244 HydrophobicContact CB-CE 4.39Å; E230-M244 HydrophobicContact CB-CG 4.1Å; E230-M244 HydrophobicContact CG-CB 3.73Å; E230-M244 HydrophobicContact CG-CG 4.09Å; V242-M244 HydrophobicContact CG2-CE 3.77Å; V242-M244 PolarHBondContact O-N 2.63Å; V242-M244 VanDerWaalsContact O-N 3.11Å; M244-H311 HydrophobicContact CG-CB 3.8Å; M244-H311 HydrophobicContact SD-CB 3.95Å; M244-P313 HydrophobicContact CE-CB 4.23Å; M244-P313 HydrophobicContact SD-CB 4.21Å; M244-N391 HydrophobicContact CE-CB 4.06Å
245	M	97.9	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.2	173	-48.5	177.3	-64.7	0	0	108.1	F222 T227 H311 L312 K314 I364 E366	F222-M245 HydrophobicContact CB-CB 4.25Å; F222-M245 HydrophobicContact CD1-CB 3.84Å; F222-M245 HydrophobicContact CD2-CE 4.22Å; F222-M245 HydrophobicContact CD2-SD 4.24Å; F222-M245 HydrophobicContact CE1-CB 4.3Å; F222-M245 HydrophobicContact CE2-CE 4.11Å; F222-M245 HydrophobicContact CG-CB 3.96Å; F222-M245 HydrophobicContact CG-SD 4.47Å; T227-M245 HydrophobicContact CG2-CG 4.48Å; M245-H311 CarbonylContact O-C 3.54Å; M245-H311 VanDerWaalsContact O-CA 3.31Å; M245-H311 WeakPolarHBondContact O-CA 3.41Å; M245-L312 WeakPolarHBondContact CB-O 3.49Å; M245-L312 HydrophobicContact CE-CB 4.19Å; M245-L312 HydrophobicContact CE-CD2 3.99Å; M245-L312 HydrophobicContact CE-CG 4.17Å; M245-L312 WeakPolarHBondContact CE-O 3.08Å; M245-L312 PolarHBondContact N-O 2.91Å; M245-L312 PolarHBondContact O-N 3.38Å; M245-K314 HydrophobicContact CG-CB 4.21Å; M245-K314 HydrophobicContact SD-CB 4.35Å; M245-I364 HydrophobicContact CE-CG2 3.78Å; M245-E366 HydrophobicContact CG-CG 3.9Å; M245-E366 HydrophobicContact SD-CB 4.32Å; M245-E366 HydrophobicContact SD-CG 3.76Å; M245-E366 PolarHBondContact SD-N 2.8Å; M245-E366 VanDerWaalsContact SD-N 3.43Å
246	K	97.1	Very high	96.6	Very high	46 Å²	46	46 Å²	46	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.7	177	69.8	-160.4	-178.7	-165.4	0	112.5	D226 E228 L310	D226-K246 HydrophobicContact CB-CG 3.96Å; D226-K246 WeakPolarHBondContact O-CD 3.44Å; D226-K246 WeakPolarHBondContact O-CE 3.23Å; D226-K246 WeakPolarHBondContact O-CG 3.42Å; E228-K246 IonicContact OE1-NZ 2.81Å; E228-K246 PolarHBondContact OE1-NZ 3.48Å; E228-K246 IonicContact OE2-NZ 3.45Å; E228-K246 PolarHBondContact OE2-NZ 3.28Å; K246-L310 CarbonylContact C-O 3.55Å; K246-L310 WeakPolarHBondContact CA-O 3.44Å
247	R	95	Very high	96.9	Very high	37 Å²	37	46.3 Å²	46.3	14%	0.14	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	132.9	174.2	-172.4	-178.1	74.7	-164.3	1	111.2	R220 P221 F222 F251 L310	R220-R247 PolarHBondContact O-NH1 3.38Å; P221-R247 WeakPolarHBondContact O-CD 3.42Å; P221-R247 PolarHBondContact O-NH1 2.78Å; F222-R247 HydrophobicContact CD1-CB 3.7Å; F222-R247 HydrophobicContact CE1-CB 3.99Å; R247-F251 HydrophobicContact CB-CZ 4.35Å; R247-L310 PolarHBondContact N-O 3.45Å; R247-L310 PolarHBondContact O-N 2.76Å
248	L	95.1	Very high	97.1	Very high	87 Å²	87	47.5 Å²	47.5	46%	0.455	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.5	164.4	-171	65	0	0	0	109.5	A308 I380 P385	L248-A308 WeakPolarHBondContact CD1-O 3.12Å; L248-I380 HydrophobicContact CD2-CD1 4.25Å; L248-I380 HydrophobicContact CG-CD1 4Å; L248-P385 HydrophobicContact CD1-CB 4Å; L248-P385 HydrophobicContact CD1-CG 3.8Å
249	G	94.1	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-173.8	-178	0	0	0	0	0	114.5	F251 S307 A308 E378	G249-F251 VanDerWaalsContact O-CD2 3.27Å; G249-F251 WeakPolarHBondContact O-CD2 3.48Å; G249-S307 VanDerWaalsContact O-CA 3.28Å; G249-S307 WeakPolarHBondContact O-CA 3.31Å; G249-A308 PolarHBondContact N-O 2.86Å; G249-A308 PolarHBondContact O-N 3.35Å; G249-E378 WeakPolarHBondContact CA-OE2 3.4Å
250	M	95.4	Very high	97.3	Very high	35 Å²	35	42.6 Å²	42.6	17%	0.172	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102.3	179.2	-65.9	-60.8	-67.7	0	0	110.9	R305 R306 S307 E378	M250-R305 HydrophobicContact CB-CB 4.34Å; M250-R305 HydrophobicContact CE-CB 4.13Å; M250-R305 WeakPolarHBondContact CE-O 3.35Å; M250-R305 PolarHBondContact O-NH1 3.15Å; M250-R306 WeakPolarHBondContact CA-O 3.46Å; M250-S307 PolarHBondContact SD-N 2.78Å; M250-S307 VanDerWaalsContact SD-N 3.44Å; M250-E378 HydrophobicContact CG-CB 4.29Å; M250-E378 PolarHBondContact N-OE2 2.97Å
251	F	96.6	Very high	97.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.4	-175.5	-63.4	-88.5	0	0	0	111.7	R247 G249 I253 L264 M266 R305 R306 A308 L310	R247-F251 HydrophobicContact CB-CZ 4.35Å; G249-F251 VanDerWaalsContact O-CD2 3.27Å; G249-F251 WeakPolarHBondContact O-CD2 3.48Å; F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 HydrophobicContact CB-CB 3.99Å; F251-I253 HydrophobicContact CB-CG2 3.85Å; F251-I253 PolarHBondContact O-N 3.11Å; F251-I253 VanDerWaalsContact O-N 3.11Å; F251-L264 HydrophobicContact CB-CD1 3.99Å; F251-L264 HydrophobicContact CD1-CD1 3.95Å; F251-L264 HydrophobicContact CG-CD1 4.27Å; F251-M266 HydrophobicContact CE1-CE 4.41Å; F251-R305 CarbonylContact O-C 3.55Å; F251-R305 VanDerWaalsContact O-CA 3.24Å; F251-R305 WeakPolarHBondContact O-CA 3.34Å; F251-R306 PolarHBondContact N-O 3.46Å; F251-R306 PolarHBondContact O-N 2.93Å; F251-A308 HydrophobicContact CD2-CB 4.1Å; F251-L310 HydrophobicContact CD1-CD2 3.92Å; F251-L310 HydrophobicContact CD2-CB 4.48Å; F251-L310 HydrophobicContact CE1-CB 4.11Å; F251-L310 HydrophobicContact CE1-CD2 3.31Å; F251-L310 HydrophobicContact CE1-CG 4.34Å; F251-L310 HydrophobicContact CE2-CB 3.8Å; F251-L310 HydrophobicContact CZ-CB 3.58Å; F251-L310 HydrophobicContact CZ-CD2 3.67Å; F251-L310 HydrophobicContact CZ-CG 4.27Å
252	N	97.8	Very high	97.4	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	94.2	159.9	-177.6	-15.7	0	0	0	106.9	L265 N302	N252-L265 HydrophobicContact CB-CB 4.08Å; N252-L265 PolarHBondContact O-N 3.15Å; N252-N302 PolarHBondContact ND2-O 3.49Å
253	I	98.3	Very high	97.4	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.3	-171.6	-166.5	171.2	0	0	0	110.7	F251 W262 V263 L264 R306 A308 V388	F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 HydrophobicContact CB-CB 3.99Å; F251-I253 HydrophobicContact CB-CG2 3.85Å; F251-I253 PolarHBondContact O-N 3.11Å; F251-I253 VanDerWaalsContact O-N 3.11Å; I253-W262 HydrophobicContact CD1-CE3 4.19Å; I253-W262 HydrophobicContact CG1-CE3 3.98Å; I253-W262 HydrophobicContact CG1-CZ3 4.33Å; I253-V263 WeakPolarHBondContact CA-O 3.4Å; I253-L264 HydrophobicContact CB-CD1 4.24Å; I253-L264 HydrophobicContact CD1-CB 4.42Å; I253-L264 HydrophobicContact CD1-CD1 4.3Å; I253-L264 HydrophobicContact CG1-CB 4.33Å; I253-L264 HydrophobicContact CG1-CD1 4.41Å; I253-R306 HydrophobicContact CG2-CB 4.16Å; I253-A308 HydrophobicContact CD1-CB 4.4Å; I253-A308 HydrophobicContact CG2-CB 4.34Å; I253-V388 HydrophobicContact CD1-CB 4.08Å; I253-V388 HydrophobicContact CD1-CG1 4.08Å; I253-V388 HydrophobicContact CD1-CG2 3.76Å
254	Q	97.5	Very high	97.4	Very high	45 Å²	45	36.7 Å²	36.7	21%	0.21	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	152.6	179.8	59.3	-177.6	34.9	0	0	111.8	V263 N302	Q254-V263 HydrophobicContact CG-CB 4.29Å; Q254-V263 PolarHBondContact N-O 3.27Å; Q254-V263 PolarHBondContact O-N 2.96Å; Q254-N302 PolarHBondContact OE1-ND2 3.35Å
255	H	98	Very high	97.4	Very high	74 Å²	74	37.3 Å²	37.3	34%	0.343	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119	167.4	-170.5	-85.1	0	0	0	109.1	W262 D280	H255-W262 HydrophobicContact CB-CD2 4.24Å; H255-W262 HydrophobicContact CB-CE3 4.16Å; H255-W262 HydrophobicContact CB-CH2 4.44Å; H255-W262 HydrophobicContact CB-CZ2 4.49Å; H255-W262 HydrophobicContact CB-CZ3 4.27Å; H255-W262 AromaticContact CD2-CD1 3.85Å; H255-W262 AromaticContact CD2-CE2 3.93Å; H255-W262 AromaticContact CD2-NE1 3.78Å; H255-D280 IonicContact CD2-OD1 3.8Å; H255-D280 IonicContact CE1-OD1 3.93Å; H255-D280 IonicContact CE1-OD2 3.37Å; H255-D280 PolarHBondContact CE1-OD2 3.31Å; H255-D280 IonicContact NE2-OD1 2.91Å; H255-D280 PolarHBondContact NE2-OD1 2.78Å; H255-D280 IonicContact NE2-OD2 3.12Å; H255-D280 PolarHBondContact NE2-OD2 2.79Å; H255-D280 VanDerWaalsContact NE2-OD2 3.12Å
256	C	98	Very high	97.3	Very high	19 Å²	19	37.8 Å²	37.8	13%	0.128	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.6	179.4	-176.7	0	0	0	0	110	K258 L259 S260 S261 V263 F299	C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 2.91Å; C256-L259 HydrophobicContact CB-CB 4.22Å; C256-L259 HydrophobicContact CB-CG 4.43Å; C256-L259 PolarHBondContact O-N 3.07Å; C256-S260 WeakPolarHBondContact O-CA 3.5Å; C256-S260 PolarHBondContact O-N 3.48Å; C256-S261 PolarHBondContact N-O 3.33Å; C256-S261 PolarHBondContact O-N 2.74Å; C256-V263 HydrophobicContact CB-CG2 3.86Å; C256-F299 HydrophobicContact CB-CE1 4.31Å; C256-F299 HydrophobicContact CB-CZ 3.99Å
257	K	97.7	Very high	97.2	Very high	187 Å²	187	39.7 Å²	39.7	81%	0.813	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.3	177.4	-65.9	-176.8	-179.9	179.7	0	112.9	L259 S260	K257-L259 VanDerWaalsContact C-N 3.33Å; K257-L259 PolarHBondContact O-N 2.88Å; K257-S260 PolarHBondContact O-N 3.41Å
258	K	97.8	Very high	97.1	Very high	119 Å²	119	38.1 Å²	38.1	52%	0.517	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.6	179.5	-179.9	168.9	179.7	170.8	0	111.4	C256 H286 E290 I295	C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 2.91Å; K258-H286 PolarHBondContact O-NE2 3.41Å; K258-E290 WeakPolarHBondContact CE-OE2 3.28Å; K258-E290 IonicContact NZ-OE2 3.97Å; K258-I295 HydrophobicContact CD-CD1 3.99Å
259	L	98.2	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.9	178.4	-60.2	-176.2	0	0	0	113.4	C256 K257 S261 V263 F277 L287 E290 L291 I295 F299	C256-L259 HydrophobicContact CB-CB 4.22Å; C256-L259 HydrophobicContact CB-CG 4.43Å; C256-L259 PolarHBondContact O-N 3.07Å; K257-L259 VanDerWaalsContact C-N 3.33Å; K257-L259 PolarHBondContact O-N 2.88Å; L259-S261 PolarHBondContact O-N 2.91Å; L259-S261 PolarHBondContact O-OG 2.87Å; L259-V263 HydrophobicContact CD1-CG2 4.37Å; L259-F277 HydrophobicContact CD1-CD1 4.09Å; L259-F277 HydrophobicContact CD1-CE1 4.11Å; L259-L287 HydrophobicContact CB-CD1 4.08Å; L259-L287 HydrophobicContact CD1-CD1 3.98Å; L259-L287 HydrophobicContact CD2-CD1 4.36Å; L259-L287 HydrophobicContact CG-CD1 4.37Å; L259-E290 HydrophobicContact CD2-CB 3.67Å; L259-L291 HydrophobicContact CD1-CD2 4.22Å; L259-I295 HydrophobicContact CD1-CG2 4.04Å; L259-I295 HydrophobicContact CD2-CD1 4.28Å; L259-I295 HydrophobicContact CD2-CG2 4.49Å; L259-I295 HydrophobicContact CG-CG2 4.47Å; L259-F299 HydrophobicContact CD1-CE2 3.65Å; L259-F299 HydrophobicContact CD1-CZ 3.78Å
260	S	98.4	Very high	96.4	Very high	24 Å²	24	38.5 Å²	38.5	17%	0.168	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	50.8	-169.2	-56	0	0	0	0	111.3	C256 K257 D280	C256-S260 WeakPolarHBondContact O-CA 3.5Å; C256-S260 PolarHBondContact O-N 3.48Å; K257-S260 PolarHBondContact O-N 3.41Å; S260-D280 VanDerWaalsContact C-OD2 3.25Å; S260-D280 VanDerWaalsContact O-CB 3.32Å; S260-D280 WeakPolarHBondContact O-CB 3.44Å; S260-D280 PolarHBondContact O-N 2.92Å
261	S	98.7	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.9	-169.5	-60.6	0	0	0	0	111.6	C256 L259 L278 P279	C256-S261 PolarHBondContact N-O 3.33Å; C256-S261 PolarHBondContact O-N 2.74Å; L259-S261 PolarHBondContact O-N 2.91Å; L259-S261 PolarHBondContact O-OG 2.87Å; S261-L278 CarbonylContact C-O 3.38Å; S261-L278 VanDerWaalsContact CA-O 3.28Å; S261-L278 WeakPolarHBondContact CA-O 3.45Å; S261-L278 WeakPolarHBondContact CB-O 3.47Å; S261-P279 WeakPolarHBondContact OG-CA 3.11Å
262	W	98.7	Very high	95.8	Very high	68 Å²	68	37.6 Å²	37.6	26%	0.258	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.5	158.7	-74.5	96.8	0	0	0	109.8	I253 H255 F277 L278 P386 V388	I253-W262 HydrophobicContact CD1-CE3 4.19Å; I253-W262 HydrophobicContact CG1-CE3 3.98Å; I253-W262 HydrophobicContact CG1-CZ3 4.33Å; H255-W262 HydrophobicContact CB-CD2 4.24Å; H255-W262 HydrophobicContact CB-CE3 4.16Å; H255-W262 HydrophobicContact CB-CH2 4.44Å; H255-W262 HydrophobicContact CB-CZ2 4.49Å; H255-W262 HydrophobicContact CB-CZ3 4.27Å; H255-W262 AromaticContact CD2-CD1 3.85Å; H255-W262 AromaticContact CD2-CE2 3.93Å; H255-W262 AromaticContact CD2-NE1 3.78Å; W262-F277 WeakPolarHBondContact O-CA 3.48Å; W262-L278 HydrophobicContact CB-CB 4.16Å; W262-L278 PolarHBondContact N-O 2.9Å; W262-L278 PolarHBondContact O-N 3.31Å; W262-P386 HydrophobicContact CH2-CB 4.3Å; W262-P386 HydrophobicContact CH2-CG 4.45Å; W262-V388 HydrophobicContact CB-CG1 4.27Å; W262-V388 HydrophobicContact CD2-CG1 4.45Å; W262-V388 HydrophobicContact CD2-CG2 4.03Å; W262-V388 HydrophobicContact CE3-CG2 4.08Å; W262-V388 HydrophobicContact CG-CG1 4.19Å; W262-V388 HydrophobicContact CH2-CG2 4.36Å; W262-V388 HydrophobicContact CZ2-CG2 4.33Å; W262-V388 HydrophobicContact CZ3-CG2 4.25Å
263	V	98.8	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.1	177.8	-172.5	0	0	0	0	108	I253 Q254 C256 L259 L265 I275 F276 F277 F299	I253-V263 WeakPolarHBondContact CA-O 3.4Å; Q254-V263 HydrophobicContact CG-CB 4.29Å; Q254-V263 PolarHBondContact N-O 3.27Å; Q254-V263 PolarHBondContact O-N 2.96Å; C256-V263 HydrophobicContact CB-CG2 3.86Å; L259-V263 HydrophobicContact CD1-CG2 4.37Å; V263-L265 HydrophobicContact CG1-CD1 3.97Å; V263-I275 HydrophobicContact CG1-CG2 3.87Å; V263-F276 WeakPolarHBondContact CA-O 3.46Å; V263-F277 HydrophobicContact CG1-CD1 4.13Å; V263-F277 HydrophobicContact CG1-CE1 3.85Å; V263-F277 HydrophobicContact CG2-CD1 3.99Å; V263-F277 HydrophobicContact CG2-CE1 4.25Å; V263-F299 HydrophobicContact CG1-CD2 3.82Å; V263-F299 HydrophobicContact CG1-CE2 4Å; V263-F299 HydrophobicContact CG1-CG 4.09Å; V263-F299 HydrophobicContact CG1-CZ 4.42Å; V263-F299 HydrophobicContact CG2-CE1 4.43Å; V263-F299 HydrophobicContact CG2-CE2 4Å; V263-F299 HydrophobicContact CG2-CZ 3.88Å
264	L	98.7	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.4	-179	166.1	68.9	0	0	0	109.4	F251 I253 M266 I275 F276 L310 F390	F251-L264 HydrophobicContact CB-CD1 3.99Å; F251-L264 HydrophobicContact CD1-CD1 3.95Å; F251-L264 HydrophobicContact CG-CD1 4.27Å; I253-L264 HydrophobicContact CB-CD1 4.24Å; I253-L264 HydrophobicContact CD1-CB 4.42Å; I253-L264 HydrophobicContact CD1-CD1 4.3Å; I253-L264 HydrophobicContact CG1-CB 4.33Å; I253-L264 HydrophobicContact CG1-CD1 4.41Å; L264-M266 HydrophobicContact CD1-CG 3.92Å; L264-M266 HydrophobicContact CD2-CG 4.07Å; L264-M266 HydrophobicContact CD2-SD 3.91Å; L264-M266 HydrophobicContact CG-CG 3.89Å; L264-M266 HydrophobicContact CG-SD 4.39Å; L264-I275 CarbonylContact O-C 3.53Å; L264-I275 WeakPolarHBondContact O-CA 3.34Å; L264-F276 HydrophobicContact CB-CB 4.31Å; L264-F276 HydrophobicContact CD2-CD2 4.07Å; L264-F276 HydrophobicContact CG-CD2 4.32Å; L264-F276 PolarHBondContact N-O 2.95Å; L264-F276 PolarHBondContact O-N 3.25Å; L264-L310 HydrophobicContact CD1-CD2 4.41Å; L264-L310 HydrophobicContact CD2-CD1 3.62Å; L264-L310 HydrophobicContact CD2-CD2 3.65Å; L264-L310 HydrophobicContact CD2-CG 4.3Å; L264-F390 HydrophobicContact CB-CE2 4.4Å; L264-F390 HydrophobicContact CB-CZ 4.07Å; L264-F390 HydrophobicContact CD2-CE2 3.69Å; L264-F390 HydrophobicContact CD2-CZ 4.01Å
265	L	98.4	Very high	95.7	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.068	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	173.8	-69.1	84.1	0	0	0	109.7	N252 V263 T273 A274 I275 F299 L300	N252-L265 HydrophobicContact CB-CB 4.08Å; N252-L265 PolarHBondContact O-N 3.15Å; V263-L265 HydrophobicContact CG1-CD1 3.97Å; L265-T273 HydrophobicContact CB-CG2 4.23Å; L265-T273 HydrophobicContact CD2-CG2 4.35Å; L265-A274 WeakPolarHBondContact CA-O 3.24Å; L265-I275 HydrophobicContact CD1-CG2 4.41Å; L265-I275 HydrophobicContact CD2-CG1 4.36Å; L265-I275 HydrophobicContact CG-CG1 4.21Å; L265-I275 HydrophobicContact CG-CG2 4.24Å; L265-F299 HydrophobicContact CD1-CB 4.26Å; L265-F299 HydrophobicContact CD2-CB 4.41Å; L265-F299 VanDerWaalsContact CD2-O 3.29Å; L265-F299 WeakPolarHBondContact CD2-O 3.38Å; L265-L300 HydrophobicContact CD2-CD2 4.16Å
266	M	96	Very high	95.8	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.044	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.2	176.8	-65.6	-167.3	65.4	0	0	110.3	W218 F222 F251 L264 A274 F276 L310 L312	W218-M266 HydrophobicContact CD2-CE 4.16Å; W218-M266 HydrophobicContact CE3-CB 3.95Å; W218-M266 HydrophobicContact CE3-CE 4.15Å; W218-M266 HydrophobicContact CH2-CB 4.24Å; W218-M266 HydrophobicContact CZ3-CB 3.54Å; F222-M266 HydrophobicContact CE2-CE 3.67Å; F222-M266 HydrophobicContact CE2-SD 4.39Å; F222-M266 HydrophobicContact CZ-CE 3.85Å; F222-M266 HydrophobicContact CZ-SD 4.2Å; F251-M266 HydrophobicContact CE1-CE 4.41Å; L264-M266 HydrophobicContact CD1-CG 3.92Å; L264-M266 HydrophobicContact CD2-CG 4.07Å; L264-M266 HydrophobicContact CD2-SD 3.91Å; L264-M266 HydrophobicContact CG-CG 3.89Å; L264-M266 HydrophobicContact CG-SD 4.39Å; M266-A274 PolarHBondContact N-O 3.46Å; M266-A274 PolarHBondContact O-N 2.95Å; M266-F276 HydrophobicContact CB-CE2 4.43Å; M266-F276 HydrophobicContact SD-CE2 4.47Å; M266-L310 HydrophobicContact SD-CD2 3.82Å; M266-L312 HydrophobicContact SD-CD2 4.5Å
267	K	94.8	Very high	95.8	Very high	86 Å²	86	30.2 Å²	30.2	37%	0.374	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.3	177.9	-65.5	-175	177.8	-173.3	0	110.6	E219	E219-K267 HydrophobicContact CB-CB 4.12Å; E219-K267 WeakPolarHBondContact CB-O 3.36Å; E219-K267 PolarHBondContact N-O 3.36Å; E219-K267 WeakPolarHBondContact OE2-CB 3.31Å; E219-K267 VanDerWaalsContact OE2-CD 3.26Å; E219-K267 WeakPolarHBondContact OE2-CD 3.46Å
268	Y	92.3	Very high	95.8	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.02	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-91.1	157.1	165.3	-70.9	-78.6	0	0	0	110	F214 K217 W218 G270 A272 A274 M398	F214-Y268 HydrophobicContact CE1-CE1 4.05Å; F214-Y268 HydrophobicContact CE1-CE2 4.04Å; F214-Y268 AromaticContact CE1-CZ 3.77Å; F214-Y268 HydrophobicContact CZ-CD1 4.3Å; F214-Y268 HydrophobicContact CZ-CD2 4.07Å; F214-Y268 HydrophobicContact CZ-CE1 4.28Å; F214-Y268 HydrophobicContact CZ-CE2 4.03Å; F214-Y268 HydrophobicContact CZ-CG 4.2Å; K217-Y268 CarbonylContact O-C 3.58Å; K217-Y268 VanDerWaalsContact O-CA 3.24Å; K217-Y268 WeakPolarHBondContact O-CA 3.18Å; K217-Y268 WeakPolarHBondContact O-CB 3.46Å; K217-Y268 WeakPolarHBondContact O-CD1 3.48Å; W218-Y268 HydrophobicContact CD2-CD1 4.13Å; W218-Y268 AromaticContact CD2-CE1 3.77Å; W218-Y268 HydrophobicContact CD2-CE1 3.77Å; W218-Y268 AromaticContact CE2-CE1 3.94Å; W218-Y268 AromaticContact CE3-CD1 3.65Å; W218-Y268 HydrophobicContact CE3-CD1 3.65Å; W218-Y268 HydrophobicContact CE3-CD2 4.43Å; W218-Y268 AromaticContact CE3-CE1 3.48Å; W218-Y268 HydrophobicContact CE3-CE1 3.48Å; W218-Y268 VanDerWaalsContact CE3-CE1 3.48Å; W218-Y268 HydrophobicContact CE3-CE2 4.29Å; W218-Y268 HydrophobicContact CE3-CG 4.16Å; W218-Y268 AromaticContact CE3-CZ 3.84Å; W218-Y268 AromaticContact CH2-CE1 3.64Å; W218-Y268 HydrophobicContact CH2-CE1 3.64Å; W218-Y268 AromaticContact CH2-CE2 3.85Å; W218-Y268 HydrophobicContact CH2-CE2 3.85Å; W218-Y268 AromaticContact CH2-CZ 3.24Å; W218-Y268 WeakPolarHBondContact CH2-OH 3.38Å; W218-Y268 AromaticContact CZ2-CE1 3.9Å; W218-Y268 HydrophobicContact CZ2-CE1 3.9Å; W218-Y268 AromaticContact CZ2-CZ 3.84Å; W218-Y268 WeakPolarHBondContact CZ2-OH 3.27Å; W218-Y268 AromaticContact CZ3-CD1 3.88Å; W218-Y268 HydrophobicContact CZ3-CD1 3.88Å; W218-Y268 AromaticContact CZ3-CD2 3.99Å; W218-Y268 HydrophobicContact CZ3-CD2 3.99Å; W218-Y268 AromaticContact CZ3-CE1 3.41Å; W218-Y268 HydrophobicContact CZ3-CE1 3.41Å; W218-Y268 VanDerWaalsContact CZ3-CE1 3.41Å; W218-Y268 AromaticContact CZ3-CE2 3.53Å; W218-Y268 HydrophobicContact CZ3-CE2 3.53Å; W218-Y268 HydrophobicContact CZ3-CG 4.17Å; W218-Y268 AromaticContact CZ3-CZ 3.23Å; Y268-G270 PolarHBondContact O-N 3.49Å; Y268-A272 HydrophobicContact CD2-CB 4.17Å; Y268-A272 PolarHBondContact N-O 2.57Å; Y268-A274 HydrophobicContact CE2-CB 3.84Å; Y268-M398 HydrophobicContact CD2-CE 4.02Å; Y268-M398 HydrophobicContact CE2-CE 3.39Å; Y268-M398 HydrophobicContact CE2-SD 4.41Å
269	L	88.6	Confident	95.9	Very high	61 Å²	61	16.3 Å²	16.3	32%	0.319	9%	0.088	S	C	.	.	S	Bend	trans	-61.5	130.8	160.5	-67.6	178.4	0	0	0	109	Q133 K217 E219	Q133-L269 HydrophobicContact CB-CB 4.49Å; K217-L269 HydrophobicContact CB-CB 4.28Å; K217-L269 HydrophobicContact CB-CD1 4.01Å; K217-L269 HydrophobicContact CB-CG 4.38Å; K217-L269 HydrophobicContact CD-CD1 4.31Å; K217-L269 PolarHBondContact O-N 3.37Å; E219-L269 HydrophobicContact CB-CD2 4.42Å; E219-L269 HydrophobicContact CG-CD2 4.29Å
270	G	86.2	Confident	95.9	Very high	34 Å²	34	18.8 Å²	18.8	35%	0.351	10%	0.101	S	C	.	.	S	Bend	trans	97.5	-151.5	-165.2	0	0	0	0	0	111.2	Y268	Y268-G270 PolarHBondContact O-N 3.49Å
271	N	87.1	Confident	95.8	Very high	19 Å²	19	25 Å²	25	10%	0.102	13%	0.127	C	C	.	.	S	Bend	trans	-112.2	46.2	-167.8	56.8	-33	0	0	0	112.4	E400 Q401	N271-E400 WeakPolarHBondContact CB-OE1 3.42Å; N271-E400 VanDerWaalsContact CG-OE1 3.32Å; N271-E400 PolarHBondContact ND2-OE1 2.82Å; N271-E400 CarbonylContact O-C 3.53Å; N271-E400 WeakPolarHBondContact O-CA 3.36Å; N271-E400 WeakPolarHBondContact O-CG 3.38Å; N271-Q401 PolarHBondContact O-N 3.31Å
272	A	92.4	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	177	0	0	0	0	0	113.4	L134 Y268 I399 Q401 L407	L134-A272 HydrophobicContact CD1-CB 3.56Å; L134-A272 HydrophobicContact CD2-CB 4.05Å; L134-A272 HydrophobicContact CG-CB 4.48Å; Y268-A272 HydrophobicContact CD2-CB 4.17Å; Y268-A272 PolarHBondContact N-O 2.57Å; A272-I399 CarbonylContact C-O 3.59Å; A272-I399 WeakPolarHBondContact CA-O 3.45Å; A272-Q401 PolarHBondContact O-NE2 2.68Å; A272-L407 HydrophobicContact CB-CD1 4.2Å
273	T	95.8	Very high	95.6	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.8	174.3	-59.6	0	0	0	0	109.4	L265 I275 L300 M398 I399 Q401	L265-T273 HydrophobicContact CB-CG2 4.23Å; L265-T273 HydrophobicContact CD2-CG2 4.35Å; T273-I275 HydrophobicContact CG2-CG1 4.46Å; T273-L300 HydrophobicContact CG2-CD2 4.41Å; T273-M398 WeakPolarHBondContact O-CA 3.05Å; T273-I399 PolarHBondContact N-O 2.86Å; T273-I399 PolarHBondContact O-N 2.82Å; T273-Q401 WeakPolarHBondContact OG1-CG 3.5Å; T273-Q401 PolarHBondContact OG1-NE2 3.11Å
274	A	97.2	Very high	95.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.7	165.4	0	0	0	0	0	109.9	W218 L265 M266 Y268 F276 M398	W218-A274 HydrophobicContact CH2-CB 4Å; W218-A274 HydrophobicContact CZ3-CB 4.06Å; L265-A274 WeakPolarHBondContact CA-O 3.24Å; M266-A274 PolarHBondContact N-O 3.46Å; M266-A274 PolarHBondContact O-N 2.95Å; Y268-A274 HydrophobicContact CE2-CB 3.84Å; A274-F276 HydrophobicContact CB-CD2 4.19Å; A274-F276 HydrophobicContact CB-CE2 3.46Å; A274-F276 VanDerWaalsContact CB-CE2 3.46Å; A274-F276 HydrophobicContact CB-CZ 3.81Å; A274-M398 HydrophobicContact CB-CG 4.36Å
275	I	98.6	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.6	171.9	-45.9	178.5	0	0	0	106.9	V263 L264 L265 T273 F277 I296 L300 F396 L397 I399	V263-I275 HydrophobicContact CG1-CG2 3.87Å; L264-I275 CarbonylContact O-C 3.53Å; L264-I275 WeakPolarHBondContact O-CA 3.34Å; L265-I275 HydrophobicContact CD1-CG2 4.41Å; L265-I275 HydrophobicContact CD2-CG1 4.36Å; L265-I275 HydrophobicContact CG-CG1 4.21Å; L265-I275 HydrophobicContact CG-CG2 4.24Å; T273-I275 HydrophobicContact CG2-CG1 4.46Å; I275-F277 HydrophobicContact CB-CE2 4.1Å; I275-F277 HydrophobicContact CB-CZ 4.09Å; I275-F277 HydrophobicContact CG2-CE1 3.84Å; I275-F277 HydrophobicContact CG2-CE2 3.71Å; I275-F277 HydrophobicContact CG2-CZ 3.3Å; I275-I296 HydrophobicContact CD1-CG2 3.76Å; I275-L300 HydrophobicContact CD1-CD2 3.99Å; I275-L300 HydrophobicContact CD1-CG 4.22Å; I275-F396 CarbonylContact O-C 3.55Å; I275-F396 WeakPolarHBondContact O-CA 3.5Å; I275-F396 WeakPolarHBondContact O-CB 3.42Å; I275-L397 PolarHBondContact N-O 3.42Å; I275-L397 PolarHBondContact O-N 3.04Å; I275-I399 HydrophobicContact CD1-CG1 3.97Å
276	F	98.8	Very high	95.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.3	178	-59.3	-90.4	0	0	0	110.1	W218 V263 L264 M266 A274 L312 I364 F390 F394 F396	W218-F276 AromaticContact CH2-CE2 3.95Å; W218-F276 HydrophobicContact CH2-CE2 3.95Å; W218-F276 AromaticContact CH2-CZ 3.91Å; W218-F276 HydrophobicContact CH2-CZ 3.91Å; W218-F276 HydrophobicContact CZ2-CZ 4.45Å; V263-F276 WeakPolarHBondContact CA-O 3.46Å; L264-F276 HydrophobicContact CB-CB 4.31Å; L264-F276 HydrophobicContact CD2-CD2 4.07Å; L264-F276 HydrophobicContact CG-CD2 4.32Å; L264-F276 PolarHBondContact N-O 2.95Å; L264-F276 PolarHBondContact O-N 3.25Å; M266-F276 HydrophobicContact CB-CE2 4.43Å; M266-F276 HydrophobicContact SD-CE2 4.47Å; A274-F276 HydrophobicContact CB-CD2 4.19Å; A274-F276 HydrophobicContact CB-CE2 3.46Å; A274-F276 VanDerWaalsContact CB-CE2 3.46Å; A274-F276 HydrophobicContact CB-CZ 3.81Å; F276-L312 HydrophobicContact CD1-CD1 4.15Å; F276-L312 HydrophobicContact CE1-CD1 4.12Å; F276-L312 HydrophobicContact CE1-CD2 4.41Å; F276-L312 HydrophobicContact CE2-CD2 4.31Å; F276-L312 HydrophobicContact CZ-CD1 4.45Å; F276-L312 HydrophobicContact CZ-CD2 4.01Å; F276-I364 HydrophobicContact CE1-CD1 4.1Å; F276-I364 HydrophobicContact CZ-CD1 4.14Å; F276-F390 HydrophobicContact CB-CD1 4.37Å; F276-F390 HydrophobicContact CB-CE1 3.42Å; F276-F390 VanDerWaalsContact CB-CE1 3.42Å; F276-F390 HydrophobicContact CB-CZ 3.54Å; F276-F390 HydrophobicContact CG-CE1 4.37Å; F276-F390 HydrophobicContact CG-CZ 4.48Å; F276-F394 HydrophobicContact CD1-CD2 4.39Å; F276-F394 AromaticContact CD1-CE2 3.93Å; F276-F394 HydrophobicContact CD1-CE2 3.93Å; F276-F394 HydrophobicContact CE1-CE2 4.36Å; F276-F396 HydrophobicContact CD1-CB 3.67Å; F276-F396 HydrophobicContact CD1-CG 4.49Å; F276-F396 HydrophobicContact CE1-CB 4.06Å; F276-F396 HydrophobicContact CE1-CG 4.47Å; F276-F396 HydrophobicContact CG-CB 4.4Å
277	F	98.8	Very high	95.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	108.6	-179.2	-55	-85.6	0	0	0	109.3	L259 W262 V263 I275 P279 L287 L291 I296 F299 F394 V395 L397	L259-F277 HydrophobicContact CD1-CD1 4.09Å; L259-F277 HydrophobicContact CD1-CE1 4.11Å; W262-F277 WeakPolarHBondContact O-CA 3.48Å; V263-F277 HydrophobicContact CG1-CD1 4.13Å; V263-F277 HydrophobicContact CG1-CE1 3.85Å; V263-F277 HydrophobicContact CG2-CD1 3.99Å; V263-F277 HydrophobicContact CG2-CE1 4.25Å; I275-F277 HydrophobicContact CB-CE2 4.1Å; I275-F277 HydrophobicContact CB-CZ 4.09Å; I275-F277 HydrophobicContact CG2-CE1 3.84Å; I275-F277 HydrophobicContact CG2-CE2 3.71Å; I275-F277 HydrophobicContact CG2-CZ 3.3Å; F277-P279 WeakPolarHBondContact O-CD 3.2Å; F277-L287 HydrophobicContact CB-CD1 3.9Å; F277-L287 HydrophobicContact CB-CD2 3.59Å; F277-L287 HydrophobicContact CB-CG 4.35Å; F277-L287 HydrophobicContact CD1-CD1 4.06Å; F277-L287 HydrophobicContact CG-CD1 4.12Å; F277-L291 HydrophobicContact CD1-CD2 4.36Å; F277-L291 HydrophobicContact CE1-CD2 3.97Å; F277-L291 HydrophobicContact CE2-CD2 4.38Å; F277-L291 HydrophobicContact CZ-CD2 3.97Å; F277-I296 HydrophobicContact CE1-CD1 4.26Å; F277-I296 HydrophobicContact CE2-CD1 4.36Å; F277-I296 HydrophobicContact CZ-CD1 3.5Å; F277-F299 HydrophobicContact CE1-CD2 4.15Å; F277-F299 AromaticContact CE1-CE2 3.91Å; F277-F299 HydrophobicContact CE1-CE2 3.91Å; F277-F394 WeakPolarHBondContact O-CB 3.27Å; F277-V395 HydrophobicContact CB-CB 4.33Å; F277-V395 HydrophobicContact CD2-CB 4.41Å; F277-V395 HydrophobicContact CD2-CG1 4.4Å; F277-V395 PolarHBondContact N-O 3.36Å; F277-V395 PolarHBondContact O-N 3.26Å; F277-V395 VanDerWaalsContact O-N 3.09Å; F277-L397 HydrophobicContact CE2-CB 4.24Å
278	L	98.8	Very high	95.5	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.8	175.1	176.7	67.5	0	0	0	108.7	S261 W262 V388 K389 F390 K392 F394	S261-L278 CarbonylContact C-O 3.38Å; S261-L278 VanDerWaalsContact CA-O 3.28Å; S261-L278 WeakPolarHBondContact CA-O 3.45Å; S261-L278 WeakPolarHBondContact CB-O 3.47Å; W262-L278 HydrophobicContact CB-CB 4.16Å; W262-L278 PolarHBondContact N-O 2.9Å; W262-L278 PolarHBondContact O-N 3.31Å; L278-V388 HydrophobicContact CD2-CG1 3.94Å; L278-K389 WeakPolarHBondContact CD2-O 3.13Å; L278-F390 HydrophobicContact CB-CD1 3.98Å; L278-F390 HydrophobicContact CB-CE1 3.58Å; L278-F390 HydrophobicContact CB-CZ 3.97Å; L278-F390 HydrophobicContact CD1-CD1 4.32Å; L278-K392 HydrophobicContact CD1-CD 4.31Å; L278-K392 HydrophobicContact CD1-CG 3.7Å; L278-F394 HydrophobicContact CD1-CB 4.4Å
279	P	98.4	Very high	95.7	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.032	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	149.8	-178.2	28.3	-34.8	0	0	0	111.8	S261 F277 K283 L284 L287 K392 P393	S261-P279 WeakPolarHBondContact OG-CA 3.11Å; F277-P279 WeakPolarHBondContact O-CD 3.2Å; P279-K283 HydrophobicContact CB-CB 4.3Å; P279-L284 HydrophobicContact CG-CB 4.13Å; P279-L284 HydrophobicContact CG-CD1 4.03Å; P279-L287 HydrophobicContact CB-CB 4.49Å; P279-L287 HydrophobicContact CB-CD2 4.1Å; P279-L287 HydrophobicContact CG-CD2 4.31Å; P279-K392 WeakPolarHBondContact O-CE 3.31Å; P279-K392 PolarHBondContact O-NZ 3.44Å; P279-P393 WeakPolarHBondContact CD-O 3.48Å
280	D	98.4	Very high	96.1	Very high	52 Å²	52	38.9 Å²	38.9	28%	0.278	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-60.8	166.9	164.5	-63.6	-23.5	0	0	0	109.9	H255 S260 G282 K283	H255-D280 IonicContact CD2-OD1 3.8Å; H255-D280 IonicContact CE1-OD1 3.93Å; H255-D280 IonicContact CE1-OD2 3.37Å; H255-D280 PolarHBondContact CE1-OD2 3.31Å; H255-D280 IonicContact NE2-OD1 2.91Å; H255-D280 PolarHBondContact NE2-OD1 2.78Å; H255-D280 IonicContact NE2-OD2 3.12Å; H255-D280 PolarHBondContact NE2-OD2 2.79Å; H255-D280 VanDerWaalsContact NE2-OD2 3.12Å; S260-D280 VanDerWaalsContact C-OD2 3.25Å; S260-D280 VanDerWaalsContact O-CB 3.32Å; S260-D280 WeakPolarHBondContact O-CB 3.44Å; S260-D280 PolarHBondContact O-N 2.92Å; D280-G282 PolarHBondContact O-N 2.85Å; D280-K283 HydrophobicContact CB-CB 4.25Å; D280-K283 HydrophobicContact CB-CG 3.98Å; D280-K283 WeakPolarHBondContact O-CB 3.04Å; D280-K283 PolarHBondContact O-N 3.15Å
281	E	95.7	Very high	96.6	Very high	155 Å²	155	37.3 Å²	37.3	72%	0.724	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	127.4	-178.8	-169	177.4	178.3	0	0	111.9	K283	E281-K283 PolarHBondContact O-N 2.86Å
282	G	95.1	Very high	97	Very high	81 Å²	81	38.7 Å²	38.7	84%	0.835	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	10	-178.5	0	0	0	0	0	115.5	D280	D280-G282 PolarHBondContact O-N 2.85Å
283	K	98	Very high	97	Very high	89 Å²	89	40.4 Å²	40.4	39%	0.387	22%	0.219	S	C	.	.			trans	-104.1	8.8	-175.2	-64.1	-62	-173.2	178.5	0	115.6	P279 D280 E281 Q285 H286 L287	P279-K283 HydrophobicContact CB-CB 4.3Å; D280-K283 HydrophobicContact CB-CB 4.25Å; D280-K283 HydrophobicContact CB-CG 3.98Å; D280-K283 WeakPolarHBondContact O-CB 3.04Å; D280-K283 PolarHBondContact O-N 3.15Å; E281-K283 PolarHBondContact O-N 2.86Å; K283-Q285 PolarHBondContact O-N 3.14Å; K283-H286 HydrophobicContact CB-CB 4.49Å; K283-H286 HydrophobicContact CD-CB 4.21Å; K283-H286 WeakPolarHBondContact O-CB 3.04Å; K283-H286 PolarHBondContact O-N 3.19Å; K283-L287 PolarHBondContact O-N 2.68Å
284	L	96.8	Very high	97	Very high	42 Å²	42	45.2 Å²	45.2	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-55.9	-51.5	179.2	179.4	63.4	0	0	0	112.3	P279 H286 L287 E288 P393 V395 K411	P279-L284 HydrophobicContact CG-CB 4.13Å; P279-L284 HydrophobicContact CG-CD1 4.03Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.9Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.37Å; L284-E288 HydrophobicContact CD1-CG 4.42Å; L284-E288 WeakPolarHBondContact O-CG 3.35Å; L284-E288 PolarHBondContact O-N 3.47Å; L284-P393 HydrophobicContact CD2-CB 4.07Å; L284-V395 HydrophobicContact CD1-CG2 3.91Å; L284-K411 HydrophobicContact CD1-CD 4.35Å; L284-K411 HydrophobicContact CD2-CD 4.23Å
285	Q	96.5	Very high	96.9	Very high	99 Å²	99	45.8 Å²	45.8	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-36.5	179.2	-170.4	68.8	53.8	0	0	112.4	K283 E288 N289	K283-Q285 PolarHBondContact O-N 3.14Å; Q285-E288 PolarHBondContact O-N 2.88Å; Q285-N289 PolarHBondContact NE2-OD1 3.34Å; Q285-N289 VanDerWaalsContact NE2-OD1 3.09Å; Q285-N289 WeakPolarHBondContact O-CB 3.33Å; Q285-N289 PolarHBondContact O-N 2.77Å; Q285-N289 PolarHBondContact O-ND2 3.35Å; Q285-N289 PolarHBondContact O-OD1 2.98Å
286	H	97.9	Very high	96.8	Very high	60 Å²	60	46 Å²	46	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-46.5	176.7	178.8	79.3	0	0	0	110.9	K258 K283 L284 N289 E290	K258-H286 PolarHBondContact O-NE2 3.41Å; K283-H286 HydrophobicContact CB-CB 4.49Å; K283-H286 HydrophobicContact CD-CB 4.21Å; K283-H286 WeakPolarHBondContact O-CB 3.04Å; K283-H286 PolarHBondContact O-N 3.19Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.9Å; H286-N289 PolarHBondContact O-N 2.76Å; H286-E290 WeakPolarHBondContact O-CB 3.47Å; H286-E290 WeakPolarHBondContact O-CG 3.24Å; H286-E290 PolarHBondContact O-N 3.14Å
287	L	98.1	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-50.8	172.9	164.9	66.7	0	0	0	111.2	L259 F277 P279 K283 L284 N289 E290 L291 V395	L259-L287 HydrophobicContact CB-CD1 4.08Å; L259-L287 HydrophobicContact CD1-CD1 3.98Å; L259-L287 HydrophobicContact CD2-CD1 4.36Å; L259-L287 HydrophobicContact CG-CD1 4.37Å; F277-L287 HydrophobicContact CB-CD1 3.9Å; F277-L287 HydrophobicContact CB-CD2 3.59Å; F277-L287 HydrophobicContact CB-CG 4.35Å; F277-L287 HydrophobicContact CD1-CD1 4.06Å; F277-L287 HydrophobicContact CG-CD1 4.12Å; P279-L287 HydrophobicContact CB-CB 4.49Å; P279-L287 HydrophobicContact CB-CD2 4.1Å; P279-L287 HydrophobicContact CG-CD2 4.31Å; K283-L287 PolarHBondContact O-N 2.68Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.37Å; L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 2.58Å; L287-E290 PolarHBondContact O-N 3.31Å; L287-L291 HydrophobicContact CD1-CD1 4.39Å; L287-L291 HydrophobicContact CD1-CD2 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 WeakPolarHBondContact O-CG 3.5Å; L287-L291 PolarHBondContact O-N 3.13Å; L287-V395 HydrophobicContact CD2-CB 4.25Å; L287-V395 HydrophobicContact CD2-CG2 4.06Å
288	E	97	Very high	96.4	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-35.3	-177.7	-67.8	176.4	138.3	0	0	113.1	Y62 L284 Q285 V395 K411	Y62-E288 HydrophobicContact CE1-CB 4.12Å; Y62-E288 HydrophobicContact CE1-CG 3.73Å; Y62-E288 PolarHBondContact OH-OE1 3.29Å; L284-E288 HydrophobicContact CD1-CG 4.42Å; L284-E288 WeakPolarHBondContact O-CG 3.35Å; L284-E288 PolarHBondContact O-N 3.47Å; Q285-E288 PolarHBondContact O-N 2.88Å; E288-V395 HydrophobicContact CG-CG2 4.3Å; E288-K411 WeakPolarHBondContact OE1-CD 3.34Å; E288-K411 WeakPolarHBondContact OE1-CE 3.39Å; E288-K411 IonicContact OE1-NZ 3.59Å; E288-K411 PolarHBondContact OE1-NZ 2.87Å
289	N	96.1	Very high	96.4	Very high	85 Å²	85	54.8 Å²	54.8	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-76	-37.3	179.2	-67.6	-9	0	0	0	112.4	Q285 H286 L287	Q285-N289 PolarHBondContact NE2-OD1 3.34Å; Q285-N289 VanDerWaalsContact NE2-OD1 3.09Å; Q285-N289 WeakPolarHBondContact O-CB 3.33Å; Q285-N289 PolarHBondContact O-N 2.77Å; Q285-N289 PolarHBondContact O-ND2 3.35Å; Q285-N289 PolarHBondContact O-OD1 2.98Å; H286-N289 PolarHBondContact O-N 2.76Å; L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 2.58Å
290	E	97	Very high	96.2	Very high	69 Å²	69	56.5 Å²	56.5	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-85.5	-11	-173.3	-71.8	-68.8	144.1	0	0	114.4	K258 L259 H286 L287 T292 I295	K258-E290 WeakPolarHBondContact CE-OE2 3.28Å; K258-E290 IonicContact NZ-OE2 3.97Å; L259-E290 HydrophobicContact CD2-CB 3.67Å; H286-E290 WeakPolarHBondContact O-CB 3.47Å; H286-E290 WeakPolarHBondContact O-CG 3.24Å; H286-E290 PolarHBondContact O-N 3.14Å; L287-E290 PolarHBondContact O-N 3.31Å; E290-T292 PolarHBondContact O-N 3.26Å; E290-I295 WeakPolarHBondContact O-CD1 3.3Å
291	L	95.7	Very high	96	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	32%	0.316	C	S	.	.			trans	-62.3	126	177.5	-77.8	172.6	0	0	0	111.1	F59 R63 L259 F277 L287 I296 V395 M409	F59-L291 HydrophobicContact CD1-CB 4.46Å; F59-L291 HydrophobicContact CE1-CB 4.32Å; R63-L291 PolarHBondContact NH2-O 2.83Å; L259-L291 HydrophobicContact CD1-CD2 4.22Å; F277-L291 HydrophobicContact CD1-CD2 4.36Å; F277-L291 HydrophobicContact CE1-CD2 3.97Å; F277-L291 HydrophobicContact CE2-CD2 4.38Å; F277-L291 HydrophobicContact CZ-CD2 3.97Å; L287-L291 HydrophobicContact CD1-CD1 4.39Å; L287-L291 HydrophobicContact CD1-CD2 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 WeakPolarHBondContact O-CG 3.5Å; L287-L291 PolarHBondContact O-N 3.13Å; L291-I296 HydrophobicContact CD2-CD1 4.09Å; L291-V395 HydrophobicContact CD1-CG1 4.32Å; L291-M409 HydrophobicContact CD1-CE 4.16Å
292	T	95.3	Very high	96	Very high	47 Å²	47	55 Å²	55	29%	0.288	29%	0.291	S	S	.	.			trans	-141.1	159.2	175.1	70	0	0	0	0	110.5	E290 D294 I295 I296	E290-T292 PolarHBondContact O-N 3.26Å; T292-D294 VanDerWaalsContact C-N 3.32Å; T292-D294 PolarHBondContact O-N 2.8Å; T292-I295 PolarHBondContact O-N 2.78Å; T292-I295 VanDerWaalsContact O-N 3.16Å; T292-I295 WeakPolarHBondContact OG1-CG1 3.3Å; T292-I296 WeakPolarHBondContact O-CG1 3.3Å; T292-I296 PolarHBondContact O-N 3.45Å
293	H	93.9	Very high	95.9	Very high	36 Å²	36	58.5 Å²	58.5	17%	0.167	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-45.2	179.6	176.3	-106.5	0	0	0	112.1	A55 F59 I295 I296 T297	A55-H293 HydrophobicContact CB-CB 3.92Å; A55-H293 VanDerWaalsContact CB-CD2 3.46Å; A55-H293 WeakPolarHBondContact CB-CD2 3.23Å; F59-H293 HydrophobicContact CE2-CB 4.37Å; H293-I295 VanDerWaalsContact C-N 3.25Å; H293-I295 PolarHBondContact O-N 2.81Å; H293-I296 WeakPolarHBondContact O-CB 3.25Å; H293-I296 PolarHBondContact O-N 2.86Å; H293-T297 PolarHBondContact O-N 3.05Å; H293-T297 PolarHBondContact O-OG1 3.46Å
294	D	94.4	Very high	95.6	Very high	108 Å²	108	59.6 Å²	59.6	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-59.4	-34.2	179.6	-66.3	-14.2	0	0	0	113.8	T292 K298	T292-D294 VanDerWaalsContact C-N 3.32Å; T292-D294 PolarHBondContact O-N 2.8Å; D294-K298 WeakPolarHBondContact O-CG 3.41Å; D294-K298 PolarHBondContact O-N 3.4Å
295	I	95.6	Very high	95.5	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-42.4	177	-70.4	169.6	0	0	0	109.9	K258 L259 E290 T292 H293 K298 F299	K258-I295 HydrophobicContact CD-CD1 3.99Å; L259-I295 HydrophobicContact CD1-CG2 4.04Å; L259-I295 HydrophobicContact CD2-CD1 4.28Å; L259-I295 HydrophobicContact CD2-CG2 4.49Å; L259-I295 HydrophobicContact CG-CG2 4.47Å; E290-I295 WeakPolarHBondContact O-CD1 3.3Å; T292-I295 PolarHBondContact O-N 2.78Å; T292-I295 VanDerWaalsContact O-N 3.16Å; T292-I295 WeakPolarHBondContact OG1-CG1 3.3Å; H293-I295 VanDerWaalsContact C-N 3.25Å; H293-I295 PolarHBondContact O-N 2.81Å; I295-K298 PolarHBondContact O-N 3.41Å; I295-F299 HydrophobicContact CG2-CD2 4.02Å; I295-F299 HydrophobicContact CG2-CE1 4.48Å; I295-F299 HydrophobicContact CG2-CE2 3.28Å; I295-F299 HydrophobicContact CG2-CZ 3.57Å; I295-F299 VanDerWaalsContact O-CD2 3.28Å; I295-F299 WeakPolarHBondContact O-CD2 3.31Å; I295-F299 WeakPolarHBondContact O-CG 3.33Å; I295-F299 PolarHBondContact O-N 2.93Å
296	I	96.5	Very high	95.4	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-45.9	176.2	-59.4	-55.6	0	0	0	110.9	F59 I275 F277 L291 T292 H293 K298 F299 L300 L397 I399	F59-I296 HydrophobicContact CZ-CG1 4.08Å; I275-I296 HydrophobicContact CD1-CG2 3.76Å; F277-I296 HydrophobicContact CE1-CD1 4.26Å; F277-I296 HydrophobicContact CE2-CD1 4.36Å; F277-I296 HydrophobicContact CZ-CD1 3.5Å; L291-I296 HydrophobicContact CD2-CD1 4.09Å; T292-I296 WeakPolarHBondContact O-CG1 3.3Å; T292-I296 PolarHBondContact O-N 3.45Å; H293-I296 WeakPolarHBondContact O-CB 3.25Å; H293-I296 PolarHBondContact O-N 2.86Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 3.09Å; I296-F299 WeakPolarHBondContact O-CB 3.42Å; I296-F299 PolarHBondContact O-N 3.42Å; I296-L300 HydrophobicContact CG2-CD1 3.9Å; I296-L300 HydrophobicContact CG2-CG 4.36Å; I296-L300 WeakPolarHBondContact O-CG 3.44Å; I296-L300 PolarHBondContact O-N 2.99Å; I296-L397 HydrophobicContact CD1-CD2 3.96Å; I296-L397 HydrophobicContact CG1-CD2 4.03Å; I296-L397 HydrophobicContact CG2-CD2 4.12Å; I296-I399 HydrophobicContact CG2-CD1 4.45Å; I296-I399 HydrophobicContact CG2-CG1 4.34Å
297	T	94.2	Very high	95.4	Very high	42 Å²	42	62.7 Å²	62.7	26%	0.258	30%	0.3	S	S	.	.	H	α-helix	trans	-56.9	-46.6	178.4	-58.4	0	0	0	0	111.7	H293 F299 L300 E301	H293-T297 PolarHBondContact O-N 3.05Å; H293-T297 PolarHBondContact O-OG1 3.46Å; T297-F299 VanDerWaalsContact C-N 3.26Å; T297-F299 PolarHBondContact O-N 2.86Å; T297-L300 PolarHBondContact O-N 3.4Å; T297-L300 VanDerWaalsContact O-N 3.08Å; T297-E301 WeakPolarHBondContact O-CG 3.47Å; T297-E301 PolarHBondContact O-N 2.92Å
298	K	95.9	Very high	95.3	Very high	143 Å²	143	62.7 Å²	62.7	62%	0.622	30%	0.3	S	S	*	.	H	α-helix	trans	-59.9	-34.1	176.2	-73.8	172.3	-178.7	174.3	0	113.5	D294 I295 I296 N302	D294-K298 WeakPolarHBondContact O-CG 3.41Å; D294-K298 PolarHBondContact O-N 3.4Å; I295-K298 PolarHBondContact O-N 3.41Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 3.09Å; K298-N302 PolarHBondContact O-N 2.89Å
299	F	97.3	Very high	95.3	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-73.1	-36.8	175.8	-63	-32.1	0	0	0	112.3	C256 L259 V263 L265 F277 I295 I296 T297 E301 N302	C256-F299 HydrophobicContact CB-CE1 4.31Å; C256-F299 HydrophobicContact CB-CZ 3.99Å; L259-F299 HydrophobicContact CD1-CE2 3.65Å; L259-F299 HydrophobicContact CD1-CZ 3.78Å; V263-F299 HydrophobicContact CG1-CD2 3.82Å; V263-F299 HydrophobicContact CG1-CE2 4Å; V263-F299 HydrophobicContact CG1-CG 4.09Å; V263-F299 HydrophobicContact CG1-CZ 4.42Å; V263-F299 HydrophobicContact CG2-CE1 4.43Å; V263-F299 HydrophobicContact CG2-CE2 4Å; V263-F299 HydrophobicContact CG2-CZ 3.88Å; L265-F299 HydrophobicContact CD1-CB 4.26Å; L265-F299 HydrophobicContact CD2-CB 4.41Å; L265-F299 VanDerWaalsContact CD2-O 3.29Å; L265-F299 WeakPolarHBondContact CD2-O 3.38Å; F277-F299 HydrophobicContact CE1-CD2 4.15Å; F277-F299 AromaticContact CE1-CE2 3.91Å; F277-F299 HydrophobicContact CE1-CE2 3.91Å; I295-F299 HydrophobicContact CG2-CD2 4.02Å; I295-F299 HydrophobicContact CG2-CE1 4.48Å; I295-F299 HydrophobicContact CG2-CE2 3.28Å; I295-F299 HydrophobicContact CG2-CZ 3.57Å; I295-F299 VanDerWaalsContact O-CD2 3.28Å; I295-F299 WeakPolarHBondContact O-CD2 3.31Å; I295-F299 WeakPolarHBondContact O-CG 3.33Å; I295-F299 PolarHBondContact O-N 2.93Å; I296-F299 WeakPolarHBondContact O-CB 3.42Å; I296-F299 PolarHBondContact O-N 3.42Å; T297-F299 VanDerWaalsContact C-N 3.26Å; T297-F299 PolarHBondContact O-N 2.86Å; F299-E301 VanDerWaalsContact C-N 3.3Å; F299-E301 PolarHBondContact O-N 2.87Å; F299-N302 PolarHBondContact O-N 2.81Å
300	L	94.9	Very high	95.5	Very high	40 Å²	40	59.7 Å²	59.7	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-28.8	177.3	-70.3	168.6	0	0	0	112.9	L265 T273 I275 I296 T297 I399 K404	L265-L300 HydrophobicContact CD2-CD2 4.16Å; T273-L300 HydrophobicContact CG2-CD2 4.41Å; I275-L300 HydrophobicContact CD1-CD2 3.99Å; I275-L300 HydrophobicContact CD1-CG 4.22Å; I296-L300 HydrophobicContact CG2-CD1 3.9Å; I296-L300 HydrophobicContact CG2-CG 4.36Å; I296-L300 WeakPolarHBondContact O-CG 3.44Å; I296-L300 PolarHBondContact O-N 2.99Å; T297-L300 PolarHBondContact O-N 3.4Å; T297-L300 VanDerWaalsContact O-N 3.08Å; L300-I399 HydrophobicContact CD1-CG1 4.43Å; L300-I399 HydrophobicContact CD1-CG2 3.98Å; L300-K404 HydrophobicContact CD1-CD 4.42Å
301	E	95	Very high	95.5	Very high	139 Å²	139	57 Å²	57	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-76.9	-20	175.8	-70.9	170	173.9	0	0	113.3	T297 F299 E303	T297-E301 WeakPolarHBondContact O-CG 3.47Å; T297-E301 PolarHBondContact O-N 2.92Å; F299-E301 VanDerWaalsContact C-N 3.3Å; F299-E301 PolarHBondContact O-N 2.87Å; E301-E303 PolarHBondContact O-N 3.16Å
302	N	94.3	Very high	95.7	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.193	27%	0.273	C	S	.	.			trans	-77.9	124.2	179.1	-171.8	9.1	0	0	0	110.7	N252 Q254 K298 F299 D304	N252-N302 PolarHBondContact ND2-O 3.49Å; Q254-N302 PolarHBondContact OE1-ND2 3.35Å; K298-N302 PolarHBondContact O-N 2.89Å; F299-N302 PolarHBondContact O-N 2.81Å; N302-D304 VanDerWaalsContact OD1-CB 3.25Å; N302-D304 WeakPolarHBondContact OD1-CB 3.12Å; N302-D304 PolarHBondContact OD1-N 2.97Å
303	E	92.8	Very high	95.8	Very high	155 Å²	155	54.7 Å²	54.7	72%	0.724	26%	0.26	S	S	*	.			trans	-107.7	-1.4	174.7	-59	-158.9	148.7	0	0	113.7	E301 R305	E301-E303 PolarHBondContact O-N 3.16Å; E303-R305 PolarHBondContact O-N 3.41Å
304	D	93.5	Very high	95.8	Very high	112 Å²	112	56.7 Å²	56.7	60%	0.599	27%	0.268	S	S	*	.			trans	-59.8	132.2	-179.5	-73.6	-16.4	0	0	0	111	N302	N302-D304 VanDerWaalsContact OD1-CB 3.25Å; N302-D304 WeakPolarHBondContact OD1-CB 3.12Å; N302-D304 PolarHBondContact OD1-N 2.97Å
305	R	94.6	Very high	95.6	Very high	95 Å²	95	52 Å²	52	36%	0.358	24%	0.243	S	C	.	.			trans	-113.4	141.7	177	-65.6	-176	178.8	-113	3	111.6	R220 M250 F251 E303	R220-R305 VanDerWaalsContact CZ-NH1 3.26Å; R220-R305 VanDerWaalsContact NH1-NH1 3.15Å; M250-R305 HydrophobicContact CB-CB 4.34Å; M250-R305 HydrophobicContact CE-CB 4.13Å; M250-R305 WeakPolarHBondContact CE-O 3.35Å; M250-R305 PolarHBondContact O-NH1 3.15Å; F251-R305 CarbonylContact O-C 3.55Å; F251-R305 VanDerWaalsContact O-CA 3.24Å; F251-R305 WeakPolarHBondContact O-CA 3.34Å; E303-R305 PolarHBondContact O-N 3.41Å
306	R	94.4	Very high	95.4	Very high	158 Å²	158	54.8 Å²	54.8	60%	0.596	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.4	177.3	-66.7	-177.7	165.9	-166	-3.9	110.5	M250 F251 I253	M250-R306 WeakPolarHBondContact CA-O 3.46Å; F251-R306 PolarHBondContact N-O 3.46Å; F251-R306 PolarHBondContact O-N 2.93Å; I253-R306 HydrophobicContact CG2-CB 4.16Å
307	S	96.1	Very high	95.3	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.5	171.5	53.3	0	0	0	0	109.8	G249 M250 P386	G249-S307 VanDerWaalsContact O-CA 3.28Å; G249-S307 WeakPolarHBondContact O-CA 3.31Å; M250-S307 PolarHBondContact SD-N 2.78Å; M250-S307 VanDerWaalsContact SD-N 3.44Å; S307-P386 WeakPolarHBondContact O-CD 3.46Å
308	A	97.3	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.4	172.2	0	0	0	0	0	110.4	L248 G249 F251 I253 P386	L248-A308 WeakPolarHBondContact CD1-O 3.12Å; G249-A308 PolarHBondContact N-O 2.86Å; G249-A308 PolarHBondContact O-N 3.35Å; F251-A308 HydrophobicContact CD2-CB 4.1Å; I253-A308 HydrophobicContact CD1-CB 4.4Å; I253-A308 HydrophobicContact CG2-CB 4.34Å; A308-P386 WeakPolarHBondContact CA-O 2.78Å; A308-P386 HydrophobicContact CB-CG 4.4Å
309	S	97.8	Very high	95.3	Very high	30 Å²	30	48.5 Å²	48.5	21%	0.21	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	99.1	162.5	-170.2	0	0	0	0	107.8	H311 P386 V388	S309-H311 PolarHBondContact OG-NE2 3.23Å; S309-P386 PolarHBondContact N-O 3.39Å; S309-V388 PolarHBondContact O-N 2.85Å
310	L	98.4	Very high	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.4	-176.6	175.9	64.1	0	0	0	110.3	F222 K246 R247 F251 L264 M266 F390	F222-L310 HydrophobicContact CE1-CD2 4.1Å; F222-L310 HydrophobicContact CE1-CG 4.43Å; F222-L310 HydrophobicContact CZ-CD2 3.82Å; K246-L310 CarbonylContact C-O 3.55Å; K246-L310 WeakPolarHBondContact CA-O 3.44Å; R247-L310 PolarHBondContact N-O 3.45Å; R247-L310 PolarHBondContact O-N 2.76Å; F251-L310 HydrophobicContact CD1-CD2 3.92Å; F251-L310 HydrophobicContact CD2-CB 4.48Å; F251-L310 HydrophobicContact CE1-CB 4.11Å; F251-L310 HydrophobicContact CE1-CD2 3.31Å; F251-L310 HydrophobicContact CE1-CG 4.34Å; F251-L310 HydrophobicContact CE2-CB 3.8Å; F251-L310 HydrophobicContact CZ-CB 3.58Å; F251-L310 HydrophobicContact CZ-CD2 3.67Å; F251-L310 HydrophobicContact CZ-CG 4.27Å; L264-L310 HydrophobicContact CD1-CD2 4.41Å; L264-L310 HydrophobicContact CD2-CD1 3.62Å; L264-L310 HydrophobicContact CD2-CD2 3.65Å; L264-L310 HydrophobicContact CD2-CG 4.3Å; M266-L310 HydrophobicContact SD-CD2 3.82Å; L310-F390 HydrophobicContact CD1-CD2 3.86Å; L310-F390 HydrophobicContact CD1-CE2 3.68Å
311	H	98.6	Very high	95.4	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.2	169.3	-60.6	-124.7	0	0	0	108.7	E230 M244 M245 S309 E387 V388 K389 F390	E230-H311 IonicContact OE1-CE1 3.41Å; E230-H311 PolarHBondContact OE1-CE1 3.4Å; E230-H311 IonicContact OE1-ND1 3.73Å; E230-H311 PolarHBondContact OE1-ND1 2.79Å; E230-H311 IonicContact OE2-ND1 3.58Å; E230-H311 PolarHBondContact OE2-ND1 3.15Å; M244-H311 HydrophobicContact CG-CB 3.8Å; M244-H311 HydrophobicContact SD-CB 3.95Å; M245-H311 CarbonylContact O-C 3.54Å; M245-H311 VanDerWaalsContact O-CA 3.31Å; M245-H311 WeakPolarHBondContact O-CA 3.41Å; S309-H311 PolarHBondContact OG-NE2 3.23Å; H311-E387 IonicContact NE2-OE1 2.82Å; H311-V388 PolarHBondContact N-O 2.98Å; H311-K389 HydrophobicContact CB-CB 4.17Å; H311-K389 HydrophobicContact CB-CG 3.96Å; H311-F390 WeakPolarHBondContact O-CD2 3.41Å; H311-F390 PolarHBondContact O-N 3.05Å
312	L	98.4	Very high	95.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	-177.3	-173.4	73.6	0	0	0	109.6	F222 M245 M266 F276 I364 F390	F222-L312 HydrophobicContact CE2-CD2 4.45Å; F222-L312 HydrophobicContact CZ-CB 4.24Å; F222-L312 HydrophobicContact CZ-CD2 4.27Å; M245-L312 WeakPolarHBondContact CB-O 3.49Å; M245-L312 HydrophobicContact CE-CB 4.19Å; M245-L312 HydrophobicContact CE-CD2 3.99Å; M245-L312 HydrophobicContact CE-CG 4.17Å; M245-L312 WeakPolarHBondContact CE-O 3.08Å; M245-L312 PolarHBondContact N-O 2.91Å; M245-L312 PolarHBondContact O-N 3.38Å; M266-L312 HydrophobicContact SD-CD2 4.5Å; F276-L312 HydrophobicContact CD1-CD1 4.15Å; F276-L312 HydrophobicContact CE1-CD1 4.12Å; F276-L312 HydrophobicContact CE1-CD2 4.41Å; F276-L312 HydrophobicContact CE2-CD2 4.31Å; F276-L312 HydrophobicContact CZ-CD1 4.45Å; F276-L312 HydrophobicContact CZ-CD2 4.01Å; L312-I364 HydrophobicContact CD2-CG2 4.45Å; L312-F390 HydrophobicContact CD1-CB 3.88Å; L312-F390 HydrophobicContact CD1-CD1 4.22Å; L312-F390 HydrophobicContact CD1-CD2 3.8Å; L312-F390 HydrophobicContact CD1-CE2 4.43Å; L312-F390 HydrophobicContact CD1-CG 3.68Å
313	P	97.4	Very high	95.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.3	-178.4	26.5	-32.7	0	0	0	110.4	V242 M244 L315 F390 F394 P415	V242-P313 HydrophobicContact CG2-CB 4.2Å; M244-P313 HydrophobicContact CE-CB 4.23Å; M244-P313 HydrophobicContact SD-CB 4.21Å; P313-L315 HydrophobicContact CB-CD2 4.43Å; P313-L315 HydrophobicContact CB-CG 4.35Å; P313-L315 HydrophobicContact CG-CD1 4.14Å; P313-L315 HydrophobicContact CG-CD2 4.4Å; P313-L315 HydrophobicContact CG-CG 4.24Å; P313-F390 WeakPolarHBondContact CD-O 3.41Å; P313-F394 HydrophobicContact CG-CE1 3.84Å; P313-F394 HydrophobicContact CG-CZ 4.1Å; P313-P415 HydrophobicContact CB-CG 4.34Å; P313-P415 HydrophobicContact CG-CG 4.46Å
314	K	95.1	Very high	95.9	Very high	79 Å²	79	42.4 Å²	42.4	34%	0.343	21%	0.212	S	C	.	.			trans	-70.1	133.5	164.8	-177.5	173.2	-171.6	149.5	0	108.4	P243 M245 I364 D365 E366	P243-K314 HydrophobicContact CB-CB 4.22Å; P243-K314 HydrophobicContact CG-CB 4.04Å; P243-K314 PolarHBondContact O-N 2.93Å; M245-K314 HydrophobicContact CG-CB 4.21Å; M245-K314 HydrophobicContact SD-CB 4.35Å; K314-I364 WeakPolarHBondContact CG-O 3.13Å; K314-D365 HydrophobicContact CD-CB 4.41Å; K314-D365 HydrophobicContact CG-CB 4.33Å; K314-E366 IonicContact NZ-OE1 2.76Å; K314-E366 IonicContact NZ-OE2 2.68Å; K314-E366 PolarHBondContact NZ-OE2 3.08Å
315	L	90.1	Very high	96	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.8	-168.6	-68.3	164.5	0	0	0	111.7	P313 T363 I364 F394 V412 P415	P313-L315 HydrophobicContact CB-CD2 4.43Å; P313-L315 HydrophobicContact CB-CG 4.35Å; P313-L315 HydrophobicContact CG-CD1 4.14Å; P313-L315 HydrophobicContact CG-CD2 4.4Å; P313-L315 HydrophobicContact CG-CG 4.24Å; L315-T363 CarbonylContact O-C 3.33Å; L315-T363 WeakPolarHBondContact O-CA 3.37Å; L315-I364 HydrophobicContact CB-CB 4.28Å; L315-I364 HydrophobicContact CD1-CD1 4.31Å; L315-I364 PolarHBondContact N-O 2.81Å; L315-I364 PolarHBondContact O-N 3.27Å; L315-F394 HydrophobicContact CD1-CZ 3.81Å; L315-V412 HydrophobicContact CD1-CG2 3.96Å; L315-V412 HydrophobicContact CD2-CG1 4.01Å; L315-V412 HydrophobicContact CD2-CG2 4.46Å; L315-P415 HydrophobicContact CD2-CB 3.52Å; L315-P415 HydrophobicContact CD2-CG 4.05Å
316	S	91.6	Very high	96.1	Very high	71 Å²	71	36.2 Å²	36.2	50%	0.497	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	106.3	160.2	-170.3	0	0	0	0	106.5	L362	S316-L362 WeakPolarHBondContact CA-O 3.42Å
317	I	92.8	Very high	96.3	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.7	-174.1	-173.4	169.2	0	0	0	109.2	N73 F75 L362 V412	N73-I317 HydrophobicContact CB-CD1 3.85Å; N73-I317 HydrophobicContact CB-CG1 4.42Å; F75-I317 HydrophobicContact CB-CD1 3.78Å; F75-I317 HydrophobicContact CB-CG1 3.81Å; F75-I317 HydrophobicContact CB-CG2 4.42Å; F75-I317 HydrophobicContact CD1-CG2 4.15Å; F75-I317 HydrophobicContact CD2-CG2 4.22Å; F75-I317 HydrophobicContact CG-CD1 4.42Å; F75-I317 HydrophobicContact CG-CG1 4.28Å; F75-I317 HydrophobicContact CG-CG2 3.99Å; I317-L362 HydrophobicContact CG2-CB 3.86Å; I317-L362 HydrophobicContact CG2-CD2 4.02Å; I317-L362 HydrophobicContact CG2-CG 4.17Å; I317-L362 PolarHBondContact N-O 2.99Å; I317-L362 PolarHBondContact O-N 2.78Å; I317-V412 HydrophobicContact CD1-CG2 4.26Å
318	T	95.2	Very high	96.4	Very high	48 Å²	48	29.1 Å²	29.1	29%	0.294	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.3	173.6	76.8	0	0	0	0	109.5	A360 V361 K418	T318-A360 VanDerWaalsContact CA-O 3.31Å; T318-A360 WeakPolarHBondContact CA-O 3.28Å; T318-V361 HydrophobicContact CG2-CB 4.45Å; T318-V361 HydrophobicContact CG2-CG1 4.2Å; T318-V361 HydrophobicContact CG2-CG2 3.87Å; T318-K418 PolarHBondContact OG1-OXT 3.28Å; T318-K418 VanDerWaalsContact OG1-OXT 3.05Å
319	G	95.8	Very high	96.4	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132	167.7	0	0	0	0	0	109.2	F75 K359 A360	F75-G319 VanDerWaalsContact O-CA 3.28Å; F75-G319 WeakPolarHBondContact O-CA 3.21Å; G319-K359 VanDerWaalsContact O-CA 3.29Å; G319-K359 WeakPolarHBondContact O-CA 3.31Å; G319-A360 PolarHBondContact N-O 3.46Å; G319-A360 PolarHBondContact O-N 2.75Å
320	T	97.1	Very high	96.4	Very high	70 Å²	70	35.6 Å²	35.6	43%	0.429	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.4	178.4	-53.5	0	0	0	0	108	L196 V357 H358 K359	L196-T320 HydrophobicContact CD1-CG2 4.32Å; T320-V357 HydrophobicContact CG2-CG1 4.13Å; T320-H358 CarbonylContact C-O 3.45Å; T320-H358 WeakPolarHBondContact CA-O 3.4Å; T320-K359 HydrophobicContact CG2-CD 4.42Å; T320-K359 WeakPolarHBondContact OG1-CD 3.47Å
321	Y	97.3	Very high	96.3	Very high	37 Å²	37	37.4 Å²	37.4	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.1	-174.8	-58.7	-80.6	0	0	0	111.2	L65 F75 F76 L323 V326 V357 H358	L65-Y321 HydrophobicContact CD1-CD1 4.24Å; L65-Y321 HydrophobicContact CD1-CE1 3.73Å; L65-Y321 HydrophobicContact CD1-CE2 4.37Å; L65-Y321 HydrophobicContact CD2-CD1 3.64Å; L65-Y321 HydrophobicContact CD2-CE1 3.53Å; L65-Y321 HydrophobicContact CG-CE1 4.21Å; F75-Y321 PolarHBondContact N-OH 2.82Å; F75-Y321 VanDerWaalsContact N-OH 3.11Å; F75-Y321 WeakPolarHBondContact O-CE2 3.47Å; F76-Y321 HydrophobicContact CB-CD2 4.21Å; F76-Y321 HydrophobicContact CB-CE2 3.8Å; Y321-L323 PolarHBondContact O-N 2.69Å; Y321-V326 HydrophobicContact CD1-CG2 4.48Å; Y321-V357 WeakPolarHBondContact O-CA 3.39Å; Y321-H358 PolarHBondContact N-O 3.19Å; Y321-H358 PolarHBondContact O-N 2.96Å
322	D	97.4	Very high	96.3	Very high	58 Å²	58	36.9 Å²	36.9	31%	0.31	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	104.8	163.8	-168	-39.4	0	0	0	108.4	K324 S325 V326 K355	D322-K324 PolarHBondContact O-N 2.91Å; D322-K324 VanDerWaalsContact OD1-CB 3.3Å; D322-K324 WeakPolarHBondContact OD1-CB 3.4Å; D322-K324 PolarHBondContact OD1-N 2.87Å; D322-S325 PolarHBondContact O-N 3.16Å; D322-S325 VanDerWaalsContact O-N 3.17Å; D322-V326 WeakPolarHBondContact O-CG2 3.34Å; D322-V326 PolarHBondContact O-N 3.41Å; D322-V326 VanDerWaalsContact O-N 3.09Å; D322-K355 IonicContact OD2-NZ 2.72Å; D322-K355 PolarHBondContact OD2-NZ 2.9Å
323	L	98	Very high	96.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-26.3	-175	-64.4	-179.8	0	0	0	112.1	I81 F85 Y321 S325 V326 L327 A356 H358	I81-L323 HydrophobicContact CD1-CD2 3.96Å; I81-L323 HydrophobicContact CG1-CD2 4.17Å; I81-L323 HydrophobicContact CG2-CD1 4.41Å; I81-L323 HydrophobicContact CG2-CD2 4.17Å; F85-L323 HydrophobicContact CE2-CB 4.36Å; F85-L323 HydrophobicContact CE2-CD1 3.62Å; F85-L323 HydrophobicContact CZ-CB 4.33Å; F85-L323 HydrophobicContact CZ-CD1 4.34Å; Y321-L323 PolarHBondContact O-N 2.69Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 3.23Å; L323-V326 PolarHBondContact O-N 3.5Å; L323-L327 HydrophobicContact CB-CD1 3.95Å; L323-L327 HydrophobicContact CB-CG 4.24Å; L323-L327 HydrophobicContact CD2-CD1 4.45Å; L323-L327 HydrophobicContact CD2-CG 4.45Å; L323-L327 WeakPolarHBondContact O-CB 3.49Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 2.95Å; L323-A356 HydrophobicContact CB-CB 3.81Å; L323-A356 HydrophobicContact CD1-CB 4.45Å; L323-A356 PolarHBondContact N-O 2.93Å; L323-H358 HydrophobicContact CD1-CB 3.93Å; L323-H358 HydrophobicContact CD2-CB 3.67Å; L323-H358 HydrophobicContact CG-CB 3.87Å
324	K	97.3	Very high	96.4	Very high	87 Å²	87	43.1 Å²	43.1	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-43.9	173.4	175.7	176.9	179.6	174.6	0	110.6	D322 G328 F336	D322-K324 PolarHBondContact O-N 2.91Å; D322-K324 VanDerWaalsContact OD1-CB 3.3Å; D322-K324 WeakPolarHBondContact OD1-CB 3.4Å; D322-K324 PolarHBondContact OD1-N 2.87Å; K324-G328 PolarHBondContact O-N 3.28Å; K324-F336 HydrophobicContact CB-CD1 3.7Å; K324-F336 HydrophobicContact CB-CE1 3.73Å; K324-F336 HydrophobicContact CB-CG 4.13Å; K324-F336 HydrophobicContact CB-CZ 4.17Å; K324-F336 HydrophobicContact CD-CB 4.11Å; K324-F336 HydrophobicContact CD-CD1 4.07Å; K324-F336 HydrophobicContact CD-CG 4.27Å; K324-F336 HydrophobicContact CG-CB 3.91Å; K324-F336 HydrophobicContact CG-CD1 3.7Å; K324-F336 HydrophobicContact CG-CD2 4.26Å; K324-F336 HydrophobicContact CG-CE1 4.23Å; K324-F336 HydrophobicContact CG-CG 3.71Å
325	S	96.3	Very high	96.5	Very high	70 Å²	70	39.4 Å²	39.4	49%	0.49	23%	0.231	S	C	.	.	H	α-helix	trans	-69.9	-44.6	178.8	-175.5	0	0	0	0	112	D322 L323 Q329	D322-S325 PolarHBondContact O-N 3.16Å; D322-S325 VanDerWaalsContact O-N 3.17Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 3.23Å; S325-Q329 WeakPolarHBondContact O-CG 3.33Å
326	V	96.6	Very high	96.9	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-78.7	-46.9	-171.5	-177.7	0	0	0	0	111.4	L61 L65 Y321 D322 L323 G328 Q329	L61-V326 HydrophobicContact CD1-CB 4.5Å; L61-V326 HydrophobicContact CD1-CG1 3.19Å; L65-V326 HydrophobicContact CD2-CG1 3.85Å; L65-V326 HydrophobicContact CD2-CG2 3.95Å; L65-V326 HydrophobicContact CG-CG1 4.37Å; Y321-V326 HydrophobicContact CD1-CG2 4.48Å; D322-V326 WeakPolarHBondContact O-CG2 3.34Å; D322-V326 PolarHBondContact O-N 3.41Å; D322-V326 VanDerWaalsContact O-N 3.09Å; L323-V326 PolarHBondContact O-N 3.5Å; V326-G328 VanDerWaalsContact C-N 3.31Å; V326-G328 PolarHBondContact O-N 2.91Å; V326-Q329 WeakPolarHBondContact O-CB 3.43Å; V326-Q329 PolarHBondContact O-N 2.64Å
327	L	98	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-26.1	180	-58	179.2	0	0	0	112.5	F57 I81 F85 L323 Q329 L330 G331 I332	F57-L327 HydrophobicContact CE2-CD2 4.14Å; F57-L327 HydrophobicContact CZ-CD2 4.06Å; I81-L327 HydrophobicContact CG2-CD1 4.26Å; I81-L327 HydrophobicContact CG2-CD2 4.26Å; F85-L327 HydrophobicContact CD1-CD1 3.96Å; F85-L327 HydrophobicContact CD2-CD1 3.8Å; F85-L327 HydrophobicContact CE1-CD1 3.62Å; F85-L327 HydrophobicContact CE2-CD1 3.48Å; F85-L327 VanDerWaalsContact CE2-CD1 3.48Å; F85-L327 HydrophobicContact CG-CD1 4.05Å; F85-L327 HydrophobicContact CZ-CD1 3.38Å; L323-L327 HydrophobicContact CB-CD1 3.95Å; L323-L327 HydrophobicContact CB-CG 4.24Å; L323-L327 HydrophobicContact CD2-CD1 4.45Å; L323-L327 HydrophobicContact CD2-CG 4.45Å; L323-L327 WeakPolarHBondContact O-CB 3.49Å; L323-L327 VanDerWaalsContact O-CG 3.3Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 2.95Å; L327-Q329 PolarHBondContact O-N 3.05Å; L327-L330 HydrophobicContact CD2-CD1 4.21Å; L327-L330 CarbonylContact O-C 3.55Å; L327-L330 WeakPolarHBondContact O-CA 3.46Å; L327-L330 WeakPolarHBondContact O-CB 3.4Å; L327-L330 PolarHBondContact O-N 3.11Å; L327-G331 PolarHBondContact O-N 3.24Å; L327-I332 HydrophobicContact CB-CB 4.03Å; L327-I332 HydrophobicContact CB-CD1 4.16Å; L327-I332 HydrophobicContact CB-CG1 4.35Å; L327-I332 HydrophobicContact CD1-CD1 4.3Å; L327-I332 PolarHBondContact O-N 3.06Å
328	G	97.7	Very high	97.4	Very high	22 Å²	22	44.8 Å²	44.8	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-31.6	171.3	0	0	0	0	0	113	K324 V326 L330 G331 I332	K324-G328 PolarHBondContact O-N 3.28Å; V326-G328 VanDerWaalsContact C-N 3.31Å; V326-G328 PolarHBondContact O-N 2.91Å; G328-L330 VanDerWaalsContact C-N 3.28Å; G328-G331 PolarHBondContact O-N 3.09Å; G328-I332 WeakPolarHBondContact CA-O 3.41Å
329	Q	97.4	Very high	97.5	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.7	174.1	-58.7	-63.8	-42.9	0	0	112.8	Q64 S325 V326 L327 G331	Q64-Q329 HydrophobicContact CG-CB 4.06Å; Q64-Q329 VanDerWaalsContact NE2-CB 3.28Å; S325-Q329 WeakPolarHBondContact O-CG 3.33Å; V326-Q329 WeakPolarHBondContact O-CB 3.43Å; V326-Q329 PolarHBondContact O-N 2.64Å; L327-Q329 PolarHBondContact O-N 3.05Å; Q329-G331 VanDerWaalsContact C-N 3.34Å
330	L	96.9	Very high	97.6	Very high	39 Å²	39	45.9 Å²	45.9	20%	0.204	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.1	173.7	-58.8	-177.1	0	0	0	112.5	F57 L61 Q64 L327 G328	F57-L330 HydrophobicContact CE2-CD1 4.01Å; L61-L330 HydrophobicContact CB-CD1 4.14Å; L61-L330 HydrophobicContact CD1-CD1 4.1Å; Q64-L330 HydrophobicContact CB-CD2 4.25Å; Q64-L330 HydrophobicContact CG-CD2 4.49Å; L327-L330 HydrophobicContact CD2-CD1 4.21Å; L327-L330 CarbonylContact O-C 3.55Å; L327-L330 WeakPolarHBondContact O-CA 3.46Å; L327-L330 WeakPolarHBondContact O-CB 3.4Å; L327-L330 PolarHBondContact O-N 3.11Å; G328-L330 VanDerWaalsContact C-N 3.28Å
331	G	97.6	Very high	97.6	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-6.6	175.9	0	0	0	0	0	115.4	L327 G328 Q329 T333	L327-G331 PolarHBondContact O-N 3.24Å; G328-G331 PolarHBondContact O-N 3.09Å; Q329-G331 VanDerWaalsContact C-N 3.34Å; G331-T333 PolarHBondContact O-N 2.88Å; G331-T333 VanDerWaalsContact O-N 3.11Å
332	I	98.6	Very high	97.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	26%	0.264	C	S	.	.			trans	-82.9	91.4	178.5	-49.5	-175.2	0	0	0	109.1	F85 I100 L104 L327 G328 V335 F336	F85-I332 HydrophobicContact CD1-CG2 4.37Å; F85-I332 HydrophobicContact CE1-CG2 4.37Å; I100-I332 HydrophobicContact CG1-CG2 3.87Å; L104-I332 HydrophobicContact CD2-CD1 4.44Å; L327-I332 HydrophobicContact CB-CB 4.03Å; L327-I332 HydrophobicContact CB-CD1 4.16Å; L327-I332 HydrophobicContact CB-CG1 4.35Å; L327-I332 HydrophobicContact CD1-CD1 4.3Å; L327-I332 PolarHBondContact O-N 3.06Å; G328-I332 WeakPolarHBondContact CA-O 3.41Å; I332-V335 HydrophobicContact CG2-CG1 3.95Å; I332-F336 HydrophobicContact CG2-CE2 4.03Å; I332-F336 WeakPolarHBondContact O-CD2 3.38Å; I332-F336 WeakPolarHBondContact O-CE2 3.35Å
333	T	98.5	Very high	97.7	Very high	66 Å²	66	42.7 Å²	42.7	41%	0.405	26%	0.262	S	S	.	.			trans	-123.2	-41.5	-171.1	65.7	0	0	0	0	114	E99 G331 V335 F336	E99-T333 PolarHBondContact OE2-N 2.76Å; E99-T333 PolarHBondContact OE2-OG1 3.17Å; G331-T333 PolarHBondContact O-N 2.88Å; G331-T333 VanDerWaalsContact O-N 3.11Å; T333-V335 VanDerWaalsContact C-N 3.33Å; T333-V335 PolarHBondContact O-N 2.74Å; T333-F336 PolarHBondContact O-N 2.98Å; T333-F336 VanDerWaalsContact O-N 3.09Å
334	K	98.6	Very high	97.7	Very high	64 Å²	64	43.3 Å²	43.3	28%	0.278	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.8	-42.5	-172.3	-77.5	176	-167	-129.1	0	112.6	D95 T96 E99 F336 S337 A340	D95-K334 HydrophobicContact CB-CD 3.58Å; D95-K334 IonicContact OD2-NZ 3.78Å; D95-K334 PolarHBondContact OD2-NZ 3.15Å; T96-K334 HydrophobicContact CG2-CB 4.36Å; E99-K334 HydrophobicContact CG-CD 4.39Å; E99-K334 WeakPolarHBondContact OE1-CD 3.39Å; E99-K334 WeakPolarHBondContact OE1-CE 3.04Å; E99-K334 VanDerWaalsContact OE1-CG 3.29Å; E99-K334 WeakPolarHBondContact OE1-CG 3.25Å; E99-K334 WeakPolarHBondContact OE2-CB 3.24Å; E99-K334 WeakPolarHBondContact OE2-CG 3.38Å; E99-K334 PolarHBondContact OE2-N 3.15Å; K334-F336 PolarHBondContact O-N 3.05Å; K334-F336 VanDerWaalsContact O-N 3.12Å; K334-S337 WeakPolarHBondContact O-CA 3.31Å; K334-S337 WeakPolarHBondContact O-CB 3.36Å; K334-S337 PolarHBondContact O-N 3.16Å; K334-S337 PolarHBondContact O-OG 3.12Å; K334-A340 WeakPolarHBondContact O-CA 3.43Å; K334-A340 VanDerWaalsContact O-CB 3.29Å; K334-A340 WeakPolarHBondContact O-CB 3.18Å
335	V	98.7	Very high	97.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25.5	-179.1	73.3	0	0	0	0	113.4	L88 T92 T96 I100 I332 T333 L342 L353	L88-V335 HydrophobicContact CD2-CG2 3.92Å; T92-V335 HydrophobicContact CG2-CG2 4.35Å; T96-V335 HydrophobicContact CG2-CB 3.78Å; T96-V335 HydrophobicContact CG2-CG2 4.16Å; I100-V335 HydrophobicContact CD1-CB 4.12Å; I100-V335 HydrophobicContact CD1-CG1 4.4Å; I100-V335 HydrophobicContact CD1-CG2 4.1Å; I100-V335 HydrophobicContact CG1-CG1 4.43Å; I332-V335 HydrophobicContact CG2-CG1 3.95Å; T333-V335 VanDerWaalsContact C-N 3.33Å; T333-V335 PolarHBondContact O-N 2.74Å; V335-L342 HydrophobicContact CG2-CD1 4.29Å; V335-L342 HydrophobicContact CG2-CD2 4.28Å; V335-L342 HydrophobicContact CG2-CG 4.44Å; V335-L353 HydrophobicContact CG2-CB 4.22Å; V335-L353 PolarHBondContact O-N 3.45Å
336	F	98.4	Very high	97.8	Very high	13 Å²	13	36 Å²	36	6%	0.057	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-92.5	-0.8	177.7	-58.1	-72.8	0	0	0	113.6	F85 K324 I332 T333 K334 L353 A356	F85-F336 HydrophobicContact CE1-CE2 4.26Å; F85-F336 AromaticContact CE1-CZ 3.67Å; F85-F336 HydrophobicContact CE1-CZ 3.67Å; F85-F336 HydrophobicContact CZ-CE1 4.41Å; F85-F336 AromaticContact CZ-CZ 3.74Å; F85-F336 HydrophobicContact CZ-CZ 3.74Å; K324-F336 HydrophobicContact CB-CD1 3.7Å; K324-F336 HydrophobicContact CB-CE1 3.73Å; K324-F336 HydrophobicContact CB-CG 4.13Å; K324-F336 HydrophobicContact CB-CZ 4.17Å; K324-F336 HydrophobicContact CD-CB 4.11Å; K324-F336 HydrophobicContact CD-CD1 4.07Å; K324-F336 HydrophobicContact CD-CG 4.27Å; K324-F336 HydrophobicContact CG-CB 3.91Å; K324-F336 HydrophobicContact CG-CD1 3.7Å; K324-F336 HydrophobicContact CG-CD2 4.26Å; K324-F336 HydrophobicContact CG-CE1 4.23Å; K324-F336 HydrophobicContact CG-CG 3.71Å; I332-F336 HydrophobicContact CG2-CE2 4.03Å; I332-F336 WeakPolarHBondContact O-CD2 3.38Å; I332-F336 WeakPolarHBondContact O-CE2 3.35Å; T333-F336 PolarHBondContact O-N 2.98Å; T333-F336 VanDerWaalsContact O-N 3.09Å; K334-F336 PolarHBondContact O-N 3.05Å; K334-F336 VanDerWaalsContact O-N 3.12Å; F336-L353 HydrophobicContact CD1-CB 4.07Å; F336-L353 HydrophobicContact CD1-CD2 4.22Å; F336-L353 HydrophobicContact CD1-CG 4.11Å; F336-L353 WeakPolarHBondContact CD1-O 3.46Å; F336-L353 HydrophobicContact CE1-CB 4.3Å; F336-L353 HydrophobicContact CE1-CD2 3.59Å; F336-L353 HydrophobicContact CE1-CG 3.9Å; F336-L353 HydrophobicContact CZ-CD2 4.27Å; F336-A356 HydrophobicContact CE1-CB 3.79Å; F336-A356 HydrophobicContact CZ-CB 4.33Å
337	S	97.6	Very high	97.8	Very high	46 Å²	46	42.7 Å²	42.7	32%	0.322	26%	0.259	S	S	.	.	S	Bend	trans	-105.5	165.9	-174.3	84.4	0	0	0	0	111.8	K334 G339 A340 K352	K334-S337 WeakPolarHBondContact O-CA 3.31Å; K334-S337 WeakPolarHBondContact O-CB 3.36Å; K334-S337 PolarHBondContact O-N 3.16Å; K334-S337 PolarHBondContact O-OG 3.12Å; S337-G339 PolarHBondContact O-N 2.7Å; S337-G339 PolarHBondContact OG-N 3.16Å; S337-A340 WeakPolarHBondContact O-CB 3.21Å; S337-A340 PolarHBondContact O-N 3.45Å; S337-K352 WeakPolarHBondContact O-CB 3.42Å
338	N	96.8	Very high	97.4	Very high	138 Å²	138	49.2 Å²	49.2	74%	0.738	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.6	175.4	-63.3	-21.1	0	0	0	113.3	K352	N338-K352 WeakPolarHBondContact OD1-CD 3.47Å; N338-K352 PolarHBondContact OD1-NZ 3.38Å
339	G	96.2	Very high	97.2	Very high	61 Å²	61	50 Å²	50	63%	0.629	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	12.9	176.7	0	0	0	0	0	113.8	S337 D341	S337-G339 PolarHBondContact O-N 2.7Å; S337-G339 PolarHBondContact OG-N 3.16Å; G339-D341 PolarHBondContact O-N 3.33Å
340	A	98.2	Very high	97.1	Very high	15 Å²	15	49.9 Å²	49.9	12%	0.124	30%	0.304	C	S	.	.			trans	-61	129.6	177.8	0	0	0	0	0	111	K334 S337 L342 K352	K334-A340 WeakPolarHBondContact O-CA 3.43Å; K334-A340 VanDerWaalsContact O-CB 3.29Å; K334-A340 WeakPolarHBondContact O-CB 3.18Å; S337-A340 WeakPolarHBondContact O-CB 3.21Å; S337-A340 PolarHBondContact O-N 3.45Å; A340-L342 HydrophobicContact CB-CD1 4.16Å; A340-L342 HydrophobicContact CB-CG 4.42Å; A340-L342 PolarHBondContact O-N 3.33Å; A340-K352 HydrophobicContact CB-CB 4.42Å
341	D	98.4	Very high	97.1	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	30%	0.296	S	S	.	.			trans	-90.4	90.9	167.1	-167.9	-21.5	0	0	0	109	T92 K93 T96 G339 S343	T92-D341 WeakPolarHBondContact CA-O 3.41Å; T92-D341 WeakPolarHBondContact CB-O 3.28Å; K93-D341 PolarHBondContact N-O 3.41Å; T96-D341 PolarHBondContact OG1-N 2.76Å; G339-D341 PolarHBondContact O-N 3.33Å; D341-S343 WeakPolarHBondContact OD1-CB 3.49Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 VanDerWaalsContact OD1-N 3.11Å; D341-S343 PolarHBondContact OD1-OG 3.24Å
342	L	98.5	Very high	97.2	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	29%	0.285	C	S	.	.			trans	-106.4	30.2	172.5	-78.9	161.4	0	0	0	111	L88 G91 T92 F206 V335 A340 G344 V345 T346 L351	L88-L342 HydrophobicContact CD1-CD2 4.16Å; G91-L342 CarbonylContact O-C 3.55Å; G91-L342 WeakPolarHBondContact O-CA 3.25Å; T92-L342 HydrophobicContact CG2-CD2 3.46Å; T92-L342 VanDerWaalsContact CG2-CD2 3.46Å; T92-L342 HydrophobicContact CG2-CG 4.19Å; F206-L342 HydrophobicContact CD1-CD1 4.29Å; F206-L342 HydrophobicContact CE1-CD1 4.45Å; F206-L342 HydrophobicContact CE1-CD2 4.4Å; V335-L342 HydrophobicContact CG2-CD1 4.29Å; V335-L342 HydrophobicContact CG2-CD2 4.28Å; V335-L342 HydrophobicContact CG2-CG 4.44Å; A340-L342 HydrophobicContact CB-CD1 4.16Å; A340-L342 HydrophobicContact CB-CG 4.42Å; A340-L342 PolarHBondContact O-N 3.33Å; L342-G344 PolarHBondContact O-N 3Å; L342-V345 HydrophobicContact CB-CG2 4.41Å; L342-V345 HydrophobicContact CD2-CG2 3.82Å; L342-V345 WeakPolarHBondContact O-CB 3.32Å; L342-V345 PolarHBondContact O-N 3.4Å; L342-T346 PolarHBondContact O-N 2.96Å; L342-L351 HydrophobicContact CB-CB 4.11Å; L342-L351 HydrophobicContact CB-CD2 4.21Å; L342-L351 HydrophobicContact CB-CG 4.42Å; L342-L351 HydrophobicContact CD1-CB 4.3Å; L342-L351 HydrophobicContact CD1-CD2 4.31Å; L342-L351 HydrophobicContact CD1-CG 4.06Å
343	S	98.3	Very high	97.2	Very high	38 Å²	38	48.4 Å²	48.4	27%	0.266	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.7	-178	58.5	0	0	0	0	113.7	K93 D341 V345 T346	K93-S343 VanDerWaalsContact CD-OG 3.23Å; K93-S343 WeakPolarHBondContact CD-OG 3.2Å; K93-S343 WeakPolarHBondContact CE-OG 3.13Å; D341-S343 WeakPolarHBondContact OD1-CB 3.49Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 VanDerWaalsContact OD1-N 3.11Å; D341-S343 PolarHBondContact OD1-OG 3.24Å; S343-V345 VanDerWaalsContact C-N 3.27Å; S343-T346 WeakPolarHBondContact CA-O 3.34Å
344	G	97.8	Very high	97.1	Very high	14 Å²	14	45.7 Å²	45.7	14%	0.144	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.2	170.5	0	0	0	0	0	113.5	G91 V151 F154 L342	G91-G344 CarbonylContact O-C 3.54Å; G91-G344 VanDerWaalsContact O-CA 3.24Å; G91-G344 WeakPolarHBondContact O-CA 3.4Å; G91-G344 PolarHBondContact O-N 3Å; V151-G344 WeakPolarHBondContact CB-O 3.48Å; F154-G344 VanDerWaalsContact CB-O 3.28Å; F154-G344 WeakPolarHBondContact CB-O 3.49Å; L342-G344 PolarHBondContact O-N 3Å
345	V	98.3	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-45.1	174.5	-177.2	0	0	0	0	111.2	G91 L144 L150 V151 F154 L342 S343 L351	G91-V345 PolarHBondContact O-N 3.09Å; L144-V345 HydrophobicContact CD2-CG1 3.42Å; L144-V345 VanDerWaalsContact CD2-CG1 3.42Å; L150-V345 WeakPolarHBondContact CA-O 3.4Å; L150-V345 HydrophobicContact CD2-CG1 4.23Å; V151-V345 PolarHBondContact N-O 2.82Å; F154-V345 HydrophobicContact CD1-CB 4.35Å; F154-V345 HydrophobicContact CD1-CG1 4.1Å; F154-V345 HydrophobicContact CD1-CG2 4.07Å; F154-V345 HydrophobicContact CD2-CG2 4.26Å; F154-V345 HydrophobicContact CE1-CB 4.4Å; F154-V345 HydrophobicContact CE1-CG1 3.98Å; F154-V345 HydrophobicContact CE1-CG2 3.84Å; F154-V345 HydrophobicContact CE2-CG2 4.04Å; F154-V345 HydrophobicContact CG-CG2 4.27Å; F154-V345 HydrophobicContact CZ-CG2 3.82Å; L342-V345 HydrophobicContact CB-CG2 4.41Å; L342-V345 HydrophobicContact CD2-CG2 3.82Å; L342-V345 WeakPolarHBondContact O-CB 3.32Å; L342-V345 PolarHBondContact O-N 3.4Å; S343-V345 VanDerWaalsContact C-N 3.27Å; V345-L351 HydrophobicContact CB-CD2 3.99Å; V345-L351 HydrophobicContact CG1-CD2 3.68Å
346	T	97.8	Very high	97.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	27%	0.265	C	S	.	.			trans	-149	129.7	176.8	-173.5	0	0	0	0	110.3	L148 K149 L342 S343 A349 L351	L148-T346 HydrophobicContact CD2-CG2 4.43Å; K149-T346 WeakPolarHBondContact O-CB 3.33Å; K149-T346 PolarHBondContact O-OG1 3.21Å; L342-T346 PolarHBondContact O-N 2.96Å; S343-T346 WeakPolarHBondContact CA-O 3.34Å; T346-A349 HydrophobicContact CG2-CB 4.33Å; T346-L351 HydrophobicContact CG2-CB 3.96Å; T346-L351 HydrophobicContact CG2-CD2 3.9Å; T346-L351 HydrophobicContact CG2-CG 4.46Å
347	E	94.9	Very high	97.1	Very high	148 Å²	148	44.6 Å²	44.6	69%	0.692	27%	0.265	S	S	*	.	S	Bend	trans	-82.8	-27.1	-172.2	-65.2	-179.9	177.9	0	0	113.6	V151	V151-E347 HydrophobicContact CG2-CG 3.89Å
348	E	89.4	Confident	97.1	Very high	138 Å²	138	42.4 Å²	42.4	65%	0.645	25%	0.25	S	C	*	.	S	Bend	trans	-103.7	-23.6	-163.9	-63.4	175.4	-156.9	0	0	113.2	K149	K149-E348 WeakPolarHBondContact CD-OE1 3.32Å; K149-E348 IonicContact NZ-OE1 3.49Å; K149-E348 PolarHBondContact NZ-OE1 2.9Å
349	A	93.8	Very high	97.2	Very high	37 Å²	37	37.4 Å²	37.4	31%	0.306	22%	0.221	S	C	.	.	S	Bend	trans	-114.6	141.1	-172	0	0	0	0	0	111.9	L148 T346 L351	L148-A349 HydrophobicContact CD2-CB 3.75Å; T346-A349 HydrophobicContact CG2-CB 4.33Å; A349-L351 PolarHBondContact O-N 3.31Å
350	P	95.5	Very high	97.2	Very high	127 Å²	127	34.5 Å²	34.5	83%	0.825	19%	0.191	S	C	*	.			trans	-64.5	130.8	169.2	28.5	-33.2	0	0	0	109.4
351	L	98.1	Very high	97	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	19%	0.189	C	C	.	.			trans	-134.4	144.4	-178.3	-169.3	65.1	0	0	0	109.9	L144 L148 V205 F206 L342 V345 T346 A349	L144-L351 HydrophobicContact CD2-CD2 4.27Å; L148-L351 HydrophobicContact CD1-CD1 3.63Å; L148-L351 HydrophobicContact CD1-CD2 4.43Å; V205-L351 HydrophobicContact CB-CD1 4.32Å; V205-L351 HydrophobicContact CG2-CD1 3.85Å; F206-L351 HydrophobicContact CB-CD1 4.06Å; F206-L351 HydrophobicContact CD1-CD2 4.09Å; F206-L351 HydrophobicContact CD1-CG 4.29Å; L342-L351 HydrophobicContact CB-CB 4.11Å; L342-L351 HydrophobicContact CB-CD2 4.21Å; L342-L351 HydrophobicContact CB-CG 4.42Å; L342-L351 HydrophobicContact CD1-CB 4.3Å; L342-L351 HydrophobicContact CD1-CD2 4.31Å; L342-L351 HydrophobicContact CD1-CG 4.06Å; V345-L351 HydrophobicContact CB-CD2 3.99Å; V345-L351 HydrophobicContact CG1-CD2 3.68Å; T346-L351 HydrophobicContact CG2-CB 3.96Å; T346-L351 HydrophobicContact CG2-CD2 3.9Å; T346-L351 HydrophobicContact CG2-CG 4.46Å; A349-L351 PolarHBondContact O-N 3.31Å
352	K	98.1	Very high	96.7	Very high	37 Å²	37	31.8 Å²	31.8	16%	0.161	18%	0.175	C	C	.	.			trans	-139.4	149.5	171.7	70.4	-176.2	178	-175.5	0	109.2	D203 F206 S337 N338 A340 S354	D203-K352 IonicContact OD2-NZ 3.86Å; D203-K352 PolarHBondContact OD2-NZ 3.26Å; F206-K352 WeakPolarHBondContact CB-O 3.45Å; S337-K352 WeakPolarHBondContact O-CB 3.42Å; N338-K352 WeakPolarHBondContact OD1-CD 3.47Å; N338-K352 PolarHBondContact OD1-NZ 3.38Å; A340-K352 HydrophobicContact CB-CB 4.42Å; K352-S354 PolarHBondContact O-N 2.93Å; K352-S354 VanDerWaalsContact O-N 3.14Å; K352-S354 PolarHBondContact O-OG 2.98Å
353	L	98.5	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.			trans	-72.9	107	169.2	-175.7	57	0	0	0	108.9	F85 L88 F206 L208 V335 F336 K355 A356	F85-L353 HydrophobicContact CE1-CD2 4.4Å; F85-L353 HydrophobicContact CZ-CD2 4.26Å; L88-L353 HydrophobicContact CD2-CD2 3.64Å; F206-L353 HydrophobicContact CD1-CB 4.35Å; F206-L353 HydrophobicContact CD1-CD1 3.92Å; F206-L353 HydrophobicContact CD2-CD1 4.16Å; F206-L353 HydrophobicContact CE1-CD1 4.1Å; F206-L353 HydrophobicContact CE2-CD1 4.31Å; F206-L353 HydrophobicContact CG-CD1 3.96Å; F206-L353 HydrophobicContact CZ-CD1 4.29Å; L208-L353 HydrophobicContact CB-CD1 3.85Å; L208-L353 HydrophobicContact CB-CD2 4.32Å; V335-L353 HydrophobicContact CG2-CB 4.22Å; V335-L353 PolarHBondContact O-N 3.45Å; F336-L353 HydrophobicContact CD1-CB 4.07Å; F336-L353 HydrophobicContact CD1-CD2 4.22Å; F336-L353 HydrophobicContact CD1-CG 4.11Å; F336-L353 WeakPolarHBondContact CD1-O 3.46Å; F336-L353 HydrophobicContact CE1-CB 4.3Å; F336-L353 HydrophobicContact CE1-CD2 3.59Å; F336-L353 HydrophobicContact CE1-CG 3.9Å; F336-L353 HydrophobicContact CZ-CD2 4.27Å; L353-K355 WeakPolarHBondContact CD1-O 3.47Å; L353-A356 HydrophobicContact CD2-CB 3.97Å; L353-A356 HydrophobicContact CG-CB 4.37Å
354	S	98	Very high	95.9	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.063	17%	0.172	C	C	.	.			trans	-80.7	-42.3	-171.7	-53.1	0	0	0	0	111.3	V205 F206 K352	V205-S354 PolarHBondContact N-OG 2.95Å; F206-S354 WeakPolarHBondContact O-CA 3.28Å; F206-S354 VanDerWaalsContact O-CB 3.29Å; F206-S354 WeakPolarHBondContact O-CB 3.49Å; F206-S354 PolarHBondContact O-N 3.23Å; K352-S354 PolarHBondContact O-N 2.93Å; K352-S354 VanDerWaalsContact O-N 3.14Å; K352-S354 PolarHBondContact O-OG 2.98Å
355	K	97.9	Very high	95.6	Very high	48 Å²	48	32.1 Å²	32.1	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.8	-179.1	-164.5	68.7	174.2	166.6	0	110.4	F206 A207 L208 D322 L353 V357	F206-K355 PolarHBondContact O-N 2.96Å; A207-K355 CarbonylContact C-O 3.51Å; A207-K355 VanDerWaalsContact CA-O 3.31Å; A207-K355 WeakPolarHBondContact CA-O 3.5Å; A207-K355 HydrophobicContact CB-CB 4.11Å; L208-K355 PolarHBondContact N-O 2.91Å; D322-K355 IonicContact OD2-NZ 2.72Å; D322-K355 PolarHBondContact OD2-NZ 2.9Å; L353-K355 WeakPolarHBondContact CD1-O 3.47Å; K355-V357 HydrophobicContact CD-CG2 4.5Å; K355-V357 HydrophobicContact CG-CG2 4.07Å
356	A	98.3	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	119.8	172.9	0	0	0	0	0	109.6	F85 L208 L323 F336 L353	F85-A356 HydrophobicContact CZ-CB 4.21Å; L208-A356 HydrophobicContact CB-CB 4.45Å; L208-A356 VanDerWaalsContact O-CA 3.28Å; L208-A356 WeakPolarHBondContact O-CA 3.41Å; L323-A356 HydrophobicContact CB-CB 3.81Å; L323-A356 HydrophobicContact CD1-CB 4.45Å; L323-A356 PolarHBondContact N-O 2.93Å; F336-A356 HydrophobicContact CE1-CB 3.79Å; F336-A356 HydrophobicContact CZ-CB 4.33Å; L353-A356 HydrophobicContact CD2-CB 3.97Å; L353-A356 HydrophobicContact CG-CB 4.37Å
357	V	98.3	Very high	94.4	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.4	-175.8	-172.7	0	0	0	0	110.3	L196 V197 L208 N210 T320 Y321 K355	L196-V357 HydrophobicContact CD1-CG1 3.71Å; L196-V357 HydrophobicContact CD2-CG1 4.44Å; L196-V357 HydrophobicContact CG-CG1 4.04Å; V197-V357 HydrophobicContact CG2-CG2 4.49Å; L208-V357 PolarHBondContact O-N 3.32Å; N210-V357 PolarHBondContact N-O 2.81Å; T320-V357 HydrophobicContact CG2-CG1 4.13Å; Y321-V357 WeakPolarHBondContact O-CA 3.39Å; K355-V357 HydrophobicContact CD-CG2 4.5Å; K355-V357 HydrophobicContact CG-CG2 4.07Å
358	H	98.3	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.8	168	177	63.1	0	0	0	110.3	S77 I81 N210 T320 Y321 L323	S77-H358 PolarHBondContact N-NE2 3.16Å; I81-H358 HydrophobicContact CD1-CB 4.23Å; I81-H358 HydrophobicContact CG1-CB 4.07Å; N210-H358 CarbonylContact O-C 3.58Å; N210-H358 WeakPolarHBondContact O-CA 3.43Å; N210-H358 PolarHBondContact OD1-CE1 2.89Å; N210-H358 VanDerWaalsContact OD1-CE1 3.28Å; N210-H358 PolarHBondContact OD1-ND1 2.82Å; T320-H358 CarbonylContact C-O 3.45Å; T320-H358 WeakPolarHBondContact CA-O 3.4Å; Y321-H358 PolarHBondContact N-O 3.19Å; Y321-H358 PolarHBondContact O-N 2.96Å; L323-H358 HydrophobicContact CD1-CB 3.93Å; L323-H358 HydrophobicContact CD2-CB 3.67Å; L323-H358 HydrophobicContact CG-CB 3.87Å
359	K	97.8	Very high	90.9	Very high	33 Å²	33	26.7 Å²	26.7	14%	0.143	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.5	165.8	-173.4	164	176.5	178	0	112.3	I193 L196 N210 Y211 I212 G319 T320	I193-K359 HydrophobicContact CD1-CB 4.41Å; I193-K359 HydrophobicContact CD1-CD 4.39Å; I193-K359 HydrophobicContact CD1-CG 4.04Å; I193-K359 HydrophobicContact CG2-CD 3.62Å; I193-K359 HydrophobicContact CG2-CG 4.38Å; L196-K359 HydrophobicContact CD1-CB 3.33Å; L196-K359 HydrophobicContact CD1-CD 3.47Å; L196-K359 VanDerWaalsContact CD1-CD 3.47Å; L196-K359 HydrophobicContact CD1-CG 4.06Å; N210-K359 PolarHBondContact O-N 3.35Å; Y211-K359 WeakPolarHBondContact CA-O 3.38Å; I212-K359 PolarHBondContact N-O 3.24Å; G319-K359 VanDerWaalsContact O-CA 3.29Å; G319-K359 WeakPolarHBondContact O-CA 3.31Å; T320-K359 HydrophobicContact CG2-CD 4.42Å; T320-K359 WeakPolarHBondContact OG1-CD 3.47Å
360	A	96.2	Very high	88.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139	175.2	0	0	0	0	0	110.4	F75 I212 T318 G319 F408	F75-A360 HydrophobicContact CD1-CB 3.68Å; F75-A360 HydrophobicContact CE1-CB 3.47Å; F75-A360 VanDerWaalsContact CE1-CB 3.47Å; F75-A360 HydrophobicContact CZ-CB 4.31Å; I212-A360 HydrophobicContact CG2-CB 3.67Å; I212-A360 CarbonylContact O-C 3.54Å; I212-A360 WeakPolarHBondContact O-CA 3.4Å; T318-A360 VanDerWaalsContact CA-O 3.31Å; T318-A360 WeakPolarHBondContact CA-O 3.28Å; G319-A360 PolarHBondContact N-O 3.46Å; G319-A360 PolarHBondContact O-N 2.75Å; A360-F408 HydrophobicContact CB-CE1 4.39Å
361	V	94.4	Very high	86.1	Confident	12 Å²	12	31.8 Å²	31.8	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.5	175.8	177.6	0	0	0	0	110	I193 I212 F213 F214 T318	I193-V361 HydrophobicContact CD1-CG2 3.82Å; I193-V361 HydrophobicContact CG1-CG2 3.78Å; I212-V361 PolarHBondContact O-N 2.82Å; F213-V361 WeakPolarHBondContact CA-O 3.47Å; F213-V361 HydrophobicContact CD2-CB 3.97Å; F213-V361 HydrophobicContact CD2-CG1 3.81Å; F213-V361 HydrophobicContact CE2-CG1 4.14Å; F214-V361 PolarHBondContact N-O 3.35Å; T318-V361 HydrophobicContact CG2-CB 4.45Å; T318-V361 HydrophobicContact CG2-CG1 4.2Å; T318-V361 HydrophobicContact CG2-CG2 3.87Å
362	L	92	Very high	83.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.8	177.5	165.1	67.8	0	0	0	110.3	F75 F214 S316 I317 I364 F396 M398	F75-L362 HydrophobicContact CD1-CB 4.37Å; F75-L362 HydrophobicContact CD2-CD2 4.41Å; F75-L362 HydrophobicContact CE1-CB 3.5Å; F75-L362 HydrophobicContact CE2-CB 3.88Å; F75-L362 HydrophobicContact CE2-CD2 3.65Å; F75-L362 HydrophobicContact CE2-CG 4.41Å; F75-L362 HydrophobicContact CZ-CB 3.23Å; F75-L362 HydrophobicContact CZ-CD2 3.89Å; F75-L362 HydrophobicContact CZ-CG 4.16Å; F214-L362 HydrophobicContact CD1-CD1 3.43Å; F214-L362 VanDerWaalsContact CD1-CD1 3.43Å; F214-L362 HydrophobicContact CE1-CD1 4.09Å; F214-L362 HydrophobicContact CG-CD1 4.4Å; S316-L362 WeakPolarHBondContact CA-O 3.42Å; I317-L362 HydrophobicContact CG2-CB 3.86Å; I317-L362 HydrophobicContact CG2-CD2 4.02Å; I317-L362 HydrophobicContact CG2-CG 4.17Å; I317-L362 PolarHBondContact N-O 2.99Å; I317-L362 PolarHBondContact O-N 2.78Å; L362-I364 HydrophobicContact CD1-CG1 4.1Å; L362-I364 HydrophobicContact CD2-CD1 4.07Å; L362-I364 HydrophobicContact CD2-CG1 4.25Å; L362-I364 HydrophobicContact CG-CG1 4.16Å; L362-F396 HydrophobicContact CD2-CE2 3.49Å; L362-F396 VanDerWaalsContact CD2-CE2 3.49Å; L362-F396 HydrophobicContact CD2-CZ 3.72Å; L362-M398 HydrophobicContact CD1-SD 4.14Å; L362-M398 HydrophobicContact CD2-SD 4.35Å
363	T	90	Very high	81.5	Confident	33 Å²	33	37.5 Å²	37.5	20%	0.202	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.4	167.1	-56.2	0	0	0	0	109.8	F214 L315	F214-T363 PolarHBondContact O-N 2.75Å; L315-T363 CarbonylContact O-C 3.33Å; L315-T363 WeakPolarHBondContact O-CA 3.37Å
364	I	90.9	Very high	79.6	Confident	4 Å²	4	41 Å²	41	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.8	169.3	-67.1	170.8	0	0	0	107.3	W218 M245 F276 L312 K314 L315 L362	W218-I364 HydrophobicContact CZ2-CG2 3.86Å; M245-I364 HydrophobicContact CE-CG2 3.78Å; F276-I364 HydrophobicContact CE1-CD1 4.1Å; F276-I364 HydrophobicContact CZ-CD1 4.14Å; L312-I364 HydrophobicContact CD2-CG2 4.45Å; K314-I364 WeakPolarHBondContact CG-O 3.13Å; L315-I364 HydrophobicContact CB-CB 4.28Å; L315-I364 HydrophobicContact CD1-CD1 4.31Å; L315-I364 PolarHBondContact N-O 2.81Å; L315-I364 PolarHBondContact O-N 3.27Å; L362-I364 HydrophobicContact CD1-CG1 4.1Å; L362-I364 HydrophobicContact CD2-CD1 4.07Å; L362-I364 HydrophobicContact CD2-CG1 4.25Å; L362-I364 HydrophobicContact CG-CG1 4.16Å
365	D	92.1	Very high	77.9	Confident	28 Å²	28	48.8 Å²	48.8	15%	0.15	30%	0.296	C	S	.	.			trans	-137.2	-173.6	173.2	70.5	36.9	0	0	0	110.3	W218 K314 K367 G368	W218-D365 PolarHBondContact NE1-O 3.07Å; K314-D365 HydrophobicContact CD-CB 4.41Å; K314-D365 HydrophobicContact CG-CB 4.33Å; D365-K367 VanDerWaalsContact C-N 3.34Å; D365-K367 PolarHBondContact O-N 2.99Å; D365-K367 PolarHBondContact OD1-N 2.92Å; D365-G368 WeakPolarHBondContact OD1-CA 3.26Å; D365-G368 PolarHBondContact OD1-N 3.39Å
366	E	91.9	Very high	76.5	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.042	30%	0.304	C	S	.	.	S	Bend	trans	-67.6	-30	-172.4	-62.5	86.2	164.5	0	0	113.7	P221 F222 V224 T227 M245 K314	P221-E366 WeakPolarHBondContact CA-O 3.15Å; P221-E366 VanDerWaalsContact CB-O 3.24Å; P221-E366 WeakPolarHBondContact CB-O 3.27Å; F222-E366 HydrophobicContact CB-CB 3.99Å; F222-E366 HydrophobicContact CB-CG 4.12Å; F222-E366 PolarHBondContact N-O 2.88Å; V224-E366 HydrophobicContact CG2-CB 3.87Å; V224-E366 HydrophobicContact CG2-CG 4.03Å; T227-E366 WeakPolarHBondContact CB-OE1 3.42Å; T227-E366 WeakPolarHBondContact OG1-CG 3.48Å; T227-E366 PolarHBondContact OG1-OE1 2.72Å; M245-E366 HydrophobicContact CG-CG 3.9Å; M245-E366 HydrophobicContact SD-CB 4.32Å; M245-E366 HydrophobicContact SD-CG 3.76Å; M245-E366 PolarHBondContact SD-N 2.8Å; M245-E366 VanDerWaalsContact SD-N 3.43Å; K314-E366 IonicContact NZ-OE1 2.76Å; K314-E366 IonicContact NZ-OE2 2.68Å; K314-E366 PolarHBondContact NZ-OE2 3.08Å
367	K	77.9	Confident	75.3	Confident	108 Å²	108	58.1 Å²	58.1	47%	0.47	34%	0.343	S	S	.	.	S	Bend	trans	-138.2	-23.1	-164.5	-67.1	-174.8	176.9	-179.5	0	115.6	P221 V224 D365 T369	P221-K367 HydrophobicContact CB-CG 4.23Å; V224-K367 HydrophobicContact CG2-CD 4.37Å; D365-K367 VanDerWaalsContact C-N 3.34Å; D365-K367 PolarHBondContact O-N 2.99Å; D365-K367 PolarHBondContact OD1-N 2.92Å; K367-T369 PolarHBondContact O-N 3.06Å; K367-T369 VanDerWaalsContact O-N 3.14Å
368	G	63	Low	74.3	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.01	35%	0.352	C	S	.	.	S	Bend	trans	77.1	-34.1	-173.1	0	0	0	0	0	115.1	K215 G216 D365	K215-G368 WeakPolarHBondContact CE-O 3.36Å; K215-G368 PolarHBondContact NZ-O 3.11Å; G216-G368 WeakPolarHBondContact O-CA 3.08Å; D365-G368 WeakPolarHBondContact OD1-CA 3.26Å; D365-G368 PolarHBondContact OD1-N 3.39Å
369	T	49	Very low	73.4	Confident	57 Å²	57	64.6 Å²	64.6	35%	0.35	39%	0.389	S	S	.	.	S	Bend	trans	-166.5	168.9	170	-163.7	0	0	0	0	112.2	K217 K367 A371	K217-T369 HydrophobicContact CD-CG2 3.76Å; K217-T369 HydrophobicContact CG-CG2 4.37Å; K217-T369 VanDerWaalsContact NZ-CG2 3.32Å; K367-T369 PolarHBondContact O-N 3.06Å; K367-T369 VanDerWaalsContact O-N 3.14Å; T369-A371 PolarHBondContact O-N 3.15Å
370	E	44.5	Very low	72.6	Confident	194 Å²	194	66.1 Å²	66.1	91%	0.907	40%	0.398	S	S	*	.	S	Bend	trans	-79.6	10.8	-167.4	-70.7	-174.6	154.2	0	0	117.4
371	A	44	Very low	71.7	Confident	76 Å²	76	69.2 Å²	69.2	63%	0.628	42%	0.418	S	S	*	.	S	Bend	trans	-81.6	130.3	177.2	0	0	0	0	0	110.8	T369 G373	T369-A371 PolarHBondContact O-N 3.15Å; A371-G373 PolarHBondContact O-N 3.23Å
372	A	44.5	Very low	71.1	Confident	107 Å²	107	78 Å²	78	88%	0.884	46%	0.461	S	S	*	.			trans	-52.1	105.1	179.1	0	0	0	0	0	111.2
373	G	54.2	Low	70.9	Confident	60 Å²	60	81.6 Å²	81.6	62%	0.619	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65.6	156	176.7	0	0	0	0	0	111.6	A371	A371-G373 PolarHBondContact O-N 3.23Å
374	A	59.1	Low	70.8	Confident	73 Å²	73	87.9 Å²	87.9	60%	0.603	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.1	141.5	171.9	0	0	0	0	0	110.5	F376	A374-F376 HydrophobicContact CB-CE2 4.32Å; A374-F376 HydrophobicContact CB-CZ 4.18Å; A374-F376 WeakPolarHBondContact O-CD2 3.29Å; A374-F376 WeakPolarHBondContact O-CE2 3.43Å; A374-F376 PolarHBondContact O-N 2.66Å
375	M	61.8	Low	70.9	Confident	172 Å²	172	89.2 Å²	89.2	85%	0.847	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-73.8	119.1	176	-170.8	176.2	-177.3	0	0	109.1	L377	M375-L377 HydrophobicContact CE-CD2 4.47Å
376	F	67.4	Low	71	Confident	88 Å²	88	90.6 Å²	90.6	39%	0.386	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-100	128.5	176.8	-62.2	-81.3	0	0	0	110.1	E219 R220 A374	E219-F376 WeakPolarHBondContact O-CE2 3.41Å; E219-F376 WeakPolarHBondContact O-CZ 3.45Å; R220-F376 HydrophobicContact CG-CD1 4.5Å; R220-F376 HydrophobicContact CG-CG 4.47Å; A374-F376 HydrophobicContact CB-CE2 4.32Å; A374-F376 HydrophobicContact CB-CZ 4.18Å; A374-F376 WeakPolarHBondContact O-CD2 3.29Å; A374-F376 WeakPolarHBondContact O-CE2 3.43Å; A374-F376 PolarHBondContact O-N 2.66Å
377	L	73.1	Confident	71.3	Confident	157 Å²	157	95.7 Å²	95.7	82%	0.822	56%	0.56	S	S	*	*			trans	-105.6	125.9	170.3	-70.2	170.7	0	0	0	108.8	M375	M375-L377 HydrophobicContact CE-CD2 4.47Å
378	E	78.6	Confident	72.2	Confident	50 Å²	50	90.7 Å²	90.7	23%	0.234	54%	0.538	C	S	.	.			trans	-118.5	127.7	177.4	-62.4	-176	161.8	0	0	109.4	R220 G249 M250 I380	R220-E378 WeakPolarHBondContact CD-OE1 3.48Å; R220-E378 IonicContact CZ-OE1 3.55Å; R220-E378 IonicContact NE-OE1 3.54Å; R220-E378 IonicContact NH1-OE1 2.66Å; R220-E378 PolarHBondContact NH1-OE1 2.95Å; G249-E378 WeakPolarHBondContact CA-OE2 3.4Å; M250-E378 HydrophobicContact CG-CB 4.29Å; M250-E378 PolarHBondContact N-OE2 2.97Å; E378-I380 HydrophobicContact CB-CG1 4.48Å; E378-I380 PolarHBondContact O-N 3.1Å
379	A	79.6	Confident	73.9	Confident	94 Å²	94	93.2 Å²	93.2	78%	0.777	55%	0.549	S	S	*	.			trans	-79.9	101	174.5	0	0	0	0	0	109.4
380	I	79.6	Confident	76.3	Confident	65 Å²	65	90.5 Å²	90.5	33%	0.333	53%	0.532	S	S	.	.			trans	-91.3	124	-178.8	-54.4	-178.9	0	0	0	109.1	L248 E378	L248-I380 HydrophobicContact CD2-CD1 4.25Å; L248-I380 HydrophobicContact CG-CD1 4Å; E378-I380 HydrophobicContact CB-CG1 4.48Å; E378-I380 PolarHBondContact O-N 3.1Å
381	P	78.7	Confident	78.9	Confident	65 Å²	65	82.8 Å²	82.8	42%	0.422	50%	0.497	S	S	.	.			trans	-59.9	153.3	175.3	-23	33.6	0	0	0	112.7	S383	P381-S383 PolarHBondContact O-N 3.39Å
382	M	82.3	Confident	81.5	Confident	198 Å²	198	82 Å²	82	98%	0.975	48%	0.48	S	S	*	.	S	Bend	trans	-76.3	-3.5	-179.8	-63.1	-138.3	-66.3	0	0	114.8
383	S	86.7	Confident	84	Confident	74 Å²	74	78 Å²	78	52%	0.517	44%	0.444	S	S	.	.	S	Bend	trans	-70.8	147.9	173.1	55.5	0	0	0	0	111	P381 P385	P381-S383 PolarHBondContact O-N 3.39Å; S383-P385 WeakPolarHBondContact O-CD 3.34Å; S383-P385 VanDerWaalsContact O-N 3.13Å
384	I	88.2	Confident	86.1	Confident	166 Å²	166	75.1 Å²	75.1	85%	0.851	42%	0.415	S	S	*	.			trans	-58.8	114.8	175.1	-59.4	174.2	0	0	0	109.4
385	P	92.1	Very high	88	Confident	31 Å²	31	71.6 Å²	71.6	20%	0.201	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-72.3	144.5	178.7	-21.8	38.7	0	0	0	110.7	L248 S383	L248-P385 HydrophobicContact CD1-CB 4Å; L248-P385 HydrophobicContact CD1-CG 3.8Å; S383-P385 WeakPolarHBondContact O-CD 3.34Å; S383-P385 VanDerWaalsContact O-N 3.13Å
386	P	94.9	Very high	89.7	Confident	57 Å²	57	63.5 Å²	63.5	37%	0.37	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-60.2	142.3	171	27.1	-35.6	0	0	0	110.7	W262 S307 A308 S309	W262-P386 HydrophobicContact CH2-CB 4.3Å; W262-P386 HydrophobicContact CH2-CG 4.45Å; S307-P386 WeakPolarHBondContact O-CD 3.46Å; A308-P386 WeakPolarHBondContact CA-O 2.78Å; A308-P386 HydrophobicContact CB-CG 4.4Å; S309-P386 PolarHBondContact N-O 3.39Å
387	E	97.4	Very high	91.2	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.4	172.8	-161.9	177.4	-152.4	0	0	108.8	H311 K389	H311-E387 IonicContact NE2-OE1 2.82Å; E387-K389 VanDerWaalsContact CG-CE 3.49Å; E387-K389 HydrophobicContact CG-CG 4.14Å; E387-K389 WeakPolarHBondContact OE1-CE 3.33Å; E387-K389 IonicContact OE1-NZ 3.65Å; E387-K389 PolarHBondContact OE1-NZ 2.71Å; E387-K389 WeakPolarHBondContact OE2-CE 3.37Å; E387-K389 IonicContact OE2-NZ 3.29Å
388	V	98.5	Very high	92.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.6	179.6	-176.2	0	0	0	0	108.4	I253 W262 L278 S309 H311 F390	I253-V388 HydrophobicContact CD1-CB 4.08Å; I253-V388 HydrophobicContact CD1-CG1 4.08Å; I253-V388 HydrophobicContact CD1-CG2 3.76Å; W262-V388 HydrophobicContact CB-CG1 4.27Å; W262-V388 HydrophobicContact CD2-CG1 4.45Å; W262-V388 HydrophobicContact CD2-CG2 4.03Å; W262-V388 HydrophobicContact CE3-CG2 4.08Å; W262-V388 HydrophobicContact CG-CG1 4.19Å; W262-V388 HydrophobicContact CH2-CG2 4.36Å; W262-V388 HydrophobicContact CZ2-CG2 4.33Å; W262-V388 HydrophobicContact CZ3-CG2 4.25Å; L278-V388 HydrophobicContact CD2-CG1 3.94Å; S309-V388 PolarHBondContact O-N 2.85Å; H311-V388 PolarHBondContact N-O 2.98Å; V388-F390 HydrophobicContact CG1-CE2 4.08Å
389	K	98.6	Very high	93.2	Very high	54 Å²	54	50 Å²	50	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.8	-177.2	-53.7	-163.8	-176.2	-169.1	0	111.9	L278 H311 E387 N391	L278-K389 WeakPolarHBondContact CD2-O 3.13Å; H311-K389 HydrophobicContact CB-CB 4.17Å; H311-K389 HydrophobicContact CB-CG 3.96Å; E387-K389 VanDerWaalsContact CG-CE 3.49Å; E387-K389 HydrophobicContact CG-CG 4.14Å; E387-K389 WeakPolarHBondContact OE1-CE 3.33Å; E387-K389 IonicContact OE1-NZ 3.65Å; E387-K389 PolarHBondContact OE1-NZ 2.71Å; E387-K389 WeakPolarHBondContact OE2-CE 3.37Å; E387-K389 IonicContact OE2-NZ 3.29Å; K389-N391 HydrophobicContact CB-CB 4.1Å; K389-N391 PolarHBondContact O-N 3.24Å; K389-N391 PolarHBondContact O-OD1 2.94Å
390	F	98.6	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.			trans	-80.7	56.8	168.8	-71.6	-95.6	0	0	0	110.4	F232 L264 F276 L278 L310 H311 L312 P313 V388 F394	F232-F390 WeakPolarHBondContact CE2-O 3.33Å; L264-F390 HydrophobicContact CB-CE2 4.4Å; L264-F390 HydrophobicContact CB-CZ 4.07Å; L264-F390 HydrophobicContact CD2-CE2 3.69Å; L264-F390 HydrophobicContact CD2-CZ 4.01Å; F276-F390 HydrophobicContact CB-CD1 4.37Å; F276-F390 HydrophobicContact CB-CE1 3.42Å; F276-F390 VanDerWaalsContact CB-CE1 3.42Å; F276-F390 HydrophobicContact CB-CZ 3.54Å; F276-F390 HydrophobicContact CG-CE1 4.37Å; F276-F390 HydrophobicContact CG-CZ 4.48Å; L278-F390 HydrophobicContact CB-CD1 3.98Å; L278-F390 HydrophobicContact CB-CE1 3.58Å; L278-F390 HydrophobicContact CB-CZ 3.97Å; L278-F390 HydrophobicContact CD1-CD1 4.32Å; L310-F390 HydrophobicContact CD1-CD2 3.86Å; L310-F390 HydrophobicContact CD1-CE2 3.68Å; H311-F390 WeakPolarHBondContact O-CD2 3.41Å; H311-F390 PolarHBondContact O-N 3.05Å; L312-F390 HydrophobicContact CD1-CB 3.88Å; L312-F390 HydrophobicContact CD1-CD1 4.22Å; L312-F390 HydrophobicContact CD1-CD2 3.8Å; L312-F390 HydrophobicContact CD1-CE2 4.43Å; L312-F390 HydrophobicContact CD1-CG 3.68Å; P313-F390 WeakPolarHBondContact CD-O 3.41Å; V388-F390 HydrophobicContact CG1-CE2 4.08Å; F390-F394 HydrophobicContact CB-CD1 4.14Å; F390-F394 HydrophobicContact CB-CE1 4.11Å; F390-F394 HydrophobicContact CD1-CB 3.96Å; F390-F394 HydrophobicContact CD1-CD1 4.02Å; F390-F394 AromaticContact CD1-CD2 3.93Å; F390-F394 HydrophobicContact CD1-CD2 3.93Å; F390-F394 HydrophobicContact CD1-CE1 4.45Å; F390-F394 HydrophobicContact CD1-CE2 4.37Å; F390-F394 AromaticContact CD1-CG 3.73Å; F390-F394 HydrophobicContact CD1-CG 3.73Å; F390-F394 HydrophobicContact CE1-CB 4.44Å; F390-F394 HydrophobicContact CE1-CD2 4.43Å; F390-F394 HydrophobicContact CE1-CG 4.47Å
391	N	98.3	Very high	94.2	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	24%	0.238	C	C	.	.			trans	-108.3	24.4	-174.9	76.7	-29.4	0	0	0	113.2	D231 F232 H233 M244 K389	D231-N391 WeakPolarHBondContact O-CB 3.38Å; F232-N391 CarbonylContact C-O 3.6Å; F232-N391 WeakPolarHBondContact CA-O 2.93Å; H233-N391 PolarHBondContact CD2-O 2.82Å; H233-N391 PolarHBondContact N-O 2.94Å; M244-N391 HydrophobicContact CE-CB 4.06Å; K389-N391 HydrophobicContact CB-CB 4.1Å; K389-N391 PolarHBondContact O-N 3.24Å; K389-N391 PolarHBondContact O-OD1 2.94Å
392	K	98.3	Very high	94.7	Very high	59 Å²	59	46 Å²	46	26%	0.257	24%	0.241	S	C	.	.	S	Bend	trans	-154.9	167.3	176.8	63.5	179.3	-178.8	174.8	0	109.1	F232 H233 L278 P279 F394	F232-K392 VanDerWaalsContact CZ-O 3.31Å; F232-K392 WeakPolarHBondContact CZ-O 3.43Å; H233-K392 HydrophobicContact CB-CB 4.41Å; H233-K392 WeakPolarHBondContact O-CA 3.47Å; L278-K392 HydrophobicContact CD1-CD 4.31Å; L278-K392 HydrophobicContact CD1-CG 3.7Å; P279-K392 WeakPolarHBondContact O-CE 3.31Å; P279-K392 PolarHBondContact O-NZ 3.44Å; K392-F394 WeakPolarHBondContact O-CD1 3.07Å; K392-F394 PolarHBondContact O-N 3.19Å
393	P	98.3	Very high	95	Very high	22 Å²	22	36.5 Å²	36.5	14%	0.143	20%	0.195	C	C	.	.			trans	-48.7	129.7	-176.9	-32.4	33.8	0	0	0	114.1	H233 V234 P279 L284 V412 V413	H233-P393 WeakPolarHBondContact O-CD 3.45Å; V234-P393 WeakPolarHBondContact O-CG 3.34Å; P279-P393 WeakPolarHBondContact CD-O 3.48Å; L284-P393 HydrophobicContact CD2-CB 4.07Å; P393-V412 WeakPolarHBondContact CA-O 3.25Å; P393-V413 HydrophobicContact CG-CG1 4.28Å
394	F	98.6	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.9	-176.2	69.6	-96.9	0	0	0	111.4	F232 F276 F277 L278 P313 L315 F390 K392 F396 K411 V412	F232-F394 HydrophobicContact CE2-CD1 4.25Å; F232-F394 HydrophobicContact CE2-CE1 4.11Å; F232-F394 HydrophobicContact CZ-CD1 4.43Å; F276-F394 HydrophobicContact CD1-CD2 4.39Å; F276-F394 AromaticContact CD1-CE2 3.93Å; F276-F394 HydrophobicContact CD1-CE2 3.93Å; F276-F394 HydrophobicContact CE1-CE2 4.36Å; F277-F394 WeakPolarHBondContact O-CB 3.27Å; L278-F394 HydrophobicContact CD1-CB 4.4Å; P313-F394 HydrophobicContact CG-CE1 3.84Å; P313-F394 HydrophobicContact CG-CZ 4.1Å; L315-F394 HydrophobicContact CD1-CZ 3.81Å; F390-F394 HydrophobicContact CB-CD1 4.14Å; F390-F394 HydrophobicContact CB-CE1 4.11Å; F390-F394 HydrophobicContact CD1-CB 3.96Å; F390-F394 HydrophobicContact CD1-CD1 4.02Å; F390-F394 AromaticContact CD1-CD2 3.93Å; F390-F394 HydrophobicContact CD1-CD2 3.93Å; F390-F394 HydrophobicContact CD1-CE1 4.45Å; F390-F394 HydrophobicContact CD1-CE2 4.37Å; F390-F394 AromaticContact CD1-CG 3.73Å; F390-F394 HydrophobicContact CD1-CG 3.73Å; F390-F394 HydrophobicContact CE1-CB 4.44Å; F390-F394 HydrophobicContact CE1-CD2 4.43Å; F390-F394 HydrophobicContact CE1-CG 4.47Å; K392-F394 WeakPolarHBondContact O-CD1 3.07Å; K392-F394 PolarHBondContact O-N 3.19Å; F394-F396 HydrophobicContact CE2-CD1 4.16Å; F394-K411 WeakPolarHBondContact O-CA 3.28Å; F394-V412 HydrophobicContact CD1-CB 4.23Å; F394-V412 HydrophobicContact CE1-CB 3.83Å; F394-V412 HydrophobicContact CE1-CG1 4.14Å; F394-V412 HydrophobicContact CE1-CG2 4.24Å; F394-V412 HydrophobicContact CE2-CB 4.26Å; F394-V412 HydrophobicContact CE2-CG2 3.96Å; F394-V412 HydrophobicContact CZ-CB 3.87Å; F394-V412 HydrophobicContact CZ-CG1 4.41Å; F394-V412 HydrophobicContact CZ-CG2 3.75Å; F394-V412 PolarHBondContact N-O 3.03Å; F394-V412 VanDerWaalsContact N-O 3.13Å; F394-V412 PolarHBondContact O-N 3.48Å
395	V	98.6	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149.5	179	-178.4	0	0	0	0	108.6	Y62 F277 L284 L287 E288 L291 M409 G410 K411	Y62-V395 HydrophobicContact CE2-CG1 4.29Å; Y62-V395 WeakPolarHBondContact OH-CG2 3.39Å; F277-V395 HydrophobicContact CB-CB 4.33Å; F277-V395 HydrophobicContact CD2-CB 4.41Å; F277-V395 HydrophobicContact CD2-CG1 4.4Å; F277-V395 PolarHBondContact N-O 3.36Å; F277-V395 PolarHBondContact O-N 3.26Å; F277-V395 VanDerWaalsContact O-N 3.09Å; L284-V395 HydrophobicContact CD1-CG2 3.91Å; L287-V395 HydrophobicContact CD2-CB 4.25Å; L287-V395 HydrophobicContact CD2-CG2 4.06Å; E288-V395 HydrophobicContact CG-CG2 4.3Å; L291-V395 HydrophobicContact CD1-CG1 4.32Å; V395-M409 HydrophobicContact CG1-CE 4.4Å; V395-G410 CarbonylContact C-O 3.58Å; V395-G410 WeakPolarHBondContact CA-O 3.38Å; V395-G410 WeakPolarHBondContact CG1-O 3.44Å; V395-K411 HydrophobicContact CG2-CB 4.45Å; V395-K411 HydrophobicContact CG2-CG 4.43Å
396	F	98.3	Very high	95.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.4	172.9	69.8	-83.4	0	0	0	112.1	F75 I275 F276 L362 F394 G410 V412	F75-F396 AromaticContact CD2-CE2 3.98Å; F75-F396 HydrophobicContact CD2-CE2 3.98Å; F75-F396 AromaticContact CD2-CZ 3.52Å; F75-F396 HydrophobicContact CD2-CZ 3.52Å; F75-F396 AromaticContact CE2-CE2 3.78Å; F75-F396 HydrophobicContact CE2-CE2 3.78Å; F75-F396 AromaticContact CE2-CZ 3.78Å; F75-F396 HydrophobicContact CE2-CZ 3.78Å; I275-F396 CarbonylContact O-C 3.55Å; I275-F396 WeakPolarHBondContact O-CA 3.5Å; I275-F396 WeakPolarHBondContact O-CB 3.42Å; F276-F396 HydrophobicContact CD1-CB 3.67Å; F276-F396 HydrophobicContact CD1-CG 4.49Å; F276-F396 HydrophobicContact CE1-CB 4.06Å; F276-F396 HydrophobicContact CE1-CG 4.47Å; F276-F396 HydrophobicContact CG-CB 4.4Å; L362-F396 HydrophobicContact CD2-CE2 3.49Å; L362-F396 VanDerWaalsContact CD2-CE2 3.49Å; L362-F396 HydrophobicContact CD2-CZ 3.72Å; F394-F396 HydrophobicContact CE2-CD1 4.16Å; F396-G410 PolarHBondContact N-O 3.2Å; F396-G410 PolarHBondContact O-N 3.5Å; F396-V412 HydrophobicContact CD1-CG2 4.28Å; F396-V412 HydrophobicContact CE1-CG2 3.89Å
397	L	98.1	Very high	95.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.7	179.1	-174.2	70.8	0	0	0	108.3	I275 F277 I296 I399 P406 F408 M409	I275-L397 PolarHBondContact N-O 3.42Å; I275-L397 PolarHBondContact O-N 3.04Å; F277-L397 HydrophobicContact CE2-CB 4.24Å; I296-L397 HydrophobicContact CD1-CD2 3.96Å; I296-L397 HydrophobicContact CG1-CD2 4.03Å; I296-L397 HydrophobicContact CG2-CD2 4.12Å; L397-I399 HydrophobicContact CD1-CD1 4.4Å; L397-I399 HydrophobicContact CD2-CD1 3.53Å; L397-I399 HydrophobicContact CD2-CG1 4.08Å; L397-I399 HydrophobicContact CG-CD1 3.69Å; L397-I399 HydrophobicContact CG-CG1 4.17Å; L397-P406 HydrophobicContact CD1-CB 3.94Å; L397-F408 CarbonylContact C-O 3.6Å; L397-F408 WeakPolarHBondContact CA-O 3.33Å; L397-F408 WeakPolarHBondContact CD1-O 3.34Å; L397-M409 HydrophobicContact CD1-CB 3.76Å; L397-M409 HydrophobicContact CD1-CG 3.83Å; L397-M409 HydrophobicContact CD1-SD 4.15Å
398	M	96.9	Very high	95.9	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	173.2	-68.1	-174.3	62.2	0	0	109.3	F214 Y268 T273 A274 L362 P406 L407 F408	F214-M398 HydrophobicContact CD1-CE 3.74Å; F214-M398 HydrophobicContact CD1-SD 4.28Å; F214-M398 HydrophobicContact CD2-CE 4.34Å; F214-M398 HydrophobicContact CE1-CE 3.21Å; F214-M398 HydrophobicContact CE1-SD 4.18Å; F214-M398 HydrophobicContact CE2-CE 3.85Å; F214-M398 HydrophobicContact CG-CE 4.25Å; F214-M398 HydrophobicContact CZ-CE 3.26Å; Y268-M398 HydrophobicContact CD2-CE 4.02Å; Y268-M398 HydrophobicContact CE2-CE 3.39Å; Y268-M398 HydrophobicContact CE2-SD 4.41Å; T273-M398 WeakPolarHBondContact O-CA 3.05Å; A274-M398 HydrophobicContact CB-CG 4.36Å; L362-M398 HydrophobicContact CD1-SD 4.14Å; L362-M398 HydrophobicContact CD2-SD 4.35Å; M398-P406 CarbonylContact O-C 3.58Å; M398-L407 HydrophobicContact CB-CB 4.29Å; M398-L407 PolarHBondContact O-N 2.88Å; M398-F408 HydrophobicContact CB-CB 4.07Å; M398-F408 HydrophobicContact CB-CD2 4.06Å; M398-F408 HydrophobicContact CE-CD2 4.22Å; M398-F408 HydrophobicContact CG-CB 4.32Å; M398-F408 HydrophobicContact CG-CD2 4.41Å; M398-F408 PolarHBondContact N-O 3.5Å; M398-F408 PolarHBondContact O-N 3.33Å; M398-F408 HydrophobicContact SD-CB 4.32Å; M398-F408 HydrophobicContact SD-CD2 3.7Å; M398-F408 HydrophobicContact SD-CE2 4.48Å; M398-F408 HydrophobicContact SD-CG 4.35Å
399	I	95.7	Very high	95.9	Very high	5 Å²	5	20 Å²	20	3%	0.026	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.8	-177.1	-60.5	-58.6	0	0	0	109.6	A272 T273 I275 I296 L300 L397 K404 S405 P406	A272-I399 CarbonylContact C-O 3.59Å; A272-I399 WeakPolarHBondContact CA-O 3.45Å; T273-I399 PolarHBondContact N-O 2.86Å; T273-I399 PolarHBondContact O-N 2.82Å; I275-I399 HydrophobicContact CD1-CG1 3.97Å; I296-I399 HydrophobicContact CG2-CD1 4.45Å; I296-I399 HydrophobicContact CG2-CG1 4.34Å; L300-I399 HydrophobicContact CD1-CG1 4.43Å; L300-I399 HydrophobicContact CD1-CG2 3.98Å; L397-I399 HydrophobicContact CD1-CD1 4.4Å; L397-I399 HydrophobicContact CD2-CD1 3.53Å; L397-I399 HydrophobicContact CD2-CG1 4.08Å; L397-I399 HydrophobicContact CG-CD1 3.69Å; L397-I399 HydrophobicContact CG-CG1 4.17Å; I399-K404 HydrophobicContact CG2-CB 4.41Å; I399-S405 WeakPolarHBondContact CA-O 3.32Å; I399-P406 HydrophobicContact CD1-CB 4Å
400	E	92.6	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.6	168.5	-163.1	-75.7	130.6	0	0	109.7	L127 N271 N402 T403 K404 S405 L407	L127-E400 HydrophobicContact CD2-CG 3.86Å; N271-E400 WeakPolarHBondContact CB-OE1 3.42Å; N271-E400 VanDerWaalsContact CG-OE1 3.32Å; N271-E400 PolarHBondContact ND2-OE1 2.82Å; N271-E400 CarbonylContact O-C 3.53Å; N271-E400 WeakPolarHBondContact O-CA 3.36Å; N271-E400 WeakPolarHBondContact O-CG 3.38Å; E400-N402 VanDerWaalsContact CD-N 3.31Å; E400-N402 PolarHBondContact O-N 3.28Å; E400-N402 VanDerWaalsContact OE1-CB 3.28Å; E400-N402 WeakPolarHBondContact OE1-CB 3.44Å; E400-N402 PolarHBondContact OE1-N 3.23Å; E400-N402 PolarHBondContact OE1-ND2 2.84Å; E400-N402 WeakPolarHBondContact OE2-CB 3.29Å; E400-N402 PolarHBondContact OE2-N 3.28Å; E400-N402 VanDerWaalsContact OE2-N 3.11Å; E400-T403 WeakPolarHBondContact OE2-CA 3.49Å; E400-T403 VanDerWaalsContact OE2-CB 3.24Å; E400-T403 WeakPolarHBondContact OE2-CB 3.48Å; E400-T403 VanDerWaalsContact OE2-CG2 3.3Å; E400-T403 WeakPolarHBondContact OE2-CG2 3.01Å; E400-T403 PolarHBondContact OE2-N 3.07Å; E400-T403 PolarHBondContact OE2-OG1 2.81Å; E400-K404 WeakPolarHBondContact O-CA 3.46Å; E400-K404 PolarHBondContact O-N 2.84Å; E400-S405 PolarHBondContact N-O 3.43Å; E400-L407 HydrophobicContact CB-CD1 3.95Å; E400-L407 HydrophobicContact CB-CD2 3.94Å; E400-L407 HydrophobicContact CB-CG 3.87Å; E400-L407 HydrophobicContact CG-CD1 4.45Å; E400-L407 HydrophobicContact CG-CD2 4.49Å
401	Q	89.4	Confident	95.8	Very high	50 Å²	50	17.6 Å²	17.6	23%	0.234	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.4	-166.3	-73	-179.5	3.5	0	0	113.9	N271 A272 T273 K404	N271-Q401 PolarHBondContact O-N 3.31Å; A272-Q401 PolarHBondContact O-NE2 2.68Å; T273-Q401 WeakPolarHBondContact OG1-CG 3.5Å; T273-Q401 PolarHBondContact OG1-NE2 3.11Å; Q401-K404 WeakPolarHBondContact O-CD 3.47Å; Q401-K404 VanDerWaalsContact O-CE 3.27Å; Q401-K404 WeakPolarHBondContact O-CE 3.28Å; Q401-K404 PolarHBondContact O-NZ 3.02Å
402	N	88.3	Confident	95.8	Very high	90 Å²	90	16 Å²	16	48%	0.481	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-47.5	-176.3	-60.5	-29.6	0	0	0	111.5	T126 E400	T126-N402 HydrophobicContact CG2-CB 4.12Å; E400-N402 VanDerWaalsContact CD-N 3.31Å; E400-N402 PolarHBondContact O-N 3.28Å; E400-N402 VanDerWaalsContact OE1-CB 3.28Å; E400-N402 WeakPolarHBondContact OE1-CB 3.44Å; E400-N402 PolarHBondContact OE1-N 3.23Å; E400-N402 PolarHBondContact OE1-ND2 2.84Å; E400-N402 WeakPolarHBondContact OE2-CB 3.29Å; E400-N402 PolarHBondContact OE2-N 3.28Å; E400-N402 VanDerWaalsContact OE2-N 3.11Å
403	T	88.8	Confident	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-16.6	-175.5	63.2	0	0	0	0	113.4	F47 T51 L123 T126 E400 S405	F47-T403 HydrophobicContact CB-CG2 4.42Å; F47-T403 HydrophobicContact CD1-CG2 4.14Å; F47-T403 HydrophobicContact CD2-CG2 3.68Å; F47-T403 HydrophobicContact CE1-CG2 4.27Å; F47-T403 VanDerWaalsContact CE2-CA 3.49Å; F47-T403 HydrophobicContact CE2-CG2 3.89Å; F47-T403 HydrophobicContact CG-CG2 3.84Å; F47-T403 HydrophobicContact CZ-CG2 4.16Å; T51-T403 WeakPolarHBondContact CG2-O 3.21Å; T51-T403 PolarHBondContact OG1-O 2.91Å; L123-T403 HydrophobicContact CD1-CG2 3.8Å; T126-T403 HydrophobicContact CG2-CG2 4.18Å; E400-T403 WeakPolarHBondContact OE2-CA 3.49Å; E400-T403 VanDerWaalsContact OE2-CB 3.24Å; E400-T403 WeakPolarHBondContact OE2-CB 3.48Å; E400-T403 VanDerWaalsContact OE2-CG2 3.3Å; E400-T403 WeakPolarHBondContact OE2-CG2 3.01Å; E400-T403 PolarHBondContact OE2-N 3.07Å; E400-T403 PolarHBondContact OE2-OG1 2.81Å; T403-S405 WeakPolarHBondContact CB-OG 3.33Å; T403-S405 PolarHBondContact O-N 2.99Å; T403-S405 VanDerWaalsContact O-N 3.16Å; T403-S405 WeakPolarHBondContact OG1-CB 3.36Å; T403-S405 PolarHBondContact OG1-N 3.04Å; T403-S405 PolarHBondContact OG1-OG 3.22Å
404	K	92.9	Very high	95.6	Very high	95 Å²	95	14.2 Å²	14.2	41%	0.413	7%	0.07	S	C	.	.			trans	60	14.1	-170.8	-46.8	-56.8	-175.8	-168.2	0	113.5	T51 L300 I399 E400 Q401	T51-K404 HydrophobicContact CG2-CB 4Å; T51-K404 WeakPolarHBondContact CG2-O 3.46Å; L300-K404 HydrophobicContact CD1-CD 4.42Å; I399-K404 HydrophobicContact CG2-CB 4.41Å; E400-K404 WeakPolarHBondContact O-CA 3.46Å; E400-K404 PolarHBondContact O-N 2.84Å; Q401-K404 WeakPolarHBondContact O-CD 3.47Å; Q401-K404 VanDerWaalsContact O-CE 3.27Å; Q401-K404 WeakPolarHBondContact O-CE 3.28Å; Q401-K404 PolarHBondContact O-NZ 3.02Å
405	S	94.1	Very high	95.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.			trans	-74.4	144.2	-178	-55.9	0	0	0	0	112.4	T51 I399 E400 T403 L407	T51-S405 PolarHBondContact OG1-OG 3.23Å; I399-S405 WeakPolarHBondContact CA-O 3.32Å; E400-S405 PolarHBondContact N-O 3.43Å; T403-S405 WeakPolarHBondContact CB-OG 3.33Å; T403-S405 PolarHBondContact O-N 2.99Å; T403-S405 VanDerWaalsContact O-N 3.16Å; T403-S405 WeakPolarHBondContact OG1-CB 3.36Å; T403-S405 PolarHBondContact OG1-N 3.04Å; T403-S405 PolarHBondContact OG1-OG 3.22Å; S405-L407 PolarHBondContact O-N 3.11Å; S405-L407 VanDerWaalsContact O-N 3.15Å
406	P	96.5	Very high	95	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.019	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	97.3	179.5	32.6	-36.1	0	0	0	111.9	L54 A58 P78 V79 L397 M398 I399	L54-P406 HydrophobicContact CB-CG 4.24Å; L54-P406 WeakPolarHBondContact O-CG 3.39Å; A58-P406 HydrophobicContact CB-CB 4.26Å; A58-P406 HydrophobicContact CB-CG 4.03Å; P78-P406 HydrophobicContact CB-CG 4.11Å; P78-P406 WeakPolarHBondContact CD-O 3.39Å; P78-P406 HydrophobicContact CG-CB 4.18Å; P78-P406 HydrophobicContact CG-CG 4.25Å; V79-P406 VanDerWaalsContact CG2-O 3.23Å; V79-P406 WeakPolarHBondContact CG2-O 3.41Å; V79-P406 PolarHBondContact N-O 3.44Å; L397-P406 HydrophobicContact CD1-CB 3.94Å; M398-P406 CarbonylContact O-C 3.58Å; I399-P406 HydrophobicContact CD1-CB 4Å
407	L	96	Very high	94.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-45.7	177.4	-63.8	179.8	0	0	0	112	S77 L127 L134 L136 A272 M398 E400 S405	S77-L407 VanDerWaalsContact CA-O 3.32Å; S77-L407 WeakPolarHBondContact CA-O 3.16Å; S77-L407 WeakPolarHBondContact CB-O 3.07Å; S77-L407 PolarHBondContact OG-O 2.76Å; L127-L407 HydrophobicContact CD1-CD2 4.36Å; L127-L407 HydrophobicContact CD2-CD2 3.59Å; L134-L407 HydrophobicContact CD2-CD1 4.28Å; L136-L407 HydrophobicContact CD2-CD2 4.35Å; A272-L407 HydrophobicContact CB-CD1 4.2Å; M398-L407 HydrophobicContact CB-CB 4.29Å; M398-L407 PolarHBondContact O-N 2.88Å; E400-L407 HydrophobicContact CB-CD1 3.95Å; E400-L407 HydrophobicContact CB-CD2 3.94Å; E400-L407 HydrophobicContact CB-CG 3.87Å; E400-L407 HydrophobicContact CG-CD1 4.45Å; E400-L407 HydrophobicContact CG-CD2 4.49Å; S405-L407 PolarHBondContact O-N 3.11Å; S405-L407 VanDerWaalsContact O-N 3.15Å
408	F	97.8	Very high	93	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.1	-179.6	-59	-82.5	0	0	0	111.1	F75 F76 L136 I212 F214 A360 L397 M398	F75-F408 HydrophobicContact CE1-CD1 4.06Å; F75-F408 HydrophobicContact CE1-CE1 4.33Å; F75-F408 HydrophobicContact CE2-CB 3.65Å; F75-F408 AromaticContact CE2-CD1 3.79Å; F75-F408 HydrophobicContact CE2-CD1 3.79Å; F75-F408 AromaticContact CE2-CG 3.92Å; F75-F408 HydrophobicContact CE2-CG 3.92Å; F75-F408 HydrophobicContact CZ-CB 4.01Å; F75-F408 AromaticContact CZ-CD1 3.24Å; F75-F408 HydrophobicContact CZ-CD1 3.24Å; F75-F408 AromaticContact CZ-CE1 3.79Å; F75-F408 HydrophobicContact CZ-CE1 3.79Å; F75-F408 AromaticContact CZ-CG 3.73Å; F75-F408 HydrophobicContact CZ-CG 3.73Å; F76-F408 WeakPolarHBondContact O-CA 3.46Å; L136-F408 HydrophobicContact CD1-CE2 3.78Å; L136-F408 HydrophobicContact CD1-CZ 3.75Å; I212-F408 HydrophobicContact CB-CE1 4.42Å; I212-F408 HydrophobicContact CD1-CE1 3.85Å; I212-F408 HydrophobicContact CD1-CZ 3.66Å; I212-F408 HydrophobicContact CG1-CE1 3.89Å; I212-F408 HydrophobicContact CG1-CZ 3.7Å; I212-F408 HydrophobicContact CG2-CE1 3.75Å; I212-F408 HydrophobicContact CG2-CZ 4.44Å; F214-F408 HydrophobicContact CB-CE2 3.56Å; F214-F408 HydrophobicContact CB-CZ 3.54Å; F214-F408 HydrophobicContact CD2-CE2 4.11Å; F214-F408 AromaticContact CG-CE2 3.87Å; F214-F408 HydrophobicContact CG-CE2 3.87Å; F214-F408 HydrophobicContact CG-CZ 4.35Å; A360-F408 HydrophobicContact CB-CE1 4.39Å; L397-F408 CarbonylContact C-O 3.6Å; L397-F408 WeakPolarHBondContact CA-O 3.33Å; L397-F408 WeakPolarHBondContact CD1-O 3.34Å; M398-F408 HydrophobicContact CB-CB 4.07Å; M398-F408 HydrophobicContact CB-CD2 4.06Å; M398-F408 HydrophobicContact CE-CD2 4.22Å; M398-F408 HydrophobicContact CG-CB 4.32Å; M398-F408 HydrophobicContact CG-CD2 4.41Å; M398-F408 PolarHBondContact N-O 3.5Å; M398-F408 PolarHBondContact O-N 3.33Å; M398-F408 HydrophobicContact SD-CB 4.32Å; M398-F408 HydrophobicContact SD-CD2 3.7Å; M398-F408 HydrophobicContact SD-CE2 4.48Å; M398-F408 HydrophobicContact SD-CG 4.35Å
409	M	98.5	Very high	92.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.7	169.1	-168.5	172.5	-179.4	0	0	109.4	A58 F59 Y62 F76 P78 L291 V395 L397	A58-M409 HydrophobicContact CB-SD 4.25Å; F59-M409 HydrophobicContact CD1-CE 3.85Å; F59-M409 HydrophobicContact CD1-SD 3.99Å; F59-M409 HydrophobicContact CE1-CE 4.18Å; F59-M409 HydrophobicContact CE1-SD 4.34Å; Y62-M409 HydrophobicContact CD1-CE 3.82Å; Y62-M409 HydrophobicContact CD2-CE 3.59Å; Y62-M409 HydrophobicContact CD2-CG 3.91Å; Y62-M409 HydrophobicContact CD2-SD 3.93Å; Y62-M409 HydrophobicContact CE1-CE 4.36Å; Y62-M409 HydrophobicContact CE2-CE 4.12Å; Y62-M409 HydrophobicContact CG-CE 3.42Å; Y62-M409 VanDerWaalsContact CG-CE 3.42Å; Y62-M409 HydrophobicContact CG-CG 4.46Å; Y62-M409 HydrophobicContact CG-SD 3.87Å; F76-M409 HydrophobicContact CE1-CB 4.17Å; F76-M409 HydrophobicContact CZ-CB 3.99Å; F76-M409 HydrophobicContact CZ-SD 4.48Å; F76-M409 PolarHBondContact N-O 3.22Å; F76-M409 VanDerWaalsContact N-O 3.08Å; F76-M409 PolarHBondContact O-N 3.26Å; P78-M409 HydrophobicContact CG-CB 4.39Å; L291-M409 HydrophobicContact CD1-CE 4.16Å; V395-M409 HydrophobicContact CG1-CE 4.4Å; L397-M409 HydrophobicContact CD1-CB 3.76Å; L397-M409 HydrophobicContact CD1-CG 3.83Å; L397-M409 HydrophobicContact CD1-SD 4.15Å
410	G	97.4	Very high	92.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	169.7	179.7	0	0	0	0	0	115.2	I74 V395 F396	I74-G410 CarbonylContact O-C 3.48Å; I74-G410 WeakPolarHBondContact O-CA 3.28Å; V395-G410 CarbonylContact C-O 3.58Å; V395-G410 WeakPolarHBondContact CA-O 3.38Å; V395-G410 WeakPolarHBondContact CG1-O 3.44Å; F396-G410 PolarHBondContact N-O 3.2Å; F396-G410 PolarHBondContact O-N 3.5Å
411	K	98.1	Very high	92.7	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.4	174.3	174.8	171.4	55.6	-172	0	108.7	Y62 N73 I74 L284 E288 F394 V395 V413	Y62-K411 HydrophobicContact CE2-CB 4.07Å; Y62-K411 WeakPolarHBondContact OH-CB 3.49Å; Y62-K411 WeakPolarHBondContact OH-CD 3.24Å; N73-K411 WeakPolarHBondContact CA-O 3.36Å; I74-K411 HydrophobicContact CB-CB 4.27Å; I74-K411 PolarHBondContact N-O 3.39Å; I74-K411 PolarHBondContact O-N 3.02Å; L284-K411 HydrophobicContact CD1-CD 4.35Å; L284-K411 HydrophobicContact CD2-CD 4.23Å; E288-K411 WeakPolarHBondContact OE1-CD 3.34Å; E288-K411 WeakPolarHBondContact OE1-CE 3.39Å; E288-K411 IonicContact OE1-NZ 3.59Å; E288-K411 PolarHBondContact OE1-NZ 2.87Å; F394-K411 WeakPolarHBondContact O-CA 3.28Å; V395-K411 HydrophobicContact CG2-CB 4.45Å; V395-K411 HydrophobicContact CG2-CG 4.43Å; K411-V413 HydrophobicContact CD-CG2 3.99Å; K411-V413 HydrophobicContact CG-CG2 3.93Å
412	V	98.1	Very high	92.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.4	172	-176.9	0	0	0	0	107.4	F232 L315 I317 P393 F394 F396 P415	F232-V412 HydrophobicContact CZ-CG1 4.49Å; L315-V412 HydrophobicContact CD1-CG2 3.96Å; L315-V412 HydrophobicContact CD2-CG1 4.01Å; L315-V412 HydrophobicContact CD2-CG2 4.46Å; I317-V412 HydrophobicContact CD1-CG2 4.26Å; P393-V412 WeakPolarHBondContact CA-O 3.25Å; F394-V412 HydrophobicContact CD1-CB 4.23Å; F394-V412 HydrophobicContact CE1-CB 3.83Å; F394-V412 HydrophobicContact CE1-CG1 4.14Å; F394-V412 HydrophobicContact CE1-CG2 4.24Å; F394-V412 HydrophobicContact CE2-CB 4.26Å; F394-V412 HydrophobicContact CE2-CG2 3.96Å; F394-V412 HydrophobicContact CZ-CB 3.87Å; F394-V412 HydrophobicContact CZ-CG1 4.41Å; F394-V412 HydrophobicContact CZ-CG2 3.75Å; F394-V412 PolarHBondContact N-O 3.03Å; F394-V412 VanDerWaalsContact N-O 3.13Å; F394-V412 PolarHBondContact O-N 3.48Å; F396-V412 HydrophobicContact CD1-CG2 4.28Å; F396-V412 HydrophobicContact CE1-CG2 3.89Å; V412-P415 HydrophobicContact CG1-CB 4.5Å; V412-P415 HydrophobicContact CG1-CG 3.89Å
413	V	97.2	Very high	93.2	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	16%	0.156	C	C	.	.	S	Bend	trans	-95.9	-35.9	172	-175.8	0	0	0	0	110.2	N73 F232 V234 P393 K411	N73-V413 PolarHBondContact OD1-N 3.24Å; F232-V413 VanDerWaalsContact CE1-O 3.28Å; F232-V413 WeakPolarHBondContact CE1-O 3.47Å; V234-V413 HydrophobicContact CG1-CG1 4.3Å; P393-V413 HydrophobicContact CG-CG1 4.28Å; K411-V413 HydrophobicContact CD-CG2 3.99Å; K411-V413 HydrophobicContact CG-CG2 3.93Å
414	N	95.9	Very high	93.4	Very high	33 Å²	33	34.4 Å²	34.4	18%	0.176	17%	0.166	C	C	.	.			trans	-144.9	113.1	174.7	179.9	-10.4	0	0	0	110.3	N73 V234 T416 Q417	N73-N414 PolarHBondContact ND2-O 3.12Å; N73-N414 PolarHBondContact OD1-N 3Å; N73-N414 PolarHBondContact OD1-O 3.37Å; V234-N414 HydrophobicContact CG2-CB 4.09Å; N414-T416 PolarHBondContact ND2-OG1 2.89Å; N414-T416 PolarHBondContact O-N 3.2Å; N414-T416 VanDerWaalsContact O-N 3.08Å; N414-T416 PolarHBondContact OD1-N 2.91Å; N414-T416 PolarHBondContact OD1-OG1 2.88Å; N414-Q417 HydrophobicContact CB-CB 4.16Å; N414-Q417 WeakPolarHBondContact O-CB 3.16Å; N414-Q417 PolarHBondContact O-N 3.35Å; N414-Q417 VanDerWaalsContact O-N 3.13Å
415	P	93.3	Very high	93.5	Very high	17 Å²	17	30.1 Å²	30.1	11%	0.11	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.6	178.8	-29.9	38.6	0	0	0	115.8	F232 V242 P313 L315 V412	F232-P415 HydrophobicContact CD1-CG 4.21Å; F232-P415 HydrophobicContact CD2-CG 3.49Å; F232-P415 VanDerWaalsContact CD2-CG 3.49Å; F232-P415 HydrophobicContact CE1-CG 4.32Å; F232-P415 HydrophobicContact CE2-CG 3.6Å; F232-P415 HydrophobicContact CG-CG 3.82Å; F232-P415 HydrophobicContact CZ-CG 4.01Å; V242-P415 HydrophobicContact CB-CB 4.33Å; V242-P415 HydrophobicContact CG1-CB 3.73Å; V242-P415 HydrophobicContact CG1-CG 3.92Å; P313-P415 HydrophobicContact CB-CG 4.34Å; P313-P415 HydrophobicContact CG-CG 4.46Å; L315-P415 HydrophobicContact CD2-CB 3.52Å; L315-P415 HydrophobicContact CD2-CG 4.05Å; V412-P415 HydrophobicContact CG1-CB 4.5Å; V412-P415 HydrophobicContact CG1-CG 3.89Å
416	T	90.8	Very high	93.4	Very high	74 Å²	74	32.4 Å²	32.4	45%	0.454	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.5	-178	66.8	0	0	0	0	113.5	V240 V242 N414 K418	V240-T416 HydrophobicContact CG2-CG2 4.44Å; V242-T416 HydrophobicContact CG1-CG2 4.01Å; N414-T416 PolarHBondContact ND2-OG1 2.89Å; N414-T416 PolarHBondContact O-N 3.2Å; N414-T416 VanDerWaalsContact O-N 3.08Å; N414-T416 PolarHBondContact OD1-N 2.91Å; N414-T416 PolarHBondContact OD1-OG1 2.88Å; T416-K418 PolarHBondContact O-N 3.27Å
417	Q	87.6	Confident	93.2	Very high	66 Å²	66	34.8 Å²	34.8	31%	0.308	17%	0.172	S	C	.	.			trans	-77.6	115.6	173.1	-178.2	-176.7	58.9	0	0	109.1	N73 N414	N73-Q417 PolarHBondContact ND2-O 3.44Å; N73-Q417 VanDerWaalsContact ND2-O 3.13Å; N414-Q417 HydrophobicContact CB-CB 4.16Å; N414-Q417 WeakPolarHBondContact O-CB 3.16Å; N414-Q417 PolarHBondContact O-N 3.35Å; N414-Q417 VanDerWaalsContact O-N 3.13Å
418	K	67.7	Low	92.9	Very high	213 Å²	213	37.9 Å²	37.9	93%	0.926	19%	0.187	S	C	*	.			trans	-89.7	0	-175.4	-68.1	-173.8	178.2	-179.3	0	113.3	T318 T416	T318-K418 PolarHBondContact OG1-OXT 3.28Å; T318-K418 VanDerWaalsContact OG1-OXT 3.05Å; T416-K418 PolarHBondContact O-N 3.27Å

Retrieved 418 of 418 residues in 566 ms (Link to these results)

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