A0A087YFN9_POEFO Loading...

Protein disulfide-isomerase A5

AlphaFold DB , UniProt , Accession A0A087YFN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 535 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	S	34.1	Very low	32.7	Very low	163 Å²	163	146.3 Å²	146.3	100%	1.14	78%	0.784	S	S	*	*				0	125.1	0	10.2	0	0	0	0	107.5
2	H	31.1	Very low	32.5	Very low	190 Å²	190	145.7 Å²	145.7	88%	0.88	78%	0.779	S	S	*	*				56.3	126	53.7	-74.4	36.8	0	0	0	112
3	A	35	Very low	32.3	Very low	98 Å²	98	151.7 Å²	151.7	81%	0.81	78%	0.784	S	S	*	*			cis	-159.9	166.8	-9.1	0	0	0	0	0	107.1
4	G	33.1	Very low	31.9	Very low	63 Å²	63	149.9 Å²	149.9	65%	0.649	79%	0.789	S	S	*	*			cis	132.8	167.4	11	0	0	0	0	0	110.1
5	R	37.2	Very low	31.9	Very low	248 Å²	248	154.3 Å²	154.3	94%	0.936	79%	0.791	S	S	*	*			trans	79.8	145.9	-174.7	-70.2	-180	-94.6	-130.5	-0.2	114.9
6	S	33.5	Very low	31.7	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	78%	0.784	S	S	*	*			cis	-173.2	153	-10.8	-166.9	0	0	0	0	108.3
7	W	29.7	Very low	31.5	Very low	201 Å²	201	152.6 Å²	152.6	76%	0.761	78%	0.777	S	S	*	*			cis	-153.4	167	-9.2	-121.1	26.3	0	0	0	109.1
8	R	31.1	Very low	31.4	Very low	194 Å²	194	149.5 Å²	149.5	73%	0.732	77%	0.771	S	S	*	*				39.9	141	98.2	-53	-166.1	-171.6	-139.9	1	116.8
9	S	32.1	Very low	31.3	Very low	92 Å²	92	150.6 Å²	150.6	64%	0.643	77%	0.772	S	S	*	*			cis	-159.3	-166.4	-8	37.2	0	0	0	0	108.1
10	D	31.4	Very low	31.2	Very low	124 Å²	124	149.8 Å²	149.8	66%	0.663	77%	0.77	S	S	*	*			cis	-150.3	167.5	21.5	-90.7	-63.8	0	0	0	109
11	L	31.2	Very low	31.2	Very low	140 Å²	140	151.3 Å²	151.3	73%	0.733	78%	0.778	S	S	*	*				68.1	129.8	51.2	-67.6	174.5	0	0	0	113.4
12	L	30.9	Very low	31.1	Very low	139 Å²	139	150.1 Å²	150.1	73%	0.728	76%	0.759	S	S	*	*			cis	-147.3	158.6	4.8	-83.7	139.1	0	0	0	108.2
13	R	29.9	Very low	31.2	Very low	224 Å²	224	149.7 Å²	149.7	85%	0.845	75%	0.754	S	S	*	*			cis	85.9	99.9	40.6	-162.4	-159.8	-158.4	-154.4	10.2	116.1
14	C	26.8	Very low	31.2	Very low	126 Å²	126	152.3 Å²	152.3	85%	0.851	75%	0.754	S	S	*	*			trans	-178.9	139.7	149.5	-93.2	0	0	0	0	106.7
15	R	30.8	Very low	31.1	Very low	217 Å²	217	158.3 Å²	158.3	82%	0.819	76%	0.762	S	S	*	*			cis	82.4	135.6	16	-153.2	-170.6	-121.4	-127.5	4.8	116.1
16	F	28.6	Very low	30.9	Very low	154 Å²	154	154.2 Å²	154.2	68%	0.675	76%	0.758	S	S	*	*			trans	105.2	119	172.3	-84.8	-94.7	0	0	0	117.5
17	D	28.9	Very low	31	Very low	126 Å²	126	155.3 Å²	155.3	67%	0.674	76%	0.763	S	S	*	*			trans	48.3	132.3	133.9	-60.9	18.7	0	0	0	119.6
18	S	29.9	Very low	31.2	Very low	96 Å²	96	153.9 Å²	153.9	67%	0.671	77%	0.765	S	S	*	*			cis	94.3	126.8	32.6	81.7	0	0	0	0	115
19	E	30.1	Very low	31.6	Very low	170 Å²	170	153.1 Å²	153.1	79%	0.794	77%	0.772	S	S	*	*			trans	80.1	148.7	175.4	-54.2	-144.1	144.3	0	0	120
20	N	29.5	Very low	31.8	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	78%	0.777	S	S	*	*			trans	58.3	97.6	162.9	-64.5	-54	0	0	0	119.6
21	L	31	Very low	32.1	Very low	181 Å²	181	157.3 Å²	157.3	95%	0.948	78%	0.783	S	S	*	*				-150.7	134.7	101.8	-110.1	164.3	0	0	0	112.2
22	L	31.6	Very low	32.2	Very low	139 Å²	139	159.1 Å²	159.1	73%	0.728	79%	0.792	S	S	*	*			trans	-98.6	151.9	-172.3	-159.7	78.6	0	0	0	111
23	K	32.5	Very low	32.3	Very low	181 Å²	181	157 Å²	157	79%	0.787	79%	0.789	S	S	*	*			trans	76.6	112	169.2	-45.5	165.8	-173.9	174.3	0	115.9
24	L	34.8	Very low	32.6	Very low	152 Å²	152	151.6 Å²	151.6	80%	0.796	79%	0.786	S	S	*	*				-176.8	153.6	105.9	-98.4	161.5	0	0	0	113
25	F	32.2	Very low	32.8	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.833	78%	0.781	S	S	*	*			trans	71.7	152.8	174.2	-66.5	-72.2	0	0	0	120.3
26	L	32.3	Very low	33	Very low	161 Å²	161	148.1 Å²	148.1	84%	0.843	78%	0.782	S	S	*	*			trans	-93.8	162.3	-164.5	-100.3	68.7	0	0	0	112.9	Q28	L26-Q28 PolarHBondContact O-N 3.16Å
27	P	36.4	Very low	33.3	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	79%	0.788	S	S	*	*			trans	-74.4	118	-176	30.1	-34.6	0	0	0	112	M29	P27-M29 PolarHBondContact O-N 3.33Å; P27-M29 VanDerWaalsContact O-N 3.16Å
28	Q	33.5	Very low	34	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	79%	0.789	S	S	*	*			trans	-80.2	94.4	163.6	-158.5	169.1	31.2	0	0	108.4	L26 L30	L26-Q28 PolarHBondContact O-N 3.16Å; Q28-L30 PolarHBondContact O-N 2.77Å
29	M	39.4	Very low	35	Very low	177 Å²	177	141.5 Å²	141.5	87%	0.872	77%	0.774	S	S	*	*			trans	-69.5	73.5	177.7	-170.7	-178.3	-176.6	0	0	110.3	P27 M31	P27-M29 PolarHBondContact O-N 3.33Å; P27-M29 VanDerWaalsContact O-N 3.16Å; M29-M31 PolarHBondContact O-N 3.03Å; M29-M31 VanDerWaalsContact O-N 3.11Å
30	L	36.8	Very low	36.4	Very low	143 Å²	143	143.2 Å²	143.2	75%	0.749	78%	0.779	S	S	*	*			trans	-64.6	111.4	175.4	-100.6	162.7	0	0	0	109	Q28 L32	Q28-L30 PolarHBondContact O-N 2.77Å; L30-L32 PolarHBondContact O-N 3.11Å
31	M	36	Very low	38.2	Very low	162 Å²	162	138.5 Å²	138.5	80%	0.798	76%	0.755	S	S	*	*			trans	-49.2	112.9	171.5	-71.3	-78.2	-170.2	0	0	109.5	M29 S33	M29-M31 PolarHBondContact O-N 3.03Å; M29-M31 VanDerWaalsContact O-N 3.11Å; M31-S33 PolarHBondContact O-N 3.05Å
32	L	35.2	Very low	40.7	Very low	177 Å²	177	131 Å²	131	93%	0.927	72%	0.717	S	S	*	*			trans	-68.3	75.8	156.3	-89.3	164.5	0	0	0	107.4	L30 S34	L30-L32 PolarHBondContact O-N 3.11Å; L32-S34 PolarHBondContact O-N 2.81Å
33	S	32.8	Very low	43.3	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	72%	0.722	S	S	*	*			trans	-59.5	112.3	168.2	48.1	0	0	0	0	106.9	M31 S35	M31-S33 PolarHBondContact O-N 3.05Å; S33-S35 PolarHBondContact O-N 2.81Å
34	S	34.8	Very low	46	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	70%	0.699	S	S	*	*			trans	-67.5	85.1	176.1	53.8	0	0	0	0	108.5	L32 L36	L32-S34 PolarHBondContact O-N 2.81Å; S34-L36 PolarHBondContact O-N 2.75Å
35	S	31	Very low	48.8	Very low	107 Å²	107	117.8 Å²	117.8	75%	0.748	66%	0.663	S	S	*	*			trans	-66.1	87.5	175.4	50.4	0	0	0	0	108.5	S33 A37	S33-S35 PolarHBondContact O-N 2.81Å; S35-A37 PolarHBondContact O-N 2.82Å
36	L	35.1	Very low	51.7	Low	163 Å²	163	111.7 Å²	111.7	85%	0.853	64%	0.639	S	S	*	*			trans	-48.9	103.7	165.1	-81.8	161.2	0	0	0	107.4	S34 A38	S34-L36 PolarHBondContact O-N 2.75Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.83Å
37	A	35.4	Very low	54.6	Low	95 Å²	95	110.1 Å²	110.1	79%	0.785	63%	0.626	S	S	*	*			trans	-66.1	95.7	-178.2	0	0	0	0	0	107.7	S35 V39	S35-A37 PolarHBondContact O-N 2.82Å; A37-V39 PolarHBondContact O-N 3.43Å; A37-V39 VanDerWaalsContact O-N 3.09Å
38	A	43.7	Very low	57.4	Low	86 Å²	86	105 Å²	105	71%	0.711	59%	0.592	S	S	*	*			trans	-54.6	120.5	-179.7	0	0	0	0	0	108.7	L36 K40	L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.83Å; A38-K40 PolarHBondContact O-N 3.32Å
39	V	50.1	Low	60	Low	57 Å²	57	99.2 Å²	99.2	35%	0.345	57%	0.571	S	S	.	*			trans	-54.4	109.7	-175.1	178.1	0	0	0	0	108.6	A37 V41 T73 L79	A37-V39 PolarHBondContact O-N 3.43Å; A37-V39 VanDerWaalsContact O-N 3.09Å; V39-V41 HydrophobicContact CG1-CG2 4.37Å; V39-V41 PolarHBondContact O-N 3Å; V39-T73 HydrophobicContact CG2-CG2 4.15Å; V39-L79 HydrophobicContact CG1-CD1 4.41Å
40	K	60.2	Low	62.3	Low	206 Å²	206	93.6 Å²	93.6	90%	0.896	55%	0.545	S	S	*	.			trans	-74.3	82.4	178.4	-76.1	-172.6	176.5	-179.4	0	108.8	A38 S42	A38-K40 PolarHBondContact O-N 3.32Å; K40-S42 PolarHBondContact O-N 3.17Å
41	V	68.5	Low	64.9	Low	36 Å²	36	89.1 Å²	89.1	22%	0.218	52%	0.519	C	S	.	.			trans	-54.2	135	171.5	175.2	0	0	0	0	109.3	V39 I45 L79 W97	V39-V41 HydrophobicContact CG1-CG2 4.37Å; V39-V41 PolarHBondContact O-N 3Å; V41-I45 HydrophobicContact CG1-CB 3.8Å; V41-I45 HydrophobicContact CG1-CD1 4.25Å; V41-I45 HydrophobicContact CG1-CG2 3.86Å; V41-L79 HydrophobicContact CG1-CD2 4.21Å; V41-L79 HydrophobicContact CG2-CD1 4.03Å; V41-L79 HydrophobicContact CG2-CD2 4.07Å; V41-W97 HydrophobicContact CB-CE3 4.4Å; V41-W97 HydrophobicContact CB-CZ3 4.45Å; V41-W97 HydrophobicContact CG1-CE3 4.3Å; V41-W97 HydrophobicContact CG2-CD2 4.4Å; V41-W97 HydrophobicContact CG2-CE3 3.71Å; V41-W97 HydrophobicContact CG2-CH2 4.14Å; V41-W97 HydrophobicContact CG2-CZ3 3.56Å
42	S	82.6	Confident	67.6	Low	22 Å²	22	89.2 Å²	89.2	15%	0.154	52%	0.516	C	S	.	.			trans	-56.9	139.8	-176.4	-177.3	0	0	0	0	111.5	K40 L44 I45 S83	K40-S42 PolarHBondContact O-N 3.17Å; S42-L44 PolarHBondContact O-N 2.74Å; S42-L44 PolarHBondContact OG-N 3.09Å; S42-I45 PolarHBondContact O-N 3.19Å; S42-S83 WeakPolarHBondContact CB-OG 3.14Å; S42-S83 PolarHBondContact OG-OG 3.36Å
43	P	86.8	Confident	70.3	Confident	130 Å²	130	84 Å²	84	84%	0.844	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-0.7	175.5	30.4	-37	0	0	0	113.5
44	L	89.3	Confident	73.3	Confident	57 Å²	57	79.9 Å²	79.9	30%	0.298	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.7	172	-56.4	175.9	0	0	0	113.3	S42 A86 Q87	S42-L44 PolarHBondContact O-N 2.74Å; S42-L44 PolarHBondContact OG-N 3.09Å; L44-A86 HydrophobicContact CB-CB 3.83Å; L44-Q87 HydrophobicContact CD1-CB 3.68Å; L44-Q87 HydrophobicContact CD1-CG 4.44Å
45	I	93.3	Very high	76.1	Confident	9 Å²	9	80.7 Å²	80.7	5%	0.046	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.8	178.9	-63.3	174.1	0	0	0	108.6	V41 S42 K47 L79 L82 I95 W97	V41-I45 HydrophobicContact CG1-CB 3.8Å; V41-I45 HydrophobicContact CG1-CD1 4.25Å; V41-I45 HydrophobicContact CG1-CG2 3.86Å; S42-I45 PolarHBondContact O-N 3.19Å; I45-K47 PolarHBondContact O-N 3.13Å; I45-L79 HydrophobicContact CD1-CD2 4.28Å; I45-L82 HydrophobicContact CD1-CB 4.01Å; I45-I95 WeakPolarHBondContact CA-O 3.21Å; I45-I95 HydrophobicContact CG1-CG2 4.15Å; I45-I95 HydrophobicContact CG2-CG2 4.3Å; I45-W97 HydrophobicContact CG2-CB 3.72Å
46	D	93.1	Very high	79.2	Confident	61 Å²	61	81.1 Å²	81.1	33%	0.326	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	100.5	178.9	-79	-25.7	0	0	0	109.8	V48 L57 T94 I95 A96 W97	D46-V48 PolarHBondContact O-N 2.94Å; D46-L57 HydrophobicContact CB-CD1 4.48Å; D46-L57 WeakPolarHBondContact OD2-CD1 3.44Å; D46-T94 WeakPolarHBondContact OD2-CG2 3.25Å; D46-I95 PolarHBondContact N-O 2.97Å; D46-A96 HydrophobicContact CB-CB 4.09Å; D46-A96 CarbonylContact O-C 3.57Å; D46-A96 WeakPolarHBondContact O-CA 3.27Å; D46-A96 VanDerWaalsContact O-CB 3.26Å; D46-A96 WeakPolarHBondContact O-CB 3.42Å; D46-W97 PolarHBondContact O-N 2.83Å
47	K	93.8	Very high	82	Confident	128 Å²	128	74 Å²	74	56%	0.557	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.9	173.7	-178	179.1	178.8	179.4	0	110	I45 W97	I45-K47 PolarHBondContact O-N 3.13Å; K47-W97 HydrophobicContact CB-CE3 4.34Å; K47-W97 HydrophobicContact CD-CE3 3.99Å; K47-W97 HydrophobicContact CD-CZ3 3.78Å; K47-W97 HydrophobicContact CG-CE3 3.82Å; K47-W97 HydrophobicContact CG-CZ3 4.14Å
48	V	93.6	Very high	84.9	Confident	11 Å²	11	70.3 Å²	70.3	7%	0.067	37%	0.366	C	S	.	.			trans	-123.6	120.1	179.9	-176	0	0	0	0	110.7	D46 D50 F54 L57 W97 V98 L108	D46-V48 PolarHBondContact O-N 2.94Å; V48-D50 WeakPolarHBondContact CG1-O 3.26Å; V48-F54 HydrophobicContact CG1-CB 3.77Å; V48-F54 HydrophobicContact CG1-CD2 4.18Å; V48-F54 HydrophobicContact CG1-CG 4.5Å; V48-L57 HydrophobicContact CG2-CD2 3.95Å; V48-W97 PolarHBondContact N-O 3.1Å; V48-V98 HydrophobicContact CB-CG2 4.23Å; V48-L108 HydrophobicContact CG1-CD2 3.96Å
49	S	87.9	Confident	87.2	Confident	52 Å²	52	76.2 Å²	76.2	36%	0.364	37%	0.37	S	S	.	.			trans	-106.1	-16.3	178.4	47	0	0	0	0	114.4	E104 G105	S49-E104 CarbonylContact O-C 3.54Å; S49-E104 VanDerWaalsContact O-CB 3.26Å; S49-E104 WeakPolarHBondContact O-CB 3.39Å; S49-G105 PolarHBondContact O-N 2.95Å
50	D	89.3	Confident	89.3	Confident	59 Å²	59	77.8 Å²	77.8	32%	0.316	38%	0.38	S	S	.	.	S	Bend	trans	-137.1	166.3	-175.2	88.4	81.3	0	0	0	114.9	V48 K52 D53 F54	V48-D50 WeakPolarHBondContact CG1-O 3.26Å; D50-K52 WeakPolarHBondContact OD1-CA 3.01Å; D50-K52 WeakPolarHBondContact OD1-CB 3.45Å; D50-K52 PolarHBondContact OD1-N 2.77Å; D50-D53 PolarHBondContact OD1-N 3.5Å; D50-F54 WeakPolarHBondContact O-CB 3.49Å; D50-F54 PolarHBondContact O-N 3.09Å
51	H	91.1	Very high	91	Very high	48 Å²	48	73.4 Å²	73.4	22%	0.222	36%	0.358	C	S	.	.	H	α-helix	trans	-80.5	-18.4	-170.6	-169.2	76	0	0	0	115.2	K55 L108 K111	H51-K55 WeakPolarHBondContact NE2-CE 3.48Å; H51-K55 PolarHBondContact NE2-NZ 2.75Å; H51-K55 WeakPolarHBondContact O-CB 3.03Å; H51-K55 WeakPolarHBondContact O-CG 3.34Å; H51-K55 PolarHBondContact O-N 3.1Å; H51-L108 HydrophobicContact CB-CD1 4.14Å; H51-K111 HydrophobicContact CB-CD 4.05Å
52	K	91.6	Very high	92.1	Very high	165 Å²	165	76 Å²	76	72%	0.717	37%	0.374	S	S	*	.	H	α-helix	trans	-75	-48.7	172.4	-177.1	-171.2	176.1	-172.2	0	109.3	D50 K55 K56	D50-K52 WeakPolarHBondContact OD1-CA 3.01Å; D50-K52 WeakPolarHBondContact OD1-CB 3.45Å; D50-K52 PolarHBondContact OD1-N 2.77Å; K52-K55 PolarHBondContact O-N 3.09Å; K52-K56 WeakPolarHBondContact O-CB 3.44Å; K52-K56 PolarHBondContact O-N 3.33Å
53	D	93.6	Very high	92.8	Very high	68 Å²	68	76 Å²	76	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-74.6	-30	-180	-85.4	6.8	0	0	0	112.6	D50 K55 K56 L57	D50-D53 PolarHBondContact OD1-N 3.5Å; D53-K55 PolarHBondContact O-N 2.71Å; D53-K56 WeakPolarHBondContact O-CB 3.35Å; D53-K56 PolarHBondContact O-N 2.88Å; D53-L57 WeakPolarHBondContact O-CB 3.04Å; D53-L57 PolarHBondContact O-N 3.24Å
54	F	94.9	Very high	93.3	Very high	7 Å²	7	69.8 Å²	69.8	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-46	166.5	-169.8	-105.2	0	0	0	112.5	V48 D50 K56 L57 L58 V66 Y68 L108 V112 Y128	V48-F54 HydrophobicContact CG1-CB 3.77Å; V48-F54 HydrophobicContact CG1-CD2 4.18Å; V48-F54 HydrophobicContact CG1-CG 4.5Å; D50-F54 WeakPolarHBondContact O-CB 3.49Å; D50-F54 PolarHBondContact O-N 3.09Å; F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.26Å; F54-L57 PolarHBondContact O-N 3.42Å; F54-L58 HydrophobicContact CD1-CD1 4.11Å; F54-L58 HydrophobicContact CE1-CD1 3.45Å; F54-L58 VanDerWaalsContact CE1-CD1 3.45Å; F54-L58 HydrophobicContact CE1-CG 4.17Å; F54-L58 HydrophobicContact CZ-CD1 3.73Å; F54-L58 HydrophobicContact CZ-CG 4.22Å; F54-L58 WeakPolarHBondContact O-CG 3.45Å; F54-L58 PolarHBondContact O-N 3.02Å; F54-L58 VanDerWaalsContact O-N 3.08Å; F54-V66 HydrophobicContact CE2-CG1 4.32Å; F54-V66 HydrophobicContact CE2-CG2 4.15Å; F54-Y68 WeakPolarHBondContact CE2-OH 3.44Å; F54-Y68 WeakPolarHBondContact CZ-OH 3.5Å; F54-L108 HydrophobicContact CB-CD1 3.89Å; F54-L108 HydrophobicContact CB-CD2 4.13Å; F54-L108 HydrophobicContact CD1-CD1 4.14Å; F54-L108 HydrophobicContact CD2-CD2 4.34Å; F54-L108 HydrophobicContact CG-CD1 3.95Å; F54-L108 HydrophobicContact CG-CD2 4.35Å; F54-V112 HydrophobicContact CD1-CG1 4.14Å; F54-V112 HydrophobicContact CE1-CG1 3.74Å; F54-V112 HydrophobicContact CZ-CG1 4.4Å; F54-Y128 HydrophobicContact CZ-CE1 4.2Å; F54-Y128 HydrophobicContact CZ-CE2 4.06Å; F54-Y128 AromaticContact CZ-CZ 3.88Å
55	K	94.1	Very high	93.7	Very high	127 Å²	127	67.1 Å²	67.1	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-66.5	-33.9	175.1	-82.2	179.7	166.5	173.6	0	113	H51 K52 D53 R59	H51-K55 WeakPolarHBondContact NE2-CE 3.48Å; H51-K55 PolarHBondContact NE2-NZ 2.75Å; H51-K55 WeakPolarHBondContact O-CB 3.03Å; H51-K55 WeakPolarHBondContact O-CG 3.34Å; H51-K55 PolarHBondContact O-N 3.1Å; K52-K55 PolarHBondContact O-N 3.09Å; D53-K55 PolarHBondContact O-N 2.71Å; K55-R59 VanDerWaalsContact O-CB 3.27Å; K55-R59 WeakPolarHBondContact O-CB 3.45Å; K55-R59 PolarHBondContact O-N 2.89Å; K55-R59 VanDerWaalsContact O-N 3.1Å
56	K	94.9	Very high	93.9	Very high	117 Å²	117	66.7 Å²	66.7	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-52.2	174	-178.3	-170.6	173.2	-166.8	0	110	K52 D53 F54 L58 R59 T60	K52-K56 WeakPolarHBondContact O-CB 3.44Å; K52-K56 PolarHBondContact O-N 3.33Å; D53-K56 WeakPolarHBondContact O-CB 3.35Å; D53-K56 PolarHBondContact O-N 2.88Å; F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.26Å; K56-L58 PolarHBondContact O-N 3.08Å; K56-R59 PolarHBondContact O-N 3.45Å; K56-R59 VanDerWaalsContact O-N 3.11Å; K56-T60 PolarHBondContact O-N 3.02Å; K56-T60 PolarHBondContact O-OG1 3.32Å
57	L	95.3	Very high	94	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-51.9	-56.8	177.4	175.2	66.5	0	0	0	111.3	D46 V48 D53 F54 R59 T60 R61 V64 T94 A96	D46-L57 HydrophobicContact CB-CD1 4.48Å; D46-L57 WeakPolarHBondContact OD2-CD1 3.44Å; V48-L57 HydrophobicContact CG2-CD2 3.95Å; D53-L57 WeakPolarHBondContact O-CB 3.04Å; D53-L57 PolarHBondContact O-N 3.24Å; F54-L57 PolarHBondContact O-N 3.42Å; L57-R59 PolarHBondContact O-N 3.11Å; L57-T60 PolarHBondContact O-N 3.29Å; L57-T60 PolarHBondContact O-OG1 3.35Å; L57-R61 HydrophobicContact CD1-CB 4.46Å; L57-R61 HydrophobicContact CD1-CG 3.68Å; L57-R61 WeakPolarHBondContact O-CB 3.36Å; L57-R61 PolarHBondContact O-N 2.74Å; L57-V64 HydrophobicContact CD2-CG1 4.02Å; L57-V64 HydrophobicContact CG-CG1 4.35Å; L57-T94 HydrophobicContact CD1-CG2 4.14Å; L57-A96 HydrophobicContact CD2-CB 3.6Å
58	L	94.9	Very high	94.1	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-23.9	-179.6	-67.8	-167	0	0	0	113.8	F54 K56 V64 Y128 G131	F54-L58 HydrophobicContact CD1-CD1 4.11Å; F54-L58 HydrophobicContact CE1-CD1 3.45Å; F54-L58 VanDerWaalsContact CE1-CD1 3.45Å; F54-L58 HydrophobicContact CE1-CG 4.17Å; F54-L58 HydrophobicContact CZ-CD1 3.73Å; F54-L58 HydrophobicContact CZ-CG 4.22Å; F54-L58 WeakPolarHBondContact O-CG 3.45Å; F54-L58 PolarHBondContact O-N 3.02Å; F54-L58 VanDerWaalsContact O-N 3.08Å; K56-L58 PolarHBondContact O-N 3.08Å; L58-V64 HydrophobicContact CD2-CB 4.11Å; L58-V64 HydrophobicContact CD2-CG1 4.34Å; L58-V64 HydrophobicContact CD2-CG2 4.08Å; L58-Y128 HydrophobicContact CD1-CD1 3.69Å; L58-Y128 HydrophobicContact CD1-CE1 4.22Å; L58-Y128 HydrophobicContact CD1-CG 4.07Å; L58-Y128 HydrophobicContact CD2-CD1 4.29Å; L58-Y128 HydrophobicContact CD2-CD2 4.34Å; L58-Y128 HydrophobicContact CD2-CG 3.8Å; L58-G131 WeakPolarHBondContact O-CA 3.37Å
59	R	93.3	Very high	94.2	Very high	211 Å²	211	57.2 Å²	57.2	80%	0.796	27%	0.271	S	S	*	.	H	α-helix	trans	-82.5	-24.1	173.8	-168.2	-176	68.5	161.3	3.6	112.9	K55 K56 L57	K55-R59 VanDerWaalsContact O-CB 3.27Å; K55-R59 WeakPolarHBondContact O-CB 3.45Å; K55-R59 PolarHBondContact O-N 2.89Å; K55-R59 VanDerWaalsContact O-N 3.1Å; K56-R59 PolarHBondContact O-N 3.45Å; K56-R59 VanDerWaalsContact O-N 3.11Å; L57-R59 PolarHBondContact O-N 3.11Å
60	T	93.8	Very high	94.5	Very high	89 Å²	89	59.5 Å²	59.5	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-103.8	-8.9	-176.9	55.4	0	0	0	0	114.4	K56 L57	K56-T60 PolarHBondContact O-N 3.02Å; K56-T60 PolarHBondContact O-OG1 3.32Å; L57-T60 PolarHBondContact O-N 3.29Å; L57-T60 PolarHBondContact O-OG1 3.35Å
61	R	94.6	Very high	94.6	Very high	114 Å²	114	59.1 Å²	59.1	43%	0.43	27%	0.274	S	S	.	.			trans	-131.4	125.2	179.7	-55.3	-63.6	-160.4	174.7	6.7	109.3	L57 V64 T94	L57-R61 HydrophobicContact CD1-CB 4.46Å; L57-R61 HydrophobicContact CD1-CG 3.68Å; L57-R61 WeakPolarHBondContact O-CB 3.36Å; L57-R61 PolarHBondContact O-N 2.74Å; R61-V64 HydrophobicContact CB-CG2 3.42Å; R61-V64 VanDerWaalsContact CB-CG2 3.42Å; R61-V64 HydrophobicContact CG-CG2 4.39Å; R61-T94 VanDerWaalsContact CD-OG1 3.3Å; R61-T94 WeakPolarHBondContact CD-OG1 3.11Å; R61-T94 HydrophobicContact CG-CG2 4.24Å; R61-T94 PolarHBondContact NE-OG1 3.48Å
62	T	93.3	Very high	94.3	Very high	92 Å²	92	59.1 Å²	59.1	56%	0.564	28%	0.282	S	S	*	.	S	Bend	trans	-86.3	-11	-177.8	46.9	0	0	0	0	114.1	K129 D130	T62-K129 CarbonylContact O-C 3.56Å; T62-K129 VanDerWaalsContact O-CA 3.27Å; T62-K129 WeakPolarHBondContact O-CA 3.37Å; T62-D130 VanDerWaalsContact CB-OD1 3.3Å; T62-D130 WeakPolarHBondContact CB-OD1 3.39Å; T62-D130 WeakPolarHBondContact CG2-OD1 3.07Å; T62-D130 PolarHBondContact O-N 2.89Å
63	N	96.4	Very high	93.9	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.112	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	103	-175.9	179.2	1.8	0	0	0	108.3	Q92 T94 L150	N63-Q92 PolarHBondContact ND2-O 3.12Å; N63-T94 PolarHBondContact O-N 3.38Å; N63-L150 PolarHBondContact ND2-O 3Å; N63-L150 WeakPolarHBondContact OD1-CD2 3.38Å
64	V	97.3	Very high	93.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	118.5	-171.3	-168.8	0	0	0	0	111.4	L57 L58 R61 V66 T94 A96 H127 Y128	L57-V64 HydrophobicContact CD2-CG1 4.02Å; L57-V64 HydrophobicContact CG-CG1 4.35Å; L58-V64 HydrophobicContact CD2-CB 4.11Å; L58-V64 HydrophobicContact CD2-CG1 4.34Å; L58-V64 HydrophobicContact CD2-CG2 4.08Å; R61-V64 HydrophobicContact CB-CG2 3.42Å; R61-V64 VanDerWaalsContact CB-CG2 3.42Å; R61-V64 HydrophobicContact CG-CG2 4.39Å; V64-V66 HydrophobicContact CG1-CG2 3.79Å; V64-T94 WeakPolarHBondContact CA-O 3.28Å; V64-A96 HydrophobicContact CG1-CB 4.39Å; V64-H127 WeakPolarHBondContact O-CA 3.31Å; V64-H127 PolarHBondContact O-CD2 3.12Å; V64-Y128 PolarHBondContact N-O 2.97Å; V64-Y128 PolarHBondContact O-N 2.95Å
65	L	97.7	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123	167.8	-179.5	65	0	0	0	109.5	L82 T94 I95 A96 L125 H127 F149 L150	L65-L82 HydrophobicContact CD2-CD2 4.02Å; L65-T94 PolarHBondContact N-O 3.09Å; L65-I95 HydrophobicContact CB-CG1 4.33Å; L65-I95 WeakPolarHBondContact O-CA 3.38Å; L65-A96 PolarHBondContact O-N 2.97Å; L65-L125 HydrophobicContact CD1-CB 4.25Å; L65-L125 HydrophobicContact CD1-CD2 4.04Å; L65-L125 HydrophobicContact CD2-CD2 4.18Å; L65-L125 HydrophobicContact CG-CD2 3.92Å; L65-H127 HydrophobicContact CD1-CB 4.39Å; L65-F149 HydrophobicContact CD1-CE1 4.42Å; L65-L150 HydrophobicContact CB-CD1 4.22Å; L65-L150 HydrophobicContact CB-CD2 3.87Å; L65-L150 HydrophobicContact CB-CG 4.42Å; L65-L150 HydrophobicContact CD2-CD1 4Å; L65-L150 HydrophobicContact CD2-CG 4.45Å
66	V	97.3	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	-175.9	-171.2	0	0	0	0	109.8	F54 V64 Y68 A96 V98 L126 Y128	F54-V66 HydrophobicContact CE2-CG1 4.32Å; F54-V66 HydrophobicContact CE2-CG2 4.15Å; V64-V66 HydrophobicContact CG1-CG2 3.79Å; V66-Y68 HydrophobicContact CB-CD2 4.35Å; V66-Y68 HydrophobicContact CB-CE2 3.71Å; V66-Y68 HydrophobicContact CG1-CD2 3.96Å; V66-Y68 HydrophobicContact CG1-CE1 4.28Å; V66-Y68 HydrophobicContact CG1-CE2 3.41Å; V66-Y68 VanDerWaalsContact CG1-CE2 3.41Å; V66-A96 WeakPolarHBondContact CA-O 3.27Å; V66-A96 HydrophobicContact CG1-CB 4.44Å; V66-A96 HydrophobicContact CG2-CB 4.29Å; V66-V98 HydrophobicContact CG1-CG2 3.86Å; V66-L126 PolarHBondContact N-O 2.88Å; V66-L126 PolarHBondContact O-N 2.85Å; V66-Y128 HydrophobicContact CB-CD2 4.38Å; V66-Y128 HydrophobicContact CB-CE2 4.11Å; V66-Y128 HydrophobicContact CG2-CD2 3.62Å; V66-Y128 HydrophobicContact CG2-CE2 3.74Å
67	L	96.5	Very high	92.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.6	168.5	-178.4	71.7	0	0	0	109.5	T69 Y78 L79 L82 A96 W97 V98 A123 L125	L67-T69 HydrophobicContact CD1-CG2 4.42Å; L67-T69 HydrophobicContact CD2-CG2 3.86Å; L67-T69 HydrophobicContact CG-CG2 3.87Å; L67-Y78 HydrophobicContact CD1-CD1 4.41Å; L67-Y78 HydrophobicContact CD1-CD2 4.49Å; L67-Y78 HydrophobicContact CD1-CG 4.01Å; L67-L79 HydrophobicContact CD2-CD2 3.79Å; L67-L79 HydrophobicContact CD2-CG 3.78Å; L67-L82 HydrophobicContact CB-CD1 3.95Å; L67-L82 HydrophobicContact CD2-CD1 3.93Å; L67-L82 HydrophobicContact CG-CD1 4.35Å; L67-A96 PolarHBondContact N-O 2.93Å; L67-W97 CarbonylContact O-C 3.58Å; L67-W97 WeakPolarHBondContact O-CA 3.43Å; L67-V98 PolarHBondContact O-N 3.22Å; L67-A123 HydrophobicContact CD1-CB 4.28Å; L67-L125 HydrophobicContact CB-CD2 3.86Å; L67-L125 HydrophobicContact CD1-CD2 3.77Å; L67-L125 HydrophobicContact CD1-CG 3.85Å; L67-L125 HydrophobicContact CG-CD2 4.44Å
68	Y	95.8	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.7	169.1	-66.4	-91.4	0	0	0	109.2	F54 V66 V98 V112 V114 A123 E124 L126 Y128	F54-Y68 WeakPolarHBondContact CE2-OH 3.44Å; F54-Y68 WeakPolarHBondContact CZ-OH 3.5Å; V66-Y68 HydrophobicContact CB-CD2 4.35Å; V66-Y68 HydrophobicContact CB-CE2 3.71Å; V66-Y68 HydrophobicContact CG1-CD2 3.96Å; V66-Y68 HydrophobicContact CG1-CE1 4.28Å; V66-Y68 HydrophobicContact CG1-CE2 3.41Å; V66-Y68 VanDerWaalsContact CG1-CE2 3.41Å; Y68-V98 WeakPolarHBondContact CA-O 3.48Å; Y68-V98 HydrophobicContact CD1-CB 3.61Å; Y68-V98 HydrophobicContact CD1-CG1 3.85Å; Y68-V98 HydrophobicContact CD1-CG2 4.14Å; Y68-V98 HydrophobicContact CE1-CB 3.76Å; Y68-V98 HydrophobicContact CE1-CG1 3.94Å; Y68-V98 HydrophobicContact CE1-CG2 3.78Å; Y68-V98 HydrophobicContact CG-CB 4.42Å; Y68-V112 HydrophobicContact CE1-CG2 3.98Å; Y68-V114 HydrophobicContact CD1-CB 4.33Å; Y68-V114 HydrophobicContact CD1-CG1 4.02Å; Y68-V114 HydrophobicContact CD2-CG1 4.01Å; Y68-V114 HydrophobicContact CE1-CG2 4.45Å; Y68-V114 HydrophobicContact CE2-CG2 4.43Å; Y68-V114 HydrophobicContact CG-CB 4.48Å; Y68-V114 HydrophobicContact CG-CG1 3.72Å; Y68-A123 CarbonylContact O-C 3.39Å; Y68-A123 WeakPolarHBondContact O-CA 3.4Å; Y68-E124 PolarHBondContact N-O 2.83Å; Y68-E124 PolarHBondContact O-N 3.2Å; Y68-L126 HydrophobicContact CD2-CB 4.42Å; Y68-L126 HydrophobicContact CD2-CD1 4Å; Y68-L126 HydrophobicContact CD2-CG 4.11Å; Y68-L126 HydrophobicContact CE2-CB 4.07Å; Y68-L126 HydrophobicContact CE2-CD1 3.76Å; Y68-L126 HydrophobicContact CE2-CG 4.09Å; Y68-Y128 HydrophobicContact CE2-CE2 4.33Å; Y68-Y128 PolarHBondContact OH-OH 3.23Å
69	T	95.6	Very high	91.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.9	178.7	62.1	0	0	0	0	112.1	L67 T71 W97 V98 C100 A123	L67-T69 HydrophobicContact CD1-CG2 4.42Å; L67-T69 HydrophobicContact CD2-CG2 3.86Å; L67-T69 HydrophobicContact CG-CG2 3.87Å; T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 WeakPolarHBondContact CB-O 3.4Å; T69-T71 PolarHBondContact OG1-O 3.38Å; T69-W97 PolarHBondContact OG1-NE1 3.19Å; T69-V98 PolarHBondContact N-O 3.32Å; T69-C100 WeakPolarHBondContact O-CB 3.49Å; T69-C100 PolarHBondContact O-N 2.87Å; T69-A123 HydrophobicContact CG2-CB 4.37Å
70	K	94	Very high	91.5	Very high	100 Å²	100	47 Å²	47	44%	0.435	25%	0.253	S	S	.	.	S	Bend	trans	-65.4	-34.8	177.2	-176.6	-176.6	-169.7	172.4	0	112.4	G101 P116 G122	K70-G101 WeakPolarHBondContact O-CA 3.47Å; K70-G101 PolarHBondContact O-N 3.18Å; K70-P116 HydrophobicContact CB-CG 4.47Å; K70-G122 WeakPolarHBondContact CB-O 3.36Å; K70-G122 PolarHBondContact N-O 3.44Å
71	T	89.8	Confident	91.4	Very high	52 Å²	52	44.5 Å²	44.5	32%	0.319	24%	0.236	S	C	.	.	S	Bend	trans	-137.2	178.5	176	77.4	0	0	0	0	110	T69 T73 S74 N99	T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 WeakPolarHBondContact CB-O 3.4Å; T69-T71 PolarHBondContact OG1-O 3.38Å; T71-T73 PolarHBondContact O-N 3.45Å; T71-T73 PolarHBondContact OG1-N 2.78Å; T71-T73 VanDerWaalsContact OG1-N 3.09Å; T71-T73 PolarHBondContact OG1-OG1 3.25Å; T71-S74 PolarHBondContact OG1-N 3.12Å; T71-S74 VanDerWaalsContact OG1-N 3.09Å; T71-S74 PolarHBondContact OG1-OG 3.27Å; T71-S74 VanDerWaalsContact OG1-OG 3.1Å; T71-N99 WeakPolarHBondContact CA-OD1 3.22Å; T71-N99 PolarHBondContact O-OD1 3.31Å
72	A	84.8	Confident	91.4	Very high	47 Å²	47	39.1 Å²	39.1	39%	0.388	22%	0.216	S	C	.	.	S	Bend	trans	-63.2	-19.6	172.7	0	0	0	0	0	114.4	N99	A72-N99 PolarHBondContact N-OD1 2.86Å
73	T	84.8	Confident	91.4	Very high	85 Å²	85	36 Å²	36	52%	0.521	20%	0.197	S	C	.	.	S	Bend	trans	-115.4	-13.5	-174.6	54.1	0	0	0	0	114.4	V39 T71 G75 D76	V39-T73 HydrophobicContact CG2-CG2 4.15Å; T71-T73 PolarHBondContact O-N 3.45Å; T71-T73 PolarHBondContact OG1-N 2.78Å; T71-T73 VanDerWaalsContact OG1-N 3.09Å; T71-T73 PolarHBondContact OG1-OG1 3.25Å; T73-G75 PolarHBondContact O-N 3.04Å; T73-D76 WeakPolarHBondContact CA-OD1 3.46Å; T73-D76 WeakPolarHBondContact CB-OD2 3.28Å; T73-D76 PolarHBondContact O-N 3.29Å
74	S	84.4	Confident	91.3	Very high	28 Å²	28	39 Å²	39	20%	0.196	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	2.3	179.2	-68.4	0	0	0	0	115.3	T71 G122 A123	T71-S74 PolarHBondContact OG1-N 3.12Å; T71-S74 VanDerWaalsContact OG1-N 3.09Å; T71-S74 PolarHBondContact OG1-OG 3.27Å; T71-S74 VanDerWaalsContact OG1-OG 3.1Å; S74-G122 WeakPolarHBondContact CB-O 3.5Å; S74-A123 WeakPolarHBondContact O-CB 3.48Å
75	G	81.1	Confident	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	21.7	178.1	0	0	0	0	0	114.2	T73 S77 Y78 L79	T73-G75 PolarHBondContact O-N 3.04Å; G75-S77 VanDerWaalsContact C-N 3.25Å; G75-S77 PolarHBondContact O-N 2.97Å; G75-Y78 CarbonylContact O-C 3.54Å; G75-Y78 WeakPolarHBondContact O-CA 3.1Å; G75-Y78 WeakPolarHBondContact O-CB 3.45Å; G75-Y78 PolarHBondContact O-N 3.21Å; G75-L79 WeakPolarHBondContact O-CG 3.37Å; G75-L79 PolarHBondContact O-N 3.31Å
76	D	86.1	Confident	91.1	Very high	64 Å²	64	39.5 Å²	39.5	34%	0.342	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-33.7	-174.5	-69.3	-16.5	0	0	0	113.4	T73 K80	T73-D76 WeakPolarHBondContact CA-OD1 3.46Å; T73-D76 WeakPolarHBondContact CB-OD2 3.28Å; T73-D76 PolarHBondContact O-N 3.29Å; D76-K80 PolarHBondContact O-N 3.41Å; D76-K80 VanDerWaalsContact O-N 3.12Å
77	S	86.7	Confident	90.9	Very high	71 Å²	71	44.7 Å²	44.7	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-57.9	-52.5	170.1	48.7	0	0	0	0	111.7	G75 L81	G75-S77 VanDerWaalsContact C-N 3.25Å; G75-S77 PolarHBondContact O-N 2.97Å; S77-L81 PolarHBondContact O-N 3.2Å
78	Y	90.3	Very high	90.7	Very high	54 Å²	54	47.5 Å²	47.5	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-47	176.9	-71.7	-83.1	0	0	0	112.1	L67 G75 K80 L81 L82 E121 A123 L125 A141 M146	L67-Y78 HydrophobicContact CD1-CD1 4.41Å; L67-Y78 HydrophobicContact CD1-CD2 4.49Å; L67-Y78 HydrophobicContact CD1-CG 4.01Å; G75-Y78 CarbonylContact O-C 3.54Å; G75-Y78 WeakPolarHBondContact O-CA 3.1Å; G75-Y78 WeakPolarHBondContact O-CB 3.45Å; G75-Y78 PolarHBondContact O-N 3.21Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.41Å; Y78-L81 PolarHBondContact O-N 3.26Å; Y78-L82 WeakPolarHBondContact O-CB 3.13Å; Y78-L82 WeakPolarHBondContact O-CD1 3.17Å; Y78-L82 WeakPolarHBondContact O-CG 3.3Å; Y78-L82 PolarHBondContact O-N 2.62Å; Y78-E121 WeakPolarHBondContact CE2-OE2 3.41Å; Y78-A123 HydrophobicContact CD2-CB 4.19Å; Y78-A123 HydrophobicContact CE2-CB 4.25Å; Y78-L125 HydrophobicContact CD1-CD1 3.65Å; Y78-L125 HydrophobicContact CD1-CG 4.39Å; Y78-L125 HydrophobicContact CE1-CD1 3.64Å; Y78-A141 HydrophobicContact CE1-CB 3.73Å; Y78-M146 HydrophobicContact CD1-CE 4.05Å; Y78-M146 HydrophobicContact CE1-CE 4.2Å
79	L	90.5	Very high	90.6	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-37.8	-178.3	-74.2	167.8	0	0	0	112.3	V39 V41 I45 L67 G75 S83 W97	V39-L79 HydrophobicContact CG1-CD1 4.41Å; V41-L79 HydrophobicContact CG1-CD2 4.21Å; V41-L79 HydrophobicContact CG2-CD1 4.03Å; V41-L79 HydrophobicContact CG2-CD2 4.07Å; I45-L79 HydrophobicContact CD1-CD2 4.28Å; L67-L79 HydrophobicContact CD2-CD2 3.79Å; L67-L79 HydrophobicContact CD2-CG 3.78Å; G75-L79 WeakPolarHBondContact O-CG 3.37Å; G75-L79 PolarHBondContact O-N 3.31Å; L79-S83 PolarHBondContact O-N 2.69Å; L79-W97 HydrophobicContact CD1-CZ2 4.39Å; L79-W97 HydrophobicContact CD2-CB 4.13Å; L79-W97 HydrophobicContact CD2-CD2 4.1Å; L79-W97 HydrophobicContact CD2-CG 3.81Å
80	K	90.4	Very high	90.3	Very high	159 Å²	159	54.5 Å²	54.5	69%	0.691	29%	0.29	S	S	*	.	H	α-helix	trans	-64.7	-54.9	173	-174.1	178.1	179.2	-178	0	111.1	D76 Y78 L82 S83	D76-K80 PolarHBondContact O-N 3.41Å; D76-K80 VanDerWaalsContact O-N 3.12Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.41Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 3.16Å; K80-S83 WeakPolarHBondContact O-CB 3.38Å; K80-S83 PolarHBondContact O-N 2.77Å
81	L	92.6	Very high	90.1	Very high	36 Å²	36	53.6 Å²	53.6	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-45.6	-179.9	176.5	61.5	0	0	0	112.4	S77 Y78 S83 D84 V85 A141 F143 M146	S77-L81 PolarHBondContact O-N 3.2Å; Y78-L81 PolarHBondContact O-N 3.26Å; L81-S83 VanDerWaalsContact C-N 3.25Å; L81-S83 PolarHBondContact O-N 3.13Å; L81-D84 PolarHBondContact O-N 3.48Å; L81-V85 HydrophobicContact CD1-CG2 4.49Å; L81-V85 HydrophobicContact CG-CG2 4.46Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.64Å; L81-V85 VanDerWaalsContact O-N 3.1Å; L81-A141 VanDerWaalsContact CD2-O 3.27Å; L81-A141 WeakPolarHBondContact CD2-O 3.29Å; L81-F143 HydrophobicContact CD1-CB 3.83Å; L81-M146 HydrophobicContact CD2-CE 3.72Å; L81-M146 HydrophobicContact CD2-SD 3.73Å; L81-M146 HydrophobicContact CG-SD 4.07Å
82	L	94.9	Very high	90.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-24.9	-178.7	-74	168.8	0	0	0	113	I45 L65 L67 Y78 K80 A86 I95 L125 M146	I45-L82 HydrophobicContact CD1-CB 4.01Å; L65-L82 HydrophobicContact CD2-CD2 4.02Å; L67-L82 HydrophobicContact CB-CD1 3.95Å; L67-L82 HydrophobicContact CD2-CD1 3.93Å; L67-L82 HydrophobicContact CG-CD1 4.35Å; Y78-L82 WeakPolarHBondContact O-CB 3.13Å; Y78-L82 WeakPolarHBondContact O-CD1 3.17Å; Y78-L82 WeakPolarHBondContact O-CG 3.3Å; Y78-L82 PolarHBondContact O-N 2.62Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 3.16Å; L82-A86 WeakPolarHBondContact O-CB 3.04Å; L82-A86 PolarHBondContact O-N 3.24Å; L82-I95 HydrophobicContact CB-CD1 4.37Å; L82-I95 HydrophobicContact CB-CG2 4.12Å; L82-I95 HydrophobicContact CD1-CG2 4.27Å; L82-I95 HydrophobicContact CD2-CD1 3.76Å; L82-I95 HydrophobicContact CD2-CG1 4.33Å; L82-I95 HydrophobicContact CD2-CG2 4.07Å; L82-I95 HydrophobicContact CG-CG2 4.39Å; L82-L125 HydrophobicContact CD1-CD2 4.2Å; L82-M146 HydrophobicContact CD2-SD 3.65Å; L82-M146 HydrophobicContact CG-SD 4.35Å
83	S	93.4	Very high	90.5	Very high	26 Å²	26	54.5 Å²	54.5	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-45.2	172.4	-179.3	0	0	0	0	111.3	S42 L79 K80 L81 A86 Q87	S42-S83 WeakPolarHBondContact CB-OG 3.14Å; S42-S83 PolarHBondContact OG-OG 3.36Å; L79-S83 PolarHBondContact O-N 2.69Å; K80-S83 WeakPolarHBondContact O-CB 3.38Å; K80-S83 PolarHBondContact O-N 2.77Å; L81-S83 VanDerWaalsContact C-N 3.25Å; L81-S83 PolarHBondContact O-N 3.13Å; S83-A86 PolarHBondContact O-N 2.86Å; S83-Q87 PolarHBondContact O-N 2.8Å; S83-Q87 VanDerWaalsContact O-N 3.12Å
84	D	93.3	Very high	91	Very high	86 Å²	86	51.3 Å²	51.3	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-69.5	-39.8	-179.9	-57.5	-30.8	0	0	0	110.7	L81 T88 F143	L81-D84 PolarHBondContact O-N 3.48Å; D84-T88 PolarHBondContact O-N 3.25Å; D84-T88 PolarHBondContact O-OG1 2.75Å; D84-F143 HydrophobicContact CB-CD2 4.02Å; D84-F143 HydrophobicContact CB-CE2 3.95Å
85	V	95.4	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-47.6	172.5	178	0	0	0	0	110.5	L81 Q87 T88 V89 I95 F143 M146 V147 L150	L81-V85 HydrophobicContact CD1-CG2 4.49Å; L81-V85 HydrophobicContact CG-CG2 4.46Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.64Å; L81-V85 VanDerWaalsContact O-N 3.1Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.71Å; V85-T88 CarbonylContact O-C 3.47Å; V85-T88 WeakPolarHBondContact O-CA 3.38Å; V85-T88 WeakPolarHBondContact O-CB 3.15Å; V85-T88 PolarHBondContact O-N 3.17Å; V85-V89 HydrophobicContact CG1-CG1 4.19Å; V85-V89 HydrophobicContact CG1-CG2 4.49Å; V85-V89 WeakPolarHBondContact O-CG2 3.39Å; V85-V89 PolarHBondContact O-N 2.94Å; V85-I95 HydrophobicContact CB-CD1 3.96Å; V85-I95 HydrophobicContact CG1-CD1 3.68Å; V85-F143 HydrophobicContact CG2-CD2 3.88Å; V85-M146 HydrophobicContact CG1-CB 3.97Å; V85-M146 HydrophobicContact CG2-CB 3.8Å; V85-M146 HydrophobicContact CG2-SD 4.25Å; V85-V147 HydrophobicContact CB-CG2 4.35Å; V85-V147 HydrophobicContact CG1-CG2 3.93Å; V85-V147 HydrophobicContact CG2-CG2 4.23Å; V85-L150 HydrophobicContact CG1-CD1 3.83Å
86	A	94.5	Very high	92.3	Very high	9 Å²	9	50 Å²	50	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-38.3	-178.3	0	0	0	0	0	112.7	L44 L82 S83 T88 K90 I95	L44-A86 HydrophobicContact CB-CB 3.83Å; L82-A86 WeakPolarHBondContact O-CB 3.04Å; L82-A86 PolarHBondContact O-N 3.24Å; S83-A86 PolarHBondContact O-N 2.86Å; A86-T88 VanDerWaalsContact C-N 3.28Å; A86-T88 PolarHBondContact O-N 2.74Å; A86-K90 PolarHBondContact O-N 2.8Å; A86-I95 HydrophobicContact CB-CB 4.39Å; A86-I95 HydrophobicContact CB-CD1 3.94Å
87	Q	93.4	Very high	92.8	Very high	109 Å²	109	47.5 Å²	47.5	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-36	172.3	-179.7	58	15.9	0	0	112	L44 S83 V85	L44-Q87 HydrophobicContact CD1-CB 3.68Å; L44-Q87 HydrophobicContact CD1-CG 4.44Å; S83-Q87 PolarHBondContact O-N 2.8Å; S83-Q87 VanDerWaalsContact O-N 3.12Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.71Å
88	T	92.8	Very high	93.2	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-82.5	-30.6	-174.7	-55.8	0	0	0	0	113.4	D84 V85 A86 F143 V147	D84-T88 PolarHBondContact O-N 3.25Å; D84-T88 PolarHBondContact O-OG1 2.75Å; V85-T88 CarbonylContact O-C 3.47Å; V85-T88 WeakPolarHBondContact O-CA 3.38Å; V85-T88 WeakPolarHBondContact O-CB 3.15Å; V85-T88 PolarHBondContact O-N 3.17Å; A86-T88 VanDerWaalsContact C-N 3.28Å; A86-T88 PolarHBondContact O-N 2.74Å; T88-F143 HydrophobicContact CG2-CZ 3.93Å; T88-F143 WeakPolarHBondContact OG1-CE2 3.31Å; T88-F143 VanDerWaalsContact OG1-CZ 3.3Å; T88-F143 WeakPolarHBondContact OG1-CZ 3.45Å; T88-V147 HydrophobicContact CG2-CG1 3.97Å; T88-V147 HydrophobicContact CG2-CG2 3.89Å
89	V	93.4	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-99.1	12	177.7	-51.9	0	0	0	0	113.1	V85 G91 Q92 G93 V147 L150	V85-V89 HydrophobicContact CG1-CG1 4.19Å; V85-V89 HydrophobicContact CG1-CG2 4.49Å; V85-V89 WeakPolarHBondContact O-CG2 3.39Å; V85-V89 PolarHBondContact O-N 2.94Å; V89-G91 PolarHBondContact O-N 2.85Å; V89-G91 VanDerWaalsContact O-N 3.09Å; V89-Q92 WeakPolarHBondContact O-CA 3.47Å; V89-Q92 WeakPolarHBondContact O-CB 3.43Å; V89-Q92 PolarHBondContact O-N 2.82Å; V89-G93 PolarHBondContact O-N 3.23Å; V89-V147 HydrophobicContact CG1-CB 4.4Å; V89-V147 HydrophobicContact CG1-CG1 4.24Å; V89-V147 HydrophobicContact CG1-CG2 4.19Å; V89-L150 HydrophobicContact CB-CB 4.36Å; V89-L150 HydrophobicContact CG1-CB 3.92Å; V89-L150 HydrophobicContact CG2-CB 4.38Å; V89-L150 HydrophobicContact CG2-CD1 4.06Å
90	K	90.6	Very high	93.6	Very high	147 Å²	147	42.5 Å²	42.5	64%	0.639	23%	0.233	S	C	*	.	B	Isolated β-bridge	trans	-53.5	114.3	-175.3	-173.8	175.4	-178.3	175.9	0	111.7	A86	A86-K90 PolarHBondContact O-N 2.8Å
91	G	88	Confident	93.6	Very high	80 Å²	80	36.1 Å²	36.1	83%	0.825	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.2	-9.3	-177.8	0	0	0	0	0	115.1	V89	V89-G91 PolarHBondContact O-N 2.85Å; V89-G91 VanDerWaalsContact O-N 3.09Å
92	Q	89.8	Confident	93.4	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-39	173.7	-65.6	167.2	23.3	0	0	110.8	N63 V89 K151	N63-Q92 PolarHBondContact ND2-O 3.12Å; V89-Q92 WeakPolarHBondContact O-CA 3.47Å; V89-Q92 WeakPolarHBondContact O-CB 3.43Å; V89-Q92 PolarHBondContact O-N 2.82Å; Q92-K151 VanDerWaalsContact OE1-CE 3.24Å
93	G	93.1	Very high	93.1	Very high	9 Å²	9	40.1 Å²	40.1	9%	0.093	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-136.3	170.5	171.3	0	0	0	0	0	112.3	V89	V89-G93 PolarHBondContact O-N 3.23Å
94	T	96	Very high	92.9	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.4	171.8	-54	0	0	0	0	109.3	D46 L57 R61 N63 V64 L65	D46-T94 WeakPolarHBondContact OD2-CG2 3.25Å; L57-T94 HydrophobicContact CD1-CG2 4.14Å; R61-T94 VanDerWaalsContact CD-OG1 3.3Å; R61-T94 WeakPolarHBondContact CD-OG1 3.11Å; R61-T94 HydrophobicContact CG-CG2 4.24Å; R61-T94 PolarHBondContact NE-OG1 3.48Å; N63-T94 PolarHBondContact O-N 3.38Å; V64-T94 WeakPolarHBondContact CA-O 3.28Å; L65-T94 PolarHBondContact N-O 3.09Å
95	I	97.1	Very high	92.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.3	172.2	-69.2	164.4	0	0	0	109.1	I45 D46 L65 L82 V85 A86 L150	I45-I95 WeakPolarHBondContact CA-O 3.21Å; I45-I95 HydrophobicContact CG1-CG2 4.15Å; I45-I95 HydrophobicContact CG2-CG2 4.3Å; D46-I95 PolarHBondContact N-O 2.97Å; L65-I95 HydrophobicContact CB-CG1 4.33Å; L65-I95 WeakPolarHBondContact O-CA 3.38Å; L82-I95 HydrophobicContact CB-CD1 4.37Å; L82-I95 HydrophobicContact CB-CG2 4.12Å; L82-I95 HydrophobicContact CD1-CG2 4.27Å; L82-I95 HydrophobicContact CD2-CD1 3.76Å; L82-I95 HydrophobicContact CD2-CG1 4.33Å; L82-I95 HydrophobicContact CD2-CG2 4.07Å; L82-I95 HydrophobicContact CG-CG2 4.39Å; V85-I95 HydrophobicContact CB-CD1 3.96Å; V85-I95 HydrophobicContact CG1-CD1 3.68Å; A86-I95 HydrophobicContact CB-CB 4.39Å; A86-I95 HydrophobicContact CB-CD1 3.94Å; I95-L150 HydrophobicContact CD1-CD1 3.79Å; I95-L150 HydrophobicContact CG1-CD1 3.86Å
96	A	96.6	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160.3	179.6	0	0	0	0	0	111.7	D46 L57 V64 L65 V66 L67	D46-A96 HydrophobicContact CB-CB 4.09Å; D46-A96 CarbonylContact O-C 3.57Å; D46-A96 WeakPolarHBondContact O-CA 3.27Å; D46-A96 VanDerWaalsContact O-CB 3.26Å; D46-A96 WeakPolarHBondContact O-CB 3.42Å; L57-A96 HydrophobicContact CD2-CB 3.6Å; V64-A96 HydrophobicContact CG1-CB 4.39Å; L65-A96 PolarHBondContact O-N 2.97Å; V66-A96 WeakPolarHBondContact CA-O 3.27Å; V66-A96 HydrophobicContact CG1-CB 4.44Å; V66-A96 HydrophobicContact CG2-CB 4.29Å; L67-A96 PolarHBondContact N-O 2.93Å
97	W	96.4	Very high	92.5	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.038	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.6	179.2	172.4	58	0	0	0	112.8	V41 I45 D46 K47 V48 L67 T69 L79 N99	V41-W97 HydrophobicContact CB-CE3 4.4Å; V41-W97 HydrophobicContact CB-CZ3 4.45Å; V41-W97 HydrophobicContact CG1-CE3 4.3Å; V41-W97 HydrophobicContact CG2-CD2 4.4Å; V41-W97 HydrophobicContact CG2-CE3 3.71Å; V41-W97 HydrophobicContact CG2-CH2 4.14Å; V41-W97 HydrophobicContact CG2-CZ3 3.56Å; I45-W97 HydrophobicContact CG2-CB 3.72Å; D46-W97 PolarHBondContact O-N 2.83Å; K47-W97 HydrophobicContact CB-CE3 4.34Å; K47-W97 HydrophobicContact CD-CE3 3.99Å; K47-W97 HydrophobicContact CD-CZ3 3.78Å; K47-W97 HydrophobicContact CG-CE3 3.82Å; K47-W97 HydrophobicContact CG-CZ3 4.14Å; V48-W97 PolarHBondContact N-O 3.1Å; L67-W97 CarbonylContact O-C 3.58Å; L67-W97 WeakPolarHBondContact O-CA 3.43Å; T69-W97 PolarHBondContact OG1-NE1 3.19Å; L79-W97 HydrophobicContact CD1-CZ2 4.39Å; L79-W97 HydrophobicContact CD2-CB 4.13Å; L79-W97 HydrophobicContact CD2-CD2 4.1Å; L79-W97 HydrophobicContact CD2-CG 3.81Å; W97-N99 HydrophobicContact CH2-CB 4.25Å; W97-N99 HydrophobicContact CZ2-CB 3.84Å
98	V	95.4	Very high	92.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.7	178	-178.2	0	0	0	0	109.9	V48 V66 L67 Y68 T69 C100 L108	V48-V98 HydrophobicContact CB-CG2 4.23Å; V66-V98 HydrophobicContact CG1-CG2 3.86Å; L67-V98 PolarHBondContact O-N 3.22Å; Y68-V98 WeakPolarHBondContact CA-O 3.48Å; Y68-V98 HydrophobicContact CD1-CB 3.61Å; Y68-V98 HydrophobicContact CD1-CG1 3.85Å; Y68-V98 HydrophobicContact CD1-CG2 4.14Å; Y68-V98 HydrophobicContact CE1-CB 3.76Å; Y68-V98 HydrophobicContact CE1-CG1 3.94Å; Y68-V98 HydrophobicContact CE1-CG2 3.78Å; Y68-V98 HydrophobicContact CG-CB 4.42Å; T69-V98 PolarHBondContact N-O 3.32Å; V98-C100 PolarHBondContact O-N 2.83Å; V98-L108 HydrophobicContact CG1-CD2 3.81Å; V98-L108 HydrophobicContact CG1-CG 4.27Å; V98-L108 HydrophobicContact CG2-CD2 4Å
99	N	94.6	Very high	92.6	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	98.3	172.2	171.6	37.9	0	0	0	110.4	T71 A72 W97 G101 D102 G105	T71-N99 WeakPolarHBondContact CA-OD1 3.22Å; T71-N99 PolarHBondContact O-OD1 3.31Å; A72-N99 PolarHBondContact N-OD1 2.86Å; W97-N99 HydrophobicContact CH2-CB 4.25Å; W97-N99 HydrophobicContact CZ2-CB 3.84Å; N99-G101 PolarHBondContact O-N 2.77Å; N99-G101 VanDerWaalsContact O-N 3.09Å; N99-G101 PolarHBondContact OD1-N 2.87Å; N99-G101 VanDerWaalsContact OD1-N 3.16Å; N99-D102 WeakPolarHBondContact ND2-CB 3.16Å; N99-D102 PolarHBondContact ND2-N 3.35Å; N99-D102 PolarHBondContact ND2-OD2 2.63Å; N99-G105 WeakPolarHBondContact O-CA 3.13Å
100	C	93.9	Very high	92.6	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.088	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.5	176.3	-56.8	0	0	0	0	113.6	T69 V98 R106 C109 P116	T69-C100 WeakPolarHBondContact O-CB 3.49Å; T69-C100 PolarHBondContact O-N 2.87Å; V98-C100 PolarHBondContact O-N 2.83Å; C100-R106 WeakPolarHBondContact O-CA 3.32Å; C100-R106 WeakPolarHBondContact O-CB 3.45Å; C100-C109 WeakPolarHBondContact CA-SG 3.12Å; C100-C109 HydrophobicContact CB-CB 3.82Å; C100-C109 WeakPolarHBondContact CB-SG 3.49Å; C100-C109 WeakPolarHBondContact SG-CB 3.43Å; C100-C109 CovalentContact SG-SG 2.04Å; C100-C109 PolarHBondContact SG-SG 2.89Å; C100-P116 HydrophobicContact CB-CG 4.02Å; C100-P116 VanDerWaalsContact SG-CD 3.59Å
101	G	89.6	Confident	92.7	Very high	25 Å²	25	49.1 Å²	49.1	26%	0.258	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.3	179.1	0	0	0	0	0	114.8	K70 N99 R106	K70-G101 WeakPolarHBondContact O-CA 3.47Å; K70-G101 PolarHBondContact O-N 3.18Å; N99-G101 PolarHBondContact O-N 2.77Å; N99-G101 VanDerWaalsContact O-N 3.09Å; N99-G101 PolarHBondContact OD1-N 2.87Å; N99-G101 VanDerWaalsContact OD1-N 3.16Å; G101-R106 PolarHBondContact O-NH2 2.86Å
102	D	89.6	Confident	92.9	Very high	48 Å²	48	47 Å²	47	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	-83.1	171.9	-178.4	69.3	55.9	0	0	0	113.8	N99 E104 G105 R106	N99-D102 WeakPolarHBondContact ND2-CB 3.16Å; N99-D102 PolarHBondContact ND2-N 3.35Å; N99-D102 PolarHBondContact ND2-OD2 2.63Å; D102-E104 VanDerWaalsContact C-N 3.35Å; D102-E104 PolarHBondContact O-N 2.88Å; D102-E104 PolarHBondContact OD1-N 2.69Å; D102-G105 PolarHBondContact OD1-N 3.11Å; D102-R106 WeakPolarHBondContact O-CB 3.48Å; D102-R106 PolarHBondContact O-N 2.84Å
103	S	88.6	Confident	93	Very high	73 Å²	73	51.2 Å²	51.2	51%	0.51	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-33.4	-169.3	65.5	0	0	0	0	113.9	K107	S103-K107 WeakPolarHBondContact O-CD 3.34Å; S103-K107 WeakPolarHBondContact O-CE 3.39Å; S103-K107 WeakPolarHBondContact O-CG 3.17Å
104	E	89.1	Confident	93	Very high	74 Å²	74	51.5 Å²	51.5	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-91.9	-42.8	-177.1	-55.1	-42.3	110.8	0	0	110.9	S49 D102 R106 K107 L108	S49-E104 CarbonylContact O-C 3.54Å; S49-E104 VanDerWaalsContact O-CB 3.26Å; S49-E104 WeakPolarHBondContact O-CB 3.39Å; D102-E104 VanDerWaalsContact C-N 3.35Å; D102-E104 PolarHBondContact O-N 2.88Å; D102-E104 PolarHBondContact OD1-N 2.69Å; E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 3.37Å; E104-K107 CarbonylContact O-C 3.52Å; E104-K107 WeakPolarHBondContact O-CA 3.45Å; E104-K107 WeakPolarHBondContact O-CB 3.26Å; E104-K107 PolarHBondContact O-N 3.23Å; E104-K107 WeakPolarHBondContact OE1-CE 3.45Å; E104-K107 IonicContact OE1-NZ 2.73Å; E104-K107 PolarHBondContact OE1-NZ 3.29Å; E104-K107 WeakPolarHBondContact OE2-CD 3.43Å; E104-K107 WeakPolarHBondContact OE2-CE 3.34Å; E104-K107 IonicContact OE2-NZ 3.13Å; E104-K107 PolarHBondContact OE2-NZ 2.85Å; E104-L108 PolarHBondContact O-N 2.97Å
105	G	89.6	Confident	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-39.3	172.5	0	0	0	0	0	111.8	S49 N99 D102 K107 L108 C109	S49-G105 PolarHBondContact O-N 2.95Å; N99-G105 WeakPolarHBondContact O-CA 3.13Å; D102-G105 PolarHBondContact OD1-N 3.11Å; G105-K107 VanDerWaalsContact C-N 3.33Å; G105-K107 PolarHBondContact O-N 3.17Å; G105-L108 CarbonylContact O-C 3.53Å; G105-L108 WeakPolarHBondContact O-CB 3.39Å; G105-L108 PolarHBondContact O-N 3.22Å; G105-L108 VanDerWaalsContact O-N 3.11Å; G105-C109 PolarHBondContact O-N 3.39Å; G105-C109 PolarHBondContact O-SG 2.85Å
106	R	91.9	Very high	92.6	Very high	140 Å²	140	54.5 Å²	54.5	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-33.9	173.4	-162.6	-175.8	-52.4	166.6	5.2	113.3	C100 G101 D102 E104 K110	C100-R106 WeakPolarHBondContact O-CA 3.32Å; C100-R106 WeakPolarHBondContact O-CB 3.45Å; G101-R106 PolarHBondContact O-NH2 2.86Å; D102-R106 WeakPolarHBondContact O-CB 3.48Å; D102-R106 PolarHBondContact O-N 2.84Å; E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 3.37Å; R106-K110 WeakPolarHBondContact O-CB 3.33Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.96Å
107	K	93.6	Very high	92.2	Very high	109 Å²	109	57.2 Å²	57.2	47%	0.474	28%	0.282	S	S	.	.	H	α-helix	trans	-71.3	-36.8	172.5	-64.9	165.5	-164.7	168.8	0	111	S103 E104 G105 K111	S103-K107 WeakPolarHBondContact O-CD 3.34Å; S103-K107 WeakPolarHBondContact O-CE 3.39Å; S103-K107 WeakPolarHBondContact O-CG 3.17Å; E104-K107 CarbonylContact O-C 3.52Å; E104-K107 WeakPolarHBondContact O-CA 3.45Å; E104-K107 WeakPolarHBondContact O-CB 3.26Å; E104-K107 PolarHBondContact O-N 3.23Å; E104-K107 WeakPolarHBondContact OE1-CE 3.45Å; E104-K107 IonicContact OE1-NZ 2.73Å; E104-K107 PolarHBondContact OE1-NZ 3.29Å; E104-K107 WeakPolarHBondContact OE2-CD 3.43Å; E104-K107 WeakPolarHBondContact OE2-CE 3.34Å; E104-K107 IonicContact OE2-NZ 3.13Å; E104-K107 PolarHBondContact OE2-NZ 2.85Å; G105-K107 VanDerWaalsContact C-N 3.33Å; G105-K107 PolarHBondContact O-N 3.17Å; K107-K111 VanDerWaalsContact O-CG 3.32Å; K107-K111 WeakPolarHBondContact O-CG 3.07Å; K107-K111 PolarHBondContact O-N 2.88Å
108	L	93.6	Very high	91.7	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-55.1	175.1	174.6	53.8	0	0	0	111	V48 H51 F54 V98 E104 G105 K110 K111 V112	V48-L108 HydrophobicContact CG1-CD2 3.96Å; H51-L108 HydrophobicContact CB-CD1 4.14Å; F54-L108 HydrophobicContact CB-CD1 3.89Å; F54-L108 HydrophobicContact CB-CD2 4.13Å; F54-L108 HydrophobicContact CD1-CD1 4.14Å; F54-L108 HydrophobicContact CD2-CD2 4.34Å; F54-L108 HydrophobicContact CG-CD1 3.95Å; F54-L108 HydrophobicContact CG-CD2 4.35Å; V98-L108 HydrophobicContact CG1-CD2 3.81Å; V98-L108 HydrophobicContact CG1-CG 4.27Å; V98-L108 HydrophobicContact CG2-CD2 4Å; E104-L108 PolarHBondContact O-N 2.97Å; G105-L108 CarbonylContact O-C 3.53Å; G105-L108 WeakPolarHBondContact O-CB 3.39Å; G105-L108 PolarHBondContact O-N 3.22Å; G105-L108 VanDerWaalsContact O-N 3.11Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.42Å; L108-K111 WeakPolarHBondContact O-CA 3.5Å; L108-K111 WeakPolarHBondContact O-CB 3.33Å; L108-K111 PolarHBondContact O-N 2.8Å; L108-V112 HydrophobicContact CD1-CG1 4.13Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 3.09Å
109	C	93.9	Very high	91.3	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-41	-178.7	-55.8	0	0	0	0	111.9	C100 G105 K111 V112 K113 V114	C100-C109 WeakPolarHBondContact CA-SG 3.12Å; C100-C109 HydrophobicContact CB-CB 3.82Å; C100-C109 WeakPolarHBondContact CB-SG 3.49Å; C100-C109 WeakPolarHBondContact SG-CB 3.43Å; C100-C109 CovalentContact SG-SG 2.04Å; C100-C109 PolarHBondContact SG-SG 2.89Å; G105-C109 PolarHBondContact O-N 3.39Å; G105-C109 PolarHBondContact O-SG 2.85Å; C109-K111 VanDerWaalsContact C-N 3.35Å; C109-K111 PolarHBondContact O-N 2.78Å; C109-V112 CarbonylContact O-C 3.59Å; C109-V112 PolarHBondContact O-N 3.46Å; C109-K113 PolarHBondContact O-N 2.88Å; C109-V114 WeakPolarHBondContact CB-O 3.07Å; C109-V114 PolarHBondContact O-N 2.8Å
110	K	93.1	Very high	90.4	Very high	164 Å²	164	74.3 Å²	74.3	71%	0.713	36%	0.361	S	S	*	.	H	α-helix	trans	-59.9	-38.1	170.6	-77.5	-174.4	175.2	-166.6	0	113.7	R106 L108 K113	R106-K110 WeakPolarHBondContact O-CB 3.33Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.96Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.42Å; K110-K113 PolarHBondContact O-N 2.85Å
111	K	92.6	Very high	89.9	Confident	135 Å²	135	80.1 Å²	80.1	59%	0.587	39%	0.387	S	S	*	.	H	α-helix	trans	-72.5	-32	177.4	-76.9	174.3	-179.8	177.6	0	113.3	H51 K107 L108 C109	H51-K111 HydrophobicContact CB-CD 4.05Å; K107-K111 VanDerWaalsContact O-CG 3.32Å; K107-K111 WeakPolarHBondContact O-CG 3.07Å; K107-K111 PolarHBondContact O-N 2.88Å; L108-K111 WeakPolarHBondContact O-CA 3.5Å; L108-K111 WeakPolarHBondContact O-CB 3.33Å; L108-K111 PolarHBondContact O-N 2.8Å; C109-K111 VanDerWaalsContact C-N 3.35Å; C109-K111 PolarHBondContact O-N 2.78Å
112	V	91.8	Very high	89.9	Confident	36 Å²	36	79.3 Å²	79.3	22%	0.218	38%	0.378	C	S	.	.	H	α-helix	trans	-90.6	-0.6	175.3	-64	0	0	0	0	113.7	F54 Y68 L108 C109 V114	F54-V112 HydrophobicContact CD1-CG1 4.14Å; F54-V112 HydrophobicContact CE1-CG1 3.74Å; F54-V112 HydrophobicContact CZ-CG1 4.4Å; Y68-V112 HydrophobicContact CE1-CG2 3.98Å; L108-V112 HydrophobicContact CD1-CG1 4.13Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 3.09Å; C109-V112 CarbonylContact O-C 3.59Å; C109-V112 PolarHBondContact O-N 3.46Å; V112-V114 HydrophobicContact CB-CG2 4.18Å; V112-V114 HydrophobicContact CG2-CB 4.07Å; V112-V114 HydrophobicContact CG2-CG2 3.56Å
113	K	93.7	Very high	90	Very high	199 Å²	199	77.5 Å²	77.5	87%	0.865	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	36.5	-178.1	-53.4	-174.9	179.7	-177.8	0	114.6	C109 K110	C109-K113 PolarHBondContact O-N 2.88Å; K110-K113 PolarHBondContact O-N 2.85Å
114	V	92.9	Very high	90.3	Very high	15 Å²	15	75 Å²	75	9%	0.091	35%	0.35	C	S	.	.			trans	-106.3	133.2	179.2	-174.4	0	0	0	0	109.4	Y68 C109 V112 E124 L126	Y68-V114 HydrophobicContact CD1-CB 4.33Å; Y68-V114 HydrophobicContact CD1-CG1 4.02Å; Y68-V114 HydrophobicContact CD2-CG1 4.01Å; Y68-V114 HydrophobicContact CE1-CG2 4.45Å; Y68-V114 HydrophobicContact CE2-CG2 4.43Å; Y68-V114 HydrophobicContact CG-CB 4.48Å; Y68-V114 HydrophobicContact CG-CG1 3.72Å; C109-V114 WeakPolarHBondContact CB-O 3.07Å; C109-V114 PolarHBondContact O-N 2.8Å; V112-V114 HydrophobicContact CB-CG2 4.18Å; V112-V114 HydrophobicContact CG2-CB 4.07Å; V112-V114 HydrophobicContact CG2-CG2 3.56Å; V114-E124 VanDerWaalsContact CG1-OE2 3.31Å; V114-E124 WeakPolarHBondContact CG1-OE2 3.34Å; V114-L126 HydrophobicContact CB-CD1 4.42Å; V114-L126 HydrophobicContact CG1-CD1 4.03Å; V114-L126 HydrophobicContact CG2-CD1 3.42Å; V114-L126 VanDerWaalsContact CG2-CD1 3.42Å
115	D	92.1	Very high	90.5	Very high	82 Å²	82	72 Å²	72	44%	0.439	34%	0.337	S	S	.	.			trans	-134.6	92.2	170.8	-178.8	23	0	0	0	111.1	S117 S118	D115-S117 PolarHBondContact O-N 3.23Å; D115-S117 WeakPolarHBondContact OD1-CB 3.08Å; D115-S117 PolarHBondContact OD1-N 3.27Å; D115-S117 PolarHBondContact OD1-OG 3.38Å; D115-S118 PolarHBondContact O-N 2.7Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact O-OG 3.12Å
116	P	90.9	Very high	90.9	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.2	-8.6	178.3	31.3	-36.4	0	0	0	112.1	K70 C100 S118 K119 G122 E124	K70-P116 HydrophobicContact CB-CG 4.47Å; C100-P116 HydrophobicContact CB-CG 4.02Å; C100-P116 VanDerWaalsContact SG-CD 3.59Å; P116-S118 PolarHBondContact O-N 3.45Å; P116-K119 PolarHBondContact O-N 2.63Å; P116-G122 CarbonylContact O-C 3.43Å; P116-G122 VanDerWaalsContact O-CA 3.29Å; P116-G122 WeakPolarHBondContact O-CA 3.33Å; P116-E124 HydrophobicContact CB-CB 4.12Å
117	S	88.4	Confident	91.2	Very high	56 Å²	56	65.8 Å²	65.8	39%	0.392	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22.1	172.1	-41.5	0	0	0	0	113.4	D115	D115-S117 PolarHBondContact O-N 3.23Å; D115-S117 WeakPolarHBondContact OD1-CB 3.08Å; D115-S117 PolarHBondContact OD1-N 3.27Å; D115-S117 PolarHBondContact OD1-OG 3.38Å
118	S	86	Confident	91.3	Very high	88 Å²	88	61.3 Å²	61.3	62%	0.615	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-87.6	-15.1	178.7	69.6	0	0	0	0	113.8	D115 P116	D115-S118 PolarHBondContact O-N 2.7Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact O-OG 3.12Å; P116-S118 PolarHBondContact O-N 3.45Å
119	K	87.3	Confident	91.4	Very high	68 Å²	68	64.4 Å²	64.4	30%	0.296	31%	0.307	S	S	.	.	S	Bend	trans	-98.7	161.2	-173.9	-57.8	-88.7	170.8	131.9	0	110.2	P116 G122 A123 E124 E136	P116-K119 PolarHBondContact O-N 2.63Å; K119-G122 PolarHBondContact O-N 3.08Å; K119-A123 WeakPolarHBondContact CB-O 3.39Å; K119-E124 HydrophobicContact CD-CG 4.21Å; K119-E124 WeakPolarHBondContact CE-OE1 3.32Å; K119-E124 HydrophobicContact CG-CB 4.13Å; K119-E124 HydrophobicContact CG-CG 4.09Å; K119-E124 IonicContact NZ-OE1 3.83Å; K119-E124 PolarHBondContact NZ-OE1 2.92Å; K119-E136 IonicContact NZ-OE1 2.85Å; K119-E136 PolarHBondContact NZ-OE1 3.39Å; K119-E136 VanDerWaalsContact NZ-OE1 3.07Å; K119-E136 IonicContact NZ-OE2 2.69Å; K119-E136 PolarHBondContact NZ-OE2 2.84Å
120	R	76.6	Confident	91.3	Very high	231 Å²	231	69.4 Å²	69.4	87%	0.872	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-59.8	148.6	178.7	-75.8	-174.8	175.1	-179.5	-0.8	110.8	G122 A123	R120-G122 PolarHBondContact O-N 3.5Å; R120-A123 PolarHBondContact O-N 3.02Å
121	E	82.3	Confident	91.3	Very high	135 Å²	135	63.2 Å²	63.2	63%	0.631	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	61.3	-8.3	-177.9	-58.5	178	179.1	0	0	115.6	Y78	Y78-E121 WeakPolarHBondContact CE2-OE2 3.41Å
122	G	89.8	Confident	91.3	Very high	8 Å²	8	61.2 Å²	61.2	8%	0.082	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	82.4	25.9	-171.4	0	0	0	0	0	113	K70 S74 P116 K119 R120	K70-G122 WeakPolarHBondContact CB-O 3.36Å; K70-G122 PolarHBondContact N-O 3.44Å; S74-G122 WeakPolarHBondContact CB-O 3.5Å; P116-G122 CarbonylContact O-C 3.43Å; P116-G122 VanDerWaalsContact O-CA 3.29Å; P116-G122 WeakPolarHBondContact O-CA 3.33Å; K119-G122 PolarHBondContact O-N 3.08Å; R120-G122 PolarHBondContact O-N 3.5Å
123	A	92.2	Very high	91.4	Very high	9 Å²	9	64.8 Å²	64.8	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.1	-178.6	0	0	0	0	0	112.7	L67 Y68 T69 S74 Y78 K119 R120	L67-A123 HydrophobicContact CD1-CB 4.28Å; Y68-A123 CarbonylContact O-C 3.39Å; Y68-A123 WeakPolarHBondContact O-CA 3.4Å; T69-A123 HydrophobicContact CG2-CB 4.37Å; S74-A123 WeakPolarHBondContact O-CB 3.48Å; Y78-A123 HydrophobicContact CD2-CB 4.19Å; Y78-A123 HydrophobicContact CE2-CB 4.25Å; K119-A123 WeakPolarHBondContact CB-O 3.39Å; R120-A123 PolarHBondContact O-N 3.02Å
124	E	93.9	Very high	91.4	Very high	20 Å²	20	58.5 Å²	58.5	9%	0.093	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.8	-179.1	-170.8	170	-174.7	0	0	110.7	Y68 V114 P116 K119 L126	Y68-E124 PolarHBondContact N-O 2.83Å; Y68-E124 PolarHBondContact O-N 3.2Å; V114-E124 VanDerWaalsContact CG1-OE2 3.31Å; V114-E124 WeakPolarHBondContact CG1-OE2 3.34Å; P116-E124 HydrophobicContact CB-CB 4.12Å; K119-E124 HydrophobicContact CD-CG 4.21Å; K119-E124 WeakPolarHBondContact CE-OE1 3.32Å; K119-E124 HydrophobicContact CG-CB 4.13Å; K119-E124 HydrophobicContact CG-CG 4.09Å; K119-E124 IonicContact NZ-OE1 3.83Å; K119-E124 PolarHBondContact NZ-OE1 2.92Å; E124-L126 HydrophobicContact CG-CD2 3.98Å; E124-L126 HydrophobicContact CG-CG 4.2Å
125	L	95.3	Very high	91.5	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.4	179	-83.2	170.3	0	0	0	110.3	L65 L67 Y78 L82 Y137 M146	L65-L125 HydrophobicContact CD1-CB 4.25Å; L65-L125 HydrophobicContact CD1-CD2 4.04Å; L65-L125 HydrophobicContact CD2-CD2 4.18Å; L65-L125 HydrophobicContact CG-CD2 3.92Å; L67-L125 HydrophobicContact CB-CD2 3.86Å; L67-L125 HydrophobicContact CD1-CD2 3.77Å; L67-L125 HydrophobicContact CD1-CG 3.85Å; L67-L125 HydrophobicContact CG-CD2 4.44Å; Y78-L125 HydrophobicContact CD1-CD1 3.65Å; Y78-L125 HydrophobicContact CD1-CG 4.39Å; Y78-L125 HydrophobicContact CE1-CD1 3.64Å; L82-L125 HydrophobicContact CD1-CD2 4.2Å; L125-Y137 HydrophobicContact CB-CD1 4.43Å; L125-Y137 HydrophobicContact CB-CG 4.36Å; L125-Y137 HydrophobicContact CD1-CD1 3.9Å; L125-Y137 HydrophobicContact CD1-CE1 4.46Å; L125-Y137 HydrophobicContact CD1-CG 4.38Å; L125-Y137 PolarHBondContact O-N 3.25Å; L125-M146 HydrophobicContact CD1-CE 3.66Å
126	L	96.8	Very high	91.6	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133	-179.6	-57.1	-176.6	0	0	0	110.6	V66 Y68 V114 E124 Y128 F133 E136	V66-L126 PolarHBondContact N-O 2.88Å; V66-L126 PolarHBondContact O-N 2.85Å; Y68-L126 HydrophobicContact CD2-CB 4.42Å; Y68-L126 HydrophobicContact CD2-CD1 4Å; Y68-L126 HydrophobicContact CD2-CG 4.11Å; Y68-L126 HydrophobicContact CE2-CB 4.07Å; Y68-L126 HydrophobicContact CE2-CD1 3.76Å; Y68-L126 HydrophobicContact CE2-CG 4.09Å; V114-L126 HydrophobicContact CB-CD1 4.42Å; V114-L126 HydrophobicContact CG1-CD1 4.03Å; V114-L126 HydrophobicContact CG2-CD1 3.42Å; V114-L126 VanDerWaalsContact CG2-CD1 3.42Å; E124-L126 HydrophobicContact CG-CD2 3.98Å; E124-L126 HydrophobicContact CG-CG 4.2Å; L126-Y128 HydrophobicContact CB-CE2 3.8Å; L126-F133 HydrophobicContact CB-CE2 4.2Å; L126-F133 HydrophobicContact CD2-CE2 4.1Å; L126-E136 HydrophobicContact CD2-CB 4.12Å; L126-E136 HydrophobicContact CD2-CG 3.72Å
127	H	97.4	Very high	91.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.1	177.6	-173.3	-94.7	0	0	0	111.6	V64 L65 K129 H134 T135 F149	V64-H127 WeakPolarHBondContact O-CA 3.31Å; V64-H127 PolarHBondContact O-CD2 3.12Å; L65-H127 HydrophobicContact CD1-CB 4.39Å; H127-K129 WeakPolarHBondContact NE2-CB 3.3Å; H127-K129 VanDerWaalsContact NE2-CG 3.35Å; H127-K129 WeakPolarHBondContact NE2-CG 3.49Å; H127-H134 WeakPolarHBondContact CE1-CB 3.45Å; H127-H134 AromaticContact CE1-CD2 3.83Å; H127-H134 AromaticContact CE1-CE1 3.67Å; H127-H134 AromaticContact CE1-CG 2.64Å; H127-H134 AromaticContact CE1-ND1 2.51Å; H127-H134 PolarHBondContact CE1-ND1 3.05Å; H127-H134 WeakPolarHBondContact ND1-CB 3.45Å; H127-H134 AromaticContact ND1-CG 3.59Å; H127-H134 AromaticContact ND1-ND1 3.24Å; H127-H134 PolarHBondContact ND1-ND1 3.12Å; H127-H134 WeakPolarHBondContact O-CB 3.47Å; H127-H134 PolarHBondContact O-N 3.41Å; H127-T135 HydrophobicContact CB-CG2 4Å; H127-T135 PolarHBondContact N-O 2.88Å; H127-T135 PolarHBondContact O-N 2.04Å; H127-F149 HydrophobicContact CB-CE1 3.83Å; H127-F149 HydrophobicContact CB-CZ 3.67Å; H127-F149 AromaticContact CD2-CE1 3.52Å; H127-F149 AromaticContact CD2-CZ 3.87Å; H127-F149 AromaticContact CG-CE1 3.69Å; H127-F149 AromaticContact CG-CZ 3.59Å
128	Y	96.6	Very high	91.7	Very high	16 Å²	16	65.4 Å²	65.4	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.5	175.9	-61.5	-96.1	0	0	0	109.4	F54 L58 V64 V66 Y68 L126 T132 F133	F54-Y128 HydrophobicContact CZ-CE1 4.2Å; F54-Y128 HydrophobicContact CZ-CE2 4.06Å; F54-Y128 AromaticContact CZ-CZ 3.88Å; L58-Y128 HydrophobicContact CD1-CD1 3.69Å; L58-Y128 HydrophobicContact CD1-CE1 4.22Å; L58-Y128 HydrophobicContact CD1-CG 4.07Å; L58-Y128 HydrophobicContact CD2-CD1 4.29Å; L58-Y128 HydrophobicContact CD2-CD2 4.34Å; L58-Y128 HydrophobicContact CD2-CG 3.8Å; V64-Y128 PolarHBondContact N-O 2.97Å; V64-Y128 PolarHBondContact O-N 2.95Å; V66-Y128 HydrophobicContact CB-CD2 4.38Å; V66-Y128 HydrophobicContact CB-CE2 4.11Å; V66-Y128 HydrophobicContact CG2-CD2 3.62Å; V66-Y128 HydrophobicContact CG2-CE2 3.74Å; Y68-Y128 HydrophobicContact CE2-CE2 4.33Å; Y68-Y128 PolarHBondContact OH-OH 3.23Å; L126-Y128 HydrophobicContact CB-CE2 3.8Å; Y128-T132 CarbonylContact C-O 3.57Å; Y128-T132 WeakPolarHBondContact CA-O 3.39Å; Y128-T132 VanDerWaalsContact CB-O 3.3Å; Y128-T132 WeakPolarHBondContact CB-O 3.31Å; Y128-F133 HydrophobicContact CD1-CB 4.07Å; Y128-F133 HydrophobicContact CE1-CB 3.91Å; Y128-F133 HydrophobicContact CE1-CD2 4.12Å
129	K	94.9	Very high	91.9	Very high	66 Å²	66	62.9 Å²	62.9	29%	0.287	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	-178.5	-160.5	-175.8	178.3	-177.7	0	108.7	T62 H127 G131 T132 H134 S154	T62-K129 CarbonylContact O-C 3.56Å; T62-K129 VanDerWaalsContact O-CA 3.27Å; T62-K129 WeakPolarHBondContact O-CA 3.37Å; H127-K129 WeakPolarHBondContact NE2-CB 3.3Å; H127-K129 VanDerWaalsContact NE2-CG 3.35Å; H127-K129 WeakPolarHBondContact NE2-CG 3.49Å; K129-G131 PolarHBondContact O-N 3.28Å; K129-T132 PolarHBondContact N-O 2.87Å; K129-T132 PolarHBondContact O-N 2.74Å; K129-T132 PolarHBondContact O-OG1 3.31Å; K129-T132 VanDerWaalsContact O-OG1 3.11Å; K129-H134 HydrophobicContact CB-CB 3.78Å; K129-S154 PolarHBondContact NZ-OG 2.84Å
130	D	93.5	Very high	92.1	Very high	108 Å²	108	62.8 Å²	62.8	58%	0.578	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	35.1	176.8	-56.1	-50.3	0	0	0	114.6	T62	T62-D130 VanDerWaalsContact CB-OD1 3.3Å; T62-D130 WeakPolarHBondContact CB-OD1 3.39Å; T62-D130 WeakPolarHBondContact CG2-OD1 3.07Å; T62-D130 PolarHBondContact O-N 2.89Å
131	G	91.4	Very high	92.7	Very high	34 Å²	34	54.1 Å²	54.1	35%	0.351	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-0.8	179.5	0	0	0	0	0	116.5	L58 K129	L58-G131 WeakPolarHBondContact O-CA 3.37Å; K129-G131 PolarHBondContact O-N 3.28Å
132	T	92.8	Very high	93.2	Very high	93 Å²	93	50.8 Å²	50.8	57%	0.571	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	165.5	177.2	63.3	0	0	0	0	111.8	Y128 K129	Y128-T132 CarbonylContact C-O 3.57Å; Y128-T132 WeakPolarHBondContact CA-O 3.39Å; Y128-T132 VanDerWaalsContact CB-O 3.3Å; Y128-T132 WeakPolarHBondContact CB-O 3.31Å; K129-T132 PolarHBondContact N-O 2.87Å; K129-T132 PolarHBondContact O-N 2.74Å; K129-T132 PolarHBondContact O-OG1 3.31Å; K129-T132 VanDerWaalsContact O-OG1 3.11Å
133	F	94.6	Very high	93.3	Very high	111 Å²	111	54.7 Å²	54.7	49%	0.487	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.8	170	172.6	-103.8	0	0	0	110	L126 Y128 T135 E136	L126-F133 HydrophobicContact CB-CE2 4.2Å; L126-F133 HydrophobicContact CD2-CE2 4.1Å; Y128-F133 HydrophobicContact CD1-CB 4.07Å; Y128-F133 HydrophobicContact CE1-CB 3.91Å; Y128-F133 HydrophobicContact CE1-CD2 4.12Å; F133-T135 VanDerWaalsContact CE2-C 3.44Å; F133-T135 WeakPolarHBondContact CE2-O 3.49Å; F133-E136 HydrophobicContact CZ-CG 4.26Å
134	H	93.9	Very high	93.2	Very high	68 Å²	68	57.8 Å²	57.8	32%	0.315	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-53.3	-176.6	179.7	-108.5	0	0	0	112.1	H127 K129 P153 S154	H127-H134 WeakPolarHBondContact CE1-CB 3.45Å; H127-H134 AromaticContact CE1-CD2 3.83Å; H127-H134 AromaticContact CE1-CE1 3.67Å; H127-H134 AromaticContact CE1-CG 2.64Å; H127-H134 AromaticContact CE1-ND1 2.51Å; H127-H134 PolarHBondContact CE1-ND1 3.05Å; H127-H134 WeakPolarHBondContact ND1-CB 3.45Å; H127-H134 AromaticContact ND1-CG 3.59Å; H127-H134 AromaticContact ND1-ND1 3.24Å; H127-H134 PolarHBondContact ND1-ND1 3.12Å; H127-H134 WeakPolarHBondContact O-CB 3.47Å; H127-H134 PolarHBondContact O-N 3.41Å; K129-H134 HydrophobicContact CB-CB 3.78Å; H134-P153 PolarHBondContact CE1-O 2.85Å; H134-S154 PolarHBondContact NE2-OG 3Å
135	T	94.5	Very high	93.1	Very high	42 Å²	42	56.8 Å²	56.8	26%	0.258	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	156.6	178.9	-174.4	0	0	0	0	111.6	H127 F133 F149	H127-T135 HydrophobicContact CB-CG2 4Å; H127-T135 PolarHBondContact N-O 2.88Å; H127-T135 PolarHBondContact O-N 2.04Å; F133-T135 VanDerWaalsContact CE2-C 3.44Å; F133-T135 WeakPolarHBondContact CE2-O 3.49Å; T135-F149 HydrophobicContact CG2-CE2 4.03Å; T135-F149 HydrophobicContact CG2-CZ 3.75Å
136	E	94	Very high	93	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	145.8	155.1	-54.1	-161.6	-172	0	0	108.9	K119 L126 F133 N138	K119-E136 IonicContact NZ-OE1 2.85Å; K119-E136 PolarHBondContact NZ-OE1 3.39Å; K119-E136 VanDerWaalsContact NZ-OE1 3.07Å; K119-E136 IonicContact NZ-OE2 2.69Å; K119-E136 PolarHBondContact NZ-OE2 2.84Å; L126-E136 HydrophobicContact CD2-CB 4.12Å; L126-E136 HydrophobicContact CD2-CG 3.72Å; F133-E136 HydrophobicContact CZ-CG 4.26Å; E136-N138 PolarHBondContact O-N 3.28Å
137	Y	92.9	Very high	92.8	Very high	25 Å²	25	56.5 Å²	56.5	10%	0.098	30%	0.302	C	S	.	.			trans	-81.3	107	170.9	-179.8	-90.6	0	0	0	109.3	L125 R139 P140 S145 M146 F149	L125-Y137 HydrophobicContact CB-CD1 4.43Å; L125-Y137 HydrophobicContact CB-CG 4.36Å; L125-Y137 HydrophobicContact CD1-CD1 3.9Å; L125-Y137 HydrophobicContact CD1-CE1 4.46Å; L125-Y137 HydrophobicContact CD1-CG 4.38Å; L125-Y137 PolarHBondContact O-N 3.25Å; Y137-R139 HydrophobicContact CE1-CB 4.19Å; Y137-R139 WeakPolarHBondContact CE1-O 3.33Å; Y137-R139 HydrophobicContact CE2-CB 4.14Å; Y137-P140 PolarHBondContact OH-O 3.31Å; Y137-S145 VanDerWaalsContact OH-CB 3.28Å; Y137-S145 WeakPolarHBondContact OH-CB 3.46Å; Y137-S145 PolarHBondContact OH-OG 3.35Å; Y137-S145 VanDerWaalsContact OH-OG 3.06Å; Y137-M146 HydrophobicContact CE1-CE 4.09Å; Y137-M146 HydrophobicContact CE1-CG 4.28Å; Y137-M146 HydrophobicContact CE2-CG 4.08Å; Y137-M146 VanDerWaalsContact OH-CG 3.26Å; Y137-M146 WeakPolarHBondContact OH-CG 3.37Å; Y137-M146 PolarHBondContact OH-N 3.28Å; Y137-F149 AromaticContact CD2-CD1 3.6Å; Y137-F149 HydrophobicContact CD2-CD1 3.6Å; Y137-F149 AromaticContact CD2-CE1 3.87Å; Y137-F149 HydrophobicContact CD2-CE1 3.87Å; Y137-F149 HydrophobicContact CD2-CG 4Å; Y137-F149 HydrophobicContact CD2-CZ 4.48Å; Y137-F149 HydrophobicContact CE2-CB 4.01Å; Y137-F149 AromaticContact CE2-CD1 3.83Å; Y137-F149 HydrophobicContact CE2-CD1 3.83Å; Y137-F149 AromaticContact CE2-CG 3.95Å; Y137-F149 HydrophobicContact CE2-CG 3.95Å
138	N	89.4	Confident	92.5	Very high	137 Å²	137	57.8 Å²	57.8	73%	0.733	31%	0.312	S	S	*	.			trans	-111	8.9	-173.3	63.4	-7	0	0	0	114	E136	E136-N138 PolarHBondContact O-N 3.28Å
139	R	89.8	Confident	92.4	Very high	35 Å²	35	57.3 Å²	57.3	13%	0.132	31%	0.311	C	S	.	.	S	Bend	trans	-89.6	166.6	179.7	-53.7	-173.7	-170.9	-154.9	-1.6	111.3	Y137 A141 S145 G155 P156 E161	Y137-R139 HydrophobicContact CE1-CB 4.19Å; Y137-R139 WeakPolarHBondContact CE1-O 3.33Å; Y137-R139 HydrophobicContact CE2-CB 4.14Å; R139-A141 PolarHBondContact O-N 3.12Å; R139-S145 VanDerWaalsContact CB-OG 3.3Å; R139-S145 WeakPolarHBondContact CB-OG 3.39Å; R139-G155 PolarHBondContact NH2-O 3.45Å; R139-P156 PolarHBondContact NH1-O 3Å; R139-P156 PolarHBondContact NH2-O 2.65Å; R139-E161 IonicContact NH1-OE2 2.81Å
140	P	90.7	Very high	92.4	Very high	66 Å²	66	54.1 Å²	54.1	43%	0.429	30%	0.297	S	S	.	.			trans	-53.2	139.3	173.6	-28	37.8	0	0	0	112.4	Y137 T142 S145 E161	Y137-P140 PolarHBondContact OH-O 3.31Å; P140-T142 HydrophobicContact CB-CG2 4.08Å; P140-T142 PolarHBondContact O-N 3.25Å; P140-S145 VanDerWaalsContact O-CB 3.28Å; P140-S145 WeakPolarHBondContact O-CB 3.48Å; P140-S145 PolarHBondContact O-OG 2.92Å; P140-E161 HydrophobicContact CG-CG 4.2Å
141	A	90.8	Very high	92.3	Very high	48 Å²	48	54.4 Å²	54.4	40%	0.397	29%	0.293	S	S	.	.	S	Bend	trans	-78.7	64.5	-179.3	0	0	0	0	0	111.6	Y78 L81 R139 M146	Y78-A141 HydrophobicContact CE1-CB 3.73Å; L81-A141 VanDerWaalsContact CD2-O 3.27Å; L81-A141 WeakPolarHBondContact CD2-O 3.29Å; R139-A141 PolarHBondContact O-N 3.12Å; A141-M146 HydrophobicContact CB-CE 4.06Å
142	T	91.9	Very high	92.2	Very high	66 Å²	66	56.5 Å²	56.5	41%	0.405	30%	0.296	S	S	.	.			trans	-119.9	155.1	-179.5	75.1	0	0	0	0	111.3	P140 K144 S145 M146	P140-T142 HydrophobicContact CB-CG2 4.08Å; P140-T142 PolarHBondContact O-N 3.25Å; T142-K144 VanDerWaalsContact C-N 3.31Å; T142-K144 PolarHBondContact O-N 2.96Å; T142-S145 PolarHBondContact O-N 2.98Å; T142-S145 VanDerWaalsContact OG1-CB 3.27Å; T142-S145 WeakPolarHBondContact OG1-CB 3.43Å; T142-S145 PolarHBondContact OG1-N 2.99Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3.3Å
143	F	91.6	Very high	92	Very high	89 Å²	89	52.8 Å²	52.8	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-47.1	179.3	173.4	-92.7	0	0	0	111.4	L81 D84 V85 T88 S145 M146 V147	L81-F143 HydrophobicContact CD1-CB 3.83Å; D84-F143 HydrophobicContact CB-CD2 4.02Å; D84-F143 HydrophobicContact CB-CE2 3.95Å; V85-F143 HydrophobicContact CG2-CD2 3.88Å; T88-F143 HydrophobicContact CG2-CZ 3.93Å; T88-F143 WeakPolarHBondContact OG1-CE2 3.31Å; T88-F143 VanDerWaalsContact OG1-CZ 3.3Å; T88-F143 WeakPolarHBondContact OG1-CZ 3.45Å; F143-S145 PolarHBondContact O-N 3.24Å; F143-M146 PolarHBondContact O-N 3.08Å; F143-V147 HydrophobicContact CD1-CG2 4.36Å; F143-V147 HydrophobicContact CD2-CG2 4.34Å; F143-V147 HydrophobicContact CE1-CG2 4.13Å; F143-V147 HydrophobicContact CE2-CG2 4.12Å; F143-V147 HydrophobicContact CG-CG2 4.46Å; F143-V147 HydrophobicContact CZ-CG2 4.02Å; F143-V147 WeakPolarHBondContact O-CB 3.38Å; F143-V147 VanDerWaalsContact O-CG2 3.23Å; F143-V147 WeakPolarHBondContact O-CG2 3.2Å; F143-V147 PolarHBondContact O-N 3.33Å
144	K	89.8	Confident	91.6	Very high	74 Å²	74	50.2 Å²	50.2	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-45	-179.6	-160.9	-172.5	-166.2	-176.1	0	112	T142 A148 L158 E160 E172	T142-K144 VanDerWaalsContact C-N 3.31Å; T142-K144 PolarHBondContact O-N 2.96Å; K144-A148 VanDerWaalsContact O-CB 3.24Å; K144-A148 WeakPolarHBondContact O-CB 3.2Å; K144-A148 PolarHBondContact O-N 2.88Å; K144-L158 HydrophobicContact CB-CD1 4.42Å; K144-L158 HydrophobicContact CD-CD1 3.98Å; K144-L158 HydrophobicContact CG-CD1 3.79Å; K144-E160 WeakPolarHBondContact CE-OE1 3.4Å; K144-E160 IonicContact NZ-OE1 3.88Å; K144-E160 PolarHBondContact NZ-OE1 2.9Å; K144-E172 WeakPolarHBondContact CD-OE1 3.24Å; K144-E172 WeakPolarHBondContact CE-OE1 3.32Å; K144-E172 IonicContact NZ-OE1 2.88Å; K144-E172 PolarHBondContact NZ-OE1 2.85Å
145	S	91.9	Very high	90.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-48	178.9	-165.3	0	0	0	0	111.8	Y137 R139 P140 T142 F143 A148 F149 E161	Y137-S145 VanDerWaalsContact OH-CB 3.28Å; Y137-S145 WeakPolarHBondContact OH-CB 3.46Å; Y137-S145 PolarHBondContact OH-OG 3.35Å; Y137-S145 VanDerWaalsContact OH-OG 3.06Å; R139-S145 VanDerWaalsContact CB-OG 3.3Å; R139-S145 WeakPolarHBondContact CB-OG 3.39Å; P140-S145 VanDerWaalsContact O-CB 3.28Å; P140-S145 WeakPolarHBondContact O-CB 3.48Å; P140-S145 PolarHBondContact O-OG 2.92Å; T142-S145 PolarHBondContact O-N 2.98Å; T142-S145 VanDerWaalsContact OG1-CB 3.27Å; T142-S145 WeakPolarHBondContact OG1-CB 3.43Å; T142-S145 PolarHBondContact OG1-N 2.99Å; F143-S145 PolarHBondContact O-N 3.24Å; S145-A148 PolarHBondContact O-N 2.94Å; S145-F149 VanDerWaalsContact O-CB 3.28Å; S145-F149 WeakPolarHBondContact O-CB 3.34Å; S145-F149 PolarHBondContact O-N 3.46Å; S145-E161 WeakPolarHBondContact CA-OE1 3.23Å; S145-E161 WeakPolarHBondContact CB-OE1 3.34Å; S145-E161 PolarHBondContact OG-OE1 2.91Å
146	M	94.6	Very high	90.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-40.4	178.9	-68.8	-173.9	-179.2	0	0	112.5	Y78 L81 L82 V85 L125 Y137 A141 T142 F143 L150	Y78-M146 HydrophobicContact CD1-CE 4.05Å; Y78-M146 HydrophobicContact CE1-CE 4.2Å; L81-M146 HydrophobicContact CD2-CE 3.72Å; L81-M146 HydrophobicContact CD2-SD 3.73Å; L81-M146 HydrophobicContact CG-SD 4.07Å; L82-M146 HydrophobicContact CD2-SD 3.65Å; L82-M146 HydrophobicContact CG-SD 4.35Å; V85-M146 HydrophobicContact CG1-CB 3.97Å; V85-M146 HydrophobicContact CG2-CB 3.8Å; V85-M146 HydrophobicContact CG2-SD 4.25Å; L125-M146 HydrophobicContact CD1-CE 3.66Å; Y137-M146 HydrophobicContact CE1-CE 4.09Å; Y137-M146 HydrophobicContact CE1-CG 4.28Å; Y137-M146 HydrophobicContact CE2-CG 4.08Å; Y137-M146 VanDerWaalsContact OH-CG 3.26Å; Y137-M146 WeakPolarHBondContact OH-CG 3.37Å; Y137-M146 PolarHBondContact OH-N 3.28Å; A141-M146 HydrophobicContact CB-CE 4.06Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3.3Å; F143-M146 PolarHBondContact O-N 3.08Å; M146-L150 WeakPolarHBondContact O-CB 3.44Å; M146-L150 PolarHBondContact O-N 2.83Å
147	V	92.9	Very high	90	Very high	14 Å²	14	48.7 Å²	48.7	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-41.6	175.1	170.1	0	0	0	0	111.2	V85 T88 V89 F143 K151	V85-V147 HydrophobicContact CB-CG2 4.35Å; V85-V147 HydrophobicContact CG1-CG2 3.93Å; V85-V147 HydrophobicContact CG2-CG2 4.23Å; T88-V147 HydrophobicContact CG2-CG1 3.97Å; T88-V147 HydrophobicContact CG2-CG2 3.89Å; V89-V147 HydrophobicContact CG1-CB 4.4Å; V89-V147 HydrophobicContact CG1-CG1 4.24Å; V89-V147 HydrophobicContact CG1-CG2 4.19Å; F143-V147 HydrophobicContact CD1-CG2 4.36Å; F143-V147 HydrophobicContact CD2-CG2 4.34Å; F143-V147 HydrophobicContact CE1-CG2 4.13Å; F143-V147 HydrophobicContact CE2-CG2 4.12Å; F143-V147 HydrophobicContact CG-CG2 4.46Å; F143-V147 HydrophobicContact CZ-CG2 4.02Å; F143-V147 WeakPolarHBondContact O-CB 3.38Å; F143-V147 VanDerWaalsContact O-CG2 3.23Å; F143-V147 WeakPolarHBondContact O-CG2 3.2Å; F143-V147 PolarHBondContact O-N 3.33Å; V147-K151 HydrophobicContact CG1-CD 4.06Å; V147-K151 WeakPolarHBondContact O-CB 3.24Å; V147-K151 VanDerWaalsContact O-CG 3.25Å; V147-K151 WeakPolarHBondContact O-CG 3.26Å; V147-K151 PolarHBondContact O-N 3.36Å; V147-K151 VanDerWaalsContact O-N 3.12Å
148	A	90.5	Very high	89.7	Confident	27 Å²	27	49.4 Å²	49.4	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-47.7	176.7	0	0	0	0	0	111.4	K144 S145 L150 K151 D152 L158	K144-A148 VanDerWaalsContact O-CB 3.24Å; K144-A148 WeakPolarHBondContact O-CB 3.2Å; K144-A148 PolarHBondContact O-N 2.88Å; S145-A148 PolarHBondContact O-N 2.94Å; A148-L150 PolarHBondContact O-N 2.92Å; A148-K151 PolarHBondContact O-N 3.47Å; A148-D152 PolarHBondContact O-N 2.82Å; A148-L158 HydrophobicContact CB-CD1 4.01Å; A148-L158 HydrophobicContact CB-CD2 3.79Å; A148-L158 HydrophobicContact CB-CG 4.02Å
149	F	94.3	Very high	89.8	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-43	176.4	175.6	-103.9	0	0	0	112.5	L65 H127 T135 Y137 S145 K151 D152 P153	L65-F149 HydrophobicContact CD1-CE1 4.42Å; H127-F149 HydrophobicContact CB-CE1 3.83Å; H127-F149 HydrophobicContact CB-CZ 3.67Å; H127-F149 AromaticContact CD2-CE1 3.52Å; H127-F149 AromaticContact CD2-CZ 3.87Å; H127-F149 AromaticContact CG-CE1 3.69Å; H127-F149 AromaticContact CG-CZ 3.59Å; T135-F149 HydrophobicContact CG2-CE2 4.03Å; T135-F149 HydrophobicContact CG2-CZ 3.75Å; Y137-F149 AromaticContact CD2-CD1 3.6Å; Y137-F149 HydrophobicContact CD2-CD1 3.6Å; Y137-F149 AromaticContact CD2-CE1 3.87Å; Y137-F149 HydrophobicContact CD2-CE1 3.87Å; Y137-F149 HydrophobicContact CD2-CG 4Å; Y137-F149 HydrophobicContact CD2-CZ 4.48Å; Y137-F149 HydrophobicContact CE2-CB 4.01Å; Y137-F149 AromaticContact CE2-CD1 3.83Å; Y137-F149 HydrophobicContact CE2-CD1 3.83Å; Y137-F149 AromaticContact CE2-CG 3.95Å; Y137-F149 HydrophobicContact CE2-CG 3.95Å; S145-F149 VanDerWaalsContact O-CB 3.28Å; S145-F149 WeakPolarHBondContact O-CB 3.34Å; S145-F149 PolarHBondContact O-N 3.46Å; F149-K151 PolarHBondContact O-N 3.5Å; F149-D152 CarbonylContact O-C 3.47Å; F149-D152 PolarHBondContact O-N 3.3Å; F149-P153 HydrophobicContact CE2-CB 4.13Å; F149-P153 WeakPolarHBondContact CE2-O 3.28Å; F149-P153 HydrophobicContact CZ-CB 4.24Å; F149-P153 WeakPolarHBondContact O-CA 3.28Å; F149-P153 VanDerWaalsContact O-CD 3.26Å; F149-P153 WeakPolarHBondContact O-CD 3.28Å; F149-P153 VanDerWaalsContact O-CG 3.26Å; F149-P153 WeakPolarHBondContact O-CG 3.01Å
150	L	94.1	Very high	89.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-73.4	-14.1	177.7	-81.6	168.2	0	0	0	113.9	N63 L65 V85 V89 I95 M146 A148	N63-L150 PolarHBondContact ND2-O 3Å; N63-L150 WeakPolarHBondContact OD1-CD2 3.38Å; L65-L150 HydrophobicContact CB-CD1 4.22Å; L65-L150 HydrophobicContact CB-CD2 3.87Å; L65-L150 HydrophobicContact CB-CG 4.42Å; L65-L150 HydrophobicContact CD2-CD1 4Å; L65-L150 HydrophobicContact CD2-CG 4.45Å; V85-L150 HydrophobicContact CG1-CD1 3.83Å; V89-L150 HydrophobicContact CB-CB 4.36Å; V89-L150 HydrophobicContact CG1-CB 3.92Å; V89-L150 HydrophobicContact CG2-CB 4.38Å; V89-L150 HydrophobicContact CG2-CD1 4.06Å; I95-L150 HydrophobicContact CD1-CD1 3.79Å; I95-L150 HydrophobicContact CG1-CD1 3.86Å; M146-L150 WeakPolarHBondContact O-CB 3.44Å; M146-L150 PolarHBondContact O-N 2.83Å; A148-L150 PolarHBondContact O-N 2.92Å
151	K	91.1	Very high	89.6	Confident	114 Å²	114	42.9 Å²	42.9	50%	0.496	24%	0.242	S	C	.	.	H	α-helix	trans	-87.1	-38.3	172.2	-76.4	179.6	177.8	-177.5	0	112.9	Q92 V147 A148 F149	Q92-K151 VanDerWaalsContact OE1-CE 3.24Å; V147-K151 HydrophobicContact CG1-CD 4.06Å; V147-K151 WeakPolarHBondContact O-CB 3.24Å; V147-K151 VanDerWaalsContact O-CG 3.25Å; V147-K151 WeakPolarHBondContact O-CG 3.26Å; V147-K151 PolarHBondContact O-N 3.36Å; V147-K151 VanDerWaalsContact O-N 3.12Å; A148-K151 PolarHBondContact O-N 3.47Å; F149-K151 PolarHBondContact O-N 3.5Å
152	D	89.1	Confident	89.5	Confident	77 Å²	77	43 Å²	43	41%	0.412	24%	0.236	S	C	.	.			trans	-137.3	86.8	169.9	-176	6.9	0	0	0	110.4	A148 F149 S154 G155	A148-D152 PolarHBondContact O-N 2.82Å; F149-D152 CarbonylContact O-C 3.47Å; F149-D152 PolarHBondContact O-N 3.3Å; D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 VanDerWaalsContact O-N 3.1Å; D152-S154 PolarHBondContact OD1-N 3.02Å; D152-G155 VanDerWaalsContact CG-CA 3.43Å; D152-G155 PolarHBondContact O-N 2.92Å; D152-G155 PolarHBondContact OD1-N 3.48Å; D152-G155 WeakPolarHBondContact OD2-CA 3.32Å; D152-G155 PolarHBondContact OD2-N 3.33Å
153	P	89.1	Confident	89.3	Confident	16 Å²	16	45 Å²	45	10%	0.104	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	-178.7	-23.6	32.8	0	0	0	113.5	H134 F149	H134-P153 PolarHBondContact CE1-O 2.85Å; F149-P153 HydrophobicContact CE2-CB 4.13Å; F149-P153 WeakPolarHBondContact CE2-O 3.28Å; F149-P153 HydrophobicContact CZ-CB 4.24Å; F149-P153 WeakPolarHBondContact O-CA 3.28Å; F149-P153 VanDerWaalsContact O-CD 3.26Å; F149-P153 WeakPolarHBondContact O-CD 3.28Å; F149-P153 VanDerWaalsContact O-CG 3.26Å; F149-P153 WeakPolarHBondContact O-CG 3.01Å
154	S	87	Confident	89.1	Confident	56 Å²	56	46.7 Å²	46.7	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.8	179.8	-52.3	0	0	0	0	112	K129 H134 D152	K129-S154 PolarHBondContact NZ-OG 2.84Å; H134-S154 PolarHBondContact NE2-OG 3Å; D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 VanDerWaalsContact O-N 3.1Å; D152-S154 PolarHBondContact OD1-N 3.02Å
155	G	79.9	Confident	89.1	Confident	10 Å²	10	43.3 Å²	43.3	10%	0.103	25%	0.245	C	C	.	.	S	Bend	trans	-85.8	162.4	174.3	0	0	0	0	0	112.2	R139 D152	R139-G155 PolarHBondContact NH2-O 3.45Å; D152-G155 VanDerWaalsContact CG-CA 3.43Å; D152-G155 PolarHBondContact O-N 2.92Å; D152-G155 PolarHBondContact OD1-N 3.48Å; D152-G155 WeakPolarHBondContact OD2-CA 3.32Å; D152-G155 PolarHBondContact OD2-N 3.33Å
156	P	81.6	Confident	89.2	Confident	85 Å²	85	50.8 Å²	50.8	55%	0.552	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-63.7	166.7	176.9	29.3	-35.9	0	0	0	112.2	R139	R139-P156 PolarHBondContact NH1-O 3Å; R139-P156 PolarHBondContact NH2-O 2.65Å
157	P	86	Confident	89.2	Confident	78 Å²	78	52.5 Å²	52.5	51%	0.506	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-49.4	157.2	157.7	-25.6	36.5	0	0	0	112.3	E161	P157-E161 VanDerWaalsContact CA-OE2 3.24Å; P157-E161 WeakPolarHBondContact CA-OE2 3.26Å; P157-E161 HydrophobicContact CB-CB 3.91Å; P157-E161 WeakPolarHBondContact CB-OE2 3.27Å
158	L	88.6	Confident	89.4	Confident	40 Å²	40	52.2 Å²	52.2	21%	0.209	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.2	159.7	166.2	-61.2	174.5	0	0	0	109.6	K144 A148 E160 E161	K144-L158 HydrophobicContact CB-CD1 4.42Å; K144-L158 HydrophobicContact CD-CD1 3.98Å; K144-L158 HydrophobicContact CG-CD1 3.79Å; A148-L158 HydrophobicContact CB-CD1 4.01Å; A148-L158 HydrophobicContact CB-CD2 3.79Å; A148-L158 HydrophobicContact CB-CG 4.02Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 HydrophobicContact CB-CG 3.87Å; L158-E160 PolarHBondContact O-N 3.34Å; L158-E161 HydrophobicContact CB-CG 3.95Å; L158-E161 PolarHBondContact N-OE2 2.94Å; L158-E161 WeakPolarHBondContact O-CB 3.38Å; L158-E161 PolarHBondContact O-N 2.9Å
159	W	90.4	Very high	89.8	Confident	16 Å²	16	53.8 Å²	53.8	6%	0.061	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.1	-39.2	-173.3	-177.4	24.5	0	0	0	111.6	E161 N162 A165 V168 H170 M191 Y193 Q204 F207 Q208	W159-E161 PolarHBondContact O-N 3.34Å; W159-E161 VanDerWaalsContact O-N 3.16Å; W159-N162 WeakPolarHBondContact O-CB 3.44Å; W159-N162 PolarHBondContact O-N 2.86Å; W159-A165 WeakPolarHBondContact O-CB 3.14Å; W159-V168 HydrophobicContact CH2-CG1 3.87Å; W159-V168 HydrophobicContact CZ2-CG1 3.99Å; W159-V168 HydrophobicContact CZ2-CG2 4.12Å; W159-H170 AromaticContact CD2-CE1 3.58Å; W159-H170 AromaticContact CE2-CE1 3.95Å; W159-H170 AromaticContact CE3-CE1 3.9Å; W159-H170 AromaticContact CG-CE1 3.72Å; W159-M191 HydrophobicContact CE3-CE 4.27Å; W159-M191 HydrophobicContact CH2-CE 3.28Å; W159-M191 HydrophobicContact CZ2-CE 4.08Å; W159-M191 HydrophobicContact CZ3-CE 3.37Å; W159-Y193 HydrophobicContact CE3-CD1 4.13Å; W159-Y193 AromaticContact CE3-CE1 3.59Å; W159-Y193 HydrophobicContact CE3-CE1 3.59Å; W159-Y193 HydrophobicContact CE3-CE2 4.34Å; W159-Y193 AromaticContact CE3-CZ 3.71Å; W159-Y193 AromaticContact CZ3-CD1 4Å; W159-Y193 HydrophobicContact CZ3-CD1 4Å; W159-Y193 AromaticContact CZ3-CE1 3.77Å; W159-Y193 HydrophobicContact CZ3-CE1 3.77Å; W159-Q204 HydrophobicContact CD2-CG 3.69Å; W159-Q204 VanDerWaalsContact CD2-NE2 3.35Å; W159-Q204 HydrophobicContact CE3-CG 4.09Å; W159-Q204 HydrophobicContact CG-CG 4.07Å; W159-Q204 VanDerWaalsContact CG-NE2 3.34Å; W159-Q204 HydrophobicContact CH2-CG 4.41Å; W159-Q204 HydrophobicContact CZ2-CB 4.43Å; W159-Q204 HydrophobicContact CZ2-CG 4.01Å; W159-Q204 HydrophobicContact CZ3-CG 4.41Å; W159-F207 AromaticContact CH2-CD1 3.7Å; W159-F207 HydrophobicContact CH2-CD1 3.7Å; W159-F207 HydrophobicContact CH2-CE1 4.17Å; W159-F207 HydrophobicContact CZ2-CD1 4.02Å; W159-Q208 HydrophobicContact CZ2-CG 4.09Å; W159-Q208 VanDerWaalsContact NE1-CD 3.26Å; W159-Q208 VanDerWaalsContact NE1-NE2 3.11Å
160	E	88.3	Confident	89.8	Confident	53 Å²	53	55.9 Å²	55.9	25%	0.248	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-60.4	-10	168.7	55.9	-93.8	-136.7	0	0	114.9	K144 L158 H170	K144-E160 WeakPolarHBondContact CE-OE1 3.4Å; K144-E160 IonicContact NZ-OE1 3.88Å; K144-E160 PolarHBondContact NZ-OE1 2.9Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 HydrophobicContact CB-CG 3.87Å; L158-E160 PolarHBondContact O-N 3.34Å; E160-H170 HydrophobicContact CB-CB 3.96Å; E160-H170 PolarHBondContact N-CE1 3.06Å
161	E	89	Confident	89.9	Confident	31 Å²	31	56.5 Å²	56.5	15%	0.145	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-95.9	-9.3	174.2	-62.6	168.1	178.9	0	0	112.4	R139 P140 S145 P157 L158 W159 P163	R139-E161 IonicContact NH1-OE2 2.81Å; P140-E161 HydrophobicContact CG-CG 4.2Å; S145-E161 WeakPolarHBondContact CA-OE1 3.23Å; S145-E161 WeakPolarHBondContact CB-OE1 3.34Å; S145-E161 PolarHBondContact OG-OE1 2.91Å; P157-E161 VanDerWaalsContact CA-OE2 3.24Å; P157-E161 WeakPolarHBondContact CA-OE2 3.26Å; P157-E161 HydrophobicContact CB-CB 3.91Å; P157-E161 WeakPolarHBondContact CB-OE2 3.27Å; L158-E161 HydrophobicContact CB-CG 3.95Å; L158-E161 PolarHBondContact N-OE2 2.94Å; L158-E161 WeakPolarHBondContact O-CB 3.38Å; L158-E161 PolarHBondContact O-N 2.9Å; W159-E161 PolarHBondContact O-N 3.34Å; W159-E161 VanDerWaalsContact O-N 3.16Å; E161-P163 WeakPolarHBondContact O-CD 3.26Å
162	N	88.7	Confident	89.9	Confident	50 Å²	50	56.5 Å²	56.5	27%	0.267	31%	0.306	S	S	.	.			trans	-74.3	122.8	178.4	-171.5	13	0	0	0	110.7	W159 E164 A165 Q208	W159-N162 WeakPolarHBondContact O-CB 3.44Å; W159-N162 PolarHBondContact O-N 2.86Å; N162-E164 PolarHBondContact ND2-OE2 2.94Å; N162-E164 PolarHBondContact O-N 2.88Å; N162-E164 VanDerWaalsContact O-N 3.13Å; N162-E164 PolarHBondContact OD1-N 3.42Å; N162-A165 HydrophobicContact CB-CB 4.04Å; N162-A165 WeakPolarHBondContact O-CB 3.48Å; N162-A165 PolarHBondContact O-N 3.43Å; N162-Q208 PolarHBondContact ND2-OE1 3.17Å
163	P	86.9	Confident	90.1	Very high	108 Å²	108	55.4 Å²	55.4	70%	0.701	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59	-24.5	175.9	-26.5	36.7	0	0	0	114.6	E161 A165	E161-P163 WeakPolarHBondContact O-CD 3.26Å; P163-A165 VanDerWaalsContact C-N 3.31Å
164	E	87.6	Confident	90.4	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-74.7	-21.9	174.8	-51.1	171.9	141.6	0	0	112.2	N162 K166	N162-E164 PolarHBondContact ND2-OE2 2.94Å; N162-E164 PolarHBondContact O-N 2.88Å; N162-E164 VanDerWaalsContact O-N 3.13Å; N162-E164 PolarHBondContact OD1-N 3.42Å; E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 3.17Å
165	A	90.4	Very high	90.8	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-82.7	-0.2	-179.5	0	0	0	0	0	114.3	W159 N162 P163 D167 V168 Q208	W159-A165 WeakPolarHBondContact O-CB 3.14Å; N162-A165 HydrophobicContact CB-CB 4.04Å; N162-A165 WeakPolarHBondContact O-CB 3.48Å; N162-A165 PolarHBondContact O-N 3.43Å; P163-A165 VanDerWaalsContact C-N 3.31Å; A165-D167 PolarHBondContact O-N 2.92Å; A165-V168 WeakPolarHBondContact O-CB 3.36Å; A165-V168 PolarHBondContact O-N 3.02Å; A165-Q208 VanDerWaalsContact CA-OE1 3.29Å; A165-Q208 HydrophobicContact CB-CG 3.9Å; A165-Q208 VanDerWaalsContact CB-OE1 3.26Å
166	K	92.1	Very high	91.6	Very high	156 Å²	156	65.4 Å²	65.4	68%	0.678	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-48.6	-24.4	-177.2	73.1	-167.3	178.4	-167	0	116	E164	E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 3.17Å
167	D	96.3	Very high	92.3	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.193	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-101.8	0.3	-177.2	-72.5	-47	0	0	0	113.3	A165 K215	A165-D167 PolarHBondContact O-N 2.92Å; D167-K215 WeakPolarHBondContact OD1-CD 3.44Å; D167-K215 WeakPolarHBondContact OD1-CE 3.44Å; D167-K215 IonicContact OD1-NZ 2.7Å; D167-K215 PolarHBondContact OD1-NZ 3Å; D167-K215 IonicContact OD2-NZ 2.75Å
168	V	97.3	Very high	92.8	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.055	31%	0.305	C	S	.	.	S	Bend	trans	-91.3	134.6	167.8	-179.7	0	0	0	0	109.4	W159 A165 H170 F207 Q208 A211 L220	W159-V168 HydrophobicContact CH2-CG1 3.87Å; W159-V168 HydrophobicContact CZ2-CG1 3.99Å; W159-V168 HydrophobicContact CZ2-CG2 4.12Å; A165-V168 WeakPolarHBondContact O-CB 3.36Å; A165-V168 PolarHBondContact O-N 3.02Å; V168-H170 PolarHBondContact O-CD2 3.42Å; V168-H170 PolarHBondContact O-N 3.43Å; V168-F207 HydrophobicContact CG1-CD1 4.44Å; V168-F207 HydrophobicContact CG1-CE1 4.32Å; V168-F207 HydrophobicContact CG2-CD1 4.34Å; V168-Q208 HydrophobicContact CG2-CB 4.34Å; V168-Q208 HydrophobicContact CG2-CG 3.89Å; V168-A211 HydrophobicContact CG2-CB 3.76Å; V168-L220 WeakPolarHBondContact CA-O 3.26Å
169	V	97.3	Very high	93.2	Very high	59 Å²	59	65.7 Å²	65.7	36%	0.358	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.7	173.5	177	0	0	0	0	109.7	I171 L180 V219 L220 A221 G222	V169-I171 HydrophobicContact CG1-CG1 4.39Å; V169-L180 HydrophobicContact CG1-CD1 4.43Å; V169-L180 HydrophobicContact CG1-CD2 4.13Å; V169-V219 HydrophobicContact CB-CG1 4.21Å; V169-V219 HydrophobicContact CG2-CG1 3.6Å; V169-L220 PolarHBondContact N-O 3Å; V169-A221 HydrophobicContact CB-CB 3.97Å; V169-A221 HydrophobicContact CG1-CB 4.49Å; V169-A221 CarbonylContact O-C 3.56Å; V169-A221 WeakPolarHBondContact O-CA 3.07Å; V169-A221 VanDerWaalsContact O-CB 3.25Å; V169-A221 WeakPolarHBondContact O-CB 3.36Å; V169-G222 PolarHBondContact O-N 3.36Å
170	H	95.7	Very high	93.5	Very high	51 Å²	51	66.3 Å²	66.3	24%	0.236	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.8	176.4	-65.8	-91.2	0	0	0	110.9	W159 E160 V168	W159-H170 AromaticContact CD2-CE1 3.58Å; W159-H170 AromaticContact CE2-CE1 3.95Å; W159-H170 AromaticContact CE3-CE1 3.9Å; W159-H170 AromaticContact CG-CE1 3.72Å; E160-H170 HydrophobicContact CB-CB 3.96Å; E160-H170 PolarHBondContact N-CE1 3.06Å; V168-H170 PolarHBondContact O-CD2 3.42Å; V168-H170 PolarHBondContact O-N 3.43Å
171	I	96.2	Very high	93.9	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.9	-177.2	-53.9	172.5	0	0	0	108.9	V169 D176 F177 L180 I190 A221 G222 M223	V169-I171 HydrophobicContact CG1-CG1 4.39Å; I171-D176 HydrophobicContact CG2-CB 4.35Å; I171-F177 HydrophobicContact CD1-CD2 4.32Å; I171-F177 HydrophobicContact CG2-CB 3.89Å; I171-L180 HydrophobicContact CD1-CD2 3.71Å; I171-L180 HydrophobicContact CG1-CD2 4.29Å; I171-I190 HydrophobicContact CD1-CD1 4.24Å; I171-I190 HydrophobicContact CD1-CG2 4.32Å; I171-A221 HydrophobicContact CD1-CB 3.87Å; I171-A221 HydrophobicContact CG1-CB 4.33Å; I171-G222 PolarHBondContact N-O 3.16Å; I171-M223 HydrophobicContact CB-CB 4.01Å; I171-M223 HydrophobicContact CB-CG 4.02Å; I171-M223 HydrophobicContact CB-SD 4.31Å; I171-M223 HydrophobicContact CG2-CE 4.26Å; I171-M223 HydrophobicContact CG2-CG 4.07Å; I171-M223 HydrophobicContact CG2-SD 3.79Å
172	E	90.4	Very high	94.2	Very high	114 Å²	114	71.8 Å²	71.8	53%	0.533	35%	0.345	S	S	.	.			trans	-101.1	-27.8	-177.7	-52.6	-157.7	126	0	0	114	K144	K144-E172 WeakPolarHBondContact CD-OE1 3.24Å; K144-E172 WeakPolarHBondContact CE-OE1 3.32Å; K144-E172 IonicContact NZ-OE1 2.88Å; K144-E172 PolarHBondContact NZ-OE1 2.85Å
173	T	94.1	Very high	94.5	Very high	54 Å²	54	77.5 Å²	77.5	33%	0.331	37%	0.368	S	S	.	.	S	Bend	trans	-134.2	154.8	-173.1	79.7	0	0	0	0	111.7	K175 D176 F177	T173-K175 PolarHBondContact O-N 2.97Å; T173-K175 PolarHBondContact OG1-N 2.84Å; T173-D176 PolarHBondContact O-N 2.96Å; T173-D176 VanDerWaalsContact O-N 3.11Å; T173-D176 PolarHBondContact OG1-N 2.89Å; T173-D176 PolarHBondContact OG1-OD2 2.55Å; T173-F177 PolarHBondContact O-N 2.99Å
174	E	94.6	Very high	94.8	Very high	68 Å²	68	74.2 Å²	74.2	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-33.3	170.8	179	175.4	151.8	0	0	111.9	D176 F177 R178 L233	E174-D176 VanDerWaalsContact C-N 3.32Å; E174-D176 PolarHBondContact O-N 3.3Å; E174-F177 WeakPolarHBondContact O-CB 3.33Å; E174-F177 PolarHBondContact O-N 3.06Å; E174-R178 HydrophobicContact CG-CG 4.26Å; E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 2.73Å; E174-R178 IonicContact OE1-CZ 2.62Å; E174-R178 IonicContact OE1-NE 2.71Å; E174-R178 PolarHBondContact OE1-NE 3.06Å; E174-R178 IonicContact OE1-NH2 3.57Å; E174-R178 PolarHBondContact OE1-NH2 3.42Å; E174-L233 HydrophobicContact CB-CD1 4.07Å; E174-L233 HydrophobicContact CG-CD1 4.03Å; E174-L233 HydrophobicContact CG-CD2 4.13Å; E174-L233 HydrophobicContact CG-CG 4.23Å
175	K	95.9	Very high	95.1	Very high	170 Å²	170	76.4 Å²	76.4	74%	0.739	35%	0.354	S	S	*	.	H	α-helix	trans	-62.2	-40.8	175.9	-175.4	-178.3	-179.7	179.6	0	111.3	T173 K179	T173-K175 PolarHBondContact O-N 2.97Å; T173-K175 PolarHBondContact OG1-N 2.84Å; K175-K179 WeakPolarHBondContact O-CB 3.3Å; K175-K179 PolarHBondContact O-N 2.74Å
176	D	96.3	Very high	95.3	Very high	55 Å²	55	80.7 Å²	80.7	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-76.4	-34.1	177.3	-67.3	-65.3	0	0	0	112.4	I171 T173 E174 K179 L180	I171-D176 HydrophobicContact CG2-CB 4.35Å; T173-D176 PolarHBondContact O-N 2.96Å; T173-D176 VanDerWaalsContact O-N 3.11Å; T173-D176 PolarHBondContact OG1-N 2.89Å; T173-D176 PolarHBondContact OG1-OD2 2.55Å; E174-D176 VanDerWaalsContact C-N 3.32Å; E174-D176 PolarHBondContact O-N 3.3Å; D176-K179 PolarHBondContact O-N 3.14Å; D176-K179 IonicContact OD1-NZ 2.74Å; D176-K179 PolarHBondContact OD1-NZ 3.32Å; D176-L180 WeakPolarHBondContact O-CB 3.37Å; D176-L180 PolarHBondContact O-N 3.38Å
177	F	97.1	Very high	95.6	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.7	-57.8	168.2	173.2	-98.5	0	0	0	111.7	I171 T173 E174 K179 L180 L181 I190 F192 M223 L233 Y237 F248	I171-F177 HydrophobicContact CD1-CD2 4.32Å; I171-F177 HydrophobicContact CG2-CB 3.89Å; T173-F177 PolarHBondContact O-N 2.99Å; E174-F177 WeakPolarHBondContact O-CB 3.33Å; E174-F177 PolarHBondContact O-N 3.06Å; F177-K179 VanDerWaalsContact C-N 3.28Å; F177-K179 PolarHBondContact O-N 2.97Å; F177-L180 PolarHBondContact O-N 3.29Å; F177-L181 HydrophobicContact CD1-CD1 4.26Å; F177-L181 HydrophobicContact CE1-CD1 3.65Å; F177-L181 HydrophobicContact CE2-CD1 3.97Å; F177-L181 HydrophobicContact CZ-CD1 3.49Å; F177-L181 VanDerWaalsContact CZ-CD1 3.49Å; F177-L181 PolarHBondContact O-N 3.33Å; F177-L181 VanDerWaalsContact O-N 3.09Å; F177-I190 HydrophobicContact CD2-CD1 3.94Å; F177-I190 HydrophobicContact CE2-CD1 3.59Å; F177-F192 HydrophobicContact CD2-CE1 4.36Å; F177-F192 HydrophobicContact CD2-CZ 4.47Å; F177-F192 AromaticContact CE2-CE1 3.96Å; F177-F192 HydrophobicContact CE2-CE1 3.96Å; F177-F192 AromaticContact CE2-CZ 3.65Å; F177-F192 HydrophobicContact CE2-CZ 3.65Å; F177-F192 HydrophobicContact CZ-CZ 4.09Å; F177-M223 HydrophobicContact CB-CE 4.36Å; F177-M223 HydrophobicContact CB-SD 4.03Å; F177-M223 HydrophobicContact CD2-SD 3.93Å; F177-M223 HydrophobicContact CG-SD 4.21Å; F177-L233 HydrophobicContact CD1-CD1 4.4Å; F177-L233 HydrophobicContact CD1-CD2 3.88Å; F177-L233 HydrophobicContact CE1-CD2 3.73Å; F177-L233 HydrophobicContact CZ-CD2 4.47Å; F177-Y237 HydrophobicContact CE1-CD2 4.44Å; F177-Y237 AromaticContact CE1-CE2 3.49Å; F177-Y237 HydrophobicContact CE1-CE2 3.49Å; F177-Y237 VanDerWaalsContact CE1-CE2 3.49Å; F177-Y237 AromaticContact CE1-CZ 3.9Å; F177-Y237 HydrophobicContact CZ-CD2 4.02Å; F177-Y237 AromaticContact CZ-CE2 3.37Å; F177-Y237 HydrophobicContact CZ-CE2 3.37Å; F177-Y237 AromaticContact CZ-CZ 3.74Å; F177-F248 HydrophobicContact CE2-CZ 4.11Å; F177-F248 HydrophobicContact CZ-CE1 4.15Å; F177-F248 AromaticContact CZ-CZ 3.85Å; F177-F248 HydrophobicContact CZ-CZ 3.85Å
178	R	95.9	Very high	95.6	Very high	95 Å²	95	73 Å²	73	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-28.9	-179.3	-62	-168.4	-168.5	-79.9	1.9	112.4	E174 K182 E236	E174-R178 HydrophobicContact CG-CG 4.26Å; E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 2.73Å; E174-R178 IonicContact OE1-CZ 2.62Å; E174-R178 IonicContact OE1-NE 2.71Å; E174-R178 PolarHBondContact OE1-NE 3.06Å; E174-R178 IonicContact OE1-NH2 3.57Å; E174-R178 PolarHBondContact OE1-NH2 3.42Å; R178-K182 VanDerWaalsContact O-CB 3.26Å; R178-K182 WeakPolarHBondContact O-CB 3.49Å; R178-K182 PolarHBondContact O-N 3.4Å; R178-K182 VanDerWaalsContact O-N 3.08Å; R178-E236 IonicContact CZ-OE1 2.6Å; R178-E236 IonicContact CZ-OE2 3.33Å; R178-E236 IonicContact NH1-OE1 2.58Å; R178-E236 PolarHBondContact NH1-OE1 3.28Å; R178-E236 IonicContact NH1-OE2 3.78Å; R178-E236 PolarHBondContact NH1-OE2 3.19Å; R178-E236 IonicContact NH2-OE1 2.59Å; R178-E236 IonicContact NH2-OE2 3.89Å; R178-E236 PolarHBondContact NH2-OE2 2.8Å
179	K	96.8	Very high	95.7	Very high	113 Å²	113	72.6 Å²	72.6	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-71.4	-38.6	173.3	169.1	-176.7	148.6	-151.8	0	112.9	K175 D176 F177 K183	K175-K179 WeakPolarHBondContact O-CB 3.3Å; K175-K179 PolarHBondContact O-N 2.74Å; D176-K179 PolarHBondContact O-N 3.14Å; D176-K179 IonicContact OD1-NZ 2.74Å; D176-K179 PolarHBondContact OD1-NZ 3.32Å; F177-K179 VanDerWaalsContact C-N 3.28Å; F177-K179 PolarHBondContact O-N 2.97Å; K179-K183 WeakPolarHBondContact O-CB 3.35Å; K179-K183 WeakPolarHBondContact O-CG 3.36Å; K179-K183 PolarHBondContact O-N 3.02Å; K179-K183 VanDerWaalsContact O-N 3.17Å
180	L	96.6	Very high	95.7	Very high	29 Å²	29	69.8 Å²	69.8	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-55.5	173.6	178	66	0	0	0	109.5	V169 I171 D176 F177 K182 K183 E184 V188 A221	V169-L180 HydrophobicContact CG1-CD1 4.43Å; V169-L180 HydrophobicContact CG1-CD2 4.13Å; I171-L180 HydrophobicContact CD1-CD2 3.71Å; I171-L180 HydrophobicContact CG1-CD2 4.29Å; D176-L180 WeakPolarHBondContact O-CB 3.37Å; D176-L180 PolarHBondContact O-N 3.38Å; F177-L180 PolarHBondContact O-N 3.29Å; L180-K182 PolarHBondContact O-N 3.45Å; L180-K183 PolarHBondContact O-N 2.89Å; L180-E184 HydrophobicContact CD1-CB 4.17Å; L180-E184 WeakPolarHBondContact O-CB 3.44Å; L180-E184 PolarHBondContact O-N 2.92Å; L180-V188 HydrophobicContact CD2-CG1 4.09Å; L180-A221 HydrophobicContact CD2-CB 4.24Å
181	L	96.3	Very high	95.8	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-30.9	179.5	-66.6	-177.8	0	0	0	113.5	F177 V188 I190 F248 G251	F177-L181 HydrophobicContact CD1-CD1 4.26Å; F177-L181 HydrophobicContact CE1-CD1 3.65Å; F177-L181 HydrophobicContact CE2-CD1 3.97Å; F177-L181 HydrophobicContact CZ-CD1 3.49Å; F177-L181 VanDerWaalsContact CZ-CD1 3.49Å; F177-L181 PolarHBondContact O-N 3.33Å; F177-L181 VanDerWaalsContact O-N 3.09Å; L181-V188 HydrophobicContact CD2-CB 4.48Å; L181-I190 HydrophobicContact CD2-CD1 4.12Å; L181-F248 HydrophobicContact CD1-CD1 3.63Å; L181-F248 HydrophobicContact CD1-CE1 3.48Å; L181-F248 VanDerWaalsContact CD1-CE1 3.48Å; L181-F248 HydrophobicContact CD1-CG 4.39Å; L181-F248 HydrophobicContact CD1-CZ 4.15Å; L181-F248 HydrophobicContact CD2-CB 3.7Å; L181-F248 HydrophobicContact CD2-CD1 3.56Å; L181-F248 HydrophobicContact CD2-CD2 4.04Å; L181-F248 HydrophobicContact CD2-CE1 4.15Å; L181-F248 HydrophobicContact CD2-CG 3.52Å; L181-F248 HydrophobicContact CG-CD1 4.25Å; L181-F248 HydrophobicContact CG-CE1 4.48Å; L181-G251 WeakPolarHBondContact O-CA 3.26Å; L181-G251 PolarHBondContact O-N 2.93Å
182	K	95.5	Very high	95.8	Very high	188 Å²	188	66.8 Å²	66.8	82%	0.817	30%	0.303	S	S	*	.	H	α-helix	trans	-78.6	-22.6	175.7	-177.6	167.9	-178.8	174.4	0	114.3	R178 L180	R178-K182 VanDerWaalsContact O-CB 3.26Å; R178-K182 WeakPolarHBondContact O-CB 3.49Å; R178-K182 PolarHBondContact O-N 3.4Å; R178-K182 VanDerWaalsContact O-N 3.08Å; L180-K182 PolarHBondContact O-N 3.45Å
183	K	94.4	Very high	96	Very high	171 Å²	171	62 Å²	62	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-109.3	-24.3	-172.9	-76.9	-163.1	167.9	-149.4	0	114.8	K179 L180	K179-K183 WeakPolarHBondContact O-CB 3.35Å; K179-K183 WeakPolarHBondContact O-CG 3.36Å; K179-K183 PolarHBondContact O-N 3.02Å; K179-K183 VanDerWaalsContact O-N 3.17Å; L180-K183 PolarHBondContact O-N 2.89Å
184	E	94.6	Very high	95.8	Very high	38 Å²	38	59.5 Å²	59.5	18%	0.178	27%	0.265	C	S	.	.			trans	-86.8	119.6	-176.9	-171.8	52.8	-102.3	0	0	110.2	L180 R186 V188 V219	L180-E184 HydrophobicContact CD1-CB 4.17Å; L180-E184 WeakPolarHBondContact O-CB 3.44Å; L180-E184 PolarHBondContact O-N 2.92Å; E184-R186 HydrophobicContact CG-CB 4.28Å; E184-R186 WeakPolarHBondContact OE1-CB 3.47Å; E184-R186 WeakPolarHBondContact OE1-CG 3.22Å; E184-R186 IonicContact OE1-CZ 3.56Å; E184-R186 PolarHBondContact OE1-N 3.02Å; E184-R186 VanDerWaalsContact OE1-N 3.13Å; E184-R186 IonicContact OE1-NE 2.77Å; E184-R186 PolarHBondContact OE1-NE 2.81Å; E184-R186 IonicContact OE1-NH2 3.96Å; E184-R186 PolarHBondContact OE1-NH2 3.26Å; E184-R186 IonicContact OE2-CZ 3.53Å; E184-R186 IonicContact OE2-NE 3.54Å; E184-R186 IonicContact OE2-NH2 3.5Å; E184-R186 PolarHBondContact OE2-NH2 3.41Å; E184-V188 HydrophobicContact CB-CG2 4.08Å; E184-V188 HydrophobicContact CG-CG2 3.74Å; E184-V219 HydrophobicContact CG-CB 4.43Å; E184-V219 HydrophobicContact CG-CG2 3.79Å; E184-V219 WeakPolarHBondContact OE2-CG2 3.41Å
185	E	93.2	Very high	95.3	Very high	173 Å²	173	59.3 Å²	59.3	81%	0.808	27%	0.27	S	S	*	.			trans	-84.9	-25.7	178.4	-62.5	-173	163.5	0	0	111.7
186	R	95.6	Very high	94.5	Very high	92 Å²	92	58.5 Å²	58.5	35%	0.347	26%	0.262	S	S	.	.	S	Bend	trans	-73.6	156.6	175.4	-62.3	171.3	-67.8	168.8	4.5	110.6	E184 G216	E184-R186 HydrophobicContact CG-CB 4.28Å; E184-R186 WeakPolarHBondContact OE1-CB 3.47Å; E184-R186 WeakPolarHBondContact OE1-CG 3.22Å; E184-R186 IonicContact OE1-CZ 3.56Å; E184-R186 PolarHBondContact OE1-N 3.02Å; E184-R186 VanDerWaalsContact OE1-N 3.13Å; E184-R186 IonicContact OE1-NE 2.77Å; E184-R186 PolarHBondContact OE1-NE 2.81Å; E184-R186 IonicContact OE1-NH2 3.96Å; E184-R186 PolarHBondContact OE1-NH2 3.26Å; E184-R186 IonicContact OE2-CZ 3.53Å; E184-R186 IonicContact OE2-NE 3.54Å; E184-R186 IonicContact OE2-NH2 3.5Å; E184-R186 PolarHBondContact OE2-NH2 3.41Å; R186-G216 WeakPolarHBondContact CD-O 3.38Å; R186-G216 PolarHBondContact NH1-O 2.9Å
187	P	96.8	Very high	93.9	Very high	27 Å²	27	56.2 Å²	56.2	18%	0.175	25%	0.251	C	S	.	.			trans	-68	142.6	175.1	-15.2	29.4	0	0	0	112	Y218 V219 Y247 F248 E249	P187-Y218 HydrophobicContact CB-CD1 3.98Å; P187-Y218 HydrophobicContact CB-CE1 4.36Å; P187-Y218 HydrophobicContact CG-CD1 3.97Å; P187-Y218 HydrophobicContact CG-CE1 4.01Å; P187-V219 PolarHBondContact O-N 3.48Å; P187-Y247 HydrophobicContact CB-CE2 3.54Å; P187-Y247 WeakPolarHBondContact CB-OH 3.31Å; P187-Y247 WeakPolarHBondContact CG-OH 3.47Å; P187-F248 CarbonylContact C-O 3.59Å; P187-F248 VanDerWaalsContact CA-O 3.31Å; P187-F248 WeakPolarHBondContact CA-O 3.37Å; P187-E249 HydrophobicContact CB-CG 3.86Å; P187-E249 HydrophobicContact CG-CG 4.1Å
188	V	98	Very high	93.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.2	-175	-165.9	0	0	0	0	109.8	L180 L181 E184 I190 V219 A221 Y247 F248	L180-V188 HydrophobicContact CD2-CG1 4.09Å; L181-V188 HydrophobicContact CD2-CB 4.48Å; E184-V188 HydrophobicContact CB-CG2 4.08Å; E184-V188 HydrophobicContact CG-CG2 3.74Å; V188-I190 HydrophobicContact CG1-CD1 4.03Å; V188-I190 HydrophobicContact CG1-CG1 3.68Å; V188-V219 CarbonylContact C-O 3.59Å; V188-V219 VanDerWaalsContact CA-O 3.28Å; V188-V219 WeakPolarHBondContact CA-O 3.44Å; V188-V219 HydrophobicContact CG1-CB 4.21Å; V188-V219 HydrophobicContact CG1-CG1 4.16Å; V188-V219 HydrophobicContact CG2-CB 4.34Å; V188-A221 HydrophobicContact CG1-CB 4.47Å; V188-Y247 CarbonylContact O-C 3.54Å; V188-Y247 WeakPolarHBondContact O-CA 3.33Å; V188-F248 HydrophobicContact CB-CB 4.38Å; V188-F248 PolarHBondContact N-O 2.97Å; V188-F248 PolarHBondContact O-N 3.39Å
189	L	97.8	Very high	92.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117	170.1	-178.2	65.4	0	0	0	108.9	F207 V219 L220 A221 F245 Y247 I267 W270 L271	L189-F207 HydrophobicContact CD2-CE2 3.94Å; L189-F207 HydrophobicContact CG-CE2 4.11Å; L189-F207 HydrophobicContact CG-CZ 4.38Å; L189-V219 PolarHBondContact N-O 3.13Å; L189-L220 HydrophobicContact CB-CD1 4.47Å; L189-L220 HydrophobicContact CB-CG 4.29Å; L189-L220 HydrophobicContact CD2-CG 4.47Å; L189-L220 WeakPolarHBondContact O-CA 3.42Å; L189-A221 PolarHBondContact O-N 3.26Å; L189-F245 HydrophobicContact CD1-CB 4.25Å; L189-Y247 HydrophobicContact CB-CD2 4.42Å; L189-Y247 HydrophobicContact CD1-CD2 4.47Å; L189-I267 HydrophobicContact CD2-CG2 3.77Å; L189-W270 HydrophobicContact CD1-CZ3 4.29Å; L189-L271 HydrophobicContact CB-CD2 4.16Å; L189-L271 HydrophobicContact CD2-CD1 4.4Å; L189-L271 HydrophobicContact CD2-CD2 4.29Å
190	I	98.1	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.7	-174.3	-50.6	-172.1	0	0	0	109.2	I171 F177 L181 V188 F192 A221 M223 F245 C246 F248	I171-I190 HydrophobicContact CD1-CD1 4.24Å; I171-I190 HydrophobicContact CD1-CG2 4.32Å; F177-I190 HydrophobicContact CD2-CD1 3.94Å; F177-I190 HydrophobicContact CE2-CD1 3.59Å; L181-I190 HydrophobicContact CD2-CD1 4.12Å; V188-I190 HydrophobicContact CG1-CD1 4.03Å; V188-I190 HydrophobicContact CG1-CG1 3.68Å; I190-F192 HydrophobicContact CG2-CD1 4.18Å; I190-F192 HydrophobicContact CG2-CE1 3.94Å; I190-F192 HydrophobicContact CG2-CZ 4.36Å; I190-A221 WeakPolarHBondContact CA-O 3.34Å; I190-A221 HydrophobicContact CG1-CB 4.16Å; I190-A221 HydrophobicContact CG2-CB 4.42Å; I190-M223 HydrophobicContact CG2-CB 4.4Å; I190-F245 WeakPolarHBondContact O-CA 3.32Å; I190-C246 PolarHBondContact N-O 2.91Å; I190-C246 PolarHBondContact O-N 3.17Å; I190-F248 HydrophobicContact CB-CE2 4.2Å; I190-F248 HydrophobicContact CD1-CD2 3.93Å; I190-F248 HydrophobicContact CD1-CE2 3.65Å; I190-F248 HydrophobicContact CD1-CZ 4.31Å; I190-F248 HydrophobicContact CG1-CD2 4.01Å; I190-F248 HydrophobicContact CG1-CE2 3.86Å
191	M	97.5	Very high	91.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.3	167.6	-174.6	172.2	58.5	0	0	109.8	W159 M203 Q204 F207 A221 M223 P243 F245	W159-M191 HydrophobicContact CE3-CE 4.27Å; W159-M191 HydrophobicContact CH2-CE 3.28Å; W159-M191 HydrophobicContact CZ2-CE 4.08Å; W159-M191 HydrophobicContact CZ3-CE 3.37Å; M191-M203 HydrophobicContact SD-CB 4.2Å; M191-Q204 HydrophobicContact CE-CG 3.92Å; M191-F207 HydrophobicContact CB-CE1 4.17Å; M191-F207 HydrophobicContact CB-CE2 4.17Å; M191-F207 HydrophobicContact CB-CZ 3.91Å; M191-A221 PolarHBondContact N-O 3.5Å; M191-M223 PolarHBondContact O-N 3.35Å; M191-P243 HydrophobicContact CG-CB 3.72Å; M191-P243 HydrophobicContact SD-CB 3.66Å; M191-P243 HydrophobicContact SD-CG 4.36Å; M191-F245 HydrophobicContact CB-CD1 3.72Å; M191-F245 HydrophobicContact CB-CE1 3.62Å; M191-F245 HydrophobicContact CG-CD1 3.88Å; M191-F245 HydrophobicContact CG-CE1 3.47Å; M191-F245 VanDerWaalsContact CG-CE1 3.47Å; M191-F245 HydrophobicContact CG-CZ 4.03Å; M191-F245 HydrophobicContact SD-CD1 4.44Å; M191-F245 HydrophobicContact SD-CE1 3.46Å; M191-F245 WeakPolarHBondContact SD-CE1 3.02Å; M191-F245 HydrophobicContact SD-CZ 3.63Å
192	F	97.3	Very high	91.5	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.9	165.1	-66	-49	0	0	0	109.6	F177 I190 M223 V225 Y237 V239 P243 T244 C246	F177-F192 HydrophobicContact CD2-CE1 4.36Å; F177-F192 HydrophobicContact CD2-CZ 4.47Å; F177-F192 AromaticContact CE2-CE1 3.96Å; F177-F192 HydrophobicContact CE2-CE1 3.96Å; F177-F192 AromaticContact CE2-CZ 3.65Å; F177-F192 HydrophobicContact CE2-CZ 3.65Å; F177-F192 HydrophobicContact CZ-CZ 4.09Å; I190-F192 HydrophobicContact CG2-CD1 4.18Å; I190-F192 HydrophobicContact CG2-CE1 3.94Å; I190-F192 HydrophobicContact CG2-CZ 4.36Å; F192-M223 WeakPolarHBondContact CA-O 3.41Å; F192-M223 HydrophobicContact CD1-CB 4Å; F192-M223 HydrophobicContact CD1-SD 4.48Å; F192-M223 HydrophobicContact CE1-CB 4.21Å; F192-M223 HydrophobicContact CE1-SD 3.95Å; F192-V225 HydrophobicContact CB-CG2 3.83Å; F192-V225 HydrophobicContact CD1-CG1 3.51Å; F192-V225 HydrophobicContact CD1-CG2 4.27Å; F192-V225 HydrophobicContact CE1-CG1 3.97Å; F192-V225 HydrophobicContact CG-CG1 4.31Å; F192-V225 HydrophobicContact CG-CG2 4.28Å; F192-Y237 HydrophobicContact CE2-CD2 4.36Å; F192-Y237 HydrophobicContact CE2-CG 4.28Å; F192-Y237 HydrophobicContact CZ-CD2 4.22Å; F192-V239 HydrophobicContact CB-CG1 4.34Å; F192-V239 HydrophobicContact CB-CG2 4.47Å; F192-V239 HydrophobicContact CD2-CG2 3.56Å; F192-V239 HydrophobicContact CE2-CG2 4.05Å; F192-V239 HydrophobicContact CG-CG2 4.24Å; F192-P243 WeakPolarHBondContact O-CA 3.35Å; F192-T244 WeakPolarHBondContact CB-O 3.42Å; F192-T244 PolarHBondContact N-O 2.86Å; F192-T244 PolarHBondContact O-N 3.13Å; F192-C246 HydrophobicContact CD2-CB 4.43Å; F192-C246 HydrophobicContact CE2-CB 4Å
193	Y	94.6	Very high	91.3	Very high	13 Å²	13	52.6 Å²	52.6	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	172.7	-174.4	73.9	-81.9	0	0	0	113.5	W159 M223 N224 V225	W159-Y193 HydrophobicContact CE3-CD1 4.13Å; W159-Y193 AromaticContact CE3-CE1 3.59Å; W159-Y193 HydrophobicContact CE3-CE1 3.59Å; W159-Y193 HydrophobicContact CE3-CE2 4.34Å; W159-Y193 AromaticContact CE3-CZ 3.71Å; W159-Y193 AromaticContact CZ3-CD1 4Å; W159-Y193 HydrophobicContact CZ3-CD1 4Å; W159-Y193 AromaticContact CZ3-CE1 3.77Å; W159-Y193 HydrophobicContact CZ3-CE1 3.77Å; Y193-M223 VanDerWaalsContact CD1-C 3.47Å; Y193-M223 WeakPolarHBondContact CD1-O 3.44Å; Y193-M223 PolarHBondContact N-O 2.87Å; Y193-N224 HydrophobicContact CE1-CB 4.22Å; Y193-N224 HydrophobicContact CE2-CB 4.13Å; Y193-N224 WeakPolarHBondContact O-CA 3.48Å; Y193-N224 PolarHBondContact O-OD1 3.22Å; Y193-V225 PolarHBondContact O-N 2.74Å; Y193-V225 VanDerWaalsContact O-N 3.14Å
194	A	88.9	Confident	91.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	22%	0.218	C	C	.	.			trans	-129	144	170.8	0	0	0	0	0	110.4	W196 C197 H226 Y242	A194-W196 HydrophobicContact CB-CD2 4.14Å; A194-W196 HydrophobicContact CB-CZ2 3.92Å; A194-W196 PolarHBondContact O-N 3.31Å; A194-C197 HydrophobicContact CB-CB 4.15Å; A194-C197 VanDerWaalsContact O-CB 3.25Å; A194-C197 WeakPolarHBondContact O-CB 3.43Å; A194-C197 PolarHBondContact O-N 3.13Å; A194-C197 VanDerWaalsContact O-N 3.1Å; A194-H226 HydrophobicContact CB-CB 3.77Å; A194-Y242 HydrophobicContact CB-CD1 4.45Å; A194-Y242 HydrophobicContact CB-CD2 3.65Å; A194-Y242 HydrophobicContact CB-CE2 3.9Å; A194-Y242 HydrophobicContact CB-CG 3.95Å
195	P	84.5	Confident	91.2	Very high	64 Å²	64	47.2 Å²	47.2	42%	0.416	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.4	-174.6	-23.1	35.6	0	0	0	115.2	K201 N224	P195-K201 WeakPolarHBondContact O-CE 3.48Å; P195-K201 PolarHBondContact O-NZ 2.63Å; P195-N224 WeakPolarHBondContact CD-OD1 3.21Å
196	W	78.9	Confident	91.3	Very high	154 Å²	154	40.4 Å²	40.4	58%	0.583	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.4	175.2	49.3	-102.1	0	0	0	113.5	A194 G198 H226 Y242	A194-W196 HydrophobicContact CB-CD2 4.14Å; A194-W196 HydrophobicContact CB-CZ2 3.92Å; A194-W196 PolarHBondContact O-N 3.31Å; W196-G198 PolarHBondContact O-N 2.92Å; W196-H226 AromaticContact CD1-CD2 3.65Å; W196-H226 AromaticContact CD1-NE2 3.59Å; W196-H226 AromaticContact NE1-CD2 3.16Å; W196-H226 PolarHBondContact NE1-CD2 3.26Å; W196-H226 AromaticContact NE1-CE1 3.33Å; W196-H226 PolarHBondContact NE1-CE1 2.84Å; W196-H226 VanDerWaalsContact NE1-CE1 3.33Å; W196-H226 AromaticContact NE1-CG 3.51Å; W196-H226 AromaticContact NE1-ND1 3.6Å; W196-H226 AromaticContact NE1-NE2 3.01Å; W196-H226 PolarHBondContact NE1-NE2 3.47Å; W196-Y242 AromaticContact CH2-CD2 3.73Å; W196-Y242 HydrophobicContact CH2-CD2 3.73Å; W196-Y242 HydrophobicContact CH2-CE2 4.05Å; W196-Y242 AromaticContact CZ2-CD2 3.95Å; W196-Y242 HydrophobicContact CZ2-CD2 3.95Å; W196-Y242 AromaticContact CZ2-CE2 3.89Å; W196-Y242 HydrophobicContact CZ2-CE2 3.89Å
197	C	83.8	Confident	91.3	Very high	7 Å²	7	36 Å²	36	5%	0.047	18%	0.183	C	C	.	.			trans	-67.8	111	-174.3	165.5	0	0	0	0	112.4	A194 V199 C200 K201 Y242	A194-C197 HydrophobicContact CB-CB 4.15Å; A194-C197 VanDerWaalsContact O-CB 3.25Å; A194-C197 WeakPolarHBondContact O-CB 3.43Å; A194-C197 PolarHBondContact O-N 3.13Å; A194-C197 VanDerWaalsContact O-N 3.1Å; C197-V199 PolarHBondContact O-N 3.29Å; C197-C200 HydrophobicContact CB-CB 3.67Å; C197-C200 WeakPolarHBondContact CB-SG 2.95Å; C197-C200 WeakPolarHBondContact O-CB 3.2Å; C197-C200 PolarHBondContact O-N 3.11Å; C197-C200 WeakPolarHBondContact SG-CB 3.08Å; C197-C200 PolarHBondContact SG-N 3.38Å; C197-C200 CovalentContact SG-SG 2.04Å; C197-C200 PolarHBondContact SG-SG 3.19Å; C197-K201 PolarHBondContact O-N 3.4Å; C197-K201 VanDerWaalsContact O-N 3.17Å; C197-Y242 VanDerWaalsContact SG-C 3.5Å; C197-Y242 VanDerWaalsContact SG-CB 3.56Å; C197-Y242 PolarHBondContact SG-O 2.04Å
198	G	81.7	Confident	91.3	Very high	40 Å²	40	35.1 Å²	35.1	41%	0.412	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-34.1	-179.1	0	0	0	0	0	114.5	W196 R202	W196-G198 PolarHBondContact O-N 2.92Å; G198-R202 PolarHBondContact O-N 2.76Å
199	V	82	Confident	91.2	Very high	48 Å²	48	39.9 Å²	39.9	29%	0.291	20%	0.199	S	C	.	.	H	α-helix	trans	-66.4	-43.4	174.5	-175.9	0	0	0	0	110.3	C197 K201 R202 M203 P243	C197-V199 PolarHBondContact O-N 3.29Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.98Å; V199-R202 PolarHBondContact O-N 2.8Å; V199-R202 VanDerWaalsContact O-N 3.09Å; V199-M203 HydrophobicContact CG1-CG 4.39Å; V199-M203 PolarHBondContact O-N 3.07Å; V199-P243 HydrophobicContact CG1-CG 4.21Å
200	C	90.5	Very high	91.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-45.8	178.6	-52.5	0	0	0	0	111.2	C197 R202 M203 Q204 Y242 P243	C197-C200 HydrophobicContact CB-CB 3.67Å; C197-C200 WeakPolarHBondContact CB-SG 2.95Å; C197-C200 WeakPolarHBondContact O-CB 3.2Å; C197-C200 PolarHBondContact O-N 3.11Å; C197-C200 WeakPolarHBondContact SG-CB 3.08Å; C197-C200 PolarHBondContact SG-N 3.38Å; C197-C200 CovalentContact SG-SG 2.04Å; C197-C200 PolarHBondContact SG-SG 3.19Å; C200-R202 VanDerWaalsContact C-N 3.26Å; C200-R202 PolarHBondContact O-N 2.72Å; C200-M203 CarbonylContact O-C 3.59Å; C200-M203 PolarHBondContact O-N 2.66Å; C200-M203 VanDerWaalsContact O-N 3.1Å; C200-Q204 VanDerWaalsContact O-CG 3.29Å; C200-Q204 WeakPolarHBondContact O-CG 3.34Å; C200-Q204 PolarHBondContact O-N 3.11Å; C200-Y242 VanDerWaalsContact SG-C 3.6Å; C200-P243 VanDerWaalsContact SG-CD 3.57Å
201	K	89.2	Confident	91.1	Very high	96 Å²	96	40 Å²	40	42%	0.417	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-32.6	176.8	-70.7	176.6	-178.6	172.5	0	113.5	P195 C197 V199 P205	P195-K201 WeakPolarHBondContact O-CE 3.48Å; P195-K201 PolarHBondContact O-NZ 2.63Å; C197-K201 PolarHBondContact O-N 3.4Å; C197-K201 VanDerWaalsContact O-N 3.17Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.98Å; K201-P205 WeakPolarHBondContact O-CD 3.38Å
202	R	88	Confident	91	Very high	170 Å²	170	43 Å²	43	64%	0.642	22%	0.219	S	C	*	.	H	α-helix	trans	-77.2	-35.3	173.8	-64.4	-168.4	-58.1	-95.3	7.2	112.8	G198 V199 C200 P205	G198-R202 PolarHBondContact O-N 2.76Å; V199-R202 PolarHBondContact O-N 2.8Å; V199-R202 VanDerWaalsContact O-N 3.09Å; C200-R202 VanDerWaalsContact C-N 3.26Å; C200-R202 PolarHBondContact O-N 2.72Å; R202-P205 WeakPolarHBondContact O-CD 3.45Å; R202-P205 WeakPolarHBondContact O-CG 3.39Å
203	M	91.1	Very high	91	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-73.7	-26.9	175.7	-69.7	-57	-64.7	0	0	113.2	M191 V199 C200 V206 F207 P243 F245 A262	M191-M203 HydrophobicContact SD-CB 4.2Å; V199-M203 HydrophobicContact CG1-CG 4.39Å; V199-M203 PolarHBondContact O-N 3.07Å; C200-M203 CarbonylContact O-C 3.59Å; C200-M203 PolarHBondContact O-N 2.66Å; C200-M203 VanDerWaalsContact O-N 3.1Å; M203-V206 WeakPolarHBondContact O-CB 3.34Å; M203-V206 PolarHBondContact O-N 3.45Å; M203-F207 VanDerWaalsContact O-CB 3.31Å; M203-F207 WeakPolarHBondContact O-CB 3.48Å; M203-F207 PolarHBondContact O-N 2.81Å; M203-P243 HydrophobicContact CG-CG 4.22Å; M203-F245 HydrophobicContact CB-CZ 4.25Å; M203-F245 HydrophobicContact CE-CE2 4.24Å; M203-F245 HydrophobicContact CE-CZ 3.77Å; M203-F245 HydrophobicContact CG-CZ 4.23Å; M203-A262 HydrophobicContact CE-CB 4.33Å
204	Q	94.1	Very high	91	Very high	30 Å²	30	47.4 Å²	47.4	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-51.4	-54.9	-179.4	-84	173	-23.7	0	0	114	W159 M191 C200 V206 F207 Q208	W159-Q204 HydrophobicContact CD2-CG 3.69Å; W159-Q204 VanDerWaalsContact CD2-NE2 3.35Å; W159-Q204 HydrophobicContact CE3-CG 4.09Å; W159-Q204 HydrophobicContact CG-CG 4.07Å; W159-Q204 VanDerWaalsContact CG-NE2 3.34Å; W159-Q204 HydrophobicContact CH2-CG 4.41Å; W159-Q204 HydrophobicContact CZ2-CB 4.43Å; W159-Q204 HydrophobicContact CZ2-CG 4.01Å; W159-Q204 HydrophobicContact CZ3-CG 4.41Å; M191-Q204 HydrophobicContact CE-CG 3.92Å; C200-Q204 VanDerWaalsContact O-CG 3.29Å; C200-Q204 WeakPolarHBondContact O-CG 3.34Å; C200-Q204 PolarHBondContact O-N 3.11Å; Q204-V206 PolarHBondContact O-N 2.65Å; Q204-F207 PolarHBondContact O-N 2.83Å; Q204-Q208 WeakPolarHBondContact O-CG 3.45Å; Q204-Q208 PolarHBondContact O-N 3.49Å; Q204-Q208 PolarHBondContact O-NE2 2.94Å
205	P	93.8	Very high	91.3	Very high	66 Å²	66	53.8 Å²	53.8	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-41.9	179	22.3	-33.4	0	0	0	112.7	K201 R202 F207 Q208 Q209	K201-P205 WeakPolarHBondContact O-CD 3.38Å; R202-P205 WeakPolarHBondContact O-CD 3.45Å; R202-P205 WeakPolarHBondContact O-CG 3.39Å; P205-F207 VanDerWaalsContact C-N 3.31Å; P205-F207 PolarHBondContact O-N 2.99Å; P205-Q208 PolarHBondContact O-N 3.32Å; P205-Q209 PolarHBondContact O-N 3.09Å
206	V	94.8	Very high	91.7	Very high	30 Å²	30	53 Å²	53	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-46.2	175.9	-177.4	0	0	0	0	111.2	M203 Q204 Q209 A210 A262 P264 I267	M203-V206 WeakPolarHBondContact O-CB 3.34Å; M203-V206 PolarHBondContact O-N 3.45Å; Q204-V206 PolarHBondContact O-N 2.65Å; V206-Q209 PolarHBondContact O-N 2.82Å; V206-A210 WeakPolarHBondContact O-CB 3.26Å; V206-A210 PolarHBondContact O-N 2.95Å; V206-A262 VanDerWaalsContact CG1-O 3.26Å; V206-A262 WeakPolarHBondContact CG1-O 3.48Å; V206-P264 HydrophobicContact CG1-CG 4.03Å; V206-I267 HydrophobicContact CG1-CD1 3.85Å
207	F	96.7	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-33.5	-177.9	-162.3	-98.9	0	0	0	112.6	W159 V168 L189 M191 M203 Q204 P205 A211 L220 A221 F245 I267	W159-F207 AromaticContact CH2-CD1 3.7Å; W159-F207 HydrophobicContact CH2-CD1 3.7Å; W159-F207 HydrophobicContact CH2-CE1 4.17Å; W159-F207 HydrophobicContact CZ2-CD1 4.02Å; V168-F207 HydrophobicContact CG1-CD1 4.44Å; V168-F207 HydrophobicContact CG1-CE1 4.32Å; V168-F207 HydrophobicContact CG2-CD1 4.34Å; L189-F207 HydrophobicContact CD2-CE2 3.94Å; L189-F207 HydrophobicContact CG-CE2 4.11Å; L189-F207 HydrophobicContact CG-CZ 4.38Å; M191-F207 HydrophobicContact CB-CE1 4.17Å; M191-F207 HydrophobicContact CB-CE2 4.17Å; M191-F207 HydrophobicContact CB-CZ 3.91Å; M203-F207 VanDerWaalsContact O-CB 3.31Å; M203-F207 WeakPolarHBondContact O-CB 3.48Å; M203-F207 PolarHBondContact O-N 2.81Å; Q204-F207 PolarHBondContact O-N 2.83Å; P205-F207 VanDerWaalsContact C-N 3.31Å; P205-F207 PolarHBondContact O-N 2.99Å; F207-A211 WeakPolarHBondContact O-CB 3.49Å; F207-A211 PolarHBondContact O-N 3.35Å; F207-L220 HydrophobicContact CD1-CB 4.3Å; F207-L220 HydrophobicContact CD1-CD2 4.21Å; F207-L220 HydrophobicContact CD2-CD2 3.93Å; F207-L220 HydrophobicContact CE1-CB 3.67Å; F207-L220 HydrophobicContact CE1-CD2 4.12Å; F207-L220 HydrophobicContact CE1-CG 4.12Å; F207-L220 HydrophobicContact CE2-CD2 3.8Å; F207-L220 HydrophobicContact CE2-CG 4.11Å; F207-L220 HydrophobicContact CG-CD2 4.15Å; F207-L220 HydrophobicContact CZ-CB 3.83Å; F207-L220 HydrophobicContact CZ-CD2 3.91Å; F207-L220 HydrophobicContact CZ-CG 3.81Å; F207-A221 WeakPolarHBondContact CE1-O 3.49Å; F207-F245 HydrophobicContact CD2-CD1 4.26Å; F207-F245 AromaticContact CD2-CE1 3.69Å; F207-F245 HydrophobicContact CD2-CE1 3.69Å; F207-F245 AromaticContact CE2-CD1 3.79Å; F207-F245 HydrophobicContact CE2-CD1 3.79Å; F207-F245 AromaticContact CE2-CE1 3.69Å; F207-F245 HydrophobicContact CE2-CE1 3.69Å; F207-I267 HydrophobicContact CD2-CD1 4.27Å
208	Q	95.8	Very high	93.2	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-44	173.6	-68	163.9	81.1	0	0	111.9	W159 N162 A165 V168 Q204 P205 A211 T212	W159-Q208 HydrophobicContact CZ2-CG 4.09Å; W159-Q208 VanDerWaalsContact NE1-CD 3.26Å; W159-Q208 VanDerWaalsContact NE1-NE2 3.11Å; N162-Q208 PolarHBondContact ND2-OE1 3.17Å; A165-Q208 VanDerWaalsContact CA-OE1 3.29Å; A165-Q208 HydrophobicContact CB-CG 3.9Å; A165-Q208 VanDerWaalsContact CB-OE1 3.26Å; V168-Q208 HydrophobicContact CG2-CB 4.34Å; V168-Q208 HydrophobicContact CG2-CG 3.89Å; Q204-Q208 WeakPolarHBondContact O-CG 3.45Å; Q204-Q208 PolarHBondContact O-N 3.49Å; Q204-Q208 PolarHBondContact O-NE2 2.94Å; P205-Q208 PolarHBondContact O-N 3.32Å; Q208-A211 WeakPolarHBondContact O-CB 3.32Å; Q208-A211 PolarHBondContact O-N 3.16Å; Q208-T212 PolarHBondContact O-N 2.96Å; Q208-T212 PolarHBondContact O-OG1 3.07Å
209	Q	95.7	Very high	94	Very high	103 Å²	103	53.6 Å²	53.6	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175	-176.3	175.8	-20.8	0	0	110.7	P205 V206 A211 T212 E213 P264	P205-Q209 PolarHBondContact O-N 3.09Å; V206-Q209 PolarHBondContact O-N 2.82Å; Q209-A211 VanDerWaalsContact C-N 3.29Å; Q209-A211 PolarHBondContact O-N 2.7Å; Q209-T212 WeakPolarHBondContact O-CB 3.42Å; Q209-T212 PolarHBondContact O-N 3.14Å; Q209-T212 VanDerWaalsContact O-N 3.08Å; Q209-E213 HydrophobicContact CG-CG 4.37Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.42Å; Q209-E213 PolarHBondContact NE2-OE1 3.34Å; Q209-E213 WeakPolarHBondContact O-CG 3.25Å; Q209-E213 PolarHBondContact O-N 3.12Å; Q209-P264 HydrophobicContact CB-CB 3.97Å; Q209-P264 HydrophobicContact CB-CG 3.82Å; Q209-P264 HydrophobicContact CG-CB 3.79Å; Q209-P264 HydrophobicContact CG-CG 3.82Å
210	A	96.6	Very high	94.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-39.8	174.2	0	0	0	0	0	112.1	V206 T212 E213 T214 L220 P264 I267	V206-A210 WeakPolarHBondContact O-CB 3.26Å; V206-A210 PolarHBondContact O-N 2.95Å; A210-T212 VanDerWaalsContact C-N 3.3Å; A210-T212 PolarHBondContact O-N 3.42Å; A210-E213 PolarHBondContact O-N 2.93Å; A210-T214 VanDerWaalsContact O-CB 3.32Å; A210-T214 WeakPolarHBondContact O-CB 3.3Å; A210-T214 WeakPolarHBondContact O-CG2 3.34Å; A210-T214 PolarHBondContact O-N 3.18Å; A210-T214 PolarHBondContact O-OG1 2.89Å; A210-L220 HydrophobicContact CB-CD2 3.8Å; A210-P264 HydrophobicContact CB-CB 4.29Å; A210-I267 HydrophobicContact CB-CB 3.9Å; A210-I267 HydrophobicContact CB-CD1 4.03Å; A210-I267 HydrophobicContact CB-CG2 3.91Å
211	A	97.4	Very high	95.1	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-36.7	176.8	0	0	0	0	0	112	V168 F207 Q208 Q209 K215 L220	V168-A211 HydrophobicContact CG2-CB 3.76Å; F207-A211 WeakPolarHBondContact O-CB 3.49Å; F207-A211 PolarHBondContact O-N 3.35Å; Q208-A211 WeakPolarHBondContact O-CB 3.32Å; Q208-A211 PolarHBondContact O-N 3.16Å; Q209-A211 VanDerWaalsContact C-N 3.29Å; Q209-A211 PolarHBondContact O-N 2.7Å; A211-K215 WeakPolarHBondContact O-CA 3.45Å; A211-K215 WeakPolarHBondContact O-CB 3.45Å; A211-K215 PolarHBondContact O-N 3.43Å; A211-K215 VanDerWaalsContact O-N 3.12Å; A211-L220 HydrophobicContact CB-CB 3.68Å; A211-L220 HydrophobicContact CB-CD2 4.11Å; A211-L220 HydrophobicContact CB-CG 4.4Å
212	T	96.6	Very high	95.5	Very high	63 Å²	63	46.8 Å²	46.8	39%	0.387	23%	0.232	S	C	.	.	H	α-helix	trans	-69.5	-45.9	175.4	-51.9	0	0	0	0	111.5	Q208 Q209 A210 T214 K215	Q208-T212 PolarHBondContact O-N 2.96Å; Q208-T212 PolarHBondContact O-OG1 3.07Å; Q209-T212 WeakPolarHBondContact O-CB 3.42Å; Q209-T212 PolarHBondContact O-N 3.14Å; Q209-T212 VanDerWaalsContact O-N 3.08Å; A210-T212 VanDerWaalsContact C-N 3.3Å; A210-T212 PolarHBondContact O-N 3.42Å; T212-T214 PolarHBondContact O-N 2.83Å; T212-K215 VanDerWaalsContact O-CB 3.28Å; T212-K215 WeakPolarHBondContact O-CB 3.46Å; T212-K215 PolarHBondContact O-N 2.99Å
213	E	95.4	Very high	95.9	Very high	98 Å²	98	38.7 Å²	38.7	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-67.8	-32.2	179.5	-71.8	175.1	-171.7	0	0	113.3	Q209 A210	Q209-E213 HydrophobicContact CG-CG 4.37Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.42Å; Q209-E213 PolarHBondContact NE2-OE1 3.34Å; Q209-E213 WeakPolarHBondContact O-CG 3.25Å; Q209-E213 PolarHBondContact O-N 3.12Å; A210-E213 PolarHBondContact O-N 2.93Å
214	T	96.1	Very high	96.1	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.049	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.3	-179.4	59.6	0	0	0	0	114	A210 T212 G216 K217 Y218 L220 A268 L271	A210-T214 VanDerWaalsContact O-CB 3.32Å; A210-T214 WeakPolarHBondContact O-CB 3.3Å; A210-T214 WeakPolarHBondContact O-CG2 3.34Å; A210-T214 PolarHBondContact O-N 3.18Å; A210-T214 PolarHBondContact O-OG1 2.89Å; T212-T214 PolarHBondContact O-N 2.83Å; T214-G216 PolarHBondContact O-N 3.5Å; T214-K217 PolarHBondContact O-N 3.48Å; T214-K217 VanDerWaalsContact O-N 3.13Å; T214-Y218 HydrophobicContact CG2-CD2 4.28Å; T214-Y218 PolarHBondContact O-N 2.81Å; T214-L220 WeakPolarHBondContact OG1-CD1 3.26Å; T214-A268 HydrophobicContact CG2-CB 3.58Å; T214-L271 HydrophobicContact CG2-CD1 4.05Å
215	K	95	Very high	96.1	Very high	134 Å²	134	39 Å²	39	58%	0.583	20%	0.204	S	C	*	.	B	Isolated β-bridge	trans	-50	135.4	-172.9	-174.1	173.7	-179.1	170.6	0	112.5	D167 A211 T212 K217	D167-K215 WeakPolarHBondContact OD1-CD 3.44Å; D167-K215 WeakPolarHBondContact OD1-CE 3.44Å; D167-K215 IonicContact OD1-NZ 2.7Å; D167-K215 PolarHBondContact OD1-NZ 3Å; D167-K215 IonicContact OD2-NZ 2.75Å; A211-K215 WeakPolarHBondContact O-CA 3.45Å; A211-K215 WeakPolarHBondContact O-CB 3.45Å; A211-K215 PolarHBondContact O-N 3.43Å; A211-K215 VanDerWaalsContact O-N 3.12Å; T212-K215 VanDerWaalsContact O-CB 3.28Å; T212-K215 WeakPolarHBondContact O-CB 3.46Å; T212-K215 PolarHBondContact O-N 2.99Å; K215-K217 PolarHBondContact O-N 2.97Å
216	G	93.3	Very high	96	Very high	47 Å²	47	40 Å²	40	49%	0.485	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-36.7	-179.6	0	0	0	0	0	113.5	R186 T214	R186-G216 WeakPolarHBondContact CD-O 3.38Å; R186-G216 PolarHBondContact NH1-O 2.9Å; T214-G216 PolarHBondContact O-N 3.5Å
217	K	96.1	Very high	95.8	Very high	160 Å²	160	40.6 Å²	40.6	70%	0.696	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-42.1	178.1	-64.6	178.5	-178.6	176.1	0	112.7	T214 K215	T214-K217 PolarHBondContact O-N 3.48Å; T214-K217 VanDerWaalsContact O-N 3.13Å; K215-K217 PolarHBondContact O-N 2.97Å
218	Y	97.3	Very high	95.5	Very high	46 Å²	46	44 Å²	44	18%	0.18	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-125.8	165.7	-178.5	-57	-87.1	0	0	0	110	P187 T214 L271	P187-Y218 HydrophobicContact CB-CD1 3.98Å; P187-Y218 HydrophobicContact CB-CE1 4.36Å; P187-Y218 HydrophobicContact CG-CD1 3.97Å; P187-Y218 HydrophobicContact CG-CE1 4.01Å; T214-Y218 HydrophobicContact CG2-CD2 4.28Å; T214-Y218 PolarHBondContact O-N 2.81Å; Y218-L271 HydrophobicContact CD1-CB 4.04Å; Y218-L271 HydrophobicContact CD1-CD2 4Å; Y218-L271 HydrophobicContact CD1-CG 4.44Å; Y218-L271 HydrophobicContact CD2-CB 4.34Å; Y218-L271 HydrophobicContact CE1-CB 3.89Å; Y218-L271 HydrophobicContact CE1-CD2 4.44Å; Y218-L271 WeakPolarHBondContact CE1-O 3.11Å; Y218-L271 HydrophobicContact CE2-CB 4.22Å; Y218-L271 HydrophobicContact CG-CB 4.27Å; Y218-L271 HydrophobicContact CG-CD1 4.3Å; Y218-L271 HydrophobicContact CG-CD2 4.47Å; Y218-L271 PolarHBondContact OH-O 2.89Å
219	V	97.8	Very high	95.3	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.7	170.3	178.7	0	0	0	0	109.4	V169 E184 P187 V188 L189	V169-V219 HydrophobicContact CB-CG1 4.21Å; V169-V219 HydrophobicContact CG2-CG1 3.6Å; E184-V219 HydrophobicContact CG-CB 4.43Å; E184-V219 HydrophobicContact CG-CG2 3.79Å; E184-V219 WeakPolarHBondContact OE2-CG2 3.41Å; P187-V219 PolarHBondContact O-N 3.48Å; V188-V219 CarbonylContact C-O 3.59Å; V188-V219 VanDerWaalsContact CA-O 3.28Å; V188-V219 WeakPolarHBondContact CA-O 3.44Å; V188-V219 HydrophobicContact CG1-CB 4.21Å; V188-V219 HydrophobicContact CG1-CG1 4.16Å; V188-V219 HydrophobicContact CG2-CB 4.34Å; L189-V219 PolarHBondContact N-O 3.13Å
220	L	98.2	Very high	95.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	170.5	-86.5	70.2	0	0	0	108.7	V168 V169 L189 F207 A210 A211 T214 I267 L271	V168-L220 WeakPolarHBondContact CA-O 3.26Å; V169-L220 PolarHBondContact N-O 3Å; L189-L220 HydrophobicContact CB-CD1 4.47Å; L189-L220 HydrophobicContact CB-CG 4.29Å; L189-L220 HydrophobicContact CD2-CG 4.47Å; L189-L220 WeakPolarHBondContact O-CA 3.42Å; F207-L220 HydrophobicContact CD1-CB 4.3Å; F207-L220 HydrophobicContact CD1-CD2 4.21Å; F207-L220 HydrophobicContact CD2-CD2 3.93Å; F207-L220 HydrophobicContact CE1-CB 3.67Å; F207-L220 HydrophobicContact CE1-CD2 4.12Å; F207-L220 HydrophobicContact CE1-CG 4.12Å; F207-L220 HydrophobicContact CE2-CD2 3.8Å; F207-L220 HydrophobicContact CE2-CG 4.11Å; F207-L220 HydrophobicContact CG-CD2 4.15Å; F207-L220 HydrophobicContact CZ-CB 3.83Å; F207-L220 HydrophobicContact CZ-CD2 3.91Å; F207-L220 HydrophobicContact CZ-CG 3.81Å; A210-L220 HydrophobicContact CB-CD2 3.8Å; A211-L220 HydrophobicContact CB-CB 3.68Å; A211-L220 HydrophobicContact CB-CD2 4.11Å; A211-L220 HydrophobicContact CB-CG 4.4Å; T214-L220 WeakPolarHBondContact OG1-CD1 3.26Å; L220-I267 HydrophobicContact CD2-CG2 4.17Å; L220-L271 HydrophobicContact CD1-CD1 3.81Å
221	A	98	Very high	95	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.8	-174.5	0	0	0	0	0	112.4	V169 I171 L180 V188 L189 I190 M191 F207	V169-A221 HydrophobicContact CB-CB 3.97Å; V169-A221 HydrophobicContact CG1-CB 4.49Å; V169-A221 CarbonylContact O-C 3.56Å; V169-A221 WeakPolarHBondContact O-CA 3.07Å; V169-A221 VanDerWaalsContact O-CB 3.25Å; V169-A221 WeakPolarHBondContact O-CB 3.36Å; I171-A221 HydrophobicContact CD1-CB 3.87Å; I171-A221 HydrophobicContact CG1-CB 4.33Å; L180-A221 HydrophobicContact CD2-CB 4.24Å; V188-A221 HydrophobicContact CG1-CB 4.47Å; L189-A221 PolarHBondContact O-N 3.26Å; I190-A221 WeakPolarHBondContact CA-O 3.34Å; I190-A221 HydrophobicContact CG1-CB 4.16Å; I190-A221 HydrophobicContact CG2-CB 4.42Å; M191-A221 PolarHBondContact N-O 3.5Å; F207-A221 WeakPolarHBondContact CE1-O 3.49Å
222	G	97.4	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.1	177.4	0	0	0	0	0	111.2	V169 I171	V169-G222 PolarHBondContact O-N 3.36Å; I171-G222 PolarHBondContact N-O 3.16Å
223	M	97	Very high	94.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.1	174.8	-169.3	175.6	-179.5	0	0	111.5	I171 F177 I190 M191 F192 Y193 V225 F230 L233	I171-M223 HydrophobicContact CB-CB 4.01Å; I171-M223 HydrophobicContact CB-CG 4.02Å; I171-M223 HydrophobicContact CB-SD 4.31Å; I171-M223 HydrophobicContact CG2-CE 4.26Å; I171-M223 HydrophobicContact CG2-CG 4.07Å; I171-M223 HydrophobicContact CG2-SD 3.79Å; F177-M223 HydrophobicContact CB-CE 4.36Å; F177-M223 HydrophobicContact CB-SD 4.03Å; F177-M223 HydrophobicContact CD2-SD 3.93Å; F177-M223 HydrophobicContact CG-SD 4.21Å; I190-M223 HydrophobicContact CG2-CB 4.4Å; M191-M223 PolarHBondContact O-N 3.35Å; F192-M223 WeakPolarHBondContact CA-O 3.41Å; F192-M223 HydrophobicContact CD1-CB 4Å; F192-M223 HydrophobicContact CD1-SD 4.48Å; F192-M223 HydrophobicContact CE1-CB 4.21Å; F192-M223 HydrophobicContact CE1-SD 3.95Å; Y193-M223 VanDerWaalsContact CD1-C 3.47Å; Y193-M223 WeakPolarHBondContact CD1-O 3.44Å; Y193-M223 PolarHBondContact N-O 2.87Å; M223-V225 HydrophobicContact CB-CG1 4.4Å; M223-V225 HydrophobicContact CE-CG1 4.26Å; M223-V225 HydrophobicContact CG-CG1 3.84Å; M223-V225 PolarHBondContact O-N 3.3Å; M223-V225 HydrophobicContact SD-CG1 4.01Å; M223-F230 HydrophobicContact CE-CD1 3.69Å; M223-F230 HydrophobicContact CE-CE1 3.46Å; M223-F230 VanDerWaalsContact CE-CE1 3.46Å; M223-F230 HydrophobicContact CE-CG 4.4Å; M223-F230 HydrophobicContact CE-CZ 4.01Å; M223-L233 HydrophobicContact CE-CD1 3.68Å; M223-L233 HydrophobicContact SD-CD1 4.24Å
224	N	94.2	Very high	94.6	Very high	42 Å²	42	45.8 Å²	45.8	23%	0.225	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	103.1	172.6	172.3	20.4	0	0	0	109.4	Y193 P195 H226 F230	Y193-N224 HydrophobicContact CE1-CB 4.22Å; Y193-N224 HydrophobicContact CE2-CB 4.13Å; Y193-N224 WeakPolarHBondContact O-CA 3.48Å; Y193-N224 PolarHBondContact O-OD1 3.22Å; P195-N224 WeakPolarHBondContact CD-OD1 3.21Å; N224-H226 WeakPolarHBondContact OD1-CB 3.41Å; N224-H226 PolarHBondContact OD1-N 2.88Å; N224-F230 WeakPolarHBondContact O-CE2 3.29Å
225	V	95.3	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.			trans	-103	11	179.5	-59.2	0	0	0	0	113.1	F192 Y193 M223 P227 F230 K234 V239 Y242	F192-V225 HydrophobicContact CB-CG2 3.83Å; F192-V225 HydrophobicContact CD1-CG1 3.51Å; F192-V225 HydrophobicContact CD1-CG2 4.27Å; F192-V225 HydrophobicContact CE1-CG1 3.97Å; F192-V225 HydrophobicContact CG-CG1 4.31Å; F192-V225 HydrophobicContact CG-CG2 4.28Å; Y193-V225 PolarHBondContact O-N 2.74Å; Y193-V225 VanDerWaalsContact O-N 3.14Å; M223-V225 HydrophobicContact CB-CG1 4.4Å; M223-V225 HydrophobicContact CE-CG1 4.26Å; M223-V225 HydrophobicContact CG-CG1 3.84Å; M223-V225 PolarHBondContact O-N 3.3Å; M223-V225 HydrophobicContact SD-CG1 4.01Å; V225-P227 VanDerWaalsContact C-CD 3.49Å; V225-F230 HydrophobicContact CB-CB 3.89Å; V225-F230 HydrophobicContact CB-CD2 4.4Å; V225-F230 HydrophobicContact CB-CG 4.33Å; V225-F230 HydrophobicContact CG1-CB 4.19Å; V225-F230 HydrophobicContact CG1-CG 4.35Å; V225-K234 HydrophobicContact CB-CD 4.28Å; V225-K234 HydrophobicContact CB-CG 4.16Å; V225-K234 HydrophobicContact CG2-CD 4.02Å; V225-K234 HydrophobicContact CG2-CG 3.89Å; V225-K234 WeakPolarHBondContact O-CD 3.11Å; V225-K234 WeakPolarHBondContact O-CE 3.21Å; V225-K234 PolarHBondContact O-NZ 3.06Å; V225-V239 HydrophobicContact CG2-CG1 4.39Å; V225-Y242 HydrophobicContact CG2-CE1 3.79Å
226	H	91.9	Very high	94.3	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.407	28%	0.281	S	S	.	.			trans	-55.9	-42.5	176.4	176	28.6	0	0	0	113.9	A194 W196 N224 K234	A194-H226 HydrophobicContact CB-CB 3.77Å; W196-H226 AromaticContact CD1-CD2 3.65Å; W196-H226 AromaticContact CD1-NE2 3.59Å; W196-H226 AromaticContact NE1-CD2 3.16Å; W196-H226 PolarHBondContact NE1-CD2 3.26Å; W196-H226 AromaticContact NE1-CE1 3.33Å; W196-H226 PolarHBondContact NE1-CE1 2.84Å; W196-H226 VanDerWaalsContact NE1-CE1 3.33Å; W196-H226 AromaticContact NE1-CG 3.51Å; W196-H226 AromaticContact NE1-ND1 3.6Å; W196-H226 AromaticContact NE1-NE2 3.01Å; W196-H226 PolarHBondContact NE1-NE2 3.47Å; N224-H226 WeakPolarHBondContact OD1-CB 3.41Å; N224-H226 PolarHBondContact OD1-N 2.88Å; H226-K234 PolarHBondContact O-NZ 2.96Å
227	P	90.7	Very high	94.3	Very high	42 Å²	42	50.3 Å²	50.3	27%	0.273	26%	0.262	S	S	.	.	S	Bend	trans	-55.1	149.1	176.1	-27.6	36.6	0	0	0	114	V225 E229 F230 K234	V225-P227 VanDerWaalsContact C-CD 3.49Å; P227-E229 HydrophobicContact CB-CG 4.04Å; P227-E229 VanDerWaalsContact CB-OE1 3.31Å; P227-E229 WeakPolarHBondContact CB-OE1 3.47Å; P227-E229 PolarHBondContact O-N 2.84Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.09Å; P227-F230 HydrophobicContact CG-CD2 4.2Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 PolarHBondContact O-N 2.75Å; P227-K234 PolarHBondContact O-NZ 2.9Å
228	A	88.9	Confident	93.9	Very high	72 Å²	72	46.8 Å²	46.8	60%	0.595	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.4	-178.8	0	0	0	0	0	113.4	F230 D231	A228-F230 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact O-N 3.08Å; A228-D231 WeakPolarHBondContact CA-OD1 3.49Å; A228-D231 VanDerWaalsContact O-CB 3.3Å; A228-D231 WeakPolarHBondContact O-CB 3.22Å; A228-D231 PolarHBondContact O-N 3.27Å
229	E	92	Very high	93.5	Very high	143 Å²	143	45.4 Å²	45.4	67%	0.668	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.7	-20.5	174.4	73.5	-155.4	142.2	0	0	113	P227	P227-E229 HydrophobicContact CB-CG 4.04Å; P227-E229 VanDerWaalsContact CB-OE1 3.31Å; P227-E229 WeakPolarHBondContact CB-OE1 3.47Å; P227-E229 PolarHBondContact O-N 2.84Å
230	F	95.3	Very high	92.8	Very high	12 Å²	12	53.9 Å²	53.9	5%	0.053	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-98.9	11.4	176.7	-53.4	-61.4	0	0	0	113.8	M223 N224 V225 P227 A228 G232 L233 K234	M223-F230 HydrophobicContact CE-CD1 3.69Å; M223-F230 HydrophobicContact CE-CE1 3.46Å; M223-F230 VanDerWaalsContact CE-CE1 3.46Å; M223-F230 HydrophobicContact CE-CG 4.4Å; M223-F230 HydrophobicContact CE-CZ 4.01Å; N224-F230 WeakPolarHBondContact O-CE2 3.29Å; V225-F230 HydrophobicContact CB-CB 3.89Å; V225-F230 HydrophobicContact CB-CD2 4.4Å; V225-F230 HydrophobicContact CB-CG 4.33Å; V225-F230 HydrophobicContact CG1-CB 4.19Å; V225-F230 HydrophobicContact CG1-CG 4.35Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.09Å; P227-F230 HydrophobicContact CG-CD2 4.2Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 PolarHBondContact O-N 2.75Å; A228-F230 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact O-N 3.08Å; F230-G232 PolarHBondContact O-N 3.32Å; F230-L233 HydrophobicContact CD1-CD1 3.9Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.12Å; F230-K234 WeakPolarHBondContact O-CE 3.46Å; F230-K234 WeakPolarHBondContact O-CG 3.31Å; F230-K234 PolarHBondContact O-N 3.29Å
231	D	91.2	Very high	92.2	Very high	86 Å²	86	55.3 Å²	55.3	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-57.8	-36.7	177.9	-71.7	-7.9	0	0	0	111.8	A228 K234 Q235	A228-D231 WeakPolarHBondContact CA-OD1 3.49Å; A228-D231 VanDerWaalsContact O-CB 3.3Å; A228-D231 WeakPolarHBondContact O-CB 3.22Å; A228-D231 PolarHBondContact O-N 3.27Å; D231-K234 VanDerWaalsContact CA-CE 3.47Å; D231-K234 PolarHBondContact O-N 3.37Å; D231-K234 WeakPolarHBondContact OD1-CE 3.33Å; D231-K234 IonicContact OD1-NZ 2.8Å; D231-K234 PolarHBondContact OD1-NZ 3.5Å; D231-Q235 PolarHBondContact O-N 3.36Å
232	G	94.3	Very high	91.6	Very high	45 Å²	45	58 Å²	58	46%	0.464	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-49.3	171.6	0	0	0	0	0	113.2	F230 K234 Q235 E236	F230-G232 PolarHBondContact O-N 3.32Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.31Å; G232-Q235 PolarHBondContact O-N 3.24Å; G232-E236 WeakPolarHBondContact O-CB 3.26Å; G232-E236 PolarHBondContact O-N 2.95Å
233	L	94.4	Very high	91.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-38	175.8	-70.9	178.9	0	0	0	112.4	E174 F177 M223 F230 Q235 E236 Y237	E174-L233 HydrophobicContact CB-CD1 4.07Å; E174-L233 HydrophobicContact CG-CD1 4.03Å; E174-L233 HydrophobicContact CG-CD2 4.13Å; E174-L233 HydrophobicContact CG-CG 4.23Å; F177-L233 HydrophobicContact CD1-CD1 4.4Å; F177-L233 HydrophobicContact CD1-CD2 3.88Å; F177-L233 HydrophobicContact CE1-CD2 3.73Å; F177-L233 HydrophobicContact CZ-CD2 4.47Å; M223-L233 HydrophobicContact CE-CD1 3.68Å; M223-L233 HydrophobicContact SD-CD1 4.24Å; F230-L233 HydrophobicContact CD1-CD1 3.9Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-L233 VanDerWaalsContact O-N 3.12Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 3.01Å; L233-E236 PolarHBondContact O-N 2.75Å; L233-Y237 HydrophobicContact CD2-CD2 4.29Å; L233-Y237 HydrophobicContact CD2-CE2 3.85Å; L233-Y237 WeakPolarHBondContact O-CD2 3.39Å; L233-Y237 PolarHBondContact O-N 2.92Å
234	K	92.5	Very high	91.3	Very high	26 Å²	26	58.7 Å²	58.7	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-34.1	177.5	-72.6	175.2	-65.2	-152.4	0	111.6	V225 H226 P227 F230 D231 G232 N238 V239 Y242	V225-K234 HydrophobicContact CB-CD 4.28Å; V225-K234 HydrophobicContact CB-CG 4.16Å; V225-K234 HydrophobicContact CG2-CD 4.02Å; V225-K234 HydrophobicContact CG2-CG 3.89Å; V225-K234 WeakPolarHBondContact O-CD 3.11Å; V225-K234 WeakPolarHBondContact O-CE 3.21Å; V225-K234 PolarHBondContact O-NZ 3.06Å; H226-K234 PolarHBondContact O-NZ 2.96Å; P227-K234 PolarHBondContact O-NZ 2.9Å; F230-K234 WeakPolarHBondContact O-CE 3.46Å; F230-K234 WeakPolarHBondContact O-CG 3.31Å; F230-K234 PolarHBondContact O-N 3.29Å; D231-K234 VanDerWaalsContact CA-CE 3.47Å; D231-K234 PolarHBondContact O-N 3.37Å; D231-K234 WeakPolarHBondContact OD1-CE 3.33Å; D231-K234 IonicContact OD1-NZ 2.8Å; D231-K234 PolarHBondContact OD1-NZ 3.5Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.31Å; K234-N238 CarbonylContact O-C 3.54Å; K234-N238 PolarHBondContact O-N 3.47Å; K234-N238 VanDerWaalsContact O-N 3.11Å; K234-V239 HydrophobicContact CB-CB 3.98Å; K234-V239 HydrophobicContact CG-CB 3.93Å; K234-V239 HydrophobicContact CG-CG1 4.11Å; K234-V239 HydrophobicContact CG-CG2 4.44Å; K234-V239 PolarHBondContact O-N 2.86Å; K234-Y242 WeakPolarHBondContact CD-OH 3.4Å
235	Q	91.5	Very high	91.3	Very high	169 Å²	169	56.8 Å²	56.8	79%	0.79	30%	0.303	S	S	*	.	H	α-helix	trans	-74.6	-46.6	172	-169	174.5	3.7	0	0	112.1	D231 G232 L233 Y237 N238	D231-Q235 PolarHBondContact O-N 3.36Å; G232-Q235 PolarHBondContact O-N 3.24Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 3.01Å; Q235-Y237 VanDerWaalsContact C-N 3.26Å; Q235-Y237 PolarHBondContact O-N 3.33Å; Q235-N238 PolarHBondContact O-N 3.16Å
236	E	93.7	Very high	91.3	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-56.4	-37.6	179.3	-172.4	178.4	162.7	0	0	112.4	R178 G232 L233	R178-E236 IonicContact CZ-OE1 2.6Å; R178-E236 IonicContact CZ-OE2 3.33Å; R178-E236 IonicContact NH1-OE1 2.58Å; R178-E236 PolarHBondContact NH1-OE1 3.28Å; R178-E236 IonicContact NH1-OE2 3.78Å; R178-E236 PolarHBondContact NH1-OE2 3.19Å; R178-E236 IonicContact NH2-OE1 2.59Å; R178-E236 IonicContact NH2-OE2 3.89Å; R178-E236 PolarHBondContact NH2-OE2 2.8Å; G232-E236 WeakPolarHBondContact O-CB 3.26Å; G232-E236 PolarHBondContact O-N 2.95Å; L233-E236 PolarHBondContact O-N 2.75Å
237	Y	92.1	Very high	91.6	Very high	23 Å²	23	52.7 Å²	52.7	9%	0.09	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	25.3	179.8	-56.6	-69.6	0	0	0	114	F177 F192 L233 Q235 V239 F248 F253 H256	F177-Y237 HydrophobicContact CE1-CD2 4.44Å; F177-Y237 AromaticContact CE1-CE2 3.49Å; F177-Y237 HydrophobicContact CE1-CE2 3.49Å; F177-Y237 VanDerWaalsContact CE1-CE2 3.49Å; F177-Y237 AromaticContact CE1-CZ 3.9Å; F177-Y237 HydrophobicContact CZ-CD2 4.02Å; F177-Y237 AromaticContact CZ-CE2 3.37Å; F177-Y237 HydrophobicContact CZ-CE2 3.37Å; F177-Y237 AromaticContact CZ-CZ 3.74Å; F192-Y237 HydrophobicContact CE2-CD2 4.36Å; F192-Y237 HydrophobicContact CE2-CG 4.28Å; F192-Y237 HydrophobicContact CZ-CD2 4.22Å; L233-Y237 HydrophobicContact CD2-CD2 4.29Å; L233-Y237 HydrophobicContact CD2-CE2 3.85Å; L233-Y237 WeakPolarHBondContact O-CD2 3.39Å; L233-Y237 PolarHBondContact O-N 2.92Å; Q235-Y237 VanDerWaalsContact C-N 3.26Å; Q235-Y237 PolarHBondContact O-N 3.33Å; Y237-V239 PolarHBondContact O-N 2.99Å; Y237-F248 HydrophobicContact CD1-CE1 4.2Å; Y237-F248 HydrophobicContact CD1-CZ 4.08Å; Y237-F248 AromaticContact CE1-CE1 3.63Å; Y237-F248 HydrophobicContact CE1-CE1 3.63Å; Y237-F248 AromaticContact CE1-CZ 3.94Å; Y237-F248 HydrophobicContact CE1-CZ 3.94Å; Y237-F248 AromaticContact CZ-CE1 3.98Å; Y237-F253 HydrophobicContact CD1-CB 4.08Å; Y237-F253 HydrophobicContact CD1-CD2 4.19Å; Y237-F253 HydrophobicContact CD1-CG 4.04Å; Y237-F253 HydrophobicContact CE1-CB 3.81Å; Y237-F253 HydrophobicContact CE1-CG 4.29Å; Y237-H256 PolarHBondContact O-CE1 3.48Å
238	N	87.9	Confident	91.8	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.9	167.3	-176.3	55.7	0	0	0	114.7	K234 Q235 K240	K234-N238 CarbonylContact O-C 3.54Å; K234-N238 PolarHBondContact O-N 3.47Å; K234-N238 VanDerWaalsContact O-N 3.11Å; Q235-N238 PolarHBondContact O-N 3.16Å; N238-K240 PolarHBondContact O-N 3.23Å; N238-K240 WeakPolarHBondContact OD1-CE 3.4Å
239	V	88.8	Confident	92.1	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	26%	0.258	C	S	.	.			trans	-77.3	82.8	-175	-177.6	0	0	0	0	110.3	F192 V225 K234 Y237 G241 Y242 T244	F192-V239 HydrophobicContact CB-CG1 4.34Å; F192-V239 HydrophobicContact CB-CG2 4.47Å; F192-V239 HydrophobicContact CD2-CG2 3.56Å; F192-V239 HydrophobicContact CE2-CG2 4.05Å; F192-V239 HydrophobicContact CG-CG2 4.24Å; V225-V239 HydrophobicContact CG2-CG1 4.39Å; K234-V239 HydrophobicContact CB-CB 3.98Å; K234-V239 HydrophobicContact CG-CB 3.93Å; K234-V239 HydrophobicContact CG-CG1 4.11Å; K234-V239 HydrophobicContact CG-CG2 4.44Å; K234-V239 PolarHBondContact O-N 2.86Å; Y237-V239 PolarHBondContact O-N 2.99Å; V239-G241 VanDerWaalsContact C-N 3.34Å; V239-Y242 HydrophobicContact CG1-CD1 4.36Å; V239-Y242 HydrophobicContact CG1-CE1 3.92Å; V239-T244 HydrophobicContact CG2-CG2 4.23Å
240	K	84.6	Confident	92.1	Very high	187 Å²	187	52.2 Å²	52.2	81%	0.813	26%	0.263	S	S	*	.			trans	-80.2	-9.9	179.8	-62.4	-174.5	-173.2	179.6	0	114.5	N238	N238-K240 PolarHBondContact O-N 3.23Å; N238-K240 WeakPolarHBondContact OD1-CE 3.4Å
241	G	84.1	Confident	91.8	Very high	32 Å²	32	53 Å²	53	33%	0.33	28%	0.275	S	S	.	.	S	Bend	trans	-170.1	-179.3	-175.6	0	0	0	0	0	113.2	V239 T244	V239-G241 VanDerWaalsContact C-N 3.34Å; G241-T244 PolarHBondContact O-OG1 3.3Å
242	Y	86.1	Confident	91.9	Very high	55 Å²	55	56.3 Å²	56.3	22%	0.216	29%	0.286	C	S	.	.	S	Bend	trans	-128.7	135.2	-174.6	-55.3	-58.9	0	0	0	112.3	A194 W196 C197 C200 V225 K234 V239	A194-Y242 HydrophobicContact CB-CD1 4.45Å; A194-Y242 HydrophobicContact CB-CD2 3.65Å; A194-Y242 HydrophobicContact CB-CE2 3.9Å; A194-Y242 HydrophobicContact CB-CG 3.95Å; W196-Y242 AromaticContact CH2-CD2 3.73Å; W196-Y242 HydrophobicContact CH2-CD2 3.73Å; W196-Y242 HydrophobicContact CH2-CE2 4.05Å; W196-Y242 AromaticContact CZ2-CD2 3.95Å; W196-Y242 HydrophobicContact CZ2-CD2 3.95Å; W196-Y242 AromaticContact CZ2-CE2 3.89Å; W196-Y242 HydrophobicContact CZ2-CE2 3.89Å; C197-Y242 VanDerWaalsContact SG-C 3.5Å; C197-Y242 VanDerWaalsContact SG-CB 3.56Å; C197-Y242 PolarHBondContact SG-O 2.04Å; C200-Y242 VanDerWaalsContact SG-C 3.6Å; V225-Y242 HydrophobicContact CG2-CE1 3.79Å; K234-Y242 WeakPolarHBondContact CD-OH 3.4Å; V239-Y242 HydrophobicContact CG1-CD1 4.36Å; V239-Y242 HydrophobicContact CG1-CE1 3.92Å
243	P	93.3	Very high	92	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.013	28%	0.279	C	S	.	.	S	Bend	cis	-70	155.3	-8.9	29.8	-31.4	0	0	0	110.9	M191 F192 V199 C200 M203 F245 Y260	M191-P243 HydrophobicContact CG-CB 3.72Å; M191-P243 HydrophobicContact SD-CB 3.66Å; M191-P243 HydrophobicContact SD-CG 4.36Å; F192-P243 WeakPolarHBondContact O-CA 3.35Å; V199-P243 HydrophobicContact CG1-CG 4.21Å; C200-P243 VanDerWaalsContact SG-CD 3.57Å; M203-P243 HydrophobicContact CG-CG 4.22Å; P243-F245 HydrophobicContact CB-CE2 4.02Å; P243-F245 HydrophobicContact CB-CZ 4.06Å; P243-F245 HydrophobicContact CG-CE2 3.75Å; P243-F245 HydrophobicContact CG-CZ 3.97Å; P243-Y260 HydrophobicContact CG-CD1 3.96Å; P243-Y260 HydrophobicContact CG-CE1 3.99Å; P243-Y260 VanDerWaalsContact O-CE1 3.32Å; P243-Y260 WeakPolarHBondContact O-CE1 3.41Å
244	T	93.7	Very high	91.9	Very high	14 Å²	14	61.1 Å²	61.1	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.2	161	-68.5	0	0	0	0	107.3	F192 V239 G241	F192-T244 WeakPolarHBondContact CB-O 3.42Å; F192-T244 PolarHBondContact N-O 2.86Å; F192-T244 PolarHBondContact O-N 3.13Å; V239-T244 HydrophobicContact CG2-CG2 4.23Å; G241-T244 PolarHBondContact O-OG1 3.3Å
245	F	95.5	Very high	91.7	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	177.7	-59.9	-85.7	0	0	0	109.9	L189 I190 M191 M203 F207 P243 H256 Y257 Y260	L189-F245 HydrophobicContact CD1-CB 4.25Å; I190-F245 WeakPolarHBondContact O-CA 3.32Å; M191-F245 HydrophobicContact CB-CD1 3.72Å; M191-F245 HydrophobicContact CB-CE1 3.62Å; M191-F245 HydrophobicContact CG-CD1 3.88Å; M191-F245 HydrophobicContact CG-CE1 3.47Å; M191-F245 VanDerWaalsContact CG-CE1 3.47Å; M191-F245 HydrophobicContact CG-CZ 4.03Å; M191-F245 HydrophobicContact SD-CD1 4.44Å; M191-F245 HydrophobicContact SD-CE1 3.46Å; M191-F245 WeakPolarHBondContact SD-CE1 3.02Å; M191-F245 HydrophobicContact SD-CZ 3.63Å; M203-F245 HydrophobicContact CB-CZ 4.25Å; M203-F245 HydrophobicContact CE-CE2 4.24Å; M203-F245 HydrophobicContact CE-CZ 3.77Å; M203-F245 HydrophobicContact CG-CZ 4.23Å; F207-F245 HydrophobicContact CD2-CD1 4.26Å; F207-F245 AromaticContact CD2-CE1 3.69Å; F207-F245 HydrophobicContact CD2-CE1 3.69Å; F207-F245 AromaticContact CE2-CD1 3.79Å; F207-F245 HydrophobicContact CE2-CD1 3.79Å; F207-F245 AromaticContact CE2-CE1 3.69Å; F207-F245 HydrophobicContact CE2-CE1 3.69Å; P243-F245 HydrophobicContact CB-CE2 4.02Å; P243-F245 HydrophobicContact CB-CZ 4.06Å; P243-F245 HydrophobicContact CG-CE2 3.75Å; P243-F245 HydrophobicContact CG-CZ 3.97Å; F245-H256 VanDerWaalsContact O-CA 3.26Å; F245-H256 WeakPolarHBondContact O-CA 3.13Å; F245-H256 PolarHBondContact O-ND1 3.1Å; F245-Y257 HydrophobicContact CB-CD1 4.27Å; F245-Y257 HydrophobicContact CD2-CD1 4.07Å; F245-Y257 WeakPolarHBondContact CD2-O 3.27Å; F245-Y257 HydrophobicContact CG-CD1 4.11Å; F245-Y257 PolarHBondContact O-N 3.47Å; F245-Y257 VanDerWaalsContact O-N 3.16Å; F245-Y260 HydrophobicContact CD2-CE1 4.24Å; F245-Y260 HydrophobicContact CE2-CD1 4.1Å; F245-Y260 HydrophobicContact CE2-CE1 4.04Å
246	C	95.8	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.5	179.4	-67.4	0	0	0	0	110.2	I190 F192 F248 F253 H256	I190-C246 PolarHBondContact N-O 2.91Å; I190-C246 PolarHBondContact O-N 3.17Å; F192-C246 HydrophobicContact CD2-CB 4.43Å; F192-C246 HydrophobicContact CE2-CB 4Å; C246-F248 HydrophobicContact CB-CD2 4.42Å; C246-F248 HydrophobicContact CB-CE2 3.5Å; C246-F248 HydrophobicContact CB-CZ 3.96Å; C246-F248 WeakPolarHBondContact O-CD2 3.32Å; C246-F248 WeakPolarHBondContact O-CE2 3.48Å; C246-F253 HydrophobicContact CB-CD2 3.97Å; C246-F253 HydrophobicContact CB-CE2 3.79Å; C246-H256 VanDerWaalsContact SG-CE1 3.56Å; C246-H256 PolarHBondContact SG-ND1 3.1Å; C246-H256 VanDerWaalsContact SG-ND1 3.36Å
247	Y	96.8	Very high	91.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.6	-179.1	179.2	-105.2	0	0	0	111.2	P187 V188 L189 E249 L254 H255 W270 L271 P274	P187-Y247 HydrophobicContact CB-CE2 3.54Å; P187-Y247 WeakPolarHBondContact CB-OH 3.31Å; P187-Y247 WeakPolarHBondContact CG-OH 3.47Å; V188-Y247 CarbonylContact O-C 3.54Å; V188-Y247 WeakPolarHBondContact O-CA 3.33Å; L189-Y247 HydrophobicContact CB-CD2 4.42Å; L189-Y247 HydrophobicContact CD1-CD2 4.47Å; Y247-E249 HydrophobicContact CE1-CG 3.78Å; Y247-E249 VanDerWaalsContact CE1-OE1 3.31Å; Y247-E249 WeakPolarHBondContact CE1-OE1 2.96Å; Y247-E249 PolarHBondContact OH-OE1 3.01Å; Y247-L254 HydrophobicContact CD1-CB 4.31Å; Y247-L254 HydrophobicContact CD1-CD1 4.38Å; Y247-L254 HydrophobicContact CE1-CD1 4.13Å; Y247-L254 PolarHBondContact O-N 3.24Å; Y247-H255 WeakPolarHBondContact CB-O 3.42Å; Y247-H255 PolarHBondContact N-O 3.11Å; Y247-W270 HydrophobicContact CD1-CH2 4.16Å; Y247-W270 HydrophobicContact CD1-CZ3 4.49Å; Y247-W270 HydrophobicContact CD2-CH2 4.18Å; Y247-W270 AromaticContact CD2-CZ3 3.78Å; Y247-W270 HydrophobicContact CD2-CZ3 3.78Å; Y247-W270 HydrophobicContact CE2-CZ3 4.37Å; Y247-W270 AromaticContact CG-CH2 3.73Å; Y247-W270 HydrophobicContact CG-CH2 3.73Å; Y247-W270 AromaticContact CG-CZ3 3.83Å; Y247-W270 HydrophobicContact CG-CZ3 3.83Å; Y247-L271 HydrophobicContact CD2-CD2 3.88Å; Y247-L271 HydrophobicContact CE2-CD2 3.6Å; Y247-P274 HydrophobicContact CD1-CB 3.93Å; Y247-P274 HydrophobicContact CD1-CG 4.42Å; Y247-P274 HydrophobicContact CE1-CB 3.52Å; Y247-P274 HydrophobicContact CE1-CG 3.54Å; Y247-P274 HydrophobicContact CE2-CB 4.44Å
248	F	96.5	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.2	-173.9	-58.2	-105.9	0	0	0	111.4	F177 L181 P187 V188 I190 Y237 C246 K252 F253	F177-F248 HydrophobicContact CE2-CZ 4.11Å; F177-F248 HydrophobicContact CZ-CE1 4.15Å; F177-F248 AromaticContact CZ-CZ 3.85Å; F177-F248 HydrophobicContact CZ-CZ 3.85Å; L181-F248 HydrophobicContact CD1-CD1 3.63Å; L181-F248 HydrophobicContact CD1-CE1 3.48Å; L181-F248 VanDerWaalsContact CD1-CE1 3.48Å; L181-F248 HydrophobicContact CD1-CG 4.39Å; L181-F248 HydrophobicContact CD1-CZ 4.15Å; L181-F248 HydrophobicContact CD2-CB 3.7Å; L181-F248 HydrophobicContact CD2-CD1 3.56Å; L181-F248 HydrophobicContact CD2-CD2 4.04Å; L181-F248 HydrophobicContact CD2-CE1 4.15Å; L181-F248 HydrophobicContact CD2-CG 3.52Å; L181-F248 HydrophobicContact CG-CD1 4.25Å; L181-F248 HydrophobicContact CG-CE1 4.48Å; P187-F248 CarbonylContact C-O 3.59Å; P187-F248 VanDerWaalsContact CA-O 3.31Å; P187-F248 WeakPolarHBondContact CA-O 3.37Å; V188-F248 HydrophobicContact CB-CB 4.38Å; V188-F248 PolarHBondContact N-O 2.97Å; V188-F248 PolarHBondContact O-N 3.39Å; I190-F248 HydrophobicContact CB-CE2 4.2Å; I190-F248 HydrophobicContact CD1-CD2 3.93Å; I190-F248 HydrophobicContact CD1-CE2 3.65Å; I190-F248 HydrophobicContact CD1-CZ 4.31Å; I190-F248 HydrophobicContact CG1-CD2 4.01Å; I190-F248 HydrophobicContact CG1-CE2 3.86Å; Y237-F248 HydrophobicContact CD1-CE1 4.2Å; Y237-F248 HydrophobicContact CD1-CZ 4.08Å; Y237-F248 AromaticContact CE1-CE1 3.63Å; Y237-F248 HydrophobicContact CE1-CE1 3.63Å; Y237-F248 AromaticContact CE1-CZ 3.94Å; Y237-F248 HydrophobicContact CE1-CZ 3.94Å; Y237-F248 AromaticContact CZ-CE1 3.98Å; C246-F248 HydrophobicContact CB-CD2 4.42Å; C246-F248 HydrophobicContact CB-CE2 3.5Å; C246-F248 HydrophobicContact CB-CZ 3.96Å; C246-F248 WeakPolarHBondContact O-CD2 3.32Å; C246-F248 WeakPolarHBondContact O-CE2 3.48Å; F248-K252 CarbonylContact C-O 3.57Å; F248-K252 WeakPolarHBondContact CA-O 3.08Å; F248-F253 HydrophobicContact CD1-CB 3.86Å; F248-F253 HydrophobicContact CE1-CB 3.69Å; F248-F253 HydrophobicContact CE1-CD2 4.35Å; F248-F253 HydrophobicContact CZ-CB 4.38Å; F248-F253 HydrophobicContact CZ-CD2 4.23Å
249	E	94.3	Very high	90.4	Very high	69 Å²	69	54 Å²	54	32%	0.322	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.3	167.8	-73.8	-176.8	-164.1	0	0	110.1	P187 Y247 G251 K252 L254	P187-E249 HydrophobicContact CB-CG 3.86Å; P187-E249 HydrophobicContact CG-CG 4.1Å; Y247-E249 HydrophobicContact CE1-CG 3.78Å; Y247-E249 VanDerWaalsContact CE1-OE1 3.31Å; Y247-E249 WeakPolarHBondContact CE1-OE1 2.96Å; Y247-E249 PolarHBondContact OH-OE1 3.01Å; E249-G251 PolarHBondContact O-N 2.95Å; E249-G251 VanDerWaalsContact O-N 3.12Å; E249-K252 PolarHBondContact N-O 3.24Å; E249-K252 PolarHBondContact O-N 2.89Å; E249-L254 HydrophobicContact CB-CD1 3.86Å; E249-L254 HydrophobicContact CG-CD1 3.85Å
250	K	91.6	Very high	89.8	Confident	178 Å²	178	58.7 Å²	58.7	77%	0.774	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.8	177.7	-56.9	172.7	-176.3	172.3	0	112	K252	K250-K252 VanDerWaalsContact C-N 3.28Å; K250-K252 PolarHBondContact O-N 3.1Å
251	G	89.9	Confident	89.2	Confident	30 Å²	30	52.9 Å²	52.9	31%	0.309	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-1.2	-177.5	0	0	0	0	0	117	L181 E249	L181-G251 WeakPolarHBondContact O-CA 3.26Å; L181-G251 PolarHBondContact O-N 2.93Å; E249-G251 PolarHBondContact O-N 2.95Å; E249-G251 VanDerWaalsContact O-N 3.12Å
252	K	93.5	Very high	89.1	Confident	155 Å²	155	51.7 Å²	51.7	67%	0.674	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.7	177.9	-61.8	-176	-180	-176.3	0	110.8	F248 E249 K250	F248-K252 CarbonylContact C-O 3.57Å; F248-K252 WeakPolarHBondContact CA-O 3.08Å; E249-K252 PolarHBondContact N-O 3.24Å; E249-K252 PolarHBondContact O-N 2.89Å; K250-K252 VanDerWaalsContact C-N 3.28Å; K250-K252 PolarHBondContact O-N 3.1Å
253	F	94.6	Very high	89.2	Confident	73 Å²	73	52.2 Å²	52.2	32%	0.32	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.3	165.6	171.7	-105.3	0	0	0	109.8	Y237 C246 F248 H255 H256	Y237-F253 HydrophobicContact CD1-CB 4.08Å; Y237-F253 HydrophobicContact CD1-CD2 4.19Å; Y237-F253 HydrophobicContact CD1-CG 4.04Å; Y237-F253 HydrophobicContact CE1-CB 3.81Å; Y237-F253 HydrophobicContact CE1-CG 4.29Å; C246-F253 HydrophobicContact CB-CD2 3.97Å; C246-F253 HydrophobicContact CB-CE2 3.79Å; F248-F253 HydrophobicContact CD1-CB 3.86Å; F248-F253 HydrophobicContact CE1-CB 3.69Å; F248-F253 HydrophobicContact CE1-CD2 4.35Å; F248-F253 HydrophobicContact CZ-CB 4.38Å; F248-F253 HydrophobicContact CZ-CD2 4.23Å; F253-H255 WeakPolarHBondContact CE2-O 3.25Å; F253-H256 AromaticContact CE2-ND1 3.97Å; F253-H256 AromaticContact CZ-CE1 3.66Å; F253-H256 AromaticContact CZ-ND1 3.88Å; F253-H256 AromaticContact CZ-NE2 3.78Å
254	L	92.5	Very high	89.2	Confident	73 Å²	73	53 Å²	53	38%	0.382	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-55.1	176.4	-63	-178.9	0	0	0	111.7	Y247 E249	Y247-L254 HydrophobicContact CD1-CB 4.31Å; Y247-L254 HydrophobicContact CD1-CD1 4.38Å; Y247-L254 HydrophobicContact CE1-CD1 4.13Å; Y247-L254 PolarHBondContact O-N 3.24Å; E249-L254 HydrophobicContact CB-CD1 3.86Å; E249-L254 HydrophobicContact CG-CD1 3.85Å
255	H	89.1	Confident	89	Confident	41 Å²	41	58.6 Å²	58.6	19%	0.19	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.4	-163.6	-58.8	-28.7	0	0	0	111.8	Y247 F253 W270 R275 P276	Y247-H255 WeakPolarHBondContact CB-O 3.42Å; Y247-H255 PolarHBondContact N-O 3.11Å; F253-H255 WeakPolarHBondContact CE2-O 3.25Å; H255-W270 HydrophobicContact CB-CH2 4.41Å; H255-W270 HydrophobicContact CB-CZ2 4.34Å; H255-R275 PolarHBondContact CD2-O 2.7Å; H255-P276 WeakPolarHBondContact ND1-CA 2.9Å
256	H	89.5	Confident	88.8	Confident	29 Å²	29	61.7 Å²	61.7	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	154.6	159.1	-65	-62.3	0	0	0	110.5	Y237 F245 C246 F253 E258 P277	Y237-H256 PolarHBondContact O-CE1 3.48Å; F245-H256 VanDerWaalsContact O-CA 3.26Å; F245-H256 WeakPolarHBondContact O-CA 3.13Å; F245-H256 PolarHBondContact O-ND1 3.1Å; C246-H256 VanDerWaalsContact SG-CE1 3.56Å; C246-H256 PolarHBondContact SG-ND1 3.1Å; C246-H256 VanDerWaalsContact SG-ND1 3.36Å; F253-H256 AromaticContact CE2-ND1 3.97Å; F253-H256 AromaticContact CZ-CE1 3.66Å; F253-H256 AromaticContact CZ-ND1 3.88Å; F253-H256 AromaticContact CZ-NE2 3.78Å; H256-E258 HydrophobicContact CB-CG 4.35Å; H256-P277 HydrophobicContact CB-CG 3.78Å; H256-P277 WeakPolarHBondContact O-CD 3.19Å; H256-P277 WeakPolarHBondContact O-CG 3.3Å
257	Y	87.9	Confident	88.6	Confident	8 Å²	8	61.7 Å²	61.7	3%	0.031	32%	0.315	C	S	.	.			trans	-109.4	114	168.3	174.4	-101.9	0	0	0	109.7	F245 N259 A262 I267 W270	F245-Y257 HydrophobicContact CB-CD1 4.27Å; F245-Y257 HydrophobicContact CD2-CD1 4.07Å; F245-Y257 WeakPolarHBondContact CD2-O 3.27Å; F245-Y257 HydrophobicContact CG-CD1 4.11Å; F245-Y257 PolarHBondContact O-N 3.47Å; F245-Y257 VanDerWaalsContact O-N 3.16Å; Y257-N259 HydrophobicContact CE1-CB 4.03Å; Y257-N259 HydrophobicContact CE2-CB 4.34Å; Y257-A262 HydrophobicContact CE1-CB 4.28Å; Y257-A262 VanDerWaalsContact OH-CB 3.22Å; Y257-A262 WeakPolarHBondContact OH-CB 3.49Å; Y257-I267 HydrophobicContact CE1-CG1 3.98Å; Y257-I267 WeakPolarHBondContact OH-CG1 3.48Å; Y257-W270 HydrophobicContact CD2-CB 4.27Å; Y257-W270 AromaticContact CD2-CD1 3.93Å; Y257-W270 AromaticContact CD2-CD2 3.42Å; Y257-W270 HydrophobicContact CD2-CD2 3.42Å; Y257-W270 VanDerWaalsContact CD2-CD2 3.42Å; Y257-W270 AromaticContact CD2-CE2 3.64Å; Y257-W270 AromaticContact CD2-CE3 3.79Å; Y257-W270 HydrophobicContact CD2-CE3 3.79Å; Y257-W270 AromaticContact CD2-CG 3.63Å; Y257-W270 HydrophobicContact CD2-CG 3.63Å; Y257-W270 HydrophobicContact CD2-CZ2 4.18Å; Y257-W270 HydrophobicContact CD2-CZ3 4.33Å; Y257-W270 AromaticContact CD2-NE1 3.92Å; Y257-W270 HydrophobicContact CE2-CB 3.71Å; Y257-W270 AromaticContact CE2-CD1 3.92Å; Y257-W270 AromaticContact CE2-CD2 3.83Å; Y257-W270 HydrophobicContact CE2-CD2 3.83Å; Y257-W270 HydrophobicContact CE2-CE3 4.32Å; Y257-W270 AromaticContact CE2-CG 3.53Å; Y257-W270 HydrophobicContact CE2-CG 3.53Å; Y257-W270 HydrophobicContact CG-CD2 4.47Å
258	E	80.6	Confident	88.5	Confident	107 Å²	107	62.1 Å²	62.1	50%	0.5	32%	0.319	S	S	.	.			trans	-112.5	55.1	-170.8	-66.6	-171.1	-156.7	0	0	112.7	H256 P277	H256-E258 HydrophobicContact CB-CG 4.35Å; E258-P277 HydrophobicContact CG-CB 4.28Å; E258-P277 HydrophobicContact CG-CG 4.22Å
259	N	79.3	Confident	88.3	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	34%	0.335	S	S	.	.			trans	-127.7	98.8	168.1	-173	1.5	0	0	0	111.9	Y257 G261 A262	Y257-N259 HydrophobicContact CE1-CB 4.03Å; Y257-N259 HydrophobicContact CE2-CB 4.34Å; N259-G261 VanDerWaalsContact C-N 3.32Å; N259-G261 PolarHBondContact OD1-N 3.08Å; N259-A262 HydrophobicContact CB-CB 4.15Å; N259-A262 WeakPolarHBondContact O-CB 3.27Å; N259-A262 PolarHBondContact OD1-N 3.43Å
260	Y	76.3	Confident	88.2	Confident	114 Å²	114	64.1 Å²	64.1	45%	0.447	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.2	178.4	-53.6	-70.4	0	0	0	114.2	P243 F245	P243-Y260 HydrophobicContact CG-CD1 3.96Å; P243-Y260 HydrophobicContact CG-CE1 3.99Å; P243-Y260 VanDerWaalsContact O-CE1 3.32Å; P243-Y260 WeakPolarHBondContact O-CE1 3.41Å; F245-Y260 HydrophobicContact CD2-CE1 4.24Å; F245-Y260 HydrophobicContact CE2-CD1 4.1Å; F245-Y260 HydrophobicContact CE2-CE1 4.04Å
261	G	73.1	Confident	88.4	Confident	66 Å²	66	55.7 Å²	55.7	68%	0.68	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	12.9	172.3	0	0	0	0	0	113	N259	N259-G261 VanDerWaalsContact C-N 3.32Å; N259-G261 PolarHBondContact OD1-N 3.08Å
262	A	80.7	Confident	88.5	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	31%	0.305	C	S	.	.			trans	-62.2	144.4	-174.8	0	0	0	0	0	113	M203 V206 Y257 N259 D266 I267	M203-A262 HydrophobicContact CE-CB 4.33Å; V206-A262 VanDerWaalsContact CG1-O 3.26Å; V206-A262 WeakPolarHBondContact CG1-O 3.48Å; Y257-A262 HydrophobicContact CE1-CB 4.28Å; Y257-A262 VanDerWaalsContact OH-CB 3.22Å; Y257-A262 WeakPolarHBondContact OH-CB 3.49Å; N259-A262 HydrophobicContact CB-CB 4.15Å; N259-A262 WeakPolarHBondContact O-CB 3.27Å; N259-A262 PolarHBondContact OD1-N 3.43Å; A262-D266 HydrophobicContact CB-CB 4.09Å; A262-I267 HydrophobicContact CB-CG1 4.02Å
263	T	89.5	Confident	88.3	Confident	66 Å²	66	57.6 Å²	57.6	41%	0.405	30%	0.295	S	S	.	.			trans	-83.8	167.2	159.6	70	0	0	0	0	110.5	K265 D266 I267	T263-K265 PolarHBondContact O-N 3.49Å; T263-D266 VanDerWaalsContact CB-OD2 3.3Å; T263-D266 WeakPolarHBondContact CB-OD2 3.48Å; T263-D266 WeakPolarHBondContact CG2-OD2 3.32Å; T263-D266 PolarHBondContact N-OD2 3.18Å; T263-D266 PolarHBondContact O-N 3.29Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-N 3.3Å; T263-D266 PolarHBondContact OG1-OD2 3.02Å; T263-I267 PolarHBondContact O-N 2.95Å
264	P	92	Very high	88	Confident	20 Å²	20	55.6 Å²	55.6	13%	0.13	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-38.8	175.5	-25.1	36.3	0	0	0	112	V206 Q209 A210 I267 A268	V206-P264 HydrophobicContact CG1-CG 4.03Å; Q209-P264 HydrophobicContact CB-CB 3.97Å; Q209-P264 HydrophobicContact CB-CG 3.82Å; Q209-P264 HydrophobicContact CG-CB 3.79Å; Q209-P264 HydrophobicContact CG-CG 3.82Å; A210-P264 HydrophobicContact CB-CB 4.29Å; P264-I267 PolarHBondContact O-N 2.88Å; P264-A268 WeakPolarHBondContact O-CB 2.48Å; P264-A268 PolarHBondContact O-N 3.09Å
265	K	90	Very high	87.5	Confident	131 Å²	131	58.4 Å²	58.4	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-60.9	-42.7	174.6	-176.4	-174.7	169.8	-169.2	0	112.4	T263 I267 A268 D269	T263-K265 PolarHBondContact O-N 3.49Å; K265-I267 VanDerWaalsContact C-N 3.27Å; K265-I267 PolarHBondContact O-N 3.1Å; K265-A268 CarbonylContact O-C 3.6Å; K265-A268 PolarHBondContact O-N 3.4Å; K265-A268 VanDerWaalsContact O-N 3.14Å; K265-D269 WeakPolarHBondContact CE-OD2 3.17Å; K265-D269 WeakPolarHBondContact CG-OD2 3.47Å; K265-D269 WeakPolarHBondContact O-CB 3.48Å; K265-D269 PolarHBondContact O-N 3.28Å
266	D	90.3	Very high	86.9	Confident	65 Å²	65	59.9 Å²	59.9	35%	0.348	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-32.8	-179.6	-58.8	-52.1	0	0	0	112.2	A262 T263 W270	A262-D266 HydrophobicContact CB-CB 4.09Å; T263-D266 VanDerWaalsContact CB-OD2 3.3Å; T263-D266 WeakPolarHBondContact CB-OD2 3.48Å; T263-D266 WeakPolarHBondContact CG2-OD2 3.32Å; T263-D266 PolarHBondContact N-OD2 3.18Å; T263-D266 PolarHBondContact O-N 3.29Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-N 3.3Å; T263-D266 PolarHBondContact OG1-OD2 3.02Å; D266-W270 VanDerWaalsContact O-CB 3.26Å; D266-W270 WeakPolarHBondContact O-CB 3.35Å; D266-W270 PolarHBondContact O-N 3.35Å
267	I	93.5	Very high	85.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.9	-48.2	171.7	-58.3	173	0	0	0	109.5	L189 V206 F207 A210 L220 Y257 A262 T263 P264 K265 D269 W270 L271	L189-I267 HydrophobicContact CD2-CG2 3.77Å; V206-I267 HydrophobicContact CG1-CD1 3.85Å; F207-I267 HydrophobicContact CD2-CD1 4.27Å; A210-I267 HydrophobicContact CB-CB 3.9Å; A210-I267 HydrophobicContact CB-CD1 4.03Å; A210-I267 HydrophobicContact CB-CG2 3.91Å; L220-I267 HydrophobicContact CD2-CG2 4.17Å; Y257-I267 HydrophobicContact CE1-CG1 3.98Å; Y257-I267 WeakPolarHBondContact OH-CG1 3.48Å; A262-I267 HydrophobicContact CB-CG1 4.02Å; T263-I267 PolarHBondContact O-N 2.95Å; P264-I267 PolarHBondContact O-N 2.88Å; K265-I267 VanDerWaalsContact C-N 3.27Å; K265-I267 PolarHBondContact O-N 3.1Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-D269 PolarHBondContact O-N 3.4Å; I267-W270 PolarHBondContact O-N 3.41Å; I267-L271 HydrophobicContact CG2-CD1 3.97Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CD1 3.38Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.21Å; I267-L271 PolarHBondContact O-N 2.51Å
268	A	93.6	Very high	84.3	Confident	11 Å²	11	66.9 Å²	66.9	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-31.1	-179.4	0	0	0	0	0	113.9	T214 P264 K265 K272	T214-A268 HydrophobicContact CG2-CB 3.58Å; P264-A268 WeakPolarHBondContact O-CB 2.48Å; P264-A268 PolarHBondContact O-N 3.09Å; K265-A268 CarbonylContact O-C 3.6Å; K265-A268 PolarHBondContact O-N 3.4Å; K265-A268 VanDerWaalsContact O-N 3.14Å; A268-K272 VanDerWaalsContact O-CE 3.26Å; A268-K272 WeakPolarHBondContact O-CE 3.3Å; A268-K272 WeakPolarHBondContact O-CG 3.44Å
269	D	92.1	Very high	83.1	Confident	64 Å²	64	67.2 Å²	67.2	34%	0.342	36%	0.356	S	S	.	.	H	α-helix	trans	-79.2	-40.9	175.2	-79.9	-21.7	0	0	0	111.5	K265 I267 L271 K272	K265-D269 WeakPolarHBondContact CE-OD2 3.17Å; K265-D269 WeakPolarHBondContact CG-OD2 3.47Å; K265-D269 WeakPolarHBondContact O-CB 3.48Å; K265-D269 PolarHBondContact O-N 3.28Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-D269 PolarHBondContact O-N 3.4Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.24Å; D269-K272 WeakPolarHBondContact O-CB 3.43Å; D269-K272 PolarHBondContact O-N 3.34Å; D269-K272 VanDerWaalsContact O-N 3.17Å; D269-K272 IonicContact OD1-NZ 3.77Å; D269-K272 PolarHBondContact OD1-NZ 3.25Å
270	W	93.3	Very high	81.8	Confident	47 Å²	47	72.6 Å²	72.6	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-40	173.7	-177.5	91.1	0	0	0	112.1	L189 Y247 H255 Y257 D266 I267 K272 N273 P274 R275	L189-W270 HydrophobicContact CD1-CZ3 4.29Å; Y247-W270 HydrophobicContact CD1-CH2 4.16Å; Y247-W270 HydrophobicContact CD1-CZ3 4.49Å; Y247-W270 HydrophobicContact CD2-CH2 4.18Å; Y247-W270 AromaticContact CD2-CZ3 3.78Å; Y247-W270 HydrophobicContact CD2-CZ3 3.78Å; Y247-W270 HydrophobicContact CE2-CZ3 4.37Å; Y247-W270 AromaticContact CG-CH2 3.73Å; Y247-W270 HydrophobicContact CG-CH2 3.73Å; Y247-W270 AromaticContact CG-CZ3 3.83Å; Y247-W270 HydrophobicContact CG-CZ3 3.83Å; H255-W270 HydrophobicContact CB-CH2 4.41Å; H255-W270 HydrophobicContact CB-CZ2 4.34Å; Y257-W270 HydrophobicContact CD2-CB 4.27Å; Y257-W270 AromaticContact CD2-CD1 3.93Å; Y257-W270 AromaticContact CD2-CD2 3.42Å; Y257-W270 HydrophobicContact CD2-CD2 3.42Å; Y257-W270 VanDerWaalsContact CD2-CD2 3.42Å; Y257-W270 AromaticContact CD2-CE2 3.64Å; Y257-W270 AromaticContact CD2-CE3 3.79Å; Y257-W270 HydrophobicContact CD2-CE3 3.79Å; Y257-W270 AromaticContact CD2-CG 3.63Å; Y257-W270 HydrophobicContact CD2-CG 3.63Å; Y257-W270 HydrophobicContact CD2-CZ2 4.18Å; Y257-W270 HydrophobicContact CD2-CZ3 4.33Å; Y257-W270 AromaticContact CD2-NE1 3.92Å; Y257-W270 HydrophobicContact CE2-CB 3.71Å; Y257-W270 AromaticContact CE2-CD1 3.92Å; Y257-W270 AromaticContact CE2-CD2 3.83Å; Y257-W270 HydrophobicContact CE2-CD2 3.83Å; Y257-W270 HydrophobicContact CE2-CE3 4.32Å; Y257-W270 AromaticContact CE2-CG 3.53Å; Y257-W270 HydrophobicContact CE2-CG 3.53Å; Y257-W270 HydrophobicContact CG-CD2 4.47Å; D266-W270 VanDerWaalsContact O-CB 3.26Å; D266-W270 WeakPolarHBondContact O-CB 3.35Å; D266-W270 PolarHBondContact O-N 3.35Å; I267-W270 PolarHBondContact O-N 3.41Å; W270-K272 PolarHBondContact O-N 2.89Å; W270-K272 VanDerWaalsContact O-N 3.11Å; W270-N273 CarbonylContact O-C 3.58Å; W270-N273 PolarHBondContact O-N 2.62Å; W270-P274 HydrophobicContact CD2-CB 4.5Å; W270-P274 HydrophobicContact CE3-CB 4.31Å; W270-P274 HydrophobicContact CH2-CB 3.83Å; W270-P274 HydrophobicContact CZ2-CB 4.05Å; W270-P274 HydrophobicContact CZ3-CB 3.96Å; W270-P274 WeakPolarHBondContact O-CA 3.46Å; W270-R275 WeakPolarHBondContact CZ2-O 3.35Å
271	L	94.3	Very high	80.3	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.8	177.3	-76.4	165.8	0	0	0	114.1	L189 T214 Y218 L220 Y247 I267 D269	L189-L271 HydrophobicContact CB-CD2 4.16Å; L189-L271 HydrophobicContact CD2-CD1 4.4Å; L189-L271 HydrophobicContact CD2-CD2 4.29Å; T214-L271 HydrophobicContact CG2-CD1 4.05Å; Y218-L271 HydrophobicContact CD1-CB 4.04Å; Y218-L271 HydrophobicContact CD1-CD2 4Å; Y218-L271 HydrophobicContact CD1-CG 4.44Å; Y218-L271 HydrophobicContact CD2-CB 4.34Å; Y218-L271 HydrophobicContact CE1-CB 3.89Å; Y218-L271 HydrophobicContact CE1-CD2 4.44Å; Y218-L271 WeakPolarHBondContact CE1-O 3.11Å; Y218-L271 HydrophobicContact CE2-CB 4.22Å; Y218-L271 HydrophobicContact CG-CB 4.27Å; Y218-L271 HydrophobicContact CG-CD1 4.3Å; Y218-L271 HydrophobicContact CG-CD2 4.47Å; Y218-L271 PolarHBondContact OH-O 2.89Å; L220-L271 HydrophobicContact CD1-CD1 3.81Å; Y247-L271 HydrophobicContact CD2-CD2 3.88Å; Y247-L271 HydrophobicContact CE2-CD2 3.6Å; I267-L271 HydrophobicContact CG2-CD1 3.97Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CD1 3.38Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.21Å; I267-L271 PolarHBondContact O-N 2.51Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.24Å
272	K	92.9	Very high	79.3	Confident	138 Å²	138	74.5 Å²	74.5	60%	0.6	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.4	175.4	-61.6	164.8	-167.5	167.9	0	113	A268 D269 W270	A268-K272 VanDerWaalsContact O-CE 3.26Å; A268-K272 WeakPolarHBondContact O-CE 3.3Å; A268-K272 WeakPolarHBondContact O-CG 3.44Å; D269-K272 WeakPolarHBondContact O-CB 3.43Å; D269-K272 PolarHBondContact O-N 3.34Å; D269-K272 VanDerWaalsContact O-N 3.17Å; D269-K272 IonicContact OD1-NZ 3.77Å; D269-K272 PolarHBondContact OD1-NZ 3.25Å; W270-K272 PolarHBondContact O-N 2.89Å; W270-K272 VanDerWaalsContact O-N 3.11Å
273	N	89.5	Confident	78.4	Confident	88 Å²	88	79.7 Å²	79.7	47%	0.471	41%	0.413	S	S	.	.	S	Bend	trans	-148.8	68.7	179.7	-167.7	-41.1	0	0	0	108.1	W270 R275	W270-N273 CarbonylContact O-C 3.58Å; W270-N273 PolarHBondContact O-N 2.62Å; N273-R275 PolarHBondContact ND2-NH2 3Å; N273-R275 VanDerWaalsContact ND2-NH2 3.17Å; N273-R275 PolarHBondContact O-N 2.79Å; N273-R275 PolarHBondContact OD1-NE 3.04Å; N273-R275 PolarHBondContact OD1-NH2 3.18Å
274	P	87.8	Confident	77.6	Confident	30 Å²	30	80.5 Å²	80.5	20%	0.195	42%	0.417	C	S	.	.			trans	-66.3	127.1	-177.3	30.2	-36.9	0	0	0	108.2	Y247 W270	Y247-P274 HydrophobicContact CD1-CB 3.93Å; Y247-P274 HydrophobicContact CD1-CG 4.42Å; Y247-P274 HydrophobicContact CE1-CB 3.52Å; Y247-P274 HydrophobicContact CE1-CG 3.54Å; Y247-P274 HydrophobicContact CE2-CB 4.44Å; W270-P274 HydrophobicContact CD2-CB 4.5Å; W270-P274 HydrophobicContact CE3-CB 4.31Å; W270-P274 HydrophobicContact CH2-CB 3.83Å; W270-P274 HydrophobicContact CZ2-CB 4.05Å; W270-P274 HydrophobicContact CZ3-CB 3.96Å; W270-P274 WeakPolarHBondContact O-CA 3.46Å
275	R	82.6	Confident	77.1	Confident	133 Å²	133	82 Å²	82	50%	0.502	43%	0.427	S	S	.	.			trans	-119.1	152.9	178.7	-68.1	173.9	-168.1	-174.5	3.9	108.4	H255 W270 N273	H255-R275 PolarHBondContact CD2-O 2.7Å; W270-R275 WeakPolarHBondContact CZ2-O 3.35Å; N273-R275 PolarHBondContact ND2-NH2 3Å; N273-R275 VanDerWaalsContact ND2-NH2 3.17Å; N273-R275 PolarHBondContact O-N 2.79Å; N273-R275 PolarHBondContact OD1-NE 3.04Å; N273-R275 PolarHBondContact OD1-NH2 3.18Å
276	P	75.3	Confident	76.9	Confident	71 Å²	71	76.1 Å²	76.1	46%	0.461	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.2	153.8	165.8	26.5	-34.5	0	0	0	108.7	H255 Q278	H255-P276 WeakPolarHBondContact ND1-CA 2.9Å; P276-Q278 PolarHBondContact O-N 3Å
277	P	66.2	Low	76.6	Confident	41 Å²	41	76.4 Å²	76.4	27%	0.266	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-48.4	117.3	160.5	-19.4	29.9	0	0	0	106.3	H256 E258	H256-P277 HydrophobicContact CB-CG 3.78Å; H256-P277 WeakPolarHBondContact O-CD 3.19Å; H256-P277 WeakPolarHBondContact O-CG 3.3Å; E258-P277 HydrophobicContact CG-CB 4.28Å; E258-P277 HydrophobicContact CG-CG 4.22Å
278	Q	58.3	Low	76.1	Confident	143 Å²	143	83 Å²	83	67%	0.668	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-59.2	129.3	173.9	-72.1	-168.2	-24.9	0	0	105.4	P276 K280	P276-Q278 PolarHBondContact O-N 3Å; Q278-K280 PolarHBondContact O-N 3.11Å
279	P	53.9	Low	75.7	Confident	114 Å²	114	85.5 Å²	85.5	74%	0.74	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-52.5	121.3	166.9	25.2	-32.1	0	0	0	104.2	T281	P279-T281 VanDerWaalsContact C-N 3.34Å; P279-T281 PolarHBondContact O-N 3Å
280	K	52.3	Low	75.4	Confident	175 Å²	175	91 Å²	91	76%	0.761	48%	0.483	S	S	*	.			trans	-52.1	108.6	-178	-68.9	174.7	-176	171.1	0	105.1	Q278 P282	Q278-K280 PolarHBondContact O-N 3.11Å; K280-P282 VanDerWaalsContact O-N 3.1Å
281	T	45.4	Very low	75.1	Confident	104 Å²	104	90 Å²	90	64%	0.638	48%	0.483	S	S	*	.			trans	-47.6	127	177.7	-52.1	0	0	0	0	104.6	P279 E283	P279-T281 VanDerWaalsContact C-N 3.34Å; P279-T281 PolarHBondContact O-N 3Å; T281-E283 VanDerWaalsContact C-N 3.28Å; T281-E283 PolarHBondContact O-N 2.93Å
282	P	52.2	Low	75	Confident	117 Å²	117	92 Å²	92	76%	0.76	50%	0.496	S	S	*	.			trans	-50.7	105.1	175.7	-26.9	35.3	0	0	0	106.2	K280 V284	K280-P282 VanDerWaalsContact O-N 3.1Å; P282-V284 PolarHBondContact O-N 2.63Å
283	E	61	Low	75.2	Confident	114 Å²	114	85.7 Å²	85.7	53%	0.533	47%	0.469	S	S	.	.			trans	-67.3	112.5	-176.5	-78.8	176.7	157.3	0	0	103.1	T281 P285 K324	T281-E283 VanDerWaalsContact C-N 3.28Å; T281-E283 PolarHBondContact O-N 2.93Å; E283-P285 WeakPolarHBondContact O-CD 3.35Å; E283-K324 IonicContact OE1-NZ 3.88Å; E283-K324 PolarHBondContact OE1-NZ 2.97Å; E283-K324 WeakPolarHBondContact OE2-CE 3.12Å; E283-K324 IonicContact OE2-NZ 3.24Å; E283-K324 PolarHBondContact OE2-NZ 2.62Å
284	V	73.1	Confident	75.4	Confident	83 Å²	83	85.4 Å²	85.4	50%	0.503	46%	0.464	S	S	.	.			trans	-41.2	116.2	179.7	177.9	0	0	0	0	106	P282 W286 E288 T289	P282-V284 PolarHBondContact O-N 2.63Å; V284-W286 PolarHBondContact O-N 3.46Å; V284-E288 HydrophobicContact CG1-CB 3.55Å; V284-T289 HydrophobicContact CB-CG2 4.06Å; V284-T289 HydrophobicContact CG1-CG2 3.77Å
285	P	81.4	Confident	75.8	Confident	53 Å²	53	86.2 Å²	86.2	34%	0.344	47%	0.465	S	S	.	.			trans	-47.2	145	-176.9	-33.4	38.1	0	0	0	109.7	E283 S287 E288 T289	E283-P285 WeakPolarHBondContact O-CD 3.35Å; P285-S287 WeakPolarHBondContact CB-OG 2.88Å; P285-S287 PolarHBondContact O-N 3.43Å; P285-S287 VanDerWaalsContact O-N 3.14Å; P285-E288 HydrophobicContact CB-CB 4.34Å; P285-E288 HydrophobicContact CB-CG 4.17Å; P285-E288 HydrophobicContact CG-CG 4.37Å; P285-E288 WeakPolarHBondContact CG-OE1 3.4Å; P285-E288 CarbonylContact O-C 3.6Å; P285-E288 WeakPolarHBondContact O-CA 3.21Å; P285-E288 WeakPolarHBondContact O-CB 3.44Å; P285-E288 PolarHBondContact O-N 2.99Å; P285-T289 PolarHBondContact O-N 3.16Å
286	W	85.1	Confident	76.5	Confident	7 Å²	7	80.3 Å²	80.3	3%	0.027	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-58.7	-34.1	-175.6	-159.3	7.5	0	0	0	110.7	V284 E288 T289 V293 H295 M314 Y316 K327 Y330 D331 A349	V284-W286 PolarHBondContact O-N 3.46Å; W286-E288 PolarHBondContact O-N 3.07Å; W286-T289 PolarHBondContact O-N 3.49Å; W286-T289 VanDerWaalsContact O-N 3.08Å; W286-T289 PolarHBondContact O-OG1 3.33Å; W286-V293 HydrophobicContact CH2-CG1 4.37Å; W286-V293 HydrophobicContact CH2-CG2 4.43Å; W286-V293 HydrophobicContact CZ2-CB 4.35Å; W286-V293 HydrophobicContact CZ2-CG2 3.95Å; W286-H295 VanDerWaalsContact CB-CE1 3.46Å; W286-H295 WeakPolarHBondContact CB-CE1 3.45Å; W286-H295 AromaticContact CD1-NE2 3.86Å; W286-H295 AromaticContact CD2-CE1 3.52Å; W286-H295 AromaticContact CD2-NE2 3.59Å; W286-H295 AromaticContact CE3-CE1 3.51Å; W286-H295 AromaticContact CG-CE1 3.57Å; W286-H295 AromaticContact CG-NE2 3.43Å; W286-M314 HydrophobicContact CH2-SD 3.73Å; W286-M314 HydrophobicContact CZ3-CE 4.48Å; W286-M314 HydrophobicContact CZ3-SD 3.78Å; W286-Y316 AromaticContact CE3-CD1 3.88Å; W286-Y316 HydrophobicContact CE3-CD1 3.88Å; W286-Y316 AromaticContact CE3-CE1 3.6Å; W286-Y316 HydrophobicContact CE3-CE1 3.6Å; W286-Y316 HydrophobicContact CE3-CE2 4.41Å; W286-Y316 HydrophobicContact CE3-CG 4.37Å; W286-Y316 AromaticContact CE3-CZ 3.91Å; W286-Y316 AromaticContact CZ3-CD1 3.97Å; W286-Y316 HydrophobicContact CZ3-CD1 3.97Å; W286-Y316 HydrophobicContact CZ3-CE1 4.11Å; W286-Y316 HydrophobicContact CZ3-CG 4.48Å; W286-K327 HydrophobicContact CD2-CD 3.57Å; W286-K327 VanDerWaalsContact CD2-CE 3.47Å; W286-K327 HydrophobicContact CD2-CG 3.79Å; W286-K327 HydrophobicContact CE3-CD 3.94Å; W286-K327 HydrophobicContact CE3-CG 3.86Å; W286-K327 HydrophobicContact CG-CD 3.83Å; W286-K327 HydrophobicContact CH2-CB 4.36Å; W286-K327 HydrophobicContact CH2-CG 3.88Å; W286-K327 HydrophobicContact CZ2-CB 3.9Å; W286-K327 HydrophobicContact CZ2-CD 4.37Å; W286-K327 HydrophobicContact CZ2-CG 3.76Å; W286-K327 HydrophobicContact CZ3-CG 3.91Å; W286-Y330 AromaticContact CH2-CD1 3.77Å; W286-Y330 HydrophobicContact CH2-CD1 3.77Å; W286-Y330 HydrophobicContact CH2-CG 4.35Å; W286-Y330 HydrophobicContact CZ2-CD1 4.37Å; W286-D331 PolarHBondContact NE1-OD1 3.19Å; W286-D331 PolarHBondContact NE1-OD2 3.04Å; W286-A349 HydrophobicContact CE3-CB 3.91Å; W286-A349 HydrophobicContact CH2-CB 4.06Å; W286-A349 HydrophobicContact CZ3-CB 3.44Å; W286-A349 VanDerWaalsContact CZ3-CB 3.44Å
287	S	84.2	Confident	77.5	Confident	70 Å²	70	79 Å²	79	49%	0.49	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.6	-13	169	53.1	0	0	0	0	116.6	P285 H295	P285-S287 WeakPolarHBondContact CB-OG 2.88Å; P285-S287 PolarHBondContact O-N 3.43Å; P285-S287 VanDerWaalsContact O-N 3.14Å; S287-H295 VanDerWaalsContact CA-CD2 3.48Å; S287-H295 WeakPolarHBondContact CA-CD2 3.45Å; S287-H295 VanDerWaalsContact CA-CG 3.45Å
288	E	84.2	Confident	78.8	Confident	140 Å²	140	79.1 Å²	79.1	65%	0.654	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-110.3	3.1	175.1	-67.9	175.9	-147	0	0	111.9	V284 P285 W286	V284-E288 HydrophobicContact CG1-CB 3.55Å; P285-E288 HydrophobicContact CB-CB 4.34Å; P285-E288 HydrophobicContact CB-CG 4.17Å; P285-E288 HydrophobicContact CG-CG 4.37Å; P285-E288 WeakPolarHBondContact CG-OE1 3.4Å; P285-E288 CarbonylContact O-C 3.6Å; P285-E288 WeakPolarHBondContact O-CA 3.21Å; P285-E288 WeakPolarHBondContact O-CB 3.44Å; P285-E288 PolarHBondContact O-N 2.99Å; W286-E288 PolarHBondContact O-N 3.07Å
289	T	85	Confident	80.6	Confident	62 Å²	62	79.5 Å²	79.5	38%	0.38	43%	0.434	S	S	.	.	S	Bend	trans	-100.4	155	171.7	60.1	0	0	0	0	111.3	V284 P285 W286 S291	V284-T289 HydrophobicContact CB-CG2 4.06Å; V284-T289 HydrophobicContact CG1-CG2 3.77Å; P285-T289 PolarHBondContact O-N 3.16Å; W286-T289 PolarHBondContact O-N 3.49Å; W286-T289 VanDerWaalsContact O-N 3.08Å; W286-T289 PolarHBondContact O-OG1 3.33Å; T289-S291 PolarHBondContact O-N 3.32Å
290	D	84.5	Confident	82.6	Confident	179 Å²	179	75.9 Å²	75.9	96%	0.957	41%	0.411	S	S	*	.			trans	-69.2	92.7	172.7	-169.1	17.9	0	0	0	109.3
291	S	88.3	Confident	84.7	Confident	26 Å²	26	67.5 Å²	67.5	18%	0.182	38%	0.375	C	S	.	.			trans	-125.7	138.8	-176.2	170.5	0	0	0	0	110.4	T289 V293 D331	T289-S291 PolarHBondContact O-N 3.32Å; S291-V293 PolarHBondContact O-N 3.35Å; S291-V293 WeakPolarHBondContact OG-CB 3.33Å; S291-V293 PolarHBondContact OG-N 3Å; S291-D331 WeakPolarHBondContact CB-OD1 3.3Å; S291-D331 PolarHBondContact OG-OD1 2.82Å
292	P	92.1	Very high	87.1	Confident	44 Å²	44	65.8 Å²	65.8	29%	0.286	36%	0.362	S	S	.	.	S	Bend	trans	-74	-0.3	170.6	31.1	-35.1	0	0	0	113.8	D331 A334 E335 N338	P292-D331 HydrophobicContact CG-CB 4.27Å; P292-D331 WeakPolarHBondContact CG-O 3.28Å; P292-A334 HydrophobicContact CB-CB 3.98Å; P292-A334 HydrophobicContact CG-CB 3.96Å; P292-E335 HydrophobicContact CB-CB 4.39Å; P292-E335 HydrophobicContact CG-CB 4.14Å; P292-N338 PolarHBondContact O-ND2 3.44Å
293	V	95.9	Very high	89.2	Confident	6 Å²	6	62.8 Å²	62.8	4%	0.036	34%	0.344	C	S	.	.	S	Bend	trans	-91.9	130.8	-178.3	-177.7	0	0	0	0	110.1	W286 S291 H295 Y330 A334 A349	W286-V293 HydrophobicContact CH2-CG1 4.37Å; W286-V293 HydrophobicContact CH2-CG2 4.43Å; W286-V293 HydrophobicContact CZ2-CB 4.35Å; W286-V293 HydrophobicContact CZ2-CG2 3.95Å; S291-V293 PolarHBondContact O-N 3.35Å; S291-V293 WeakPolarHBondContact OG-CB 3.33Å; S291-V293 PolarHBondContact OG-N 3Å; V293-H295 PolarHBondContact O-CD2 2.8Å; V293-H295 PolarHBondContact O-N 3.5Å; V293-Y330 HydrophobicContact CG1-CD1 3.99Å; V293-Y330 HydrophobicContact CG1-CE1 3.94Å; V293-Y330 HydrophobicContact CG2-CD1 3.85Å; V293-A334 HydrophobicContact CG2-CB 3.77Å; V293-A349 HydrophobicContact CG1-CB 3.74Å
294	F	95.4	Very high	90.8	Very high	81 Å²	81	58.1 Å²	58.1	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.3	178.9	-68	-84.7	0	0	0	111.3	L296 F304 V346 L347 A348 A349	F294-L296 HydrophobicContact CB-CD2 4.48Å; F294-F304 HydrophobicContact CB-CD2 4.49Å; F294-F304 HydrophobicContact CB-CE1 4.48Å; F294-F304 HydrophobicContact CB-CE2 3.49Å; F294-F304 VanDerWaalsContact CB-CE2 3.49Å; F294-F304 HydrophobicContact CB-CZ 3.47Å; F294-F304 VanDerWaalsContact CB-CZ 3.47Å; F294-F304 AromaticContact CD1-CE2 3.75Å; F294-F304 HydrophobicContact CD1-CE2 3.75Å; F294-F304 HydrophobicContact CD1-CZ 4.37Å; F294-F304 HydrophobicContact CD2-CE2 4.07Å; F294-F304 AromaticContact CD2-CZ 3.87Å; F294-F304 HydrophobicContact CD2-CZ 3.87Å; F294-F304 AromaticContact CG-CE2 3.5Å; F294-F304 HydrophobicContact CG-CE2 3.5Å; F294-F304 VanDerWaalsContact CG-CE2 3.5Å; F294-F304 AromaticContact CG-CZ 3.65Å; F294-F304 HydrophobicContact CG-CZ 3.65Å; F294-V346 HydrophobicContact CD2-CB 4.11Å; F294-V346 HydrophobicContact CD2-CG1 4.45Å; F294-V346 HydrophobicContact CE2-CB 4.1Å; F294-V346 HydrophobicContact CE2-CG1 3.95Å; F294-L347 PolarHBondContact N-O 2.93Å; F294-A348 HydrophobicContact CB-CB 4.08Å; F294-A348 CarbonylContact O-C 3.5Å; F294-A348 WeakPolarHBondContact O-CA 3.43Å; F294-A348 VanDerWaalsContact O-CB 3.28Å; F294-A348 WeakPolarHBondContact O-CB 3.35Å; F294-A349 PolarHBondContact O-N 2.97Å
295	H	96.3	Very high	91.9	Very high	48 Å²	48	54.3 Å²	54.3	22%	0.222	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.8	-179.9	-84.1	-72.3	0	0	0	111.9	W286 S287 V293	W286-H295 VanDerWaalsContact CB-CE1 3.46Å; W286-H295 WeakPolarHBondContact CB-CE1 3.45Å; W286-H295 AromaticContact CD1-NE2 3.86Å; W286-H295 AromaticContact CD2-CE1 3.52Å; W286-H295 AromaticContact CD2-NE2 3.59Å; W286-H295 AromaticContact CE3-CE1 3.51Å; W286-H295 AromaticContact CG-CE1 3.57Å; W286-H295 AromaticContact CG-NE2 3.43Å; S287-H295 VanDerWaalsContact CA-CD2 3.48Å; S287-H295 WeakPolarHBondContact CA-CD2 3.45Å; S287-H295 VanDerWaalsContact CA-CG 3.45Å; V293-H295 PolarHBondContact O-CD2 2.8Å; V293-H295 PolarHBondContact O-N 3.5Å
296	L	96.6	Very high	92.5	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	32%	0.318	C	S	.	.			trans	-110.5	141.3	-173.1	-48.3	179.8	0	0	0	111.8	F294 S300 F301 F304 A348 A349 V350	F294-L296 HydrophobicContact CB-CD2 4.48Å; L296-S300 WeakPolarHBondContact CA-OG 3.4Å; L296-F301 HydrophobicContact CB-CD2 4.28Å; L296-F301 HydrophobicContact CD1-CD2 3.91Å; L296-F301 HydrophobicContact CD1-CE2 4.25Å; L296-F304 HydrophobicContact CD1-CB 4.34Å; L296-F304 HydrophobicContact CD1-CD1 3.56Å; L296-F304 HydrophobicContact CD1-CE1 4.04Å; L296-F304 HydrophobicContact CD1-CG 4.04Å; L296-F304 HydrophobicContact CD2-CB 3.74Å; L296-F304 HydrophobicContact CD2-CD1 3.73Å; L296-F304 HydrophobicContact CD2-CD2 3.61Å; L296-F304 HydrophobicContact CD2-CE1 4.2Å; L296-F304 HydrophobicContact CD2-CE2 4.09Å; L296-F304 HydrophobicContact CD2-CG 3.4Å; L296-F304 HydrophobicContact CD2-CZ 4.36Å; L296-F304 HydrophobicContact CG-CD1 4.27Å; L296-F304 HydrophobicContact CG-CG 4.37Å; L296-A348 HydrophobicContact CD1-CB 3.82Å; L296-A348 HydrophobicContact CG-CB 4.09Å; L296-A349 PolarHBondContact N-O 3.07Å; L296-V350 HydrophobicContact CB-CG2 3.93Å
297	T	95.9	Very high	92.9	Very high	44 Å²	44	66 Å²	66	27%	0.27	35%	0.349	S	S	.	.			trans	-102.6	-178.8	177	74.6	0	0	0	0	111.6	E299 S300 F301 H355	T297-E299 WeakPolarHBondContact CB-OE2 3.47Å; T297-E299 PolarHBondContact O-N 3.26Å; T297-E299 PolarHBondContact OG1-N 3.26Å; T297-E299 PolarHBondContact OG1-OE2 3.08Å; T297-S300 PolarHBondContact N-OG 3.05Å; T297-S300 PolarHBondContact OG1-N 2.6Å; T297-S300 VanDerWaalsContact OG1-N 3.14Å; T297-F301 WeakPolarHBondContact O-CB 3.48Å; T297-F301 PolarHBondContact O-N 3.4Å; T297-H355 VanDerWaalsContact CB-CE1 3.46Å; T297-H355 WeakPolarHBondContact CB-CE1 3.35Å
298	D	93.4	Very high	93.3	Very high	43 Å²	43	65 Å²	65	23%	0.23	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25	172	-82.1	-36.4	0	0	0	111.5	H355 K356 A357 V358	D298-H355 HydrophobicContact CB-CB 4.5Å; D298-H355 PolarHBondContact N-ND1 3.16Å; D298-H355 VanDerWaalsContact OD1-C 3.26Å; D298-H355 VanDerWaalsContact OD2-C 3.31Å; D298-H355 WeakPolarHBondContact OD2-CA 3.27Å; D298-H355 IonicContact OD2-ND1 2.72Å; D298-K356 PolarHBondContact OD2-N 2.73Å; D298-A357 HydrophobicContact CB-CB 4.33Å; D298-A357 WeakPolarHBondContact OD1-CB 3.43Å; D298-A357 PolarHBondContact OD1-N 2.79Å; D298-A357 PolarHBondContact OD2-N 3.31Å; D298-V358 WeakPolarHBondContact OD1-CB 3.36Å; D298-V358 WeakPolarHBondContact OD1-CG2 3.43Å; D298-V358 PolarHBondContact OD1-N 3.32Å
299	E	95.8	Very high	93.6	Very high	151 Å²	151	62.2 Å²	62.2	71%	0.706	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-35.3	-178.6	-53.4	76.1	-167.7	0	0	113.5	T297	T297-E299 WeakPolarHBondContact CB-OE2 3.47Å; T297-E299 PolarHBondContact O-N 3.26Å; T297-E299 PolarHBondContact OG1-N 3.26Å; T297-E299 PolarHBondContact OG1-OE2 3.08Å
300	S	96.4	Very high	94.1	Very high	37 Å²	37	60 Å²	60	26%	0.259	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.5	-174.4	81.7	0	0	0	0	114.4	L296 T297 S303 F304	L296-S300 WeakPolarHBondContact CA-OG 3.4Å; T297-S300 PolarHBondContact N-OG 3.05Å; T297-S300 PolarHBondContact OG1-N 2.6Å; T297-S300 VanDerWaalsContact OG1-N 3.14Å; S300-S303 PolarHBondContact O-OG 3.46Å; S300-F304 VanDerWaalsContact O-CB 3.27Å; S300-F304 WeakPolarHBondContact O-CB 3.38Å; S300-F304 PolarHBondContact O-N 3.06Å
301	F	96.9	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-51.1	-169.5	-171.7	-87.8	0	0	0	113.3	L296 T297 L305 V313 F315 V350 V358 F362 F373	L296-F301 HydrophobicContact CB-CD2 4.28Å; L296-F301 HydrophobicContact CD1-CD2 3.91Å; L296-F301 HydrophobicContact CD1-CE2 4.25Å; T297-F301 WeakPolarHBondContact O-CB 3.48Å; T297-F301 PolarHBondContact O-N 3.4Å; F301-L305 HydrophobicContact CD1-CD1 3.99Å; F301-L305 HydrophobicContact CE1-CD1 3.34Å; F301-L305 HydrophobicContact CE1-CG 4.27Å; F301-L305 HydrophobicContact CZ-CD1 3.84Å; F301-L305 PolarHBondContact O-N 3.12Å; F301-V313 HydrophobicContact CE2-CG1 4.2Å; F301-F315 HydrophobicContact CE2-CE1 4.19Å; F301-F315 AromaticContact CE2-CZ 3.82Å; F301-F315 HydrophobicContact CE2-CZ 3.82Å; F301-F315 HydrophobicContact CZ-CZ 4.03Å; F301-V350 HydrophobicContact CD2-CG2 3.9Å; F301-V350 HydrophobicContact CE2-CG2 3.96Å; F301-V358 HydrophobicContact CB-CG2 3.82Å; F301-V358 HydrophobicContact CD1-CG1 4.22Å; F301-V358 HydrophobicContact CD1-CG2 4.42Å; F301-V358 HydrophobicContact CD2-CG1 3.54Å; F301-V358 HydrophobicContact CD2-CG2 4.24Å; F301-V358 HydrophobicContact CE1-CG1 4.27Å; F301-V358 HydrophobicContact CE2-CG1 3.59Å; F301-V358 HydrophobicContact CG-CG1 3.86Å; F301-V358 HydrophobicContact CG-CG2 3.91Å; F301-V358 HydrophobicContact CZ-CG1 3.98Å; F301-F362 HydrophobicContact CD1-CE2 4.11Å; F301-F362 HydrophobicContact CE1-CD2 4.28Å; F301-F362 AromaticContact CE1-CE2 3.31Å; F301-F362 HydrophobicContact CE1-CE2 3.31Å; F301-F362 AromaticContact CE1-CZ 3.71Å; F301-F362 HydrophobicContact CE1-CZ 3.71Å; F301-F362 HydrophobicContact CZ-CD2 4.17Å; F301-F362 AromaticContact CZ-CE2 3.61Å; F301-F362 HydrophobicContact CZ-CE2 3.61Å; F301-F362 HydrophobicContact CZ-CZ 4.18Å; F301-F373 HydrophobicContact CE1-CE1 4.34Å; F301-F373 HydrophobicContact CE1-CZ 4.32Å; F301-F373 HydrophobicContact CZ-CE1 4.21Å; F301-F373 HydrophobicContact CZ-CE2 4.1Å; F301-F373 AromaticContact CZ-CZ 3.76Å; F301-F373 HydrophobicContact CZ-CZ 3.76Å
302	D	94.8	Very high	95.1	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-45.2	-175	-72	-59.4	0	0	0	111.8	F304 L305 E306 R361	D302-F304 VanDerWaalsContact C-N 3.28Å; D302-F304 PolarHBondContact O-N 3.06Å; D302-L305 PolarHBondContact O-N 3.45Å; D302-E306 PolarHBondContact O-N 3.03Å; D302-R361 IonicContact OD1-CZ 3.61Å; D302-R361 VanDerWaalsContact OD1-CZ 3.24Å; D302-R361 IonicContact OD1-NH1 3.94Å; D302-R361 PolarHBondContact OD1-NH1 3.44Å; D302-R361 IonicContact OD1-NH2 2.68Å; D302-R361 PolarHBondContact OD1-NH2 3.13Å; D302-R361 IonicContact OD2-CZ 2.72Å; D302-R361 IonicContact OD2-NH1 3.36Å; D302-R361 PolarHBondContact OD2-NH1 3.22Å; D302-R361 IonicContact OD2-NH2 2.63Å
303	S	95.8	Very high	95.4	Very high	55 Å²	55	48.1 Å²	48.1	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-36.7	177.3	57.1	0	0	0	0	112.5	S300 L305 E306 E307	S300-S303 PolarHBondContact O-OG 3.46Å; S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 PolarHBondContact O-N 3.24Å; S303-E306 PolarHBondContact O-N 3.02Å; S303-E307 WeakPolarHBondContact O-CG 3.38Å; S303-E307 PolarHBondContact O-N 3.3Å
304	F	96.3	Very high	95.5	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-36.5	174.8	-178.3	-93.1	0	0	0	112.5	F294 L296 S300 D302 E306 E307 H308 A311 V346 A348	F294-F304 HydrophobicContact CB-CD2 4.49Å; F294-F304 HydrophobicContact CB-CE1 4.48Å; F294-F304 HydrophobicContact CB-CE2 3.49Å; F294-F304 VanDerWaalsContact CB-CE2 3.49Å; F294-F304 HydrophobicContact CB-CZ 3.47Å; F294-F304 VanDerWaalsContact CB-CZ 3.47Å; F294-F304 AromaticContact CD1-CE2 3.75Å; F294-F304 HydrophobicContact CD1-CE2 3.75Å; F294-F304 HydrophobicContact CD1-CZ 4.37Å; F294-F304 HydrophobicContact CD2-CE2 4.07Å; F294-F304 AromaticContact CD2-CZ 3.87Å; F294-F304 HydrophobicContact CD2-CZ 3.87Å; F294-F304 AromaticContact CG-CE2 3.5Å; F294-F304 HydrophobicContact CG-CE2 3.5Å; F294-F304 VanDerWaalsContact CG-CE2 3.5Å; F294-F304 AromaticContact CG-CZ 3.65Å; F294-F304 HydrophobicContact CG-CZ 3.65Å; L296-F304 HydrophobicContact CD1-CB 4.34Å; L296-F304 HydrophobicContact CD1-CD1 3.56Å; L296-F304 HydrophobicContact CD1-CE1 4.04Å; L296-F304 HydrophobicContact CD1-CG 4.04Å; L296-F304 HydrophobicContact CD2-CB 3.74Å; L296-F304 HydrophobicContact CD2-CD1 3.73Å; L296-F304 HydrophobicContact CD2-CD2 3.61Å; L296-F304 HydrophobicContact CD2-CE1 4.2Å; L296-F304 HydrophobicContact CD2-CE2 4.09Å; L296-F304 HydrophobicContact CD2-CG 3.4Å; L296-F304 HydrophobicContact CD2-CZ 4.36Å; L296-F304 HydrophobicContact CG-CD1 4.27Å; L296-F304 HydrophobicContact CG-CG 4.37Å; S300-F304 VanDerWaalsContact O-CB 3.27Å; S300-F304 WeakPolarHBondContact O-CB 3.38Å; S300-F304 PolarHBondContact O-N 3.06Å; D302-F304 VanDerWaalsContact C-N 3.28Å; D302-F304 PolarHBondContact O-N 3.06Å; F304-E306 VanDerWaalsContact C-N 3.34Å; F304-E307 PolarHBondContact O-N 3.47Å; F304-H308 AromaticContact CD2-CD2 3.44Å; F304-H308 VanDerWaalsContact CD2-CD2 3.44Å; F304-H308 WeakPolarHBondContact CD2-CD2 3.48Å; F304-H308 AromaticContact CD2-NE2 3.85Å; F304-H308 HydrophobicContact CE1-CB 4.43Å; F304-H308 AromaticContact CE2-CD2 3.23Å; F304-H308 WeakPolarHBondContact CE2-CD2 3.5Å; F304-H308 AromaticContact CE2-NE2 3.4Å; F304-H308 WeakPolarHBondContact CE2-NE2 3.02Å; F304-H308 AromaticContact CG-CD2 3.94Å; F304-H308 AromaticContact CZ-CD2 3.58Å; F304-H308 WeakPolarHBondContact O-CB 3.34Å; F304-H308 PolarHBondContact O-CD2 2.96Å; F304-H308 PolarHBondContact O-N 2.89Å; F304-A311 HydrophobicContact CE1-CB 4.2Å; F304-V346 HydrophobicContact CE1-CG2 3.86Å; F304-V346 HydrophobicContact CZ-CB 4.47Å; F304-V346 HydrophobicContact CZ-CG2 3.57Å; F304-A348 HydrophobicContact CE1-CB 3.73Å; F304-A348 HydrophobicContact CZ-CB 4.03Å
305	L	95.6	Very high	95.5	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-78.7	-15.6	176	-64.7	-176.2	0	0	0	113.9	F301 D302 S303 A311 F373	F301-L305 HydrophobicContact CD1-CD1 3.99Å; F301-L305 HydrophobicContact CE1-CD1 3.34Å; F301-L305 HydrophobicContact CE1-CG 4.27Å; F301-L305 HydrophobicContact CZ-CD1 3.84Å; F301-L305 PolarHBondContact O-N 3.12Å; D302-L305 PolarHBondContact O-N 3.45Å; S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 PolarHBondContact O-N 3.24Å; L305-A311 HydrophobicContact CD2-CB 3.69Å; L305-F373 HydrophobicContact CD1-CB 4.14Å; L305-F373 HydrophobicContact CD1-CD1 3.48Å; L305-F373 VanDerWaalsContact CD1-CD1 3.48Å; L305-F373 HydrophobicContact CD1-CD2 4.43Å; L305-F373 HydrophobicContact CD1-CE1 3.92Å; L305-F373 HydrophobicContact CD1-CG 3.77Å; L305-F373 HydrophobicContact CD2-CB 3.77Å; L305-F373 HydrophobicContact CD2-CD2 4.48Å; L305-F373 HydrophobicContact CD2-CG 4.05Å
306	E	93.6	Very high	95.4	Very high	161 Å²	161	41.9 Å²	41.9	75%	0.752	22%	0.222	S	C	*	.	H	α-helix	trans	-78.6	-41.8	166.5	-68.9	179.6	173.3	0	0	111.2	D302 S303 F304	D302-E306 PolarHBondContact O-N 3.03Å; S303-E306 PolarHBondContact O-N 3.02Å; F304-E306 VanDerWaalsContact C-N 3.34Å
307	E	94	Very high	95	Very high	145 Å²	145	41.4 Å²	41.4	68%	0.678	22%	0.22	S	C	*	.	H	α-helix	trans	-72.9	-31.7	177.8	-72.5	179.5	-179.9	0	0	113.5	S303 F304 P309	S303-E307 WeakPolarHBondContact O-CG 3.38Å; S303-E307 PolarHBondContact O-N 3.3Å; F304-E307 PolarHBondContact O-N 3.47Å; E307-P309 WeakPolarHBondContact O-CD 3Å
308	H	93.3	Very high	94.2	Very high	49 Å²	49	41.5 Å²	41.5	23%	0.227	22%	0.221	C	C	.	.			trans	-114.6	98.7	-178.7	-65.8	-81.1	0	0	0	112.1	F304 A310 V346	F304-H308 AromaticContact CD2-CD2 3.44Å; F304-H308 VanDerWaalsContact CD2-CD2 3.44Å; F304-H308 WeakPolarHBondContact CD2-CD2 3.48Å; F304-H308 AromaticContact CD2-NE2 3.85Å; F304-H308 HydrophobicContact CE1-CB 4.43Å; F304-H308 AromaticContact CE2-CD2 3.23Å; F304-H308 WeakPolarHBondContact CE2-CD2 3.5Å; F304-H308 AromaticContact CE2-NE2 3.4Å; F304-H308 WeakPolarHBondContact CE2-NE2 3.02Å; F304-H308 AromaticContact CG-CD2 3.94Å; F304-H308 AromaticContact CZ-CD2 3.58Å; F304-H308 WeakPolarHBondContact O-CB 3.34Å; F304-H308 PolarHBondContact O-CD2 2.96Å; F304-H308 PolarHBondContact O-N 2.89Å; H308-A310 PolarHBondContact O-N 2.98Å; H308-V346 HydrophobicContact CB-CG2 3.72Å
309	P	89.9	Confident	93.3	Very high	81 Å²	81	47.5 Å²	47.5	53%	0.526	24%	0.241	S	C	.	.	S	Bend	trans	-63.2	-13.9	-174.5	-26.2	35.6	0	0	0	116.3	E307 E374 K375	E307-P309 WeakPolarHBondContact O-CD 3Å; P309-E374 CarbonylContact O-C 3.15Å; P309-E374 VanDerWaalsContact O-CA 3.28Å; P309-E374 WeakPolarHBondContact O-CA 3.49Å; P309-K375 HydrophobicContact CB-CG 4.49Å; P309-K375 PolarHBondContact O-N 3.46Å
310	A	95.3	Very high	92.7	Very high	16 Å²	16	40.9 Å²	40.9	13%	0.132	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	117.8	174.7	0	0	0	0	0	109.1	H308 P344 G345 V346 Y372 F373	H308-A310 PolarHBondContact O-N 2.98Å; A310-P344 VanDerWaalsContact CB-O 3.3Å; A310-P344 WeakPolarHBondContact CB-O 3.41Å; A310-G345 CarbonylContact O-C 3.53Å; A310-G345 WeakPolarHBondContact O-CA 3.25Å; A310-V346 PolarHBondContact O-N 2.92Å; A310-Y372 HydrophobicContact CB-CE2 4.28Å; A310-F373 WeakPolarHBondContact CA-O 3.42Å
311	A	96.8	Very high	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.8	-176.7	0	0	0	0	0	111.3	F304 L305 V346 F373	F304-A311 HydrophobicContact CE1-CB 4.2Å; L305-A311 HydrophobicContact CD2-CB 3.69Å; A311-V346 WeakPolarHBondContact CA-O 3.43Å; A311-V346 HydrophobicContact CB-CG2 3.95Å; A311-F373 PolarHBondContact N-O 3.48Å; A311-F373 PolarHBondContact O-N 3.03Å
312	L	97.4	Very high	90.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	169.5	-174	78.3	0	0	0	108.5	Y330 V346 L347 A348 V370 Y372 L382 L385 I391 F394 M395	L312-Y330 HydrophobicContact CD2-CE2 4.26Å; L312-Y330 PolarHBondContact O-OH 3.44Å; L312-V346 PolarHBondContact N-O 3.09Å; L312-L347 HydrophobicContact CB-CD2 3.71Å; L312-L347 HydrophobicContact CD2-CD2 3.57Å; L312-L347 HydrophobicContact CG-CD2 4.03Å; L312-L347 WeakPolarHBondContact O-CA 3.01Å; L312-A348 PolarHBondContact O-N 3.12Å; L312-V370 HydrophobicContact CD1-CG1 3.56Å; L312-V370 HydrophobicContact CD2-CG1 3.91Å; L312-V370 HydrophobicContact CG-CG1 3.59Å; L312-Y372 HydrophobicContact CB-CD2 4.45Å; L312-Y372 HydrophobicContact CD1-CD2 4.36Å; L312-L382 HydrophobicContact CD1-CD1 3.55Å; L312-L385 HydrophobicContact CD1-CD2 4.26Å; L312-L385 HydrophobicContact CD2-CD2 3.8Å; L312-I391 HydrophobicContact CD2-CG2 3.9Å; L312-F394 HydrophobicContact CD1-CD1 4.31Å; L312-F394 HydrophobicContact CD1-CE1 3.92Å; L312-M395 HydrophobicContact CB-CE 4.39Å; L312-M395 HydrophobicContact CB-SD 3.6Å; L312-M395 HydrophobicContact CD2-SD 4.4Å; L312-M395 HydrophobicContact CG-SD 4.47Å
313	V	97.8	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	-173.1	-172.2	0	0	0	0	111.3	F301 F315 A348 V350 V370 K371 F373	F301-V313 HydrophobicContact CE2-CG1 4.2Å; V313-F315 HydrophobicContact CB-CE2 4.08Å; V313-F315 HydrophobicContact CB-CZ 4.44Å; V313-F315 HydrophobicContact CG1-CD2 4.36Å; V313-F315 HydrophobicContact CG1-CE1 4.39Å; V313-F315 HydrophobicContact CG1-CE2 3.81Å; V313-F315 HydrophobicContact CG1-CZ 3.84Å; V313-A348 CarbonylContact C-O 3.58Å; V313-A348 WeakPolarHBondContact CA-O 3.39Å; V313-A348 HydrophobicContact CG2-CB 4.3Å; V313-V350 HydrophobicContact CG1-CG2 4.03Å; V313-V370 WeakPolarHBondContact O-CA 3.46Å; V313-K371 PolarHBondContact N-O 2.9Å; V313-K371 PolarHBondContact O-N 3.11Å; V313-F373 HydrophobicContact CB-CD2 4.25Å; V313-F373 HydrophobicContact CB-CE2 4.02Å; V313-F373 HydrophobicContact CG2-CD2 3.63Å; V313-F373 HydrophobicContact CG2-CE2 3.79Å
314	M	97.1	Very high	90.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.1	173.7	179.9	-179.5	177.7	0	0	111.2	W286 C323 M326 Y330 A348 A349 V350 P368	W286-M314 HydrophobicContact CH2-SD 3.73Å; W286-M314 HydrophobicContact CZ3-CE 4.48Å; W286-M314 HydrophobicContact CZ3-SD 3.78Å; M314-C323 HydrophobicContact CE-CB 4.05Å; M314-M326 HydrophobicContact CE-CB 3.92Å; M314-M326 HydrophobicContact CE-CG 3.88Å; M314-M326 HydrophobicContact CE-SD 3.94Å; M314-M326 HydrophobicContact SD-CE 4.05Å; M314-M326 HydrophobicContact SD-CG 4.24Å; M314-M326 HydrophobicContact SD-SD 4.23Å; M314-Y330 HydrophobicContact CB-CD1 4.35Å; M314-Y330 HydrophobicContact CB-CE1 3.7Å; M314-Y330 HydrophobicContact CB-CE2 4.07Å; M314-Y330 PolarHBondContact N-OH 3.25Å; M314-Y330 HydrophobicContact SD-CD1 4.19Å; M314-Y330 HydrophobicContact SD-CD2 4.3Å; M314-Y330 HydrophobicContact SD-CE1 4.46Å; M314-Y330 HydrophobicContact SD-CG 4.09Å; M314-A348 PolarHBondContact N-O 3.5Å; M314-A349 HydrophobicContact CB-CB 4.49Å; M314-A349 WeakPolarHBondContact O-CA 3.17Å; M314-V350 PolarHBondContact O-N 3.31Å; M314-P368 HydrophobicContact CE-CB 3.77Å; M314-P368 HydrophobicContact CE-CG 4.42Å; M314-P368 HydrophobicContact CG-CB 4.34Å
315	F	96.9	Very high	89.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118	168.4	-63.2	-84	0	0	0	109.4	F301 V313 V350 A352 V358 F362 I364 P368 T369 K371 F373	F301-F315 HydrophobicContact CE2-CE1 4.19Å; F301-F315 AromaticContact CE2-CZ 3.82Å; F301-F315 HydrophobicContact CE2-CZ 3.82Å; F301-F315 HydrophobicContact CZ-CZ 4.03Å; V313-F315 HydrophobicContact CB-CE2 4.08Å; V313-F315 HydrophobicContact CB-CZ 4.44Å; V313-F315 HydrophobicContact CG1-CD2 4.36Å; V313-F315 HydrophobicContact CG1-CE1 4.39Å; V313-F315 HydrophobicContact CG1-CE2 3.81Å; V313-F315 HydrophobicContact CG1-CZ 3.84Å; F315-V350 HydrophobicContact CD1-CB 3.73Å; F315-V350 HydrophobicContact CD1-CG1 4.03Å; F315-V350 HydrophobicContact CD1-CG2 4.29Å; F315-V350 HydrophobicContact CE1-CB 3.8Å; F315-V350 HydrophobicContact CE1-CG1 4.07Å; F315-V350 HydrophobicContact CE1-CG2 3.85Å; F315-A352 HydrophobicContact CD1-CB 4.46Å; F315-V358 HydrophobicContact CE1-CG1 3.69Å; F315-V358 HydrophobicContact CZ-CG1 4.21Å; F315-F362 HydrophobicContact CZ-CD2 4.27Å; F315-I364 HydrophobicContact CB-CD1 3.91Å; F315-I364 HydrophobicContact CB-CG1 4.02Å; F315-I364 HydrophobicContact CB-CG2 3.92Å; F315-I364 HydrophobicContact CD1-CD1 4.11Å; F315-I364 HydrophobicContact CD1-CG1 3.89Å; F315-I364 HydrophobicContact CD2-CD1 3.62Å; F315-I364 HydrophobicContact CD2-CG1 4.31Å; F315-I364 HydrophobicContact CE2-CD1 4.2Å; F315-I364 HydrophobicContact CG-CD1 3.57Å; F315-I364 HydrophobicContact CG-CG1 3.77Å; F315-P368 WeakPolarHBondContact O-CA 3.35Å; F315-T369 WeakPolarHBondContact CB-O 3.43Å; F315-T369 PolarHBondContact N-O 3.36Å; F315-T369 PolarHBondContact O-N 2.98Å; F315-T369 VanDerWaalsContact O-N 3.07Å; F315-K371 HydrophobicContact CD2-CD 4.24Å; F315-K371 HydrophobicContact CE2-CB 4.19Å; F315-K371 HydrophobicContact CE2-CD 3.81Å; F315-K371 HydrophobicContact CE2-CG 4.37Å; F315-F373 HydrophobicContact CE2-CE2 4.38Å
316	Y	93.8	Very high	89.7	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	170.2	-172.2	80.3	-89.9	0	0	0	113.1	W286 A349 V350 D351 A352	W286-Y316 AromaticContact CE3-CD1 3.88Å; W286-Y316 HydrophobicContact CE3-CD1 3.88Å; W286-Y316 AromaticContact CE3-CE1 3.6Å; W286-Y316 HydrophobicContact CE3-CE1 3.6Å; W286-Y316 HydrophobicContact CE3-CE2 4.41Å; W286-Y316 HydrophobicContact CE3-CG 4.37Å; W286-Y316 AromaticContact CE3-CZ 3.91Å; W286-Y316 AromaticContact CZ3-CD1 3.97Å; W286-Y316 HydrophobicContact CZ3-CD1 3.97Å; W286-Y316 HydrophobicContact CZ3-CE1 4.11Å; W286-Y316 HydrophobicContact CZ3-CG 4.48Å; Y316-A349 HydrophobicContact CD1-CB 4.11Å; Y316-A349 HydrophobicContact CE1-CB 4.01Å; Y316-V350 VanDerWaalsContact CD1-O 3.22Å; Y316-V350 WeakPolarHBondContact CD1-O 3.32Å; Y316-V350 PolarHBondContact N-O 3.09Å; Y316-D351 HydrophobicContact CE1-CB 4.06Å; Y316-D351 HydrophobicContact CE2-CB 4.03Å; Y316-D351 WeakPolarHBondContact CE2-OD2 3.43Å; Y316-A352 PolarHBondContact O-N 3.44Å; Y316-A352 VanDerWaalsContact O-N 3.13Å
317	A	87.1	Confident	89.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.			trans	-133.8	138.5	168.9	0	0	0	0	0	109.1	W319 C320 T353 F367	A317-W319 VanDerWaalsContact C-N 3.3Å; A317-W319 HydrophobicContact CB-CD2 4.19Å; A317-W319 HydrophobicContact CB-CH2 4.3Å; A317-W319 HydrophobicContact CB-CZ2 3.74Å; A317-W319 PolarHBondContact O-N 3.34Å; A317-C320 HydrophobicContact CB-CB 4.17Å; A317-C320 WeakPolarHBondContact O-CB 3.41Å; A317-C320 PolarHBondContact O-N 3.27Å; A317-T353 HydrophobicContact CB-CG2 3.43Å; A317-T353 VanDerWaalsContact CB-CG2 3.43Å; A317-F367 HydrophobicContact CB-CB 4.37Å; A317-F367 HydrophobicContact CB-CD1 4.22Å; A317-F367 HydrophobicContact CB-CD2 3.54Å; A317-F367 HydrophobicContact CB-CE1 4.43Å; A317-F367 HydrophobicContact CB-CE2 3.78Å; A317-F367 HydrophobicContact CB-CG 3.78Å; A317-F367 HydrophobicContact CB-CZ 4.23Å
318	P	80	Confident	89.8	Confident	46 Å²	46	44 Å²	44	30%	0.299	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.4	-168.2	26	-30.8	0	0	0	111.6	C320 K324 D351	P318-C320 VanDerWaalsContact C-N 3.32Å; P318-C320 PolarHBondContact O-N 2.85Å; P318-K324 WeakPolarHBondContact O-CE 3.42Å; P318-D351 VanDerWaalsContact CD-OD2 3.27Å; P318-D351 WeakPolarHBondContact CD-OD2 3.2Å
319	W	75.3	Confident	89.9	Confident	169 Å²	169	45.4 Å²	45.4	64%	0.64	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.4	175.1	50.1	-98.1	0	0	0	114.4	A317 G321 T353 F367	A317-W319 VanDerWaalsContact C-N 3.3Å; A317-W319 HydrophobicContact CB-CD2 4.19Å; A317-W319 HydrophobicContact CB-CH2 4.3Å; A317-W319 HydrophobicContact CB-CZ2 3.74Å; A317-W319 PolarHBondContact O-N 3.34Å; W319-G321 PolarHBondContact O-N 3.31Å; W319-T353 HydrophobicContact CZ2-CG2 4.39Å; W319-F367 AromaticContact CH2-CD2 3.94Å; W319-F367 HydrophobicContact CH2-CD2 3.94Å; W319-F367 HydrophobicContact CH2-CE2 4.22Å; W319-F367 HydrophobicContact CZ2-CD2 4.18Å; W319-F367 HydrophobicContact CZ2-CE2 4.1Å
320	C	81.8	Confident	90.3	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.074	21%	0.21	C	C	.	.			trans	-82.4	115.2	-175.1	-178.7	0	0	0	0	112.3	A317 P318 H322 C323 K324 F367	A317-C320 HydrophobicContact CB-CB 4.17Å; A317-C320 WeakPolarHBondContact O-CB 3.41Å; A317-C320 PolarHBondContact O-N 3.27Å; P318-C320 VanDerWaalsContact C-N 3.32Å; P318-C320 PolarHBondContact O-N 2.85Å; C320-H322 VanDerWaalsContact C-N 3.26Å; C320-H322 PolarHBondContact O-N 2.75Å; C320-C323 HydrophobicContact CB-CB 4.06Å; C320-C323 WeakPolarHBondContact O-CB 3.34Å; C320-C323 PolarHBondContact O-N 2.72Å; C320-K324 PolarHBondContact O-N 2.03Å; C320-F367 HydrophobicContact CB-CB 4.13Å; C320-F367 PolarHBondContact SG-O 3.26Å; C320-F367 VanDerWaalsContact SG-O 3.4Å
321	G	76.3	Confident	90.3	Very high	52 Å²	52	42.3 Å²	42.3	54%	0.536	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-30.4	178.8	0	0	0	0	0	114.6	W319 K324 K325	W319-G321 PolarHBondContact O-N 3.31Å; G321-K324 PolarHBondContact O-N 3.09Å; G321-K325 PolarHBondContact O-N 3.11Å
322	H	80.3	Confident	90.2	Very high	121 Å²	121	45.8 Å²	45.8	56%	0.56	23%	0.231	S	C	*	.	H	α-helix	trans	-68.7	-38	173.4	-60.8	138.7	0	0	0	112.1	C320 M326	C320-H322 VanDerWaalsContact C-N 3.26Å; C320-H322 PolarHBondContact O-N 2.75Å; H322-M326 WeakPolarHBondContact O-CB 3.34Å; H322-M326 PolarHBondContact O-N 3.04Å; H322-M326 VanDerWaalsContact O-N 3.12Å
323	C	89.8	Confident	90.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-47	173.3	-61.2	0	0	0	0	110.4	M314 C320 K325 M326 K327	M314-C323 HydrophobicContact CE-CB 4.05Å; C320-C323 HydrophobicContact CB-CB 4.06Å; C320-C323 WeakPolarHBondContact O-CB 3.34Å; C320-C323 PolarHBondContact O-N 2.72Å; C323-K325 VanDerWaalsContact C-N 3.29Å; C323-K325 PolarHBondContact O-N 2.88Å; C323-M326 CarbonylContact O-C 3.52Å; C323-M326 PolarHBondContact O-N 3.47Å; C323-K327 WeakPolarHBondContact O-CG 3.38Å; C323-K327 PolarHBondContact O-N 2.69Å
324	K	86.8	Confident	90	Very high	84 Å²	84	45.8 Å²	45.8	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-57.4	-38.8	177.4	-65.6	-172.7	-177.6	-164.7	0	113.6	E283 P318 C320 G321 M326	E283-K324 IonicContact OE1-NZ 3.88Å; E283-K324 PolarHBondContact OE1-NZ 2.97Å; E283-K324 WeakPolarHBondContact OE2-CE 3.12Å; E283-K324 IonicContact OE2-NZ 3.24Å; E283-K324 PolarHBondContact OE2-NZ 2.62Å; P318-K324 WeakPolarHBondContact O-CE 3.42Å; C320-K324 PolarHBondContact O-N 2.03Å; G321-K324 PolarHBondContact O-N 3.09Å; K324-M326 VanDerWaalsContact C-N 3.34Å
325	K	88.3	Confident	89.9	Confident	174 Å²	174	50.1 Å²	50.1	76%	0.757	25%	0.251	S	S	*	.	H	α-helix	trans	-69.7	-31.3	174.1	-174.5	173.8	179.6	-177.2	0	112.7	G321 C323	G321-K325 PolarHBondContact O-N 3.11Å; C323-K325 VanDerWaalsContact C-N 3.29Å; C323-K325 PolarHBondContact O-N 2.88Å
326	M	93	Very high	89.7	Confident	5 Å²	5	53 Å²	53	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-85.1	-28.6	-176.5	-178.9	170.7	169	0	0	113.8	M314 H322 C323 K324 E329 Y330 P368 V370 L385 R386	M314-M326 HydrophobicContact CE-CB 3.92Å; M314-M326 HydrophobicContact CE-CG 3.88Å; M314-M326 HydrophobicContact CE-SD 3.94Å; M314-M326 HydrophobicContact SD-CE 4.05Å; M314-M326 HydrophobicContact SD-CG 4.24Å; M314-M326 HydrophobicContact SD-SD 4.23Å; H322-M326 WeakPolarHBondContact O-CB 3.34Å; H322-M326 PolarHBondContact O-N 3.04Å; H322-M326 VanDerWaalsContact O-N 3.12Å; C323-M326 CarbonylContact O-C 3.52Å; C323-M326 PolarHBondContact O-N 3.47Å; K324-M326 VanDerWaalsContact C-N 3.34Å; M326-E329 WeakPolarHBondContact O-CB 3.34Å; M326-E329 PolarHBondContact O-N 3.09Å; M326-E329 VanDerWaalsContact O-N 3.16Å; M326-Y330 HydrophobicContact CE-CD2 3.47Å; M326-Y330 VanDerWaalsContact CE-CD2 3.47Å; M326-Y330 HydrophobicContact CE-CE2 3.79Å; M326-Y330 HydrophobicContact CE-CG 4.42Å; M326-Y330 PolarHBondContact O-N 2.78Å; M326-Y330 VanDerWaalsContact O-N 3.13Å; M326-P368 HydrophobicContact SD-CB 4.12Å; M326-P368 HydrophobicContact SD-CG 3.74Å; M326-V370 HydrophobicContact CE-CG2 3.74Å; M326-V370 HydrophobicContact SD-CG2 4.48Å; M326-L385 WeakPolarHBondContact CE-O 3.14Å; M326-R386 HydrophobicContact CG-CB 4.49Å; M326-R386 HydrophobicContact SD-CB 4Å; M326-R386 HydrophobicContact SD-CG 3.84Å
327	K	93.7	Very high	89.6	Confident	39 Å²	39	53 Å²	53	17%	0.17	27%	0.268	C	S	.	.	H	α-helix	trans	-48.4	-53.2	-178.7	-73.7	-174.7	177.8	-172.7	0	113.2	W286 C323 E329 Y330 D331	W286-K327 HydrophobicContact CD2-CD 3.57Å; W286-K327 VanDerWaalsContact CD2-CE 3.47Å; W286-K327 HydrophobicContact CD2-CG 3.79Å; W286-K327 HydrophobicContact CE3-CD 3.94Å; W286-K327 HydrophobicContact CE3-CG 3.86Å; W286-K327 HydrophobicContact CG-CD 3.83Å; W286-K327 HydrophobicContact CH2-CB 4.36Å; W286-K327 HydrophobicContact CH2-CG 3.88Å; W286-K327 HydrophobicContact CZ2-CB 3.9Å; W286-K327 HydrophobicContact CZ2-CD 4.37Å; W286-K327 HydrophobicContact CZ2-CG 3.76Å; W286-K327 HydrophobicContact CZ3-CG 3.91Å; C323-K327 WeakPolarHBondContact O-CG 3.38Å; C323-K327 PolarHBondContact O-N 2.69Å; K327-E329 VanDerWaalsContact C-N 3.34Å; K327-E329 PolarHBondContact O-N 2.87Å; K327-Y330 CarbonylContact O-C 3.03Å; K327-Y330 WeakPolarHBondContact O-CA 3.49Å; K327-Y330 WeakPolarHBondContact O-CB 3.48Å; K327-Y330 PolarHBondContact O-N 2.82Å; K327-D331 PolarHBondContact O-N 3.42Å
328	P	94.4	Very high	89.8	Confident	73 Å²	73	56 Å²	56	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-41.5	-178	-22.5	34.9	0	0	0	112.8	Y330 D331 D332	P328-Y330 PolarHBondContact O-N 2.84Å; P328-D331 PolarHBondContact O-N 3.06Å; P328-D332 WeakPolarHBondContact O-CB 3.36Å; P328-D332 PolarHBondContact O-N 3.48Å
329	E	96.4	Very high	90.1	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-23.8	176.3	-59.7	-86.2	163	0	0	113	M326 K327 A333 S387 K388	M326-E329 WeakPolarHBondContact O-CB 3.34Å; M326-E329 PolarHBondContact O-N 3.09Å; M326-E329 VanDerWaalsContact O-N 3.16Å; K327-E329 VanDerWaalsContact C-N 3.34Å; K327-E329 PolarHBondContact O-N 2.87Å; E329-A333 WeakPolarHBondContact O-CB 3.49Å; E329-A333 PolarHBondContact O-N 2.97Å; E329-S387 WeakPolarHBondContact OE2-CA 3.27Å; E329-K388 PolarHBondContact OE2-N 3.46Å
330	Y	96.9	Very high	90.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-90.6	-43.3	-178.9	-151	-104.5	0	0	0	111.4	W286 V293 L312 M314 M326 K327 P328 A333 A334 L347 A348 I391	W286-Y330 AromaticContact CH2-CD1 3.77Å; W286-Y330 HydrophobicContact CH2-CD1 3.77Å; W286-Y330 HydrophobicContact CH2-CG 4.35Å; W286-Y330 HydrophobicContact CZ2-CD1 4.37Å; V293-Y330 HydrophobicContact CG1-CD1 3.99Å; V293-Y330 HydrophobicContact CG1-CE1 3.94Å; V293-Y330 HydrophobicContact CG2-CD1 3.85Å; L312-Y330 HydrophobicContact CD2-CE2 4.26Å; L312-Y330 PolarHBondContact O-OH 3.44Å; M314-Y330 HydrophobicContact CB-CD1 4.35Å; M314-Y330 HydrophobicContact CB-CE1 3.7Å; M314-Y330 HydrophobicContact CB-CE2 4.07Å; M314-Y330 PolarHBondContact N-OH 3.25Å; M314-Y330 HydrophobicContact SD-CD1 4.19Å; M314-Y330 HydrophobicContact SD-CD2 4.3Å; M314-Y330 HydrophobicContact SD-CE1 4.46Å; M314-Y330 HydrophobicContact SD-CG 4.09Å; M326-Y330 HydrophobicContact CE-CD2 3.47Å; M326-Y330 VanDerWaalsContact CE-CD2 3.47Å; M326-Y330 HydrophobicContact CE-CE2 3.79Å; M326-Y330 HydrophobicContact CE-CG 4.42Å; M326-Y330 PolarHBondContact O-N 2.78Å; M326-Y330 VanDerWaalsContact O-N 3.13Å; K327-Y330 CarbonylContact O-C 3.03Å; K327-Y330 WeakPolarHBondContact O-CA 3.49Å; K327-Y330 WeakPolarHBondContact O-CB 3.48Å; K327-Y330 PolarHBondContact O-N 2.82Å; P328-Y330 PolarHBondContact O-N 2.84Å; Y330-A333 PolarHBondContact O-N 3.25Å; Y330-A334 WeakPolarHBondContact O-CB 3.48Å; Y330-A334 PolarHBondContact O-N 2.75Å; Y330-L347 HydrophobicContact CD2-CD2 4.37Å; Y330-L347 HydrophobicContact CE1-CB 4.01Å; Y330-L347 HydrophobicContact CE1-CD2 3.94Å; Y330-L347 HydrophobicContact CE1-CG 4.49Å; Y330-L347 HydrophobicContact CE2-CD2 3.66Å; Y330-L347 VanDerWaalsContact CZ-CD2 3.41Å; Y330-L347 WeakPolarHBondContact OH-CD2 3.49Å; Y330-A348 WeakPolarHBondContact CE1-O 3.18Å; Y330-A348 PolarHBondContact OH-O 2.86Å; Y330-I391 HydrophobicContact CD2-CD1 3.81Å; Y330-I391 HydrophobicContact CE2-CD1 4.43Å
331	D	95.8	Very high	90.1	Very high	32 Å²	32	61.3 Å²	61.3	17%	0.171	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-50.2	169.3	-66.5	-58.9	0	0	0	110.2	W286 S291 P292 K327 P328 A333 A334 E335	W286-D331 PolarHBondContact NE1-OD1 3.19Å; W286-D331 PolarHBondContact NE1-OD2 3.04Å; S291-D331 WeakPolarHBondContact CB-OD1 3.3Å; S291-D331 PolarHBondContact OG-OD1 2.82Å; P292-D331 HydrophobicContact CG-CB 4.27Å; P292-D331 WeakPolarHBondContact CG-O 3.28Å; K327-D331 PolarHBondContact O-N 3.42Å; P328-D331 PolarHBondContact O-N 3.06Å; D331-A333 VanDerWaalsContact C-N 3.26Å; D331-A333 PolarHBondContact O-N 3.43Å; D331-A334 PolarHBondContact O-N 2.77Å; D331-A334 VanDerWaalsContact O-N 3.13Å; D331-E335 PolarHBondContact O-N 3.14Å
332	D	95.2	Very high	90.2	Very high	73 Å²	73	65.9 Å²	65.9	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-34.3	176.6	-103.2	58	0	0	0	113.4	P328 V336 K388	P328-D332 WeakPolarHBondContact O-CB 3.36Å; P328-D332 PolarHBondContact O-N 3.48Å; D332-V336 WeakPolarHBondContact O-CG2 3.47Å; D332-K388 HydrophobicContact CB-CD 3.76Å; D332-K388 HydrophobicContact CB-CG 4.11Å; D332-K388 WeakPolarHBondContact O-CE 3.16Å; D332-K388 PolarHBondContact O-NZ 3.47Å; D332-K388 IonicContact OD2-NZ 2.68Å; D332-K388 PolarHBondContact OD2-NZ 3.06Å
333	A	95.4	Very high	90.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-77.4	-37.2	177.7	0	0	0	0	0	111.4	E329 Y330 D331 V336 L337 L347 K388 I391 I392	E329-A333 WeakPolarHBondContact O-CB 3.49Å; E329-A333 PolarHBondContact O-N 2.97Å; Y330-A333 PolarHBondContact O-N 3.25Å; D331-A333 VanDerWaalsContact C-N 3.26Å; D331-A333 PolarHBondContact O-N 3.43Å; A333-V336 PolarHBondContact O-N 3.14Å; A333-L337 WeakPolarHBondContact O-CG 3.38Å; A333-L337 PolarHBondContact O-N 3.07Å; A333-L347 HydrophobicContact CB-CD1 3.63Å; A333-K388 HydrophobicContact CB-CG 4.32Å; A333-I391 HydrophobicContact CB-CB 4.06Å; A333-I391 HydrophobicContact CB-CD1 4.36Å; A333-I391 HydrophobicContact CB-CG2 3.81Å; A333-I392 HydrophobicContact CB-CG1 4.19Å
334	A	95.9	Very high	90.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-37.7	177.3	0	0	0	0	0	111.6	P292 V293 Y330 D331 V336 L337 N338 L347	P292-A334 HydrophobicContact CB-CB 3.98Å; P292-A334 HydrophobicContact CG-CB 3.96Å; V293-A334 HydrophobicContact CG2-CB 3.77Å; Y330-A334 WeakPolarHBondContact O-CB 3.48Å; Y330-A334 PolarHBondContact O-N 2.75Å; D331-A334 PolarHBondContact O-N 2.77Å; D331-A334 VanDerWaalsContact O-N 3.13Å; A334-V336 VanDerWaalsContact C-N 3.27Å; A334-V336 PolarHBondContact O-N 2.94Å; A334-L337 PolarHBondContact O-N 3.16Å; A334-N338 WeakPolarHBondContact O-CB 3.33Å; A334-N338 PolarHBondContact O-N 3.37Å; A334-N338 PolarHBondContact O-ND2 3.31Å; A334-N338 PolarHBondContact O-OD1 2.58Å; A334-L347 HydrophobicContact CB-CB 3.83Å; A334-L347 HydrophobicContact CB-CD1 3.8Å; A334-L347 HydrophobicContact CB-CG 4.42Å; A334-L347 VanDerWaalsContact N-CD1 3.3Å
335	E	94.4	Very high	90.5	Very high	91 Å²	91	60.6 Å²	60.6	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-37.6	173.4	-162.9	-170.1	-164.9	0	0	112.2	P292 D331 K339	P292-E335 HydrophobicContact CB-CB 4.39Å; P292-E335 HydrophobicContact CG-CB 4.14Å; D331-E335 PolarHBondContact O-N 3.14Å; E335-K339 HydrophobicContact CG-CD 4.27Å; E335-K339 WeakPolarHBondContact O-CB 3.46Å; E335-K339 WeakPolarHBondContact O-CD 3.4Å; E335-K339 WeakPolarHBondContact O-CG 3.41Å; E335-K339 IonicContact OE1-NZ 2.93Å; E335-K339 PolarHBondContact OE1-NZ 3.13Å
336	V	92.9	Very high	90.8	Very high	62 Å²	62	53 Å²	53	38%	0.376	30%	0.295	S	S	.	.	H	α-helix	trans	-72	-49	176.8	174.2	0	0	0	0	111.2	D332 A333 A334 K339 A340 I392	D332-V336 WeakPolarHBondContact O-CG2 3.47Å; A333-V336 PolarHBondContact O-N 3.14Å; A334-V336 VanDerWaalsContact C-N 3.27Å; A334-V336 PolarHBondContact O-N 2.94Å; V336-K339 PolarHBondContact O-N 3.05Å; V336-A340 PolarHBondContact O-N 3.34Å; V336-I392 HydrophobicContact CB-CD1 4.04Å; V336-I392 HydrophobicContact CG1-CD1 3.98Å; V336-I392 HydrophobicContact CG2-CD1 4.25Å
337	L	91.9	Very high	91	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-38.5	-176.7	-70.4	169	0	0	0	112.5	A333 A334 K339 A340 S343 P344 L347 M395	A333-L337 WeakPolarHBondContact O-CG 3.38Å; A333-L337 PolarHBondContact O-N 3.07Å; A334-L337 PolarHBondContact O-N 3.16Å; L337-K339 PolarHBondContact O-N 3.03Å; L337-A340 PolarHBondContact O-N 3.37Å; L337-S343 VanDerWaalsContact O-CB 3.3Å; L337-S343 WeakPolarHBondContact O-CB 3.41Å; L337-S343 PolarHBondContact O-OG 2.92Å; L337-P344 HydrophobicContact CD2-CG 3.79Å; L337-L347 HydrophobicContact CD1-CD1 3.7Å; L337-L347 HydrophobicContact CD1-CG 4.03Å; L337-M395 HydrophobicContact CD1-CB 4.07Å; L337-M395 HydrophobicContact CD1-CG 3.83Å; L337-M395 HydrophobicContact CD2-CB 4.17Å
338	N	90.9	Very high	91.2	Very high	65 Å²	65	50.9 Å²	50.9	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-70.7	-18.6	178	-65.5	-8.7	0	0	0	113.2	P292 A334	P292-N338 PolarHBondContact O-ND2 3.44Å; A334-N338 WeakPolarHBondContact O-CB 3.33Å; A334-N338 PolarHBondContact O-N 3.37Å; A334-N338 PolarHBondContact O-ND2 3.31Å; A334-N338 PolarHBondContact O-OD1 2.58Å
339	K	87.6	Confident	91.3	Very high	144 Å²	144	47.4 Å²	47.4	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.9	177.5	-70.2	177.2	-170.9	176	0	113.7	E335 V336 L337	E335-K339 HydrophobicContact CG-CD 4.27Å; E335-K339 WeakPolarHBondContact O-CB 3.46Å; E335-K339 WeakPolarHBondContact O-CD 3.4Å; E335-K339 WeakPolarHBondContact O-CG 3.41Å; E335-K339 IonicContact OE1-NZ 2.93Å; E335-K339 PolarHBondContact OE1-NZ 3.13Å; V336-K339 PolarHBondContact O-N 3.05Å; L337-K339 PolarHBondContact O-N 3.03Å
340	A	82.9	Confident	91.4	Very high	36 Å²	36	43.7 Å²	43.7	30%	0.298	25%	0.245	S	C	.	.			trans	-77.2	126.5	179.3	0	0	0	0	0	111.2	V336 L337 D342 S343	V336-A340 PolarHBondContact O-N 3.34Å; L337-A340 PolarHBondContact O-N 3.37Å; A340-D342 PolarHBondContact O-N 3.21Å; A340-S343 PolarHBondContact O-N 2.84Å
341	T	74	Confident	91.3	Very high	157 Å²	157	44.6 Å²	44.6	96%	0.963	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	177.6	-37.2	0	0	0	0	113.1
342	D	78.4	Confident	91.1	Very high	147 Å²	147	43.7 Å²	43.7	79%	0.786	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	68.2	173.6	-169.2	23	0	0	0	107.5	A340	A340-D342 PolarHBondContact O-N 3.21Å
343	S	81.8	Confident	90.6	Very high	49 Å²	49	42.4 Å²	42.4	34%	0.343	24%	0.242	S	C	.	.			trans	-75.9	123.4	-175.9	-171.1	0	0	0	0	110.4	L337 A340 G345	L337-S343 VanDerWaalsContact O-CB 3.3Å; L337-S343 WeakPolarHBondContact O-CB 3.41Å; L337-S343 PolarHBondContact O-OG 2.92Å; A340-S343 PolarHBondContact O-N 2.84Å; S343-G345 PolarHBondContact O-N 3.29Å
344	P	87.3	Confident	90.3	Very high	37 Å²	37	46.8 Å²	46.8	24%	0.24	27%	0.269	C	S	.	.			trans	-76.5	-7.1	-177	34.5	-39.7	0	0	0	113.5	A310 L337 M395	A310-P344 VanDerWaalsContact CB-O 3.3Å; A310-P344 WeakPolarHBondContact CB-O 3.41Å; L337-P344 HydrophobicContact CD2-CG 3.79Å; P344-M395 VanDerWaalsContact CB-O 3.3Å; P344-M395 WeakPolarHBondContact CB-O 3.22Å; P344-M395 HydrophobicContact CG-CB 4.04Å
345	G	92.7	Very high	90.1	Very high	9 Å²	9	48.6 Å²	48.6	9%	0.093	28%	0.277	C	S	.	.			trans	154.1	169.4	179.2	0	0	0	0	0	112.9	A310 S343	A310-G345 CarbonylContact O-C 3.53Å; A310-G345 WeakPolarHBondContact O-CA 3.25Å; S343-G345 PolarHBondContact O-N 3.29Å
346	V	95.3	Very high	89.9	Confident	15 Å²	15	50.3 Å²	50.3	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	161.7	-173.1	-65.5	0	0	0	0	113.2	F294 F304 H308 A310 A311 L312	F294-V346 HydrophobicContact CD2-CB 4.11Å; F294-V346 HydrophobicContact CD2-CG1 4.45Å; F294-V346 HydrophobicContact CE2-CB 4.1Å; F294-V346 HydrophobicContact CE2-CG1 3.95Å; F304-V346 HydrophobicContact CE1-CG2 3.86Å; F304-V346 HydrophobicContact CZ-CB 4.47Å; F304-V346 HydrophobicContact CZ-CG2 3.57Å; H308-V346 HydrophobicContact CB-CG2 3.72Å; A310-V346 PolarHBondContact O-N 2.92Å; A311-V346 WeakPolarHBondContact CA-O 3.43Å; A311-V346 HydrophobicContact CB-CG2 3.95Å; L312-V346 PolarHBondContact N-O 3.09Å
347	L	97.6	Very high	90	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.9	173	-75.1	166.7	0	0	0	110.6	F294 L312 Y330 A333 A334 L337 I391	F294-L347 PolarHBondContact N-O 2.93Å; L312-L347 HydrophobicContact CB-CD2 3.71Å; L312-L347 HydrophobicContact CD2-CD2 3.57Å; L312-L347 HydrophobicContact CG-CD2 4.03Å; L312-L347 WeakPolarHBondContact O-CA 3.01Å; Y330-L347 HydrophobicContact CD2-CD2 4.37Å; Y330-L347 HydrophobicContact CE1-CB 4.01Å; Y330-L347 HydrophobicContact CE1-CD2 3.94Å; Y330-L347 HydrophobicContact CE1-CG 4.49Å; Y330-L347 HydrophobicContact CE2-CD2 3.66Å; Y330-L347 VanDerWaalsContact CZ-CD2 3.41Å; Y330-L347 WeakPolarHBondContact OH-CD2 3.49Å; A333-L347 HydrophobicContact CB-CD1 3.63Å; A334-L347 HydrophobicContact CB-CB 3.83Å; A334-L347 HydrophobicContact CB-CD1 3.8Å; A334-L347 HydrophobicContact CB-CG 4.42Å; A334-L347 VanDerWaalsContact N-CD1 3.3Å; L337-L347 HydrophobicContact CD1-CD1 3.7Å; L337-L347 HydrophobicContact CD1-CG 4.03Å; L347-I391 HydrophobicContact CD1-CG2 3.84Å; L347-I391 HydrophobicContact CD2-CG2 3.74Å; L347-I391 HydrophobicContact CG-CG2 4.42Å
348	A	97.6	Very high	90.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.7	-175.6	0	0	0	0	0	112.5	F294 L296 F304 L312 V313 M314 Y330	F294-A348 HydrophobicContact CB-CB 4.08Å; F294-A348 CarbonylContact O-C 3.5Å; F294-A348 WeakPolarHBondContact O-CA 3.43Å; F294-A348 VanDerWaalsContact O-CB 3.28Å; F294-A348 WeakPolarHBondContact O-CB 3.35Å; L296-A348 HydrophobicContact CD1-CB 3.82Å; L296-A348 HydrophobicContact CG-CB 4.09Å; F304-A348 HydrophobicContact CE1-CB 3.73Å; F304-A348 HydrophobicContact CZ-CB 4.03Å; L312-A348 PolarHBondContact O-N 3.12Å; V313-A348 CarbonylContact C-O 3.58Å; V313-A348 WeakPolarHBondContact CA-O 3.39Å; V313-A348 HydrophobicContact CG2-CB 4.3Å; M314-A348 PolarHBondContact N-O 3.5Å; Y330-A348 WeakPolarHBondContact CE1-O 3.18Å; Y330-A348 PolarHBondContact OH-O 2.86Å
349	A	97.4	Very high	90.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.1	-176.1	0	0	0	0	0	113.7	W286 V293 F294 L296 M314 Y316	W286-A349 HydrophobicContact CE3-CB 3.91Å; W286-A349 HydrophobicContact CH2-CB 4.06Å; W286-A349 HydrophobicContact CZ3-CB 3.44Å; W286-A349 VanDerWaalsContact CZ3-CB 3.44Å; V293-A349 HydrophobicContact CG1-CB 3.74Å; F294-A349 PolarHBondContact O-N 2.97Å; L296-A349 PolarHBondContact N-O 3.07Å; M314-A349 HydrophobicContact CB-CB 4.49Å; M314-A349 WeakPolarHBondContact O-CA 3.17Å; Y316-A349 HydrophobicContact CD1-CB 4.11Å; Y316-A349 HydrophobicContact CE1-CB 4.01Å
350	V	97.1	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.3	179	177.4	0	0	0	0	109.4	L296 F301 V313 M314 F315 Y316 A352 H355	L296-V350 HydrophobicContact CB-CG2 3.93Å; F301-V350 HydrophobicContact CD2-CG2 3.9Å; F301-V350 HydrophobicContact CE2-CG2 3.96Å; V313-V350 HydrophobicContact CG1-CG2 4.03Å; M314-V350 PolarHBondContact O-N 3.31Å; F315-V350 HydrophobicContact CD1-CB 3.73Å; F315-V350 HydrophobicContact CD1-CG1 4.03Å; F315-V350 HydrophobicContact CD1-CG2 4.29Å; F315-V350 HydrophobicContact CE1-CB 3.8Å; F315-V350 HydrophobicContact CE1-CG1 4.07Å; F315-V350 HydrophobicContact CE1-CG2 3.85Å; Y316-V350 VanDerWaalsContact CD1-O 3.22Å; Y316-V350 WeakPolarHBondContact CD1-O 3.32Å; Y316-V350 PolarHBondContact N-O 3.09Å; V350-A352 PolarHBondContact O-N 2.94Å; V350-A352 VanDerWaalsContact O-N 3.14Å; V350-H355 HydrophobicContact CG1-CB 3.87Å
351	D	95	Very high	91	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	91.9	165.9	-165.6	-40.9	0	0	0	109.2	Y316 P318 T353 V354 H355	Y316-D351 HydrophobicContact CE1-CB 4.06Å; Y316-D351 HydrophobicContact CE2-CB 4.03Å; Y316-D351 WeakPolarHBondContact CE2-OD2 3.43Å; P318-D351 VanDerWaalsContact CD-OD2 3.27Å; P318-D351 WeakPolarHBondContact CD-OD2 3.2Å; D351-T353 PolarHBondContact O-N 3.37Å; D351-T353 WeakPolarHBondContact OD1-CA 3.47Å; D351-T353 WeakPolarHBondContact OD1-CB 3.45Å; D351-T353 PolarHBondContact OD1-N 3.4Å; D351-T353 PolarHBondContact OD1-OG1 3.15Å; D351-V354 HydrophobicContact CB-CB 4.49Å; D351-V354 HydrophobicContact CB-CG2 4.44Å; D351-V354 PolarHBondContact O-N 2.63Å; D351-V354 PolarHBondContact OD1-N 2.88Å; D351-H355 PolarHBondContact O-N 3.23Å
352	A	92.1	Very high	91.9	Very high	13 Å²	13	44.6 Å²	44.6	11%	0.107	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	4.6	-177.5	0	0	0	0	0	113.3	F315 Y316 V350 F367	F315-A352 HydrophobicContact CD1-CB 4.46Å; Y316-A352 PolarHBondContact O-N 3.44Å; Y316-A352 VanDerWaalsContact O-N 3.13Å; V350-A352 PolarHBondContact O-N 2.94Å; V350-A352 VanDerWaalsContact O-N 3.14Å; A352-F367 HydrophobicContact CB-CE1 3.96Å; A352-F367 HydrophobicContact CB-CZ 4.36Å
353	T	83.7	Confident	92.5	Very high	45 Å²	45	46 Å²	46	28%	0.276	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-23	167.7	75.2	0	0	0	0	112.2	A317 W319 D351 K356 F367	A317-T353 HydrophobicContact CB-CG2 3.43Å; A317-T353 VanDerWaalsContact CB-CG2 3.43Å; W319-T353 HydrophobicContact CZ2-CG2 4.39Å; D351-T353 PolarHBondContact O-N 3.37Å; D351-T353 WeakPolarHBondContact OD1-CA 3.47Å; D351-T353 WeakPolarHBondContact OD1-CB 3.45Å; D351-T353 PolarHBondContact OD1-N 3.4Å; D351-T353 PolarHBondContact OD1-OG1 3.15Å; T353-K356 WeakPolarHBondContact O-CE 3.34Å; T353-F367 HydrophobicContact CG2-CE2 4.46Å; T353-F367 HydrophobicContact CG2-CZ 4.39Å
354	V	89.2	Confident	92.9	Very high	93 Å²	93	44.9 Å²	44.9	56%	0.564	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-57.5	171	-178.4	0	0	0	0	110	D351 K356	D351-V354 HydrophobicContact CB-CB 4.49Å; D351-V354 HydrophobicContact CB-CG2 4.44Å; D351-V354 PolarHBondContact O-N 2.63Å; D351-V354 PolarHBondContact OD1-N 2.88Å; V354-K356 PolarHBondContact O-N 3.46Å
355	H	93.1	Very high	92.6	Very high	38 Å²	38	49.1 Å²	49.1	18%	0.176	27%	0.265	C	S	.	.			trans	-88.4	84.8	-174.4	-61.4	-56.5	0	0	0	111.1	T297 D298 V350 D351 G359	T297-H355 VanDerWaalsContact CB-CE1 3.46Å; T297-H355 WeakPolarHBondContact CB-CE1 3.35Å; D298-H355 HydrophobicContact CB-CB 4.5Å; D298-H355 PolarHBondContact N-ND1 3.16Å; D298-H355 VanDerWaalsContact OD1-C 3.26Å; D298-H355 VanDerWaalsContact OD2-C 3.31Å; D298-H355 WeakPolarHBondContact OD2-CA 3.27Å; D298-H355 IonicContact OD2-ND1 2.72Å; V350-H355 HydrophobicContact CG1-CB 3.87Å; D351-H355 PolarHBondContact O-N 3.23Å; H355-G359 PolarHBondContact O-N 3.13Å
356	K	90.1	Very high	92	Very high	126 Å²	126	50 Å²	50	55%	0.548	28%	0.275	S	S	.	.	H	α-helix	trans	-87.9	-28.3	-168.6	-68.1	-179.7	-175.9	176.2	0	113	D298 T353 V354 V358 G359 D360	D298-K356 PolarHBondContact OD2-N 2.73Å; T353-K356 WeakPolarHBondContact O-CE 3.34Å; V354-K356 PolarHBondContact O-N 3.46Å; K356-V358 PolarHBondContact O-N 2.62Å; K356-G359 PolarHBondContact O-N 3.34Å; K356-D360 WeakPolarHBondContact O-CB 3.21Å; K356-D360 PolarHBondContact O-N 2.94Å
357	A	93.9	Very high	91.5	Very high	65 Å²	65	51.6 Å²	51.6	54%	0.537	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-43.8	-178.5	0	0	0	0	0	110.7	D298 R361	D298-A357 HydrophobicContact CB-CB 4.33Å; D298-A357 WeakPolarHBondContact OD1-CB 3.43Å; D298-A357 PolarHBondContact OD1-N 2.79Å; D298-A357 PolarHBondContact OD2-N 3.31Å; A357-R361 WeakPolarHBondContact O-CB 3.41Å; A357-R361 PolarHBondContact O-N 3.3Å
358	V	94.9	Very high	91.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-68.4	-42.7	172.2	177.3	0	0	0	0	110.8	D298 F301 F315 K356 D360 R361 F362	D298-V358 WeakPolarHBondContact OD1-CB 3.36Å; D298-V358 WeakPolarHBondContact OD1-CG2 3.43Å; D298-V358 PolarHBondContact OD1-N 3.32Å; F301-V358 HydrophobicContact CB-CG2 3.82Å; F301-V358 HydrophobicContact CD1-CG1 4.22Å; F301-V358 HydrophobicContact CD1-CG2 4.42Å; F301-V358 HydrophobicContact CD2-CG1 3.54Å; F301-V358 HydrophobicContact CD2-CG2 4.24Å; F301-V358 HydrophobicContact CE1-CG1 4.27Å; F301-V358 HydrophobicContact CE2-CG1 3.59Å; F301-V358 HydrophobicContact CG-CG1 3.86Å; F301-V358 HydrophobicContact CG-CG2 3.91Å; F301-V358 HydrophobicContact CZ-CG1 3.98Å; F315-V358 HydrophobicContact CE1-CG1 3.69Å; F315-V358 HydrophobicContact CZ-CG1 4.21Å; K356-V358 PolarHBondContact O-N 2.62Å; V358-D360 PolarHBondContact O-N 3.08Å; V358-R361 PolarHBondContact O-N 3.46Å; V358-F362 HydrophobicContact CG1-CD2 3.72Å; V358-F362 HydrophobicContact CG1-CE2 3.97Å; V358-F362 WeakPolarHBondContact O-CD2 3.21Å; V358-F362 PolarHBondContact O-N 2.68Å
359	G	91.6	Very high	91.1	Very high	4 Å²	4	53.1 Å²	53.1	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-45.1	177.5	0	0	0	0	0	113.9	H355 K356 K363 I364	H355-G359 PolarHBondContact O-N 3.13Å; K356-G359 PolarHBondContact O-N 3.34Å; G359-K363 PolarHBondContact O-N 2.91Å; G359-K363 VanDerWaalsContact O-N 3.15Å; G359-I364 WeakPolarHBondContact O-CG1 3.32Å; G359-I364 PolarHBondContact O-N 3.04Å
360	D	93	Very high	91	Very high	125 Å²	125	53.2 Å²	53.2	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-72.9	-42.2	177.4	-72.8	-28	0	0	0	111.5	K356 V358 F362 K363	K356-D360 WeakPolarHBondContact O-CB 3.21Å; K356-D360 PolarHBondContact O-N 2.94Å; V358-D360 PolarHBondContact O-N 3.08Å; D360-F362 VanDerWaalsContact C-N 3.31Å; D360-F362 PolarHBondContact O-N 2.82Å; D360-K363 PolarHBondContact O-N 3.04Å
361	R	95	Very high	91	Very high	124 Å²	124	54 Å²	54	47%	0.468	29%	0.294	S	S	.	.	H	α-helix	trans	-53.4	-45.5	175.4	172.7	177.3	170.5	-173.2	-6.9	112.1	D302 A357 V358	D302-R361 IonicContact OD1-CZ 3.61Å; D302-R361 VanDerWaalsContact OD1-CZ 3.24Å; D302-R361 IonicContact OD1-NH1 3.94Å; D302-R361 PolarHBondContact OD1-NH1 3.44Å; D302-R361 IonicContact OD1-NH2 2.68Å; D302-R361 PolarHBondContact OD1-NH2 3.13Å; D302-R361 IonicContact OD2-CZ 2.72Å; D302-R361 IonicContact OD2-NH1 3.36Å; D302-R361 PolarHBondContact OD2-NH1 3.22Å; D302-R361 IonicContact OD2-NH2 2.63Å; A357-R361 WeakPolarHBondContact O-CB 3.41Å; A357-R361 PolarHBondContact O-N 3.3Å; V358-R361 PolarHBondContact O-N 3.46Å
362	F	93.5	Very high	91.1	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.105	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10	178.8	-64.7	-70.2	0	0	0	114.3	F301 F315 V358 D360 I364 K371 F373 E378	F301-F362 HydrophobicContact CD1-CE2 4.11Å; F301-F362 HydrophobicContact CE1-CD2 4.28Å; F301-F362 AromaticContact CE1-CE2 3.31Å; F301-F362 HydrophobicContact CE1-CE2 3.31Å; F301-F362 AromaticContact CE1-CZ 3.71Å; F301-F362 HydrophobicContact CE1-CZ 3.71Å; F301-F362 HydrophobicContact CZ-CD2 4.17Å; F301-F362 AromaticContact CZ-CE2 3.61Å; F301-F362 HydrophobicContact CZ-CE2 3.61Å; F301-F362 HydrophobicContact CZ-CZ 4.18Å; F315-F362 HydrophobicContact CZ-CD2 4.27Å; V358-F362 HydrophobicContact CG1-CD2 3.72Å; V358-F362 HydrophobicContact CG1-CE2 3.97Å; V358-F362 WeakPolarHBondContact O-CD2 3.21Å; V358-F362 PolarHBondContact O-N 2.68Å; D360-F362 VanDerWaalsContact C-N 3.31Å; D360-F362 PolarHBondContact O-N 2.82Å; F362-I364 HydrophobicContact CB-CD1 4.15Å; F362-I364 HydrophobicContact CB-CG1 4.37Å; F362-I364 PolarHBondContact O-N 3.03Å; F362-K371 HydrophobicContact CB-CD 4.1Å; F362-K371 VanDerWaalsContact O-CE 3.3Å; F362-K371 WeakPolarHBondContact O-CE 3.39Å; F362-K371 PolarHBondContact O-NZ 3.15Å; F362-F373 HydrophobicContact CD1-CE1 4.21Å; F362-F373 HydrophobicContact CD1-CZ 4.02Å; F362-F373 AromaticContact CE1-CE1 3.52Å; F362-F373 HydrophobicContact CE1-CE1 3.52Å; F362-F373 AromaticContact CE1-CZ 3.77Å; F362-F373 HydrophobicContact CE1-CZ 3.77Å; F362-F373 HydrophobicContact CE2-CE1 4.42Å; F362-F373 HydrophobicContact CE2-CZ 4.3Å; F362-F373 HydrophobicContact CG-CZ 4.4Å; F362-F373 AromaticContact CZ-CE1 3.64Å; F362-F373 HydrophobicContact CZ-CE1 3.64Å; F362-F373 AromaticContact CZ-CZ 3.92Å; F362-F373 HydrophobicContact CZ-CZ 3.92Å; F362-E378 HydrophobicContact CE1-CB 4.44Å
363	K	91	Very high	91.3	Very high	177 Å²	177	52.8 Å²	52.8	77%	0.77	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	44.1	171.5	-57.4	173.8	-175.7	170.3	0	113.4	G359 D360 S365	G359-K363 PolarHBondContact O-N 2.91Å; G359-K363 VanDerWaalsContact O-N 3.15Å; D360-K363 PolarHBondContact O-N 3.04Å; K363-S365 PolarHBondContact O-N 2.86Å
364	I	89.6	Confident	91.8	Very high	26 Å²	26	53.8 Å²	53.8	13%	0.133	29%	0.287	C	S	.	.			trans	-72.9	98.5	-176.1	-53.5	-59	0	0	0	110.7	F315 G359 F362 F367 T369 K371	F315-I364 HydrophobicContact CB-CD1 3.91Å; F315-I364 HydrophobicContact CB-CG1 4.02Å; F315-I364 HydrophobicContact CB-CG2 3.92Å; F315-I364 HydrophobicContact CD1-CD1 4.11Å; F315-I364 HydrophobicContact CD1-CG1 3.89Å; F315-I364 HydrophobicContact CD2-CD1 3.62Å; F315-I364 HydrophobicContact CD2-CG1 4.31Å; F315-I364 HydrophobicContact CE2-CD1 4.2Å; F315-I364 HydrophobicContact CG-CD1 3.57Å; F315-I364 HydrophobicContact CG-CG1 3.77Å; G359-I364 WeakPolarHBondContact O-CG1 3.32Å; G359-I364 PolarHBondContact O-N 3.04Å; F362-I364 HydrophobicContact CB-CD1 4.15Å; F362-I364 HydrophobicContact CB-CG1 4.37Å; F362-I364 PolarHBondContact O-N 3.03Å; I364-F367 HydrophobicContact CG2-CD1 4.1Å; I364-F367 HydrophobicContact CG2-CE1 3.56Å; I364-F367 HydrophobicContact CG2-CZ 4.32Å; I364-T369 HydrophobicContact CD1-CG2 3.71Å; I364-K371 HydrophobicContact CD1-CD 4.17Å
365	S	81.6	Confident	92	Very high	125 Å²	125	56.9 Å²	56.9	87%	0.874	29%	0.292	S	S	*	.			trans	-98.4	2.4	-177.2	56.9	0	0	0	0	114.9	K363	K363-S365 PolarHBondContact O-N 2.86Å
366	G	79.6	Confident	91.8	Very high	28 Å²	28	56.7 Å²	56.7	29%	0.289	30%	0.301	S	S	.	.	S	Bend	trans	-170	168.2	-177.9	0	0	0	0	0	112.8	T369	G366-T369 PolarHBondContact O-OG1 2.82Å
367	F	85.6	Confident	91.9	Very high	48 Å²	48	56.4 Å²	56.4	21%	0.211	30%	0.302	C	S	.	.	S	Bend	trans	-136.7	137.7	-169	-58.2	-61.6	0	0	0	113.7	A317 W319 C320 A352 T353 I364	A317-F367 HydrophobicContact CB-CB 4.37Å; A317-F367 HydrophobicContact CB-CD1 4.22Å; A317-F367 HydrophobicContact CB-CD2 3.54Å; A317-F367 HydrophobicContact CB-CE1 4.43Å; A317-F367 HydrophobicContact CB-CE2 3.78Å; A317-F367 HydrophobicContact CB-CG 3.78Å; A317-F367 HydrophobicContact CB-CZ 4.23Å; W319-F367 AromaticContact CH2-CD2 3.94Å; W319-F367 HydrophobicContact CH2-CD2 3.94Å; W319-F367 HydrophobicContact CH2-CE2 4.22Å; W319-F367 HydrophobicContact CZ2-CD2 4.18Å; W319-F367 HydrophobicContact CZ2-CE2 4.1Å; C320-F367 HydrophobicContact CB-CB 4.13Å; C320-F367 PolarHBondContact SG-O 3.26Å; C320-F367 VanDerWaalsContact SG-O 3.4Å; A352-F367 HydrophobicContact CB-CE1 3.96Å; A352-F367 HydrophobicContact CB-CZ 4.36Å; T353-F367 HydrophobicContact CG2-CE2 4.46Å; T353-F367 HydrophobicContact CG2-CZ 4.39Å; I364-F367 HydrophobicContact CG2-CD1 4.1Å; I364-F367 HydrophobicContact CG2-CE1 3.56Å; I364-F367 HydrophobicContact CG2-CZ 4.32Å
368	P	92.1	Very high	91.9	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.039	29%	0.292	C	S	.	.	S	Bend	cis	-72.6	146.4	-11.9	30.5	-33.8	0	0	0	111.5	M314 F315 M326	M314-P368 HydrophobicContact CE-CB 3.77Å; M314-P368 HydrophobicContact CE-CG 4.42Å; M314-P368 HydrophobicContact CG-CB 4.34Å; F315-P368 WeakPolarHBondContact O-CA 3.35Å; M326-P368 HydrophobicContact SD-CB 4.12Å; M326-P368 HydrophobicContact SD-CG 3.74Å
369	T	93.9	Very high	91.9	Very high	26 Å²	26	59.9 Å²	59.9	16%	0.16	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	163	-77.9	0	0	0	0	107.9	F315 I364 G366 K371 T381	F315-T369 WeakPolarHBondContact CB-O 3.43Å; F315-T369 PolarHBondContact N-O 3.36Å; F315-T369 PolarHBondContact O-N 2.98Å; F315-T369 VanDerWaalsContact O-N 3.07Å; I364-T369 HydrophobicContact CD1-CG2 3.71Å; G366-T369 PolarHBondContact O-OG1 2.82Å; T369-K371 HydrophobicContact CG2-CG 4.32Å; T369-T381 HydrophobicContact CG2-CG2 4.33Å
370	V	96.4	Very high	91.9	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.8	178.1	-168.6	0	0	0	0	108.6	L312 V313 M326 L382	L312-V370 HydrophobicContact CD1-CG1 3.56Å; L312-V370 HydrophobicContact CD2-CG1 3.91Å; L312-V370 HydrophobicContact CG-CG1 3.59Å; V313-V370 WeakPolarHBondContact O-CA 3.46Å; M326-V370 HydrophobicContact CE-CG2 3.74Å; M326-V370 HydrophobicContact SD-CG2 4.48Å; V370-L382 HydrophobicContact CB-CB 4.32Å; V370-L382 PolarHBondContact O-N 2.99Å
371	K	96.1	Very high	91.8	Very high	16 Å²	16	59.4 Å²	59.4	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.2	176.4	-74.5	168.7	177.8	-82.4	0	110.1	V313 F315 F362 I364 T369 F373 E378 Y380 T381	V313-K371 PolarHBondContact N-O 2.9Å; V313-K371 PolarHBondContact O-N 3.11Å; F315-K371 HydrophobicContact CD2-CD 4.24Å; F315-K371 HydrophobicContact CE2-CB 4.19Å; F315-K371 HydrophobicContact CE2-CD 3.81Å; F315-K371 HydrophobicContact CE2-CG 4.37Å; F362-K371 HydrophobicContact CB-CD 4.1Å; F362-K371 VanDerWaalsContact O-CE 3.3Å; F362-K371 WeakPolarHBondContact O-CE 3.39Å; F362-K371 PolarHBondContact O-NZ 3.15Å; I364-K371 HydrophobicContact CD1-CD 4.17Å; T369-K371 HydrophobicContact CG2-CG 4.32Å; K371-F373 HydrophobicContact CB-CD2 4.31Å; K371-F373 HydrophobicContact CB-CE2 3.59Å; K371-F373 HydrophobicContact CB-CZ 4.15Å; K371-F373 HydrophobicContact CD-CZ 4.45Å; K371-E378 HydrophobicContact CB-CG 4.39Å; K371-E378 HydrophobicContact CD-CG 4.46Å; K371-E378 HydrophobicContact CG-CG 4.43Å; K371-E378 IonicContact NZ-OE1 2.62Å; K371-E378 PolarHBondContact NZ-OE1 2.92Å; K371-E378 IonicContact NZ-OE2 2.63Å; K371-E378 PolarHBondContact NZ-OE2 3.05Å; K371-Y380 CarbonylContact C-O 3.06Å; K371-Y380 VanDerWaalsContact CA-O 3.3Å; K371-Y380 WeakPolarHBondContact CA-O 3.27Å; K371-T381 PolarHBondContact NZ-OG1 3.36Å
372	Y	97.2	Very high	91.5	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.3	172.5	177.4	-111.5	0	0	0	110	A310 L312 E374 K379 Y380 F394 M395 P398	A310-Y372 HydrophobicContact CB-CE2 4.28Å; L312-Y372 HydrophobicContact CB-CD2 4.45Å; L312-Y372 HydrophobicContact CD1-CD2 4.36Å; Y372-E374 HydrophobicContact CE1-CB 3.97Å; Y372-K379 HydrophobicContact CD1-CB 4.1Å; Y372-K379 HydrophobicContact CD1-CG 4.39Å; Y372-K379 HydrophobicContact CE1-CG 4.47Å; Y372-K379 PolarHBondContact O-N 2.94Å; Y372-Y380 AromaticContact CD1-CD2 3.79Å; Y372-Y380 HydrophobicContact CD1-CD2 3.79Å; Y372-Y380 HydrophobicContact CD1-CE2 4.22Å; Y372-Y380 PolarHBondContact N-O 3.08Å; Y372-Y380 PolarHBondContact O-N 3.29Å; Y372-F394 HydrophobicContact CD1-CE1 4.41Å; Y372-F394 HydrophobicContact CD1-CZ 4.07Å; Y372-F394 AromaticContact CD2-CE1 3.77Å; Y372-F394 HydrophobicContact CD2-CE1 3.77Å; Y372-F394 HydrophobicContact CD2-CZ 4.24Å; Y372-F394 HydrophobicContact CE2-CE1 4.45Å; Y372-F394 AromaticContact CG-CE1 3.74Å; Y372-F394 HydrophobicContact CG-CE1 3.74Å; Y372-F394 AromaticContact CG-CZ 3.76Å; Y372-F394 HydrophobicContact CG-CZ 3.76Å; Y372-M395 HydrophobicContact CD2-SD 4.13Å; Y372-M395 HydrophobicContact CE2-CE 4.38Å; Y372-M395 HydrophobicContact CE2-SD 4.1Å; Y372-P398 HydrophobicContact CD1-CB 4.23Å; Y372-P398 HydrophobicContact CE1-CB 3.64Å; Y372-P398 HydrophobicContact CE1-CG 4.27Å; Y372-P398 HydrophobicContact CE2-CB 4.42Å; Y372-P398 HydrophobicContact CE2-CG 4.38Å
373	F	96.7	Very high	90.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.5	178.9	-67.5	-94.9	0	0	0	109.8	F301 L305 A310 A311 V313 F315 F362 K371 E377 E378	F301-F373 HydrophobicContact CE1-CE1 4.34Å; F301-F373 HydrophobicContact CE1-CZ 4.32Å; F301-F373 HydrophobicContact CZ-CE1 4.21Å; F301-F373 HydrophobicContact CZ-CE2 4.1Å; F301-F373 AromaticContact CZ-CZ 3.76Å; F301-F373 HydrophobicContact CZ-CZ 3.76Å; L305-F373 HydrophobicContact CD1-CB 4.14Å; L305-F373 HydrophobicContact CD1-CD1 3.48Å; L305-F373 VanDerWaalsContact CD1-CD1 3.48Å; L305-F373 HydrophobicContact CD1-CD2 4.43Å; L305-F373 HydrophobicContact CD1-CE1 3.92Å; L305-F373 HydrophobicContact CD1-CG 3.77Å; L305-F373 HydrophobicContact CD2-CB 3.77Å; L305-F373 HydrophobicContact CD2-CD2 4.48Å; L305-F373 HydrophobicContact CD2-CG 4.05Å; A310-F373 WeakPolarHBondContact CA-O 3.42Å; A311-F373 PolarHBondContact N-O 3.48Å; A311-F373 PolarHBondContact O-N 3.03Å; V313-F373 HydrophobicContact CB-CD2 4.25Å; V313-F373 HydrophobicContact CB-CE2 4.02Å; V313-F373 HydrophobicContact CG2-CD2 3.63Å; V313-F373 HydrophobicContact CG2-CE2 3.79Å; F315-F373 HydrophobicContact CE2-CE2 4.38Å; F362-F373 HydrophobicContact CD1-CE1 4.21Å; F362-F373 HydrophobicContact CD1-CZ 4.02Å; F362-F373 AromaticContact CE1-CE1 3.52Å; F362-F373 HydrophobicContact CE1-CE1 3.52Å; F362-F373 AromaticContact CE1-CZ 3.77Å; F362-F373 HydrophobicContact CE1-CZ 3.77Å; F362-F373 HydrophobicContact CE2-CE1 4.42Å; F362-F373 HydrophobicContact CE2-CZ 4.3Å; F362-F373 HydrophobicContact CG-CZ 4.4Å; F362-F373 AromaticContact CZ-CE1 3.64Å; F362-F373 HydrophobicContact CZ-CE1 3.64Å; F362-F373 AromaticContact CZ-CZ 3.92Å; F362-F373 HydrophobicContact CZ-CZ 3.92Å; K371-F373 HydrophobicContact CB-CD2 4.31Å; K371-F373 HydrophobicContact CB-CE2 3.59Å; K371-F373 HydrophobicContact CB-CZ 4.15Å; K371-F373 HydrophobicContact CD-CZ 4.45Å; F373-E377 VanDerWaalsContact CA-O 3.26Å; F373-E377 WeakPolarHBondContact CA-O 3.32Å; F373-E378 HydrophobicContact CD1-CB 4.09Å; F373-E378 HydrophobicContact CE1-CB 3.73Å; F373-E378 HydrophobicContact CE1-CG 4.42Å; F373-E378 HydrophobicContact CZ-CB 4.26Å; F373-E378 HydrophobicContact CZ-CG 4.49Å
374	E	94.8	Very high	90.2	Very high	66 Å²	66	55.6 Å²	55.6	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.7	174.5	178.6	-166.1	-90.3	0	0	108.5	P309 Y372 G376 E377 K379	P309-E374 CarbonylContact O-C 3.15Å; P309-E374 VanDerWaalsContact O-CA 3.28Å; P309-E374 WeakPolarHBondContact O-CA 3.49Å; Y372-E374 HydrophobicContact CE1-CB 3.97Å; E374-G376 PolarHBondContact O-N 2.99Å; E374-E377 PolarHBondContact N-O 3.35Å; E374-E377 PolarHBondContact O-N 3.22Å; E374-E377 VanDerWaalsContact O-N 3.14Å; E374-K379 HydrophobicContact CB-CD 4.36Å; E374-K379 HydrophobicContact CB-CG 3.73Å; E374-K379 WeakPolarHBondContact O-CE 3.35Å; E374-K379 WeakPolarHBondContact OE2-CE 3.25Å; E374-K379 IonicContact OE2-NZ 2.67Å
375	K	92.1	Very high	90.2	Very high	158 Å²	158	55.2 Å²	55.2	69%	0.687	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	50.5	-178.6	-58.2	161.4	-171.5	160.4	0	112.4	P309 E377	P309-K375 HydrophobicContact CB-CG 4.49Å; P309-K375 PolarHBondContact O-N 3.46Å; K375-E377 PolarHBondContact O-N 3.27Å
376	G	89.2	Confident	90.6	Very high	34 Å²	34	54.2 Å²	54.2	35%	0.351	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-18.3	-177.6	0	0	0	0	0	116.3	E374	E374-G376 PolarHBondContact O-N 2.99Å
377	E	92.5	Very high	91.2	Very high	121 Å²	121	54.9 Å²	54.9	57%	0.565	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	135.1	-175.5	-63.7	-173.4	155.7	0	0	112.7	F373 E374 K375 K379	F373-E377 VanDerWaalsContact CA-O 3.26Å; F373-E377 WeakPolarHBondContact CA-O 3.32Å; E374-E377 PolarHBondContact N-O 3.35Å; E374-E377 PolarHBondContact O-N 3.22Å; E374-E377 VanDerWaalsContact O-N 3.14Å; K375-E377 PolarHBondContact O-N 3.27Å; E377-K379 HydrophobicContact CB-CD 4.35Å; E377-K379 PolarHBondContact O-N 3.17Å; E377-K379 IonicContact OE2-NZ 2.64Å; E377-K379 PolarHBondContact OE2-NZ 3.29Å
378	E	94	Very high	91.6	Very high	70 Å²	70	55 Å²	55	33%	0.327	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	117.6	164.9	-175.4	-171.1	157.2	0	0	109	F362 K371 F373 T381	F362-E378 HydrophobicContact CE1-CB 4.44Å; K371-E378 HydrophobicContact CB-CG 4.39Å; K371-E378 HydrophobicContact CD-CG 4.46Å; K371-E378 HydrophobicContact CG-CG 4.43Å; K371-E378 IonicContact NZ-OE1 2.62Å; K371-E378 PolarHBondContact NZ-OE1 2.92Å; K371-E378 IonicContact NZ-OE2 2.63Å; K371-E378 PolarHBondContact NZ-OE2 3.05Å; F373-E378 HydrophobicContact CD1-CB 4.09Å; F373-E378 HydrophobicContact CE1-CB 3.73Å; F373-E378 HydrophobicContact CE1-CG 4.42Å; F373-E378 HydrophobicContact CZ-CB 4.26Å; F373-E378 HydrophobicContact CZ-CG 4.49Å; E378-T381 PolarHBondContact OE1-OG1 3.05Å
379	K	93.9	Very high	91.7	Very high	71 Å²	71	60.6 Å²	60.6	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-49.3	172.9	-54.4	-57.2	-174.7	177.7	0	111.5	Y372 E374 E377	Y372-K379 HydrophobicContact CD1-CB 4.1Å; Y372-K379 HydrophobicContact CD1-CG 4.39Å; Y372-K379 HydrophobicContact CE1-CG 4.47Å; Y372-K379 PolarHBondContact O-N 2.94Å; E374-K379 HydrophobicContact CB-CD 4.36Å; E374-K379 HydrophobicContact CB-CG 3.73Å; E374-K379 WeakPolarHBondContact O-CE 3.35Å; E374-K379 WeakPolarHBondContact OE2-CE 3.25Å; E374-K379 IonicContact OE2-NZ 2.67Å; E377-K379 HydrophobicContact CB-CD 4.35Å; E377-K379 PolarHBondContact O-N 3.17Å; E377-K379 IonicContact OE2-NZ 2.64Å; E377-K379 PolarHBondContact OE2-NZ 3.29Å
380	Y	91.8	Very high	91.6	Very high	64 Å²	64	65 Å²	65	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.2	-168.4	-50.7	-47.4	0	0	0	113.2	K371 Y372 F394 A400	K371-Y380 CarbonylContact C-O 3.06Å; K371-Y380 VanDerWaalsContact CA-O 3.3Å; K371-Y380 WeakPolarHBondContact CA-O 3.27Å; Y372-Y380 AromaticContact CD1-CD2 3.79Å; Y372-Y380 HydrophobicContact CD1-CD2 3.79Å; Y372-Y380 HydrophobicContact CD1-CE2 4.22Å; Y372-Y380 PolarHBondContact N-O 3.08Å; Y372-Y380 PolarHBondContact O-N 3.29Å; Y380-F394 HydrophobicContact CD2-CE2 4.3Å; Y380-F394 HydrophobicContact CD2-CZ 4.06Å; Y380-A400 HydrophobicContact CD1-CB 4.2Å; Y380-A400 VanDerWaalsContact CE1-CA 3.41Å; Y380-A400 HydrophobicContact CE1-CB 3.58Å; Y380-A400 VanDerWaalsContact CZ-CA 3.5Å; Y380-A400 PolarHBondContact OH-N 2.71Å
381	T	90.5	Very high	91.6	Very high	55 Å²	55	64.9 Å²	64.9	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.9	164.4	-71.3	0	0	0	0	109.6	T369 K371 E378 P383	T369-T381 HydrophobicContact CG2-CG2 4.33Å; K371-T381 PolarHBondContact NZ-OG1 3.36Å; E378-T381 PolarHBondContact OE1-OG1 3.05Å; T381-P383 WeakPolarHBondContact O-CD 3.27Å
382	L	89.8	Confident	91.5	Very high	13 Å²	13	65.6 Å²	65.6	7%	0.068	32%	0.321	C	S	.	.			trans	-127	66.2	-160.9	-65.2	160	0	0	0	112.2	L312 V370 H384 L385 F394 P401	L312-L382 HydrophobicContact CD1-CD1 3.55Å; V370-L382 HydrophobicContact CB-CB 4.32Å; V370-L382 PolarHBondContact O-N 2.99Å; L382-H384 PolarHBondContact O-N 2.64Å; L382-H384 VanDerWaalsContact O-N 3.07Å; L382-L385 HydrophobicContact CB-CB 4.01Å; L382-L385 HydrophobicContact CB-CD2 4.18Å; L382-L385 HydrophobicContact CD1-CD2 3.95Å; L382-L385 PolarHBondContact O-N 2.67Å; L382-F394 HydrophobicContact CD1-CD1 4.28Å; L382-F394 HydrophobicContact CD1-CD2 4.41Å; L382-F394 HydrophobicContact CD1-CE1 3.69Å; L382-F394 HydrophobicContact CD1-CE2 3.82Å; L382-F394 HydrophobicContact CD1-CZ 3.44Å; L382-F394 VanDerWaalsContact CD1-CZ 3.44Å; L382-F394 HydrophobicContact CD2-CD2 4.32Å; L382-F394 HydrophobicContact CD2-CE2 3.86Å; L382-F394 HydrophobicContact CD2-CZ 4.32Å; L382-P401 HydrophobicContact CD2-CB 4.14Å; L382-P401 HydrophobicContact CD2-CG 4.3Å
383	P	74.1	Confident	91.2	Very high	60 Å²	60	71.8 Å²	71.8	39%	0.39	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.9	-166.2	27.7	-36.4	0	0	0	115.4	T381 R386	T381-P383 WeakPolarHBondContact O-CD 3.27Å; P383-R386 PolarHBondContact O-NE 3.4Å; P383-R386 VanDerWaalsContact O-NE 3.09Å; P383-R386 PolarHBondContact O-NH2 3.29Å
384	H	82.4	Confident	91.1	Very high	172 Å²	172	72.8 Å²	72.8	80%	0.796	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.9	-177.3	-56.4	-53.7	0	0	0	113.9	L382 R386	L382-H384 PolarHBondContact O-N 2.64Å; L382-H384 VanDerWaalsContact O-N 3.07Å; H384-R386 PolarHBondContact O-N 3.37Å
385	L	89.6	Confident	91.1	Very high	18 Å²	18	69.8 Å²	69.8	9%	0.094	34%	0.341	C	S	.	.			trans	-82.9	101.7	-177.7	-172.4	59.9	0	0	0	110	L312 M326 L382 K390 I391 F394	L312-L385 HydrophobicContact CD1-CD2 4.26Å; L312-L385 HydrophobicContact CD2-CD2 3.8Å; M326-L385 WeakPolarHBondContact CE-O 3.14Å; L382-L385 HydrophobicContact CB-CB 4.01Å; L382-L385 HydrophobicContact CB-CD2 4.18Å; L382-L385 HydrophobicContact CD1-CD2 3.95Å; L382-L385 PolarHBondContact O-N 2.67Å; L385-K390 HydrophobicContact CD1-CB 3.81Å; L385-K390 WeakPolarHBondContact CD1-O 3.46Å; L385-I391 HydrophobicContact CD1-CG1 4.08Å; L385-I391 HydrophobicContact CG-CG1 3.96Å; L385-F394 HydrophobicContact CD1-CB 4.25Å; L385-F394 HydrophobicContact CD2-CB 4.07Å; L385-F394 HydrophobicContact CD2-CD1 3.87Å; L385-F394 HydrophobicContact CD2-CG 3.85Å
386	R	90	Very high	91.1	Very high	104 Å²	104	67.4 Å²	67.4	39%	0.392	33%	0.332	S	S	.	.			trans	-146.3	8.1	-167.1	-56.3	-171.6	-173.3	-171.5	-2.1	116.3	M326 P383 H384	M326-R386 HydrophobicContact CG-CB 4.49Å; M326-R386 HydrophobicContact SD-CB 4Å; M326-R386 HydrophobicContact SD-CG 3.84Å; P383-R386 PolarHBondContact O-NE 3.4Å; P383-R386 VanDerWaalsContact O-NE 3.09Å; P383-R386 PolarHBondContact O-NH2 3.29Å; H384-R386 PolarHBondContact O-N 3.37Å
387	S	92.9	Very high	91.1	Very high	41 Å²	41	70 Å²	70	29%	0.287	34%	0.338	S	S	.	.	S	Bend	trans	-135.6	138.8	-174.6	55.5	0	0	0	0	110.6	E329 D389 K390 I391	E329-S387 WeakPolarHBondContact OE2-CA 3.27Å; S387-D389 PolarHBondContact O-N 3.49Å; S387-K390 PolarHBondContact O-N 3.11Å; S387-K390 VanDerWaalsContact O-N 3.07Å; S387-I391 PolarHBondContact O-N 3.06Å; S387-I391 VanDerWaalsContact O-N 3.12Å
388	K	94.6	Very high	91	Very high	50 Å²	50	66.4 Å²	66.4	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-40.8	-61.6	-171.3	-176.8	-174.1	-168.4	155.3	0	113.4	E329 D332 A333 K390 I391 I392	E329-K388 PolarHBondContact OE2-N 3.46Å; D332-K388 HydrophobicContact CB-CD 3.76Å; D332-K388 HydrophobicContact CB-CG 4.11Å; D332-K388 WeakPolarHBondContact O-CE 3.16Å; D332-K388 PolarHBondContact O-NZ 3.47Å; D332-K388 IonicContact OD2-NZ 2.68Å; D332-K388 PolarHBondContact OD2-NZ 3.06Å; A333-K388 HydrophobicContact CB-CG 4.32Å; K388-K390 VanDerWaalsContact C-N 3.26Å; K388-K390 PolarHBondContact O-N 3.47Å; K388-I391 WeakPolarHBondContact O-CB 3.46Å; K388-I391 PolarHBondContact O-N 3.19Å; K388-I392 HydrophobicContact CG-CD1 3.87Å; K388-I392 PolarHBondContact O-N 3.21Å
389	D	92.9	Very high	90.5	Very high	124 Å²	124	68.7 Å²	68.7	66%	0.663	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-39.3	-173.2	-50.6	-31.8	0	0	0	112.4	S387 I392 E393	S387-D389 PolarHBondContact O-N 3.49Å; D389-I392 PolarHBondContact O-N 3.05Å; D389-E393 VanDerWaalsContact O-CB 3.28Å; D389-E393 WeakPolarHBondContact O-CB 3.27Å; D389-E393 PolarHBondContact O-N 3.36Å
390	K	93	Very high	89.7	Confident	119 Å²	119	68.2 Å²	68.2	52%	0.517	35%	0.345	S	S	.	.	H	α-helix	trans	-73.9	-32.1	179.7	-65.6	-170.2	175.6	-171.4	0	112.8	L385 S387 K388 I392 F394	L385-K390 HydrophobicContact CD1-CB 3.81Å; L385-K390 WeakPolarHBondContact CD1-O 3.46Å; S387-K390 PolarHBondContact O-N 3.11Å; S387-K390 VanDerWaalsContact O-N 3.07Å; K388-K390 VanDerWaalsContact C-N 3.26Å; K388-K390 PolarHBondContact O-N 3.47Å; K390-I392 VanDerWaalsContact C-N 3.35Å; K390-F394 WeakPolarHBondContact O-CB 3Å; K390-F394 PolarHBondContact O-N 3.05Å
391	I	95.6	Very high	88.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-45.4	174.2	-65.3	157.8	0	0	0	108.8	L312 Y330 A333 L347 L385 S387 K388 F394 M395	L312-I391 HydrophobicContact CD2-CG2 3.9Å; Y330-I391 HydrophobicContact CD2-CD1 3.81Å; Y330-I391 HydrophobicContact CE2-CD1 4.43Å; A333-I391 HydrophobicContact CB-CB 4.06Å; A333-I391 HydrophobicContact CB-CD1 4.36Å; A333-I391 HydrophobicContact CB-CG2 3.81Å; L347-I391 HydrophobicContact CD1-CG2 3.84Å; L347-I391 HydrophobicContact CD2-CG2 3.74Å; L347-I391 HydrophobicContact CG-CG2 4.42Å; L385-I391 HydrophobicContact CD1-CG1 4.08Å; L385-I391 HydrophobicContact CG-CG1 3.96Å; S387-I391 PolarHBondContact O-N 3.06Å; S387-I391 VanDerWaalsContact O-N 3.12Å; K388-I391 WeakPolarHBondContact O-CB 3.46Å; K388-I391 PolarHBondContact O-N 3.19Å; I391-F394 PolarHBondContact O-N 2.99Å; I391-M395 WeakPolarHBondContact O-CB 3.34Å; I391-M395 VanDerWaalsContact O-CG 3.25Å; I391-M395 WeakPolarHBondContact O-CG 3.47Å; I391-M395 PolarHBondContact O-N 3.31Å
392	I	93.4	Very high	87.7	Confident	30 Å²	30	70.6 Å²	70.6	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-64.5	-48.8	176.7	-63.7	164.1	0	0	0	111	A333 V336 K388 D389 K390 F394 M395 H396	A333-I392 HydrophobicContact CB-CG1 4.19Å; V336-I392 HydrophobicContact CB-CD1 4.04Å; V336-I392 HydrophobicContact CG1-CD1 3.98Å; V336-I392 HydrophobicContact CG2-CD1 4.25Å; K388-I392 HydrophobicContact CG-CD1 3.87Å; K388-I392 PolarHBondContact O-N 3.21Å; D389-I392 PolarHBondContact O-N 3.05Å; K390-I392 VanDerWaalsContact C-N 3.35Å; I392-F394 VanDerWaalsContact C-N 3.35Å; I392-F394 PolarHBondContact O-N 3.41Å; I392-M395 PolarHBondContact O-N 3.34Å; I392-H396 PolarHBondContact O-CD2 2.85Å; I392-H396 VanDerWaalsContact O-CD2 3.27Å; I392-H396 PolarHBondContact O-N 3.18Å
393	E	92.4	Very high	86.4	Confident	135 Å²	135	75.4 Å²	75.4	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-54.5	-47.9	175.4	-179.9	-174.4	-164.2	0	0	112	D389 N397	D389-E393 VanDerWaalsContact O-CB 3.28Å; D389-E393 WeakPolarHBondContact O-CB 3.27Å; D389-E393 PolarHBondContact O-N 3.36Å; E393-N397 PolarHBondContact O-N 3.23Å
394	F	93.7	Very high	85.8	Confident	24 Å²	24	78.5 Å²	78.5	11%	0.105	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-43	177.6	172.4	-89.8	0	0	0	112	L312 Y372 Y380 L382 L385 K390 I391 I392 N397 P398	L312-F394 HydrophobicContact CD1-CD1 4.31Å; L312-F394 HydrophobicContact CD1-CE1 3.92Å; Y372-F394 HydrophobicContact CD1-CE1 4.41Å; Y372-F394 HydrophobicContact CD1-CZ 4.07Å; Y372-F394 AromaticContact CD2-CE1 3.77Å; Y372-F394 HydrophobicContact CD2-CE1 3.77Å; Y372-F394 HydrophobicContact CD2-CZ 4.24Å; Y372-F394 HydrophobicContact CE2-CE1 4.45Å; Y372-F394 AromaticContact CG-CE1 3.74Å; Y372-F394 HydrophobicContact CG-CE1 3.74Å; Y372-F394 AromaticContact CG-CZ 3.76Å; Y372-F394 HydrophobicContact CG-CZ 3.76Å; Y380-F394 HydrophobicContact CD2-CE2 4.3Å; Y380-F394 HydrophobicContact CD2-CZ 4.06Å; L382-F394 HydrophobicContact CD1-CD1 4.28Å; L382-F394 HydrophobicContact CD1-CD2 4.41Å; L382-F394 HydrophobicContact CD1-CE1 3.69Å; L382-F394 HydrophobicContact CD1-CE2 3.82Å; L382-F394 HydrophobicContact CD1-CZ 3.44Å; L382-F394 VanDerWaalsContact CD1-CZ 3.44Å; L382-F394 HydrophobicContact CD2-CD2 4.32Å; L382-F394 HydrophobicContact CD2-CE2 3.86Å; L382-F394 HydrophobicContact CD2-CZ 4.32Å; L385-F394 HydrophobicContact CD1-CB 4.25Å; L385-F394 HydrophobicContact CD2-CB 4.07Å; L385-F394 HydrophobicContact CD2-CD1 3.87Å; L385-F394 HydrophobicContact CD2-CG 3.85Å; K390-F394 WeakPolarHBondContact O-CB 3Å; K390-F394 PolarHBondContact O-N 3.05Å; I391-F394 PolarHBondContact O-N 2.99Å; I392-F394 VanDerWaalsContact C-N 3.35Å; I392-F394 PolarHBondContact O-N 3.41Å; F394-N397 CarbonylContact O-C 3.58Å; F394-N397 PolarHBondContact O-N 2.99Å; F394-P398 HydrophobicContact CE1-CB 4.39Å; F394-P398 HydrophobicContact CE2-CB 4.5Å; F394-P398 HydrophobicContact CZ-CB 4.04Å; F394-P398 VanDerWaalsContact O-CA 3.3Å; F394-P398 WeakPolarHBondContact O-CA 3.21Å
395	M	94.1	Very high	84.9	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-179.1	-72.6	-62.1	-71.1	0	0	112.1	L312 L337 P344 Y372 I391 I392 N397 P398	L312-M395 HydrophobicContact CB-CE 4.39Å; L312-M395 HydrophobicContact CB-SD 3.6Å; L312-M395 HydrophobicContact CD2-SD 4.4Å; L312-M395 HydrophobicContact CG-SD 4.47Å; L337-M395 HydrophobicContact CD1-CB 4.07Å; L337-M395 HydrophobicContact CD1-CG 3.83Å; L337-M395 HydrophobicContact CD2-CB 4.17Å; P344-M395 VanDerWaalsContact CB-O 3.3Å; P344-M395 WeakPolarHBondContact CB-O 3.22Å; P344-M395 HydrophobicContact CG-CB 4.04Å; Y372-M395 HydrophobicContact CD2-SD 4.13Å; Y372-M395 HydrophobicContact CE2-CE 4.38Å; Y372-M395 HydrophobicContact CE2-SD 4.1Å; I391-M395 WeakPolarHBondContact O-CB 3.34Å; I391-M395 VanDerWaalsContact O-CG 3.25Å; I391-M395 WeakPolarHBondContact O-CG 3.47Å; I391-M395 PolarHBondContact O-N 3.31Å; I392-M395 PolarHBondContact O-N 3.34Å; M395-N397 VanDerWaalsContact C-N 3.26Å; M395-N397 PolarHBondContact O-N 3.37Å; M395-P398 WeakPolarHBondContact O-CD 3.18Å; M395-P398 WeakPolarHBondContact O-CG 3.28Å
396	H	91.8	Very high	84	Confident	109 Å²	109	81.4 Å²	81.4	51%	0.505	44%	0.435	S	S	.	.	H	α-helix	trans	-69.7	-19.3	175	-77	-68.2	0	0	0	114.3	I392	I392-H396 PolarHBondContact O-CD2 2.85Å; I392-H396 VanDerWaalsContact O-CD2 3.27Å; I392-H396 PolarHBondContact O-N 3.18Å
397	N	90.9	Very high	83.6	Confident	89 Å²	89	78.1 Å²	78.1	48%	0.476	43%	0.428	S	S	.	.	S	Bend	trans	-146.6	74.4	-179.6	176.3	33.5	0	0	0	110.2	E393 F394 M395 Q399	E393-N397 PolarHBondContact O-N 3.23Å; F394-N397 CarbonylContact O-C 3.58Å; F394-N397 PolarHBondContact O-N 2.99Å; M395-N397 VanDerWaalsContact C-N 3.26Å; M395-N397 PolarHBondContact O-N 3.37Å; N397-Q399 PolarHBondContact ND2-NE2 3.38Å; N397-Q399 PolarHBondContact O-N 3.23Å; N397-Q399 WeakPolarHBondContact OD1-CG 3.4Å; N397-Q399 PolarHBondContact OD1-NE2 3.06Å
398	P	89.4	Confident	83.4	Confident	44 Å²	44	77.1 Å²	77.1	29%	0.286	42%	0.418	S	S	.	.			trans	-70.3	93.7	-175.1	-19.8	34.2	0	0	0	111.1	Y372 F394 M395	Y372-P398 HydrophobicContact CD1-CB 4.23Å; Y372-P398 HydrophobicContact CE1-CB 3.64Å; Y372-P398 HydrophobicContact CE1-CG 4.27Å; Y372-P398 HydrophobicContact CE2-CB 4.42Å; Y372-P398 HydrophobicContact CE2-CG 4.38Å; F394-P398 HydrophobicContact CE1-CB 4.39Å; F394-P398 HydrophobicContact CE2-CB 4.5Å; F394-P398 HydrophobicContact CZ-CB 4.04Å; F394-P398 VanDerWaalsContact O-CA 3.3Å; F394-P398 WeakPolarHBondContact O-CA 3.21Å; M395-P398 WeakPolarHBondContact O-CD 3.18Å; M395-P398 WeakPolarHBondContact O-CG 3.28Å
399	Q	84.5	Confident	83	Confident	118 Å²	118	78.4 Å²	78.4	55%	0.551	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-100.6	152.5	176	-61.3	-167.7	2.2	0	0	110.7	N397	N397-Q399 PolarHBondContact ND2-NE2 3.38Å; N397-Q399 PolarHBondContact O-N 3.23Å; N397-Q399 WeakPolarHBondContact OD1-CG 3.4Å; N397-Q399 PolarHBondContact OD1-NE2 3.06Å
400	A	77.1	Confident	82.6	Confident	62 Å²	62	77 Å²	77	51%	0.512	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-53.9	133	169.5	0	0	0	0	0	109.4	Y380	Y380-A400 HydrophobicContact CD1-CB 4.2Å; Y380-A400 VanDerWaalsContact CE1-CA 3.41Å; Y380-A400 HydrophobicContact CE1-CB 3.58Å; Y380-A400 VanDerWaalsContact CZ-CA 3.5Å; Y380-A400 PolarHBondContact OH-N 2.71Å
401	P	72.8	Confident	82.3	Confident	52 Å²	52	76 Å²	76	34%	0.338	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-54.5	139.2	173.6	22.9	-32.1	0	0	0	108.2	L382	L382-P401 HydrophobicContact CD2-CB 4.14Å; L382-P401 HydrophobicContact CD2-CG 4.3Å
402	P	66.6	Low	81.8	Confident	117 Å²	117	82.5 Å²	82.5	76%	0.76	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-52.6	134.1	-178.5	22	-33.2	0	0	0	108.7
403	P	63.3	Low	81.8	Confident	114 Å²	114	83 Å²	83	74%	0.74	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-47.6	136	-179.3	-29.5	35	0	0	0	110	E405	P403-E405 PolarHBondContact O-N 3.32Å
404	P	61.1	Low	81.9	Confident	124 Å²	124	78.4 Å²	78.4	81%	0.805	44%	0.441	S	S	*	.			trans	-45.7	120	-175.5	-29.8	34.8	0	0	0	109.9	Q406	P404-Q406 PolarHBondContact O-N 3.23Å
405	E	63.5	Low	82.1	Confident	125 Å²	125	77.7 Å²	77.7	58%	0.584	44%	0.438	S	S	*	.			trans	-52.9	108.7	-165.9	-172.8	-161.1	161.9	0	0	108.8	P403 S407 R411 K446	P403-E405 PolarHBondContact O-N 3.32Å; E405-S407 PolarHBondContact O-N 2.85Å; E405-S407 VanDerWaalsContact O-N 3.11Å; E405-R411 IonicContact OE1-CZ 2.69Å; E405-R411 IonicContact OE1-NH2 2.67Å; E405-R411 PolarHBondContact OE1-NH2 3.4Å; E405-K446 IonicContact OE1-NZ 3.07Å; E405-K446 PolarHBondContact OE1-NZ 3.13Å; E405-K446 IonicContact OE2-NZ 2.72Å; E405-K446 PolarHBondContact OE2-NZ 3.26Å
406	Q	70.1	Confident	82.2	Confident	127 Å²	127	79.7 Å²	79.7	59%	0.593	45%	0.453	S	S	*	.			trans	-45.9	124.4	-173	-83.9	-174.9	-16.6	0	0	108.7	P404 D410 R411	P404-Q406 PolarHBondContact O-N 3.23Å; Q406-D410 HydrophobicContact CB-CB 4.34Å; Q406-R411 HydrophobicContact CB-CG 4.37Å; Q406-R411 VanDerWaalsContact O-CZ 3.25Å; Q406-R411 PolarHBondContact O-NE 2.95Å; Q406-R411 PolarHBondContact O-NH2 3.28Å
407	S	82.9	Confident	82.4	Confident	35 Å²	35	76.6 Å²	76.6	25%	0.245	44%	0.438	C	S	.	.			trans	-62.9	159.2	-173.8	85.4	0	0	0	0	108.6	E405 E409 D410 R411	E405-S407 PolarHBondContact O-N 2.85Å; E405-S407 VanDerWaalsContact O-N 3.11Å; S407-E409 PolarHBondContact O-N 3.06Å; S407-E409 VanDerWaalsContact O-N 3.11Å; S407-E409 WeakPolarHBondContact OG-CG 3.48Å; S407-E409 PolarHBondContact OG-N 3.49Å; S407-D410 WeakPolarHBondContact CA-OD2 3.38Å; S407-D410 WeakPolarHBondContact CB-OD2 3.26Å; S407-D410 PolarHBondContact N-OD2 3.27Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-OD2 3.07Å; S407-R411 PolarHBondContact O-N 3.04Å
408	W	88.3	Confident	82.7	Confident	20 Å²	20	72.9 Å²	72.9	8%	0.076	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-60.1	-26.1	-179.4	-175.8	27.6	0	0	0	112.2	R411 V415 H417 M436 Y438 V449 F452 T453 A469	W408-R411 PolarHBondContact O-N 3.06Å; W408-V415 HydrophobicContact CH2-CG1 4.32Å; W408-V415 HydrophobicContact CZ2-CB 4.48Å; W408-V415 HydrophobicContact CZ2-CG1 4.18Å; W408-V415 HydrophobicContact CZ2-CG2 3.98Å; W408-H417 AromaticContact CD2-CE1 3.59Å; W408-H417 AromaticContact CE3-CE1 3.75Å; W408-H417 AromaticContact CG-CE1 3.74Å; W408-H417 PolarHBondContact O-NE2 3.41Å; W408-M436 HydrophobicContact CH2-CE 4.4Å; W408-M436 HydrophobicContact CH2-CG 4.42Å; W408-M436 HydrophobicContact CH2-SD 3.49Å; W408-M436 WeakPolarHBondContact CH2-SD 3.48Å; W408-M436 HydrophobicContact CZ3-CE 4.18Å; W408-M436 HydrophobicContact CZ3-CG 4.33Å; W408-M436 HydrophobicContact CZ3-SD 3.7Å; W408-Y438 HydrophobicContact CE3-CD1 4.08Å; W408-Y438 HydrophobicContact CE3-CD2 4.41Å; W408-Y438 AromaticContact CE3-CE1 3.68Å; W408-Y438 HydrophobicContact CE3-CE1 3.68Å; W408-Y438 HydrophobicContact CE3-CE2 4.07Å; W408-Y438 HydrophobicContact CE3-CG 4.43Å; W408-Y438 AromaticContact CE3-CZ 3.69Å; W408-Y438 AromaticContact CZ3-CD1 3.88Å; W408-Y438 HydrophobicContact CZ3-CD1 3.88Å; W408-Y438 AromaticContact CZ3-CE1 3.87Å; W408-Y438 HydrophobicContact CZ3-CE1 3.87Å; W408-Y438 HydrophobicContact CZ3-CG 4.33Å; W408-V449 HydrophobicContact CD2-CB 4.46Å; W408-V449 HydrophobicContact CD2-CG1 4.02Å; W408-V449 HydrophobicContact CD2-CG2 3.71Å; W408-V449 HydrophobicContact CE3-CG2 3.68Å; W408-V449 HydrophobicContact CG-CG1 4.08Å; W408-V449 HydrophobicContact CG-CG2 4.3Å; W408-V449 HydrophobicContact CH2-CG2 4.11Å; W408-V449 HydrophobicContact CZ2-CB 4.41Å; W408-V449 HydrophobicContact CZ2-CG1 4.25Å; W408-V449 HydrophobicContact CZ2-CG2 4.11Å; W408-V449 HydrophobicContact CZ3-CG2 3.89Å; W408-F452 AromaticContact CH2-CD1 3.74Å; W408-F452 HydrophobicContact CH2-CD1 3.74Å; W408-F452 HydrophobicContact CH2-CE1 4.38Å; W408-F452 HydrophobicContact CH2-CG 4.47Å; W408-F452 HydrophobicContact CZ2-CD1 4.06Å; W408-T453 PolarHBondContact NE1-OG1 3.46Å; W408-T453 VanDerWaalsContact NE1-OG1 3.13Å; W408-A469 HydrophobicContact CE3-CB 4.07Å; W408-A469 HydrophobicContact CH2-CB 3.78Å; W408-A469 HydrophobicContact CZ3-CB 3.45Å; W408-A469 VanDerWaalsContact CZ3-CB 3.45Å
409	E	86.1	Confident	82.9	Confident	77 Å²	77	71.4 Å²	71.4	36%	0.36	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-72.4	-27.5	176.3	100.1	-160.4	152.6	0	0	113.4	S407 R411 H417 K474	S407-E409 PolarHBondContact O-N 3.06Å; S407-E409 VanDerWaalsContact O-N 3.11Å; S407-E409 WeakPolarHBondContact OG-CG 3.48Å; S407-E409 PolarHBondContact OG-N 3.49Å; E409-R411 VanDerWaalsContact C-N 3.32Å; E409-H417 HydrophobicContact CB-CB 4Å; E409-H417 WeakPolarHBondContact CB-ND1 3.39Å; E409-H417 PolarHBondContact N-CE1 3.41Å; E409-K474 IonicContact OE1-NZ 2.63Å; E409-K474 PolarHBondContact OE1-NZ 2.82Å; E409-K474 IonicContact OE2-NZ 2.73Å; E409-K474 PolarHBondContact OE2-NZ 2.96Å
410	D	84.7	Confident	83.2	Confident	93 Å²	93	67.7 Å²	67.7	50%	0.497	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-79.4	-16.8	179.2	-56.8	-64.3	0	0	0	112.3	Q406 S407	Q406-D410 HydrophobicContact CB-CB 4.34Å; S407-D410 WeakPolarHBondContact CA-OD2 3.38Å; S407-D410 WeakPolarHBondContact CB-OD2 3.26Å; S407-D410 PolarHBondContact N-OD2 3.27Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-OD2 3.07Å
411	R	86.4	Confident	83.9	Confident	99 Å²	99	72.6 Å²	72.6	37%	0.374	41%	0.41	S	S	.	.	S	Bend	trans	-86.2	122.6	-176.5	-62.3	179.7	-157.6	-169.6	7.8	109.9	E405 Q406 S407 W408 E409 S413	E405-R411 IonicContact OE1-CZ 2.69Å; E405-R411 IonicContact OE1-NH2 2.67Å; E405-R411 PolarHBondContact OE1-NH2 3.4Å; Q406-R411 HydrophobicContact CB-CG 4.37Å; Q406-R411 VanDerWaalsContact O-CZ 3.25Å; Q406-R411 PolarHBondContact O-NE 2.95Å; Q406-R411 PolarHBondContact O-NH2 3.28Å; S407-R411 PolarHBondContact O-N 3.04Å; W408-R411 PolarHBondContact O-N 3.06Å; E409-R411 VanDerWaalsContact C-N 3.32Å; R411-S413 PolarHBondContact O-N 3.29Å; R411-S413 VanDerWaalsContact O-N 3.1Å
412	P	85.7	Confident	84.9	Confident	136 Å²	136	73.1 Å²	73.1	88%	0.883	41%	0.41	S	S	*	.			trans	-54.5	118.2	178.9	-27.5	35.4	0	0	0	112.3
413	S	92.8	Very high	86.3	Confident	42 Å²	42	67.7 Å²	67.7	29%	0.294	38%	0.375	S	S	.	.			trans	-155.4	163.5	179.2	80	0	0	0	0	112.1	R411 V415	R411-S413 PolarHBondContact O-N 3.29Å; R411-S413 VanDerWaalsContact O-N 3.1Å; S413-V415 PolarHBondContact O-N 2.94Å; S413-V415 WeakPolarHBondContact OG-CB 3.44Å; S413-V415 PolarHBondContact OG-N 2.96Å
414	S	95.3	Very high	87.7	Confident	37 Å²	37	67.4 Å²	67.4	26%	0.259	36%	0.359	S	S	.	.	S	Bend	trans	-79.4	11.2	171.4	-71	0	0	0	0	114	E457 K460	S414-E457 WeakPolarHBondContact CB-OE2 3.38Å; S414-E457 PolarHBondContact OG-OE2 2.95Å; S414-K460 WeakPolarHBondContact OG-CB 3.28Å; S414-K460 WeakPolarHBondContact OG-CD 3.5Å
415	V	97.3	Very high	89.3	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	34%	0.341	C	S	.	.			trans	-85.4	126.3	175	-177.7	0	0	0	0	109.4	W408 S413 H417 F452 A456 Y467 A469	W408-V415 HydrophobicContact CH2-CG1 4.32Å; W408-V415 HydrophobicContact CZ2-CB 4.48Å; W408-V415 HydrophobicContact CZ2-CG1 4.18Å; W408-V415 HydrophobicContact CZ2-CG2 3.98Å; S413-V415 PolarHBondContact O-N 2.94Å; S413-V415 WeakPolarHBondContact OG-CB 3.44Å; S413-V415 PolarHBondContact OG-N 2.96Å; V415-H417 PolarHBondContact O-CD2 2.63Å; V415-H417 PolarHBondContact O-N 3.14Å; V415-F452 HydrophobicContact CG1-CD1 4.43Å; V415-F452 HydrophobicContact CG1-CE1 4.22Å; V415-F452 HydrophobicContact CG2-CD1 4.24Å; V415-A456 HydrophobicContact CG2-CB 3.61Å; V415-Y467 WeakPolarHBondContact CA-O 3.43Å; V415-A469 HydrophobicContact CG1-CB 3.66Å
416	S	96.4	Very high	90.8	Very high	44 Å²	44	61.1 Å²	61.1	31%	0.308	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	100.5	173.5	-166.7	0	0	0	0	109.4	Y467 A468 A469	S416-Y467 PolarHBondContact N-O 2.93Å; S416-A468 CarbonylContact O-C 3.59Å; S416-A468 WeakPolarHBondContact O-CA 3.44Å; S416-A468 VanDerWaalsContact O-CB 3.27Å; S416-A468 WeakPolarHBondContact O-CB 3.29Å; S416-A469 PolarHBondContact O-N 2.94Å
417	H	96.6	Very high	92	Very high	44 Å²	44	55.1 Å²	55.1	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.8	169	-70.6	-100.3	0	0	0	109	W408 E409 V415 A469	W408-H417 AromaticContact CD2-CE1 3.59Å; W408-H417 AromaticContact CE3-CE1 3.75Å; W408-H417 AromaticContact CG-CE1 3.74Å; W408-H417 PolarHBondContact O-NE2 3.41Å; E409-H417 HydrophobicContact CB-CB 4Å; E409-H417 WeakPolarHBondContact CB-ND1 3.39Å; E409-H417 PolarHBondContact N-CE1 3.41Å; V415-H417 PolarHBondContact O-CD2 2.63Å; V415-H417 PolarHBondContact O-N 3.14Å; H417-A469 WeakPolarHBondContact CA-O 3.28Å
418	L	96.5	Very high	92.6	Very high	11 Å²	11	58.6 Å²	58.6	6%	0.058	31%	0.306	C	S	.	.			trans	-128.4	146.4	-173.1	-61.8	176.8	0	0	0	111.1	D422 F423 A426 L427 A468 A469 V470	L418-D422 WeakPolarHBondContact CA-OD1 3.37Å; L418-D422 WeakPolarHBondContact CD2-OD2 3.34Å; L418-F423 HydrophobicContact CB-CB 4.48Å; L418-F423 HydrophobicContact CB-CD2 4.16Å; L418-F423 HydrophobicContact CD1-CD2 3.86Å; L418-F423 HydrophobicContact CD1-CE2 4.49Å; L418-A426 HydrophobicContact CD1-CB 4.03Å; L418-A426 HydrophobicContact CD2-CB 3.48Å; L418-A426 VanDerWaalsContact CD2-CB 3.48Å; L418-A426 HydrophobicContact CG-CB 4.44Å; L418-L427 HydrophobicContact CD1-CD2 3.87Å; L418-L427 HydrophobicContact CD1-CG 4.36Å; L418-A468 HydrophobicContact CD1-CB 3.71Å; L418-A468 HydrophobicContact CG-CB 4.26Å; L418-A469 PolarHBondContact N-O 3.45Å; L418-V470 HydrophobicContact CB-CG2 4.16Å
419	G	93.3	Very high	92.9	Very high	12 Å²	12	65.1 Å²	65.1	12%	0.124	34%	0.335	C	S	.	.			trans	-116.3	-178.9	177.1	0	0	0	0	0	112.9	E421 D422 F423 N477	G419-E421 PolarHBondContact O-N 3.07Å; G419-D422 PolarHBondContact N-OD1 3.31Å; G419-D422 PolarHBondContact O-N 3.06Å; G419-F423 WeakPolarHBondContact O-CB 3.36Å; G419-F423 PolarHBondContact O-N 3.25Å; G419-F423 VanDerWaalsContact O-N 3.09Å; G419-N477 WeakPolarHBondContact CA-OD1 3.34Å
420	S	90	Very high	93.4	Very high	41 Å²	41	63.8 Å²	63.8	29%	0.287	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.6	-177.1	-62.2	0	0	0	0	113.1	L476 N477	S420-L476 VanDerWaalsContact OG-C 3.24Å; S420-L476 PolarHBondContact OG-O 2.73Å; S420-N477 PolarHBondContact N-OD1 3.33Å; S420-N477 WeakPolarHBondContact OG-CA 3.24Å; S420-N477 PolarHBondContact OG-N 3.5Å; S420-N477 PolarHBondContact OG-OD1 3.29Å
421	E	91.7	Very high	94	Very high	164 Å²	164	61.4 Å²	61.4	77%	0.766	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-35.1	180	55.4	-91.2	-140.3	0	0	114.2	G419	G419-E421 PolarHBondContact O-N 3.07Å
422	D	94.3	Very high	94.5	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.342	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-22.3	-169.8	82.1	-30.2	0	0	0	114.3	L418 G419 R424 E425 A426	L418-D422 WeakPolarHBondContact CA-OD1 3.37Å; L418-D422 WeakPolarHBondContact CD2-OD2 3.34Å; G419-D422 PolarHBondContact N-OD1 3.31Å; G419-D422 PolarHBondContact O-N 3.06Å; D422-R424 VanDerWaalsContact C-N 3.34Å; D422-R424 PolarHBondContact O-N 3.14Å; D422-R424 VanDerWaalsContact O-N 3.15Å; D422-E425 PolarHBondContact O-N 2.82Å; D422-A426 PolarHBondContact O-N 3.42Å
423	F	95.9	Very high	95.1	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-44.2	-53.5	-175.3	179.7	-101	0	0	0	113.4	L418 G419 E425 A426 L427 V435 F437 V470 L480 E484 Y495	L418-F423 HydrophobicContact CB-CB 4.48Å; L418-F423 HydrophobicContact CB-CD2 4.16Å; L418-F423 HydrophobicContact CD1-CD2 3.86Å; L418-F423 HydrophobicContact CD1-CE2 4.49Å; G419-F423 WeakPolarHBondContact O-CB 3.36Å; G419-F423 PolarHBondContact O-N 3.25Å; G419-F423 VanDerWaalsContact O-N 3.09Å; F423-E425 VanDerWaalsContact C-N 3.34Å; F423-E425 PolarHBondContact O-N 2.82Å; F423-A426 PolarHBondContact O-N 3.15Å; F423-L427 HydrophobicContact CD1-CD1 4.41Å; F423-L427 HydrophobicContact CD2-CD1 4.19Å; F423-L427 HydrophobicContact CD2-CG 4.46Å; F423-L427 HydrophobicContact CE1-CD1 3.88Å; F423-L427 HydrophobicContact CE2-CD1 3.62Å; F423-L427 HydrophobicContact CE2-CG 4.33Å; F423-L427 HydrophobicContact CZ-CD1 3.44Å; F423-L427 VanDerWaalsContact CZ-CD1 3.44Å; F423-L427 HydrophobicContact CZ-CG 4.49Å; F423-L427 VanDerWaalsContact O-CG 3.32Å; F423-L427 WeakPolarHBondContact O-CG 3.12Å; F423-L427 PolarHBondContact O-N 3.26Å; F423-L427 VanDerWaalsContact O-N 3.08Å; F423-V435 HydrophobicContact CE2-CG1 3.96Å; F423-V435 HydrophobicContact CE2-CG2 4.03Å; F423-V435 HydrophobicContact CZ-CG2 4.43Å; F423-F437 HydrophobicContact CE2-CE1 4.28Å; F423-F437 HydrophobicContact CE2-CZ 4.02Å; F423-F437 HydrophobicContact CZ-CE1 4.37Å; F423-F437 AromaticContact CZ-CZ 3.8Å; F423-F437 HydrophobicContact CZ-CZ 3.8Å; F423-V470 HydrophobicContact CD2-CG2 3.88Å; F423-V470 HydrophobicContact CE2-CG2 3.98Å; F423-L480 HydrophobicContact CB-CD2 3.9Å; F423-L480 HydrophobicContact CD1-CD1 3.72Å; F423-L480 HydrophobicContact CD1-CD2 4.28Å; F423-L480 HydrophobicContact CD2-CD2 4.11Å; F423-L480 HydrophobicContact CE1-CD1 4.08Å; F423-L480 HydrophobicContact CG-CD1 4.16Å; F423-L480 HydrophobicContact CG-CD2 3.86Å; F423-E484 HydrophobicContact CE1-CG 3.94Å; F423-E484 HydrophobicContact CZ-CG 4.2Å; F423-Y495 HydrophobicContact CZ-CE1 4.24Å; F423-Y495 HydrophobicContact CZ-CE2 4.23Å; F423-Y495 AromaticContact CZ-CZ 3.85Å
424	R	93.6	Very high	95.4	Very high	108 Å²	108	48.7 Å²	48.7	41%	0.408	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-30.3	-176.3	-60.3	-164.3	-174.5	-66.1	-4.2	112.9	D422 K428 E484	D422-R424 VanDerWaalsContact C-N 3.34Å; D422-R424 PolarHBondContact O-N 3.14Å; D422-R424 VanDerWaalsContact O-N 3.15Å; R424-K428 WeakPolarHBondContact O-CD 3.48Å; R424-K428 WeakPolarHBondContact O-CG 3.41Å; R424-K428 PolarHBondContact O-N 3.19Å; R424-E484 IonicContact CZ-OE1 2.71Å; R424-E484 IonicContact NH1-OE1 3.17Å; R424-E484 PolarHBondContact NH1-OE1 3.02Å; R424-E484 IonicContact NH2-OE1 3.39Å; R424-E484 PolarHBondContact NH2-OE1 3.37Å
425	E	94.4	Very high	95.5	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-86.2	-29.7	178.3	-64.6	-49.4	133.2	0	0	113.6	D422 F423 K428 K429	D422-E425 PolarHBondContact O-N 2.82Å; F423-E425 VanDerWaalsContact C-N 3.34Å; F423-E425 PolarHBondContact O-N 2.82Å; E425-K428 IonicContact OE1-NZ 2.74Å; E425-K428 PolarHBondContact OE1-NZ 3.04Å; E425-K428 WeakPolarHBondContact OE2-CD 3.18Å; E425-K428 IonicContact OE2-NZ 3.18Å; E425-K429 WeakPolarHBondContact O-CD 3.48Å; E425-K429 VanDerWaalsContact O-CE 3.27Å; E425-K429 WeakPolarHBondContact O-CE 3.38Å; E425-K429 WeakPolarHBondContact O-CG 3.49Å
426	A	94.1	Very high	95.6	Very high	24 Å²	24	46.4 Å²	46.4	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-50.6	171.1	0	0	0	0	0	110.7	L418 D422 F423 K428 K429	L418-A426 HydrophobicContact CD1-CB 4.03Å; L418-A426 HydrophobicContact CD2-CB 3.48Å; L418-A426 VanDerWaalsContact CD2-CB 3.48Å; L418-A426 HydrophobicContact CG-CB 4.44Å; D422-A426 PolarHBondContact O-N 3.42Å; F423-A426 PolarHBondContact O-N 3.15Å; A426-K428 PolarHBondContact O-N 2.96Å; A426-K429 PolarHBondContact O-N 2.94Å
427	L	96.7	Very high	95.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-70.2	-30.3	-175.8	-60.7	-164.8	0	0	0	113.6	L418 F423 K429 K430 A433 V435 V466 Y495 Y497 G498	L418-L427 HydrophobicContact CD1-CD2 3.87Å; L418-L427 HydrophobicContact CD1-CG 4.36Å; F423-L427 HydrophobicContact CD1-CD1 4.41Å; F423-L427 HydrophobicContact CD2-CD1 4.19Å; F423-L427 HydrophobicContact CD2-CG 4.46Å; F423-L427 HydrophobicContact CE1-CD1 3.88Å; F423-L427 HydrophobicContact CE2-CD1 3.62Å; F423-L427 HydrophobicContact CE2-CG 4.33Å; F423-L427 HydrophobicContact CZ-CD1 3.44Å; F423-L427 VanDerWaalsContact CZ-CD1 3.44Å; F423-L427 HydrophobicContact CZ-CG 4.49Å; F423-L427 VanDerWaalsContact O-CG 3.32Å; F423-L427 WeakPolarHBondContact O-CG 3.12Å; F423-L427 PolarHBondContact O-N 3.26Å; F423-L427 VanDerWaalsContact O-N 3.08Å; L427-K429 PolarHBondContact O-N 3.49Å; L427-K430 PolarHBondContact O-N 3.01Å; L427-K430 VanDerWaalsContact O-N 3.13Å; L427-A433 HydrophobicContact CD2-CB 3.57Å; L427-V435 HydrophobicContact CD1-CG2 3.91Å; L427-V435 HydrophobicContact CD2-CG2 4.26Å; L427-V466 HydrophobicContact CD2-CG1 4.31Å; L427-Y495 HydrophobicContact CD1-CD1 4.01Å; L427-Y495 HydrophobicContact CD1-CD2 3.81Å; L427-Y495 HydrophobicContact CD1-CE1 4.4Å; L427-Y495 HydrophobicContact CD1-CE2 4.17Å; L427-Y495 HydrophobicContact CD1-CG 3.74Å; L427-Y497 CarbonylContact O-C 3.49Å; L427-G498 PolarHBondContact O-N 3.49Å
428	K	95.5	Very high	95.7	Very high	108 Å²	108	42.6 Å²	42.6	47%	0.47	20%	0.203	S	C	.	.	H	α-helix	trans	-56.1	-32.1	173.2	-84.3	169.2	-172.8	177.9	0	113.3	R424 E425 A426 K430	R424-K428 WeakPolarHBondContact O-CD 3.48Å; R424-K428 WeakPolarHBondContact O-CG 3.41Å; R424-K428 PolarHBondContact O-N 3.19Å; E425-K428 IonicContact OE1-NZ 2.74Å; E425-K428 PolarHBondContact OE1-NZ 3.04Å; E425-K428 WeakPolarHBondContact OE2-CD 3.18Å; E425-K428 IonicContact OE2-NZ 3.18Å; A426-K428 PolarHBondContact O-N 2.96Å; K428-K430 VanDerWaalsContact C-N 3.28Å; K428-K430 PolarHBondContact O-N 3Å
429	K	94.7	Very high	95.5	Very high	157 Å²	157	42 Å²	42	68%	0.683	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.4	-177.3	-62.7	163.6	-170.2	167.5	0	112.9	E425 A426 L427	E425-K429 WeakPolarHBondContact O-CD 3.48Å; E425-K429 VanDerWaalsContact O-CE 3.27Å; E425-K429 WeakPolarHBondContact O-CE 3.38Å; E425-K429 WeakPolarHBondContact O-CG 3.49Å; A426-K429 PolarHBondContact O-N 2.94Å; L427-K429 PolarHBondContact O-N 3.49Å
430	K	96.2	Very high	95.2	Very high	49 Å²	49	44 Å²	44	21%	0.213	21%	0.21	C	C	.	.			trans	-117.4	128.6	-170.2	-64.2	-67.9	-167.4	163.4	0	111.1	L427 K428 R463 K464 I465 V466 Y497	L427-K430 PolarHBondContact O-N 3.01Å; L427-K430 VanDerWaalsContact O-N 3.13Å; K428-K430 VanDerWaalsContact C-N 3.28Å; K428-K430 PolarHBondContact O-N 3Å; K430-R463 VanDerWaalsContact CD-O 3.29Å; K430-R463 WeakPolarHBondContact CD-O 3.46Å; K430-R463 PolarHBondContact NZ-O 3.04Å; K430-K464 CarbonylContact C-O 3.52Å; K430-I465 WeakPolarHBondContact CD-O 3.36Å; K430-I465 WeakPolarHBondContact CE-O 3.3Å; K430-I465 PolarHBondContact NZ-O 2.87Å; K430-V466 HydrophobicContact CB-CG1 3.97Å; K430-V466 HydrophobicContact CD-CB 4.01Å; K430-V466 HydrophobicContact CD-CG1 4.31Å; K430-V466 HydrophobicContact CG-CB 3.93Å; K430-V466 HydrophobicContact CG-CG1 3.7Å; K430-Y497 VanDerWaalsContact O-CA 3.25Å; K430-Y497 WeakPolarHBondContact O-CA 3.33Å; K430-Y497 PolarHBondContact O-N 3.22Å
431	K	96.3	Very high	94.8	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.183	23%	0.228	C	C	.	.	S	Bend	trans	-70.8	-36.3	178.2	-172.6	168.6	-174.4	-167.3	0	111.6	K464 N496 Y497 D524	K431-K464 WeakPolarHBondContact CA-O 3.48Å; K431-K464 HydrophobicContact CB-CB 3.99Å; K431-K464 PolarHBondContact N-O 3.4Å; K431-N496 VanDerWaalsContact O-CA 3.27Å; K431-N496 WeakPolarHBondContact O-CA 3.46Å; K431-N496 PolarHBondContact O-ND2 3.18Å; K431-Y497 HydrophobicContact CB-CE1 3.9Å; K431-Y497 HydrophobicContact CB-CE2 4.05Å; K431-Y497 HydrophobicContact CD-CE2 4.1Å; K431-Y497 WeakPolarHBondContact CD-OH 3.41Å; K431-Y497 HydrophobicContact CG-CD2 4.39Å; K431-Y497 HydrophobicContact CG-CE1 4.39Å; K431-Y497 HydrophobicContact CG-CE2 3.61Å; K431-D524 WeakPolarHBondContact CD-OD2 3.43Å; K431-D524 WeakPolarHBondContact CE-OD1 3.22Å; K431-D524 WeakPolarHBondContact CE-OD2 3.5Å; K431-D524 IonicContact NZ-OD1 3.94Å; K431-D524 PolarHBondContact NZ-OD1 3.28Å; K431-D524 IonicContact NZ-OD2 2.65Å; K431-D524 PolarHBondContact NZ-OD2 3.01Å
432	H	97.8	Very high	94.6	Very high	10 Å²	10	43 Å²	43	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.6	169.3	-62.1	-53.5	0	0	0	109.3	K464 I465 V466 H494 Y495 M517 D524	H432-K464 PolarHBondContact N-O 2.84Å; H432-I465 HydrophobicContact CB-CG1 4.48Å; H432-I465 CarbonylContact O-C 3.59Å; H432-I465 VanDerWaalsContact O-CA 3.27Å; H432-I465 WeakPolarHBondContact O-CA 3.35Å; H432-V466 PolarHBondContact O-N 2.9Å; H432-H494 AromaticContact CG-NE2 3.66Å; H432-H494 AromaticContact ND1-CE1 3.44Å; H432-H494 PolarHBondContact ND1-CE1 3.32Å; H432-H494 AromaticContact ND1-NE2 3.17Å; H432-H494 PolarHBondContact ND1-NE2 2.75Å; H432-H494 VanDerWaalsContact ND1-NE2 3.17Å; H432-Y495 WeakPolarHBondContact CA-O 3.2Å; H432-M517 HydrophobicContact CB-SD 3.79Å; H432-D524 IonicContact NE2-OD1 2.7Å; H432-D524 IonicContact NE2-OD2 2.69Å; H432-D524 PolarHBondContact NE2-OD2 3.37Å
433	A	98.1	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.5	168.7	0	0	0	0	0	108.6	L427 V466 H494 Y495	L427-A433 HydrophobicContact CD2-CB 3.57Å; A433-V466 WeakPolarHBondContact CA-O 3.47Å; A433-V466 HydrophobicContact CB-CG1 3.4Å; A433-H494 CarbonylContact O-C 3.42Å; A433-H494 WeakPolarHBondContact O-CA 3.3Å; A433-H494 PolarHBondContact O-CD2 3.23Å; A433-H494 VanDerWaalsContact O-CD2 3.29Å; A433-Y495 PolarHBondContact N-O 3.41Å; A433-Y495 PolarHBondContact O-N 2.92Å
434	L	98.3	Very high	94	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	162.5	-172.7	63.5	0	0	0	107.2	F452 V466 Y467 A468 F492 Y504 F513 F516 M517	L434-F452 HydrophobicContact CD2-CE2 3.81Å; L434-F452 HydrophobicContact CG-CE2 3.93Å; L434-F452 HydrophobicContact CG-CZ 4.35Å; L434-V466 PolarHBondContact N-O 2.84Å; L434-V466 VanDerWaalsContact N-O 3.08Å; L434-Y467 HydrophobicContact CB-CD1 4.4Å; L434-Y467 HydrophobicContact CB-CE1 4.44Å; L434-Y467 HydrophobicContact CD2-CD1 4.33Å; L434-Y467 HydrophobicContact CD2-CE1 3.88Å; L434-Y467 WeakPolarHBondContact O-CA 3.33Å; L434-A468 PolarHBondContact O-N 3.04Å; L434-F492 HydrophobicContact CD1-CB 4.35Å; L434-Y504 HydrophobicContact CD1-CG 4.25Å; L434-F513 HydrophobicContact CD2-CD1 3.87Å; L434-F513 HydrophobicContact CD2-CE1 4.49Å; L434-F516 HydrophobicContact CD1-CD1 4.47Å; L434-F516 HydrophobicContact CD1-CE1 4.12Å; L434-F516 HydrophobicContact CD2-CD1 4.46Å; L434-M517 HydrophobicContact CB-CE 3.81Å
435	V	98.6	Very high	94	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.1	-178.6	-177.8	0	0	0	0	109.5	F423 L427 F437 A468 V470 F492 N493 Y495	F423-V435 HydrophobicContact CE2-CG1 3.96Å; F423-V435 HydrophobicContact CE2-CG2 4.03Å; F423-V435 HydrophobicContact CZ-CG2 4.43Å; L427-V435 HydrophobicContact CD1-CG2 3.91Å; L427-V435 HydrophobicContact CD2-CG2 4.26Å; V435-F437 HydrophobicContact CB-CE2 4.13Å; V435-F437 HydrophobicContact CB-CZ 4.47Å; V435-F437 HydrophobicContact CG1-CD1 4.34Å; V435-F437 HydrophobicContact CG1-CD2 4.02Å; V435-F437 HydrophobicContact CG1-CE1 4.06Å; V435-F437 HydrophobicContact CG1-CE2 3.71Å; V435-F437 HydrophobicContact CG1-CG 4.34Å; V435-F437 HydrophobicContact CG1-CZ 3.74Å; V435-A468 CarbonylContact C-O 3.58Å; V435-A468 VanDerWaalsContact CA-O 3.32Å; V435-A468 WeakPolarHBondContact CA-O 3.28Å; V435-A468 HydrophobicContact CG2-CB 4.28Å; V435-V470 HydrophobicContact CG1-CG2 4.03Å; V435-F492 CarbonylContact O-C 3.59Å; V435-F492 VanDerWaalsContact O-CA 3.27Å; V435-F492 WeakPolarHBondContact O-CA 3.09Å; V435-N493 PolarHBondContact N-O 2.82Å; V435-N493 PolarHBondContact O-N 3.2Å; V435-Y495 HydrophobicContact CB-CD2 4.37Å; V435-Y495 HydrophobicContact CB-CE2 3.84Å; V435-Y495 HydrophobicContact CG2-CD2 3.58Å; V435-Y495 HydrophobicContact CG2-CE2 3.41Å; V435-Y495 VanDerWaalsContact CG2-CE2 3.41Å
436	M	98.3	Very high	93.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110	168.8	-179.7	169.7	173	0	0	110.1	W408 C445 A448 V449 F452 A468 A469 V470 P490 F492	W408-M436 HydrophobicContact CH2-CE 4.4Å; W408-M436 HydrophobicContact CH2-CG 4.42Å; W408-M436 HydrophobicContact CH2-SD 3.49Å; W408-M436 WeakPolarHBondContact CH2-SD 3.48Å; W408-M436 HydrophobicContact CZ3-CE 4.18Å; W408-M436 HydrophobicContact CZ3-CG 4.33Å; W408-M436 HydrophobicContact CZ3-SD 3.7Å; M436-C445 HydrophobicContact CE-CB 4.05Å; M436-A448 HydrophobicContact CE-CB 4.06Å; M436-V449 HydrophobicContact CE-CG2 4.06Å; M436-F452 HydrophobicContact CB-CD1 4.23Å; M436-F452 HydrophobicContact CB-CD2 4.43Å; M436-F452 HydrophobicContact CB-CE1 3.8Å; M436-F452 HydrophobicContact CB-CE2 4.02Å; M436-F452 HydrophobicContact CB-CZ 3.67Å; M436-F452 HydrophobicContact SD-CB 4.21Å; M436-F452 HydrophobicContact SD-CD1 4.23Å; M436-F452 HydrophobicContact SD-CD2 4.43Å; M436-F452 HydrophobicContact SD-CG 4.06Å; M436-A468 PolarHBondContact N-O 3.31Å; M436-A469 WeakPolarHBondContact O-CA 3.43Å; M436-V470 PolarHBondContact O-N 3.27Å; M436-P490 HydrophobicContact CE-CB 3.93Å; M436-P490 HydrophobicContact CE-CG 4.47Å; M436-P490 HydrophobicContact CG-CB 4.32Å; M436-F492 HydrophobicContact CB-CD1 3.84Å; M436-F492 HydrophobicContact CB-CE1 3.61Å; M436-F492 HydrophobicContact CE-CZ 4.35Å; M436-F492 HydrophobicContact CG-CD1 4.06Å; M436-F492 HydrophobicContact CG-CE1 3.44Å; M436-F492 VanDerWaalsContact CG-CE1 3.44Å; M436-F492 HydrophobicContact CG-CZ 4.02Å; M436-F492 HydrophobicContact SD-CE1 3.58Å; M436-F492 VanDerWaalsContact SD-CE1 3.58Å; M436-F492 HydrophobicContact SD-CZ 3.93Å
437	F	98.2	Very high	93.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.1	169.8	-65.9	-78.7	0	0	0	109.3	F423 V435 V470 C481 E484 V486 P490 T491 N493 Y495	F423-F437 HydrophobicContact CE2-CE1 4.28Å; F423-F437 HydrophobicContact CE2-CZ 4.02Å; F423-F437 HydrophobicContact CZ-CE1 4.37Å; F423-F437 AromaticContact CZ-CZ 3.8Å; F423-F437 HydrophobicContact CZ-CZ 3.8Å; V435-F437 HydrophobicContact CB-CE2 4.13Å; V435-F437 HydrophobicContact CB-CZ 4.47Å; V435-F437 HydrophobicContact CG1-CD1 4.34Å; V435-F437 HydrophobicContact CG1-CD2 4.02Å; V435-F437 HydrophobicContact CG1-CE1 4.06Å; V435-F437 HydrophobicContact CG1-CE2 3.71Å; V435-F437 HydrophobicContact CG1-CG 4.34Å; V435-F437 HydrophobicContact CG1-CZ 3.74Å; F437-V470 HydrophobicContact CD1-CB 3.66Å; F437-V470 HydrophobicContact CD1-CG1 4.01Å; F437-V470 HydrophobicContact CD1-CG2 4.14Å; F437-V470 HydrophobicContact CE1-CB 3.91Å; F437-V470 HydrophobicContact CE1-CG1 4.16Å; F437-V470 HydrophobicContact CE1-CG2 3.9Å; F437-C481 HydrophobicContact CD1-CB 4.43Å; F437-C481 VanDerWaalsContact CD1-SG 3.54Å; F437-E484 HydrophobicContact CE1-CB 4.23Å; F437-E484 HydrophobicContact CE1-CG 4.42Å; F437-E484 HydrophobicContact CE2-CB 4.16Å; F437-E484 HydrophobicContact CZ-CB 3.62Å; F437-E484 HydrophobicContact CZ-CG 3.93Å; F437-V486 HydrophobicContact CB-CB 4.43Å; F437-V486 HydrophobicContact CB-CG1 3.98Å; F437-V486 HydrophobicContact CB-CG2 3.55Å; F437-V486 HydrophobicContact CD1-CG2 3.88Å; F437-V486 HydrophobicContact CD2-CG2 3.61Å; F437-V486 HydrophobicContact CE1-CG2 4.44Å; F437-V486 HydrophobicContact CE2-CG2 4.19Å; F437-V486 HydrophobicContact CG-CG2 3.41Å; F437-V486 VanDerWaalsContact CG-CG2 3.41Å; F437-P490 WeakPolarHBondContact O-CA 3.16Å; F437-T491 PolarHBondContact N-O 2.82Å; F437-T491 PolarHBondContact O-N 2.94Å; F437-T491 VanDerWaalsContact O-N 3.09Å; F437-N493 HydrophobicContact CE2-CB 3.97Å; F437-Y495 HydrophobicContact CE2-CE2 4.48Å; F437-Y495 WeakPolarHBondContact CE2-OH 3.22Å; F437-Y495 WeakPolarHBondContact CZ-OH 3.45Å
438	Y	96.9	Very high	93.9	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	171.1	-167	81	-82.8	0	0	0	113.6	W408 P440 C445 A469 V470 D471 C472	W408-Y438 HydrophobicContact CE3-CD1 4.08Å; W408-Y438 HydrophobicContact CE3-CD2 4.41Å; W408-Y438 AromaticContact CE3-CE1 3.68Å; W408-Y438 HydrophobicContact CE3-CE1 3.68Å; W408-Y438 HydrophobicContact CE3-CE2 4.07Å; W408-Y438 HydrophobicContact CE3-CG 4.43Å; W408-Y438 AromaticContact CE3-CZ 3.69Å; W408-Y438 AromaticContact CZ3-CD1 3.88Å; W408-Y438 HydrophobicContact CZ3-CD1 3.88Å; W408-Y438 AromaticContact CZ3-CE1 3.87Å; W408-Y438 HydrophobicContact CZ3-CE1 3.87Å; W408-Y438 HydrophobicContact CZ3-CG 4.33Å; Y438-P440 HydrophobicContact CE2-CG 4.06Å; Y438-C445 VanDerWaalsContact CB-SG 3.59Å; Y438-A469 HydrophobicContact CD1-CB 4.28Å; Y438-A469 HydrophobicContact CE1-CB 3.96Å; Y438-V470 WeakPolarHBondContact CD1-O 3.36Å; Y438-V470 PolarHBondContact N-O 3.22Å; Y438-D471 HydrophobicContact CE1-CB 3.98Å; Y438-D471 HydrophobicContact CE2-CB 4.34Å; Y438-C472 WeakPolarHBondContact O-CB 3.38Å; Y438-C472 PolarHBondContact O-N 3.36Å
439	A	92.4	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.			trans	-131.2	134	167	0	0	0	0	0	109	W441 C442 T473 Y489	A439-W441 HydrophobicContact CB-CD2 4.14Å; A439-W441 HydrophobicContact CB-CH2 4.31Å; A439-W441 HydrophobicContact CB-CZ2 3.75Å; A439-W441 PolarHBondContact O-N 3.21Å; A439-W441 VanDerWaalsContact O-N 3.15Å; A439-C442 HydrophobicContact CB-CB 4.32Å; A439-C442 WeakPolarHBondContact O-CB 3.38Å; A439-C442 PolarHBondContact O-N 3.07Å; A439-T473 HydrophobicContact CB-CG2 3.6Å; A439-Y489 HydrophobicContact CB-CD2 3.67Å; A439-Y489 HydrophobicContact CB-CE2 3.92Å; A439-Y489 HydrophobicContact CB-CG 4.11Å
440	P	87.3	Confident	93.9	Very high	52 Å²	52	40.8 Å²	40.8	34%	0.338	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.3	-173.8	-27.8	34.5	0	0	0	114.9	Y438 K446 D471 T473	Y438-P440 HydrophobicContact CE2-CG 4.06Å; P440-K446 WeakPolarHBondContact O-CE 3.02Å; P440-D471 WeakPolarHBondContact CD-OD1 3.22Å; P440-D471 WeakPolarHBondContact CD-OD2 3.48Å; P440-D471 WeakPolarHBondContact CG-OD2 3.38Å; P440-T473 WeakPolarHBondContact CD-OG1 3.35Å
441	W	80.6	Confident	94	Very high	176 Å²	176	41.6 Å²	41.6	67%	0.667	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7	179.5	50.6	-102.6	0	0	0	114.3	A439 P443 Y489	A439-W441 HydrophobicContact CB-CD2 4.14Å; A439-W441 HydrophobicContact CB-CH2 4.31Å; A439-W441 HydrophobicContact CB-CZ2 3.75Å; A439-W441 PolarHBondContact O-N 3.21Å; A439-W441 VanDerWaalsContact O-N 3.15Å; W441-P443 WeakPolarHBondContact O-CD 3.27Å; W441-Y489 HydrophobicContact CH2-CD2 4.14Å; W441-Y489 HydrophobicContact CH2-CE2 4.26Å; W441-Y489 HydrophobicContact CZ2-CD2 4.45Å; W441-Y489 HydrophobicContact CZ2-CE2 4.27Å
442	C	88.3	Confident	94	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.061	20%	0.2	C	C	.	.			trans	-81.3	121.4	-175.8	178.7	0	0	0	0	111.6	A439 H444 C445 K446 Y489	A439-C442 HydrophobicContact CB-CB 4.32Å; A439-C442 WeakPolarHBondContact O-CB 3.38Å; A439-C442 PolarHBondContact O-N 3.07Å; C442-H444 VanDerWaalsContact C-N 3.35Å; C442-H444 PolarHBondContact O-N 3.46Å; C442-C445 HydrophobicContact CB-CB 3.92Å; C442-C445 VanDerWaalsContact CB-SG 3.54Å; C442-C445 WeakPolarHBondContact O-CB 3.47Å; C442-C445 PolarHBondContact O-N 3.34Å; C442-C445 VanDerWaalsContact SG-SG 3.66Å; C442-K446 PolarHBondContact O-N 2.7Å; C442-Y489 PolarHBondContact SG-O 2.88Å; C442-Y489 VanDerWaalsContact SG-O 3.42Å
443	P	85.3	Confident	94	Very high	86 Å²	86	40.8 Å²	40.8	56%	0.558	21%	0.208	S	C	*	.	H	α-helix	trans	-59.9	-40.7	179.8	-25.3	35.4	0	0	0	113.4	W441 C445 K446 N447	W441-P443 WeakPolarHBondContact O-CD 3.27Å; P443-C445 PolarHBondContact O-N 3.31Å; P443-K446 PolarHBondContact O-N 2.6Å; P443-N447 PolarHBondContact O-N 2.78Å; P443-N447 PolarHBondContact O-OD1 2.86Å
444	H	91.8	Very high	93.9	Very high	124 Å²	124	43.8 Å²	43.8	57%	0.574	23%	0.226	S	C	*	.	H	α-helix	trans	-65.7	-25	176.9	-57.3	-57.5	0	0	0	112.9	C442 A448	C442-H444 VanDerWaalsContact C-N 3.35Å; C442-H444 PolarHBondContact O-N 3.46Å; H444-A448 PolarHBondContact O-N 2.59Å
445	C	95.2	Very high	93.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-73.8	-51.8	170.8	-63.6	0	0	0	0	110.3	M436 Y438 C442 P443 N447 A448 V449	M436-C445 HydrophobicContact CE-CB 4.05Å; Y438-C445 VanDerWaalsContact CB-SG 3.59Å; C442-C445 HydrophobicContact CB-CB 3.92Å; C442-C445 VanDerWaalsContact CB-SG 3.54Å; C442-C445 WeakPolarHBondContact O-CB 3.47Å; C442-C445 PolarHBondContact O-N 3.34Å; C442-C445 VanDerWaalsContact SG-SG 3.66Å; P443-C445 PolarHBondContact O-N 3.31Å; C445-N447 PolarHBondContact O-N 2.95Å; C445-A448 PolarHBondContact O-N 2.91Å; C445-V449 WeakPolarHBondContact O-CG2 3.44Å; C445-V449 PolarHBondContact O-N 3.48Å
446	K	92.1	Very high	93.8	Very high	92 Å²	92	43.9 Å²	43.9	40%	0.4	23%	0.227	S	C	.	.	H	α-helix	trans	-54.5	-37.6	179	-69.8	-159	169.5	-152	0	112.8	E405 P440 C442 P443 P450	E405-K446 IonicContact OE1-NZ 3.07Å; E405-K446 PolarHBondContact OE1-NZ 3.13Å; E405-K446 IonicContact OE2-NZ 2.72Å; E405-K446 PolarHBondContact OE2-NZ 3.26Å; P440-K446 WeakPolarHBondContact O-CE 3.02Å; C442-K446 PolarHBondContact O-N 2.7Å; P443-K446 PolarHBondContact O-N 2.6Å; K446-P450 VanDerWaalsContact O-CD 3.3Å; K446-P450 WeakPolarHBondContact O-CD 3.44Å
447	N	94.4	Very high	93.7	Very high	114 Å²	114	47.9 Å²	47.9	61%	0.61	25%	0.246	S	C	*	.	H	α-helix	trans	-70.7	-31.1	176.3	-67.5	9.1	0	0	0	113.6	P443 C445	P443-N447 PolarHBondContact O-N 2.78Å; P443-N447 PolarHBondContact O-OD1 2.86Å; C445-N447 PolarHBondContact O-N 2.95Å
448	A	95.1	Very high	93.6	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-87.5	-26.2	-178.7	0	0	0	0	0	113.5	M436 H444 C445 H451 F452 P490 F492	M436-A448 HydrophobicContact CE-CB 4.06Å; H444-A448 PolarHBondContact O-N 2.59Å; C445-A448 PolarHBondContact O-N 2.91Å; A448-H451 PolarHBondContact O-N 3.07Å; A448-F452 WeakPolarHBondContact O-CB 3.27Å; A448-F452 PolarHBondContact O-N 3.27Å; A448-P490 HydrophobicContact CB-CG 4.45Å; A448-F492 HydrophobicContact CB-CZ 3.99Å
449	V	95.8	Very high	93.5	Very high	27 Å²	27	52.7 Å²	52.7	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-44.8	-56.8	177	157.6	0	0	0	0	113.9	W408 M436 C445 H451 F452 T453	W408-V449 HydrophobicContact CD2-CB 4.46Å; W408-V449 HydrophobicContact CD2-CG1 4.02Å; W408-V449 HydrophobicContact CD2-CG2 3.71Å; W408-V449 HydrophobicContact CE3-CG2 3.68Å; W408-V449 HydrophobicContact CG-CG1 4.08Å; W408-V449 HydrophobicContact CG-CG2 4.3Å; W408-V449 HydrophobicContact CH2-CG2 4.11Å; W408-V449 HydrophobicContact CZ2-CB 4.41Å; W408-V449 HydrophobicContact CZ2-CG1 4.25Å; W408-V449 HydrophobicContact CZ2-CG2 4.11Å; W408-V449 HydrophobicContact CZ3-CG2 3.89Å; M436-V449 HydrophobicContact CE-CG2 4.06Å; C445-V449 WeakPolarHBondContact O-CG2 3.44Å; C445-V449 PolarHBondContact O-N 3.48Å; V449-H451 PolarHBondContact O-N 3.31Å; V449-F452 PolarHBondContact O-N 2.89Å; V449-T453 PolarHBondContact O-N 2.92Å; V449-T453 PolarHBondContact O-OG1 3.26Å
450	P	95.7	Very high	93.6	Very high	62 Å²	62	57.8 Å²	57.8	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-46.5	-176	22.3	-33.2	0	0	0	111.6	K446 F452 T453 T454	K446-P450 VanDerWaalsContact O-CD 3.3Å; K446-P450 WeakPolarHBondContact O-CD 3.44Å; P450-F452 VanDerWaalsContact C-N 3.33Å; P450-F452 PolarHBondContact O-N 3.04Å; P450-T453 PolarHBondContact O-N 3.33Å; P450-T454 PolarHBondContact O-N 3.49Å; P450-T454 PolarHBondContact O-OG1 3.21Å; P450-T454 VanDerWaalsContact O-OG1 3.07Å
451	H	97.3	Very high	94	Very high	67 Å²	67	62.6 Å²	62.6	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-36.2	-179.8	-60.7	-38.2	0	0	0	113.2	A448 V449 A455 E510 F513	A448-H451 PolarHBondContact O-N 3.07Å; V449-H451 PolarHBondContact O-N 3.31Å; H451-A455 WeakPolarHBondContact O-CB 3.39Å; H451-A455 PolarHBondContact O-N 3.25Å; H451-E510 HydrophobicContact CB-CG 3.7Å; H451-E510 IonicContact CE1-OE1 2.65Å; H451-E510 IonicContact CG-OE1 2.66Å; H451-E510 IonicContact ND1-OE1 3.62Å; H451-E510 PolarHBondContact ND1-OE1 3.06Å; H451-F513 HydrophobicContact CB-CD2 4.28Å; H451-F513 HydrophobicContact CB-CE2 4.15Å
452	F	97.8	Very high	94.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-38.2	176	-163.7	-98	0	0	0	111.8	W408 V415 L434 M436 A448 V449 P450 A455 A456 Y467 A468 F492 F513	W408-F452 AromaticContact CH2-CD1 3.74Å; W408-F452 HydrophobicContact CH2-CD1 3.74Å; W408-F452 HydrophobicContact CH2-CE1 4.38Å; W408-F452 HydrophobicContact CH2-CG 4.47Å; W408-F452 HydrophobicContact CZ2-CD1 4.06Å; V415-F452 HydrophobicContact CG1-CD1 4.43Å; V415-F452 HydrophobicContact CG1-CE1 4.22Å; V415-F452 HydrophobicContact CG2-CD1 4.24Å; L434-F452 HydrophobicContact CD2-CE2 3.81Å; L434-F452 HydrophobicContact CG-CE2 3.93Å; L434-F452 HydrophobicContact CG-CZ 4.35Å; M436-F452 HydrophobicContact CB-CD1 4.23Å; M436-F452 HydrophobicContact CB-CD2 4.43Å; M436-F452 HydrophobicContact CB-CE1 3.8Å; M436-F452 HydrophobicContact CB-CE2 4.02Å; M436-F452 HydrophobicContact CB-CZ 3.67Å; M436-F452 HydrophobicContact SD-CB 4.21Å; M436-F452 HydrophobicContact SD-CD1 4.23Å; M436-F452 HydrophobicContact SD-CD2 4.43Å; M436-F452 HydrophobicContact SD-CG 4.06Å; A448-F452 WeakPolarHBondContact O-CB 3.27Å; A448-F452 PolarHBondContact O-N 3.27Å; V449-F452 PolarHBondContact O-N 2.89Å; P450-F452 VanDerWaalsContact C-N 3.33Å; P450-F452 PolarHBondContact O-N 3.04Å; F452-A455 PolarHBondContact O-N 3.12Å; F452-A456 WeakPolarHBondContact O-CB 3.09Å; F452-A456 PolarHBondContact O-N 2.58Å; F452-Y467 HydrophobicContact CD1-CD1 4.41Å; F452-Y467 HydrophobicContact CD2-CD1 4.1Å; F452-Y467 HydrophobicContact CE1-CD1 4.1Å; F452-Y467 AromaticContact CE2-CD1 3.76Å; F452-Y467 HydrophobicContact CE2-CD1 3.76Å; F452-Y467 HydrophobicContact CE2-CE1 4.35Å; F452-Y467 HydrophobicContact CG-CD1 4.43Å; F452-Y467 AromaticContact CZ-CD1 3.77Å; F452-Y467 HydrophobicContact CZ-CD1 3.77Å; F452-Y467 HydrophobicContact CZ-CG 4.44Å; F452-A468 WeakPolarHBondContact CE1-O 3.27Å; F452-F492 HydrophobicContact CD2-CD1 4.1Å; F452-F492 AromaticContact CD2-CE1 3.63Å; F452-F492 HydrophobicContact CD2-CE1 3.63Å; F452-F492 AromaticContact CE2-CD1 3.74Å; F452-F492 HydrophobicContact CE2-CD1 3.74Å; F452-F492 AromaticContact CE2-CE1 3.74Å; F452-F492 HydrophobicContact CE2-CE1 3.74Å; F452-F492 HydrophobicContact CG-CE1 4.44Å; F452-F513 HydrophobicContact CB-CD2 4.42Å; F452-F513 HydrophobicContact CB-CE2 4.07Å; F452-F513 HydrophobicContact CD2-CD1 4.15Å; F452-F513 HydrophobicContact CD2-CD2 4.21Å; F452-F513 AromaticContact CD2-CE1 3.96Å; F452-F513 HydrophobicContact CD2-CE1 3.96Å; F452-F513 HydrophobicContact CD2-CE2 4.02Å; F452-F513 HydrophobicContact CD2-CG 4.29Å; F452-F513 AromaticContact CD2-CZ 3.9Å; F452-F513 HydrophobicContact CD2-CZ 3.9Å; F452-F513 HydrophobicContact CE2-CE1 4.43Å
453	T	96.4	Very high	94.8	Very high	35 Å²	35	65.8 Å²	65.8	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-43.6	173.1	-73.3	0	0	0	0	112.3	W408 V449 P450 A455 A456 E457	W408-T453 PolarHBondContact NE1-OG1 3.46Å; W408-T453 VanDerWaalsContact NE1-OG1 3.13Å; V449-T453 PolarHBondContact O-N 2.92Å; V449-T453 PolarHBondContact O-OG1 3.26Å; P450-T453 PolarHBondContact O-N 3.33Å; T453-A455 VanDerWaalsContact C-N 3.31Å; T453-A455 PolarHBondContact O-N 2.9Å; T453-A456 WeakPolarHBondContact O-CB 3.44Å; T453-A456 PolarHBondContact O-N 2.88Å; T453-E457 PolarHBondContact O-N 2.77Å
454	T	96.3	Very high	95.2	Very high	62 Å²	62	67.8 Å²	67.8	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-41.5	173.6	-52.9	0	0	0	0	111.3	P450 E457 L458 E510	P450-T454 PolarHBondContact O-N 3.49Å; P450-T454 PolarHBondContact O-OG1 3.21Å; P450-T454 VanDerWaalsContact O-OG1 3.07Å; T454-E457 PolarHBondContact O-N 3.27Å; T454-L458 PolarHBondContact O-N 3.44Å; T454-E510 HydrophobicContact CG2-CG 4.14Å; T454-E510 PolarHBondContact OG1-OE1 3.2Å
455	A	96.9	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-40.9	175.2	0	0	0	0	0	112.1	H451 F452 T453 L458 F459 Y467 F513 I514	H451-A455 WeakPolarHBondContact O-CB 3.39Å; H451-A455 PolarHBondContact O-N 3.25Å; F452-A455 PolarHBondContact O-N 3.12Å; T453-A455 VanDerWaalsContact C-N 3.31Å; T453-A455 PolarHBondContact O-N 2.9Å; A455-L458 PolarHBondContact O-N 2.92Å; A455-F459 WeakPolarHBondContact O-CD2 3.2Å; A455-Y467 HydrophobicContact CB-CD1 4.23Å; A455-Y467 HydrophobicContact CB-CE1 3.62Å; A455-F513 HydrophobicContact CB-CB 3.71Å; A455-I514 HydrophobicContact CB-CG1 3.84Å
456	A	97.3	Very high	95.5	Very high	2 Å²	2	63 Å²	63	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-46.8	176.2	0	0	0	0	0	112.6	V415 F452 T453 L458 F459 K460 Y467	V415-A456 HydrophobicContact CG2-CB 3.61Å; F452-A456 WeakPolarHBondContact O-CB 3.09Å; F452-A456 PolarHBondContact O-N 2.58Å; T453-A456 WeakPolarHBondContact O-CB 3.44Å; T453-A456 PolarHBondContact O-N 2.88Å; A456-L458 VanDerWaalsContact C-N 3.29Å; A456-L458 PolarHBondContact O-N 3.4Å; A456-F459 PolarHBondContact O-N 3.45Å; A456-F459 VanDerWaalsContact O-N 3.08Å; A456-K460 PolarHBondContact O-N 2.94Å; A456-Y467 VanDerWaalsContact CB-CB 3.49Å; A456-Y467 HydrophobicContact CB-CD2 4.35Å; A456-Y467 HydrophobicContact CB-CG 3.91Å
457	E	96.6	Very high	95.8	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-57.8	-40.3	-179.7	-173.4	60.4	-159.3	0	0	112.2	S414 T453 T454 F459 K460	S414-E457 WeakPolarHBondContact CB-OE2 3.38Å; S414-E457 PolarHBondContact OG-OE2 2.95Å; T453-E457 PolarHBondContact O-N 2.77Å; T454-E457 PolarHBondContact O-N 3.27Å; E457-F459 PolarHBondContact O-N 2.97Å; E457-K460 WeakPolarHBondContact O-CG 3.49Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE1-CD 3.29Å; E457-K460 WeakPolarHBondContact OE1-CE 3.07Å; E457-K460 IonicContact OE1-NZ 3.82Å; E457-K460 PolarHBondContact OE1-NZ 2.94Å
458	L	96.4	Very high	96	Very high	94 Å²	94	53.3 Å²	53.3	49%	0.492	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-23.6	178.5	-175	63.2	0	0	0	113.9	T454 A455 A456 I514	T454-L458 PolarHBondContact O-N 3.44Å; A455-L458 PolarHBondContact O-N 2.92Å; A456-L458 VanDerWaalsContact C-N 3.29Å; A456-L458 PolarHBondContact O-N 3.4Å; L458-I514 HydrophobicContact CD2-CB 4.4Å; L458-I514 HydrophobicContact CD2-CD1 3.71Å; L458-I514 HydrophobicContact CD2-CG1 3.88Å; L458-I514 HydrophobicContact CD2-CG2 3.6Å
459	F	95.4	Very high	96.1	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-109.7	1.2	-177.5	-71.9	-78.2	0	0	0	114.6	A455 A456 E457 E461 D462 I465 Y467 I514 M517 R518	A455-F459 WeakPolarHBondContact O-CD2 3.2Å; A456-F459 PolarHBondContact O-N 3.45Å; A456-F459 VanDerWaalsContact O-N 3.08Å; E457-F459 PolarHBondContact O-N 2.97Å; F459-E461 PolarHBondContact O-N 2.83Å; F459-E461 VanDerWaalsContact O-N 3.1Å; F459-D462 PolarHBondContact O-N 3.31Å; F459-I465 HydrophobicContact CB-CG2 3.88Å; F459-I465 HydrophobicContact CD1-CD1 3.75Å; F459-I465 HydrophobicContact CD1-CG2 4.4Å; F459-I465 HydrophobicContact CE1-CD1 4.17Å; F459-I465 HydrophobicContact CG-CG2 4.21Å; F459-Y467 HydrophobicContact CB-CD2 4.44Å; F459-Y467 HydrophobicContact CB-CE2 4.09Å; F459-Y467 HydrophobicContact CD2-CD2 4.49Å; F459-Y467 AromaticContact CD2-CE2 3.47Å; F459-Y467 HydrophobicContact CD2-CE2 3.47Å; F459-Y467 VanDerWaalsContact CD2-CE2 3.47Å; F459-Y467 AromaticContact CD2-CZ 3.96Å; F459-Y467 HydrophobicContact CE2-CE2 4.18Å; F459-Y467 HydrophobicContact CG-CE2 4.04Å; F459-I514 HydrophobicContact CE2-CG2 4.32Å; F459-M517 HydrophobicContact CD1-CG 4.16Å; F459-M517 HydrophobicContact CD2-CB 4.41Å; F459-M517 HydrophobicContact CD2-CG 4.17Å; F459-M517 HydrophobicContact CE1-CB 4.3Å; F459-M517 HydrophobicContact CE1-CG 3.9Å; F459-M517 HydrophobicContact CE2-CB 3.75Å; F459-M517 HydrophobicContact CE2-CG 3.92Å; F459-M517 HydrophobicContact CG-CG 4.28Å; F459-M517 HydrophobicContact CZ-CB 3.67Å; F459-M517 HydrophobicContact CZ-CG 3.76Å; F459-R518 HydrophobicContact CZ-CG 4.01Å
460	K	94.2	Very high	96.2	Very high	107 Å²	107	51.9 Å²	51.9	47%	0.465	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.9	-173.2	74.5	-172.7	-176.2	180	0	114.6	S414 A456 E457	S414-K460 WeakPolarHBondContact OG-CB 3.28Å; S414-K460 WeakPolarHBondContact OG-CD 3.5Å; A456-K460 PolarHBondContact O-N 2.94Å; E457-K460 WeakPolarHBondContact O-CG 3.49Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE1-CD 3.29Å; E457-K460 WeakPolarHBondContact OE1-CE 3.07Å; E457-K460 IonicContact OE1-NZ 3.82Å; E457-K460 PolarHBondContact OE1-NZ 2.94Å
461	E	94.2	Very high	96.3	Very high	153 Å²	153	49.8 Å²	49.8	72%	0.715	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-21.2	-179.7	-57.4	-54.7	147.8	0	0	113.6	F459 R463	F459-E461 PolarHBondContact O-N 2.83Å; F459-E461 VanDerWaalsContact O-N 3.1Å; E461-R463 PolarHBondContact O-N 3.39Å
462	D	93.8	Very high	96.2	Very high	33 Å²	33	46.7 Å²	46.7	18%	0.176	22%	0.218	C	C	.	.			trans	-77.3	94	174.5	-167.2	-27.2	0	0	0	109.5	F459 K464 I465 R521	F459-D462 PolarHBondContact O-N 3.31Å; D462-K464 PolarHBondContact O-N 2.89Å; D462-K464 VanDerWaalsContact OD1-CB 3.28Å; D462-K464 WeakPolarHBondContact OD1-CB 3.43Å; D462-K464 PolarHBondContact OD1-N 2.88Å; D462-I465 HydrophobicContact CB-CB 4.22Å; D462-I465 HydrophobicContact CB-CD1 4.05Å; D462-I465 HydrophobicContact CB-CG1 4.24Å; D462-I465 PolarHBondContact O-N 3.38Å; D462-I465 WeakPolarHBondContact OD2-CD1 3.37Å; D462-R521 IonicContact OD2-CZ 2.63Å; D462-R521 IonicContact OD2-NE 3.17Å; D462-R521 PolarHBondContact OD2-NE 3.29Å; D462-R521 IonicContact OD2-NH2 2.75Å; D462-R521 PolarHBondContact OD2-NH2 3.37Å
463	R	92.6	Very high	95.7	Very high	219 Å²	219	50 Å²	50	83%	0.826	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.7	178.8	-62.7	-174.7	-179.8	-168.6	-1.1	113.7	K430 E461 I465	K430-R463 VanDerWaalsContact CD-O 3.29Å; K430-R463 WeakPolarHBondContact CD-O 3.46Å; K430-R463 PolarHBondContact NZ-O 3.04Å; E461-R463 PolarHBondContact O-N 3.39Å; R463-I465 VanDerWaalsContact C-N 3.34Å
464	K	93.9	Very high	95.3	Very high	129 Å²	129	52.9 Å²	52.9	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.2	178.6	-60.4	174.7	-178.6	168.2	0	113.4	K430 K431 H432 D462	K430-K464 CarbonylContact C-O 3.52Å; K431-K464 WeakPolarHBondContact CA-O 3.48Å; K431-K464 HydrophobicContact CB-CB 3.99Å; K431-K464 PolarHBondContact N-O 3.4Å; H432-K464 PolarHBondContact N-O 2.84Å; D462-K464 PolarHBondContact O-N 2.89Å; D462-K464 VanDerWaalsContact OD1-CB 3.28Å; D462-K464 WeakPolarHBondContact OD1-CB 3.43Å; D462-K464 PolarHBondContact OD1-N 2.88Å
465	I	96.4	Very high	94.7	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.3	-174.8	-63	175.2	0	0	0	110.4	K430 H432 F459 D462 R463 Y467 M517 R521	K430-I465 WeakPolarHBondContact CD-O 3.36Å; K430-I465 WeakPolarHBondContact CE-O 3.3Å; K430-I465 PolarHBondContact NZ-O 2.87Å; H432-I465 HydrophobicContact CB-CG1 4.48Å; H432-I465 CarbonylContact O-C 3.59Å; H432-I465 VanDerWaalsContact O-CA 3.27Å; H432-I465 WeakPolarHBondContact O-CA 3.35Å; F459-I465 HydrophobicContact CB-CG2 3.88Å; F459-I465 HydrophobicContact CD1-CD1 3.75Å; F459-I465 HydrophobicContact CD1-CG2 4.4Å; F459-I465 HydrophobicContact CE1-CD1 4.17Å; F459-I465 HydrophobicContact CG-CG2 4.21Å; D462-I465 HydrophobicContact CB-CB 4.22Å; D462-I465 HydrophobicContact CB-CD1 4.05Å; D462-I465 HydrophobicContact CB-CG1 4.24Å; D462-I465 PolarHBondContact O-N 3.38Å; D462-I465 WeakPolarHBondContact OD2-CD1 3.37Å; R463-I465 VanDerWaalsContact C-N 3.34Å; I465-Y467 HydrophobicContact CG2-CD2 4.43Å; I465-Y467 HydrophobicContact CG2-CE2 4.27Å; I465-M517 HydrophobicContact CD1-CG 3.98Å; I465-M517 HydrophobicContact CD1-SD 4.23Å; I465-M517 HydrophobicContact CG1-SD 4.31Å; I465-M517 HydrophobicContact CG2-CE 3.88Å; I465-M517 HydrophobicContact CG2-CG 3.85Å; I465-M517 HydrophobicContact CG2-SD 3.68Å; I465-R521 VanDerWaalsContact CD1-CD 3.44Å; I465-R521 HydrophobicContact CD1-CG 3.67Å
466	V	97.6	Very high	94.2	Very high	19 Å²	19	59.3 Å²	59.3	12%	0.115	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.4	164.7	70.2	0	0	0	0	110.3	L427 K430 H432 A433 L434	L427-V466 HydrophobicContact CD2-CG1 4.31Å; K430-V466 HydrophobicContact CB-CG1 3.97Å; K430-V466 HydrophobicContact CD-CB 4.01Å; K430-V466 HydrophobicContact CD-CG1 4.31Å; K430-V466 HydrophobicContact CG-CB 3.93Å; K430-V466 HydrophobicContact CG-CG1 3.7Å; H432-V466 PolarHBondContact O-N 2.9Å; A433-V466 WeakPolarHBondContact CA-O 3.47Å; A433-V466 HydrophobicContact CB-CG1 3.4Å; L434-V466 PolarHBondContact N-O 2.84Å; L434-V466 VanDerWaalsContact N-O 3.08Å
467	Y	98.4	Very high	93.9	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127	159.6	-76.6	-109.7	0	0	0	106.2	V415 S416 L434 F452 A455 A456 F459 I465 F513 M517	V415-Y467 WeakPolarHBondContact CA-O 3.43Å; S416-Y467 PolarHBondContact N-O 2.93Å; L434-Y467 HydrophobicContact CB-CD1 4.4Å; L434-Y467 HydrophobicContact CB-CE1 4.44Å; L434-Y467 HydrophobicContact CD2-CD1 4.33Å; L434-Y467 HydrophobicContact CD2-CE1 3.88Å; L434-Y467 WeakPolarHBondContact O-CA 3.33Å; F452-Y467 HydrophobicContact CD1-CD1 4.41Å; F452-Y467 HydrophobicContact CD2-CD1 4.1Å; F452-Y467 HydrophobicContact CE1-CD1 4.1Å; F452-Y467 AromaticContact CE2-CD1 3.76Å; F452-Y467 HydrophobicContact CE2-CD1 3.76Å; F452-Y467 HydrophobicContact CE2-CE1 4.35Å; F452-Y467 HydrophobicContact CG-CD1 4.43Å; F452-Y467 AromaticContact CZ-CD1 3.77Å; F452-Y467 HydrophobicContact CZ-CD1 3.77Å; F452-Y467 HydrophobicContact CZ-CG 4.44Å; A455-Y467 HydrophobicContact CB-CD1 4.23Å; A455-Y467 HydrophobicContact CB-CE1 3.62Å; A456-Y467 VanDerWaalsContact CB-CB 3.49Å; A456-Y467 HydrophobicContact CB-CD2 4.35Å; A456-Y467 HydrophobicContact CB-CG 3.91Å; F459-Y467 HydrophobicContact CB-CD2 4.44Å; F459-Y467 HydrophobicContact CB-CE2 4.09Å; F459-Y467 HydrophobicContact CD2-CD2 4.49Å; F459-Y467 AromaticContact CD2-CE2 3.47Å; F459-Y467 HydrophobicContact CD2-CE2 3.47Å; F459-Y467 VanDerWaalsContact CD2-CE2 3.47Å; F459-Y467 AromaticContact CD2-CZ 3.96Å; F459-Y467 HydrophobicContact CE2-CE2 4.18Å; F459-Y467 HydrophobicContact CG-CE2 4.04Å; I465-Y467 HydrophobicContact CG2-CD2 4.43Å; I465-Y467 HydrophobicContact CG2-CE2 4.27Å; Y467-F513 HydrophobicContact CE1-CB 4.22Å; Y467-F513 PolarHBondContact OH-O 3.23Å; Y467-M517 HydrophobicContact CD2-CE 4.33Å; Y467-M517 HydrophobicContact CE2-CB 4.45Å; Y467-M517 HydrophobicContact CE2-CE 3.72Å; Y467-M517 HydrophobicContact CE2-CG 4.13Å; Y467-M517 WeakPolarHBondContact OH-CB 3.37Å
468	A	98.1	Very high	93.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.7	-173.6	0	0	0	0	0	111.3	S416 L418 L434 V435 M436 F452	S416-A468 CarbonylContact O-C 3.59Å; S416-A468 WeakPolarHBondContact O-CA 3.44Å; S416-A468 VanDerWaalsContact O-CB 3.27Å; S416-A468 WeakPolarHBondContact O-CB 3.29Å; L418-A468 HydrophobicContact CD1-CB 3.71Å; L418-A468 HydrophobicContact CG-CB 4.26Å; L434-A468 PolarHBondContact O-N 3.04Å; V435-A468 CarbonylContact C-O 3.58Å; V435-A468 VanDerWaalsContact CA-O 3.32Å; V435-A468 WeakPolarHBondContact CA-O 3.28Å; V435-A468 HydrophobicContact CG2-CB 4.28Å; M436-A468 PolarHBondContact N-O 3.31Å; F452-A468 WeakPolarHBondContact CE1-O 3.27Å
469	A	98.1	Very high	93.2	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.6	-180	0	0	0	0	0	110.9	W408 V415 S416 H417 L418 M436 Y438	W408-A469 HydrophobicContact CE3-CB 4.07Å; W408-A469 HydrophobicContact CH2-CB 3.78Å; W408-A469 HydrophobicContact CZ3-CB 3.45Å; W408-A469 VanDerWaalsContact CZ3-CB 3.45Å; V415-A469 HydrophobicContact CG1-CB 3.66Å; S416-A469 PolarHBondContact O-N 2.94Å; H417-A469 WeakPolarHBondContact CA-O 3.28Å; L418-A469 PolarHBondContact N-O 3.45Å; M436-A469 WeakPolarHBondContact O-CA 3.43Å; Y438-A469 HydrophobicContact CD1-CB 4.28Å; Y438-A469 HydrophobicContact CE1-CB 3.96Å
470	V	97.8	Very high	93.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.7	175.8	178	0	0	0	0	108.1	L418 F423 V435 M436 F437 Y438 C472 N477 L480	L418-V470 HydrophobicContact CB-CG2 4.16Å; F423-V470 HydrophobicContact CD2-CG2 3.88Å; F423-V470 HydrophobicContact CE2-CG2 3.98Å; V435-V470 HydrophobicContact CG1-CG2 4.03Å; M436-V470 PolarHBondContact O-N 3.27Å; F437-V470 HydrophobicContact CD1-CB 3.66Å; F437-V470 HydrophobicContact CD1-CG1 4.01Å; F437-V470 HydrophobicContact CD1-CG2 4.14Å; F437-V470 HydrophobicContact CE1-CB 3.91Å; F437-V470 HydrophobicContact CE1-CG1 4.16Å; F437-V470 HydrophobicContact CE1-CG2 3.9Å; Y438-V470 WeakPolarHBondContact CD1-O 3.36Å; Y438-V470 PolarHBondContact N-O 3.22Å; V470-C472 PolarHBondContact O-N 3.02Å; V470-N477 HydrophobicContact CG1-CB 4.15Å; V470-L480 HydrophobicContact CG1-CD2 3.92Å; V470-L480 HydrophobicContact CG2-CD2 4.39Å
471	D	96.5	Very high	93.1	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109.5	169.7	-172.6	-26.3	0	0	0	109	Y438 P440 T473 K474 N477	Y438-D471 HydrophobicContact CE1-CB 3.98Å; Y438-D471 HydrophobicContact CE2-CB 4.34Å; P440-D471 WeakPolarHBondContact CD-OD1 3.22Å; P440-D471 WeakPolarHBondContact CD-OD2 3.48Å; P440-D471 WeakPolarHBondContact CG-OD2 3.38Å; D471-T473 PolarHBondContact O-N 3.35Å; D471-T473 WeakPolarHBondContact OD1-CA 3.48Å; D471-T473 WeakPolarHBondContact OD1-CB 3.46Å; D471-T473 PolarHBondContact OD1-N 3.02Å; D471-T473 PolarHBondContact OD1-OG1 3.02Å; D471-K474 HydrophobicContact CB-CB 4.08Å; D471-K474 PolarHBondContact O-N 3.39Å; D471-N477 WeakPolarHBondContact O-CB 3.46Å; D471-N477 PolarHBondContact O-ND2 2.82Å; D471-N477 VanDerWaalsContact O-ND2 3.07Å
472	C	95	Very high	93	Very high	2 Å²	2	54 Å²	54	1%	0.014	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.2	-178.9	-60.1	0	0	0	0	114.1	Y438 V470 H478 C481 Y489	Y438-C472 WeakPolarHBondContact O-CB 3.38Å; Y438-C472 PolarHBondContact O-N 3.36Å; V470-C472 PolarHBondContact O-N 3.02Å; C472-H478 WeakPolarHBondContact O-CA 3.46Å; C472-H478 PolarHBondContact O-N 2.87Å; C472-C481 WeakPolarHBondContact CA-SG 3.33Å; C472-C481 HydrophobicContact CB-CB 3.67Å; C472-C481 WeakPolarHBondContact CB-SG 3.19Å; C472-C481 WeakPolarHBondContact SG-CB 3.46Å; C472-C481 CovalentContact SG-SG 2.03Å; C472-C481 PolarHBondContact SG-SG 3.34Å; C472-Y489 HydrophobicContact CB-CE1 3.58Å; C472-Y489 WeakPolarHBondContact CB-OH 3.23Å
473	T	88.3	Confident	92.9	Very high	70 Å²	70	58.4 Å²	58.4	43%	0.429	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-11.4	179.2	72.4	0	0	0	0	113	A439 P440 D471	A439-T473 HydrophobicContact CB-CG2 3.6Å; P440-T473 WeakPolarHBondContact CD-OG1 3.35Å; D471-T473 PolarHBondContact O-N 3.35Å; D471-T473 WeakPolarHBondContact OD1-CA 3.48Å; D471-T473 WeakPolarHBondContact OD1-CB 3.46Å; D471-T473 PolarHBondContact OD1-N 3.02Å; D471-T473 PolarHBondContact OD1-OG1 3.02Å
474	K	87.5	Confident	92.9	Very high	96 Å²	96	49.4 Å²	49.4	42%	0.417	26%	0.258	S	S	.	.	S	Bend	trans	-95.9	113.4	-173.1	-175.6	175	170.5	-178.2	0	112.4	E409 D471 L476 N477	E409-K474 IonicContact OE1-NZ 2.63Å; E409-K474 PolarHBondContact OE1-NZ 2.82Å; E409-K474 IonicContact OE2-NZ 2.73Å; E409-K474 PolarHBondContact OE2-NZ 2.96Å; D471-K474 HydrophobicContact CB-CB 4.08Å; D471-K474 PolarHBondContact O-N 3.39Å; K474-L476 PolarHBondContact O-N 2.69Å; K474-N477 VanDerWaalsContact O-CB 3.25Å; K474-N477 WeakPolarHBondContact O-CB 3.17Å; K474-N477 PolarHBondContact O-N 2.93Å; K474-N477 VanDerWaalsContact O-N 3.12Å
475	G	84.4	Confident	92.7	Very high	69 Å²	69	44.8 Å²	44.8	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-128.4	171	0	0	0	0	0	113.6	N477	G475-N477 PolarHBondContact O-N 2.99Å
476	L	85.3	Confident	92.6	Very high	127 Å²	127	45.5 Å²	45.5	67%	0.665	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-11.4	-179.2	-61.5	178.4	0	0	0	113.8	S420 K474 H478 D479	S420-L476 VanDerWaalsContact OG-C 3.24Å; S420-L476 PolarHBondContact OG-O 2.73Å; K474-L476 PolarHBondContact O-N 2.69Å; L476-H478 PolarHBondContact O-N 3.38Å; L476-H478 VanDerWaalsContact O-N 3.11Å; L476-D479 PolarHBondContact O-N 3.48Å
477	N	91.7	Very high	92.2	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-19.8	-173.6	-66.7	-6.4	0	0	0	114	G419 S420 V470 D471 K474 G475 D479 L480 C481	G419-N477 WeakPolarHBondContact CA-OD1 3.34Å; S420-N477 PolarHBondContact N-OD1 3.33Å; S420-N477 WeakPolarHBondContact OG-CA 3.24Å; S420-N477 PolarHBondContact OG-N 3.5Å; S420-N477 PolarHBondContact OG-OD1 3.29Å; V470-N477 HydrophobicContact CG1-CB 4.15Å; D471-N477 WeakPolarHBondContact O-CB 3.46Å; D471-N477 PolarHBondContact O-ND2 2.82Å; D471-N477 VanDerWaalsContact O-ND2 3.07Å; K474-N477 VanDerWaalsContact O-CB 3.25Å; K474-N477 WeakPolarHBondContact O-CB 3.17Å; K474-N477 PolarHBondContact O-N 2.93Å; K474-N477 VanDerWaalsContact O-N 3.12Å; G475-N477 PolarHBondContact O-N 2.99Å; N477-D479 PolarHBondContact O-N 3.11Å; N477-L480 PolarHBondContact O-N 2.92Å; N477-C481 WeakPolarHBondContact O-CB 3.39Å; N477-C481 PolarHBondContact O-N 3.41Å; N477-C481 PolarHBondContact O-SG 2.96Å
478	H	88.7	Confident	91.7	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-51.5	-46.3	168.3	172.5	-86.9	0	0	0	111.4	C472 L476 C481 K482	C472-H478 WeakPolarHBondContact O-CA 3.46Å; C472-H478 PolarHBondContact O-N 2.87Å; L476-H478 PolarHBondContact O-N 3.38Å; L476-H478 VanDerWaalsContact O-N 3.11Å; H478-C481 PolarHBondContact O-N 2.98Å; H478-K482 WeakPolarHBondContact O-CB 3.44Å; H478-K482 PolarHBondContact O-N 2.96Å
479	D	89.9	Confident	91.5	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-78.9	-27.2	-177.6	-69.8	-10.5	0	0	0	112.2	L476 N477 Q483	L476-D479 PolarHBondContact O-N 3.48Å; N477-D479 PolarHBondContact O-N 3.11Å; D479-Q483 WeakPolarHBondContact O-CB 3.49Å; D479-Q483 WeakPolarHBondContact O-CG 3.44Å; D479-Q483 PolarHBondContact O-N 3.11Å; D479-Q483 PolarHBondContact O-NE2 3.03Å; D479-Q483 VanDerWaalsContact O-NE2 3.16Å
480	L	92.3	Very high	91.4	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-51.2	167	174.4	62.8	0	0	0	110.7	F423 V470 N477 K482 Q483 E484	F423-L480 HydrophobicContact CB-CD2 3.9Å; F423-L480 HydrophobicContact CD1-CD1 3.72Å; F423-L480 HydrophobicContact CD1-CD2 4.28Å; F423-L480 HydrophobicContact CD2-CD2 4.11Å; F423-L480 HydrophobicContact CE1-CD1 4.08Å; F423-L480 HydrophobicContact CG-CD1 4.16Å; F423-L480 HydrophobicContact CG-CD2 3.86Å; V470-L480 HydrophobicContact CG1-CD2 3.92Å; V470-L480 HydrophobicContact CG2-CD2 4.39Å; N477-L480 PolarHBondContact O-N 2.92Å; L480-K482 VanDerWaalsContact C-N 3.28Å; L480-K482 PolarHBondContact O-N 3.39Å; L480-Q483 WeakPolarHBondContact O-CB 3.3Å; L480-Q483 PolarHBondContact O-N 3.49Å; L480-E484 HydrophobicContact CD1-CG 3.88Å; L480-E484 WeakPolarHBondContact O-CG 3.45Å; L480-E484 PolarHBondContact O-N 3.5Å
481	C	94.8	Very high	91.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-36.8	179.6	-65.2	0	0	0	0	112	F437 C472 N477 H478 E484 G485 V486	F437-C481 HydrophobicContact CD1-CB 4.43Å; F437-C481 VanDerWaalsContact CD1-SG 3.54Å; C472-C481 WeakPolarHBondContact CA-SG 3.33Å; C472-C481 HydrophobicContact CB-CB 3.67Å; C472-C481 WeakPolarHBondContact CB-SG 3.19Å; C472-C481 WeakPolarHBondContact SG-CB 3.46Å; C472-C481 CovalentContact SG-SG 2.03Å; C472-C481 PolarHBondContact SG-SG 3.34Å; N477-C481 WeakPolarHBondContact O-CB 3.39Å; N477-C481 PolarHBondContact O-N 3.41Å; N477-C481 PolarHBondContact O-SG 2.96Å; H478-C481 PolarHBondContact O-N 2.98Å; C481-E484 PolarHBondContact O-N 2.6Å; C481-G485 PolarHBondContact O-N 3.33Å; C481-V486 HydrophobicContact CB-CB 4.02Å; C481-V486 HydrophobicContact CB-CG2 4.04Å; C481-V486 VanDerWaalsContact O-CB 3.28Å; C481-V486 WeakPolarHBondContact O-CB 3.27Å; C481-V486 WeakPolarHBondContact O-CG2 3.16Å; C481-V486 PolarHBondContact O-N 3.02Å
482	K	91.6	Very high	91.5	Very high	127 Å²	127	58 Å²	58	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-41	171.8	-168.7	-170.7	173.6	-160.4	0	112.3	H478 L480 G485	H478-K482 WeakPolarHBondContact O-CB 3.44Å; H478-K482 PolarHBondContact O-N 2.96Å; L480-K482 VanDerWaalsContact C-N 3.28Å; L480-K482 PolarHBondContact O-N 3.39Å; K482-G485 PolarHBondContact O-N 2.85Å
483	Q	91.8	Very high	91.6	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-64.5	-40.8	175.8	-77.7	166.4	55.9	0	0	112.4	D479 L480 G485	D479-Q483 WeakPolarHBondContact O-CB 3.49Å; D479-Q483 WeakPolarHBondContact O-CG 3.44Å; D479-Q483 PolarHBondContact O-N 3.11Å; D479-Q483 PolarHBondContact O-NE2 3.03Å; D479-Q483 VanDerWaalsContact O-NE2 3.16Å; L480-Q483 WeakPolarHBondContact O-CB 3.3Å; L480-Q483 PolarHBondContact O-N 3.49Å; Q483-G485 PolarHBondContact O-N 3.44Å
484	E	92.6	Very high	92.1	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.136	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	15.7	-177.7	-55.6	-60.2	139.8	0	0	113.2	F423 R424 F437 L480 C481 N493 Y495	F423-E484 HydrophobicContact CE1-CG 3.94Å; F423-E484 HydrophobicContact CZ-CG 4.2Å; R424-E484 IonicContact CZ-OE1 2.71Å; R424-E484 IonicContact NH1-OE1 3.17Å; R424-E484 PolarHBondContact NH1-OE1 3.02Å; R424-E484 IonicContact NH2-OE1 3.39Å; R424-E484 PolarHBondContact NH2-OE1 3.37Å; F437-E484 HydrophobicContact CE1-CB 4.23Å; F437-E484 HydrophobicContact CE1-CG 4.42Å; F437-E484 HydrophobicContact CE2-CB 4.16Å; F437-E484 HydrophobicContact CZ-CB 3.62Å; F437-E484 HydrophobicContact CZ-CG 3.93Å; L480-E484 HydrophobicContact CD1-CG 3.88Å; L480-E484 WeakPolarHBondContact O-CG 3.45Å; L480-E484 PolarHBondContact O-N 3.5Å; C481-E484 PolarHBondContact O-N 2.6Å; E484-N493 PolarHBondContact O-ND2 3.4Å; E484-Y495 WeakPolarHBondContact OE2-CE1 3.4Å; E484-Y495 PolarHBondContact OE2-OH 3.21Å
485	G	91	Very high	92.6	Very high	32 Å²	32	50.2 Å²	50.2	33%	0.33	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	34.8	168.5	0	0	0	0	0	115.1	C481 K482 Q483 E487 K503	C481-G485 PolarHBondContact O-N 3.33Å; K482-G485 PolarHBondContact O-N 2.85Å; Q483-G485 PolarHBondContact O-N 3.44Å; G485-E487 PolarHBondContact O-N 2.91Å; G485-K503 PolarHBondContact O-NZ 2.93Å
486	V	93.1	Very high	93.2	Very high	20 Å²	20	49.3 Å²	49.3	12%	0.121	26%	0.255	C	S	.	.			trans	-87.6	104.9	179.8	-177.2	0	0	0	0	110.5	F437 C481 Y489 T491	F437-V486 HydrophobicContact CB-CB 4.43Å; F437-V486 HydrophobicContact CB-CG1 3.98Å; F437-V486 HydrophobicContact CB-CG2 3.55Å; F437-V486 HydrophobicContact CD1-CG2 3.88Å; F437-V486 HydrophobicContact CD2-CG2 3.61Å; F437-V486 HydrophobicContact CE1-CG2 4.44Å; F437-V486 HydrophobicContact CE2-CG2 4.19Å; F437-V486 HydrophobicContact CG-CG2 3.41Å; F437-V486 VanDerWaalsContact CG-CG2 3.41Å; C481-V486 HydrophobicContact CB-CB 4.02Å; C481-V486 HydrophobicContact CB-CG2 4.04Å; C481-V486 VanDerWaalsContact O-CB 3.28Å; C481-V486 WeakPolarHBondContact O-CB 3.27Å; C481-V486 WeakPolarHBondContact O-CG2 3.16Å; C481-V486 PolarHBondContact O-N 3.02Å; V486-Y489 HydrophobicContact CG1-CD1 3.82Å; V486-Y489 HydrophobicContact CG1-CE1 3.58Å; V486-T491 HydrophobicContact CG2-CG2 4.31Å
487	E	89.2	Confident	93.7	Very high	180 Å²	180	48.9 Å²	48.9	84%	0.841	25%	0.245	S	C	*	.			trans	-96.6	-12.2	-179.2	-65.4	157.7	147.8	0	0	112.7	G485 K503	G485-E487 PolarHBondContact O-N 2.91Å; E487-K503 IonicContact OE2-NZ 3.75Å
488	G	88.7	Confident	93.8	Very high	33 Å²	33	49.5 Å²	49.5	34%	0.34	25%	0.254	S	S	.	.	S	Bend	trans	-171.3	168	-179.5	0	0	0	0	0	112.4	T491	G488-T491 PolarHBondContact O-N 2.81Å; G488-T491 PolarHBondContact O-OG1 2.77Å
489	Y	93.3	Very high	94.1	Very high	66 Å²	66	51.9 Å²	51.9	26%	0.259	26%	0.263	S	S	.	.	S	Bend	trans	-119.4	139.6	-169.2	-49	-58.8	0	0	0	112.9	A439 W441 C442 C472 V486	A439-Y489 HydrophobicContact CB-CD2 3.67Å; A439-Y489 HydrophobicContact CB-CE2 3.92Å; A439-Y489 HydrophobicContact CB-CG 4.11Å; W441-Y489 HydrophobicContact CH2-CD2 4.14Å; W441-Y489 HydrophobicContact CH2-CE2 4.26Å; W441-Y489 HydrophobicContact CZ2-CD2 4.45Å; W441-Y489 HydrophobicContact CZ2-CE2 4.27Å; C442-Y489 PolarHBondContact SG-O 2.88Å; C442-Y489 VanDerWaalsContact SG-O 3.42Å; C472-Y489 HydrophobicContact CB-CE1 3.58Å; C472-Y489 WeakPolarHBondContact CB-OH 3.23Å; V486-Y489 HydrophobicContact CG1-CD1 3.82Å; V486-Y489 HydrophobicContact CG1-CE1 3.58Å
490	P	96.5	Very high	94.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.019	26%	0.262	C	S	.	.	S	Bend	cis	-76.2	141.4	-12.5	29.6	-31.1	0	0	0	111.7	M436 F437 A448 F492 R508	M436-P490 HydrophobicContact CE-CB 3.93Å; M436-P490 HydrophobicContact CE-CG 4.47Å; M436-P490 HydrophobicContact CG-CB 4.32Å; F437-P490 WeakPolarHBondContact O-CA 3.16Å; A448-P490 HydrophobicContact CB-CG 4.45Å; P490-F492 HydrophobicContact CB-CE2 3.77Å; P490-F492 HydrophobicContact CB-CZ 3.83Å; P490-F492 HydrophobicContact CG-CE2 3.7Å; P490-F492 HydrophobicContact CG-CZ 3.94Å; P490-R508 PolarHBondContact O-NH1 3.13Å; P490-R508 PolarHBondContact O-NH2 3.47Å; P490-R508 VanDerWaalsContact O-NH2 3.09Å
491	T	97.7	Very high	94.5	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.4	164.2	-73.4	0	0	0	0	108.5	F437 V486 G488 N493	F437-T491 PolarHBondContact N-O 2.82Å; F437-T491 PolarHBondContact O-N 2.94Å; F437-T491 VanDerWaalsContact O-N 3.09Å; V486-T491 HydrophobicContact CG2-CG2 4.31Å; G488-T491 PolarHBondContact O-N 2.81Å; G488-T491 PolarHBondContact O-OG1 2.77Å; T491-N493 WeakPolarHBondContact CG2-OD1 3.35Å
492	F	98.3	Very high	94.4	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.4	177.6	-61.6	-84.3	0	0	0	109.7	L434 V435 M436 A448 F452 P490 K503 Y504 R508 F513	L434-F492 HydrophobicContact CD1-CB 4.35Å; V435-F492 CarbonylContact O-C 3.59Å; V435-F492 VanDerWaalsContact O-CA 3.27Å; V435-F492 WeakPolarHBondContact O-CA 3.09Å; M436-F492 HydrophobicContact CB-CD1 3.84Å; M436-F492 HydrophobicContact CB-CE1 3.61Å; M436-F492 HydrophobicContact CE-CZ 4.35Å; M436-F492 HydrophobicContact CG-CD1 4.06Å; M436-F492 HydrophobicContact CG-CE1 3.44Å; M436-F492 VanDerWaalsContact CG-CE1 3.44Å; M436-F492 HydrophobicContact CG-CZ 4.02Å; M436-F492 HydrophobicContact SD-CE1 3.58Å; M436-F492 VanDerWaalsContact SD-CE1 3.58Å; M436-F492 HydrophobicContact SD-CZ 3.93Å; A448-F492 HydrophobicContact CB-CZ 3.99Å; F452-F492 HydrophobicContact CD2-CD1 4.1Å; F452-F492 AromaticContact CD2-CE1 3.63Å; F452-F492 HydrophobicContact CD2-CE1 3.63Å; F452-F492 AromaticContact CE2-CD1 3.74Å; F452-F492 HydrophobicContact CE2-CD1 3.74Å; F452-F492 AromaticContact CE2-CE1 3.74Å; F452-F492 HydrophobicContact CE2-CE1 3.74Å; F452-F492 HydrophobicContact CG-CE1 4.44Å; P490-F492 HydrophobicContact CB-CE2 3.77Å; P490-F492 HydrophobicContact CB-CZ 3.83Å; P490-F492 HydrophobicContact CG-CE2 3.7Å; P490-F492 HydrophobicContact CG-CZ 3.94Å; F492-K503 CarbonylContact O-C 3.56Å; F492-Y504 HydrophobicContact CB-CD1 4.02Å; F492-Y504 HydrophobicContact CB-CG 4.38Å; F492-Y504 HydrophobicContact CG-CD1 4.33Å; F492-Y504 PolarHBondContact O-N 2.98Å; F492-R508 HydrophobicContact CE2-CG 4.14Å; F492-F513 AromaticContact CD1-CE1 3.92Å; F492-F513 HydrophobicContact CD1-CE1 3.92Å; F492-F513 HydrophobicContact CD1-CZ 4.29Å; F492-F513 HydrophobicContact CD2-CE1 4.42Å; F492-F513 AromaticContact CE1-CE1 3.72Å; F492-F513 HydrophobicContact CE1-CE1 3.72Å; F492-F513 AromaticContact CE1-CZ 3.62Å; F492-F513 HydrophobicContact CE1-CZ 3.62Å; F492-F513 HydrophobicContact CE2-CE1 4.27Å; F492-F513 HydrophobicContact CE2-CZ 4.1Å; F492-F513 HydrophobicContact CG-CE1 4.27Å; F492-F513 AromaticContact CZ-CE1 3.93Å; F492-F513 HydrophobicContact CZ-CE1 3.93Å; F492-F513 AromaticContact CZ-CZ 3.53Å; F492-F513 HydrophobicContact CZ-CZ 3.53Å
493	N	98	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.3	179	-73.7	3.6	0	0	0	110.1	V435 F437 E484 T491 Y495 F500	V435-N493 PolarHBondContact N-O 2.82Å; V435-N493 PolarHBondContact O-N 3.2Å; F437-N493 HydrophobicContact CE2-CB 3.97Å; E484-N493 PolarHBondContact O-ND2 3.4Å; T491-N493 WeakPolarHBondContact CG2-OD1 3.35Å; N493-Y495 HydrophobicContact CB-CD2 4.3Å; N493-Y495 HydrophobicContact CB-CE2 3.4Å; N493-Y495 PolarHBondContact ND2-OH 3.01Å; N493-Y495 VanDerWaalsContact ND2-OH 3.11Å; N493-F500 HydrophobicContact CB-CD2 4.02Å; N493-F500 HydrophobicContact CB-CE2 3.88Å
494	H	97.8	Very high	94.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.1	170.4	178.6	-116.3	0	0	0	111.3	H432 A433 V501 E502 F516 L520	H432-H494 AromaticContact CG-NE2 3.66Å; H432-H494 AromaticContact ND1-CE1 3.44Å; H432-H494 PolarHBondContact ND1-CE1 3.32Å; H432-H494 AromaticContact ND1-NE2 3.17Å; H432-H494 PolarHBondContact ND1-NE2 2.75Å; H432-H494 VanDerWaalsContact ND1-NE2 3.17Å; A433-H494 CarbonylContact O-C 3.42Å; A433-H494 WeakPolarHBondContact O-CA 3.3Å; A433-H494 PolarHBondContact O-CD2 3.23Å; A433-H494 VanDerWaalsContact O-CD2 3.29Å; H494-V501 WeakPolarHBondContact ND1-CB 3.25Å; H494-V501 PolarHBondContact O-N 3.1Å; H494-E502 HydrophobicContact CB-CG 3.99Å; H494-E502 PolarHBondContact N-O 2.94Å; H494-F516 HydrophobicContact CB-CE1 4.04Å; H494-F516 HydrophobicContact CB-CZ 3.89Å; H494-F516 AromaticContact CD2-CE1 3.96Å; H494-F516 AromaticContact CG-CZ 3.94Å; H494-L520 VanDerWaalsContact NE2-CD1 3.27Å; H494-L520 WeakPolarHBondContact NE2-CD1 3.48Å
495	Y	97.9	Very high	94.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.2	175.6	-55.3	-104.7	0	0	0	111.6	F423 L427 H432 A433 V435 F437 E484 N493 K499 F500	F423-Y495 HydrophobicContact CZ-CE1 4.24Å; F423-Y495 HydrophobicContact CZ-CE2 4.23Å; F423-Y495 AromaticContact CZ-CZ 3.85Å; L427-Y495 HydrophobicContact CD1-CD1 4.01Å; L427-Y495 HydrophobicContact CD1-CD2 3.81Å; L427-Y495 HydrophobicContact CD1-CE1 4.4Å; L427-Y495 HydrophobicContact CD1-CE2 4.17Å; L427-Y495 HydrophobicContact CD1-CG 3.74Å; H432-Y495 WeakPolarHBondContact CA-O 3.2Å; A433-Y495 PolarHBondContact N-O 3.41Å; A433-Y495 PolarHBondContact O-N 2.92Å; V435-Y495 HydrophobicContact CB-CD2 4.37Å; V435-Y495 HydrophobicContact CB-CE2 3.84Å; V435-Y495 HydrophobicContact CG2-CD2 3.58Å; V435-Y495 HydrophobicContact CG2-CE2 3.41Å; V435-Y495 VanDerWaalsContact CG2-CE2 3.41Å; F437-Y495 HydrophobicContact CE2-CE2 4.48Å; F437-Y495 WeakPolarHBondContact CE2-OH 3.22Å; F437-Y495 WeakPolarHBondContact CZ-OH 3.45Å; E484-Y495 WeakPolarHBondContact OE2-CE1 3.4Å; E484-Y495 PolarHBondContact OE2-OH 3.21Å; N493-Y495 HydrophobicContact CB-CD2 4.3Å; N493-Y495 HydrophobicContact CB-CE2 3.4Å; N493-Y495 PolarHBondContact ND2-OH 3.01Å; N493-Y495 VanDerWaalsContact ND2-OH 3.11Å; Y495-K499 CarbonylContact C-O 3.59Å; Y495-K499 WeakPolarHBondContact CA-O 3.41Å; Y495-K499 WeakPolarHBondContact CB-O 3.34Å; Y495-F500 HydrophobicContact CD1-CB 4.01Å; Y495-F500 HydrophobicContact CE1-CB 3.85Å; Y495-F500 HydrophobicContact CE1-CD2 4.25Å
496	N	96.7	Very high	94.8	Very high	50 Å²	50	56.6 Å²	56.6	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.6	172.9	-178.3	-98	0	0	0	109.4	K431 G498 K499 V501	K431-N496 VanDerWaalsContact O-CA 3.27Å; K431-N496 WeakPolarHBondContact O-CA 3.46Å; K431-N496 PolarHBondContact O-ND2 3.18Å; N496-G498 VanDerWaalsContact C-N 3.29Å; N496-G498 PolarHBondContact O-N 3.34Å; N496-K499 PolarHBondContact N-O 3.45Å; N496-K499 WeakPolarHBondContact O-CB 3.18Å; N496-K499 PolarHBondContact O-N 3.08Å; N496-V501 HydrophobicContact CB-CG2 3.62Å
497	Y	96.3	Very high	94.8	Very high	118 Å²	118	60.4 Å²	60.4	46%	0.463	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	48.6	-175	-60.6	-68.8	0	0	0	113.1	L427 K430 K431 K499	L427-Y497 CarbonylContact O-C 3.49Å; K430-Y497 VanDerWaalsContact O-CA 3.25Å; K430-Y497 WeakPolarHBondContact O-CA 3.33Å; K430-Y497 PolarHBondContact O-N 3.22Å; K431-Y497 HydrophobicContact CB-CE1 3.9Å; K431-Y497 HydrophobicContact CB-CE2 4.05Å; K431-Y497 HydrophobicContact CD-CE2 4.1Å; K431-Y497 WeakPolarHBondContact CD-OH 3.41Å; K431-Y497 HydrophobicContact CG-CD2 4.39Å; K431-Y497 HydrophobicContact CG-CE1 4.39Å; K431-Y497 HydrophobicContact CG-CE2 3.61Å; Y497-K499 VanDerWaalsContact C-N 3.26Å; Y497-K499 PolarHBondContact O-N 3.18Å
498	G	93.1	Very high	95	Very high	26 Å²	26	56.6 Å²	56.6	27%	0.268	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	1.1	179.8	0	0	0	0	0	116.1	L427 N496	L427-G498 PolarHBondContact O-N 3.49Å; N496-G498 VanDerWaalsContact C-N 3.29Å; N496-G498 PolarHBondContact O-N 3.34Å
499	K	94.8	Very high	95.2	Very high	159 Å²	159	55.8 Å²	55.8	69%	0.691	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	130.9	173	-61.4	-179.3	-180	-179.7	0	110.4	Y495 N496 Y497	Y495-K499 CarbonylContact C-O 3.59Å; Y495-K499 WeakPolarHBondContact CA-O 3.41Å; Y495-K499 WeakPolarHBondContact CB-O 3.34Å; N496-K499 PolarHBondContact N-O 3.45Å; N496-K499 WeakPolarHBondContact O-CB 3.18Å; N496-K499 PolarHBondContact O-N 3.08Å; Y497-K499 VanDerWaalsContact C-N 3.26Å; Y497-K499 PolarHBondContact O-N 3.18Å
500	F	95.8	Very high	95.2	Very high	100 Å²	100	56 Å²	56	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	142	170.9	174.6	-97.2	0	0	0	110.8	N493 Y495 K503	N493-F500 HydrophobicContact CB-CD2 4.02Å; N493-F500 HydrophobicContact CB-CE2 3.88Å; Y495-F500 HydrophobicContact CD1-CB 4.01Å; Y495-F500 HydrophobicContact CE1-CB 3.85Å; Y495-F500 HydrophobicContact CE1-CD2 4.25Å; F500-K503 HydrophobicContact CE2-CG 4.17Å; F500-K503 HydrophobicContact CZ-CG 3.92Å
501	V	95.8	Very high	95.1	Very high	74 Å²	74	59.8 Å²	59.8	45%	0.448	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-60.2	-179.6	-178.8	0	0	0	0	111	H494 N496	H494-V501 WeakPolarHBondContact ND1-CB 3.25Å; H494-V501 PolarHBondContact O-N 3.1Å; N496-V501 HydrophobicContact CB-CG2 3.62Å
502	E	93.6	Very high	95	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.7	-174.8	56.1	-169.3	158.4	0	0	111.7	H494 F516	H494-E502 HydrophobicContact CB-CG 3.99Å; H494-E502 PolarHBondContact N-O 2.94Å; E502-F516 HydrophobicContact CG-CZ 4.29Å
503	K	95	Very high	95	Very high	73 Å²	73	59.3 Å²	59.3	32%	0.317	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128	166.4	-68.7	-161.6	172.9	-177.3	0	108.1	G485 E487 F492 F500 N505	G485-K503 PolarHBondContact O-NZ 2.93Å; E487-K503 IonicContact OE2-NZ 3.75Å; F492-K503 CarbonylContact O-C 3.56Å; F500-K503 HydrophobicContact CE2-CG 4.17Å; F500-K503 HydrophobicContact CZ-CG 3.92Å; K503-N505 PolarHBondContact O-N 2.94Å
504	Y	95.6	Very high	94.9	Very high	15 Å²	15	60.5 Å²	60.5	6%	0.059	32%	0.321	C	S	.	.			trans	-79.3	105.8	176.8	176.7	-99.4	0	0	0	110.3	L434 F492 G506 D507 G512 F513 F516	L434-Y504 HydrophobicContact CD1-CG 4.25Å; F492-Y504 HydrophobicContact CB-CD1 4.02Å; F492-Y504 HydrophobicContact CB-CG 4.38Å; F492-Y504 HydrophobicContact CG-CD1 4.33Å; F492-Y504 PolarHBondContact O-N 2.98Å; Y504-G506 VanDerWaalsContact CZ-CA 3.47Å; Y504-G506 WeakPolarHBondContact OH-CA 3.43Å; Y504-D507 WeakPolarHBondContact CE1-O 3.47Å; Y504-D507 PolarHBondContact OH-N 3.07Å; Y504-D507 PolarHBondContact OH-O 2.89Å; Y504-G512 WeakPolarHBondContact OH-CA 3.28Å; Y504-G512 PolarHBondContact OH-O 2.85Å; Y504-F513 HydrophobicContact CD1-CD1 4.17Å; Y504-F513 AromaticContact CD1-CE1 3.98Å; Y504-F513 HydrophobicContact CD1-CE1 3.98Å; Y504-F513 AromaticContact CE1-CD1 3.64Å; Y504-F513 HydrophobicContact CE1-CD1 3.64Å; Y504-F513 AromaticContact CE1-CE1 3.64Å; Y504-F513 HydrophobicContact CE1-CE1 3.64Å; Y504-F516 HydrophobicContact CD2-CB 4.11Å; Y504-F516 AromaticContact CD2-CD1 3.85Å; Y504-F516 HydrophobicContact CD2-CD1 3.85Å; Y504-F516 AromaticContact CD2-CD2 3.65Å; Y504-F516 HydrophobicContact CD2-CD2 3.65Å; Y504-F516 HydrophobicContact CD2-CE1 4.16Å; Y504-F516 AromaticContact CD2-CE2 3.98Å; Y504-F516 HydrophobicContact CD2-CE2 3.98Å; Y504-F516 AromaticContact CD2-CG 3.58Å; Y504-F516 HydrophobicContact CD2-CG 3.58Å; Y504-F516 HydrophobicContact CD2-CZ 4.22Å; Y504-F516 HydrophobicContact CE2-CB 3.56Å; Y504-F516 HydrophobicContact CE2-CD1 4.18Å; Y504-F516 AromaticContact CE2-CD2 3.77Å; Y504-F516 HydrophobicContact CE2-CD2 3.77Å; Y504-F516 AromaticContact CE2-CG 3.56Å; Y504-F516 HydrophobicContact CE2-CG 3.56Å
505	N	92.7	Very high	94.8	Very high	140 Å²	140	62.1 Å²	62.1	75%	0.749	34%	0.338	S	S	*	.			trans	-107.5	17.7	-179.3	-60	-38.6	0	0	0	112.7	K503	K503-N505 PolarHBondContact O-N 2.94Å
506	G	90.8	Very high	94.8	Very high	34 Å²	34	63.4 Å²	63.4	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	-80.4	-174	177.8	0	0	0	0	0	113.3	Y504	Y504-G506 VanDerWaalsContact CZ-CA 3.47Å; Y504-G506 WeakPolarHBondContact OH-CA 3.43Å
507	D	93.2	Very high	94.7	Very high	100 Å²	100	61 Å²	61	54%	0.535	33%	0.331	S	S	.	.			trans	-55.9	141.5	174.9	172	50.6	0	0	0	112.2	Y504 G509	Y504-D507 WeakPolarHBondContact CE1-O 3.47Å; Y504-D507 PolarHBondContact OH-N 3.07Å; Y504-D507 PolarHBondContact OH-O 2.89Å; D507-G509 PolarHBondContact OD1-N 3.29Å; D507-G509 WeakPolarHBondContact OD2-CA 3.37Å; D507-G509 PolarHBondContact OD2-N 3.41Å
508	R	94	Very high	94.6	Very high	101 Å²	101	62.6 Å²	62.6	38%	0.381	34%	0.336	S	S	.	.	S	Bend	trans	-98.2	8.4	-176.1	-62.8	177.6	175.5	-158.2	-11.1	112.9	P490 F492 F513	P490-R508 PolarHBondContact O-NH1 3.13Å; P490-R508 PolarHBondContact O-NH2 3.47Å; P490-R508 VanDerWaalsContact O-NH2 3.09Å; F492-R508 HydrophobicContact CE2-CG 4.14Å; R508-F513 HydrophobicContact CB-CZ 4.24Å; R508-F513 WeakPolarHBondContact O-CE2 3.17Å
509	G	92.6	Very high	94.7	Very high	15 Å²	15	65.6 Å²	65.6	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	-84.9	174.7	165.1	0	0	0	0	0	113.1	D507 A511 G512 F513	D507-G509 PolarHBondContact OD1-N 3.29Å; D507-G509 WeakPolarHBondContact OD2-CA 3.37Å; D507-G509 PolarHBondContact OD2-N 3.41Å; G509-A511 VanDerWaalsContact C-N 3.34Å; G509-A511 PolarHBondContact O-N 3.35Å; G509-G512 PolarHBondContact O-N 3.25Å; G509-F513 WeakPolarHBondContact O-CD2 3.49Å; G509-F513 PolarHBondContact O-N 3.32Å
510	E	92.3	Very high	94.6	Very high	72 Å²	72	58.5 Å²	58.5	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-43.4	-176.9	-73.1	162.6	-157.6	0	0	112.5	H451 T454 G512 F513 I514	H451-E510 HydrophobicContact CB-CG 3.7Å; H451-E510 IonicContact CE1-OE1 2.65Å; H451-E510 IonicContact CG-OE1 2.66Å; H451-E510 IonicContact ND1-OE1 3.62Å; H451-E510 PolarHBondContact ND1-OE1 3.06Å; T454-E510 HydrophobicContact CG2-CG 4.14Å; T454-E510 PolarHBondContact OG1-OE1 3.2Å; E510-G512 VanDerWaalsContact C-N 3.31Å; E510-G512 PolarHBondContact O-N 2.69Å; E510-F513 PolarHBondContact O-N 2.93Å; E510-I514 HydrophobicContact CB-CD1 4.21Å; E510-I514 VanDerWaalsContact O-CB 3.24Å; E510-I514 WeakPolarHBondContact O-CB 3.4Å; E510-I514 WeakPolarHBondContact O-CD1 3.45Å; E510-I514 WeakPolarHBondContact O-CG1 3.4Å; E510-I514 PolarHBondContact O-N 3.46Å
511	A	94.4	Very high	94.3	Very high	81 Å²	81	58.7 Å²	58.7	67%	0.669	31%	0.313	S	S	*	.	H	α-helix	trans	-60.4	-40	179.4	0	0	0	0	0	112.2	G509 G515	G509-A511 VanDerWaalsContact C-N 3.34Å; G509-A511 PolarHBondContact O-N 3.35Å; A511-G515 WeakPolarHBondContact O-CA 3.37Å; A511-G515 PolarHBondContact O-N 3.05Å
512	G	96.2	Very high	93.9	Very high	13 Å²	13	56.3 Å²	56.3	13%	0.134	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-55.6	175.5	0	0	0	0	0	112.5	Y504 G509 E510 I514 G515 F516	Y504-G512 WeakPolarHBondContact OH-CA 3.28Å; Y504-G512 PolarHBondContact OH-O 2.85Å; G509-G512 PolarHBondContact O-N 3.25Å; E510-G512 VanDerWaalsContact C-N 3.31Å; E510-G512 PolarHBondContact O-N 2.69Å; G512-I514 PolarHBondContact O-N 2.68Å; G512-G515 PolarHBondContact O-N 2.72Å; G512-F516 WeakPolarHBondContact O-CB 3.34Å; G512-F516 PolarHBondContact O-N 2.93Å
513	F	97.6	Very high	93.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-41.9	-179.3	-67	-46.3	0	0	0	112.9	L434 H451 F452 A455 Y467 F492 Y504 R508 G509 E510 M517	L434-F513 HydrophobicContact CD2-CD1 3.87Å; L434-F513 HydrophobicContact CD2-CE1 4.49Å; H451-F513 HydrophobicContact CB-CD2 4.28Å; H451-F513 HydrophobicContact CB-CE2 4.15Å; F452-F513 HydrophobicContact CB-CD2 4.42Å; F452-F513 HydrophobicContact CB-CE2 4.07Å; F452-F513 HydrophobicContact CD2-CD1 4.15Å; F452-F513 HydrophobicContact CD2-CD2 4.21Å; F452-F513 AromaticContact CD2-CE1 3.96Å; F452-F513 HydrophobicContact CD2-CE1 3.96Å; F452-F513 HydrophobicContact CD2-CE2 4.02Å; F452-F513 HydrophobicContact CD2-CG 4.29Å; F452-F513 AromaticContact CD2-CZ 3.9Å; F452-F513 HydrophobicContact CD2-CZ 3.9Å; F452-F513 HydrophobicContact CE2-CE1 4.43Å; A455-F513 HydrophobicContact CB-CB 3.71Å; Y467-F513 HydrophobicContact CE1-CB 4.22Å; Y467-F513 PolarHBondContact OH-O 3.23Å; F492-F513 AromaticContact CD1-CE1 3.92Å; F492-F513 HydrophobicContact CD1-CE1 3.92Å; F492-F513 HydrophobicContact CD1-CZ 4.29Å; F492-F513 HydrophobicContact CD2-CE1 4.42Å; F492-F513 AromaticContact CE1-CE1 3.72Å; F492-F513 HydrophobicContact CE1-CE1 3.72Å; F492-F513 AromaticContact CE1-CZ 3.62Å; F492-F513 HydrophobicContact CE1-CZ 3.62Å; F492-F513 HydrophobicContact CE2-CE1 4.27Å; F492-F513 HydrophobicContact CE2-CZ 4.1Å; F492-F513 HydrophobicContact CG-CE1 4.27Å; F492-F513 AromaticContact CZ-CE1 3.93Å; F492-F513 HydrophobicContact CZ-CE1 3.93Å; F492-F513 AromaticContact CZ-CZ 3.53Å; F492-F513 HydrophobicContact CZ-CZ 3.53Å; Y504-F513 HydrophobicContact CD1-CD1 4.17Å; Y504-F513 AromaticContact CD1-CE1 3.98Å; Y504-F513 HydrophobicContact CD1-CE1 3.98Å; Y504-F513 AromaticContact CE1-CD1 3.64Å; Y504-F513 HydrophobicContact CE1-CD1 3.64Å; Y504-F513 AromaticContact CE1-CE1 3.64Å; Y504-F513 HydrophobicContact CE1-CE1 3.64Å; R508-F513 HydrophobicContact CB-CZ 4.24Å; R508-F513 WeakPolarHBondContact O-CE2 3.17Å; G509-F513 WeakPolarHBondContact O-CD2 3.49Å; G509-F513 PolarHBondContact O-N 3.32Å; E510-F513 PolarHBondContact O-N 2.93Å; F513-M517 PolarHBondContact O-N 2.69Å
514	I	96.8	Very high	93.3	Very high	24 Å²	24	55.4 Å²	55.4	12%	0.123	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-42.8	179.5	-66.4	165.7	0	0	0	110.6	A455 L458 F459 E510 G512 F516 M517 R518	A455-I514 HydrophobicContact CB-CG1 3.84Å; L458-I514 HydrophobicContact CD2-CB 4.4Å; L458-I514 HydrophobicContact CD2-CD1 3.71Å; L458-I514 HydrophobicContact CD2-CG1 3.88Å; L458-I514 HydrophobicContact CD2-CG2 3.6Å; F459-I514 HydrophobicContact CE2-CG2 4.32Å; E510-I514 HydrophobicContact CB-CD1 4.21Å; E510-I514 VanDerWaalsContact O-CB 3.24Å; E510-I514 WeakPolarHBondContact O-CB 3.4Å; E510-I514 WeakPolarHBondContact O-CD1 3.45Å; E510-I514 WeakPolarHBondContact O-CG1 3.4Å; E510-I514 PolarHBondContact O-N 3.46Å; G512-I514 PolarHBondContact O-N 2.68Å; I514-F516 PolarHBondContact O-N 2.9Å; I514-M517 PolarHBondContact O-N 2.96Å; I514-R518 HydrophobicContact CG2-CG 4.27Å; I514-R518 WeakPolarHBondContact O-CB 3.34Å; I514-R518 WeakPolarHBondContact O-CG 3.5Å; I514-R518 PolarHBondContact O-N 2.81Å
515	G	96.3	Very high	92.7	Very high	36 Å²	36	61 Å²	61	37%	0.371	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-43.7	179.2	0	0	0	0	0	112.7	A511 G512 R518 N519	A511-G515 WeakPolarHBondContact O-CA 3.37Å; A511-G515 PolarHBondContact O-N 3.05Å; G512-G515 PolarHBondContact O-N 2.72Å; G515-R518 PolarHBondContact O-N 3.28Å; G515-N519 WeakPolarHBondContact O-CB 3.26Å; G515-N519 PolarHBondContact O-N 3.47Å
516	F	96.4	Very high	92.2	Very high	29 Å²	29	59.9 Å²	59.9	13%	0.127	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-49.2	175.7	179.5	-109.1	0	0	0	112.4	L434 H494 E502 Y504 G512 I514 N519 L520	L434-F516 HydrophobicContact CD1-CD1 4.47Å; L434-F516 HydrophobicContact CD1-CE1 4.12Å; L434-F516 HydrophobicContact CD2-CD1 4.46Å; H494-F516 HydrophobicContact CB-CE1 4.04Å; H494-F516 HydrophobicContact CB-CZ 3.89Å; H494-F516 AromaticContact CD2-CE1 3.96Å; H494-F516 AromaticContact CG-CZ 3.94Å; E502-F516 HydrophobicContact CG-CZ 4.29Å; Y504-F516 HydrophobicContact CD2-CB 4.11Å; Y504-F516 AromaticContact CD2-CD1 3.85Å; Y504-F516 HydrophobicContact CD2-CD1 3.85Å; Y504-F516 AromaticContact CD2-CD2 3.65Å; Y504-F516 HydrophobicContact CD2-CD2 3.65Å; Y504-F516 HydrophobicContact CD2-CE1 4.16Å; Y504-F516 AromaticContact CD2-CE2 3.98Å; Y504-F516 HydrophobicContact CD2-CE2 3.98Å; Y504-F516 AromaticContact CD2-CG 3.58Å; Y504-F516 HydrophobicContact CD2-CG 3.58Å; Y504-F516 HydrophobicContact CD2-CZ 4.22Å; Y504-F516 HydrophobicContact CE2-CB 3.56Å; Y504-F516 HydrophobicContact CE2-CD1 4.18Å; Y504-F516 AromaticContact CE2-CD2 3.77Å; Y504-F516 HydrophobicContact CE2-CD2 3.77Å; Y504-F516 AromaticContact CE2-CG 3.56Å; Y504-F516 HydrophobicContact CE2-CG 3.56Å; G512-F516 WeakPolarHBondContact O-CB 3.34Å; G512-F516 PolarHBondContact O-N 2.93Å; I514-F516 PolarHBondContact O-N 2.9Å; F516-N519 WeakPolarHBondContact O-CB 3.45Å; F516-N519 PolarHBondContact O-N 3.38Å; F516-L520 HydrophobicContact CD1-CD1 3.93Å; F516-L520 HydrophobicContact CE1-CD1 3.49Å; F516-L520 VanDerWaalsContact CE1-CD1 3.49Å; F516-L520 HydrophobicContact CE2-CD1 4.38Å; F516-L520 HydrophobicContact CZ-CD1 3.75Å; F516-L520 HydrophobicContact CZ-CG 4.48Å; F516-L520 PolarHBondContact O-N 3.02Å
517	M	95.2	Very high	91.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-32.9	-178.3	-164.6	66.8	74.9	0	0	112.6	H432 L434 F459 I465 Y467 F513 I514 L520 R521	H432-M517 HydrophobicContact CB-SD 3.79Å; L434-M517 HydrophobicContact CB-CE 3.81Å; F459-M517 HydrophobicContact CD1-CG 4.16Å; F459-M517 HydrophobicContact CD2-CB 4.41Å; F459-M517 HydrophobicContact CD2-CG 4.17Å; F459-M517 HydrophobicContact CE1-CB 4.3Å; F459-M517 HydrophobicContact CE1-CG 3.9Å; F459-M517 HydrophobicContact CE2-CB 3.75Å; F459-M517 HydrophobicContact CE2-CG 3.92Å; F459-M517 HydrophobicContact CG-CG 4.28Å; F459-M517 HydrophobicContact CZ-CB 3.67Å; F459-M517 HydrophobicContact CZ-CG 3.76Å; I465-M517 HydrophobicContact CD1-CG 3.98Å; I465-M517 HydrophobicContact CD1-SD 4.23Å; I465-M517 HydrophobicContact CG1-SD 4.31Å; I465-M517 HydrophobicContact CG2-CE 3.88Å; I465-M517 HydrophobicContact CG2-CG 3.85Å; I465-M517 HydrophobicContact CG2-SD 3.68Å; Y467-M517 HydrophobicContact CD2-CE 4.33Å; Y467-M517 HydrophobicContact CE2-CB 4.45Å; Y467-M517 HydrophobicContact CE2-CE 3.72Å; Y467-M517 HydrophobicContact CE2-CG 4.13Å; Y467-M517 WeakPolarHBondContact OH-CB 3.37Å; F513-M517 PolarHBondContact O-N 2.69Å; I514-M517 PolarHBondContact O-N 2.96Å; M517-L520 HydrophobicContact SD-CD1 4.11Å; M517-R521 WeakPolarHBondContact O-CG 3.46Å; M517-R521 PolarHBondContact O-N 3.37Å
518	R	95.1	Very high	91	Very high	152 Å²	152	64.3 Å²	64.3	57%	0.574	33%	0.326	S	S	*	.	H	α-helix	trans	-63	-44.2	169.4	-74.3	-179.8	179.3	168.1	-0.7	111.9	F459 I514 G515 L520 R521 G522	F459-R518 HydrophobicContact CZ-CG 4.01Å; I514-R518 HydrophobicContact CG2-CG 4.27Å; I514-R518 WeakPolarHBondContact O-CB 3.34Å; I514-R518 WeakPolarHBondContact O-CG 3.5Å; I514-R518 PolarHBondContact O-N 2.81Å; G515-R518 PolarHBondContact O-N 3.28Å; R518-L520 PolarHBondContact O-N 3.04Å; R518-R521 PolarHBondContact O-N 2.69Å; R518-G522 PolarHBondContact O-N 3.21Å
519	N	94.1	Very high	90.2	Very high	88 Å²	88	63.2 Å²	63.2	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-42.8	177.8	177.2	-68.9	0	0	0	111.9	G515 F516 R521 G522 R523	G515-N519 WeakPolarHBondContact O-CB 3.26Å; G515-N519 PolarHBondContact O-N 3.47Å; F516-N519 WeakPolarHBondContact O-CB 3.45Å; F516-N519 PolarHBondContact O-N 3.38Å; N519-R521 PolarHBondContact O-N 3.34Å; N519-G522 PolarHBondContact O-N 2.91Å; N519-R523 PolarHBondContact O-N 3.36Å; N519-R523 VanDerWaalsContact OD1-CZ 3.27Å; N519-R523 PolarHBondContact OD1-NE 2.85Å; N519-R523 PolarHBondContact OD1-NH2 3.48Å
520	L	92.9	Very high	89.2	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-58.3	-44.3	173.6	-76.6	164.1	0	0	0	112.3	H494 F516 M517 R518 G522 D524	H494-L520 VanDerWaalsContact NE2-CD1 3.27Å; H494-L520 WeakPolarHBondContact NE2-CD1 3.48Å; F516-L520 HydrophobicContact CD1-CD1 3.93Å; F516-L520 HydrophobicContact CE1-CD1 3.49Å; F516-L520 VanDerWaalsContact CE1-CD1 3.49Å; F516-L520 HydrophobicContact CE2-CD1 4.38Å; F516-L520 HydrophobicContact CZ-CD1 3.75Å; F516-L520 HydrophobicContact CZ-CG 4.48Å; F516-L520 PolarHBondContact O-N 3.02Å; M517-L520 HydrophobicContact SD-CD1 4.11Å; R518-L520 PolarHBondContact O-N 3.04Å; L520-G522 PolarHBondContact O-N 2.82Å; L520-D524 WeakPolarHBondContact O-CB 3.18Å; L520-D524 PolarHBondContact O-N 3.26Å; L520-D524 VanDerWaalsContact O-N 3.11Å
521	R	89.3	Confident	88.2	Confident	103 Å²	103	73.2 Å²	73.2	39%	0.389	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-38.5	175.7	-68.4	176	97.6	-148.4	4.9	113.1	D462 I465 M517 R518 N519 D524 Q525	D462-R521 IonicContact OD2-CZ 2.63Å; D462-R521 IonicContact OD2-NE 3.17Å; D462-R521 PolarHBondContact OD2-NE 3.29Å; D462-R521 IonicContact OD2-NH2 2.75Å; D462-R521 PolarHBondContact OD2-NH2 3.37Å; I465-R521 VanDerWaalsContact CD1-CD 3.44Å; I465-R521 HydrophobicContact CD1-CG 3.67Å; M517-R521 WeakPolarHBondContact O-CG 3.46Å; M517-R521 PolarHBondContact O-N 3.37Å; R518-R521 PolarHBondContact O-N 2.69Å; N519-R521 PolarHBondContact O-N 3.34Å; R521-D524 VanDerWaalsContact O-CB 3.26Å; R521-D524 WeakPolarHBondContact O-CB 3.39Å; R521-D524 PolarHBondContact O-N 3.27Å; R521-Q525 WeakPolarHBondContact O-CG 3.3Å; R521-Q525 PolarHBondContact O-N 3.03Å
522	G	88.1	Confident	87	Confident	24 Å²	24	77 Å²	77	25%	0.247	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-53.7	176.3	0	0	0	0	0	112.2	R518 N519 L520 D524 Q525 E526	R518-G522 PolarHBondContact O-N 3.21Å; N519-G522 PolarHBondContact O-N 2.91Å; L520-G522 PolarHBondContact O-N 2.82Å; G522-D524 PolarHBondContact O-N 3.28Å; G522-Q525 PolarHBondContact O-N 3.42Å; G522-E526 PolarHBondContact O-N 3.22Å
523	R	88	Confident	85.9	Confident	97 Å²	97	83.2 Å²	83.2	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-55.7	-26.2	174.5	-73	-170.4	-80.5	162.6	-5.7	113	N519 K527	N519-R523 PolarHBondContact O-N 3.36Å; N519-R523 VanDerWaalsContact OD1-CZ 3.27Å; N519-R523 PolarHBondContact OD1-NE 2.85Å; N519-R523 PolarHBondContact OD1-NH2 3.48Å; R523-K527 WeakPolarHBondContact O-CD 3.46Å; R523-K527 VanDerWaalsContact O-CG 3.27Å; R523-K527 WeakPolarHBondContact O-CG 3.45Å
524	D	87.5	Confident	84.4	Confident	29 Å²	29	90.5 Å²	90.5	16%	0.155	43%	0.425	C	S	.	.	H	α-helix	trans	-77.3	-40.4	175.9	-113	6.6	0	0	0	113.6	K431 H432 L520 R521 G522 V528	K431-D524 WeakPolarHBondContact CD-OD2 3.43Å; K431-D524 WeakPolarHBondContact CE-OD1 3.22Å; K431-D524 WeakPolarHBondContact CE-OD2 3.5Å; K431-D524 IonicContact NZ-OD1 3.94Å; K431-D524 PolarHBondContact NZ-OD1 3.28Å; K431-D524 IonicContact NZ-OD2 2.65Å; K431-D524 PolarHBondContact NZ-OD2 3.01Å; H432-D524 IonicContact NE2-OD1 2.7Å; H432-D524 IonicContact NE2-OD2 2.69Å; H432-D524 PolarHBondContact NE2-OD2 3.37Å; L520-D524 WeakPolarHBondContact O-CB 3.18Å; L520-D524 PolarHBondContact O-N 3.26Å; L520-D524 VanDerWaalsContact O-N 3.11Å; R521-D524 VanDerWaalsContact O-CB 3.26Å; R521-D524 WeakPolarHBondContact O-CB 3.39Å; R521-D524 PolarHBondContact O-N 3.27Å; G522-D524 PolarHBondContact O-N 3.28Å; D524-V528 WeakPolarHBondContact O-CG2 3.3Å; D524-V528 PolarHBondContact O-N 3.45Å
525	Q	83.1	Confident	82.6	Confident	132 Å²	132	98.4 Å²	98.4	62%	0.617	47%	0.466	S	S	*	.	H	α-helix	trans	-68.9	-45.6	177.6	-73.7	173.9	-27.2	0	0	110.9	R521 G522 K527 V528 V529	R521-Q525 WeakPolarHBondContact O-CG 3.3Å; R521-Q525 PolarHBondContact O-N 3.03Å; G522-Q525 PolarHBondContact O-N 3.42Å; Q525-K527 VanDerWaalsContact C-N 3.29Å; Q525-K527 PolarHBondContact O-N 3.21Å; Q525-V528 PolarHBondContact O-N 2.85Å; Q525-V529 PolarHBondContact O-N 3.1Å
526	E	82.9	Confident	81.9	Confident	116 Å²	116	101.5 Å²	101.5	54%	0.542	47%	0.471	S	S	.	.	H	α-helix	trans	-53.4	-43.7	175.4	-69.7	168.1	-158.8	0	0	112.6	G522 V528 V529 K530	G522-E526 PolarHBondContact O-N 3.22Å; E526-V528 VanDerWaalsContact C-N 3.29Å; E526-V528 PolarHBondContact O-N 3.01Å; E526-V529 PolarHBondContact O-N 2.57Å; E526-K530 PolarHBondContact O-N 2.67Å
527	K	78.5	Confident	81.1	Confident	143 Å²	143	105.3 Å²	105.3	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-67.5	-27.3	177.8	-74	172.4	-175.6	174.6	0	113.4	R523 Q525 R531	R523-K527 WeakPolarHBondContact O-CD 3.46Å; R523-K527 VanDerWaalsContact O-CG 3.27Å; R523-K527 WeakPolarHBondContact O-CG 3.45Å; Q525-K527 VanDerWaalsContact C-N 3.29Å; Q525-K527 PolarHBondContact O-N 3.21Å; K527-R531 VanDerWaalsContact O-CB 3.28Å; K527-R531 WeakPolarHBondContact O-CB 3.3Å; K527-R531 PolarHBondContact O-N 3.14Å
528	V	78.9	Confident	80.3	Confident	85 Å²	85	111.2 Å²	111.2	52%	0.515	52%	0.516	S	S	.	.	H	α-helix	trans	-80.1	-32.5	174.8	172	0	0	0	0	111.2	D524 Q525 E526 K532	D524-V528 WeakPolarHBondContact O-CG2 3.3Å; D524-V528 PolarHBondContact O-N 3.45Å; Q525-V528 PolarHBondContact O-N 2.85Å; E526-V528 VanDerWaalsContact C-N 3.29Å; E526-V528 PolarHBondContact O-N 3.01Å; V528-K532 WeakPolarHBondContact O-CG 3.33Å; V528-K532 PolarHBondContact O-N 2.92Å
529	V	78.4	Confident	79.5	Confident	78 Å²	78	108.8 Å²	108.8	47%	0.473	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-55.8	173	174.7	0	0	0	0	110.3	Q525 E526 R531 K532 E533	Q525-V529 PolarHBondContact O-N 3.1Å; E526-V529 PolarHBondContact O-N 2.57Å; V529-R531 VanDerWaalsContact C-N 3.3Å; V529-R531 PolarHBondContact O-N 2.88Å; V529-K532 CarbonylContact O-C 3.54Å; V529-K532 WeakPolarHBondContact O-CA 3.44Å; V529-K532 WeakPolarHBondContact O-CB 3.28Å; V529-K532 PolarHBondContact O-N 3.01Å; V529-E533 HydrophobicContact CG1-CG 4.49Å; V529-E533 WeakPolarHBondContact CG1-OE1 3.42Å; V529-E533 PolarHBondContact O-N 2.96Å; V529-E533 VanDerWaalsContact O-N 3.14Å
530	K	71.3	Confident	78.5	Confident	126 Å²	126	110.1 Å²	110.1	55%	0.548	52%	0.516	S	S	.	.	H	α-helix	trans	-56.5	-42.3	-179.8	-68.9	-174.9	178.1	-175.2	0	113	E526 K532 E533 E534	E526-K530 PolarHBondContact O-N 2.67Å; K530-K532 PolarHBondContact O-N 2.63Å; K530-E533 WeakPolarHBondContact CA-OE2 3.43Å; K530-E533 CarbonylContact O-C 3.06Å; K530-E533 WeakPolarHBondContact O-CA 3.44Å; K530-E533 WeakPolarHBondContact O-CB 3.4Å; K530-E533 PolarHBondContact O-N 3.21Å; K530-E534 VanDerWaalsContact O-CG 3.3Å; K530-E534 WeakPolarHBondContact O-CG 3.35Å; K530-E534 PolarHBondContact O-N 3.46Å
531	R	71.8	Confident	77.6	Confident	171 Å²	171	116.7 Å²	116.7	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-69.3	-11.7	176.8	-164.7	172.5	179.1	-155.8	-2.9	114.1	K527 V529 L535	K527-R531 VanDerWaalsContact O-CB 3.28Å; K527-R531 WeakPolarHBondContact O-CB 3.3Å; K527-R531 PolarHBondContact O-N 3.14Å; V529-R531 VanDerWaalsContact C-N 3.3Å; V529-R531 PolarHBondContact O-N 2.88Å; R531-L535 HydrophobicContact CG-CD1 4.43Å; R531-L535 VanDerWaalsContact O-CD1 3.28Å; R531-L535 WeakPolarHBondContact O-CD1 3.42Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.3Å
532	K	68.8	Low	76.8	Confident	160 Å²	160	117.6 Å²	117.6	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-93.3	-14.1	167.8	-79.3	-176.4	167.6	-163	0	113.4	V528 V529 K530	V528-K532 WeakPolarHBondContact O-CG 3.33Å; V528-K532 PolarHBondContact O-N 2.92Å; V529-K532 CarbonylContact O-C 3.54Å; V529-K532 WeakPolarHBondContact O-CA 3.44Å; V529-K532 WeakPolarHBondContact O-CB 3.28Å; V529-K532 PolarHBondContact O-N 3.01Å; K530-K532 PolarHBondContact O-N 2.63Å
533	E	73.3	Confident	75.9	Confident	143 Å²	143	124.8 Å²	124.8	67%	0.668	58%	0.581	S	S	*	*	H	α-helix	trans	-91.3	-21.7	173.3	-63	165.2	154.1	0	0	110.8	V529 K530	V529-E533 HydrophobicContact CG1-CG 4.49Å; V529-E533 WeakPolarHBondContact CG1-OE1 3.42Å; V529-E533 PolarHBondContact O-N 2.96Å; V529-E533 VanDerWaalsContact O-N 3.14Å; K530-E533 WeakPolarHBondContact CA-OE2 3.43Å; K530-E533 CarbonylContact O-C 3.06Å; K530-E533 WeakPolarHBondContact O-CA 3.44Å; K530-E533 WeakPolarHBondContact O-CB 3.4Å; K530-E533 PolarHBondContact O-N 3.21Å
534	E	65.6	Low	74.9	Confident	154 Å²	154	127.2 Å²	127.2	72%	0.72	60%	0.599	S	S	*	*			trans	-89.4	0.4	174.7	-68	168.5	171.6	0	0	114.4	K530	K530-E534 VanDerWaalsContact O-CG 3.3Å; K530-E534 WeakPolarHBondContact O-CG 3.35Å; K530-E534 PolarHBondContact O-N 3.46Å
535	L	58.5	Low	73.7	Confident	189 Å²	189	136.1 Å²	136.1	99%	0.99	64%	0.64	S	S	*	*			trans	-126.1	0	-174.8	-79.4	-179.5	0	0	0	112.7	R531	R531-L535 HydrophobicContact CG-CD1 4.43Å; R531-L535 VanDerWaalsContact O-CD1 3.28Å; R531-L535 WeakPolarHBondContact O-CD1 3.42Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.3Å

Retrieved 535 of 535 residues in 162.1 ms (Link to these results)

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