A0A075BTL2_HUMAN Loading...

Endoplasmic reticulum aminopeptidase 1 delta-Exon-11 isoform

AlphaFold DB , UniProt , Accession A0A075BTL2, Species HUMAN (Homo sapiens, Human), Gene ERAP1, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	34.2	Very low	237 Å²	237	161.3 Å²	161.3	100%	1.167	83%	0.834	S	S	*	*				0	111.8	0	-78.4	172.9	163.2	0	0	106.5
2	V	32.7	Very low	34.6	Very low	143 Å²	143	159.8 Å²	159.8	87%	0.867	84%	0.838	S	S	*	*			cis	-139.2	133.4	7.5	163.9	0	0	0	0	106.6
3	F	26.1	Very low	35.2	Very low	184 Å²	184	160.4 Å²	160.4	81%	0.807	84%	0.837	S	S	*	*			trans	-79.9	143.1	171.2	-87	-106.9	0	0	0	109.8
4	L	28.7	Very low	35.5	Very low	163 Å²	163	155.9 Å²	155.9	85%	0.853	83%	0.826	S	S	*	*				177.1	141.5	106.1	-104.9	126.7	0	0	0	112.1
5	P	39.3	Very low	35.6	Very low	104 Å²	104	159.1 Å²	159.1	68%	0.675	83%	0.831	S	S	*	*			trans	-102.4	155.1	-178.2	38	-28.7	0	0	0	112.3
6	L	30.5	Very low	35.6	Very low	169 Å²	169	158.3 Å²	158.3	89%	0.885	83%	0.827	S	S	*	*			trans	-117	109.4	164.8	-110.3	81.4	0	0	0	110.7
7	K	38.7	Very low	35.7	Very low	193 Å²	193	158.6 Å²	158.6	84%	0.839	83%	0.828	S	S	*	*			trans	-76.6	-163.9	148.6	-90.5	-178.1	172.3	-179.6	0	108.8
8	W	31.1	Very low	35.8	Very low	243 Å²	243	156.6 Å²	156.6	92%	0.92	83%	0.83	S	S	*	*			trans	95.1	135.9	-176	-60.7	79.9	0	0	0	112.6
9	S	34.8	Very low	35.8	Very low	83 Å²	83	153.5 Å²	153.5	58%	0.58	82%	0.822	S	S	*	*			cis	-174.7	152.7	-12.5	171.9	0	0	0	0	106.1	A11	S9-A11 PolarHBondContact O-N 3.18Å
10	L	39.9	Very low	35.7	Very low	173 Å²	173	152.9 Å²	152.9	91%	0.906	82%	0.818	S	S	*	*	S	Bend	trans	-67.8	49.1	-177.9	-92.1	118.1	0	0	0	114.9
11	A	40.4	Very low	35.6	Very low	82 Å²	82	153.5 Å²	153.5	68%	0.678	82%	0.821	S	S	*	*			trans	-143.4	49.1	-179.3	0	0	0	0	0	113.3	S9	S9-A11 PolarHBondContact O-N 3.18Å
12	T	39.8	Very low	35.8	Very low	143 Å²	143	146.6 Å²	146.6	88%	0.877	80%	0.801	S	S	*	*			trans	-130.6	31.8	159.5	49.5	0	0	0	0	111.3
13	M	41.8	Very low	35.9	Very low	168 Å²	168	147.8 Å²	147.8	83%	0.828	80%	0.802	S	S	*	*			trans	-86.2	97.7	160.8	-86.3	176.4	71	0	0	109
14	S	40.2	Very low	36.3	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	80%	0.799	S	S	*	*	S	Bend	trans	173.6	-0.9	147.2	-90.5	0	0	0	0	116.6
15	F	36	Very low	36.5	Very low	203 Å²	203	144.5 Å²	144.5	89%	0.89	80%	0.797	S	S	*	*	S	Bend	trans	-118.2	31.8	-177.2	-92.6	-80.6	0	0	0	115.5
16	L	35.4	Very low	36.3	Very low	147 Å²	147	145 Å²	145	77%	0.77	80%	0.798	S	S	*	*	S	Bend	trans	-136.3	32.4	173.2	-86.4	162.8	0	0	0	112.2
17	L	38.6	Very low	36.4	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	79%	0.791	S	S	*	*	S	Bend	trans	-115.1	13.2	-176.5	-117.9	103.4	0	0	0	115.8
18	S	36.1	Very low	36	Very low	122 Å²	122	138 Å²	138	85%	0.853	78%	0.783	S	S	*	*	S	Bend	trans	-131.5	9.6	-179.8	48.2	0	0	0	0	115.8
19	S	36.1	Very low	36.1	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	77%	0.77	S	S	*	*	S	Bend	trans	-120.6	18.3	172.5	49.1	0	0	0	0	113.6
20	L	33.8	Very low	35.8	Very low	142 Å²	142	132 Å²	132	74%	0.743	78%	0.777	S	S	*	*	S	Bend	trans	-113.4	29.8	-178.6	-138.3	94.4	0	0	0	113.5
21	L	34.9	Very low	35.3	Very low	166 Å²	166	135 Å²	135	87%	0.869	78%	0.776	S	S	*	*	S	Bend	trans	-129.3	25.7	-178.9	-126.4	91.6	0	0	0	114.7
22	A	37.5	Very low	34.8	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	78%	0.778	S	S	*	*	S	Bend	trans	-132.7	18.3	179	0	0	0	0	0	115.3
23	L	33.9	Very low	34.4	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	78%	0.775	S	S	*	*			trans	-143.7	39.4	174.6	-93.8	126	0	0	0	112.5
24	L	34.6	Very low	34	Very low	142 Å²	142	134.5 Å²	134.5	74%	0.743	77%	0.77	S	S	*	*			trans	-114.3	65.3	167.6	-83.5	160.6	0	0	0	109.6	V26	L24-V26 HydrophobicContact CD2-CG2 4.45Å
25	T	33.2	Very low	33.7	Very low	135 Å²	135	135.3 Å²	135.3	83%	0.828	77%	0.771	S	S	*	*			trans	-119.5	82.3	146	45.3	0	0	0	0	106	S27	T25-S27 PolarHBondContact O-N 3.4Å
26	V	34.8	Very low	33.8	Very low	114 Å²	114	132.6 Å²	132.6	69%	0.691	76%	0.761	S	S	*	*			trans	-64.9	93.6	164	176.1	0	0	0	0	105.4	L24 T28	L24-V26 HydrophobicContact CD2-CG2 4.45Å; V26-T28 PolarHBondContact O-N 3.07Å
27	S	32.9	Very low	34.1	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	76%	0.756	S	S	*	*			trans	-56.9	101.5	151.4	51.3	0	0	0	0	105.7	T25 P29	T25-S27 PolarHBondContact O-N 3.4Å; S27-P29 WeakPolarHBondContact O-CD 3.24Å; S27-P29 VanDerWaalsContact O-N 3.09Å
28	T	30.6	Very low	34.4	Very low	112 Å²	112	124.4 Å²	124.4	69%	0.687	73%	0.734	S	S	*	*			trans	-45.7	119	160.3	47.3	0	0	0	0	106.3	V26 S30	V26-T28 PolarHBondContact O-N 3.07Å; T28-S30 VanDerWaalsContact C-N 3.27Å; T28-S30 PolarHBondContact O-N 3.12Å
29	P	32.9	Very low	34.9	Very low	99 Å²	99	120.4 Å²	120.4	64%	0.643	71%	0.706	S	S	*	*			trans	-62.1	108.8	161.3	-0.3	14.4	0	0	0	103.2	S27 W31	S27-P29 WeakPolarHBondContact O-CD 3.24Å; S27-P29 VanDerWaalsContact O-N 3.09Å; P29-W31 PolarHBondContact O-N 2.94Å
30	S	29.2	Very low	35.2	Very low	102 Å²	102	123.3 Å²	123.3	71%	0.713	71%	0.706	S	S	*	*			trans	-57.7	97.5	155.7	62.1	0	0	0	0	103.4	T28 C32	T28-S30 VanDerWaalsContact C-N 3.27Å; T28-S30 PolarHBondContact O-N 3.12Å; S30-C32 PolarHBondContact O-N 3.03Å
31	W	28.9	Very low	36.1	Very low	234 Å²	234	123.3 Å²	123.3	89%	0.886	70%	0.696	S	S	*	*			trans	-56.2	93.2	151.9	-82.1	72.5	0	0	0	103	P29 Q33	P29-W31 PolarHBondContact O-N 2.94Å; W31-Q33 VanDerWaalsContact C-N 3.25Å; W31-Q33 PolarHBondContact O-N 3.28Å
32	C	29	Very low	36.7	Very low	109 Å²	109	121.6 Å²	121.6	74%	0.736	70%	0.698	S	S	*	*			trans	-51.4	108.1	164.5	-149.2	0	0	0	0	102.2	S30 S34	S30-C32 PolarHBondContact O-N 3.03Å; C32-S34 PolarHBondContact O-N 2.72Å
33	Q	31.7	Very low	37.5	Very low	171 Å²	171	121.3 Å²	121.3	80%	0.799	68%	0.684	S	S	*	*			trans	-52.3	99.9	158.3	-78.6	171.9	-23.4	0	0	103.3	W31 T35	W31-Q33 VanDerWaalsContact C-N 3.25Å; W31-Q33 PolarHBondContact O-N 3.28Å; Q33-T35 PolarHBondContact O-N 3Å
34	S	33.1	Very low	38.8	Very low	103 Å²	103	115.1 Å²	115.1	72%	0.72	66%	0.661	S	S	*	*			trans	-62.1	82.8	155	55.9	0	0	0	0	104	C32 E36	C32-S34 PolarHBondContact O-N 2.72Å; S34-E36 PolarHBondContact O-N 2.77Å
35	T	33.8	Very low	40.8	Very low	115 Å²	115	111.2 Å²	111.2	71%	0.706	64%	0.643	S	S	*	*			trans	-51.1	104.3	149	36.3	0	0	0	0	102.6	Q33 A37	Q33-T35 PolarHBondContact O-N 3Å; T35-A37 PolarHBondContact O-N 3.31Å
36	E	39.1	Very low	43.4	Very low	146 Å²	146	108 Å²	108	68%	0.682	62%	0.624	S	S	*	*			trans	-52.1	103	167.7	-79.9	-179.1	151	0	0	104.7	S34 S38	S34-E36 PolarHBondContact O-N 2.77Å; E36-S38 PolarHBondContact O-N 2.86Å
37	A	41	Very low	46.3	Very low	82 Å²	82	102.9 Å²	102.9	68%	0.678	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.1	-177.6	0	0	0	0	0	105.7	T35 P39	T35-A37 PolarHBondContact O-N 3.31Å; A37-P39 VanDerWaalsContact O-N 3.09Å
38	S	44.9	Very low	49.3	Very low	56 Å²	56	101 Å²	101	39%	0.392	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-46.6	123.8	177	-59.1	0	0	0	0	108.3	E36 K40	E36-S38 PolarHBondContact O-N 2.86Å; S38-K40 PolarHBondContact O-N 2.86Å; S38-K40 VanDerWaalsContact O-N 3.15Å
39	P	47.5	Very low	52.5	Low	39 Å²	39	97.7 Å²	97.7	25%	0.253	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-57.6	125.1	-173.9	17	-27.7	0	0	0	109.4	A37 F47 H125	A37-P39 VanDerWaalsContact O-N 3.09Å; P39-F47 PolarHBondContact O-N 3.29Å; P39-F47 VanDerWaalsContact O-N 3.14Å; P39-H125 WeakPolarHBondContact CB-NE2 3.25Å; P39-H125 WeakPolarHBondContact CG-NE2 3.17Å
40	K	42.7	Very low	55.5	Low	158 Å²	158	96.5 Å²	96.5	69%	0.687	54%	0.541	S	S	*	.	B	Isolated β-bridge	trans	-95.4	137.7	-176.4	-64.2	-174.8	-179.3	-179.8	0	109.9	S38	S38-K40 PolarHBondContact O-N 2.86Å; S38-K40 VanDerWaalsContact O-N 3.15Å
41	R	52.2	Low	58.7	Low	143 Å²	143	97.3 Å²	97.3	54%	0.54	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-66.9	169.8	171.1	-175.1	169.6	-177.5	-153.6	16.9	111.2	D43 G44 T45	R41-D43 VanDerWaalsContact CB-OD1 3.25Å; R41-D43 WeakPolarHBondContact CB-OD1 3.47Å; R41-D43 VanDerWaalsContact CD-CG 3.47Å; R41-D43 WeakPolarHBondContact CD-OD1 3.36Å; R41-D43 VanDerWaalsContact CD-OD2 3.28Å; R41-D43 WeakPolarHBondContact CD-OD2 3.47Å; R41-D43 HydrophobicContact CG-CB 4.47Å; R41-D43 WeakPolarHBondContact CG-OD1 3.21Å; R41-D43 IonicContact CZ-OD2 3.59Å; R41-D43 IonicContact NE-OD2 2.81Å; R41-D43 IonicContact NH1-OD2 3.62Å; R41-D43 PolarHBondContact NH1-OD2 2.89Å; R41-D43 PolarHBondContact O-N 2.9Å; R41-D43 VanDerWaalsContact O-N 3.14Å; R41-G44 PolarHBondContact O-N 2.91Å; R41-T45 PolarHBondContact N-O 3.44Å
42	S	47	Very low	61.9	Low	129 Å²	129	88.5 Å²	88.5	90%	0.902	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.2	165.7	56.4	0	0	0	0	114
43	D	54.1	Low	65.3	Low	85 Å²	85	86.3 Å²	86.3	46%	0.455	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.9	174.9	72.6	9.6	0	0	0	114.2	R41 T45	R41-D43 VanDerWaalsContact CB-OD1 3.25Å; R41-D43 WeakPolarHBondContact CB-OD1 3.47Å; R41-D43 VanDerWaalsContact CD-CG 3.47Å; R41-D43 WeakPolarHBondContact CD-OD1 3.36Å; R41-D43 VanDerWaalsContact CD-OD2 3.28Å; R41-D43 WeakPolarHBondContact CD-OD2 3.47Å; R41-D43 HydrophobicContact CG-CB 4.47Å; R41-D43 WeakPolarHBondContact CG-OD1 3.21Å; R41-D43 IonicContact CZ-OD2 3.59Å; R41-D43 IonicContact NE-OD2 2.81Å; R41-D43 IonicContact NH1-OD2 3.62Å; R41-D43 PolarHBondContact NH1-OD2 2.89Å; R41-D43 PolarHBondContact O-N 2.9Å; R41-D43 VanDerWaalsContact O-N 3.14Å; D43-T45 PolarHBondContact OD1-N 3.01Å; D43-T45 PolarHBondContact OD1-OG1 2.89Å; D43-T45 VanDerWaalsContact OD1-OG1 3.04Å
44	G	61.3	Low	68.4	Low	40 Å²	40	78.4 Å²	78.4	41%	0.412	44%	0.441	S	S	.	.			trans	88.5	-5.2	176.5	0	0	0	0	0	116.9	R41	R41-G44 PolarHBondContact O-N 2.91Å
45	T	76	Confident	71.6	Confident	59 Å²	59	73.8 Å²	73.8	36%	0.362	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-73.5	125.6	178.1	-41.2	0	0	0	0	110.4	R41 D43 L123	R41-T45 PolarHBondContact N-O 3.44Å; D43-T45 PolarHBondContact OD1-N 3.01Å; D43-T45 PolarHBondContact OD1-OG1 2.89Å; D43-T45 VanDerWaalsContact OD1-OG1 3.04Å; T45-L123 HydrophobicContact CG2-CD1 4.47Å
46	P	88.9	Confident	74.6	Confident	68 Å²	68	75.1 Å²	75.1	44%	0.442	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-74	137.5	178.3	28.7	-32.4	0	0	0	111.1
47	F	94.9	Very high	77.4	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.031	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-71.7	132.3	171.6	-167.1	-106.5	0	0	0	110	P39 W49 I94 L123 H125 Q130 A132	P39-F47 PolarHBondContact O-N 3.29Å; P39-F47 VanDerWaalsContact O-N 3.14Å; F47-W49 HydrophobicContact CD1-CB 4.32Å; F47-W49 WeakPolarHBondContact CD1-O 3.39Å; F47-W49 HydrophobicContact CE1-CB 4.03Å; F47-W49 PolarHBondContact O-N 3.41Å; F47-W49 VanDerWaalsContact O-N 3.1Å; F47-I94 HydrophobicContact CZ-CD1 4.41Å; F47-L123 HydrophobicContact CD2-CB 4.08Å; F47-L123 HydrophobicContact CE2-CB 4.25Å; F47-H125 HydrophobicContact CB-CB 4.49Å; F47-H125 HydrophobicContact CD1-CB 3.73Å; F47-H125 HydrophobicContact CD2-CB 3.7Å; F47-H125 HydrophobicContact CE1-CB 3.76Å; F47-H125 HydrophobicContact CE2-CB 3.7Å; F47-H125 HydrophobicContact CG-CB 3.72Å; F47-H125 HydrophobicContact CZ-CB 3.75Å; F47-Q130 HydrophobicContact CE1-CB 4.19Å; F47-Q130 HydrophobicContact CZ-CB 3.92Å; F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.56Å; F47-A132 HydrophobicContact CZ-CB 3.86Å
48	P	96.1	Very high	80.2	Confident	63 Å²	63	66.4 Å²	66.4	41%	0.409	35%	0.351	S	S	.	.	S	Bend	trans	-78.3	8.4	-167.7	31.3	-37	0	0	0	114.9	T92 I94 A132 L134	P48-T92 HydrophobicContact CB-CG2 4.18Å; P48-T92 HydrophobicContact CG-CG2 3.68Å; P48-I94 HydrophobicContact CG-CD1 4.04Å; P48-A132 HydrophobicContact CG-CB 3.6Å; P48-L134 HydrophobicContact CG-CD2 4.26Å
49	W	97.4	Very high	82.7	Confident	44 Å²	44	66.8 Å²	66.8	17%	0.167	35%	0.347	C	S	.	.			trans	-145.8	124.8	-178.3	-172.8	-107.3	0	0	0	112.2	F47 K51 R53 P55 I94 Q128	F47-W49 HydrophobicContact CD1-CB 4.32Å; F47-W49 WeakPolarHBondContact CD1-O 3.39Å; F47-W49 HydrophobicContact CE1-CB 4.03Å; F47-W49 PolarHBondContact O-N 3.41Å; F47-W49 VanDerWaalsContact O-N 3.1Å; W49-K51 HydrophobicContact CH2-CD 4.47Å; W49-K51 HydrophobicContact CZ2-CB 4.07Å; W49-K51 HydrophobicContact CZ2-CD 4.07Å; W49-K51 HydrophobicContact CZ2-CG 4.37Å; W49-K51 PolarHBondContact NE1-O 2.77Å; W49-K51 VanDerWaalsContact NE1-O 3.13Å; W49-R53 WeakPolarHBondContact CZ2-O 3.42Å; W49-R53 PolarHBondContact NE1-O 3.44Å; W49-P55 HydrophobicContact CD2-CG 3.83Å; W49-P55 HydrophobicContact CE3-CB 4.48Å; W49-P55 HydrophobicContact CE3-CG 3.92Å; W49-P55 HydrophobicContact CG-CG 4.5Å; W49-P55 HydrophobicContact CH2-CB 3.75Å; W49-P55 HydrophobicContact CH2-CG 3.92Å; W49-P55 HydrophobicContact CZ2-CB 3.99Å; W49-P55 HydrophobicContact CZ2-CG 3.83Å; W49-P55 HydrophobicContact CZ3-CB 4.03Å; W49-P55 HydrophobicContact CZ3-CG 3.97Å; W49-I94 HydrophobicContact CB-CD1 3.76Å; W49-I94 HydrophobicContact CB-CG1 3.82Å; W49-I94 HydrophobicContact CB-CG2 4.32Å; W49-I94 HydrophobicContact CG-CG1 4.08Å; W49-I94 HydrophobicContact CG-CG2 4.24Å; W49-Q128 PolarHBondContact O-NE2 2.84Å; W49-Q128 VanDerWaalsContact O-NE2 3.09Å
50	N	96.2	Very high	85.2	Confident	73 Å²	73	65 Å²	65	39%	0.39	34%	0.336	S	S	.	.			trans	-110.2	15.9	-171.2	69.7	-29.8	0	0	0	114.4
51	K	97.3	Very high	87.8	Confident	119 Å²	119	60.5 Å²	60.5	52%	0.517	32%	0.321	S	S	.	.			trans	-115.1	148.5	178.4	-61.5	-175.2	178.5	-176	0	111.5	W49 Q128 Q130	W49-K51 HydrophobicContact CH2-CD 4.47Å; W49-K51 HydrophobicContact CZ2-CB 4.07Å; W49-K51 HydrophobicContact CZ2-CD 4.07Å; W49-K51 HydrophobicContact CZ2-CG 4.37Å; W49-K51 PolarHBondContact NE1-O 2.77Å; W49-K51 VanDerWaalsContact NE1-O 3.13Å; K51-Q128 PolarHBondContact O-NE2 3.13Å; K51-Q130 PolarHBondContact O-NE2 2.58Å
52	I	96.6	Very high	90	Very high	49 Å²	49	55.1 Å²	55.1	25%	0.251	30%	0.303	S	S	.	.	S	Bend	trans	-66.2	-42.8	171.4	-66.2	177.5	0	0	0	110.2	Q130 E424 N425	I52-Q130 PolarHBondContact O-NE2 2.78Å; I52-E424 HydrophobicContact CB-CG 3.9Å; I52-E424 HydrophobicContact CD1-CG 3.9Å; I52-E424 HydrophobicContact CG1-CG 4.4Å; I52-E424 HydrophobicContact CG2-CG 4.11Å; I52-N425 HydrophobicContact CD1-CB 4.07Å
53	R	98.4	Very high	92.5	Very high	64 Å²	64	49 Å²	49	24%	0.242	26%	0.26	C	S	.	.	S	Bend	trans	-67.3	138.2	173.4	-63.6	-61.8	-56.4	-77.8	-5.2	111	W49 E196	W49-R53 WeakPolarHBondContact CZ2-O 3.42Å; W49-R53 PolarHBondContact NE1-O 3.44Å; R53-E196 VanDerWaalsContact CA-OE1 3.31Å; R53-E196 WeakPolarHBondContact CA-OE1 3.29Å; R53-E196 IonicContact CZ-OE2 3.89Å; R53-E196 VanDerWaalsContact CZ-OE2 3.25Å; R53-E196 VanDerWaalsContact NE-CD 3.27Å; R53-E196 IonicContact NE-OE1 3.51Å; R53-E196 PolarHBondContact NE-OE1 2.73Å; R53-E196 IonicContact NE-OE2 2.64Å; R53-E196 PolarHBondContact NE-OE2 2.79Å; R53-E196 IonicContact NH2-OE2 3.58Å; R53-E196 PolarHBondContact NH2-OE2 3.49Å
54	L	98.7	Very high	94.7	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.9	159.1	177.1	-67.1	-179.3	0	0	0	111.8	E56 I94 H96 Q130 F194 E196 F199	L54-E56 PolarHBondContact O-N 2.91Å; L54-I94 HydrophobicContact CD2-CB 4.49Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; L54-H96 VanDerWaalsContact CG-CE1 3.42Å; L54-H96 WeakPolarHBondContact CG-CE1 3.17Å; L54-Q130 HydrophobicContact CD2-CG 4.15Å; L54-F194 HydrophobicContact CD1-CB 3.99Å; L54-F194 HydrophobicContact CD1-CD1 3.95Å; L54-F194 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CG-CG 4.47Å; L54-E196 PolarHBondContact N-OE1 3.42Å; L54-F199 HydrophobicContact CB-CE2 4.05Å; L54-F199 HydrophobicContact CB-CZ 4.33Å; L54-F199 HydrophobicContact CD1-CD2 4.44Å; L54-F199 HydrophobicContact CD1-CE2 4.13Å
55	P	98.5	Very high	96.4	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.032	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.1	131	168.1	-4.4	16.9	0	0	0	111.5	W49 Y57 I94	W49-P55 HydrophobicContact CD2-CG 3.83Å; W49-P55 HydrophobicContact CE3-CB 4.48Å; W49-P55 HydrophobicContact CE3-CG 3.92Å; W49-P55 HydrophobicContact CG-CG 4.5Å; W49-P55 HydrophobicContact CH2-CB 3.75Å; W49-P55 HydrophobicContact CH2-CG 3.92Å; W49-P55 HydrophobicContact CZ2-CB 3.99Å; W49-P55 HydrophobicContact CZ2-CG 3.83Å; W49-P55 HydrophobicContact CZ3-CB 4.03Å; W49-P55 HydrophobicContact CZ3-CG 3.97Å; P55-Y57 HydrophobicContact CB-CD1 3.7Å; P55-Y57 HydrophobicContact CB-CE1 3.2Å; P55-Y57 HydrophobicContact CB-CE2 4.21Å; P55-Y57 HydrophobicContact CB-CG 4.41Å; P55-Y57 VanDerWaalsContact CB-CZ 3.47Å; P55-Y57 HydrophobicContact CG-CE1 4.29Å; P55-Y57 PolarHBondContact O-N 3.37Å; P55-I94 HydrophobicContact CG-CB 3.81Å; P55-I94 HydrophobicContact CG-CG1 3.75Å
56	E	98.1	Very high	97.5	Very high	143 Å²	143	44.2 Å²	44.2	67%	0.668	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	2.4	-176.1	-62.7	175.7	-173.6	0	0	114.1	L54 I59	L54-E56 PolarHBondContact O-N 2.91Å; E56-I59 WeakPolarHBondContact O-CD1 3.31Å
57	Y	97.9	Very high	98	Very high	44 Å²	44	41 Å²	41	17%	0.173	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.1	-173.8	58.4	-99.8	0	0	0	114.5	P55 A86 S87 Q88 T90	P55-Y57 HydrophobicContact CB-CD1 3.7Å; P55-Y57 HydrophobicContact CB-CE1 3.2Å; P55-Y57 HydrophobicContact CB-CE2 4.21Å; P55-Y57 HydrophobicContact CB-CG 4.41Å; P55-Y57 VanDerWaalsContact CB-CZ 3.47Å; P55-Y57 HydrophobicContact CG-CE1 4.29Å; P55-Y57 PolarHBondContact O-N 3.37Å; Y57-A86 CarbonylContact O-C 3.5Å; Y57-A86 VanDerWaalsContact O-CA 3.3Å; Y57-A86 WeakPolarHBondContact O-CA 3.45Å; Y57-S87 WeakPolarHBondContact CA-OG 3.47Å; Y57-S87 WeakPolarHBondContact CB-OG 3.31Å; Y57-S87 PolarHBondContact O-N 2.96Å; Y57-S87 PolarHBondContact O-OG 2.83Å; Y57-Q88 HydrophobicContact CD1-CG 4.27Å; Y57-Q88 HydrophobicContact CD2-CG 3.55Å; Y57-Q88 HydrophobicContact CE2-CG 4.2Å; Y57-Q88 HydrophobicContact CG-CG 3.6Å; Y57-Q88 VanDerWaalsContact CZ-NE2 3.3Å; Y57-T90 HydrophobicContact CD2-CG2 4.29Å; Y57-T90 HydrophobicContact CE2-CG2 3.94Å
58	V	98.6	Very high	98.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.7	167.1	-176.3	0	0	0	0	107.5	I84 T85 T90 I93 F194	V58-I84 HydrophobicContact CG1-CB 4.05Å; V58-I84 HydrophobicContact CG1-CD1 3.72Å; V58-I84 HydrophobicContact CG1-CG1 4.42Å; V58-I84 HydrophobicContact CG1-CG2 4.35Å; V58-T85 WeakPolarHBondContact CA-O 3.36Å; V58-T90 HydrophobicContact CG2-CG2 3.98Å; V58-I93 HydrophobicContact CG1-CG2 4.24Å; V58-F194 HydrophobicContact CB-CE1 4.13Å; V58-F194 HydrophobicContact CB-CZ 4.36Å; V58-F194 HydrophobicContact CG1-CE1 4.01Å; V58-F194 HydrophobicContact CG1-CZ 3.73Å; V58-F194 WeakPolarHBondContact O-CE1 3.31Å
59	I	98.6	Very high	98.3	Very high	63 Å²	63	40.2 Å²	40.2	32%	0.323	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.2	-170.8	-54.5	-56.5	0	0	0	109.5	E56 I84 T85 F199	E56-I59 WeakPolarHBondContact O-CD1 3.31Å; I59-I84 CarbonylContact O-C 3.27Å; I59-I84 VanDerWaalsContact O-CA 3.28Å; I59-I84 WeakPolarHBondContact O-CA 3.27Å; I59-T85 PolarHBondContact N-O 3.41Å; I59-T85 PolarHBondContact O-N 3.46Å; I59-F199 HydrophobicContact CD1-CD1 4.19Å; I59-F199 HydrophobicContact CD1-CE1 3.78Å
60	P	98.8	Very high	98.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.6	170.6	33.8	-36.5	0	0	0	111.3	Y63 V82 E83 F194 F199 A201	P60-Y63 HydrophobicContact CB-CE2 3.76Å; P60-Y63 HydrophobicContact CG-CE2 4.33Å; P60-V82 HydrophobicContact CB-CG2 3.79Å; P60-E83 CarbonylContact C-O 3.51Å; P60-E83 WeakPolarHBondContact CA-O 3.39Å; P60-F194 HydrophobicContact CB-CD2 3.81Å; P60-F194 HydrophobicContact CB-CE2 4.22Å; P60-F194 HydrophobicContact CB-CG 4.41Å; P60-F194 HydrophobicContact CG-CB 3.96Å; P60-F194 HydrophobicContact CG-CD2 3.85Å; P60-F194 HydrophobicContact CG-CG 3.95Å; P60-F199 HydrophobicContact CG-CB 3.85Å; P60-F199 HydrophobicContact CG-CD1 4.4Å; P60-F199 HydrophobicContact CG-CG 4.47Å; P60-A201 HydrophobicContact CB-CB 4.46Å
61	V	98.6	Very high	98.4	Very high	62 Å²	62	37 Å²	37	38%	0.376	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-47.5	-179.6	-179.7	0	0	0	0	110.6	E83 T85 A201 S202	V61-E83 HydrophobicContact CB-CB 4.43Å; V61-E83 HydrophobicContact CB-CG 4.33Å; V61-E83 PolarHBondContact N-O 3.16Å; V61-T85 HydrophobicContact CG2-CG2 4.4Å; V61-A201 WeakPolarHBondContact O-CA 3.44Å; V61-A201 WeakPolarHBondContact O-CB 3.46Å; V61-S202 PolarHBondContact O-N 3.33Å
62	H	98.9	Very high	98.5	Very high	31 Å²	31	36.1 Å²	36.1	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.3	-177.1	-175.8	61.5	0	0	0	111.3	D64 V82 E83 S202 S204	H62-D64 IonicContact NE2-OD1 2.76Å; H62-V82 CarbonylContact O-C 3.58Å; H62-V82 WeakPolarHBondContact O-CA 3.36Å; H62-E83 HydrophobicContact CB-CB 4.15Å; H62-E83 PolarHBondContact O-N 2.85Å; H62-S202 CarbonylContact C-O 3.57Å; H62-S202 WeakPolarHBondContact CA-O 3.33Å; H62-S202 PolarHBondContact ND1-O 3.47Å; H62-S202 VanDerWaalsContact ND1-O 3.16Å; H62-S202 PolarHBondContact ND1-OG 3.22Å; H62-S204 PolarHBondContact CE1-OG 3.42Å; H62-S204 PolarHBondContact NE2-OG 3.31Å; H62-S204 VanDerWaalsContact NE2-OG 3.07Å
63	Y	98.9	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.4	171.7	-68.9	-98.9	0	0	0	111	P60 L65 T80 K81 V82 C193 F194 A201 S202 F203 S204	P60-Y63 HydrophobicContact CB-CE2 3.76Å; P60-Y63 HydrophobicContact CG-CE2 4.33Å; Y63-L65 HydrophobicContact CD1-CD2 4.27Å; Y63-T80 HydrophobicContact CD1-CG2 4Å; Y63-K81 CarbonylContact C-O 3.5Å; Y63-K81 VanDerWaalsContact CA-O 3.31Å; Y63-K81 WeakPolarHBondContact CA-O 3.43Å; Y63-V82 HydrophobicContact CD1-CB 3.67Å; Y63-V82 HydrophobicContact CD1-CG2 3.68Å; Y63-V82 HydrophobicContact CD2-CG2 4.23Å; Y63-V82 HydrophobicContact CE1-CB 3.66Å; Y63-V82 HydrophobicContact CE1-CG1 4.47Å; Y63-V82 HydrophobicContact CE1-CG2 3.39Å; Y63-V82 HydrophobicContact CE2-CG2 3.98Å; Y63-V82 HydrophobicContact CG-CB 4.35Å; Y63-V82 HydrophobicContact CG-CG2 4.1Å; Y63-C193 HydrophobicContact CE1-CB 3.78Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.33Å; Y63-F194 PolarHBondContact OH-N 3.14Å; Y63-F194 VanDerWaalsContact OH-N 3.09Å; Y63-A201 HydrophobicContact CD2-CB 3.6Å; Y63-A201 HydrophobicContact CE2-CB 3.55Å; Y63-S202 PolarHBondContact N-O 2.66Å; Y63-F203 HydrophobicContact CD1-CE1 4.4Å; Y63-F203 AromaticContact CD2-CD1 3.85Å; Y63-F203 HydrophobicContact CD2-CD1 3.85Å; Y63-F203 AromaticContact CD2-CE1 3.35Å; Y63-F203 HydrophobicContact CD2-CE1 3.35Å; Y63-F203 AromaticContact CD2-CZ 3.79Å; Y63-F203 HydrophobicContact CD2-CZ 3.79Å; Y63-F203 AromaticContact CE2-CE1 3.86Å; Y63-F203 HydrophobicContact CE2-CE1 3.86Å; Y63-F203 HydrophobicContact CE2-CZ 4.01Å; Y63-F203 AromaticContact CG-CD1 3.87Å; Y63-F203 HydrophobicContact CG-CD1 3.87Å; Y63-F203 AromaticContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CE1 3.66Å; Y63-F203 CarbonylContact O-C 3.52Å; Y63-F203 WeakPolarHBondContact O-CA 3.5Å; Y63-S204 PolarHBondContact O-N 2.8Å
64	D	98.9	Very high	98.5	Very high	51 Å²	51	36.5 Å²	36.5	27%	0.273	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.7	157.5	-70.9	-77.2	0	0	0	109	H62 T80 K81 S204	H62-D64 IonicContact NE2-OD1 2.76Å; D64-T80 WeakPolarHBondContact O-CA 3.28Å; D64-K81 HydrophobicContact CB-CB 4.06Å; D64-K81 HydrophobicContact CB-CD 4.41Å; D64-K81 HydrophobicContact CB-CG 4.35Å; D64-K81 PolarHBondContact N-O 2.9Å; D64-K81 PolarHBondContact O-N 3.47Å; D64-S204 WeakPolarHBondContact CA-O 3.34Å
65	L	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.2	178.1	-55.5	-176	0	0	0	109.5	Y63 T80 F191 F203 S204 I205 K206 V247	Y63-L65 HydrophobicContact CD1-CD2 4.27Å; L65-T80 HydrophobicContact CD2-CG2 3.88Å; L65-F191 HydrophobicContact CD1-CD1 4.06Å; L65-F191 HydrophobicContact CD1-CD2 4.12Å; L65-F191 HydrophobicContact CD1-CE1 3.99Å; L65-F191 HydrophobicContact CD1-CE2 4.04Å; L65-F191 HydrophobicContact CD1-CG 4.14Å; L65-F191 HydrophobicContact CD1-CZ 3.99Å; L65-F191 HydrophobicContact CD2-CB 4.29Å; L65-F191 HydrophobicContact CD2-CD2 3.83Å; L65-F191 HydrophobicContact CD2-CE2 4.36Å; L65-F191 HydrophobicContact CD2-CG 4.07Å; L65-F203 HydrophobicContact CD1-CD1 4Å; L65-S204 PolarHBondContact N-O 2.81Å; L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CD1 4.49Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.53Å; L65-K206 PolarHBondContact O-N 3.04Å; L65-V247 HydrophobicContact CD1-CG1 4.22Å
66	L	98.9	Very high	98.6	Very high	32 Å²	32	37.6 Å²	37.6	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.4	165.7	173.1	64.3	0	0	0	108.7	G78 T79 K206 R208 E233	L66-G78 CarbonylContact O-C 3.51Å; L66-G78 WeakPolarHBondContact O-CA 3.29Å; L66-T79 PolarHBondContact N-O 2.81Å; L66-T79 PolarHBondContact O-N 3.09Å; L66-K206 WeakPolarHBondContact CA-O 3.34Å; L66-K206 HydrophobicContact CD1-CB 3.84Å; L66-R208 HydrophobicContact CD1-CG 4.1Å; L66-E233 HydrophobicContact CD1-CG 4.32Å
67	I	98.9	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134	175.8	-56	-64.5	0	0	0	109.4	Y151 F162 K206 I207 R208 F249	I67-Y151 VanDerWaalsContact CD1-OH 3.29Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.49Å; I67-F162 HydrophobicContact CG2-CD1 4.49Å; I67-F162 HydrophobicContact CG2-CE1 3.83Å; I67-F162 HydrophobicContact CG2-CZ 4.41Å; I67-K206 PolarHBondContact N-O 2.82Å; I67-I207 HydrophobicContact CB-CD1 3.79Å; I67-I207 HydrophobicContact CG1-CD1 4.26Å; I67-I207 HydrophobicContact CG2-CD1 4.47Å; I67-I207 CarbonylContact O-C 3.55Å; I67-I207 WeakPolarHBondContact O-CA 3.31Å; I67-R208 PolarHBondContact O-N 2.95Å; I67-F249 HydrophobicContact CD1-CZ 4.42Å; I67-F249 HydrophobicContact CG1-CE1 4.32Å; I67-F249 HydrophobicContact CG1-CE2 4.28Å; I67-F249 HydrophobicContact CG1-CZ 3.94Å; I67-F249 HydrophobicContact CG2-CE2 4.19Å
68	H	98.8	Very high	98.6	Very high	48 Å²	48	34.9 Å²	34.9	22%	0.222	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	103.7	172.8	177	-159.3	0	0	0	108.7	F76 W77 R208	H68-F76 CarbonylContact O-C 3.57Å; H68-F76 WeakPolarHBondContact O-CA 3.27Å; H68-F76 WeakPolarHBondContact O-CB 3.5Å; H68-W77 PolarHBondContact N-O 2.74Å; H68-W77 AromaticContact ND1-CE3 3.85Å; H68-W77 PolarHBondContact O-N 2.78Å; H68-R208 HydrophobicContact CB-CB 3.83Å
69	A	98.3	Very high	98.7	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.1	177.8	0	0	0	0	0	110.8	L71 F76 F162 I251	A69-L71 HydrophobicContact CB-CD1 4.06Å; A69-F76 HydrophobicContact CB-CB 4.1Å; A69-F162 HydrophobicContact CB-CE1 3.7Å; A69-F162 HydrophobicContact CB-CZ 3.72Å; A69-I251 HydrophobicContact CB-CD1 3.6Å
70	N	98.3	Very high	98.7	Very high	41 Å²	41	33.1 Å²	33.1	22%	0.219	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108	170.3	-173.9	-45.3	0	0	0	108.8	T72 T73 L74 T75 W77	N70-T72 PolarHBondContact O-N 3.31Å; N70-T72 WeakPolarHBondContact OD1-CA 3.26Å; N70-T72 VanDerWaalsContact OD1-CB 3.24Å; N70-T72 WeakPolarHBondContact OD1-CB 3.21Å; N70-T72 PolarHBondContact OD1-N 2.69Å; N70-T73 WeakPolarHBondContact CB-OG1 3.42Å; N70-T73 VanDerWaalsContact CG-OG1 3.29Å; N70-T73 PolarHBondContact OD1-N 2.83Å; N70-T73 PolarHBondContact OD1-OG1 2.66Å; N70-L74 WeakPolarHBondContact O-CA 3.26Å; N70-L74 PolarHBondContact O-N 2.8Å; N70-T75 PolarHBondContact N-O 3.04Å; N70-T75 PolarHBondContact O-N 2.72Å; N70-W77 HydrophobicContact CB-CZ3 4.32Å
71	L	98.4	Very high	98.7	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.7	-177.1	-80.7	63.9	0	0	0	112.9	A69 L74 I176 A178 I251	A69-L71 HydrophobicContact CB-CD1 4.06Å; L71-L74 WeakPolarHBondContact O-CD2 3.46Å; L71-I176 HydrophobicContact CB-CG2 4.32Å; L71-I176 HydrophobicContact CD2-CG2 4.48Å; L71-I176 HydrophobicContact CG-CG2 4.37Å; L71-A178 HydrophobicContact CD1-CB 4.28Å; L71-A178 HydrophobicContact CG-CB 4.47Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CD1 4.49Å; L71-I251 HydrophobicContact CD1-CG2 3.92Å; L71-I251 HydrophobicContact CD2-CG2 4.1Å
72	T	97.6	Very high	98.7	Very high	102 Å²	102	33.3 Å²	33.3	63%	0.626	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-47	174	-52	0	0	0	0	111.1	N70	N70-T72 PolarHBondContact O-N 3.31Å; N70-T72 WeakPolarHBondContact OD1-CA 3.26Å; N70-T72 VanDerWaalsContact OD1-CB 3.24Å; N70-T72 WeakPolarHBondContact OD1-CB 3.21Å; N70-T72 PolarHBondContact OD1-N 2.69Å
73	T	98.3	Very high	98.7	Very high	81 Å²	81	35.2 Å²	35.2	50%	0.497	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.6	179.7	57.9	0	0	0	0	113.4	N70 T75	N70-T73 WeakPolarHBondContact CB-OG1 3.42Å; N70-T73 VanDerWaalsContact CG-OG1 3.29Å; N70-T73 PolarHBondContact OD1-N 2.83Å; N70-T73 PolarHBondContact OD1-OG1 2.66Å; T73-T75 PolarHBondContact O-N 2.82Å; T73-T75 PolarHBondContact OG1-OG1 2.72Å
74	L	98.6	Very high	98.7	Very high	39 Å²	39	35.2 Å²	35.2	20%	0.204	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	32.9	-177	-51.7	177.5	0	0	0	113.2	N70 L71 L155 K164 I176	N70-L74 WeakPolarHBondContact O-CA 3.26Å; N70-L74 PolarHBondContact O-N 2.8Å; L71-L74 WeakPolarHBondContact O-CD2 3.46Å; L74-L155 HydrophobicContact CD2-CD1 4.17Å; L74-L155 PolarHBondContact O-N 2.91Å; L74-K164 HydrophobicContact CD1-CD 3.75Å; L74-K164 HydrophobicContact CD2-CD 3.65Å; L74-K164 HydrophobicContact CD2-CG 4.11Å; L74-K164 HydrophobicContact CG-CD 4.34Å; L74-I176 HydrophobicContact CD2-CD1 4.47Å; L74-I176 HydrophobicContact CD2-CG2 4.25Å
75	T	98.8	Very high	98.6	Very high	32 Å²	32	34.8 Å²	34.8	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.5	177.9	57.6	0	0	0	0	110.2	N70 T73	N70-T75 PolarHBondContact N-O 3.04Å; N70-T75 PolarHBondContact O-N 2.72Å; T73-T75 PolarHBondContact O-N 2.82Å; T73-T75 PolarHBondContact OG1-OG1 2.72Å
76	F	98.9	Very high	98.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.2	170.6	71.6	-83.6	0	0	0	112.3	H68 A69 L100 Y151 A152 G153 N154 L155 F162 A190	H68-F76 CarbonylContact O-C 3.57Å; H68-F76 WeakPolarHBondContact O-CA 3.27Å; H68-F76 WeakPolarHBondContact O-CB 3.5Å; A69-F76 HydrophobicContact CB-CB 4.1Å; F76-L100 HydrophobicContact CE2-CD2 4.14Å; F76-L100 HydrophobicContact CZ-CD2 3.66Å; F76-Y151 AromaticContact CE2-CE2 3.96Å; F76-Y151 HydrophobicContact CE2-CE2 3.96Å; F76-A152 CarbonylContact O-C 3.58Å; F76-A152 VanDerWaalsContact O-CA 3.31Å; F76-A152 WeakPolarHBondContact O-CA 3.44Å; F76-G153 VanDerWaalsContact CD1-O 3.31Å; F76-G153 WeakPolarHBondContact CD1-O 3.44Å; F76-G153 VanDerWaalsContact CE1-C 3.5Å; F76-G153 PolarHBondContact N-O 3.21Å; F76-G153 PolarHBondContact O-N 3.21Å; F76-N154 WeakPolarHBondContact CE1-O 3.36Å; F76-L155 HydrophobicContact CD1-CD2 4.14Å; F76-F162 HydrophobicContact CB-CD1 4.31Å; F76-F162 HydrophobicContact CB-CE1 4.01Å; F76-F162 AromaticContact CD1-CD1 3.85Å; F76-F162 HydrophobicContact CD1-CD1 3.85Å; F76-F162 HydrophobicContact CD1-CE1 4.36Å; F76-F162 HydrophobicContact CD2-CD1 4.09Å; F76-F162 HydrophobicContact CD2-CE1 4.43Å; F76-F162 HydrophobicContact CE1-CD1 4.11Å; F76-F162 HydrophobicContact CE2-CD1 4.32Å; F76-F162 AromaticContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CE1 4.04Å; F76-F162 HydrophobicContact CZ-CD1 4.34Å; F76-A190 WeakPolarHBondContact CE2-O 3.47Å
77	W	98.9	Very high	98.5	Very high	124 Å²	124	37 Å²	37	47%	0.47	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.1	171.4	-61.7	-87.9	0	0	0	109.5	H68 N70	H68-W77 PolarHBondContact N-O 2.74Å; H68-W77 AromaticContact ND1-CE3 3.85Å; H68-W77 PolarHBondContact O-N 2.78Å; N70-W77 HydrophobicContact CB-CZ3 4.32Å
78	G	98.8	Very high	98.4	Very high	5 Å²	5	41.3 Å²	41.3	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.3	178.5	0	0	0	0	0	112.9	L66 Y151	L66-G78 CarbonylContact O-C 3.51Å; L66-G78 WeakPolarHBondContact O-CA 3.29Å; G78-Y151 VanDerWaalsContact C-CE1 3.48Å; G78-Y151 VanDerWaalsContact CA-CZ 3.47Å; G78-Y151 PolarHBondContact N-O 2.84Å; G78-Y151 PolarHBondContact O-N 2.81Å
79	T	98.9	Very high	98.3	Very high	29 Å²	29	43.5 Å²	43.5	18%	0.178	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	113.5	163.1	-61.4	0	0	0	0	108.1	L66 V148 I149 H150	L66-T79 PolarHBondContact N-O 2.81Å; L66-T79 PolarHBondContact O-N 3.09Å; T79-V148 HydrophobicContact CG2-CG1 4.19Å; T79-I149 CarbonylContact C-O 3.59Å; T79-I149 WeakPolarHBondContact CA-O 3.19Å; T79-H150 PolarHBondContact OG1-ND1 2.98Å
80	T	98.9	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.3	174.8	-65.4	0	0	0	0	108.5	Y63 D64 L65 V82 V148 I149 Y151	Y63-T80 HydrophobicContact CD1-CG2 4Å; D64-T80 WeakPolarHBondContact O-CA 3.28Å; L65-T80 HydrophobicContact CD2-CG2 3.88Å; T80-V82 HydrophobicContact CG2-CB 4.49Å; T80-V148 CarbonylContact O-C 3.52Å; T80-V148 WeakPolarHBondContact O-CA 3.33Å; T80-I149 PolarHBondContact N-O 3.03Å; T80-I149 PolarHBondContact O-N 2.9Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.5Å
81	K	98.9	Very high	98.2	Very high	68 Å²	68	44 Å²	44	30%	0.296	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	161	-46.2	179.8	-178.7	170.3	0	107.7	Y63 D64 T146 V147 V148	Y63-K81 CarbonylContact C-O 3.5Å; Y63-K81 VanDerWaalsContact CA-O 3.31Å; Y63-K81 WeakPolarHBondContact CA-O 3.43Å; D64-K81 HydrophobicContact CB-CB 4.06Å; D64-K81 HydrophobicContact CB-CD 4.41Å; D64-K81 HydrophobicContact CB-CG 4.35Å; D64-K81 PolarHBondContact N-O 2.9Å; D64-K81 PolarHBondContact O-N 3.47Å; K81-T146 HydrophobicContact CB-CG2 3.8Å; K81-V147 CarbonylContact C-O 3.46Å; K81-V147 VanDerWaalsContact CA-O 3.25Å; K81-V147 WeakPolarHBondContact CA-O 3.21Å; K81-V148 HydrophobicContact CB-CG2 4.35Å; K81-V148 HydrophobicContact CD-CG2 4.38Å; K81-V148 HydrophobicContact CG-CG1 4.17Å; K81-V148 HydrophobicContact CG-CG2 3.98Å
82	V	98.8	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.6	176.3	59.3	0	0	0	0	109.5	P60 H62 Y63 T80 I84 T146 V147 F194	P60-V82 HydrophobicContact CB-CG2 3.79Å; H62-V82 CarbonylContact O-C 3.58Å; H62-V82 WeakPolarHBondContact O-CA 3.36Å; Y63-V82 HydrophobicContact CD1-CB 3.67Å; Y63-V82 HydrophobicContact CD1-CG2 3.68Å; Y63-V82 HydrophobicContact CD2-CG2 4.23Å; Y63-V82 HydrophobicContact CE1-CB 3.66Å; Y63-V82 HydrophobicContact CE1-CG1 4.47Å; Y63-V82 HydrophobicContact CE1-CG2 3.39Å; Y63-V82 HydrophobicContact CE2-CG2 3.98Å; Y63-V82 HydrophobicContact CG-CB 4.35Å; Y63-V82 HydrophobicContact CG-CG2 4.1Å; T80-V82 HydrophobicContact CG2-CB 4.49Å; V82-I84 HydrophobicContact CG1-CG2 4.17Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; V82-T146 CarbonylContact O-C 3.55Å; V82-T146 WeakPolarHBondContact O-CA 3.21Å; V82-V147 HydrophobicContact CG1-CB 3.72Å; V82-V147 HydrophobicContact CG1-CG1 4.46Å; V82-V147 HydrophobicContact CG1-CG2 4.32Å; V82-V147 PolarHBondContact N-O 2.93Å; V82-V147 PolarHBondContact O-N 2.95Å; V82-F194 HydrophobicContact CG2-CE2 4.41Å
83	E	98.8	Very high	98.3	Very high	71 Å²	71	40.2 Å²	40.2	33%	0.332	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.9	167.8	-173.4	179.1	177.2	0	0	108.8	P60 V61 H62 Y145	P60-E83 CarbonylContact C-O 3.51Å; P60-E83 WeakPolarHBondContact CA-O 3.39Å; V61-E83 HydrophobicContact CB-CB 4.43Å; V61-E83 HydrophobicContact CB-CG 4.33Å; V61-E83 PolarHBondContact N-O 3.16Å; H62-E83 HydrophobicContact CB-CB 4.15Å; H62-E83 PolarHBondContact O-N 2.85Å; E83-Y145 CarbonylContact C-O 3.6Å; E83-Y145 VanDerWaalsContact CA-O 3.3Å; E83-Y145 WeakPolarHBondContact CA-O 3.3Å
84	I	98.6	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.2	-177.9	62.3	167.8	0	0	0	111	V58 I59 V82 I93 L139 P144 Y145 V147 F194	V58-I84 HydrophobicContact CG1-CB 4.05Å; V58-I84 HydrophobicContact CG1-CD1 3.72Å; V58-I84 HydrophobicContact CG1-CG1 4.42Å; V58-I84 HydrophobicContact CG1-CG2 4.35Å; I59-I84 CarbonylContact O-C 3.27Å; I59-I84 VanDerWaalsContact O-CA 3.28Å; I59-I84 WeakPolarHBondContact O-CA 3.27Å; V82-I84 HydrophobicContact CG1-CG2 4.17Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; I84-I93 HydrophobicContact CD1-CD1 3.61Å; I84-I93 HydrophobicContact CD1-CG1 4.12Å; I84-I93 HydrophobicContact CD1-CG2 4.45Å; I84-L139 HydrophobicContact CD1-CD2 3.96Å; I84-P144 WeakPolarHBondContact O-CA 3.29Å; I84-Y145 PolarHBondContact N-O 2.92Å; I84-Y145 PolarHBondContact O-N 2.97Å; I84-V147 HydrophobicContact CD1-CG2 3.57Å; I84-V147 HydrophobicContact CG1-CG2 4.13Å; I84-F194 HydrophobicContact CG2-CE2 3.83Å; I84-F194 HydrophobicContact CG2-CZ 4.1Å
85	T	97.9	Very high	98.3	Very high	42 Å²	42	34.7 Å²	34.7	26%	0.258	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.5	164.8	55.3	0	0	0	0	109.6	V58 I59 V61	V58-T85 WeakPolarHBondContact CA-O 3.36Å; I59-T85 PolarHBondContact N-O 3.41Å; I59-T85 PolarHBondContact O-N 3.46Å; V61-T85 HydrophobicContact CG2-CG2 4.4Å
86	A	97.8	Very high	98.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.8	174	0	0	0	0	0	110.1	Y57 T90 L139 V141 G142	Y57-A86 CarbonylContact O-C 3.5Å; Y57-A86 VanDerWaalsContact O-CA 3.3Å; Y57-A86 WeakPolarHBondContact O-CA 3.45Å; A86-T90 HydrophobicContact CB-CG2 4.43Å; A86-L139 HydrophobicContact CB-CB 4.22Å; A86-L139 HydrophobicContact CB-CD2 4.46Å; A86-V141 CarbonylContact O-C 3.58Å; A86-V141 WeakPolarHBondContact O-CA 3.22Å; A86-G142 PolarHBondContact O-N 3.04Å
87	S	96.9	Very high	98.3	Very high	78 Å²	78	33.7 Å²	33.7	55%	0.545	18%	0.184	S	C	.	.	S	Bend	trans	-90.8	-12.5	175.3	64.4	0	0	0	0	113.2	Y57	Y57-S87 WeakPolarHBondContact CA-OG 3.47Å; Y57-S87 WeakPolarHBondContact CB-OG 3.31Å; Y57-S87 PolarHBondContact O-N 2.96Å; Y57-S87 PolarHBondContact O-OG 2.83Å
88	Q	96.5	Very high	98.3	Very high	89 Å²	89	29.7 Å²	29.7	42%	0.416	17%	0.17	S	C	.	.	S	Bend	trans	-137.9	154.9	169.2	73.6	-175.4	3.5	0	0	110.8	Y57 T90	Y57-Q88 HydrophobicContact CD1-CG 4.27Å; Y57-Q88 HydrophobicContact CD2-CG 3.55Å; Y57-Q88 HydrophobicContact CE2-CG 4.2Å; Y57-Q88 HydrophobicContact CG-CG 3.6Å; Y57-Q88 VanDerWaalsContact CZ-NE2 3.3Å; Q88-T90 PolarHBondContact O-N 3.22Å
89	P	97.1	Very high	98.2	Very high	94 Å²	94	36.4 Å²	36.4	61%	0.61	20%	0.2	S	C	*	.			trans	-60.7	127.4	176.4	-18.9	31.4	0	0	0	110.7	V141	P89-V141 VanDerWaalsContact CD-CG2 3.49Å; P89-V141 HydrophobicContact CG-CG2 3.82Å
90	T	97.8	Very high	98.2	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.8	178	-178.2	0	0	0	0	110.5	Y57 V58 A86 Q88 T92 L139	Y57-T90 HydrophobicContact CD2-CG2 4.29Å; Y57-T90 HydrophobicContact CE2-CG2 3.94Å; V58-T90 HydrophobicContact CG2-CG2 3.98Å; A86-T90 HydrophobicContact CB-CG2 4.43Å; Q88-T90 PolarHBondContact O-N 3.22Å; T90-T92 PolarHBondContact OG1-N 3.3Å; T90-T92 PolarHBondContact OG1-O 2.97Å; T90-L139 WeakPolarHBondContact O-CB 3.21Å; T90-L139 WeakPolarHBondContact O-CD1 3.47Å; T90-L139 PolarHBondContact O-N 3.01Å
91	S	97.3	Very high	98.2	Very high	43 Å²	43	42.6 Å²	42.6	30%	0.301	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	3.9	168.5	-59.2	0	0	0	0	112.3	A135 P138	S91-A135 PolarHBondContact O-N 3.49Å; S91-P138 WeakPolarHBondContact OG-CA 3.25Å
92	T	98.3	Very high	98.2	Very high	29 Å²	29	40.6 Å²	40.6	18%	0.178	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.8	-173.5	-57.7	0	0	0	0	110.1	P48 T90 I94 A132 L133 L134	P48-T92 HydrophobicContact CB-CG2 4.18Å; P48-T92 HydrophobicContact CG-CG2 3.68Å; T90-T92 PolarHBondContact OG1-N 3.3Å; T90-T92 PolarHBondContact OG1-O 2.97Å; T92-I94 HydrophobicContact CG2-CD1 3.46Å; T92-I94 VanDerWaalsContact CG2-CD1 3.46Å; T92-I94 HydrophobicContact CG2-CG1 4.16Å; T92-A132 HydrophobicContact CG2-CB 4.19Å; T92-L133 WeakPolarHBondContact CA-O 3.41Å; T92-L134 HydrophobicContact CG2-CD2 3.93Å
93	I	98.8	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.2	173	-56.1	160.8	0	0	0	107.4	V58 I84 L95 L107 A132 L133 L139 V147 F194	V58-I93 HydrophobicContact CG1-CG2 4.24Å; I84-I93 HydrophobicContact CD1-CD1 3.61Å; I84-I93 HydrophobicContact CD1-CG1 4.12Å; I84-I93 HydrophobicContact CD1-CG2 4.45Å; I93-L95 HydrophobicContact CG2-CD2 4Å; I93-L107 HydrophobicContact CD1-CD1 4.1Å; I93-A132 CarbonylContact O-C 3.51Å; I93-A132 WeakPolarHBondContact O-CA 3.17Å; I93-L133 HydrophobicContact CB-CB 4.26Å; I93-L133 PolarHBondContact N-O 3.28Å; I93-L133 PolarHBondContact O-N 3.35Å; I93-L139 HydrophobicContact CD1-CD2 4.11Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; I93-V147 HydrophobicContact CD1-CG2 3.68Å; I93-F194 HydrophobicContact CG2-CZ 3.89Å
94	I	98.9	Very high	98.1	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.6	176.6	-48.7	-63.8	0	0	0	108.3	F47 P48 W49 L54 P55 T92 Q130 I131 A132 F194	F47-I94 HydrophobicContact CZ-CD1 4.41Å; P48-I94 HydrophobicContact CG-CD1 4.04Å; W49-I94 HydrophobicContact CB-CD1 3.76Å; W49-I94 HydrophobicContact CB-CG1 3.82Å; W49-I94 HydrophobicContact CB-CG2 4.32Å; W49-I94 HydrophobicContact CG-CG1 4.08Å; W49-I94 HydrophobicContact CG-CG2 4.24Å; L54-I94 HydrophobicContact CD2-CB 4.49Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; P55-I94 HydrophobicContact CG-CB 3.81Å; P55-I94 HydrophobicContact CG-CG1 3.75Å; T92-I94 HydrophobicContact CG2-CD1 3.46Å; T92-I94 VanDerWaalsContact CG2-CD1 3.46Å; T92-I94 HydrophobicContact CG2-CG1 4.16Å; I94-Q130 HydrophobicContact CG2-CB 4.34Å; I94-Q130 HydrophobicContact CG2-CG 4.22Å; I94-I131 WeakPolarHBondContact CA-O 3.37Å; I94-A132 HydrophobicContact CD1-CB 3.48Å; I94-A132 VanDerWaalsContact CD1-CB 3.48Å; I94-F194 WeakPolarHBondContact O-CE1 3.42Å
95	L	98.9	Very high	98.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	170.3	173.9	63.1	126.1	0	0	0	110.8	I93 Q130 I131 L133 I149 P192 F194	I93-L95 HydrophobicContact CG2-CD2 4Å; L95-Q130 CarbonylContact O-C 3.52Å; L95-Q130 VanDerWaalsContact O-CA 3.3Å; L95-Q130 WeakPolarHBondContact O-CA 3.26Å; L95-I131 HydrophobicContact CD1-CD1 4.09Å; L95-I131 HydrophobicContact CD1-CG1 4.19Å; L95-I131 HydrophobicContact CD2-CG1 4.41Å; L95-I131 HydrophobicContact CG-CD1 4.24Å; L95-I131 HydrophobicContact CG-CG1 3.87Å; L95-I131 PolarHBondContact N-O 3.32Å; L95-I131 VanDerWaalsContact N-O 3.13Å; L95-I131 PolarHBondContact O-N 3.34Å; L95-L133 HydrophobicContact CD2-CD1 3.68Å; L95-L133 HydrophobicContact CD2-CG 4.07Å; L95-I149 HydrophobicContact CD1-CD1 4.15Å; L95-I149 HydrophobicContact CD2-CD1 4.5Å; L95-P192 VanDerWaalsContact CD1-C 3.48Å; L95-P192 HydrophobicContact CD1-CB 3.45Å; L95-P192 VanDerWaalsContact CD1-CB 3.45Å; L95-F194 HydrophobicContact CB-CD2 4.47Å; L95-F194 HydrophobicContact CB-CE2 4.47Å; L95-F194 HydrophobicContact CB-CZ 4.48Å
96	H	98.9	Very high	98.2	Very high	3 Å²	3	47 Å²	47	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.8	180	-64.5	114.8	0	0	0	112.2	L54 E129 R188 P192 C193 D195 E196	L54-H96 VanDerWaalsContact CG-CE1 3.42Å; L54-H96 WeakPolarHBondContact CG-CE1 3.17Å; H96-E129 CarbonylContact C-O 3.49Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.48Å; H96-E129 PolarHBondContact CD2-O 2.86Å; H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 2.66Å; H96-R188 PolarHBondContact CE1-NH2 3.03Å; H96-R188 VanDerWaalsContact CE1-NH2 3.34Å; H96-R188 VanDerWaalsContact CG-CZ 3.46Å; H96-R188 PolarHBondContact ND1-NH2 3.07Å; H96-R188 PolarHBondContact NE2-NH2 2.85Å; H96-P192 VanDerWaalsContact O-CA 3.31Å; H96-P192 WeakPolarHBondContact O-CA 3.4Å; H96-C193 WeakPolarHBondContact CA-O 3.47Å; H96-C193 WeakPolarHBondContact CB-O 3.3Å; H96-C193 PolarHBondContact N-O 2.84Å; H96-C193 PolarHBondContact O-N 3.23Å; H96-D195 HydrophobicContact CB-CB 3.79Å; H96-D195 PolarHBondContact ND1-N 2.82Å; H96-E196 IonicContact CE1-OE1 3.51Å
97	S	98.8	Very high	98.2	Very high	11 Å²	11	47.2 Å²	47.2	8%	0.077	25%	0.253	C	S	.	.			trans	-160.5	129.5	170.1	175.9	0	0	0	0	108.8	E129	S97-E129 PolarHBondContact N-O 3.04Å; S97-E129 CarbonylContact O-C 3.6Å
98	H	98.6	Very high	98.1	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.181	24%	0.238	C	C	.	.			trans	-137	127.9	-177.6	-171.7	58.8	0	0	0	110.9	L100 E129 R188 M189	H98-L100 PolarHBondContact O-N 2.7Å; H98-E129 HydrophobicContact CB-CB 4.3Å; H98-E129 HydrophobicContact CB-CG 4.4Å; H98-R188 HydrophobicContact CB-CG 4.04Å; H98-R188 PolarHBondContact N-O 3.14Å; H98-M189 HydrophobicContact CB-CG 3.94Å; H98-M189 WeakPolarHBondContact O-CA 3.42Å
99	H	97.9	Very high	97.8	Very high	146 Å²	146	45.9 Å²	45.9	68%	0.676	23%	0.234	S	C	*	.	S	Bend	trans	56	28.4	-178.4	-62.6	-41.4	0	0	0	115.6
100	L	98.7	Very high	97.1	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.058	23%	0.229	C	C	.	.			trans	-110.9	133.9	172.7	-61.5	179.3	0	0	0	110.4	F76 H98 I102 Y151 M189 P192	F76-L100 HydrophobicContact CE2-CD2 4.14Å; F76-L100 HydrophobicContact CZ-CD2 3.66Å; H98-L100 PolarHBondContact O-N 2.7Å; L100-I102 HydrophobicContact CB-CD1 4.27Å; L100-I102 PolarHBondContact O-N 2.89Å; L100-Y151 HydrophobicContact CB-CD2 4.36Å; L100-Y151 HydrophobicContact CD1-CD2 3.93Å; L100-Y151 HydrophobicContact CD1-CE2 4.01Å; L100-Y151 HydrophobicContact CD2-CD2 3.98Å; L100-Y151 HydrophobicContact CD2-CE2 4.21Å; L100-Y151 HydrophobicContact CG-CD2 4.32Å; L100-M189 WeakPolarHBondContact CD2-O 3.49Å; L100-P192 HydrophobicContact CD1-CG 3.96Å
101	Q	98.7	Very high	95.9	Very high	149 Å²	149	46.8 Å²	46.8	70%	0.696	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	105.7	174	-174.3	-179.6	2.8	0	0	109.6	S103 Y151 A152	Q101-S103 PolarHBondContact O-N 2.6Å; Q101-Y151 CarbonylContact O-C 3.54Å; Q101-Y151 WeakPolarHBondContact O-CA 3.36Å; Q101-Y151 WeakPolarHBondContact O-CB 3.29Å; Q101-A152 PolarHBondContact N-O 2.86Å; Q101-A152 PolarHBondContact O-N 2.85Å
102	I	98.6	Very high	94.8	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.2	178.7	-49.9	-53.8	0	0	0	109.8	L100 V122 I131 I149 Y151 P192	L100-I102 HydrophobicContact CB-CD1 4.27Å; L100-I102 PolarHBondContact O-N 2.89Å; I102-V122 HydrophobicContact CG2-CG1 4.43Å; I102-V122 HydrophobicContact CG2-CG2 4.14Å; I102-I131 HydrophobicContact CG1-CD1 4.39Å; I102-I149 HydrophobicContact CD1-CG2 3.99Å; I102-I149 HydrophobicContact CG2-CG2 3.73Å; I102-Y151 HydrophobicContact CD1-CG 4.43Å; I102-P192 HydrophobicContact CD1-CG 3.72Å
103	S	97.8	Very high	93.2	Very high	94 Å²	94	56.3 Å²	56.3	66%	0.657	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	-32.3	-179.6	62.2	0	0	0	0	113.1	Q101 H150	Q101-S103 PolarHBondContact O-N 2.6Å; S103-H150 PolarHBondContact N-O 2.88Å; S103-H150 WeakPolarHBondContact OG-CB 3.27Å; S103-H150 PolarHBondContact OG-O 2.83Å
104	R	98.3	Very high	92.2	Very high	146 Å²	146	66.9 Å²	66.9	55%	0.551	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.5	137.5	-177.5	-177.4	178	179.6	-178.1	-0.7	110.6	T106 I149 H150	R104-T106 HydrophobicContact CG-CG2 4.39Å; R104-I149 WeakPolarHBondContact O-CA 3.32Å; R104-H150 HydrophobicContact CB-CB 4.28Å; R104-H150 PolarHBondContact N-O 2.86Å; R104-H150 PolarHBondContact O-N 2.99Å
105	A	98.6	Very high	91.6	Very high	5 Å²	5	70.5 Å²	70.5	4%	0.041	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.4	169.5	0	0	0	0	0	110.4	L120 V122 L133 V148	A105-L120 HydrophobicContact CB-CB 3.93Å; A105-L120 HydrophobicContact CB-CD1 4.47Å; A105-L120 PolarHBondContact O-N 2.97Å; A105-V122 HydrophobicContact CB-CG2 3.7Å; A105-L133 HydrophobicContact CB-CD2 4.05Å; A105-V148 CarbonylContact C-O 3.52Å; A105-V148 VanDerWaalsContact CA-O 3.27Å; A105-V148 WeakPolarHBondContact CA-O 3.35Å
106	T	98.5	Very high	91.2	Very high	4 Å²	4	72.9 Å²	72.9	3%	0.025	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153	175.3	58.4	0	0	0	0	111.2	R104 E117 E118 V147 V148	R104-T106 HydrophobicContact CG-CG2 4.39Å; T106-E117 WeakPolarHBondContact CB-OE1 3.41Å; T106-E117 HydrophobicContact CG2-CG 4.12Å; T106-E117 PolarHBondContact OG1-OE1 2.91Å; T106-E118 CarbonylContact C-O 3.55Å; T106-E118 WeakPolarHBondContact CA-O 3.17Å; T106-E118 WeakPolarHBondContact CB-O 3.25Å; T106-V147 WeakPolarHBondContact O-CA 3.37Å; T106-V148 PolarHBondContact N-O 2.91Å; T106-V148 PolarHBondContact O-N 2.89Å
107	L	98	Very high	91	Very high	6 Å²	6	76.4 Å²	76.4	3%	0.031	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	172.9	-171.4	66.5	0	0	0	108.9	I93 E117 E118 L120 A135 L139 Y145 V147	I93-L107 HydrophobicContact CD1-CD1 4.1Å; L107-E117 WeakPolarHBondContact O-CA 3.34Å; L107-E118 PolarHBondContact N-O 2.87Å; L107-E118 PolarHBondContact O-N 2.84Å; L107-L120 HydrophobicContact CB-CD1 3.95Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.96Å; L107-A135 HydrophobicContact CD2-CB 4.1Å; L107-L139 HydrophobicContact CD2-CD1 3.85Å; L107-L139 HydrophobicContact CD2-CG 4.27Å; L107-Y145 HydrophobicContact CD1-CD1 4.05Å; L107-Y145 HydrophobicContact CD1-CG 4.31Å; L107-Y145 HydrophobicContact CD2-CD1 3.9Å; L107-Y145 HydrophobicContact CD2-CE1 4.2Å; L107-Y145 HydrophobicContact CG-CD1 3.91Å; L107-V147 HydrophobicContact CD1-CG2 3.88Å
108	R	95.7	Very high	90.8	Very high	62 Å²	62	78.3 Å²	78.3	23%	0.234	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.4	175.6	-65.9	175.9	179.5	-157.3	-8.3	111.1	L115 S116 E117 Y145 T146 V148	R108-L115 HydrophobicContact CB-CD1 4.01Å; R108-L115 HydrophobicContact CG-CD1 4.4Å; R108-S116 VanDerWaalsContact CA-O 3.25Å; R108-S116 WeakPolarHBondContact CA-O 3.41Å; R108-E117 HydrophobicContact CG-CB 4.13Å; R108-E117 HydrophobicContact CG-CG 3.9Å; R108-E117 IonicContact CZ-OE1 3.7Å; R108-E117 IonicContact CZ-OE2 3.38Å; R108-E117 VanDerWaalsContact NE-CD 3.26Å; R108-E117 IonicContact NE-OE1 3.15Å; R108-E117 PolarHBondContact NE-OE1 2.68Å; R108-E117 IonicContact NE-OE2 3.91Å; R108-E117 PolarHBondContact NE-OE2 2.88Å; R108-E117 IonicContact NH2-OE1 2.66Å; R108-E117 PolarHBondContact NH2-OE1 3Å; R108-E117 IonicContact NH2-OE2 3.52Å; R108-E117 PolarHBondContact NH2-OE2 3.06Å; R108-Y145 WeakPolarHBondContact O-CA 3.43Å; R108-T146 PolarHBondContact N-O 3.07Å; R108-T146 PolarHBondContact O-N 2.9Å; R108-V148 HydrophobicContact CG-CG2 4.35Å
109	K	90.3	Very high	90.7	Very high	77 Å²	77	81.3 Å²	81.3	34%	0.335	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	176.2	-174.9	-177.1	-177.7	179.5	0	109.6	L115 S116 Y145	K109-L115 WeakPolarHBondContact O-CA 3.33Å; K109-S116 PolarHBondContact N-O 3.07Å; K109-S116 PolarHBondContact O-N 2.88Å; K109-Y145 HydrophobicContact CB-CD1 4.05Å; K109-Y145 HydrophobicContact CB-CE1 3.99Å; K109-Y145 HydrophobicContact CD-CE1 3.82Å; K109-Y145 HydrophobicContact CG-CD1 4.28Å; K109-Y145 HydrophobicContact CG-CE1 3.89Å
110	G	81.1	Confident	90.7	Very high	50 Å²	50	74.9 Å²	74.9	52%	0.515	41%	0.405	S	S	.	.	S	Bend	trans	80.8	-172.1	-177.3	0	0	0	0	0	113.6	L115	G110-L115 WeakPolarHBondContact O-CD1 3.43Å
111	A	73.8	Confident	90.7	Very high	78 Å²	78	79.8 Å²	79.8	65%	0.645	43%	0.427	S	S	*	.	S	Bend	trans	-144	158.3	179.9	0	0	0	0	0	110.8	R114	A111-R114 PolarHBondContact O-N 2.86Å
112	G	73.1	Confident	90.6	Very high	67 Å²	67	74.8 Å²	74.8	69%	0.691	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	62	-133.7	177.8	0	0	0	0	0	113.1	R114 L115	G112-R114 PolarHBondContact O-N 2.89Å; G112-L115 VanDerWaalsContact O-CB 3.26Å; G112-L115 WeakPolarHBondContact O-CB 3.42Å; G112-L115 PolarHBondContact O-N 2.92Å
113	E	65.6	Low	90.5	Very high	206 Å²	206	74.2 Å²	74.2	96%	0.963	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-66.2	-16.1	-179.1	-64.2	-173.9	159	0	0	114.1
114	R	78.6	Confident	90.4	Very high	222 Å²	222	74.9 Å²	74.9	84%	0.838	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-100.6	13.5	178.8	-62	179.8	69.2	-174.3	2.5	112.9	A111 G112 S116	A111-R114 PolarHBondContact O-N 2.86Å; G112-R114 PolarHBondContact O-N 2.89Å; R114-S116 PolarHBondContact O-N 2.99Å
115	L	85.2	Confident	90.4	Very high	78 Å²	78	68.8 Å²	68.8	41%	0.408	37%	0.374	S	S	.	.			trans	-70.2	113.2	177.4	-173.8	71.9	0	0	0	109.9	R108 K109 G110 G112	R108-L115 HydrophobicContact CB-CD1 4.01Å; R108-L115 HydrophobicContact CG-CD1 4.4Å; K109-L115 WeakPolarHBondContact O-CA 3.33Å; G110-L115 WeakPolarHBondContact O-CD1 3.43Å; G112-L115 VanDerWaalsContact O-CB 3.26Å; G112-L115 WeakPolarHBondContact O-CB 3.42Å; G112-L115 PolarHBondContact O-N 2.92Å
116	S	90.2	Very high	90.2	Very high	52 Å²	52	72.9 Å²	72.9	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142	163.4	-171	0	0	0	0	109.1	R108 K109 R114	R108-S116 VanDerWaalsContact CA-O 3.25Å; R108-S116 WeakPolarHBondContact CA-O 3.41Å; K109-S116 PolarHBondContact N-O 3.07Å; K109-S116 PolarHBondContact O-N 2.88Å; R114-S116 PolarHBondContact O-N 2.99Å
117	E	94.2	Very high	90	Very high	76 Å²	76	83.8 Å²	83.8	36%	0.355	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119.4	173.8	-174.8	163.2	-155	0	0	109.7	T106 L107 R108	T106-E117 WeakPolarHBondContact CB-OE1 3.41Å; T106-E117 HydrophobicContact CG2-CG 4.12Å; T106-E117 PolarHBondContact OG1-OE1 2.91Å; L107-E117 WeakPolarHBondContact O-CA 3.34Å; R108-E117 HydrophobicContact CG-CB 4.13Å; R108-E117 HydrophobicContact CG-CG 3.9Å; R108-E117 IonicContact CZ-OE1 3.7Å; R108-E117 IonicContact CZ-OE2 3.38Å; R108-E117 VanDerWaalsContact NE-CD 3.26Å; R108-E117 IonicContact NE-OE1 3.15Å; R108-E117 PolarHBondContact NE-OE1 2.68Å; R108-E117 IonicContact NE-OE2 3.91Å; R108-E117 PolarHBondContact NE-OE2 2.88Å; R108-E117 IonicContact NH2-OE1 2.66Å; R108-E117 PolarHBondContact NH2-OE1 3Å; R108-E117 IonicContact NH2-OE2 3.52Å; R108-E117 PolarHBondContact NH2-OE2 3.06Å
118	E	95	Very high	90	Very high	51 Å²	51	84.7 Å²	84.7	24%	0.238	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.5	-175.7	-70.2	168.4	-160.7	0	0	110.2	T106 L107 P136	T106-E118 CarbonylContact C-O 3.55Å; T106-E118 WeakPolarHBondContact CA-O 3.17Å; T106-E118 WeakPolarHBondContact CB-O 3.25Å; L107-E118 PolarHBondContact N-O 2.87Å; L107-E118 PolarHBondContact O-N 2.84Å; E118-P136 HydrophobicContact CB-CG 4.29Å; E118-P136 HydrophobicContact CG-CG 4.48Å; E118-P136 VanDerWaalsContact OE2-CG 3.25Å; E118-P136 WeakPolarHBondContact OE2-CG 3.42Å
119	P	97.3	Very high	90.1	Very high	102 Å²	102	83.4 Å²	83.4	66%	0.662	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.5	175.1	30.1	-33.8	0	0	0	110.9
120	L	98	Very high	90.5	Very high	12 Å²	12	79.9 Å²	79.9	6%	0.063	43%	0.427	C	S	.	.			trans	-104.8	129.6	172.2	-68	170.1	0	0	0	109.6	A105 L107 L133 L134 A135 V147	A105-L120 HydrophobicContact CB-CB 3.93Å; A105-L120 HydrophobicContact CB-CD1 4.47Å; A105-L120 PolarHBondContact O-N 2.97Å; L107-L120 HydrophobicContact CB-CD1 3.95Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.96Å; L120-L133 HydrophobicContact CB-CB 4.18Å; L120-L133 HydrophobicContact CD1-CB 3.91Å; L120-L133 HydrophobicContact CD1-CD1 3.95Å; L120-L133 HydrophobicContact CD2-CB 4.47Å; L120-L133 HydrophobicContact CG-CB 4.42Å; L120-L134 WeakPolarHBondContact CA-O 3.46Å; L120-L134 WeakPolarHBondContact CD2-O 3.45Å; L120-A135 HydrophobicContact CD2-CB 3.78Å; L120-V147 HydrophobicContact CD1-CG1 4Å
121	Q	97.4	Very high	91.3	Very high	114 Å²	114	77.7 Å²	77.7	53%	0.533	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.7	168.4	179.6	-179.4	-3.8	0	0	109	L133 L134	Q121-L133 CarbonylContact O-C 3.53Å; Q121-L133 WeakPolarHBondContact O-CA 3.35Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.42Å; Q121-L134 HydrophobicContact CB-CG 4.49Å; Q121-L134 HydrophobicContact CG-CD1 4.39Å; Q121-L134 PolarHBondContact N-O 2.95Å; Q121-L134 VanDerWaalsContact N-O 3.13Å; Q121-L134 PolarHBondContact O-N 2.79Å
122	V	97.7	Very high	92.5	Very high	43 Å²	43	74 Å²	74	26%	0.261	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	-179.2	-171.5	0	0	0	0	109.8	I102 A105 I131 A132 L133	I102-V122 HydrophobicContact CG2-CG1 4.43Å; I102-V122 HydrophobicContact CG2-CG2 4.14Å; A105-V122 HydrophobicContact CB-CG2 3.7Å; V122-I131 HydrophobicContact CG1-CB 4.41Å; V122-A132 WeakPolarHBondContact CA-O 3.41Å; V122-L133 HydrophobicContact CB-CD2 4.36Å; V122-L133 HydrophobicContact CG1-CD2 4.11Å; V122-L133 HydrophobicContact CG2-CD2 3.81Å
123	L	96.6	Very high	93.7	Very high	13 Å²	13	70.8 Å²	70.8	7%	0.068	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.6	166.5	-55.5	178.9	0	0	0	109	T45 F47 I131 A132 L134	T45-L123 HydrophobicContact CG2-CD1 4.47Å; F47-L123 HydrophobicContact CD2-CB 4.08Å; F47-L123 HydrophobicContact CE2-CB 4.25Å; L123-I131 CarbonylContact O-C 3.54Å; L123-I131 WeakPolarHBondContact O-CA 3.43Å; L123-I131 WeakPolarHBondContact O-CB 3.28Å; L123-A132 HydrophobicContact CB-CB 4.25Å; L123-A132 PolarHBondContact N-O 2.63Å; L123-A132 PolarHBondContact O-N 2.97Å; L123-L134 HydrophobicContact CD1-CD1 3.9Å; L123-L134 HydrophobicContact CD1-CG 4.46Å; L123-L134 HydrophobicContact CG-CD1 4.22Å
124	E	96.2	Very high	95.3	Very high	108 Å²	108	63.1 Å²	63.1	51%	0.505	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.1	179.7	-57.4	-178.7	-171.8	0	0	110.8	I131	E124-I131 HydrophobicContact CB-CG2 4.34Å; E124-I131 HydrophobicContact CG-CG2 3.93Å
125	H	96.6	Very high	96.2	Very high	19 Å²	19	53 Å²	53	9%	0.088	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	82.6	171.5	-168.5	-78.2	0	0	0	110.5	P39 F47 R127 Q128 E129 Q130	P39-H125 WeakPolarHBondContact CB-NE2 3.25Å; P39-H125 WeakPolarHBondContact CG-NE2 3.17Å; F47-H125 HydrophobicContact CB-CB 4.49Å; F47-H125 HydrophobicContact CD1-CB 3.73Å; F47-H125 HydrophobicContact CD2-CB 3.7Å; F47-H125 HydrophobicContact CE1-CB 3.76Å; F47-H125 HydrophobicContact CE2-CB 3.7Å; F47-H125 HydrophobicContact CG-CB 3.72Å; F47-H125 HydrophobicContact CZ-CB 3.75Å; H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.72Å; H125-R127 VanDerWaalsContact O-N 3.14Å; H125-Q128 PolarHBondContact CE1-OE1 3.19Å; H125-Q128 VanDerWaalsContact CE1-OE1 3.28Å; H125-Q128 VanDerWaalsContact ND1-CB 3.29Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.41Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.46Å; H125-Q128 PolarHBondContact ND1-N 3.49Å; H125-Q128 VanDerWaalsContact ND1-N 3.12Å; H125-Q128 PolarHBondContact O-N 2.97Å; H125-E129 PolarHBondContact O-N 3.3Å; H125-E129 VanDerWaalsContact O-N 3.11Å; H125-Q130 PolarHBondContact N-O 2.99Å; H125-Q130 PolarHBondContact O-N 3.02Å
126	P	95.3	Very high	96.6	Very high	91 Å²	91	53.5 Å²	53.5	59%	0.591	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34	-171.6	-28.2	35.9	0	0	0	114.6	Q128 E129	P126-Q128 VanDerWaalsContact C-N 3.29Å; P126-Q128 PolarHBondContact O-N 2.85Å; P126-E129 PolarHBondContact O-N 2.82Å
127	R	94.5	Very high	96.7	Very high	232 Å²	232	57.1 Å²	57.1	88%	0.875	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-67.6	-25.6	179.3	-70.1	-173.1	68.5	-140.7	-1.5	114.1	H125	H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.72Å; H125-R127 VanDerWaalsContact O-N 3.14Å
128	Q	97	Very high	96.8	Very high	26 Å²	26	57.1 Å²	57.1	12%	0.121	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-99.4	-0.6	173.4	-76.8	162.7	-142.3	0	0	110.8	W49 K51 H125 P126 Q130	W49-Q128 PolarHBondContact O-NE2 2.84Å; W49-Q128 VanDerWaalsContact O-NE2 3.09Å; K51-Q128 PolarHBondContact O-NE2 3.13Å; H125-Q128 PolarHBondContact CE1-OE1 3.19Å; H125-Q128 VanDerWaalsContact CE1-OE1 3.28Å; H125-Q128 VanDerWaalsContact ND1-CB 3.29Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.41Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.46Å; H125-Q128 PolarHBondContact ND1-N 3.49Å; H125-Q128 VanDerWaalsContact ND1-N 3.12Å; H125-Q128 PolarHBondContact O-N 2.97Å; P126-Q128 VanDerWaalsContact C-N 3.29Å; P126-Q128 PolarHBondContact O-N 2.85Å; Q128-Q130 HydrophobicContact CB-CB 4.23Å; Q128-Q130 HydrophobicContact CB-CG 4.16Å; Q128-Q130 WeakPolarHBondContact O-CG 3.28Å; Q128-Q130 PolarHBondContact O-N 3.33Å
129	E	98.5	Very high	96.8	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	34.7	-174.2	-55.8	172.2	-174	0	0	112.7	H96 S97 H98 H125 P126 R188	H96-E129 CarbonylContact C-O 3.49Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.48Å; H96-E129 PolarHBondContact CD2-O 2.86Å; S97-E129 PolarHBondContact N-O 3.04Å; S97-E129 CarbonylContact O-C 3.6Å; H98-E129 HydrophobicContact CB-CB 4.3Å; H98-E129 HydrophobicContact CB-CG 4.4Å; H125-E129 PolarHBondContact O-N 3.3Å; H125-E129 VanDerWaalsContact O-N 3.11Å; P126-E129 PolarHBondContact O-N 2.82Å; E129-R188 WeakPolarHBondContact OE2-CD 3.49Å; E129-R188 IonicContact OE2-CZ 3.22Å; E129-R188 IonicContact OE2-NE 3.58Å; E129-R188 IonicContact OE2-NH1 2.82Å; E129-R188 PolarHBondContact OE2-NH1 2.89Å
130	Q	98.8	Very high	96.7	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.5	-173.9	-77.2	166.6	5.4	0	0	111.8	F47 K51 I52 L54 I94 L95 H125 Q128	F47-Q130 HydrophobicContact CE1-CB 4.19Å; F47-Q130 HydrophobicContact CZ-CB 3.92Å; K51-Q130 PolarHBondContact O-NE2 2.58Å; I52-Q130 PolarHBondContact O-NE2 2.78Å; L54-Q130 HydrophobicContact CD2-CG 4.15Å; I94-Q130 HydrophobicContact CG2-CB 4.34Å; I94-Q130 HydrophobicContact CG2-CG 4.22Å; L95-Q130 CarbonylContact O-C 3.52Å; L95-Q130 VanDerWaalsContact O-CA 3.3Å; L95-Q130 WeakPolarHBondContact O-CA 3.26Å; H125-Q130 PolarHBondContact N-O 2.99Å; H125-Q130 PolarHBondContact O-N 3.02Å; Q128-Q130 HydrophobicContact CB-CB 4.23Å; Q128-Q130 HydrophobicContact CB-CG 4.16Å; Q128-Q130 WeakPolarHBondContact O-CG 3.28Å; Q128-Q130 PolarHBondContact O-N 3.33Å
131	I	98.7	Very high	96.6	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.8	165.3	61.2	174.8	0	0	0	109.9	I94 L95 I102 V122 L123 E124 L133 P192	I94-I131 WeakPolarHBondContact CA-O 3.37Å; L95-I131 HydrophobicContact CD1-CD1 4.09Å; L95-I131 HydrophobicContact CD1-CG1 4.19Å; L95-I131 HydrophobicContact CD2-CG1 4.41Å; L95-I131 HydrophobicContact CG-CD1 4.24Å; L95-I131 HydrophobicContact CG-CG1 3.87Å; L95-I131 PolarHBondContact N-O 3.32Å; L95-I131 VanDerWaalsContact N-O 3.13Å; L95-I131 PolarHBondContact O-N 3.34Å; I102-I131 HydrophobicContact CG1-CD1 4.39Å; V122-I131 HydrophobicContact CG1-CB 4.41Å; L123-I131 CarbonylContact O-C 3.54Å; L123-I131 WeakPolarHBondContact O-CA 3.43Å; L123-I131 WeakPolarHBondContact O-CB 3.28Å; E124-I131 HydrophobicContact CB-CG2 4.34Å; E124-I131 HydrophobicContact CG-CG2 3.93Å; I131-L133 HydrophobicContact CD1-CD2 4.18Å; I131-P192 HydrophobicContact CD1-CB 4.24Å
132	A	98.7	Very high	96.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.4	172.3	0	0	0	0	0	109.3	F47 P48 T92 I93 I94 V122 L123 L134	F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.56Å; F47-A132 HydrophobicContact CZ-CB 3.86Å; P48-A132 HydrophobicContact CG-CB 3.6Å; T92-A132 HydrophobicContact CG2-CB 4.19Å; I93-A132 CarbonylContact O-C 3.51Å; I93-A132 WeakPolarHBondContact O-CA 3.17Å; I94-A132 HydrophobicContact CD1-CB 3.48Å; I94-A132 VanDerWaalsContact CD1-CB 3.48Å; V122-A132 WeakPolarHBondContact CA-O 3.41Å; L123-A132 HydrophobicContact CB-CB 4.25Å; L123-A132 PolarHBondContact N-O 2.63Å; L123-A132 PolarHBondContact O-N 2.97Å; A132-L134 HydrophobicContact CB-CD2 4.46Å
133	L	98.6	Very high	96.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.4	174.7	-48.9	179.6	0	0	0	108.6	T92 I93 L95 A105 L120 Q121 V122 I131 V147 I149	T92-L133 WeakPolarHBondContact CA-O 3.41Å; I93-L133 HydrophobicContact CB-CB 4.26Å; I93-L133 PolarHBondContact N-O 3.28Å; I93-L133 PolarHBondContact O-N 3.35Å; L95-L133 HydrophobicContact CD2-CD1 3.68Å; L95-L133 HydrophobicContact CD2-CG 4.07Å; A105-L133 HydrophobicContact CB-CD2 4.05Å; L120-L133 HydrophobicContact CB-CB 4.18Å; L120-L133 HydrophobicContact CD1-CB 3.91Å; L120-L133 HydrophobicContact CD1-CD1 3.95Å; L120-L133 HydrophobicContact CD2-CB 4.47Å; L120-L133 HydrophobicContact CG-CB 4.42Å; Q121-L133 CarbonylContact O-C 3.53Å; Q121-L133 WeakPolarHBondContact O-CA 3.35Å; V122-L133 HydrophobicContact CB-CD2 4.36Å; V122-L133 HydrophobicContact CG1-CD2 4.11Å; V122-L133 HydrophobicContact CG2-CD2 3.81Å; I131-L133 HydrophobicContact CD1-CD2 4.18Å; L133-V147 HydrophobicContact CD1-CG1 3.39Å; L133-I149 HydrophobicContact CD1-CD1 4.05Å; L133-I149 HydrophobicContact CD1-CG1 4.46Å
134	L	98	Very high	96.3	Very high	45 Å²	45	58.3 Å²	58.3	24%	0.236	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.9	-177.3	-46.1	-180	0	0	0	110	P48 T92 L120 Q121 L123 A132	P48-L134 HydrophobicContact CG-CD2 4.26Å; T92-L134 HydrophobicContact CG2-CD2 3.93Å; L120-L134 WeakPolarHBondContact CA-O 3.46Å; L120-L134 WeakPolarHBondContact CD2-O 3.45Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.42Å; Q121-L134 HydrophobicContact CB-CG 4.49Å; Q121-L134 HydrophobicContact CG-CD1 4.39Å; Q121-L134 PolarHBondContact N-O 2.95Å; Q121-L134 VanDerWaalsContact N-O 3.13Å; Q121-L134 PolarHBondContact O-N 2.79Å; L123-L134 HydrophobicContact CD1-CD1 3.9Å; L123-L134 HydrophobicContact CD1-CG 4.46Å; L123-L134 HydrophobicContact CG-CD1 4.22Å; A132-L134 HydrophobicContact CB-CD2 4.46Å
135	A	96.9	Very high	96.4	Very high	11 Å²	11	53.7 Å²	53.7	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.9	173.8	0	0	0	0	0	111	S91 L107 L120 E137 L139	S91-A135 PolarHBondContact O-N 3.49Å; L107-A135 HydrophobicContact CD2-CB 4.1Å; L120-A135 HydrophobicContact CD2-CB 3.78Å; A135-E137 VanDerWaalsContact C-N 3.32Å; A135-E137 WeakPolarHBondContact CB-O 3.42Å; A135-L139 HydrophobicContact CB-CD1 3.93Å
136	P	94.2	Very high	96.4	Very high	87 Å²	87	54.9 Å²	54.9	57%	0.565	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	-31.8	178.2	28.9	-34.7	0	0	0	112.3	E118	E118-P136 HydrophobicContact CB-CG 4.29Å; E118-P136 HydrophobicContact CG-CG 4.48Å; E118-P136 VanDerWaalsContact OE2-CG 3.25Å; E118-P136 WeakPolarHBondContact OE2-CG 3.42Å
137	E	93.4	Very high	96.6	Very high	129 Å²	129	50.6 Å²	50.6	60%	0.603	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.6	176.9	-64.7	-171.5	-179	0	0	111.2	A135 L139	A135-E137 VanDerWaalsContact C-N 3.32Å; A135-E137 WeakPolarHBondContact CB-O 3.42Å; E137-L139 PolarHBondContact O-N 3.17Å
138	P	95.9	Very high	96.8	Very high	75 Å²	75	39.6 Å²	39.6	49%	0.487	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.5	173.1	-21.1	32.1	0	0	0	112.4	S91 L140	S91-P138 WeakPolarHBondContact OG-CA 3.25Å; P138-L140 PolarHBondContact O-N 3.3Å
139	L	95.6	Very high	96.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	134.2	169.4	-80	69.2	0	0	0	109.5	I84 A86 T90 I93 L107 A135 E137 Y145	I84-L139 HydrophobicContact CD1-CD2 3.96Å; A86-L139 HydrophobicContact CB-CB 4.22Å; A86-L139 HydrophobicContact CB-CD2 4.46Å; T90-L139 WeakPolarHBondContact O-CB 3.21Å; T90-L139 WeakPolarHBondContact O-CD1 3.47Å; T90-L139 PolarHBondContact O-N 3.01Å; I93-L139 HydrophobicContact CD1-CD2 4.11Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; L107-L139 HydrophobicContact CD2-CD1 3.85Å; L107-L139 HydrophobicContact CD2-CG 4.27Å; A135-L139 HydrophobicContact CB-CD1 3.93Å; E137-L139 PolarHBondContact O-N 3.17Å; L139-Y145 HydrophobicContact CB-CE2 4.04Å; L139-Y145 HydrophobicContact CD2-CD2 4.1Å; L139-Y145 HydrophobicContact CD2-CE2 4.41Å; L139-Y145 HydrophobicContact CD2-CG 4.28Å; L139-Y145 HydrophobicContact CG-CD1 4.44Å; L139-Y145 HydrophobicContact CG-CD2 4.2Å; L139-Y145 HydrophobicContact CG-CE1 4.26Å; L139-Y145 HydrophobicContact CG-CE2 4.06Å; L139-Y145 HydrophobicContact CG-CG 4.39Å
140	L	94	Very high	96.9	Very high	90 Å²	90	39.4 Å²	39.4	47%	0.471	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-80.3	134.3	176.4	-63.1	177.5	0	0	0	109.8	P138 G142 L143 Y145	P138-L140 PolarHBondContact O-N 3.3Å; L140-G142 PolarHBondContact O-N 3.07Å; L140-L143 HydrophobicContact CB-CB 4.49Å; L140-L143 HydrophobicContact CB-CD1 3.74Å; L140-L143 HydrophobicContact CB-CG 4.04Å; L140-L143 HydrophobicContact CD1-CD1 3.67Å; L140-L143 HydrophobicContact CG-CD1 4.33Å; L140-L143 PolarHBondContact O-N 2.89Å; L140-Y145 PolarHBondContact N-OH 2.75Å
141	V	96.9	Very high	96.9	Very high	76 Å²	76	39.5 Å²	39.5	46%	0.461	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	134.9	-177.8	178.2	0	0	0	0	111.1	A86 P89 L143	A86-V141 CarbonylContact O-C 3.58Å; A86-V141 WeakPolarHBondContact O-CA 3.22Å; P89-V141 VanDerWaalsContact CD-CG2 3.49Å; P89-V141 HydrophobicContact CG-CG2 3.82Å; V141-L143 PolarHBondContact O-N 2.77Å; V141-L143 VanDerWaalsContact O-N 3.15Å
142	G	93.6	Very high	96.9	Very high	54 Å²	54	40.3 Å²	40.3	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-3.7	174.9	0	0	0	0	0	115.6	A86 L140	A86-G142 PolarHBondContact O-N 3.04Å; L140-G142 PolarHBondContact O-N 3.07Å
143	L	94.8	Very high	96.9	Very high	71 Å²	71	40.8 Å²	40.8	37%	0.372	25%	0.246	S	C	.	.			trans	-83.4	142.2	173.6	-63.4	-168.5	0	0	0	111	L140 V141 Y145	L140-L143 HydrophobicContact CB-CB 4.49Å; L140-L143 HydrophobicContact CB-CD1 3.74Å; L140-L143 HydrophobicContact CB-CG 4.04Å; L140-L143 HydrophobicContact CD1-CD1 3.67Å; L140-L143 HydrophobicContact CG-CD1 4.33Å; L140-L143 PolarHBondContact O-N 2.89Å; V141-L143 PolarHBondContact O-N 2.77Å; V141-L143 VanDerWaalsContact O-N 3.15Å; L143-Y145 HydrophobicContact CB-CE2 3.89Å; L143-Y145 VanDerWaalsContact O-CD2 3.29Å; L143-Y145 WeakPolarHBondContact O-CD2 3.46Å
144	P	96	Very high	96.9	Very high	69 Å²	69	46.5 Å²	46.5	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.8	173.1	31.2	-33.6	0	0	0	110.6	I84	I84-P144 WeakPolarHBondContact O-CA 3.29Å
145	Y	97.6	Very high	97	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.6	171.4	-69.4	-97.7	0	0	0	109.3	E83 I84 L107 R108 K109 L139 L140 L143	E83-Y145 CarbonylContact C-O 3.6Å; E83-Y145 VanDerWaalsContact CA-O 3.3Å; E83-Y145 WeakPolarHBondContact CA-O 3.3Å; I84-Y145 PolarHBondContact N-O 2.92Å; I84-Y145 PolarHBondContact O-N 2.97Å; L107-Y145 HydrophobicContact CD1-CD1 4.05Å; L107-Y145 HydrophobicContact CD1-CG 4.31Å; L107-Y145 HydrophobicContact CD2-CD1 3.9Å; L107-Y145 HydrophobicContact CD2-CE1 4.2Å; L107-Y145 HydrophobicContact CG-CD1 3.91Å; R108-Y145 WeakPolarHBondContact O-CA 3.43Å; K109-Y145 HydrophobicContact CB-CD1 4.05Å; K109-Y145 HydrophobicContact CB-CE1 3.99Å; K109-Y145 HydrophobicContact CD-CE1 3.82Å; K109-Y145 HydrophobicContact CG-CD1 4.28Å; K109-Y145 HydrophobicContact CG-CE1 3.89Å; L139-Y145 HydrophobicContact CB-CE2 4.04Å; L139-Y145 HydrophobicContact CD2-CD2 4.1Å; L139-Y145 HydrophobicContact CD2-CE2 4.41Å; L139-Y145 HydrophobicContact CD2-CG 4.28Å; L139-Y145 HydrophobicContact CG-CD1 4.44Å; L139-Y145 HydrophobicContact CG-CD2 4.2Å; L139-Y145 HydrophobicContact CG-CE1 4.26Å; L139-Y145 HydrophobicContact CG-CE2 4.06Å; L139-Y145 HydrophobicContact CG-CG 4.39Å; L140-Y145 PolarHBondContact N-OH 2.75Å; L143-Y145 HydrophobicContact CB-CE2 3.89Å; L143-Y145 VanDerWaalsContact O-CD2 3.29Å; L143-Y145 WeakPolarHBondContact O-CD2 3.46Å
146	T	98.4	Very high	97	Very high	43 Å²	43	45 Å²	45	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.2	171.4	-50.3	0	0	0	0	109.8	K81 V82 R108 V148	K81-T146 HydrophobicContact CB-CG2 3.8Å; V82-T146 CarbonylContact O-C 3.55Å; V82-T146 WeakPolarHBondContact O-CA 3.21Å; R108-T146 PolarHBondContact N-O 3.07Å; R108-T146 PolarHBondContact O-N 2.9Å; T146-V148 HydrophobicContact CG2-CG2 4.19Å
147	V	98.7	Very high	97.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.6	170.9	-177.3	0	0	0	0	108	K81 V82 I84 I93 T106 L107 L120 L133 I149	K81-V147 CarbonylContact C-O 3.46Å; K81-V147 VanDerWaalsContact CA-O 3.25Å; K81-V147 WeakPolarHBondContact CA-O 3.21Å; V82-V147 HydrophobicContact CG1-CB 3.72Å; V82-V147 HydrophobicContact CG1-CG1 4.46Å; V82-V147 HydrophobicContact CG1-CG2 4.32Å; V82-V147 PolarHBondContact N-O 2.93Å; V82-V147 PolarHBondContact O-N 2.95Å; I84-V147 HydrophobicContact CD1-CG2 3.57Å; I84-V147 HydrophobicContact CG1-CG2 4.13Å; I93-V147 HydrophobicContact CD1-CG2 3.68Å; T106-V147 WeakPolarHBondContact O-CA 3.37Å; L107-V147 HydrophobicContact CD1-CG2 3.88Å; L120-V147 HydrophobicContact CD1-CG1 4Å; L133-V147 HydrophobicContact CD1-CG1 3.39Å; V147-I149 HydrophobicContact CG1-CD1 4.01Å; V147-I149 HydrophobicContact CG1-CG1 3.81Å
148	V	98.8	Very high	97.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.4	177	-177	0	0	0	0	109.2	T79 T80 K81 A105 T106 R108 T146	T79-V148 HydrophobicContact CG2-CG1 4.19Å; T80-V148 CarbonylContact O-C 3.52Å; T80-V148 WeakPolarHBondContact O-CA 3.33Å; K81-V148 HydrophobicContact CB-CG2 4.35Å; K81-V148 HydrophobicContact CD-CG2 4.38Å; K81-V148 HydrophobicContact CG-CG1 4.17Å; K81-V148 HydrophobicContact CG-CG2 3.98Å; A105-V148 CarbonylContact C-O 3.52Å; A105-V148 VanDerWaalsContact CA-O 3.27Å; A105-V148 WeakPolarHBondContact CA-O 3.35Å; T106-V148 PolarHBondContact N-O 2.91Å; T106-V148 PolarHBondContact O-N 2.89Å; R108-V148 HydrophobicContact CG-CG2 4.35Å; T146-V148 HydrophobicContact CG2-CG2 4.19Å
149	I	98.9	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123	-176.3	-48	173.9	0	0	0	108.8	T79 T80 L95 I102 R104 L133 V147 Y151 P192	T79-I149 CarbonylContact C-O 3.59Å; T79-I149 WeakPolarHBondContact CA-O 3.19Å; T80-I149 PolarHBondContact N-O 3.03Å; T80-I149 PolarHBondContact O-N 2.9Å; L95-I149 HydrophobicContact CD1-CD1 4.15Å; L95-I149 HydrophobicContact CD2-CD1 4.5Å; I102-I149 HydrophobicContact CD1-CG2 3.99Å; I102-I149 HydrophobicContact CG2-CG2 3.73Å; R104-I149 WeakPolarHBondContact O-CA 3.32Å; L133-I149 HydrophobicContact CD1-CD1 4.05Å; L133-I149 HydrophobicContact CD1-CG1 4.46Å; V147-I149 HydrophobicContact CG1-CD1 4.01Å; V147-I149 HydrophobicContact CG1-CG1 3.81Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; I149-P192 HydrophobicContact CD1-CB 3.91Å; I149-P192 HydrophobicContact CD1-CG 4.41Å; I149-P192 HydrophobicContact CG2-CG 4.13Å
150	H	98.9	Very high	97.5	Very high	57 Å²	57	47.4 Å²	47.4	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.8	171.4	-60.6	-83.7	0	0	0	109.4	T79 S103 R104	T79-H150 PolarHBondContact OG1-ND1 2.98Å; S103-H150 PolarHBondContact N-O 2.88Å; S103-H150 WeakPolarHBondContact OG-CB 3.27Å; S103-H150 PolarHBondContact OG-O 2.83Å; R104-H150 HydrophobicContact CB-CB 4.28Å; R104-H150 PolarHBondContact N-O 2.86Å; R104-H150 PolarHBondContact O-N 2.99Å
151	Y	98.9	Very high	97.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	166.2	-174.1	62.9	-84.7	0	0	0	112.2	I67 F76 G78 T80 L100 Q101 I102 I149 A190 F191 P192	I67-Y151 VanDerWaalsContact CD1-OH 3.29Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.49Å; F76-Y151 AromaticContact CE2-CE2 3.96Å; F76-Y151 HydrophobicContact CE2-CE2 3.96Å; G78-Y151 VanDerWaalsContact C-CE1 3.48Å; G78-Y151 VanDerWaalsContact CA-CZ 3.47Å; G78-Y151 PolarHBondContact N-O 2.84Å; G78-Y151 PolarHBondContact O-N 2.81Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.5Å; L100-Y151 HydrophobicContact CB-CD2 4.36Å; L100-Y151 HydrophobicContact CD1-CD2 3.93Å; L100-Y151 HydrophobicContact CD1-CE2 4.01Å; L100-Y151 HydrophobicContact CD2-CD2 3.98Å; L100-Y151 HydrophobicContact CD2-CE2 4.21Å; L100-Y151 HydrophobicContact CG-CD2 4.32Å; Q101-Y151 CarbonylContact O-C 3.54Å; Q101-Y151 WeakPolarHBondContact O-CA 3.36Å; Q101-Y151 WeakPolarHBondContact O-CB 3.29Å; I102-Y151 HydrophobicContact CD1-CG 4.43Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; Y151-A190 WeakPolarHBondContact CE2-O 3.25Å; Y151-A190 PolarHBondContact OH-O 3.38Å; Y151-F191 WeakPolarHBondContact OH-CA 3.26Å; Y151-F191 WeakPolarHBondContact OH-CB 3.47Å; Y151-P192 HydrophobicContact CD1-CG 4.12Å; Y151-P192 VanDerWaalsContact CE1-CD 3.48Å; Y151-P192 HydrophobicContact CE1-CG 4.4Å; Y151-P192 HydrophobicContact CG-CG 4.39Å
152	A	98.9	Very high	97.8	Very high	22 Å²	22	39.6 Å²	39.6	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.3	172.2	0	0	0	0	0	110.4	F76 Q101	F76-A152 CarbonylContact O-C 3.58Å; F76-A152 VanDerWaalsContact O-CA 3.31Å; F76-A152 WeakPolarHBondContact O-CA 3.44Å; Q101-A152 PolarHBondContact N-O 2.86Å; Q101-A152 PolarHBondContact O-N 2.85Å
153	G	98.6	Very high	98.1	Very high	9 Å²	9	37 Å²	37	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	169.9	175	0	0	0	0	0	111.2	F76	F76-G153 VanDerWaalsContact CD1-O 3.31Å; F76-G153 WeakPolarHBondContact CD1-O 3.44Å; F76-G153 VanDerWaalsContact CE1-C 3.5Å; F76-G153 PolarHBondContact N-O 3.21Å; F76-G153 PolarHBondContact O-N 3.21Å
154	N	98.8	Very high	98.2	Very high	121 Å²	121	35.9 Å²	35.9	65%	0.647	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	145	168.9	-62.6	-30.3	0	0	0	108.6	F76 S156	F76-N154 WeakPolarHBondContact CE1-O 3.36Å; N154-S156 PolarHBondContact O-N 2.79Å
155	L	98.8	Very high	98.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-57	131.5	168.1	-66.6	-180	0	0	0	108.4	L74 F76 F162 K164 A178	L74-L155 HydrophobicContact CD2-CD1 4.17Å; L74-L155 PolarHBondContact O-N 2.91Å; F76-L155 HydrophobicContact CD1-CD2 4.14Å; L155-F162 WeakPolarHBondContact CA-O 3.49Å; L155-F162 HydrophobicContact CD2-CD1 3.46Å; L155-F162 VanDerWaalsContact CD2-CD1 3.46Å; L155-F162 HydrophobicContact CD2-CD2 4.12Å; L155-F162 HydrophobicContact CD2-CE1 3.47Å; L155-F162 VanDerWaalsContact CD2-CE1 3.47Å; L155-F162 HydrophobicContact CD2-CE2 4.12Å; L155-F162 HydrophobicContact CD2-CG 3.79Å; L155-F162 HydrophobicContact CD2-CZ 3.81Å; L155-K164 HydrophobicContact CB-CB 4.33Å; L155-K164 HydrophobicContact CD1-CB 4.49Å; L155-A178 HydrophobicContact CD1-CB 3.9Å; L155-A178 HydrophobicContact CD2-CB 4.05Å
156	S	98.5	Very high	98.4	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-63.7	142.4	178.6	-173.1	0	0	0	0	110.6	N154 T158 H160 F162 Y163 K164	N154-S156 PolarHBondContact O-N 2.79Å; S156-T158 VanDerWaalsContact C-N 3.33Å; S156-T158 PolarHBondContact OG-N 2.7Å; S156-T158 VanDerWaalsContact OG-N 3.08Å; S156-T158 PolarHBondContact OG-OG1 2.84Å; S156-H160 WeakPolarHBondContact CB-O 3.39Å; S156-H160 PolarHBondContact OG-O 2.77Å; S156-F162 PolarHBondContact N-O 2.94Å; S156-Y163 WeakPolarHBondContact O-CA 3.42Å; S156-Y163 WeakPolarHBondContact O-CB 3.41Å; S156-K164 PolarHBondContact O-N 3.14Å
157	E	97.6	Very high	98.4	Very high	126 Å²	126	33 Å²	33	59%	0.589	17%	0.171	S	C	*	.	S	Bend	trans	-91.3	-1.2	170.2	-64.3	-68.9	154.4	0	0	111.5	K164	E157-K164 IonicContact OE1-NZ 3.04Å; E157-K164 PolarHBondContact OE1-NZ 3.44Å; E157-K164 WeakPolarHBondContact OE2-CE 3.14Å; E157-K164 IonicContact OE2-NZ 2.78Å; E157-K164 PolarHBondContact OE2-NZ 2.91Å
158	T	96.9	Very high	98.4	Very high	58 Å²	58	41.2 Å²	41.2	36%	0.356	20%	0.202	S	C	.	.	S	Bend	trans	-91	-174	171	74.6	0	0	0	0	110.4	S156 H160 Y163	S156-T158 VanDerWaalsContact C-N 3.33Å; S156-T158 PolarHBondContact OG-N 2.7Å; S156-T158 VanDerWaalsContact OG-N 3.08Å; S156-T158 PolarHBondContact OG-OG1 2.84Å; T158-H160 PolarHBondContact OG1-CE1 2.94Å; T158-H160 PolarHBondContact OG1-N 2.92Å; T158-H160 PolarHBondContact OG1-ND1 3.03Å; T158-H160 PolarHBondContact OG1-NE2 3.47Å; T158-H160 PolarHBondContact OG1-O 3.41Å; T158-Y163 VanDerWaalsContact O-CB 3.25Å; T158-Y163 WeakPolarHBondContact O-CB 3.39Å
159	F	96.9	Very high	98.4	Very high	90 Å²	90	41.8 Å²	41.8	40%	0.395	21%	0.205	S	C	.	.	S	Bend	trans	-99	20.5	177.7	-52	-68.7	0	0	0	113.7	Q181 D313 Q315	F159-Q181 WeakPolarHBondContact O-CB 3.44Å; F159-D313 HydrophobicContact CD1-CB 4.35Å; F159-D313 HydrophobicContact CE1-CB 4.07Å; F159-Q315 HydrophobicContact CB-CB 3.44Å; F159-Q315 VanDerWaalsContact CB-CB 3.44Å; F159-Q315 HydrophobicContact CB-CG 4.5Å; F159-Q315 HydrophobicContact CD2-CB 3.96Å; F159-Q315 HydrophobicContact CD2-CG 4.46Å; F159-Q315 HydrophobicContact CG-CB 3.87Å
160	H	97.3	Very high	98.2	Very high	67 Å²	67	49 Å²	49	31%	0.31	24%	0.237	S	C	.	.	S	Bend	trans	-141.2	165.3	179.3	60.1	-99	0	0	0	112	S156 T158 Q181 A186 M189	S156-H160 WeakPolarHBondContact CB-O 3.39Å; S156-H160 PolarHBondContact OG-O 2.77Å; T158-H160 PolarHBondContact OG1-CE1 2.94Å; T158-H160 PolarHBondContact OG1-N 2.92Å; T158-H160 PolarHBondContact OG1-ND1 3.03Å; T158-H160 PolarHBondContact OG1-NE2 3.47Å; T158-H160 PolarHBondContact OG1-O 3.41Å; H160-Q181 CarbonylContact C-O 3.55Å; H160-Q181 WeakPolarHBondContact CA-O 3.17Å; H160-A186 HydrophobicContact CB-CB 4.14Å; H160-M189 VanDerWaalsContact CD2-SD 3.57Å
161	G	98.6	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-148.6	-168.6	0	0	0	0	0	110.4	T180 Q181 F182	G161-T180 WeakPolarHBondContact O-CA 3.47Å; G161-Q181 PolarHBondContact N-O 3.39Å; G161-Q181 PolarHBondContact O-N 3.15Å; G161-F182 WeakPolarHBondContact O-CE1 3.22Å
162	F	98.9	Very high	98	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.4	169.1	-176	-149.2	0	0	0	108.5	I67 A69 F76 L155 S156 A178 S179 T180 A190 F249 I251	I67-F162 HydrophobicContact CG2-CD1 4.49Å; I67-F162 HydrophobicContact CG2-CE1 3.83Å; I67-F162 HydrophobicContact CG2-CZ 4.41Å; A69-F162 HydrophobicContact CB-CE1 3.7Å; A69-F162 HydrophobicContact CB-CZ 3.72Å; F76-F162 HydrophobicContact CB-CD1 4.31Å; F76-F162 HydrophobicContact CB-CE1 4.01Å; F76-F162 AromaticContact CD1-CD1 3.85Å; F76-F162 HydrophobicContact CD1-CD1 3.85Å; F76-F162 HydrophobicContact CD1-CE1 4.36Å; F76-F162 HydrophobicContact CD2-CD1 4.09Å; F76-F162 HydrophobicContact CD2-CE1 4.43Å; F76-F162 HydrophobicContact CE1-CD1 4.11Å; F76-F162 HydrophobicContact CE2-CD1 4.32Å; F76-F162 AromaticContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CE1 4.04Å; F76-F162 HydrophobicContact CZ-CD1 4.34Å; L155-F162 WeakPolarHBondContact CA-O 3.49Å; L155-F162 HydrophobicContact CD2-CD1 3.46Å; L155-F162 VanDerWaalsContact CD2-CD1 3.46Å; L155-F162 HydrophobicContact CD2-CD2 4.12Å; L155-F162 HydrophobicContact CD2-CE1 3.47Å; L155-F162 VanDerWaalsContact CD2-CE1 3.47Å; L155-F162 HydrophobicContact CD2-CE2 4.12Å; L155-F162 HydrophobicContact CD2-CG 3.79Å; L155-F162 HydrophobicContact CD2-CZ 3.81Å; S156-F162 PolarHBondContact N-O 2.94Å; F162-A178 HydrophobicContact CD2-CB 4.35Å; F162-A178 HydrophobicContact CE2-CB 3.48Å; F162-A178 VanDerWaalsContact CE2-CB 3.48Å; F162-A178 HydrophobicContact CZ-CB 3.72Å; F162-S179 WeakPolarHBondContact CD2-O 3.36Å; F162-T180 HydrophobicContact CB-CG2 4.34Å; F162-T180 HydrophobicContact CD2-CG2 3.72Å; F162-T180 HydrophobicContact CE2-CG2 4.43Å; F162-T180 HydrophobicContact CG-CG2 4.35Å; F162-A190 HydrophobicContact CB-CB 3.82Å; F162-F249 HydrophobicContact CD1-CE2 4.03Å; F162-F249 HydrophobicContact CD2-CD2 4.2Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.02Å; F162-F249 AromaticContact CE2-CD2 3.86Å; F162-F249 HydrophobicContact CE2-CD2 3.86Å; F162-F249 AromaticContact CE2-CE2 3.65Å; F162-F249 HydrophobicContact CE2-CE2 3.65Å; F162-F249 AromaticContact CG-CE2 3.85Å; F162-F249 HydrophobicContact CG-CE2 3.85Å; F162-F249 HydrophobicContact CZ-CD2 4.17Å; F162-F249 AromaticContact CZ-CE2 3.84Å; F162-F249 HydrophobicContact CZ-CE2 3.84Å; F162-I251 HydrophobicContact CZ-CD1 4.17Å
163	Y	98.8	Very high	98	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.4	-163.4	70.1	-86.6	0	0	0	112.8	S156 T158 A178 S179 Q181 D313 F314	S156-Y163 WeakPolarHBondContact O-CA 3.42Å; S156-Y163 WeakPolarHBondContact O-CB 3.41Å; T158-Y163 VanDerWaalsContact O-CB 3.25Å; T158-Y163 WeakPolarHBondContact O-CB 3.39Å; Y163-A178 CarbonylContact O-C 3.59Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.38Å; Y163-S179 WeakPolarHBondContact CD1-O 3.4Å; Y163-S179 WeakPolarHBondContact CE1-O 3.31Å; Y163-S179 PolarHBondContact N-O 3.14Å; Y163-S179 PolarHBondContact O-N 3.14Å; Y163-Q181 HydrophobicContact CE1-CB 3.87Å; Y163-D313 WeakPolarHBondContact CE2-O 3.47Å; Y163-D313 PolarHBondContact OH-O 3.28Å; Y163-F314 VanDerWaalsContact OH-CD2 3.31Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.48Å
164	K	98.6	Very high	97.9	Very high	46 Å²	46	62.8 Å²	62.8	20%	0.2	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135	175.1	-179.5	-167.2	71.5	-157.8	0	110	L74 L155 S156 E157 T166 I176	L74-K164 HydrophobicContact CD1-CD 3.75Å; L74-K164 HydrophobicContact CD2-CD 3.65Å; L74-K164 HydrophobicContact CD2-CG 4.11Å; L74-K164 HydrophobicContact CG-CD 4.34Å; L155-K164 HydrophobicContact CB-CB 4.33Å; L155-K164 HydrophobicContact CD1-CB 4.49Å; S156-K164 PolarHBondContact O-N 3.14Å; E157-K164 IonicContact OE1-NZ 3.04Å; E157-K164 PolarHBondContact OE1-NZ 3.44Å; E157-K164 WeakPolarHBondContact OE2-CE 3.14Å; E157-K164 IonicContact OE2-NZ 2.78Å; E157-K164 PolarHBondContact OE2-NZ 2.91Å; K164-T166 HydrophobicContact CD-CG2 4.4Å; K164-T166 HydrophobicContact CG-CG2 4.41Å; K164-I176 HydrophobicContact CD-CG2 4.32Å; K164-I176 HydrophobicContact CG-CG2 3.79Å
165	S	98.7	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.2	164.7	171.9	0	0	0	0	109.9	L177 D313	S165-L177 PolarHBondContact N-O 3.11Å; S165-L177 PolarHBondContact O-N 3.03Å; S165-L177 VanDerWaalsContact O-O 3.08Å; S165-D313 VanDerWaalsContact CA-OD2 3.29Å; S165-D313 WeakPolarHBondContact CA-OD2 3.48Å; S165-D313 WeakPolarHBondContact CB-OD2 3.39Å; S165-D313 WeakPolarHBondContact OG-CB 3.3Å; S165-D313 PolarHBondContact OG-N 3Å; S165-D313 VanDerWaalsContact OG-N 3.14Å; S165-D313 PolarHBondContact OG-OD2 3.02Å
166	T	98.6	Very high	97.9	Very high	44 Å²	44	62.4 Å²	62.4	27%	0.27	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.9	-177.4	67.3	0	0	0	0	112	K164 L174 R175 I176 P312 D313	K164-T166 HydrophobicContact CD-CG2 4.4Å; K164-T166 HydrophobicContact CG-CG2 4.41Å; T166-L174 HydrophobicContact CG2-CD1 4.46Å; T166-R175 WeakPolarHBondContact CA-O 3.29Å; T166-R175 WeakPolarHBondContact CB-O 3.42Å; T166-I176 HydrophobicContact CG2-CG1 4.17Å; T166-P312 WeakPolarHBondContact O-CB 3.19Å; T166-D313 PolarHBondContact N-OD2 2.68Å
167	Y	98.6	Very high	97.9	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.071	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.4	168.7	70.1	-86.3	0	0	0	110.5	T169 R175 L177 D253 V272 P312	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; Y167-R175 HydrophobicContact CD1-CB 3.82Å; Y167-R175 HydrophobicContact CD2-CB 4.26Å; Y167-R175 HydrophobicContact CE1-CB 3.36Å; Y167-R175 HydrophobicContact CE1-CG 4.18Å; Y167-R175 HydrophobicContact CE2-CB 3.85Å; Y167-R175 HydrophobicContact CE2-CG 3.92Å; Y167-R175 HydrophobicContact CG-CB 4.25Å; Y167-R175 PolarHBondContact N-O 3.06Å; Y167-R175 PolarHBondContact O-N 2.81Å; Y167-L177 HydrophobicContact CD1-CD2 3.91Å; Y167-L177 HydrophobicContact CE1-CD2 4.28Å; Y167-D253 WeakPolarHBondContact CE1-OD1 3.49Å; Y167-D253 PolarHBondContact OH-OD1 3.38Å; Y167-D253 PolarHBondContact OH-OD2 3.47Å; Y167-V272 HydrophobicContact CD1-CG1 3.56Å; Y167-V272 HydrophobicContact CD2-CB 4.08Å; Y167-V272 HydrophobicContact CD2-CG1 3.75Å; Y167-V272 HydrophobicContact CE1-CG1 3.73Å; Y167-V272 HydrophobicContact CE2-CB 3.98Å; Y167-V272 HydrophobicContact CE2-CG1 3.92Å; Y167-V272 HydrophobicContact CG-CB 4.4Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; Y167-P312 HydrophobicContact CD1-CG 4.35Å; Y167-P312 HydrophobicContact CG-CG 4.49Å
168	R	98.2	Very high	98	Very high	174 Å²	174	55.5 Å²	55.5	66%	0.657	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.8	173.7	-70	-174.8	175.8	-85	-0.3	110.4	G172 E173 L174	R168-G172 PolarHBondContact NH1-O 3.33Å; R168-E173 VanDerWaalsContact CA-O 3.27Å; R168-E173 WeakPolarHBondContact CA-O 3.45Å; R168-L174 HydrophobicContact CG-CD1 4.36Å
169	T	97.7	Very high	98.1	Very high	13 Å²	13	52.7 Å²	52.7	8%	0.08	25%	0.248	C	C	.	.			trans	-69.8	167.8	170.2	76.2	0	0	0	0	110.5	Y167 E171 G172 E173 R175	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; T169-E171 WeakPolarHBondContact CB-OE2 3.37Å; T169-E171 PolarHBondContact O-N 2.95Å; T169-E171 PolarHBondContact OG1-N 3.08Å; T169-E171 PolarHBondContact OG1-OE2 2.77Å; T169-G172 WeakPolarHBondContact O-CA 3.44Å; T169-G172 PolarHBondContact O-N 3.31Å; T169-E173 HydrophobicContact CG2-CB 4.06Å; T169-E173 PolarHBondContact N-O 3.39Å; T169-E173 PolarHBondContact OG1-N 2.93Å; T169-R175 HydrophobicContact CG2-CG 3.94Å
170	K	95.9	Very high	98.2	Very high	152 Å²	152	48.4 Å²	48.4	66%	0.661	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-32	172.2	-76.6	173.5	-173.2	131.3	0	113.6	G172 D274	K170-G172 PolarHBondContact O-N 3.2Å; K170-D274 VanDerWaalsContact CD-OD1 3.3Å; K170-D274 WeakPolarHBondContact CD-OD1 3.11Å; K170-D274 VanDerWaalsContact CE-OD1 3.29Å; K170-D274 WeakPolarHBondContact CE-OD1 3.38Å; K170-D274 HydrophobicContact CG-CB 4.5Å; K170-D274 PolarHBondContact N-OD2 2.82Å; K170-D274 IonicContact NZ-OD1 2.69Å; K170-D274 PolarHBondContact NZ-OD1 2.8Å
171	E	96.6	Very high	98.3	Very high	155 Å²	155	46.1 Å²	46.1	72%	0.724	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.8	177	-56.9	69.2	-145.6	0	0	112.9	T169	T169-E171 WeakPolarHBondContact CB-OE2 3.37Å; T169-E171 PolarHBondContact O-N 2.95Å; T169-E171 PolarHBondContact OG1-N 3.08Å; T169-E171 PolarHBondContact OG1-OE2 2.77Å
172	G	96.6	Very high	98.3	Very high	34 Å²	34	46.1 Å²	46.1	35%	0.351	22%	0.218	S	C	.	.			trans	90.1	4.7	177.3	0	0	0	0	0	115.1	R168 T169 K170	R168-G172 PolarHBondContact NH1-O 3.33Å; T169-G172 WeakPolarHBondContact O-CA 3.44Å; T169-G172 PolarHBondContact O-N 3.31Å; K170-G172 PolarHBondContact O-N 3.2Å
173	E	98	Very high	98.3	Very high	100 Å²	100	47 Å²	47	47%	0.467	22%	0.222	S	C	.	.			trans	-65.5	133.1	176.8	-169	-165.6	159	0	0	110.5	R168 T169 R175	R168-E173 VanDerWaalsContact CA-O 3.27Å; R168-E173 WeakPolarHBondContact CA-O 3.45Å; T169-E173 HydrophobicContact CG2-CB 4.06Å; T169-E173 PolarHBondContact N-O 3.39Å; T169-E173 PolarHBondContact OG1-N 2.93Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3Å; E173-R175 PolarHBondContact OE1-NE 3.37Å; E173-R175 IonicContact OE1-NH2 3.29Å; E173-R175 IonicContact OE2-CZ 2.75Å; E173-R175 IonicContact OE2-NE 2.59Å; E173-R175 PolarHBondContact OE2-NE 2.85Å; E173-R175 IonicContact OE2-NH2 3.86Å; E173-R175 PolarHBondContact OE2-NH2 2.8Å
174	L	98.3	Very high	98.2	Very high	92 Å²	92	47.7 Å²	47.7	48%	0.482	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.7	174.6	-176.7	69.9	0	0	0	109.8	T166 R168	T166-L174 HydrophobicContact CG2-CD1 4.46Å; R168-L174 HydrophobicContact CG-CD1 4.36Å
175	R	98.6	Very high	98.2	Very high	68 Å²	68	46 Å²	46	26%	0.257	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.9	173.6	-66.9	-72.5	178.6	75.3	12.1	110	T166 Y167 T169 E173 D253	T166-R175 WeakPolarHBondContact CA-O 3.29Å; T166-R175 WeakPolarHBondContact CB-O 3.42Å; Y167-R175 HydrophobicContact CD1-CB 3.82Å; Y167-R175 HydrophobicContact CD2-CB 4.26Å; Y167-R175 HydrophobicContact CE1-CB 3.36Å; Y167-R175 HydrophobicContact CE1-CG 4.18Å; Y167-R175 HydrophobicContact CE2-CB 3.85Å; Y167-R175 HydrophobicContact CE2-CG 3.92Å; Y167-R175 HydrophobicContact CG-CB 4.25Å; Y167-R175 PolarHBondContact N-O 3.06Å; Y167-R175 PolarHBondContact O-N 2.81Å; T169-R175 HydrophobicContact CG2-CG 3.94Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3Å; E173-R175 PolarHBondContact OE1-NE 3.37Å; E173-R175 IonicContact OE1-NH2 3.29Å; E173-R175 IonicContact OE2-CZ 2.75Å; E173-R175 IonicContact OE2-NE 2.59Å; E173-R175 PolarHBondContact OE2-NE 2.85Å; E173-R175 IonicContact OE2-NH2 3.86Å; E173-R175 PolarHBondContact OE2-NH2 2.8Å; R175-D253 IonicContact CZ-OD2 3.22Å; R175-D253 IonicContact NH1-OD2 3.25Å; R175-D253 PolarHBondContact NH1-OD2 2.87Å
176	I	98.8	Very high	98.2	Very high	51 Å²	51	46.2 Å²	46.2	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.7	-180	-61.8	171.2	0	0	0	107.8	L71 L74 K164 T166	L71-I176 HydrophobicContact CB-CG2 4.32Å; L71-I176 HydrophobicContact CD2-CG2 4.48Å; L71-I176 HydrophobicContact CG-CG2 4.37Å; L74-I176 HydrophobicContact CD2-CD1 4.47Å; L74-I176 HydrophobicContact CD2-CG2 4.25Å; K164-I176 HydrophobicContact CD-CG2 4.32Å; K164-I176 HydrophobicContact CG-CG2 3.79Å; T166-I176 HydrophobicContact CG2-CG1 4.17Å
177	L	98.8	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164	165	65.2	121.9	0	0	0	109.8	S165 Y167 I250 I251 F254 I311 P312	S165-L177 PolarHBondContact N-O 3.11Å; S165-L177 PolarHBondContact O-N 3.03Å; S165-L177 VanDerWaalsContact O-O 3.08Å; Y167-L177 HydrophobicContact CD1-CD2 3.91Å; Y167-L177 HydrophobicContact CE1-CD2 4.28Å; L177-I250 HydrophobicContact CD1-CG2 4.41Å; L177-I251 WeakPolarHBondContact CA-O 3.42Å; L177-I251 WeakPolarHBondContact CB-O 3.25Å; L177-F254 HydrophobicContact CD1-CZ 4.05Å; L177-F254 HydrophobicContact CD2-CE1 4Å; L177-F254 HydrophobicContact CD2-CZ 4.08Å; L177-I311 HydrophobicContact CD1-CG2 4.37Å; L177-P312 HydrophobicContact CD2-CG 3.98Å
178	A	98.9	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.5	170.6	0	0	0	0	0	109.4	L71 L155 F162 Y163 I250 I251	L71-A178 HydrophobicContact CD1-CB 4.28Å; L71-A178 HydrophobicContact CG-CB 4.47Å; L155-A178 HydrophobicContact CD1-CB 3.9Å; L155-A178 HydrophobicContact CD2-CB 4.05Å; F162-A178 HydrophobicContact CD2-CB 4.35Å; F162-A178 HydrophobicContact CE2-CB 3.48Å; F162-A178 VanDerWaalsContact CE2-CB 3.48Å; F162-A178 HydrophobicContact CZ-CB 3.72Å; Y163-A178 CarbonylContact O-C 3.59Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.38Å; A178-I250 WeakPolarHBondContact O-CA 3.48Å; A178-I251 PolarHBondContact N-O 2.95Å; A178-I251 PolarHBondContact O-N 2.79Å
179	S	98.8	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	167.2	-176.3	-169.4	0	0	0	0	110.8	F162 Y163	F162-S179 WeakPolarHBondContact CD2-O 3.36Å; Y163-S179 WeakPolarHBondContact CD1-O 3.4Å; Y163-S179 WeakPolarHBondContact CE1-O 3.31Å; Y163-S179 PolarHBondContact N-O 3.14Å; Y163-S179 PolarHBondContact O-N 3.14Å
180	T	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.3	-177.3	51	0	0	0	0	111.6	G161 F162 F182 A248 F249	G161-T180 WeakPolarHBondContact O-CA 3.47Å; F162-T180 HydrophobicContact CB-CG2 4.34Å; F162-T180 HydrophobicContact CD2-CG2 3.72Å; F162-T180 HydrophobicContact CE2-CG2 4.43Å; F162-T180 HydrophobicContact CG-CG2 4.35Å; T180-F182 HydrophobicContact CG2-CE1 3.76Å; T180-F182 HydrophobicContact CG2-CE2 4.16Å; T180-F182 HydrophobicContact CG2-CZ 3.38Å; T180-A248 VanDerWaalsContact OG1-CA 3.3Å; T180-A248 WeakPolarHBondContact OG1-CA 3.29Å; T180-F249 HydrophobicContact CG2-CD1 4.27Å; T180-F249 HydrophobicContact CG2-CD2 3.68Å; T180-F249 HydrophobicContact CG2-CE1 4.09Å; T180-F249 HydrophobicContact CG2-CE2 3.48Å; T180-F249 VanDerWaalsContact CG2-CE2 3.48Å; T180-F249 HydrophobicContact CG2-CG 4.07Å; T180-F249 HydrophobicContact CG2-CZ 3.71Å; T180-F249 WeakPolarHBondContact CG2-O 3.3Å; T180-F249 PolarHBondContact OG1-N 3.22Å; T180-F249 VanDerWaalsContact OG1-N 3.08Å; T180-F249 PolarHBondContact OG1-O 2.92Å
181	Q	98.7	Very high	98.5	Very high	18 Å²	18	29 Å²	29	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	108.2	167	170	61.4	23.2	0	0	107.5	F159 H160 G161 Y163 M319	F159-Q181 WeakPolarHBondContact O-CB 3.44Å; H160-Q181 CarbonylContact C-O 3.55Å; H160-Q181 WeakPolarHBondContact CA-O 3.17Å; G161-Q181 PolarHBondContact N-O 3.39Å; G161-Q181 PolarHBondContact O-N 3.15Å; Y163-Q181 HydrophobicContact CE1-CB 3.87Å; Q181-M319 PolarHBondContact NE2-SD 2.81Å
182	F	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.			trans	-108.6	-21.9	-170	-65.7	-21.6	0	0	0	114.5	G161 T180 P184 T185 A186 A187 A190 F191 V247 F249	G161-F182 WeakPolarHBondContact O-CE1 3.22Å; T180-F182 HydrophobicContact CG2-CE1 3.76Å; T180-F182 HydrophobicContact CG2-CE2 4.16Å; T180-F182 HydrophobicContact CG2-CZ 3.38Å; F182-P184 CarbonylContact O-C 3.57Å; F182-P184 VanDerWaalsContact O-C 3.27Å; F182-T185 PolarHBondContact O-N 2.84Å; F182-T185 VanDerWaalsContact O-N 3.13Å; F182-A186 PolarHBondContact O-N 3.02Å; F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 4.44Å; F182-A187 HydrophobicContact CD2-CB 3.77Å; F182-A187 HydrophobicContact CE2-CB 4.41Å; F182-A187 HydrophobicContact CG-CB 3.81Å; F182-A190 HydrophobicContact CE1-CB 3.52Å; F182-A190 HydrophobicContact CZ-CB 3.43Å; F182-A190 VanDerWaalsContact CZ-CB 3.43Å; F182-F191 HydrophobicContact CD2-CE1 4.44Å; F182-F191 AromaticContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; F182-V247 HydrophobicContact CD2-CB 4.08Å; F182-V247 WeakPolarHBondContact CD2-O 3.04Å; F182-V247 HydrophobicContact CE2-CB 3.94Å; F182-V247 HydrophobicContact CE2-CG1 3.99Å; F182-V247 WeakPolarHBondContact CE2-O 3.12Å; F182-F249 HydrophobicContact CE2-CE1 4.39Å; F182-F249 HydrophobicContact CZ-CE1 4.2Å; F182-F249 HydrophobicContact CZ-CZ 4.15Å
183	E	98.5	Very high	98.7	Very high	22 Å²	22	20.1 Å²	20.1	10%	0.103	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	134.7	177.3	-159.9	179.4	-148	0	0	111.3	Y245 M319 W369 F433	E183-Y245 HydrophobicContact CB-CD2 3.81Å; E183-Y245 HydrophobicContact CG-CD2 3.71Å; E183-Y245 HydrophobicContact CG-CE2 4.14Å; E183-Y245 HydrophobicContact CG-CG 4.33Å; E183-M319 HydrophobicContact CB-CE 3.71Å; E183-M319 HydrophobicContact CB-SD 3.5Å; E183-M319 WeakPolarHBondContact CB-SD 3.29Å; E183-M319 HydrophobicContact CG-CE 4.42Å; E183-M319 HydrophobicContact CG-SD 4.47Å; E183-W369 HydrophobicContact CG-CH2 3.77Å; E183-W369 HydrophobicContact CG-CZ3 3.96Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.19Å; E183-F433 HydrophobicContact CG-CE1 4.18Å; E183-F433 HydrophobicContact CG-CZ 3.77Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.35Å
184	P	98.2	Very high	98.8	Very high	14 Å²	14	15.4 Å²	15.4	9%	0.091	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	-30	-3	31.1	-33.6	0	0	0	115.2	F182 W369 I429 R430 F433	F182-P184 CarbonylContact O-C 3.57Å; F182-P184 VanDerWaalsContact O-C 3.27Å; P184-W369 HydrophobicContact CB-CD2 4.16Å; P184-W369 HydrophobicContact CB-CE3 4.07Å; P184-W369 HydrophobicContact CB-CH2 3.7Å; P184-W369 HydrophobicContact CB-CZ2 3.73Å; P184-W369 HydrophobicContact CB-CZ3 3.83Å; P184-W369 WeakPolarHBondContact O-CZ2 3.27Å; P184-I429 HydrophobicContact CB-CG2 3.49Å; P184-I429 VanDerWaalsContact CB-CG2 3.49Å; P184-I429 HydrophobicContact CG-CG2 3.66Å; P184-R430 HydrophobicContact CG-CG 3.84Å; P184-F433 HydrophobicContact CB-CE2 3.95Å; P184-F433 HydrophobicContact CB-CZ 4.16Å; P184-F433 HydrophobicContact CG-CE2 4.06Å
185	T	98.7	Very high	98.8	Very high	10 Å²	10	11.1 Å²	11.1	6%	0.061	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	32.1	-165.6	65.9	0	0	0	0	113.5	F182 R188 D195 I429	F182-T185 PolarHBondContact O-N 2.84Å; F182-T185 VanDerWaalsContact O-N 3.13Å; T185-R188 WeakPolarHBondContact O-CD 3.42Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.39Å; T185-R188 PolarHBondContact O-NE 2.93Å; T185-D195 VanDerWaalsContact C-OD2 3.31Å; T185-I429 HydrophobicContact CG2-CD1 4Å
186	A	98.9	Very high	98.8	Very high	6 Å²	6	8 Å²	8	5%	0.05	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-0	-173.6	0	0	0	0	0	114.4	H160 F182 R188 M189	H160-A186 HydrophobicContact CB-CB 4.14Å; F182-A186 PolarHBondContact O-N 3.02Å; A186-R188 PolarHBondContact O-N 3.15Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.3Å; A186-M189 PolarHBondContact O-N 2.79Å
187	A	98.9	Very high	98.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-60.1	-36.8	171.1	0	0	0	0	0	111.1	F182 M189 A190 F191 D195	F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 4.44Å; F182-A187 HydrophobicContact CD2-CB 3.77Å; F182-A187 HydrophobicContact CE2-CB 4.41Å; F182-A187 HydrophobicContact CG-CB 3.81Å; A187-M189 PolarHBondContact O-N 2.79Å; A187-A190 PolarHBondContact O-N 2.88Å; A187-F191 HydrophobicContact CB-CE1 4.11Å; A187-F191 HydrophobicContact CB-CZ 3.97Å; A187-F191 PolarHBondContact O-N 3.08Å; A187-D195 WeakPolarHBondContact CB-OD1 3.33Å
188	R	98.9	Very high	98.8	Very high	10 Å²	10	7.5 Å²	7.5	4%	0.038	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-56.7	-13.8	172.5	68.6	-172.3	67.7	-173.7	-4.8	115.4	H96 H98 E129 T185 A186 F191 D195	H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 2.66Å; H96-R188 PolarHBondContact CE1-NH2 3.03Å; H96-R188 VanDerWaalsContact CE1-NH2 3.34Å; H96-R188 VanDerWaalsContact CG-CZ 3.46Å; H96-R188 PolarHBondContact ND1-NH2 3.07Å; H96-R188 PolarHBondContact NE2-NH2 2.85Å; H98-R188 HydrophobicContact CB-CG 4.04Å; H98-R188 PolarHBondContact N-O 3.14Å; E129-R188 WeakPolarHBondContact OE2-CD 3.49Å; E129-R188 IonicContact OE2-CZ 3.22Å; E129-R188 IonicContact OE2-NE 3.58Å; E129-R188 IonicContact OE2-NH1 2.82Å; E129-R188 PolarHBondContact OE2-NH1 2.89Å; T185-R188 WeakPolarHBondContact O-CD 3.42Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.39Å; T185-R188 PolarHBondContact O-NE 2.93Å; A186-R188 PolarHBondContact O-N 3.15Å; R188-F191 WeakPolarHBondContact CA-O 3.37Å; R188-D195 HydrophobicContact CB-CB 4.16Å; R188-D195 WeakPolarHBondContact CB-OD2 3.37Å; R188-D195 WeakPolarHBondContact CG-OD2 3.3Å; R188-D195 IonicContact CZ-OD2 3.4Å; R188-D195 PolarHBondContact N-OD2 3.26Å; R188-D195 IonicContact NE-OD2 2.67Å; R188-D195 PolarHBondContact NE-OD2 2.97Å; R188-D195 PolarHBondContact NH2-O 2.95Å; R188-D195 IonicContact NH2-OD2 2.66Å
189	M	98.9	Very high	98.8	Very high	30 Å²	30	8.1 Å²	8.1	15%	0.148	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-91.4	-10.1	175.3	-62	174.6	65.4	0	0	113.4	H98 L100 H160 A186 A187	H98-M189 HydrophobicContact CB-CG 3.94Å; H98-M189 WeakPolarHBondContact O-CA 3.42Å; L100-M189 WeakPolarHBondContact CD2-O 3.49Å; H160-M189 VanDerWaalsContact CD2-SD 3.57Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.3Å; A186-M189 PolarHBondContact O-N 2.79Å; A187-M189 PolarHBondContact O-N 2.79Å
190	A	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-31.9	178.7	0	0	0	0	0	112.1	F76 Y151 F162 F182 A187 F249	F76-A190 WeakPolarHBondContact CE2-O 3.47Å; Y151-A190 WeakPolarHBondContact CE2-O 3.25Å; Y151-A190 PolarHBondContact OH-O 3.38Å; F162-A190 HydrophobicContact CB-CB 3.82Å; F182-A190 HydrophobicContact CE1-CB 3.52Å; F182-A190 HydrophobicContact CZ-CB 3.43Å; F182-A190 VanDerWaalsContact CZ-CB 3.43Å; A187-A190 PolarHBondContact O-N 2.88Å; A190-F249 HydrophobicContact CB-CZ 4.34Å
191	F	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-153.8	141.8	174.3	58.3	-84.1	0	0	0	111	L65 Y151 F182 A187 R188 C193 F203 V247	L65-F191 HydrophobicContact CD1-CD1 4.06Å; L65-F191 HydrophobicContact CD1-CD2 4.12Å; L65-F191 HydrophobicContact CD1-CE1 3.99Å; L65-F191 HydrophobicContact CD1-CE2 4.04Å; L65-F191 HydrophobicContact CD1-CG 4.14Å; L65-F191 HydrophobicContact CD1-CZ 3.99Å; L65-F191 HydrophobicContact CD2-CB 4.29Å; L65-F191 HydrophobicContact CD2-CD2 3.83Å; L65-F191 HydrophobicContact CD2-CE2 4.36Å; L65-F191 HydrophobicContact CD2-CG 4.07Å; Y151-F191 WeakPolarHBondContact OH-CA 3.26Å; Y151-F191 WeakPolarHBondContact OH-CB 3.47Å; F182-F191 HydrophobicContact CD2-CE1 4.44Å; F182-F191 AromaticContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; A187-F191 HydrophobicContact CB-CE1 4.11Å; A187-F191 HydrophobicContact CB-CZ 3.97Å; A187-F191 PolarHBondContact O-N 3.08Å; R188-F191 WeakPolarHBondContact CA-O 3.37Å; F191-C193 HydrophobicContact CD2-CB 3.62Å; F191-C193 HydrophobicContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-SG 3.55Å; F191-C193 PolarHBondContact O-N 3.42Å; F191-C193 PolarHBondContact O-SG 2.81Å; F191-F203 HydrophobicContact CE2-CE1 4.27Å; F191-F203 HydrophobicContact CZ-CE1 4.4Å; F191-V247 HydrophobicContact CE1-CB 4.26Å; F191-V247 HydrophobicContact CE1-CG1 4Å; F191-V247 HydrophobicContact CZ-CB 4.18Å; F191-V247 HydrophobicContact CZ-CG1 4.25Å; F191-V247 HydrophobicContact CZ-CG2 4.04Å
192	P	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.			trans	-64.5	125.9	174.6	-20.1	33.7	0	0	0	110.4	L95 H96 L100 I102 I131 I149 Y151	L95-P192 VanDerWaalsContact CD1-C 3.48Å; L95-P192 HydrophobicContact CD1-CB 3.45Å; L95-P192 VanDerWaalsContact CD1-CB 3.45Å; H96-P192 VanDerWaalsContact O-CA 3.31Å; H96-P192 WeakPolarHBondContact O-CA 3.4Å; L100-P192 HydrophobicContact CD1-CG 3.96Å; I102-P192 HydrophobicContact CD1-CG 3.72Å; I131-P192 HydrophobicContact CD1-CB 4.24Å; I149-P192 HydrophobicContact CD1-CB 3.91Å; I149-P192 HydrophobicContact CD1-CG 4.41Å; I149-P192 HydrophobicContact CG2-CG 4.13Å; Y151-P192 HydrophobicContact CD1-CG 4.12Å; Y151-P192 VanDerWaalsContact CE1-CD 3.48Å; Y151-P192 HydrophobicContact CE1-CG 4.4Å; Y151-P192 HydrophobicContact CG-CG 4.39Å
193	C	98.9	Very high	98.8	Very high	1 Å²	1	9 Å²	9	1%	0.007	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-156.6	168.3	-175.4	57.7	0	0	0	0	113.9	Y63 H96 F191 D195 T244	Y63-C193 HydrophobicContact CE1-CB 3.78Å; H96-C193 WeakPolarHBondContact CA-O 3.47Å; H96-C193 WeakPolarHBondContact CB-O 3.3Å; H96-C193 PolarHBondContact N-O 2.84Å; H96-C193 PolarHBondContact O-N 3.23Å; F191-C193 HydrophobicContact CD2-CB 3.62Å; F191-C193 HydrophobicContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-SG 3.55Å; F191-C193 PolarHBondContact O-N 3.42Å; F191-C193 PolarHBondContact O-SG 2.81Å; C193-D195 PolarHBondContact O-N 2.84Å; C193-T244 HydrophobicContact CB-CG2 4.08Å
194	F	98.9	Very high	98.8	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	6%	0.058	C	C	.	.			trans	-77.8	73	170.5	-63.5	-99.9	0	0	0	109.4	L54 V58 P60 Y63 V82 I84 I93 I94 L95 E196 F199	L54-F194 HydrophobicContact CD1-CB 3.99Å; L54-F194 HydrophobicContact CD1-CD1 3.95Å; L54-F194 HydrophobicContact CD1-CG 4.36Å; V58-F194 HydrophobicContact CB-CE1 4.13Å; V58-F194 HydrophobicContact CB-CZ 4.36Å; V58-F194 HydrophobicContact CG1-CE1 4.01Å; V58-F194 HydrophobicContact CG1-CZ 3.73Å; V58-F194 WeakPolarHBondContact O-CE1 3.31Å; P60-F194 HydrophobicContact CB-CD2 3.81Å; P60-F194 HydrophobicContact CB-CE2 4.22Å; P60-F194 HydrophobicContact CB-CG 4.41Å; P60-F194 HydrophobicContact CG-CB 3.96Å; P60-F194 HydrophobicContact CG-CD2 3.85Å; P60-F194 HydrophobicContact CG-CG 3.95Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.33Å; Y63-F194 PolarHBondContact OH-N 3.14Å; Y63-F194 VanDerWaalsContact OH-N 3.09Å; V82-F194 HydrophobicContact CG2-CE2 4.41Å; I84-F194 HydrophobicContact CG2-CE2 3.83Å; I84-F194 HydrophobicContact CG2-CZ 4.1Å; I93-F194 HydrophobicContact CG2-CZ 3.89Å; I94-F194 WeakPolarHBondContact O-CE1 3.42Å; L95-F194 HydrophobicContact CB-CD2 4.47Å; L95-F194 HydrophobicContact CB-CE2 4.47Å; L95-F194 HydrophobicContact CB-CZ 4.48Å; F194-E196 PolarHBondContact O-N 2.59Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD2 4.01Å; F194-F199 HydrophobicContact CB-CG 3.92Å
195	D	98.9	Very high	98.9	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.011	6%	0.055	C	C	.	.			trans	-78.8	60.5	-166.7	-161.2	24.4	0	0	0	114.3	H96 T185 A187 R188 C193 T244	H96-D195 HydrophobicContact CB-CB 3.79Å; H96-D195 PolarHBondContact ND1-N 2.82Å; T185-D195 VanDerWaalsContact C-OD2 3.31Å; A187-D195 WeakPolarHBondContact CB-OD1 3.33Å; R188-D195 HydrophobicContact CB-CB 4.16Å; R188-D195 WeakPolarHBondContact CB-OD2 3.37Å; R188-D195 WeakPolarHBondContact CG-OD2 3.3Å; R188-D195 IonicContact CZ-OD2 3.4Å; R188-D195 PolarHBondContact N-OD2 3.26Å; R188-D195 IonicContact NE-OD2 2.67Å; R188-D195 PolarHBondContact NE-OD2 2.97Å; R188-D195 PolarHBondContact NH2-O 2.95Å; R188-D195 IonicContact NH2-OD2 2.66Å; C193-D195 PolarHBondContact O-N 2.84Å; D195-T244 WeakPolarHBondContact OD1-CB 3.16Å; D195-T244 PolarHBondContact OD1-OG1 2.94Å
196	E	98.9	Very high	98.9	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.014	6%	0.062	C	C	.	.	S	Bend	trans	-133.2	144.3	168.2	-47.7	-175.9	173.1	0	0	109.3	R53 L54 H96 F194 A198 F199 W368	R53-E196 VanDerWaalsContact CA-OE1 3.31Å; R53-E196 WeakPolarHBondContact CA-OE1 3.29Å; R53-E196 IonicContact CZ-OE2 3.89Å; R53-E196 VanDerWaalsContact CZ-OE2 3.25Å; R53-E196 VanDerWaalsContact NE-CD 3.27Å; R53-E196 IonicContact NE-OE1 3.51Å; R53-E196 PolarHBondContact NE-OE1 2.73Å; R53-E196 IonicContact NE-OE2 2.64Å; R53-E196 PolarHBondContact NE-OE2 2.79Å; R53-E196 IonicContact NH2-OE2 3.58Å; R53-E196 PolarHBondContact NH2-OE2 3.49Å; L54-E196 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CG-CG 4.47Å; L54-E196 PolarHBondContact N-OE1 3.42Å; H96-E196 IonicContact CE1-OE1 3.51Å; F194-E196 PolarHBondContact O-N 2.59Å; E196-A198 PolarHBondContact O-N 3.09Å; E196-A198 VanDerWaalsContact O-N 3.1Å; E196-F199 HydrophobicContact CB-CD2 3.77Å; E196-F199 HydrophobicContact CB-CE2 4.07Å; E196-F199 HydrophobicContact CG-CD2 4.19Å; E196-F199 HydrophobicContact CG-CE2 4.12Å; E196-F199 PolarHBondContact O-N 3.45Å; E196-W368 HydrophobicContact CB-CE3 4.44Å; E196-W368 HydrophobicContact CB-CZ3 3.92Å; E196-W368 HydrophobicContact CG-CZ3 3.95Å
197	P	98.8	Very high	98.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.8	-167.9	22.2	-33.4	0	0	0	114.6	F199 S243 Y245 T365 W368 W369 N472	P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 2.76Å; P197-S243 PolarHBondContact O-OG 2.94Å; P197-Y245 HydrophobicContact CB-CD1 4.47Å; P197-Y245 HydrophobicContact CB-CE1 4.32Å; P197-T365 HydrophobicContact CB-CG2 4.02Å; P197-W368 HydrophobicContact CG-CE3 4.38Å; P197-W369 HydrophobicContact CG-CZ2 4.14Å; P197-N472 PolarHBondContact O-ND2 3.02Å
198	A	98.6	Very high	98.9	Very high	39 Å²	39	13.8 Å²	13.8	32%	0.322	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.7	177.8	0	0	0	0	0	114.3	E196 K200 E367	E196-A198 PolarHBondContact O-N 3.09Å; E196-A198 VanDerWaalsContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 3.46Å; A198-E367 HydrophobicContact CB-CG 4.13Å
199	F	98.8	Very high	98.9	Very high	13 Å²	13	14.4 Å²	14.4	6%	0.057	8%	0.075	C	C	.	.			trans	-82.3	56.7	179.2	-66.2	-68	0	0	0	111.9	L54 I59 P60 F194 E196 P197 A201	L54-F199 HydrophobicContact CB-CE2 4.05Å; L54-F199 HydrophobicContact CB-CZ 4.33Å; L54-F199 HydrophobicContact CD1-CD2 4.44Å; L54-F199 HydrophobicContact CD1-CE2 4.13Å; I59-F199 HydrophobicContact CD1-CD1 4.19Å; I59-F199 HydrophobicContact CD1-CE1 3.78Å; P60-F199 HydrophobicContact CG-CB 3.85Å; P60-F199 HydrophobicContact CG-CD1 4.4Å; P60-F199 HydrophobicContact CG-CG 4.47Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD2 4.01Å; F194-F199 HydrophobicContact CB-CG 3.92Å; E196-F199 HydrophobicContact CB-CD2 3.77Å; E196-F199 HydrophobicContact CB-CE2 4.07Å; E196-F199 HydrophobicContact CG-CD2 4.19Å; E196-F199 HydrophobicContact CG-CE2 4.12Å; E196-F199 PolarHBondContact O-N 3.45Å; P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 2.76Å; F199-A201 PolarHBondContact O-N 2.83Å
200	K	98.9	Very high	98.9	Very high	10 Å²	10	15.6 Å²	15.6	4%	0.043	8%	0.08	C	C	.	.			trans	-64.3	131.6	178.4	-69.7	-163.8	173.4	-170	0	112	A198 K241 M242 S243 N362 L363 T365 K471	A198-K200 PolarHBondContact O-N 3.46Å; K200-K241 WeakPolarHBondContact O-CE 3.41Å; K200-M242 VanDerWaalsContact CA-O 3.26Å; K200-M242 WeakPolarHBondContact CA-O 3.29Å; K200-S243 WeakPolarHBondContact CE-OG 3.48Å; K200-N362 PolarHBondContact NZ-O 3.35Å; K200-L363 PolarHBondContact NZ-O 2.93Å; K200-T365 WeakPolarHBondContact CE-OG1 3.27Å; K200-T365 PolarHBondContact NZ-OG1 3.05Å; K200-K471 WeakPolarHBondContact CE-O 3.48Å; K200-K471 PolarHBondContact NZ-O 3.16Å
201	A	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-139.8	170.1	176.7	0	0	0	0	0	110.3	P60 V61 Y63 F199 F203 K241 M242	P60-A201 HydrophobicContact CB-CB 4.46Å; V61-A201 WeakPolarHBondContact O-CA 3.44Å; V61-A201 WeakPolarHBondContact O-CB 3.46Å; Y63-A201 HydrophobicContact CD2-CB 3.6Å; Y63-A201 HydrophobicContact CE2-CB 3.55Å; F199-A201 PolarHBondContact O-N 2.83Å; A201-F203 HydrophobicContact CB-CE2 4.37Å; A201-F203 HydrophobicContact CB-CZ 4.38Å; A201-F203 WeakPolarHBondContact O-CD2 3.2Å; A201-F203 VanDerWaalsContact O-CE2 3.23Å; A201-F203 WeakPolarHBondContact O-CE2 3Å; A201-K241 WeakPolarHBondContact O-CA 3.44Å; A201-M242 PolarHBondContact N-O 3.34Å; A201-M242 PolarHBondContact O-N 3.07Å
202	S	98.9	Very high	98.8	Very high	26 Å²	26	26.2 Å²	26.2	18%	0.182	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	154.6	165.7	54.1	0	0	0	0	110.9	V61 H62 Y63 T239	V61-S202 PolarHBondContact O-N 3.33Å; H62-S202 CarbonylContact C-O 3.57Å; H62-S202 WeakPolarHBondContact CA-O 3.33Å; H62-S202 PolarHBondContact ND1-O 3.47Å; H62-S202 VanDerWaalsContact ND1-O 3.16Å; H62-S202 PolarHBondContact ND1-OG 3.22Å; Y63-S202 PolarHBondContact N-O 2.66Å; S202-T239 VanDerWaalsContact CB-O 3.25Å; S202-T239 WeakPolarHBondContact CB-O 3.38Å
203	F	98.9	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.5	-175.1	-60.2	-97.3	0	0	0	110.6	Y63 L65 F191 A201 I205 T239 M242 T244 V247	Y63-F203 HydrophobicContact CD1-CE1 4.4Å; Y63-F203 AromaticContact CD2-CD1 3.85Å; Y63-F203 HydrophobicContact CD2-CD1 3.85Å; Y63-F203 AromaticContact CD2-CE1 3.35Å; Y63-F203 HydrophobicContact CD2-CE1 3.35Å; Y63-F203 AromaticContact CD2-CZ 3.79Å; Y63-F203 HydrophobicContact CD2-CZ 3.79Å; Y63-F203 AromaticContact CE2-CE1 3.86Å; Y63-F203 HydrophobicContact CE2-CE1 3.86Å; Y63-F203 HydrophobicContact CE2-CZ 4.01Å; Y63-F203 AromaticContact CG-CD1 3.87Å; Y63-F203 HydrophobicContact CG-CD1 3.87Å; Y63-F203 AromaticContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CE1 3.66Å; Y63-F203 CarbonylContact O-C 3.52Å; Y63-F203 WeakPolarHBondContact O-CA 3.5Å; L65-F203 HydrophobicContact CD1-CD1 4Å; F191-F203 HydrophobicContact CE2-CE1 4.27Å; F191-F203 HydrophobicContact CZ-CE1 4.4Å; A201-F203 HydrophobicContact CB-CE2 4.37Å; A201-F203 HydrophobicContact CB-CZ 4.38Å; A201-F203 WeakPolarHBondContact O-CD2 3.2Å; A201-F203 VanDerWaalsContact O-CE2 3.23Å; A201-F203 WeakPolarHBondContact O-CE2 3Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; F203-I205 HydrophobicContact CB-CG1 4.23Å; F203-T239 HydrophobicContact CB-CG2 4.03Å; F203-T239 PolarHBondContact N-OG1 3.13Å; F203-T239 WeakPolarHBondContact O-CG2 3.49Å; F203-T239 PolarHBondContact O-N 3.16Å; F203-M242 HydrophobicContact CD2-CE 3.73Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.23Å; F203-M242 HydrophobicContact CE2-CG 3.84Å; F203-M242 HydrophobicContact CG-CE 4.31Å; F203-T244 HydrophobicContact CE1-CG2 4.47Å; F203-T244 HydrophobicContact CZ-CG2 4.08Å; F203-V247 HydrophobicContact CD1-CG2 3.65Å; F203-V247 HydrophobicContact CD2-CG2 4.06Å; F203-V247 HydrophobicContact CE1-CG2 3.63Å; F203-V247 HydrophobicContact CE2-CG2 4.04Å; F203-V247 HydrophobicContact CG-CG2 3.89Å; F203-V247 HydrophobicContact CZ-CG2 3.84Å
204	S	98.9	Very high	98.8	Very high	26 Å²	26	29.3 Å²	29.3	18%	0.182	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.3	167.5	-65.9	0	0	0	0	108.2	H62 Y63 D64 L65	H62-S204 PolarHBondContact CE1-OG 3.42Å; H62-S204 PolarHBondContact NE2-OG 3.31Å; H62-S204 VanDerWaalsContact NE2-OG 3.07Å; Y63-S204 PolarHBondContact O-N 2.8Å; D64-S204 WeakPolarHBondContact CA-O 3.34Å; L65-S204 PolarHBondContact N-O 2.81Å
205	I	98.9	Very high	98.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.4	-172.8	-54.6	-174	0	0	0	110.1	L65 F203 I207 S217 F236 V247 F249	L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CD1 4.49Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.53Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; F203-I205 HydrophobicContact CB-CG1 4.23Å; I205-I207 HydrophobicContact CG2-CD1 3.83Å; I205-I207 HydrophobicContact CG2-CG1 4.15Å; I205-S217 WeakPolarHBondContact CD1-OG 3.45Å; I205-F236 HydrophobicContact CB-CD2 4.43Å; I205-F236 HydrophobicContact CG2-CD2 4.39Å; I205-F236 WeakPolarHBondContact O-CD2 3.45Å; I205-F236 PolarHBondContact O-N 2.83Å; I205-V247 HydrophobicContact CD1-CG1 3.66Å; I205-F249 HydrophobicContact CG2-CD1 4.41Å
206	K	98.9	Very high	98.8	Very high	49 Å²	49	29.7 Å²	29.7	21%	0.213	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.4	173.6	-69.5	173.5	-68.8	-170.1	0	110.2	L65 L66 I67 E233 D234 H235	L65-K206 PolarHBondContact O-N 3.04Å; L66-K206 WeakPolarHBondContact CA-O 3.34Å; L66-K206 HydrophobicContact CD1-CB 3.84Å; I67-K206 PolarHBondContact N-O 2.82Å; K206-E233 HydrophobicContact CB-CG 4.3Å; K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.18Å; K206-H235 HydrophobicContact CG-CB 4.42Å
207	I	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	-178.5	-55.8	-60.6	0	0	0	109.4	I67 I205 A215 E233 D234 F236 F249 I251	I67-I207 HydrophobicContact CB-CD1 3.79Å; I67-I207 HydrophobicContact CG1-CD1 4.26Å; I67-I207 HydrophobicContact CG2-CD1 4.47Å; I67-I207 CarbonylContact O-C 3.55Å; I67-I207 WeakPolarHBondContact O-CA 3.31Å; I205-I207 HydrophobicContact CG2-CD1 3.83Å; I205-I207 HydrophobicContact CG2-CG1 4.15Å; I207-A215 HydrophobicContact CB-CB 3.99Å; I207-A215 HydrophobicContact CG1-CB 4.45Å; I207-A215 HydrophobicContact CG2-CB 3.79Å; I207-E233 WeakPolarHBondContact O-CA 3.29Å; I207-D234 PolarHBondContact N-O 2.88Å; I207-D234 PolarHBondContact O-N 2.95Å; I207-F236 HydrophobicContact CB-CE2 4.21Å; I207-F236 HydrophobicContact CG1-CD2 4.42Å; I207-F236 HydrophobicContact CG1-CE2 3.72Å; I207-F249 HydrophobicContact CD1-CB 3.92Å; I207-F249 HydrophobicContact CD1-CD1 4.4Å; I207-F249 HydrophobicContact CD1-CD2 4.04Å; I207-F249 HydrophobicContact CD1-CG 3.86Å; I207-F249 HydrophobicContact CG1-CB 4.34Å; I207-I251 HydrophobicContact CG2-CD1 3.64Å; I207-I251 HydrophobicContact CG2-CG1 3.78Å
208	R	98.9	Very high	98.8	Very high	74 Å²	74	29.6 Å²	29.6	28%	0.279	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.2	168.7	-71.1	-179.7	-178.2	-174.7	-0.8	110.2	L66 I67 H68 L231 I232 E233	L66-R208 HydrophobicContact CD1-CG 4.1Å; I67-R208 PolarHBondContact O-N 2.95Å; H68-R208 HydrophobicContact CB-CB 3.83Å; R208-L231 HydrophobicContact CB-CD1 4.22Å; R208-L231 HydrophobicContact CB-CD2 4.2Å; R208-L231 HydrophobicContact CB-CG 4.23Å; R208-L231 HydrophobicContact CG-CD2 4.41Å; R208-I232 CarbonylContact C-O 3.57Å; R208-I232 VanDerWaalsContact CA-O 3.27Å; R208-I232 WeakPolarHBondContact CA-O 3.46Å; R208-E233 HydrophobicContact CG-CB 3.94Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.78Å; R208-E233 IonicContact NE-OE2 3.61Å; R208-E233 PolarHBondContact NE-OE2 3.27Å; R208-E233 IonicContact NH2-OE2 3.74Å; R208-E233 PolarHBondContact NH2-OE2 3.49Å
209	R	98.6	Very high	98.8	Very high	23 Å²	23	28.3 Å²	28.3	9%	0.087	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161	-177.7	57.1	158.9	177.8	85.8	9.6	112.3	H213 A215 I232 D234 I251	R209-H213 WeakPolarHBondContact CD-O 3.43Å; R209-H213 PolarHBondContact NE-O 3.13Å; R209-H213 PolarHBondContact NH1-O 3.03Å; R209-A215 HydrophobicContact CG-CB 4.49Å; R209-I232 PolarHBondContact N-O 2.7Å; R209-I232 PolarHBondContact O-N 2.71Å; R209-D234 IonicContact CZ-OD1 3.31Å; R209-D234 IonicContact CZ-OD2 2.77Å; R209-D234 IonicContact NE-OD2 3.7Å; R209-D234 PolarHBondContact NE-OD2 2.86Å; R209-D234 VanDerWaalsContact NH2-CG 3.31Å; R209-D234 IonicContact NH2-OD1 2.86Å; R209-D234 PolarHBondContact NH2-OD1 3.07Å; R209-D234 IonicContact NH2-OD2 3.62Å; R209-D234 PolarHBondContact NH2-OD2 2.78Å; R209-I251 HydrophobicContact CB-CG2 4.27Å
210	E	98.5	Very high	98.8	Very high	56 Å²	56	29.4 Å²	29.4	26%	0.262	14%	0.144	S	C	.	.			trans	-67.8	149.7	168.1	-66.9	172.7	-147.7	0	0	111.1	R212 H213	E210-R212 HydrophobicContact CB-CG 4.23Å; E210-R212 PolarHBondContact O-N 3.5Å; E210-R212 VanDerWaalsContact O-N 3.12Å; E210-R212 IonicContact OE1-NH2 3.47Å; E210-R212 IonicContact OE2-CZ 2.63Å; E210-R212 VanDerWaalsContact OE2-CZ 3.29Å; E210-R212 IonicContact OE2-NE 2.72Å; E210-R212 PolarHBondContact OE2-NE 3.22Å; E210-R212 IonicContact OE2-NH2 2.72Å; E210-R212 PolarHBondContact OE2-NH2 3.2Å; E210-H213 PolarHBondContact O-N 3.31Å; E210-H213 VanDerWaalsContact O-N 3.09Å
211	P	98.4	Very high	98.8	Very high	76 Å²	76	32.8 Å²	32.8	49%	0.494	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.5	-179.5	-28	33.3	0	0	0	115.6	H213 G230 I232	P211-H213 VanDerWaalsContact C-N 3.29Å; P211-H213 PolarHBondContact O-N 2.89Å; P211-G230 WeakPolarHBondContact CD-O 3.41Å; P211-I232 HydrophobicContact CB-CD1 4.01Å; P211-I232 HydrophobicContact CG-CD1 4.05Å; P211-I232 HydrophobicContact CG-CG1 4.27Å
212	R	97.9	Very high	98.8	Very high	147 Å²	147	36.9 Å²	36.9	56%	0.555	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.1	179.8	68	177.9	171.5	105	1.6	114.3	E210	E210-R212 HydrophobicContact CB-CG 4.23Å; E210-R212 PolarHBondContact O-N 3.5Å; E210-R212 VanDerWaalsContact O-N 3.12Å; E210-R212 IonicContact OE1-NH2 3.47Å; E210-R212 IonicContact OE2-CZ 2.63Å; E210-R212 VanDerWaalsContact OE2-CZ 3.29Å; E210-R212 IonicContact OE2-NE 2.72Å; E210-R212 PolarHBondContact OE2-NE 3.22Å; E210-R212 IonicContact OE2-NH2 2.72Å; E210-R212 PolarHBondContact OE2-NH2 3.2Å
213	H	98.8	Very high	98.7	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.051	21%	0.205	C	C	.	.	S	Bend	trans	-97.7	155.5	178.1	-60.3	125	0	0	0	110.3	R209 E210 P211 I251 S252	R209-H213 WeakPolarHBondContact CD-O 3.43Å; R209-H213 PolarHBondContact NE-O 3.13Å; R209-H213 PolarHBondContact NH1-O 3.03Å; E210-H213 PolarHBondContact O-N 3.31Å; E210-H213 VanDerWaalsContact O-N 3.09Å; P211-H213 VanDerWaalsContact C-N 3.29Å; P211-H213 PolarHBondContact O-N 2.89Å; H213-I251 HydrophobicContact CB-CG2 3.81Å; H213-S252 CarbonylContact C-O 3.47Å; H213-S252 VanDerWaalsContact CA-O 3.26Å; H213-S252 WeakPolarHBondContact CA-O 3.06Å; H213-S252 WeakPolarHBondContact CB-O 3.24Å
214	L	98.6	Very high	98.7	Very high	54 Å²	54	44.6 Å²	44.6	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148.4	161.7	174.3	65.9	0	0	0	109.1	I216 I251 S252 Y270	L214-I216 HydrophobicContact CD1-CG2 4.35Å; L214-I216 HydrophobicContact CD2-CG2 3.91Å; L214-I216 HydrophobicContact CG-CG2 4.04Å; L214-I251 WeakPolarHBondContact O-CA 3.44Å; L214-S252 PolarHBondContact N-O 3.15Å; L214-S252 PolarHBondContact O-N 3.32Å; L214-S252 VanDerWaalsContact O-N 3.07Å; L214-Y270 HydrophobicContact CD2-CD1 4.14Å; L214-Y270 HydrophobicContact CD2-CE1 3.61Å
215	A	98.9	Very high	98.7	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.5	162	0	0	0	0	0	109.8	I207 R209 F236 I250	I207-A215 HydrophobicContact CB-CB 3.99Å; I207-A215 HydrophobicContact CG1-CB 4.45Å; I207-A215 HydrophobicContact CG2-CB 3.79Å; R209-A215 HydrophobicContact CG-CB 4.49Å; A215-F236 HydrophobicContact CB-CZ 4.09Å; A215-F236 WeakPolarHBondContact O-CZ 3.48Å; A215-I250 VanDerWaalsContact CA-O 3.28Å; A215-I250 WeakPolarHBondContact CA-O 3.48Å
216	I	98.9	Very high	98.6	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.8	170.5	58.2	-179.4	0	0	0	109.4	L214 F249 I250 Y270 L324	L214-I216 HydrophobicContact CD1-CG2 4.35Å; L214-I216 HydrophobicContact CD2-CG2 3.91Å; L214-I216 HydrophobicContact CG-CG2 4.04Å; I216-F249 CarbonylContact O-C 3.55Å; I216-F249 VanDerWaalsContact O-CA 3.26Å; I216-F249 WeakPolarHBondContact O-CA 3.46Å; I216-I250 HydrophobicContact CD1-CB 4.43Å; I216-I250 HydrophobicContact CD1-CD1 4.22Å; I216-I250 HydrophobicContact CG1-CB 3.86Å; I216-I250 HydrophobicContact CG1-CD1 4.38Å; I216-I250 HydrophobicContact CG1-CG1 4.49Å; I216-I250 PolarHBondContact N-O 3.09Å; I216-I250 PolarHBondContact O-N 3.12Å; I216-Y270 HydrophobicContact CD1-CD1 4.17Å; I216-Y270 HydrophobicContact CD1-CD2 4.05Å; I216-Y270 HydrophobicContact CD1-CE1 4.42Å; I216-Y270 HydrophobicContact CD1-CE2 4.29Å; I216-Y270 HydrophobicContact CD1-CG 3.98Å; I216-Y270 HydrophobicContact CG2-CE1 4.14Å; I216-L324 HydrophobicContact CB-CD2 4.49Å; I216-L324 HydrophobicContact CD1-CD1 3.61Å; I216-L324 HydrophobicContact CD1-CD2 4.45Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 4.01Å
217	S	98.9	Very high	98.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-174.3	-179.4	-171.4	0	0	0	0	110.1	I205 M219 A248 K305	I205-S217 WeakPolarHBondContact CD1-OG 3.45Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.07Å; S217-A248 VanDerWaalsContact CA-O 3.3Å; S217-A248 WeakPolarHBondContact CA-O 3.47Å; S217-A248 WeakPolarHBondContact CB-O 3.39Å; S217-A248 PolarHBondContact OG-O 3.1Å; S217-K305 PolarHBondContact O-NZ 3.08Å
218	N	98.9	Very high	98.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.286	C	S	.	.	S	Bend	trans	-51.3	-44.7	-178.9	-63.5	97	0	0	0	113.2	T239 L246 A248 K305 W322	N218-T239 HydrophobicContact CB-CG2 4.01Å; N218-L246 PolarHBondContact ND2-O 2.85Å; N218-A248 PolarHBondContact N-O 3.28Å; N218-A248 PolarHBondContact OD1-N 3.21Å; N218-A248 PolarHBondContact OD1-O 2.83Å; N218-K305 WeakPolarHBondContact O-CE 3.28Å; N218-K305 PolarHBondContact O-NZ 3.02Å; N218-W322 WeakPolarHBondContact CA-O 3.42Å; N218-W322 VanDerWaalsContact CB-O 3.24Å; N218-W322 WeakPolarHBondContact CB-O 3.17Å; N218-W322 PolarHBondContact ND2-O 3.1Å
219	M	98.9	Very high	98	Very high	12 Å²	12	59 Å²	59	6%	0.059	32%	0.316	C	S	.	.	S	Bend	trans	-104.7	164.7	-173.6	-65.5	-56.7	-70.7	0	0	112.7	S217 F236 D237 V238 T239 L303	S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.07Å; M219-F236 HydrophobicContact CB-CB 4.48Å; M219-F236 VanDerWaalsContact O-CD1 3.27Å; M219-F236 WeakPolarHBondContact O-CD1 3.25Å; M219-D237 HydrophobicContact CB-CB 3.99Å; M219-D237 WeakPolarHBondContact CB-O 3.18Å; M219-D237 HydrophobicContact CE-CB 4.3Å; M219-D237 VanDerWaalsContact CG-O 3.28Å; M219-D237 WeakPolarHBondContact CG-O 3.21Å; M219-V238 WeakPolarHBondContact CE-O 3.44Å; M219-T239 HydrophobicContact CG-CG2 3.65Å; M219-T239 HydrophobicContact SD-CG2 4.46Å; M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.96Å; M219-L303 HydrophobicContact SD-CD2 3.83Å; M219-L303 HydrophobicContact SD-CG 4.32Å
220	P	98.8	Very high	97.8	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	33%	0.332	C	S	.	.			trans	-59.2	146.1	173.5	-21.8	32.5	0	0	0	112.9	V222 F236 D237 P304 K305	P220-V222 PolarHBondContact O-N 2.92Å; P220-F236 WeakPolarHBondContact O-CA 3.29Å; P220-D237 PolarHBondContact O-N 2.75Å; P220-P304 HydrophobicContact CG-CB 3.95Å; P220-P304 HydrophobicContact CG-CG 4Å; P220-K305 HydrophobicContact CG-CG 3.86Å
221	L	98.8	Very high	97.7	Very high	81 Å²	81	58.5 Å²	58.5	42%	0.424	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.9	168	177.4	69.8	0	0	0	109.4	D234 F236	L221-D234 HydrophobicContact CD1-CB 3.52Å; L221-F236 HydrophobicContact CB-CD1 4.29Å; L221-F236 HydrophobicContact CB-CE1 4.15Å; L221-F236 HydrophobicContact CD1-CE1 4.31Å; L221-F236 HydrophobicContact CD1-CZ 4.47Å
222	V	98.5	Very high	97.7	Very high	87 Å²	87	56.4 Å²	56.4	53%	0.527	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-29.9	178.7	-62.8	0	0	0	0	112.6	P220 H235 D237	P220-V222 PolarHBondContact O-N 2.92Å; V222-H235 HydrophobicContact CG2-CB 3.97Å; V222-H235 WeakPolarHBondContact CG2-O 3.18Å; V222-H235 PolarHBondContact N-O 3.14Å; V222-D237 HydrophobicContact CG1-CB 3.68Å
223	K	98.1	Very high	97.8	Very high	127 Å²	127	50.2 Å²	50.2	55%	0.552	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160	143.1	-176.1	-166.6	-179.1	-174.8	-175.4	0	111.6	V225 H235	K223-V225 HydrophobicContact CD-CG2 3.76Å; K223-V225 HydrophobicContact CG-CG2 3.89Å; K223-H235 HydrophobicContact CB-CB 4.25Å; K223-H235 PolarHBondContact N-O 2.86Å; K223-H235 PolarHBondContact O-N 3.38Å
224	S	98.6	Very high	97.8	Very high	60 Å²	60	49.7 Å²	49.7	42%	0.42	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.7	165.8	-59.8	0	0	0	0	109.5	E233 D234	S224-E233 WeakPolarHBondContact CA-O 3.23Å; S224-D234 VanDerWaalsContact CB-OD1 3.29Å; S224-D234 WeakPolarHBondContact CB-OD1 3.4Å; S224-D234 PolarHBondContact OG-OD1 2.97Å
225	V	98.4	Very high	97.8	Very high	45 Å²	45	49.6 Å²	49.6	27%	0.273	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.2	-178.6	-174.2	0	0	0	0	110.1	K223 V227 I232 E233	K223-V225 HydrophobicContact CD-CG2 3.76Å; K223-V225 HydrophobicContact CG-CG2 3.89Å; V225-V227 HydrophobicContact CG1-CG1 4.46Å; V225-V227 PolarHBondContact O-N 3.14Å; V225-I232 WeakPolarHBondContact O-CA 3.47Å; V225-E233 PolarHBondContact N-O 3.14Å; V225-E233 PolarHBondContact O-N 3.2Å
226	T	98.1	Very high	97.8	Very high	107 Å²	107	50.1 Å²	50.1	66%	0.656	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	116.4	168.5	-53	0	0	0	0	109.2	A228	T226-A228 WeakPolarHBondContact CG2-O 3.3Å
227	V	96.8	Very high	97.8	Very high	57 Å²	57	53.1 Å²	53.1	35%	0.345	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-20.8	-175.6	-69.2	0	0	0	0	113.3	V225 L231 E233	V225-V227 HydrophobicContact CG1-CG1 4.46Å; V225-V227 PolarHBondContact O-N 3.14Å; V227-L231 HydrophobicContact CG2-CB 4.15Å; V227-L231 HydrophobicContact CG2-CD2 3.94Å; V227-L231 HydrophobicContact CG2-CG 3.99Å; V227-L231 PolarHBondContact N-O 2.88Å; V227-E233 HydrophobicContact CG1-CB 3.56Å; V227-E233 HydrophobicContact CG1-CG 4.49Å; V227-E233 HydrophobicContact CG2-CB 4.2Å
228	A	94.9	Very high	97.8	Very high	53 Å²	53	56.1 Å²	56.1	44%	0.438	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	170.3	172.9	0	0	0	0	0	108.9	T226 G230 L231	T226-A228 WeakPolarHBondContact CG2-O 3.3Å; A228-G230 PolarHBondContact O-N 2.82Å; A228-L231 HydrophobicContact CB-CB 4.33Å; A228-L231 PolarHBondContact O-N 2.97Å; A228-L231 VanDerWaalsContact O-N 3.07Å
229	E	91.6	Very high	97.8	Very high	195 Å²	195	56.5 Å²	56.5	91%	0.911	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	122.1	173	-171.8	60.4	-148	0	0	110	L231	E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 2.81Å
230	G	93.5	Very high	97.8	Very high	41 Å²	41	57.7 Å²	57.7	42%	0.423	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	13.9	-179.3	0	0	0	0	0	116.2	P211 A228	P211-G230 WeakPolarHBondContact CD-O 3.41Å; A228-G230 PolarHBondContact O-N 2.82Å
231	L	97.6	Very high	97.8	Very high	26 Å²	26	61.2 Å²	61.2	14%	0.136	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.9	179.2	-162.5	69.3	0	0	0	112.8	R208 V227 A228 E229	R208-L231 HydrophobicContact CB-CD1 4.22Å; R208-L231 HydrophobicContact CB-CD2 4.2Å; R208-L231 HydrophobicContact CB-CG 4.23Å; R208-L231 HydrophobicContact CG-CD2 4.41Å; V227-L231 HydrophobicContact CG2-CB 4.15Å; V227-L231 HydrophobicContact CG2-CD2 3.94Å; V227-L231 HydrophobicContact CG2-CG 3.99Å; V227-L231 PolarHBondContact N-O 2.88Å; A228-L231 HydrophobicContact CB-CB 4.33Å; A228-L231 PolarHBondContact O-N 2.97Å; A228-L231 VanDerWaalsContact O-N 3.07Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 2.81Å
232	I	98.6	Very high	97.8	Very high	32 Å²	32	57.4 Å²	57.4	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.8	177.1	-58.6	177.9	0	0	0	108.6	R208 R209 P211 V225	R208-I232 CarbonylContact C-O 3.57Å; R208-I232 VanDerWaalsContact CA-O 3.27Å; R208-I232 WeakPolarHBondContact CA-O 3.46Å; R209-I232 PolarHBondContact N-O 2.7Å; R209-I232 PolarHBondContact O-N 2.71Å; P211-I232 HydrophobicContact CB-CD1 4.01Å; P211-I232 HydrophobicContact CG-CD1 4.05Å; P211-I232 HydrophobicContact CG-CG1 4.27Å; V225-I232 WeakPolarHBondContact O-CA 3.47Å
233	E	98.8	Very high	97.8	Very high	18 Å²	18	53.2 Å²	53.2	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.5	170	-169.4	177.7	100.1	0	0	109.3	L66 K206 I207 R208 S224 V225 V227 H235	L66-E233 HydrophobicContact CD1-CG 4.32Å; K206-E233 HydrophobicContact CB-CG 4.3Å; I207-E233 WeakPolarHBondContact O-CA 3.29Å; R208-E233 HydrophobicContact CG-CB 3.94Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.78Å; R208-E233 IonicContact NE-OE2 3.61Å; R208-E233 PolarHBondContact NE-OE2 3.27Å; R208-E233 IonicContact NH2-OE2 3.74Å; R208-E233 PolarHBondContact NH2-OE2 3.49Å; S224-E233 WeakPolarHBondContact CA-O 3.23Å; V225-E233 PolarHBondContact N-O 3.14Å; V225-E233 PolarHBondContact O-N 3.2Å; V227-E233 HydrophobicContact CG1-CB 3.56Å; V227-E233 HydrophobicContact CG1-CG 4.49Å; V227-E233 HydrophobicContact CG2-CB 4.2Å; E233-H235 IonicContact OE1-CD2 3.92Å; E233-H235 IonicContact OE1-CE1 2.7Å; E233-H235 IonicContact OE1-NE2 3.9Å; E233-H235 PolarHBondContact OE1-NE2 2.73Å
234	D	98.9	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.7	174.4	-76.6	-17.1	0	0	0	109.8	K206 I207 R209 L221 S224 F236	K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.18Å; I207-D234 PolarHBondContact N-O 2.88Å; I207-D234 PolarHBondContact O-N 2.95Å; R209-D234 IonicContact CZ-OD1 3.31Å; R209-D234 IonicContact CZ-OD2 2.77Å; R209-D234 IonicContact NE-OD2 3.7Å; R209-D234 PolarHBondContact NE-OD2 2.86Å; R209-D234 VanDerWaalsContact NH2-CG 3.31Å; R209-D234 IonicContact NH2-OD1 2.86Å; R209-D234 PolarHBondContact NH2-OD1 3.07Å; R209-D234 IonicContact NH2-OD2 3.62Å; R209-D234 PolarHBondContact NH2-OD2 2.78Å; L221-D234 HydrophobicContact CD1-CB 3.52Å; S224-D234 VanDerWaalsContact CB-OD1 3.29Å; S224-D234 WeakPolarHBondContact CB-OD1 3.4Å; S224-D234 PolarHBondContact OG-OD1 2.97Å; D234-F236 HydrophobicContact CB-CE2 4.04Å; D234-F236 HydrophobicContact CB-CZ 4.24Å
235	H	98.9	Very high	97.9	Very high	51 Å²	51	44.5 Å²	44.5	24%	0.236	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.2	178.5	-65.9	-154.6	0	0	0	107.4	K206 V222 K223 E233	K206-H235 HydrophobicContact CG-CB 4.42Å; V222-H235 HydrophobicContact CG2-CB 3.97Å; V222-H235 WeakPolarHBondContact CG2-O 3.18Å; V222-H235 PolarHBondContact N-O 3.14Å; K223-H235 HydrophobicContact CB-CB 4.25Å; K223-H235 PolarHBondContact N-O 2.86Å; K223-H235 PolarHBondContact O-N 3.38Å; E233-H235 IonicContact OE1-CD2 3.92Å; E233-H235 IonicContact OE1-CE1 2.7Å; E233-H235 IonicContact OE1-NE2 3.9Å; E233-H235 PolarHBondContact OE1-NE2 2.73Å
236	F	98.9	Very high	97.9	Very high	14 Å²	14	42.3 Å²	42.3	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	153	174.3	-61.2	-84.2	0	0	0	110.1	I205 I207 A215 M219 P220 L221 D234	I205-F236 HydrophobicContact CB-CD2 4.43Å; I205-F236 HydrophobicContact CG2-CD2 4.39Å; I205-F236 WeakPolarHBondContact O-CD2 3.45Å; I205-F236 PolarHBondContact O-N 2.83Å; I207-F236 HydrophobicContact CB-CE2 4.21Å; I207-F236 HydrophobicContact CG1-CD2 4.42Å; I207-F236 HydrophobicContact CG1-CE2 3.72Å; A215-F236 HydrophobicContact CB-CZ 4.09Å; A215-F236 WeakPolarHBondContact O-CZ 3.48Å; M219-F236 HydrophobicContact CB-CB 4.48Å; M219-F236 VanDerWaalsContact O-CD1 3.27Å; M219-F236 WeakPolarHBondContact O-CD1 3.25Å; P220-F236 WeakPolarHBondContact O-CA 3.29Å; L221-F236 HydrophobicContact CB-CD1 4.29Å; L221-F236 HydrophobicContact CB-CE1 4.15Å; L221-F236 HydrophobicContact CD1-CE1 4.31Å; L221-F236 HydrophobicContact CD1-CZ 4.47Å; D234-F236 HydrophobicContact CB-CE2 4.04Å; D234-F236 HydrophobicContact CB-CZ 4.24Å
237	D	98.8	Very high	97.9	Very high	72 Å²	72	37.2 Å²	37.2	39%	0.385	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-61.5	159.3	174.1	-150.6	-12	0	0	0	111.1	M219 P220 V222	M219-D237 HydrophobicContact CB-CB 3.99Å; M219-D237 WeakPolarHBondContact CB-O 3.18Å; M219-D237 HydrophobicContact CE-CB 4.3Å; M219-D237 VanDerWaalsContact CG-O 3.28Å; M219-D237 WeakPolarHBondContact CG-O 3.21Å; P220-D237 PolarHBondContact O-N 2.75Å; V222-D237 HydrophobicContact CG1-CB 3.68Å
238	V	98.9	Very high	98	Very high	64 Å²	64	34.5 Å²	34.5	39%	0.388	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-71.7	134.2	179.3	63.1	0	0	0	0	110.7	M219	M219-V238 WeakPolarHBondContact CE-O 3.44Å
239	T	98.9	Very high	98.2	Very high	9 Å²	9	32 Å²	32	6%	0.055	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-70.2	159.1	176.4	72.7	0	0	0	0	111.4	S202 F203 N218 M219 M242	S202-T239 VanDerWaalsContact CB-O 3.25Å; S202-T239 WeakPolarHBondContact CB-O 3.38Å; F203-T239 HydrophobicContact CB-CG2 4.03Å; F203-T239 PolarHBondContact N-OG1 3.13Å; F203-T239 WeakPolarHBondContact O-CG2 3.49Å; F203-T239 PolarHBondContact O-N 3.16Å; N218-T239 HydrophobicContact CB-CG2 4.01Å; M219-T239 HydrophobicContact CG-CG2 3.65Å; M219-T239 HydrophobicContact SD-CG2 4.46Å; T239-M242 HydrophobicContact CG2-CE 3.71Å; T239-M242 HydrophobicContact CG2-SD 4.14Å
240	V	98.8	Very high	98.6	Very high	36 Å²	36	22.8 Å²	22.8	22%	0.218	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-61.4	171.3	157.5	-61.7	0	0	0	0	111	M242 L303 W322 Y470	V240-M242 PolarHBondContact O-N 2.92Å; V240-L303 HydrophobicContact CG1-CD2 3.95Å; V240-L303 HydrophobicContact CG2-CD2 4.05Å; V240-W322 HydrophobicContact CG2-CD2 4.2Å; V240-W322 HydrophobicContact CG2-CE3 3.8Å; V240-W322 HydrophobicContact CG2-CH2 3.67Å; V240-W322 HydrophobicContact CG2-CZ2 4.1Å; V240-W322 HydrophobicContact CG2-CZ3 3.51Å; V240-Y470 HydrophobicContact CB-CD1 4.2Å; V240-Y470 HydrophobicContact CB-CE1 3.73Å; V240-Y470 HydrophobicContact CG1-CE1 4.06Å; V240-Y470 HydrophobicContact CG2-CD1 4.35Å; V240-Y470 HydrophobicContact CG2-CE1 3.89Å
241	K	98.9	Very high	98.8	Very high	110 Å²	110	20.9 Å²	20.9	48%	0.478	11%	0.107	S	C	.	.	S	Bend	trans	-63.9	119.1	172.7	-78.3	-168.8	69.1	179.1	0	110.5	K200 A201	K200-K241 WeakPolarHBondContact O-CE 3.41Å; A201-K241 WeakPolarHBondContact O-CA 3.44Å
242	M	98.9	Very high	98.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-146.7	168.1	179.9	70.9	-174.2	-164.6	0	0	111.5	K200 A201 F203 T239 V240 L246 V247 W322	K200-M242 VanDerWaalsContact CA-O 3.26Å; K200-M242 WeakPolarHBondContact CA-O 3.29Å; A201-M242 PolarHBondContact N-O 3.34Å; A201-M242 PolarHBondContact O-N 3.07Å; F203-M242 HydrophobicContact CD2-CE 3.73Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.23Å; F203-M242 HydrophobicContact CE2-CG 3.84Å; F203-M242 HydrophobicContact CG-CE 4.31Å; T239-M242 HydrophobicContact CG2-CE 3.71Å; T239-M242 HydrophobicContact CG2-SD 4.14Å; V240-M242 PolarHBondContact O-N 2.92Å; M242-L246 HydrophobicContact CB-CD1 4.31Å; M242-L246 HydrophobicContact SD-CB 4.28Å; M242-V247 HydrophobicContact CE-CB 4.38Å; M242-V247 HydrophobicContact CE-CG2 3.7Å; M242-W322 HydrophobicContact CB-CE3 3.7Å; M242-W322 HydrophobicContact CB-CZ3 3.96Å; M242-W322 HydrophobicContact SD-CB 4.21Å; M242-W322 HydrophobicContact SD-CE3 4.33Å
243	S	98.9	Very high	98.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.			trans	-80.3	154.9	178.4	-56.3	0	0	0	0	111.4	P197 K200 Y245 L246	P197-S243 PolarHBondContact O-OG 2.94Å; K200-S243 WeakPolarHBondContact CE-OG 3.48Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 2.88Å; S243-L246 PolarHBondContact O-N 2.87Å
244	T	98.9	Very high	98.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-59.8	-35.5	-177	47.4	0	0	0	0	113.5	C193 D195 F203 L246 V247	C193-T244 HydrophobicContact CB-CG2 4.08Å; D195-T244 WeakPolarHBondContact OD1-CB 3.16Å; D195-T244 PolarHBondContact OD1-OG1 2.94Å; F203-T244 HydrophobicContact CE1-CG2 4.47Å; F203-T244 HydrophobicContact CZ-CG2 4.08Å; T244-L246 PolarHBondContact O-N 3.36Å; T244-L246 VanDerWaalsContact O-N 3.17Å; T244-V247 WeakPolarHBondContact O-CB 3.28Å; T244-V247 WeakPolarHBondContact O-CG2 3.16Å; T244-V247 PolarHBondContact O-N 3.47Å; T244-V247 VanDerWaalsContact O-N 3.14Å
245	Y	98.9	Very high	98.9	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-65.6	-16.6	-178.9	81.8	-93.8	0	0	0	113.6	E183 P197 S243 M319 E320 G361 T365 W369 N375	E183-Y245 HydrophobicContact CB-CD2 3.81Å; E183-Y245 HydrophobicContact CG-CD2 3.71Å; E183-Y245 HydrophobicContact CG-CE2 4.14Å; E183-Y245 HydrophobicContact CG-CG 4.33Å; P197-Y245 HydrophobicContact CB-CD1 4.47Å; P197-Y245 HydrophobicContact CB-CE1 4.32Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 2.88Å; Y245-M319 HydrophobicContact CD2-CE 3.63Å; Y245-M319 HydrophobicContact CE2-CE 3.75Å; Y245-E320 WeakPolarHBondContact CE2-OE1 3.5Å; Y245-G361 PolarHBondContact OH-O 3.37Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; Y245-W369 HydrophobicContact CD1-CH2 4.05Å; Y245-W369 HydrophobicContact CD1-CZ2 4.41Å; Y245-W369 HydrophobicContact CE1-CH2 4.32Å; Y245-W369 HydrophobicContact CG-CH2 4.18Å; Y245-N375 PolarHBondContact OH-ND2 2.84Å
246	L	98.9	Very high	98.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-90.3	-8.3	178.1	-64.4	172.4	0	0	0	113.5	N218 M242 S243 T244 A248 M319 E320 N321 N362	N218-L246 PolarHBondContact ND2-O 2.85Å; M242-L246 HydrophobicContact CB-CD1 4.31Å; M242-L246 HydrophobicContact SD-CB 4.28Å; S243-L246 PolarHBondContact O-N 2.87Å; T244-L246 PolarHBondContact O-N 3.36Å; T244-L246 VanDerWaalsContact O-N 3.17Å; L246-A248 PolarHBondContact O-N 2.86Å; L246-M319 HydrophobicContact CD2-CE 4.05Å; L246-E320 HydrophobicContact CD2-CG 3.79Å; L246-N321 WeakPolarHBondContact O-CB 3.38Å; L246-N362 HydrophobicContact CD1-CB 4.08Å; L246-N362 VanDerWaalsContact CD1-OD1 3.29Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.48Å; L246-N362 WeakPolarHBondContact CD2-OD1 2.83Å
247	V	98.9	Very high	98.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.			trans	-61.9	134.1	173.6	176.7	0	0	0	0	108.9	L65 F182 F191 F203 I205 M242 T244 F249	L65-V247 HydrophobicContact CD1-CG1 4.22Å; F182-V247 HydrophobicContact CD2-CB 4.08Å; F182-V247 WeakPolarHBondContact CD2-O 3.04Å; F182-V247 HydrophobicContact CE2-CB 3.94Å; F182-V247 HydrophobicContact CE2-CG1 3.99Å; F182-V247 WeakPolarHBondContact CE2-O 3.12Å; F191-V247 HydrophobicContact CE1-CB 4.26Å; F191-V247 HydrophobicContact CE1-CG1 4Å; F191-V247 HydrophobicContact CZ-CB 4.18Å; F191-V247 HydrophobicContact CZ-CG1 4.25Å; F191-V247 HydrophobicContact CZ-CG2 4.04Å; F203-V247 HydrophobicContact CD1-CG2 3.65Å; F203-V247 HydrophobicContact CD2-CG2 4.06Å; F203-V247 HydrophobicContact CE1-CG2 3.63Å; F203-V247 HydrophobicContact CE2-CG2 4.04Å; F203-V247 HydrophobicContact CG-CG2 3.89Å; F203-V247 HydrophobicContact CZ-CG2 3.84Å; I205-V247 HydrophobicContact CD1-CG1 3.66Å; M242-V247 HydrophobicContact CE-CB 4.38Å; M242-V247 HydrophobicContact CE-CG2 3.7Å; T244-V247 WeakPolarHBondContact O-CB 3.28Å; T244-V247 WeakPolarHBondContact O-CG2 3.16Å; T244-V247 PolarHBondContact O-N 3.47Å; T244-V247 VanDerWaalsContact O-N 3.14Å; V247-F249 HydrophobicContact CG1-CD1 4.26Å; V247-F249 HydrophobicContact CG1-CE1 4.17Å
248	A	98.9	Very high	98.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.			trans	-143.5	144.5	176.9	0	0	0	0	0	112.5	T180 S217 N218 L246 N321 L324	T180-A248 VanDerWaalsContact OG1-CA 3.3Å; T180-A248 WeakPolarHBondContact OG1-CA 3.29Å; S217-A248 VanDerWaalsContact CA-O 3.3Å; S217-A248 WeakPolarHBondContact CA-O 3.47Å; S217-A248 WeakPolarHBondContact CB-O 3.39Å; S217-A248 PolarHBondContact OG-O 3.1Å; N218-A248 PolarHBondContact N-O 3.28Å; N218-A248 PolarHBondContact OD1-N 3.21Å; N218-A248 PolarHBondContact OD1-O 2.83Å; L246-A248 PolarHBondContact O-N 2.86Å; A248-N321 HydrophobicContact CB-CB 3.54Å; A248-L324 HydrophobicContact CB-CB 4.4Å; A248-L324 HydrophobicContact CB-CD2 4.06Å; A248-L324 HydrophobicContact CB-CG 4.4Å
249	F	98.9	Very high	98.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.5	168.1	44.6	-94.6	0	0	0	110.8	I67 F162 T180 F182 A190 I205 I207 I216 V247	I67-F249 HydrophobicContact CD1-CZ 4.42Å; I67-F249 HydrophobicContact CG1-CE1 4.32Å; I67-F249 HydrophobicContact CG1-CE2 4.28Å; I67-F249 HydrophobicContact CG1-CZ 3.94Å; I67-F249 HydrophobicContact CG2-CE2 4.19Å; F162-F249 HydrophobicContact CD1-CE2 4.03Å; F162-F249 HydrophobicContact CD2-CD2 4.2Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.02Å; F162-F249 AromaticContact CE2-CD2 3.86Å; F162-F249 HydrophobicContact CE2-CD2 3.86Å; F162-F249 AromaticContact CE2-CE2 3.65Å; F162-F249 HydrophobicContact CE2-CE2 3.65Å; F162-F249 AromaticContact CG-CE2 3.85Å; F162-F249 HydrophobicContact CG-CE2 3.85Å; F162-F249 HydrophobicContact CZ-CD2 4.17Å; F162-F249 AromaticContact CZ-CE2 3.84Å; F162-F249 HydrophobicContact CZ-CE2 3.84Å; T180-F249 HydrophobicContact CG2-CD1 4.27Å; T180-F249 HydrophobicContact CG2-CD2 3.68Å; T180-F249 HydrophobicContact CG2-CE1 4.09Å; T180-F249 HydrophobicContact CG2-CE2 3.48Å; T180-F249 VanDerWaalsContact CG2-CE2 3.48Å; T180-F249 HydrophobicContact CG2-CG 4.07Å; T180-F249 HydrophobicContact CG2-CZ 3.71Å; T180-F249 WeakPolarHBondContact CG2-O 3.3Å; T180-F249 PolarHBondContact OG1-N 3.22Å; T180-F249 VanDerWaalsContact OG1-N 3.08Å; T180-F249 PolarHBondContact OG1-O 2.92Å; F182-F249 HydrophobicContact CE2-CE1 4.39Å; F182-F249 HydrophobicContact CZ-CE1 4.2Å; F182-F249 HydrophobicContact CZ-CZ 4.15Å; A190-F249 HydrophobicContact CB-CZ 4.34Å; I205-F249 HydrophobicContact CG2-CD1 4.41Å; I207-F249 HydrophobicContact CD1-CB 3.92Å; I207-F249 HydrophobicContact CD1-CD1 4.4Å; I207-F249 HydrophobicContact CD1-CD2 4.04Å; I207-F249 HydrophobicContact CD1-CG 3.86Å; I207-F249 HydrophobicContact CG1-CB 4.34Å; I216-F249 CarbonylContact O-C 3.55Å; I216-F249 VanDerWaalsContact O-CA 3.26Å; I216-F249 WeakPolarHBondContact O-CA 3.46Å; V247-F249 HydrophobicContact CG1-CD1 4.26Å; V247-F249 HydrophobicContact CG1-CE1 4.17Å
250	I	98.9	Very high	98.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	-178	-57.8	170.1	0	0	0	108.4	L177 A178 A215 I216 F254 A309 I311 L324 T326	L177-I250 HydrophobicContact CD1-CG2 4.41Å; A178-I250 WeakPolarHBondContact O-CA 3.48Å; A215-I250 VanDerWaalsContact CA-O 3.28Å; A215-I250 WeakPolarHBondContact CA-O 3.48Å; I216-I250 HydrophobicContact CD1-CB 4.43Å; I216-I250 HydrophobicContact CD1-CD1 4.22Å; I216-I250 HydrophobicContact CG1-CB 3.86Å; I216-I250 HydrophobicContact CG1-CD1 4.38Å; I216-I250 HydrophobicContact CG1-CG1 4.49Å; I216-I250 PolarHBondContact N-O 3.09Å; I216-I250 PolarHBondContact O-N 3.12Å; I250-F254 HydrophobicContact CG2-CE2 4.47Å; I250-A309 HydrophobicContact CD1-CB 3.79Å; I250-I311 HydrophobicContact CD1-CD1 3.75Å; I250-L324 HydrophobicContact CD1-CD1 4.19Å; I250-L324 HydrophobicContact CD1-CD2 4.08Å; I250-L324 HydrophobicContact CD1-CG 4.29Å; I250-L324 HydrophobicContact CG1-CD2 4.21Å; I250-T326 HydrophobicContact CD1-CG2 3.96Å
251	I	98.9	Very high	98.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.4	171.4	-56.6	168	0	0	0	107.4	A69 L71 F162 L177 A178 I207 R209 H213 L214	A69-I251 HydrophobicContact CB-CD1 3.6Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CD1 4.49Å; L71-I251 HydrophobicContact CD1-CG2 3.92Å; L71-I251 HydrophobicContact CD2-CG2 4.1Å; F162-I251 HydrophobicContact CZ-CD1 4.17Å; L177-I251 WeakPolarHBondContact CA-O 3.42Å; L177-I251 WeakPolarHBondContact CB-O 3.25Å; A178-I251 PolarHBondContact N-O 2.95Å; A178-I251 PolarHBondContact O-N 2.79Å; I207-I251 HydrophobicContact CG2-CD1 3.64Å; I207-I251 HydrophobicContact CG2-CG1 3.78Å; R209-I251 HydrophobicContact CB-CG2 4.27Å; H213-I251 HydrophobicContact CB-CG2 3.81Å; L214-I251 WeakPolarHBondContact O-CA 3.44Å
252	S	98.8	Very high	98.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-172.6	-173.3	69.4	0	0	0	0	111.5	H213 L214 F254	H213-S252 CarbonylContact C-O 3.47Å; H213-S252 VanDerWaalsContact CA-O 3.26Å; H213-S252 WeakPolarHBondContact CA-O 3.06Å; H213-S252 WeakPolarHBondContact CB-O 3.24Å; L214-S252 PolarHBondContact N-O 3.15Å; L214-S252 PolarHBondContact O-N 3.32Å; L214-S252 VanDerWaalsContact O-N 3.07Å; S252-F254 WeakPolarHBondContact OG-CB 3.48Å; S252-F254 WeakPolarHBondContact OG-CD2 3.38Å; S252-F254 WeakPolarHBondContact OG-CG 3.38Å; S252-F254 PolarHBondContact OG-N 2.86Å
253	D	98.6	Very high	98.8	Very high	33 Å²	33	31.9 Å²	31.9	18%	0.176	17%	0.17	C	C	.	.			trans	-119.9	33.4	168	58.9	-11.2	0	0	0	110.8	Y167 R175 P273	Y167-D253 WeakPolarHBondContact CE1-OD1 3.49Å; Y167-D253 PolarHBondContact OH-OD1 3.38Å; Y167-D253 PolarHBondContact OH-OD2 3.47Å; R175-D253 IonicContact CZ-OD2 3.22Å; R175-D253 IonicContact NH1-OD2 3.25Å; R175-D253 PolarHBondContact NH1-OD2 2.87Å; D253-P273 WeakPolarHBondContact O-CG 3.02Å
254	F	98.9	Very high	98.8	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.057	19%	0.194	C	C	.	.			trans	-63.8	150.7	178.5	-70.5	-11.8	0	0	0	112.6	L177 I250 S252 Y270 A271 V272 A310 I311	L177-F254 HydrophobicContact CD1-CZ 4.05Å; L177-F254 HydrophobicContact CD2-CE1 4Å; L177-F254 HydrophobicContact CD2-CZ 4.08Å; I250-F254 HydrophobicContact CG2-CE2 4.47Å; S252-F254 WeakPolarHBondContact OG-CB 3.48Å; S252-F254 WeakPolarHBondContact OG-CD2 3.38Å; S252-F254 WeakPolarHBondContact OG-CG 3.38Å; S252-F254 PolarHBondContact OG-N 2.86Å; F254-Y270 HydrophobicContact CB-CD1 4.15Å; F254-A271 VanDerWaalsContact CA-O 3.28Å; F254-A271 WeakPolarHBondContact CA-O 3.25Å; F254-A271 VanDerWaalsContact CB-O 3.26Å; F254-A271 WeakPolarHBondContact CB-O 3.41Å; F254-V272 HydrophobicContact CD1-CG1 4.08Å; F254-V272 HydrophobicContact CE1-CG1 3.59Å; F254-A310 WeakPolarHBondContact CZ-O 3.41Å; F254-I311 HydrophobicContact CE2-CD1 4.1Å; F254-I311 HydrophobicContact CZ-CD1 4.49Å
255	E	98.8	Very high	98.8	Very high	102 Å²	102	34.5 Å²	34.5	48%	0.477	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	166.1	165.1	-66.8	-169.9	171	0	0	110.1	Y270 A271 P273 I276	E255-Y270 WeakPolarHBondContact O-CA 3.45Å; E255-A271 PolarHBondContact N-O 3.2Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.14Å; E255-P273 HydrophobicContact CG-CB 4.08Å; E255-P273 HydrophobicContact CG-CG 4.13Å; E255-I276 HydrophobicContact CB-CB 4.23Å; E255-I276 HydrophobicContact CB-CG1 4.04Å; E255-I276 HydrophobicContact CB-CG2 4.39Å; E255-I276 WeakPolarHBondContact O-CD1 3.42Å
256	S	98.9	Very high	98.8	Very high	52 Å²	52	39 Å²	39	36%	0.364	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.4	177.3	60.8	0	0	0	0	114.5	V269 Y270	S256-V269 WeakPolarHBondContact CA-O 3.42Å; S256-V269 WeakPolarHBondContact CB-O 3.3Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å
257	V	98.9	Very high	98.8	Very high	40 Å²	40	39.1 Å²	39.1	24%	0.242	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	164.8	-70.3	0	0	0	0	108.6	S268 V269 I276 A279 L283	V257-S268 CarbonylContact O-C 3.58Å; V257-S268 WeakPolarHBondContact O-CA 3.38Å; V257-V269 HydrophobicContact CG2-CB 4.19Å; V257-V269 PolarHBondContact N-O 2.91Å; V257-V269 VanDerWaalsContact N-O 3.14Å; V257-V269 PolarHBondContact O-N 3.17Å; V257-I276 HydrophobicContact CG1-CG1 4.23Å; V257-I276 HydrophobicContact CG2-CD1 4.41Å; V257-A279 HydrophobicContact CG2-CB 3.62Å; V257-L283 HydrophobicContact CB-CD2 4.07Å; V257-L283 HydrophobicContact CG2-CD2 3.89Å
258	S	98.9	Very high	98.8	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151	-175.2	-58.2	0	0	0	0	113.1	K266 V267 S268	S258-K266 VanDerWaalsContact OG-CE 3.25Å; S258-K266 WeakPolarHBondContact OG-CE 3.41Å; S258-V267 CarbonylContact C-O 3.16Å; S258-V267 WeakPolarHBondContact CA-O 3.41Å; S258-V267 WeakPolarHBondContact CB-O 3.46Å; S258-S268 WeakPolarHBondContact OG-CB 3.28Å; S258-S268 PolarHBondContact OG-OG 3.33Å
259	K	98.8	Very high	98.8	Very high	88 Å²	88	39.1 Å²	39.1	38%	0.383	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.7	172.5	-170	171.4	-177.6	-174.6	0	109	V267 L283 D284 V287	K259-V267 PolarHBondContact N-O 2.78Å; K259-V267 PolarHBondContact O-N 3.09Å; K259-V267 VanDerWaalsContact O-O 3.09Å; K259-L283 HydrophobicContact CB-CD1 3.92Å; K259-L283 HydrophobicContact CB-CD2 4.03Å; K259-L283 HydrophobicContact CB-CG 3.97Å; K259-D284 IonicContact NZ-OD1 3.28Å; K259-D284 PolarHBondContact NZ-OD1 3.14Å; K259-V287 HydrophobicContact CB-CG2 3.91Å; K259-V287 HydrophobicContact CD-CB 4.44Å; K259-V287 HydrophobicContact CD-CG1 4.46Å; K259-V287 HydrophobicContact CD-CG2 4Å; K259-V287 HydrophobicContact CG-CG2 4Å
260	I	98.9	Very high	98.8	Very high	95 Å²	95	40.4 Å²	40.4	49%	0.487	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.8	-179.9	-50.1	-58.4	0	0	0	108.3	V265 K266	I260-V265 WeakPolarHBondContact CA-O 3.45Å; I260-K266 HydrophobicContact CD1-CB 3.6Å; I260-K266 HydrophobicContact CD1-CD 4.43Å; I260-K266 HydrophobicContact CD1-CG 3.66Å
261	T	98.8	Very high	98.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	22%	0.221	C	C	.	.			trans	-69.6	165.9	172	65	0	0	0	0	111.3	S263 G264 V265 V267 V287 L290 E291	T261-S263 PolarHBondContact O-N 3.46Å; T261-S263 PolarHBondContact OG1-N 2.98Å; T261-S263 PolarHBondContact OG1-OG 3.45Å; T261-G264 PolarHBondContact O-N 2.93Å; T261-G264 PolarHBondContact OG1-N 3.18Å; T261-V265 HydrophobicContact CG2-CB 4.13Å; T261-V265 PolarHBondContact N-O 3.22Å; T261-V265 WeakPolarHBondContact OG1-CB 3.39Å; T261-V265 PolarHBondContact OG1-N 3.3Å; T261-V267 HydrophobicContact CG2-CG2 3.84Å; T261-V287 HydrophobicContact CG2-CG1 4.28Å; T261-L290 HydrophobicContact CG2-CD2 4.05Å; T261-E291 VanDerWaalsContact CA-OE1 3.31Å; T261-E291 WeakPolarHBondContact CA-OE1 3.23Å; T261-E291 HydrophobicContact CG2-CG 4.19Å
262	K	98.4	Very high	98.8	Very high	121 Å²	121	40.4 Å²	40.4	53%	0.526	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.8	170.7	73.9	-168.3	-178	-177	0	113.6	G264 E291 D295	K262-G264 VanDerWaalsContact C-N 3.31Å; K262-E291 HydrophobicContact CD-CB 4.35Å; K262-E291 HydrophobicContact CD-CG 4.07Å; K262-E291 HydrophobicContact CG-CG 3.97Å; K262-E291 PolarHBondContact N-OE1 2.85Å; K262-D295 WeakPolarHBondContact CE-OD1 3.47Å; K262-D295 IonicContact NZ-OD1 3.71Å; K262-D295 PolarHBondContact NZ-OD1 3.48Å; K262-D295 IonicContact NZ-OD2 3.41Å; K262-D295 PolarHBondContact NZ-OD2 3.38Å
263	S	97.8	Very high	98.8	Very high	59 Å²	59	42.2 Å²	42.2	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.1	176.1	50.8	0	0	0	0	113.3	T261 E294	T261-S263 PolarHBondContact O-N 3.46Å; T261-S263 PolarHBondContact OG1-N 2.98Å; T261-S263 PolarHBondContact OG1-OG 3.45Å; S263-E294 WeakPolarHBondContact CB-OE2 3.4Å; S263-E294 PolarHBondContact OG-OE1 3.14Å; S263-E294 PolarHBondContact OG-OE2 3.17Å
264	G	98.6	Very high	98.8	Very high	49 Å²	49	43 Å²	43	51%	0.505	24%	0.237	S	C	.	.			trans	92.5	7.6	177.6	0	0	0	0	0	114.9	T261 K262	T261-G264 PolarHBondContact O-N 2.93Å; T261-G264 PolarHBondContact OG1-N 3.18Å; K262-G264 VanDerWaalsContact C-N 3.31Å
265	V	98.9	Very high	98.7	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.048	25%	0.248	C	C	.	.			trans	-75	127.9	177.3	-177.3	0	0	0	0	109.4	I260 T261 V267 L290 Y301 Q306	I260-V265 WeakPolarHBondContact CA-O 3.45Å; T261-V265 HydrophobicContact CG2-CB 4.13Å; T261-V265 PolarHBondContact N-O 3.22Å; T261-V265 WeakPolarHBondContact OG1-CB 3.39Å; T261-V265 PolarHBondContact OG1-N 3.3Å; V265-V267 PolarHBondContact O-N 2.87Å; V265-L290 HydrophobicContact CB-CD2 4.32Å; V265-L290 HydrophobicContact CG1-CD2 3.98Å; V265-Y301 HydrophobicContact CG1-CD1 3.83Å; V265-Y301 HydrophobicContact CG1-CE1 3.97Å; V265-Y301 HydrophobicContact CG2-CD1 3.92Å; V265-Q306 HydrophobicContact CG1-CB 4.5Å
266	K	98.9	Very high	98.7	Very high	97 Å²	97	41.6 Å²	41.6	42%	0.422	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	109.6	173.4	-177	178.5	-179.9	-172.7	0	110.4	S258 I260 P304 K305 Q306	S258-K266 VanDerWaalsContact OG-CE 3.25Å; S258-K266 WeakPolarHBondContact OG-CE 3.41Å; I260-K266 HydrophobicContact CD1-CB 3.6Å; I260-K266 HydrophobicContact CD1-CD 4.43Å; I260-K266 HydrophobicContact CD1-CG 3.66Å; K266-P304 PolarHBondContact N-O 2.95Å; K266-P304 VanDerWaalsContact N-O 3.07Å; K266-K305 HydrophobicContact CB-CB 4.19Å; K266-K305 CarbonylContact O-C 3.46Å; K266-K305 WeakPolarHBondContact O-CA 3.48Å; K266-K305 VanDerWaalsContact O-CB 3.29Å; K266-K305 WeakPolarHBondContact O-CB 3.22Å; K266-Q306 PolarHBondContact O-N 2.88Å
267	V	98.9	Very high	98.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.7	173.1	-174.7	0	0	0	0	108.9	S258 K259 T261 V265 L283 A286 V287 L290 Q306 L308	S258-V267 CarbonylContact C-O 3.16Å; S258-V267 WeakPolarHBondContact CA-O 3.41Å; S258-V267 WeakPolarHBondContact CB-O 3.46Å; K259-V267 PolarHBondContact N-O 2.78Å; K259-V267 PolarHBondContact O-N 3.09Å; K259-V267 VanDerWaalsContact O-O 3.09Å; T261-V267 HydrophobicContact CG2-CG2 3.84Å; V265-V267 PolarHBondContact O-N 2.87Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.93Å; V267-A286 HydrophobicContact CG1-CB 3.94Å; V267-V287 HydrophobicContact CB-CG2 3.83Å; V267-V287 HydrophobicContact CG1-CG2 4.26Å; V267-V287 HydrophobicContact CG2-CG2 3.84Å; V267-L290 HydrophobicContact CG2-CD2 4.08Å; V267-Q306 CarbonylContact C-O 3.43Å; V267-Q306 VanDerWaalsContact CA-O 3.25Å; V267-Q306 WeakPolarHBondContact CA-O 3.47Å; V267-L308 HydrophobicContact CG1-CD1 3.67Å
268	S	98.9	Very high	98.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.8	175.4	-41.3	0	0	0	0	111.4	V257 S258 Q306 D307 L308	V257-S268 CarbonylContact O-C 3.58Å; V257-S268 WeakPolarHBondContact O-CA 3.38Å; S258-S268 WeakPolarHBondContact OG-CB 3.28Å; S258-S268 PolarHBondContact OG-OG 3.33Å; S268-Q306 PolarHBondContact N-O 2.86Å; S268-D307 WeakPolarHBondContact CB-OD1 3.43Å; S268-D307 CarbonylContact O-C 3.58Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.5Å; S268-D307 PolarHBondContact OG-OD1 3.13Å; S268-L308 PolarHBondContact O-N 3.43Å
269	V	98.9	Very high	98.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	169	-179.7	0	0	0	0	108.4	S256 V257 A279 A282 L283 L308 L332	S256-V269 WeakPolarHBondContact CA-O 3.42Å; S256-V269 WeakPolarHBondContact CB-O 3.3Å; V257-V269 HydrophobicContact CG2-CB 4.19Å; V257-V269 PolarHBondContact N-O 2.91Å; V257-V269 VanDerWaalsContact N-O 3.14Å; V257-V269 PolarHBondContact O-N 3.17Å; V269-A279 HydrophobicContact CB-CB 3.87Å; V269-A279 HydrophobicContact CG1-CB 3.51Å; V269-A282 HydrophobicContact CG2-CB 4.35Å; V269-L283 HydrophobicContact CG2-CB 3.79Å; V269-L283 HydrophobicContact CG2-CD1 4.26Å; V269-L308 CarbonylContact C-O 3.57Å; V269-L308 VanDerWaalsContact CA-O 3.29Å; V269-L308 WeakPolarHBondContact CA-O 3.34Å; V269-L308 HydrophobicContact CG2-CB 4.29Å; V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.31Å
270	Y	98.9	Very high	98.7	Very high	26 Å²	26	42.4 Å²	42.4	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.5	176.4	-73.4	-96.7	0	0	0	110.8	L214 I216 F254 E255 S256 D307 L308 A310	L214-Y270 HydrophobicContact CD2-CD1 4.14Å; L214-Y270 HydrophobicContact CD2-CE1 3.61Å; I216-Y270 HydrophobicContact CD1-CD1 4.17Å; I216-Y270 HydrophobicContact CD1-CD2 4.05Å; I216-Y270 HydrophobicContact CD1-CE1 4.42Å; I216-Y270 HydrophobicContact CD1-CE2 4.29Å; I216-Y270 HydrophobicContact CD1-CG 3.98Å; I216-Y270 HydrophobicContact CG2-CE1 4.14Å; F254-Y270 HydrophobicContact CB-CD1 4.15Å; E255-Y270 WeakPolarHBondContact O-CA 3.45Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å; Y270-D307 HydrophobicContact CD2-CB 4.09Å; Y270-D307 HydrophobicContact CE2-CB 3.97Å; Y270-L308 PolarHBondContact N-O 2.68Å; Y270-A310 PolarHBondContact O-N 2.87Å
271	A	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	170.2	175.3	0	0	0	0	0	110.8	F254 E255 I276 A310 L333	F254-A271 VanDerWaalsContact CA-O 3.28Å; F254-A271 WeakPolarHBondContact CA-O 3.25Å; F254-A271 VanDerWaalsContact CB-O 3.26Å; F254-A271 WeakPolarHBondContact CB-O 3.41Å; E255-A271 PolarHBondContact N-O 3.2Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.14Å; A271-I276 HydrophobicContact CB-CD1 4.02Å; A271-A310 HydrophobicContact CB-CB 4.29Å; A271-L333 HydrophobicContact CB-CD1 4.3Å; A271-L333 HydrophobicContact CB-CD2 4.08Å
272	V	98.8	Very high	98.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.209	C	C	.	.			trans	-56.5	143.8	167.6	-62	0	0	0	0	110	Y167 F254 D274 K275 I276 P312	Y167-V272 HydrophobicContact CD1-CG1 3.56Å; Y167-V272 HydrophobicContact CD2-CB 4.08Å; Y167-V272 HydrophobicContact CD2-CG1 3.75Å; Y167-V272 HydrophobicContact CE1-CG1 3.73Å; Y167-V272 HydrophobicContact CE2-CB 3.98Å; Y167-V272 HydrophobicContact CE2-CG1 3.92Å; Y167-V272 HydrophobicContact CG-CB 4.4Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; F254-V272 HydrophobicContact CD1-CG1 4.08Å; F254-V272 HydrophobicContact CE1-CG1 3.59Å; V272-D274 PolarHBondContact O-N 3.3Å; V272-K275 HydrophobicContact CG2-CB 3.82Å; V272-K275 HydrophobicContact CG2-CD 3.74Å; V272-K275 HydrophobicContact CG2-CG 3.7Å; V272-K275 PolarHBondContact O-N 3.24Å; V272-I276 PolarHBondContact O-N 3.49Å; V272-P312 HydrophobicContact CG1-CG 3.98Å
273	P	98.7	Very high	98.7	Very high	38 Å²	38	34 Å²	34	25%	0.247	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-51.6	-39.7	-174.2	-27.6	32.5	0	0	0	113.5	D253 E255 K275 I276	D253-P273 WeakPolarHBondContact O-CG 3.02Å; E255-P273 HydrophobicContact CG-CB 4.08Å; E255-P273 HydrophobicContact CG-CG 4.13Å; P273-K275 PolarHBondContact O-N 3.28Å; P273-I276 WeakPolarHBondContact O-CG2 3.19Å; P273-I276 PolarHBondContact O-N 3.33Å
274	D	98.5	Very high	98.8	Very high	48 Å²	48	34.8 Å²	34.8	26%	0.257	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-69	-13.5	-177.7	-83.8	-38.3	0	0	0	115.6	K170 V272	K170-D274 VanDerWaalsContact CD-OD1 3.3Å; K170-D274 WeakPolarHBondContact CD-OD1 3.11Å; K170-D274 VanDerWaalsContact CE-OD1 3.29Å; K170-D274 WeakPolarHBondContact CE-OD1 3.38Å; K170-D274 HydrophobicContact CG-CB 4.5Å; K170-D274 PolarHBondContact N-OD2 2.82Å; K170-D274 IonicContact NZ-OD1 2.69Å; K170-D274 PolarHBondContact NZ-OD1 2.8Å; V272-D274 PolarHBondContact O-N 3.3Å
275	K	98.6	Very high	98.8	Very high	65 Å²	65	32.5 Å²	32.5	28%	0.283	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-122	3.3	-177	-59.6	-179.5	-175.9	162.1	0	113.5	V272 P273 N277 Q278 E329 L333	V272-K275 HydrophobicContact CG2-CB 3.82Å; V272-K275 HydrophobicContact CG2-CD 3.74Å; V272-K275 HydrophobicContact CG2-CG 3.7Å; V272-K275 PolarHBondContact O-N 3.24Å; P273-K275 PolarHBondContact O-N 3.28Å; K275-N277 PolarHBondContact O-N 3.45Å; K275-N277 VanDerWaalsContact O-N 3.15Å; K275-Q278 WeakPolarHBondContact O-CB 3.24Å; K275-Q278 PolarHBondContact O-N 3.34Å; K275-E329 WeakPolarHBondContact CD-OE1 3.28Å; K275-E329 IonicContact NZ-OE1 2.72Å; K275-E329 PolarHBondContact NZ-OE1 2.73Å; K275-E329 IonicContact NZ-OE2 2.88Å; K275-E329 PolarHBondContact NZ-OE2 2.88Å; K275-L333 HydrophobicContact CB-CD1 3.84Å; K275-L333 HydrophobicContact CD-CD1 4Å
276	I	98.7	Very high	98.8	Very high	22 Å²	22	32.2 Å²	32.2	11%	0.113	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.2	-177.4	-166.2	56.8	0	0	0	112.7	E255 V257 A271 V272 P273 Q278 A279	E255-I276 HydrophobicContact CB-CB 4.23Å; E255-I276 HydrophobicContact CB-CG1 4.04Å; E255-I276 HydrophobicContact CB-CG2 4.39Å; E255-I276 WeakPolarHBondContact O-CD1 3.42Å; V257-I276 HydrophobicContact CG1-CG1 4.23Å; V257-I276 HydrophobicContact CG2-CD1 4.41Å; A271-I276 HydrophobicContact CB-CD1 4.02Å; V272-I276 PolarHBondContact O-N 3.49Å; P273-I276 WeakPolarHBondContact O-CG2 3.19Å; P273-I276 PolarHBondContact O-N 3.33Å; I276-Q278 PolarHBondContact O-N 3.37Å; I276-Q278 VanDerWaalsContact O-N 3.14Å; I276-A279 HydrophobicContact CD1-CB 4.04Å; I276-A279 WeakPolarHBondContact O-CB 2.98Å; I276-A279 PolarHBondContact O-N 2.78Å; I276-A279 VanDerWaalsContact O-N 3.14Å
277	N	98.4	Very high	98.8	Very high	115 Å²	115	27.9 Å²	27.9	62%	0.615	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-66.3	-7.6	173.5	67.4	-24.7	0	0	0	114.7	K275	K275-N277 PolarHBondContact O-N 3.45Å; K275-N277 VanDerWaalsContact O-N 3.15Å
278	Q	98.8	Very high	98.8	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-97.9	2.4	175.8	-61.7	176.3	31.7	0	0	112.6	K275 I276 L333 F334 D335	K275-Q278 WeakPolarHBondContact O-CB 3.24Å; K275-Q278 PolarHBondContact O-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.37Å; I276-Q278 VanDerWaalsContact O-N 3.14Å; Q278-L333 HydrophobicContact CB-CB 3.89Å; Q278-L333 HydrophobicContact CB-CD2 4.5Å; Q278-F334 WeakPolarHBondContact CA-O 3.35Å; Q278-F334 WeakPolarHBondContact CB-O 3.28Å; Q278-F334 PolarHBondContact O-N 2.97Å; Q278-D335 HydrophobicContact CG-CB 4.28Å
279	A	98.8	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.			trans	-84.8	-20.4	-172.8	0	0	0	0	0	114.3	V257 V269 I276 Y281 A282 L283	V257-A279 HydrophobicContact CG2-CB 3.62Å; V269-A279 HydrophobicContact CB-CB 3.87Å; V269-A279 HydrophobicContact CG1-CB 3.51Å; I276-A279 HydrophobicContact CD1-CB 4.04Å; I276-A279 WeakPolarHBondContact O-CB 2.98Å; I276-A279 PolarHBondContact O-N 2.78Å; I276-A279 VanDerWaalsContact O-N 3.14Å; A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.1Å; A279-A282 PolarHBondContact O-N 2.98Å; A279-A282 VanDerWaalsContact O-N 3.15Å; A279-L283 PolarHBondContact O-N 2.81Å
280	D	98.8	Very high	98.8	Very high	91 Å²	91	30.5 Å²	30.5	49%	0.487	16%	0.159	S	C	.	.	H	α-helix	trans	-58.7	-40.8	-169.3	-68.4	-22.5	0	0	0	112.9	A282 L283 D284	D280-A282 PolarHBondContact O-N 3.22Å; D280-L283 PolarHBondContact O-N 2.77Å; D280-D284 PolarHBondContact O-N 3.28Å
281	Y	98.8	Very high	98.8	Very high	35 Å²	35	31.2 Å²	31.2	14%	0.137	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-47.4	178.3	179.7	-108	0	0	0	112.3	A279 L283 D284 A285 F334 K344 I347 T348	A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.1Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-D284 PolarHBondContact O-N 3.06Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.11Å; Y281-F334 HydrophobicContact CD1-CB 4.07Å; Y281-F334 HydrophobicContact CD1-CG 4.25Å; Y281-F334 HydrophobicContact CG-CB 4.22Å; Y281-F334 HydrophobicContact CG-CD1 4.21Å; Y281-F334 HydrophobicContact CG-CG 4.24Å; Y281-K344 HydrophobicContact CD1-CG 4.41Å; Y281-K344 HydrophobicContact CE1-CG 3.71Å; Y281-K344 HydrophobicContact CE2-CD 4.21Å; Y281-K344 HydrophobicContact CE2-CG 4.09Å; Y281-K344 WeakPolarHBondContact OH-CE 3.36Å; Y281-K344 WeakPolarHBondContact OH-CG 3.22Å; Y281-I347 HydrophobicContact CD1-CG2 3.96Å; Y281-I347 HydrophobicContact CE1-CB 4.36Å; Y281-I347 HydrophobicContact CE1-CG2 4.04Å; Y281-T348 PolarHBondContact OH-OG1 3.38Å
282	A	98.9	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-35.9	178.7	0	0	0	0	0	111.8	V269 A279 D280 A286 L332 I347	V269-A282 HydrophobicContact CG2-CB 4.35Å; A279-A282 PolarHBondContact O-N 2.98Å; A279-A282 VanDerWaalsContact O-N 3.15Å; D280-A282 PolarHBondContact O-N 3.22Å; A282-A286 WeakPolarHBondContact O-CB 3.36Å; A282-A286 PolarHBondContact O-N 3.13Å; A282-L332 HydrophobicContact CB-CD1 3.58Å; A282-L332 HydrophobicContact CB-CG 3.95Å; A282-L332 VanDerWaalsContact CB-O 3.28Å; A282-L332 WeakPolarHBondContact CB-O 3.42Å; A282-I347 HydrophobicContact CB-CG2 4.42Å
283	L	98.9	Very high	98.8	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-47.5	175.9	178.7	61.7	0	0	0	111.2	V257 K259 V267 V269 A279 D280 Y281 V287	V257-L283 HydrophobicContact CB-CD2 4.07Å; V257-L283 HydrophobicContact CG2-CD2 3.89Å; K259-L283 HydrophobicContact CB-CD1 3.92Å; K259-L283 HydrophobicContact CB-CD2 4.03Å; K259-L283 HydrophobicContact CB-CG 3.97Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.93Å; V269-L283 HydrophobicContact CG2-CB 3.79Å; V269-L283 HydrophobicContact CG2-CD1 4.26Å; A279-L283 PolarHBondContact O-N 2.81Å; D280-L283 PolarHBondContact O-N 2.77Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; L283-V287 WeakPolarHBondContact O-CG2 3.1Å; L283-V287 PolarHBondContact O-N 3Å; L283-V287 VanDerWaalsContact O-N 3.11Å
284	D	98.9	Very high	98.8	Very high	77 Å²	77	31.2 Å²	31.2	41%	0.412	16%	0.16	S	C	.	.	H	α-helix	trans	-65.4	-46.7	178.2	-79.3	-25.8	0	0	0	111.8	K259 D280 Y281 A286 V287 T288	K259-D284 IonicContact NZ-OD1 3.28Å; K259-D284 PolarHBondContact NZ-OD1 3.14Å; D280-D284 PolarHBondContact O-N 3.28Å; Y281-D284 PolarHBondContact O-N 3.06Å; D284-A286 VanDerWaalsContact C-N 3.34Å; D284-A286 PolarHBondContact O-N 2.76Å; D284-V287 PolarHBondContact O-N 3.13Å; D284-T288 PolarHBondContact O-N 3.36Å; D284-T288 VanDerWaalsContact O-N 3.11Å; D284-T288 PolarHBondContact O-OG1 3.07Å
285	A	98.9	Very high	98.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-44.7	177.2	0	0	0	0	0	111.5	Y281 V287 T288 L289	Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.11Å; A285-V287 PolarHBondContact O-N 2.92Å; A285-T288 PolarHBondContact O-N 2.9Å; A285-L289 HydrophobicContact CB-CD1 4.45Å; A285-L289 VanDerWaalsContact O-CB 3.28Å; A285-L289 WeakPolarHBondContact O-CB 3.44Å; A285-L289 WeakPolarHBondContact O-CD1 3.3Å; A285-L289 VanDerWaalsContact O-CG 3.28Å; A285-L289 WeakPolarHBondContact O-CG 3.34Å; A285-L289 PolarHBondContact O-N 2.72Å
286	A	98.9	Very high	98.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-42.1	-179.6	0	0	0	0	0	112.4	V267 A282 D284 L290 L308 V351 L355	V267-A286 HydrophobicContact CG1-CB 3.94Å; A282-A286 WeakPolarHBondContact O-CB 3.36Å; A282-A286 PolarHBondContact O-N 3.13Å; D284-A286 VanDerWaalsContact C-N 3.34Å; D284-A286 PolarHBondContact O-N 2.76Å; A286-L290 WeakPolarHBondContact O-CB 3.15Å; A286-L290 PolarHBondContact O-N 3.17Å; A286-L308 HydrophobicContact CB-CD1 3.94Å; A286-L308 HydrophobicContact CB-CD2 3.79Å; A286-V351 HydrophobicContact CB-CG1 3.83Å; A286-L355 HydrophobicContact CB-CD1 4.11Å; A286-L355 WeakPolarHBondContact O-CD1 3.26Å
287	V	98.9	Very high	98.8	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-50	175.5	166.6	0	0	0	0	110.8	K259 T261 V267 L283 D284 A285 L289 L290 E291	K259-V287 HydrophobicContact CB-CG2 3.91Å; K259-V287 HydrophobicContact CD-CB 4.44Å; K259-V287 HydrophobicContact CD-CG1 4.46Å; K259-V287 HydrophobicContact CD-CG2 4Å; K259-V287 HydrophobicContact CG-CG2 4Å; T261-V287 HydrophobicContact CG2-CG1 4.28Å; V267-V287 HydrophobicContact CB-CG2 3.83Å; V267-V287 HydrophobicContact CG1-CG2 4.26Å; V267-V287 HydrophobicContact CG2-CG2 3.84Å; L283-V287 WeakPolarHBondContact O-CG2 3.1Å; L283-V287 PolarHBondContact O-N 3Å; L283-V287 VanDerWaalsContact O-N 3.11Å; D284-V287 PolarHBondContact O-N 3.13Å; A285-V287 PolarHBondContact O-N 2.92Å; V287-L289 PolarHBondContact O-N 2.86Å; V287-L290 PolarHBondContact O-N 2.88Å; V287-E291 VanDerWaalsContact O-CG 3.27Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 2.81Å; V287-E291 VanDerWaalsContact O-N 3.08Å
288	T	98.9	Very high	98.8	Very high	58 Å²	58	29.4 Å²	29.4	36%	0.356	16%	0.157	S	C	.	.	H	α-helix	trans	-64.5	-40.9	-178.9	-60	0	0	0	0	112.4	D284 A285 F292 T390	D284-T288 PolarHBondContact O-N 3.36Å; D284-T288 VanDerWaalsContact O-N 3.11Å; D284-T288 PolarHBondContact O-OG1 3.07Å; A285-T288 PolarHBondContact O-N 2.9Å; T288-F292 WeakPolarHBondContact O-CB 3.14Å; T288-F292 PolarHBondContact O-N 2.96Å; T288-T390 HydrophobicContact CG2-CG2 3.83Å
289	L	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.8	-41.6	178.6	-75.7	162.4	0	0	0	112.1	A285 V287 F292 Y293 V351 A352 L355 V387 T390	A285-L289 HydrophobicContact CB-CD1 4.45Å; A285-L289 VanDerWaalsContact O-CB 3.28Å; A285-L289 WeakPolarHBondContact O-CB 3.44Å; A285-L289 WeakPolarHBondContact O-CD1 3.3Å; A285-L289 VanDerWaalsContact O-CG 3.28Å; A285-L289 WeakPolarHBondContact O-CG 3.34Å; A285-L289 PolarHBondContact O-N 2.72Å; V287-L289 PolarHBondContact O-N 2.86Å; L289-F292 WeakPolarHBondContact O-CB 3.45Å; L289-F292 PolarHBondContact O-N 3.43Å; L289-Y293 HydrophobicContact CB-CE2 4.36Å; L289-Y293 WeakPolarHBondContact O-CD2 3.5Å; L289-Y293 PolarHBondContact O-N 3.07Å; L289-V351 HydrophobicContact CD1-CB 4.29Å; L289-V351 HydrophobicContact CD1-CG1 3.84Å; L289-A352 HydrophobicContact CD1-CB 3.88Å; L289-A352 HydrophobicContact CD2-CB 3.86Å; L289-L355 HydrophobicContact CB-CD1 3.76Å; L289-V387 HydrophobicContact CD2-CG2 4.2Å; L289-T390 HydrophobicContact CD2-CG2 4.14Å
290	L	98.9	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.7	-171.1	62.1	0	0	0	110.9	T261 V265 V267 A286 V287 F292 Y293 E294 Y301 Q306 L355 W359	T261-L290 HydrophobicContact CG2-CD2 4.05Å; V265-L290 HydrophobicContact CB-CD2 4.32Å; V265-L290 HydrophobicContact CG1-CD2 3.98Å; V267-L290 HydrophobicContact CG2-CD2 4.08Å; A286-L290 WeakPolarHBondContact O-CB 3.15Å; A286-L290 PolarHBondContact O-N 3.17Å; V287-L290 PolarHBondContact O-N 2.88Å; L290-F292 VanDerWaalsContact C-N 3.32Å; L290-F292 PolarHBondContact O-N 3.25Å; L290-Y293 PolarHBondContact O-N 2.99Å; L290-E294 WeakPolarHBondContact O-CG 3.39Å; L290-E294 PolarHBondContact O-N 2.84Å; L290-Y301 HydrophobicContact CD1-CD2 4.01Å; L290-Y301 HydrophobicContact CD1-CG 4.08Å; L290-Q306 HydrophobicContact CD2-CB 4.38Å; L290-L355 HydrophobicContact CB-CD1 4.24Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; L290-W359 HydrophobicContact CD1-CH2 3.76Å; L290-W359 HydrophobicContact CD1-CZ3 3.97Å
291	E	98.9	Very high	98.8	Very high	41 Å²	41	28.5 Å²	28.5	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-38.7	174.6	-71	178.2	173.4	0	0	112.6	T261 K262 V287 D295	T261-E291 VanDerWaalsContact CA-OE1 3.31Å; T261-E291 WeakPolarHBondContact CA-OE1 3.23Å; T261-E291 HydrophobicContact CG2-CG 4.19Å; K262-E291 HydrophobicContact CD-CB 4.35Å; K262-E291 HydrophobicContact CD-CG 4.07Å; K262-E291 HydrophobicContact CG-CG 3.97Å; K262-E291 PolarHBondContact N-OE1 2.85Å; V287-E291 VanDerWaalsContact O-CG 3.27Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 2.81Å; V287-E291 VanDerWaalsContact O-N 3.08Å; E291-D295 PolarHBondContact O-N 3.42Å; E291-D295 VanDerWaalsContact O-N 3.15Å
292	F	98.9	Very high	98.8	Very high	25 Å²	25	29.1 Å²	29.1	11%	0.11	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.1	168.6	-89.5	0	0	0	111.2	T288 L289 L290 D295 Y296 M382 V385 S386 V389 T390	T288-F292 WeakPolarHBondContact O-CB 3.14Å; T288-F292 PolarHBondContact O-N 2.96Å; L289-F292 WeakPolarHBondContact O-CB 3.45Å; L289-F292 PolarHBondContact O-N 3.43Å; L290-F292 VanDerWaalsContact C-N 3.32Å; L290-F292 PolarHBondContact O-N 3.25Å; F292-D295 PolarHBondContact O-N 3.42Å; F292-Y296 HydrophobicContact CE1-CD2 4.3Å; F292-Y296 HydrophobicContact CE1-CG 4.09Å; F292-Y296 HydrophobicContact CE2-CD2 4.08Å; F292-Y296 AromaticContact CZ-CD2 3.59Å; F292-Y296 HydrophobicContact CZ-CD2 3.59Å; F292-Y296 HydrophobicContact CZ-CE2 4.25Å; F292-Y296 AromaticContact CZ-CG 3.85Å; F292-Y296 HydrophobicContact CZ-CG 3.85Å; F292-Y296 WeakPolarHBondContact O-CB 3.4Å; F292-Y296 PolarHBondContact O-N 3.05Å; F292-M382 HydrophobicContact CE1-CE 4.27Å; F292-V385 HydrophobicContact CZ-CG1 4.18Å; F292-S386 VanDerWaalsContact CE1-CA 3.43Å; F292-S386 VanDerWaalsContact CE1-CB 3.43Å; F292-V389 HydrophobicContact CD2-CB 4.14Å; F292-V389 HydrophobicContact CD2-CG1 3.95Å; F292-V389 HydrophobicContact CE2-CB 3.73Å; F292-V389 HydrophobicContact CE2-CG1 3.81Å; F292-V389 HydrophobicContact CE2-CG2 3.9Å; F292-V389 HydrophobicContact CZ-CG2 4.46Å; F292-T390 HydrophobicContact CB-CG2 3.71Å; F292-T390 HydrophobicContact CD2-CG2 4.17Å; F292-T390 HydrophobicContact CG-CG2 3.98Å
293	Y	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-39.8	-178	-71	-55.3	0	0	0	112.4	L289 L290 D295 Y296 F297 A352 L355 A356 W359 M382 S386	L289-Y293 HydrophobicContact CB-CE2 4.36Å; L289-Y293 WeakPolarHBondContact O-CD2 3.5Å; L289-Y293 PolarHBondContact O-N 3.07Å; L290-Y293 PolarHBondContact O-N 2.99Å; Y293-D295 PolarHBondContact O-N 3.2Å; Y293-Y296 PolarHBondContact O-N 3.3Å; Y293-F297 HydrophobicContact CD1-CD2 4.33Å; Y293-F297 AromaticContact CD1-CE2 3.44Å; Y293-F297 HydrophobicContact CD1-CE2 3.44Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.44Å; Y293-F297 AromaticContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CE1-CE2 4.32Å; Y293-F297 HydrophobicContact CE1-CZ 4.42Å; Y293-F297 HydrophobicContact CG-CE2 4.01Å; Y293-F297 WeakPolarHBondContact O-CB 3.31Å; Y293-F297 WeakPolarHBondContact O-CD2 3.42Å; Y293-F297 PolarHBondContact O-N 3.49Å; Y293-A352 PolarHBondContact OH-O 3.11Å; Y293-L355 HydrophobicContact CD2-CB 3.94Å; Y293-L355 HydrophobicContact CE2-CB 3.74Å; Y293-A356 HydrophobicContact CE1-CB 4.13Å; Y293-A356 HydrophobicContact CE2-CB 4.35Å; Y293-W359 VanDerWaalsContact CB-CZ3 3.44Å; Y293-W359 HydrophobicContact CD2-CZ3 4.33Å; Y293-W359 HydrophobicContact CG-CE3 4.46Å; Y293-W359 HydrophobicContact CG-CZ3 4.14Å; Y293-M382 HydrophobicContact CD1-CE 4.07Å; Y293-M382 HydrophobicContact CE1-CB 4.11Å; Y293-M382 HydrophobicContact CE1-CE 3.61Å; Y293-M382 PolarHBondContact OH-O 2.97Å; Y293-S386 VanDerWaalsContact OH-CB 3.3Å; Y293-S386 WeakPolarHBondContact OH-CB 3.36Å; Y293-S386 PolarHBondContact OH-OG 3.05Å
294	E	98.8	Very high	98.8	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-48	174.2	-70.3	-170.1	114.9	0	0	111.8	S263 L290 S298 I299 P300 Y301 W359	S263-E294 WeakPolarHBondContact CB-OE2 3.4Å; S263-E294 PolarHBondContact OG-OE1 3.14Å; S263-E294 PolarHBondContact OG-OE2 3.17Å; L290-E294 WeakPolarHBondContact O-CG 3.39Å; L290-E294 PolarHBondContact O-N 2.84Å; E294-S298 WeakPolarHBondContact O-CA 3.46Å; E294-S298 PolarHBondContact O-N 3.15Å; E294-I299 PolarHBondContact O-N 2.74Å; E294-P300 WeakPolarHBondContact OE1-CA 3.39Å; E294-Y301 PolarHBondContact OE1-N 2.79Å; E294-W359 HydrophobicContact CG-CH2 4.01Å; E294-W359 HydrophobicContact CG-CZ2 3.92Å
295	D	98.8	Very high	98.8	Very high	96 Å²	96	29.2 Å²	29.2	51%	0.513	17%	0.17	S	C	.	.	H	α-helix	trans	-67.5	-40.7	177.7	-72.8	-1.7	0	0	0	112.3	K262 E291 F292 Y293	K262-D295 WeakPolarHBondContact CE-OD1 3.47Å; K262-D295 IonicContact NZ-OD1 3.71Å; K262-D295 PolarHBondContact NZ-OD1 3.48Å; K262-D295 IonicContact NZ-OD2 3.41Å; K262-D295 PolarHBondContact NZ-OD2 3.38Å; E291-D295 PolarHBondContact O-N 3.42Å; E291-D295 VanDerWaalsContact O-N 3.15Å; F292-D295 PolarHBondContact O-N 3.42Å; Y293-D295 PolarHBondContact O-N 3.2Å
296	Y	98.8	Very high	98.8	Very high	31 Å²	31	29.2 Å²	29.2	12%	0.122	17%	0.17	C	C	.	.	H	α-helix	trans	-70.3	-43.6	-174.7	-171.3	-93.2	0	0	0	110.7	F292 Y293 M382 V385 K458	F292-Y296 HydrophobicContact CE1-CD2 4.3Å; F292-Y296 HydrophobicContact CE1-CG 4.09Å; F292-Y296 HydrophobicContact CE2-CD2 4.08Å; F292-Y296 AromaticContact CZ-CD2 3.59Å; F292-Y296 HydrophobicContact CZ-CD2 3.59Å; F292-Y296 HydrophobicContact CZ-CE2 4.25Å; F292-Y296 AromaticContact CZ-CG 3.85Å; F292-Y296 HydrophobicContact CZ-CG 3.85Å; F292-Y296 WeakPolarHBondContact O-CB 3.4Å; F292-Y296 PolarHBondContact O-N 3.05Å; Y293-Y296 PolarHBondContact O-N 3.3Å; Y296-M382 HydrophobicContact CD1-CE 4.09Å; Y296-M382 HydrophobicContact CE1-CE 4.03Å; Y296-V385 HydrophobicContact CE1-CG1 4.44Å; Y296-V385 HydrophobicContact CE2-CG1 4.13Å; Y296-K458 HydrophobicContact CD2-CD 4.36Å; Y296-K458 HydrophobicContact CE1-CD 4.29Å; Y296-K458 HydrophobicContact CE1-CG 3.99Å; Y296-K458 HydrophobicContact CE2-CD 3.89Å; Y296-K458 HydrophobicContact CE2-CG 4.43Å; Y296-K458 WeakPolarHBondContact O-CE 3.39Å; Y296-K458 PolarHBondContact O-NZ 3.23Å
297	F	98.6	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-85.7	-13	179.2	-57.8	-50.5	0	0	0	113.4	Y293 I299 W359 F360 M382 I461 V462 L465	Y293-F297 HydrophobicContact CD1-CD2 4.33Å; Y293-F297 AromaticContact CD1-CE2 3.44Å; Y293-F297 HydrophobicContact CD1-CE2 3.44Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.44Å; Y293-F297 AromaticContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CE1-CE2 4.32Å; Y293-F297 HydrophobicContact CE1-CZ 4.42Å; Y293-F297 HydrophobicContact CG-CE2 4.01Å; Y293-F297 WeakPolarHBondContact O-CB 3.31Å; Y293-F297 WeakPolarHBondContact O-CD2 3.42Å; Y293-F297 PolarHBondContact O-N 3.49Å; F297-I299 HydrophobicContact CB-CB 4.3Å; F297-I299 HydrophobicContact CB-CD1 4.38Å; F297-I299 HydrophobicContact CB-CG1 4.46Å; F297-I299 WeakPolarHBondContact O-CG1 3.25Å; F297-I299 PolarHBondContact O-N 3.32Å; F297-W359 HydrophobicContact CD2-CB 4.23Å; F297-W359 AromaticContact CD2-CD1 3.77Å; F297-W359 AromaticContact CD2-CD2 3.68Å; F297-W359 HydrophobicContact CD2-CD2 3.68Å; F297-W359 AromaticContact CD2-CE2 3.89Å; F297-W359 HydrophobicContact CD2-CE3 4.26Å; F297-W359 AromaticContact CD2-CG 3.64Å; F297-W359 HydrophobicContact CD2-CG 3.64Å; F297-W359 AromaticContact CD2-NE1 3.89Å; F297-W359 HydrophobicContact CE2-CB 4.15Å; F297-W359 AromaticContact CE2-CD2 3.99Å; F297-W359 HydrophobicContact CE2-CD2 3.99Å; F297-W359 HydrophobicContact CE2-CE3 4.2Å; F297-W359 AromaticContact CE2-CG 3.96Å; F297-W359 HydrophobicContact CE2-CG 3.96Å; F297-W359 HydrophobicContact CG-CG 4.46Å; F297-F360 AromaticContact CE1-CE2 3.76Å; F297-F360 HydrophobicContact CE1-CE2 3.76Å; F297-F360 HydrophobicContact CE1-CZ 4.33Å; F297-F360 HydrophobicContact CE2-CE2 4.43Å; F297-F360 HydrophobicContact CZ-CD2 4.22Å; F297-F360 AromaticContact CZ-CE2 3.56Å; F297-F360 HydrophobicContact CZ-CE2 3.56Å; F297-M382 HydrophobicContact CE1-CE 4.05Å; F297-M382 HydrophobicContact CE1-SD 4.31Å; F297-M382 HydrophobicContact CZ-CE 3.65Å; F297-M382 HydrophobicContact CZ-CG 4.31Å; F297-M382 HydrophobicContact CZ-SD 4.12Å; F297-I461 HydrophobicContact CD1-CG2 3.95Å; F297-I461 HydrophobicContact CE1-CG2 3.87Å; F297-V462 WeakPolarHBondContact O-CG1 3.13Å; F297-V462 WeakPolarHBondContact O-CG2 3.21Å; F297-L465 HydrophobicContact CB-CD1 4.28Å; F297-L465 HydrophobicContact CD1-CD1 3.76Å; F297-L465 HydrophobicContact CD2-CD1 4.41Å; F297-L465 HydrophobicContact CE1-CD1 4.18Å; F297-L465 HydrophobicContact CG-CD1 3.9Å
298	S	98.4	Very high	98.8	Very high	84 Å²	84	29.3 Å²	29.3	59%	0.587	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	33.6	-170.4	-58.1	0	0	0	0	112.1	E294	E294-S298 WeakPolarHBondContact O-CA 3.46Å; E294-S298 PolarHBondContact O-N 3.15Å
299	I	98.7	Very high	98.8	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.097	15%	0.153	C	C	.	.			trans	-132.9	114.3	179	-63.2	166.4	0	0	0	105.6	E294 F297 W359 L363 L465 Q466	E294-I299 PolarHBondContact O-N 2.74Å; F297-I299 HydrophobicContact CB-CB 4.3Å; F297-I299 HydrophobicContact CB-CD1 4.38Å; F297-I299 HydrophobicContact CB-CG1 4.46Å; F297-I299 WeakPolarHBondContact O-CG1 3.25Å; F297-I299 PolarHBondContact O-N 3.32Å; I299-W359 WeakPolarHBondContact O-CZ2 3.27Å; I299-W359 PolarHBondContact O-NE1 3.4Å; I299-W359 VanDerWaalsContact O-NE1 3.12Å; I299-L363 HydrophobicContact CG2-CD2 3.94Å; I299-L465 HydrophobicContact CD1-CB 3.47Å; I299-L465 VanDerWaalsContact CD1-CB 3.47Å; I299-L465 HydrophobicContact CD1-CD1 4.27Å; I299-Q466 HydrophobicContact CD1-CG 3.84Å; I299-Q466 HydrophobicContact CG1-CG 4.06Å
300	P	98.8	Very high	98.8	Very high	89 Å²	89	26.5 Å²	26.5	58%	0.578	15%	0.153	S	C	*	.			trans	-66	152.4	-178.7	28.6	-34.8	0	0	0	111	E294	E294-P300 WeakPolarHBondContact OE1-CA 3.39Å
301	Y	98.9	Very high	98.8	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	15%	0.153	C	C	.	.			trans	-67.2	123.5	167.8	178.1	-101.4	0	0	0	108.6	V265 L290 E294 L303 K305 Q306 W322 G323 Q358 W359	V265-Y301 HydrophobicContact CG1-CD1 3.83Å; V265-Y301 HydrophobicContact CG1-CE1 3.97Å; V265-Y301 HydrophobicContact CG2-CD1 3.92Å; L290-Y301 HydrophobicContact CD1-CD2 4.01Å; L290-Y301 HydrophobicContact CD1-CG 4.08Å; E294-Y301 PolarHBondContact OE1-N 2.79Å; Y301-L303 HydrophobicContact CD1-CB 4.33Å; Y301-L303 WeakPolarHBondContact CD1-O 3.36Å; Y301-L303 HydrophobicContact CE1-CB 3.51Å; Y301-L303 HydrophobicContact CE1-CG 4.14Å; Y301-L303 VanDerWaalsContact CE1-O 3.24Å; Y301-L303 WeakPolarHBondContact CE1-O 3.12Å; Y301-L303 PolarHBondContact O-N 3.16Å; Y301-K305 WeakPolarHBondContact CE1-O 3.17Å; Y301-K305 PolarHBondContact OH-O 3.33Å; Y301-Q306 HydrophobicContact CE1-CB 4.31Å; Y301-Q306 PolarHBondContact OH-OE1 3.05Å; Y301-W322 AromaticContact CE2-CD1 3.99Å; Y301-W322 AromaticContact CE2-NE1 3.74Å; Y301-G323 WeakPolarHBondContact OH-CA 3.48Å; Y301-G323 PolarHBondContact OH-N 3.49Å; Y301-Q358 HydrophobicContact CD2-CB 4.05Å; Y301-Q358 HydrophobicContact CD2-CG 4.37Å; Y301-Q358 HydrophobicContact CE2-CB 3.92Å; Y301-Q358 HydrophobicContact CE2-CG 3.91Å; Y301-W359 HydrophobicContact CD2-CH2 4.42Å
302	P	98.8	Very high	98.8	Very high	48 Å²	48	26 Å²	26	31%	0.312	15%	0.153	S	C	.	.			trans	-82.7	-11.7	-164.7	30.5	-35.3	0	0	0	114.5	W322 Y470	P302-W322 HydrophobicContact CG-CZ2 3.57Å; P302-Y470 WeakPolarHBondContact CB-OH 3.24Å
303	L	98.8	Very high	98.7	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-98.4	150	-175	-44.1	-173.2	0	0	0	111.5	M219 V240 Y301 K305 W322	M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.96Å; M219-L303 HydrophobicContact SD-CD2 3.83Å; M219-L303 HydrophobicContact SD-CG 4.32Å; V240-L303 HydrophobicContact CG1-CD2 3.95Å; V240-L303 HydrophobicContact CG2-CD2 4.05Å; Y301-L303 HydrophobicContact CD1-CB 4.33Å; Y301-L303 WeakPolarHBondContact CD1-O 3.36Å; Y301-L303 HydrophobicContact CE1-CB 3.51Å; Y301-L303 HydrophobicContact CE1-CG 4.14Å; Y301-L303 VanDerWaalsContact CE1-O 3.24Å; Y301-L303 WeakPolarHBondContact CE1-O 3.12Å; Y301-L303 PolarHBondContact O-N 3.16Å; L303-K305 PolarHBondContact O-N 2.85Å; L303-K305 VanDerWaalsContact O-N 3.17Å; L303-W322 HydrophobicContact CD1-CB 4.42Å; L303-W322 HydrophobicContact CD1-CD2 4.48Å; L303-W322 HydrophobicContact CD1-CG 3.84Å
304	P	98.8	Very high	98.5	Very high	71 Å²	71	27.7 Å²	27.7	46%	0.461	16%	0.163	S	C	.	.	S	Bend	trans	-67.5	-16.6	-178.6	-21	33.5	0	0	0	114.7	P220 K266	P220-P304 HydrophobicContact CG-CB 3.95Å; P220-P304 HydrophobicContact CG-CG 4Å; K266-P304 PolarHBondContact N-O 2.95Å; K266-P304 VanDerWaalsContact N-O 3.07Å
305	K	98.9	Very high	98.1	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.9	-175.9	67.9	90.4	-179.6	-178	0	111.8	S217 N218 P220 K266 Y301 L303 D307 G323	S217-K305 PolarHBondContact O-NZ 3.08Å; N218-K305 WeakPolarHBondContact O-CE 3.28Å; N218-K305 PolarHBondContact O-NZ 3.02Å; P220-K305 HydrophobicContact CG-CG 3.86Å; K266-K305 HydrophobicContact CB-CB 4.19Å; K266-K305 CarbonylContact O-C 3.46Å; K266-K305 WeakPolarHBondContact O-CA 3.48Å; K266-K305 VanDerWaalsContact O-CB 3.29Å; K266-K305 WeakPolarHBondContact O-CB 3.22Å; Y301-K305 WeakPolarHBondContact CE1-O 3.17Å; Y301-K305 PolarHBondContact OH-O 3.33Å; L303-K305 PolarHBondContact O-N 2.85Å; L303-K305 VanDerWaalsContact O-N 3.17Å; K305-D307 WeakPolarHBondContact CD-OD2 3.3Å; K305-D307 WeakPolarHBondContact CE-OD2 3.44Å; K305-D307 IonicContact NZ-OD2 3.42Å; K305-D307 PolarHBondContact NZ-OD2 3.19Å; K305-G323 WeakPolarHBondContact CE-O 3.31Å; K305-G323 PolarHBondContact NZ-O 2.88Å
306	Q	98.9	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115	168.3	177.6	59.9	64.9	0	0	109	V265 K266 V267 S268 L290 Y301 L308 T325 L355	V265-Q306 HydrophobicContact CG1-CB 4.5Å; K266-Q306 PolarHBondContact O-N 2.88Å; V267-Q306 CarbonylContact C-O 3.43Å; V267-Q306 VanDerWaalsContact CA-O 3.25Å; V267-Q306 WeakPolarHBondContact CA-O 3.47Å; S268-Q306 PolarHBondContact N-O 2.86Å; L290-Q306 HydrophobicContact CD2-CB 4.38Å; Y301-Q306 HydrophobicContact CE1-CB 4.31Å; Y301-Q306 PolarHBondContact OH-OE1 3.05Å; Q306-L308 HydrophobicContact CG-CD1 4.26Å; Q306-T325 PolarHBondContact NE2-OG1 3.16Å; Q306-L355 HydrophobicContact CG-CD2 3.96Å
307	D	98.9	Very high	97.4	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.2	175.4	-64.1	-28.4	0	0	0	109.9	S268 Y270 K305 G323 L324 T325	S268-D307 WeakPolarHBondContact CB-OD1 3.43Å; S268-D307 CarbonylContact O-C 3.58Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.5Å; S268-D307 PolarHBondContact OG-OD1 3.13Å; Y270-D307 HydrophobicContact CD2-CB 4.09Å; Y270-D307 HydrophobicContact CE2-CB 3.97Å; K305-D307 WeakPolarHBondContact CD-OD2 3.3Å; K305-D307 WeakPolarHBondContact CE-OD2 3.44Å; K305-D307 IonicContact NZ-OD2 3.42Å; K305-D307 PolarHBondContact NZ-OD2 3.19Å; D307-G323 PolarHBondContact N-O 3.14Å; D307-L324 HydrophobicContact CB-CD1 3.65Å; D307-L324 CarbonylContact O-C 3.59Å; D307-L324 WeakPolarHBondContact O-CA 3.05Å; D307-T325 PolarHBondContact O-N 3.15Å; D307-T325 PolarHBondContact O-OG1 3.46Å
308	L	98.9	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.4	173.8	-62.6	84.9	0	0	0	107.9	V267 S268 V269 Y270 A286 Q306 T325 Y327 L332 V351	V267-L308 HydrophobicContact CG1-CD1 3.67Å; S268-L308 PolarHBondContact O-N 3.43Å; V269-L308 CarbonylContact C-O 3.57Å; V269-L308 VanDerWaalsContact CA-O 3.29Å; V269-L308 WeakPolarHBondContact CA-O 3.34Å; V269-L308 HydrophobicContact CG2-CB 4.29Å; Y270-L308 PolarHBondContact N-O 2.68Å; A286-L308 HydrophobicContact CB-CD1 3.94Å; A286-L308 HydrophobicContact CB-CD2 3.79Å; Q306-L308 HydrophobicContact CG-CD1 4.26Å; L308-T325 CarbonylContact C-O 3.59Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; L308-Y327 HydrophobicContact CB-CD2 4.25Å; L308-Y327 HydrophobicContact CB-CE2 3.6Å; L308-Y327 HydrophobicContact CD2-CE2 3.95Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.21Å; L308-Y327 HydrophobicContact CG-CE2 3.89Å; L308-L332 HydrophobicContact CB-CD1 4.13Å; L308-L332 HydrophobicContact CB-CD2 4.02Å; L308-L332 HydrophobicContact CD2-CD1 3.83Å; L308-V351 HydrophobicContact CD2-CG1 4.12Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å
309	A	98.9	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.7	-173.7	0	0	0	0	0	112.2	I250 I311 L324 T325 T326 Y327	I250-A309 HydrophobicContact CD1-CB 3.79Å; A309-I311 HydrophobicContact CB-CD1 3.99Å; A309-I311 PolarHBondContact O-N 3.07Å; A309-L324 HydrophobicContact CB-CD1 4.22Å; A309-T325 PolarHBondContact N-O 2.89Å; A309-T326 HydrophobicContact CB-CG2 4.42Å; A309-T326 WeakPolarHBondContact O-CA 3.23Å; A309-Y327 PolarHBondContact O-N 3.45Å
310	A	98.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	107.9	171.8	0	0	0	0	0	110.4	F254 Y270 A271 E329 L332 L333	F254-A310 WeakPolarHBondContact CZ-O 3.41Å; Y270-A310 PolarHBondContact O-N 2.87Å; A271-A310 HydrophobicContact CB-CB 4.29Å; A310-E329 HydrophobicContact CB-CG 4.26Å; A310-L332 HydrophobicContact CB-CB 4.5Å; A310-L332 HydrophobicContact CB-CD2 3.97Å; A310-L333 HydrophobicContact CB-CD1 3.99Å; A310-L333 HydrophobicContact CB-CD2 4Å; A310-L333 HydrophobicContact CB-CG 3.92Å
311	I	98.8	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127	-179.7	-45.6	-56	0	0	0	109.6	L177 I250 F254 A309 D313 F314 T326 Y327	L177-I311 HydrophobicContact CD1-CG2 4.37Å; I250-I311 HydrophobicContact CD1-CD1 3.75Å; F254-I311 HydrophobicContact CE2-CD1 4.1Å; F254-I311 HydrophobicContact CZ-CD1 4.49Å; A309-I311 HydrophobicContact CB-CD1 3.99Å; A309-I311 PolarHBondContact O-N 3.07Å; I311-D313 WeakPolarHBondContact CG2-O 3.47Å; I311-D313 PolarHBondContact O-N 3.34Å; I311-F314 HydrophobicContact CB-CB 4.28Å; I311-F314 HydrophobicContact CB-CD2 3.98Å; I311-F314 HydrophobicContact CB-CG 4.47Å; I311-F314 HydrophobicContact CG1-CD2 4.04Å; I311-F314 HydrophobicContact CG1-CE2 4.46Å; I311-F314 HydrophobicContact CG2-CD2 4.34Å; I311-T326 HydrophobicContact CD1-CG2 4.22Å; I311-T326 HydrophobicContact CG1-CG2 4.19Å; I311-Y327 PolarHBondContact N-O 3.21Å
312	P	98.4	Very high	97.4	Very high	30 Å²	30	21.9 Å²	21.9	20%	0.195	14%	0.135	C	C	.	.	S	Bend	trans	-58.5	-43.2	-179.8	-27.6	35.5	0	0	0	113.9	T166 Y167 L177 V272	T166-P312 WeakPolarHBondContact O-CB 3.19Å; Y167-P312 HydrophobicContact CD1-CG 4.35Å; Y167-P312 HydrophobicContact CG-CG 4.49Å; L177-P312 HydrophobicContact CD2-CG 3.98Å; V272-P312 HydrophobicContact CG1-CG 3.98Å
313	D	96.3	Very high	97.4	Very high	55 Å²	55	19.6 Å²	19.6	29%	0.294	12%	0.12	S	C	.	.	S	Bend	trans	-113.4	107.3	177.7	-55	-67.6	0	0	0	110	F159 Y163 S165 T166 I311	F159-D313 HydrophobicContact CD1-CB 4.35Å; F159-D313 HydrophobicContact CE1-CB 4.07Å; Y163-D313 WeakPolarHBondContact CE2-O 3.47Å; Y163-D313 PolarHBondContact OH-O 3.28Å; S165-D313 VanDerWaalsContact CA-OD2 3.29Å; S165-D313 WeakPolarHBondContact CA-OD2 3.48Å; S165-D313 WeakPolarHBondContact CB-OD2 3.39Å; S165-D313 WeakPolarHBondContact OG-CB 3.3Å; S165-D313 PolarHBondContact OG-N 3Å; S165-D313 VanDerWaalsContact OG-N 3.14Å; S165-D313 PolarHBondContact OG-OD2 3.02Å; T166-D313 PolarHBondContact N-OD2 2.68Å; I311-D313 WeakPolarHBondContact CG2-O 3.47Å; I311-D313 PolarHBondContact O-N 3.34Å
314	F	94.7	Very high	97.4	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.026	12%	0.118	C	C	.	.			trans	-144.2	136.4	-176.6	-157.8	-103.3	0	0	0	110.8	Y163 I311 S316 M319 T326 R328	Y163-F314 VanDerWaalsContact OH-CD2 3.31Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.48Å; I311-F314 HydrophobicContact CB-CB 4.28Å; I311-F314 HydrophobicContact CB-CD2 3.98Å; I311-F314 HydrophobicContact CB-CG 4.47Å; I311-F314 HydrophobicContact CG1-CD2 4.04Å; I311-F314 HydrophobicContact CG1-CE2 4.46Å; I311-F314 HydrophobicContact CG2-CD2 4.34Å; F314-S316 WeakPolarHBondContact CD1-O 3.26Å; F314-S316 WeakPolarHBondContact CE1-OG 3.32Å; F314-M319 HydrophobicContact CE1-CB 4.48Å; F314-M319 HydrophobicContact CZ-CB 3.8Å; F314-T326 VanDerWaalsContact CE2-OG1 3.28Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.4Å; F314-T326 VanDerWaalsContact CZ-OG1 3.24Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.35Å; F314-R328 HydrophobicContact CB-CG 3.79Å; F314-R328 HydrophobicContact CD1-CG 4.17Å; F314-R328 HydrophobicContact CG-CG 4.47Å; F314-R328 PolarHBondContact O-NE 3.01Å; F314-R328 VanDerWaalsContact O-NE 3.09Å; F314-R328 PolarHBondContact O-NH1 3.48Å; F314-R328 PolarHBondContact O-NH2 2.92Å
315	Q	91.5	Very high	97.4	Very high	114 Å²	114	15.9 Å²	15.9	53%	0.533	10%	0.096	S	C	.	.	S	Bend	trans	-82.5	-51.1	-172.4	174.7	174.6	-5.1	0	0	113.8	F159 R328	F159-Q315 HydrophobicContact CB-CB 3.44Å; F159-Q315 VanDerWaalsContact CB-CB 3.44Å; F159-Q315 HydrophobicContact CB-CG 4.5Å; F159-Q315 HydrophobicContact CD2-CB 3.96Å; F159-Q315 HydrophobicContact CD2-CG 4.46Å; F159-Q315 HydrophobicContact CG-CB 3.87Å; Q315-R328 PolarHBondContact O-NE 2.84Å; Q315-R328 PolarHBondContact O-NH2 2.73Å
316	S	90.3	Very high	97.4	Very high	48 Å²	48	15.3 Å²	15.3	34%	0.336	9%	0.094	S	C	.	.	S	Bend	trans	-81	-172.3	177.4	54	0	0	0	0	110.8	F314 A318 R328	F314-S316 WeakPolarHBondContact CD1-O 3.26Å; F314-S316 WeakPolarHBondContact CE1-OG 3.32Å; S316-A318 PolarHBondContact OG-O 2.82Å; S316-R328 WeakPolarHBondContact O-CD 3.31Å; S316-R328 VanDerWaalsContact O-CG 3.26Å; S316-R328 WeakPolarHBondContact O-CG 3.47Å; S316-R328 PolarHBondContact O-NE 3.07Å
317	G	92.1	Very high	97.4	Very high	38 Å²	38	15.3 Å²	15.3	39%	0.392	9%	0.094	S	C	.	.	S	Bend	trans	-71.1	-49.2	170.5	0	0	0	0	0	111.6	R328	G317-R328 PolarHBondContact O-N 3.5Å
318	A	98.1	Very high	97.4	Very high	13 Å²	13	20 Å²	20	11%	0.107	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-177.2	178.5	0	0	0	0	0	110.6	S316 T326 Y327 T350 E354	S316-A318 PolarHBondContact OG-O 2.82Å; A318-T326 CarbonylContact C-O 3.46Å; A318-T326 WeakPolarHBondContact CA-O 3.46Å; A318-T326 WeakPolarHBondContact CB-O 3.15Å; A318-Y327 HydrophobicContact CB-CD1 3.44Å; A318-Y327 VanDerWaalsContact CB-CD1 3.44Å; A318-Y327 HydrophobicContact CB-CE1 3.8Å; A318-Y327 HydrophobicContact CB-CG 4Å; A318-T350 HydrophobicContact CB-CG2 3.59Å; A318-E354 VanDerWaalsContact CB-CD 3.42Å; A318-E354 HydrophobicContact CB-CG 3.63Å; A318-E354 VanDerWaalsContact CB-OE1 3.28Å; A318-E354 WeakPolarHBondContact CB-OE1 3.33Å
319	M	98.8	Very high	97.4	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	140	176.4	174.3	74.3	-143.2	0	0	110.1	Q181 E183 Y245 L246 F314 N321 T325 T326 E354	Q181-M319 PolarHBondContact NE2-SD 2.81Å; E183-M319 HydrophobicContact CB-CE 3.71Å; E183-M319 HydrophobicContact CB-SD 3.5Å; E183-M319 WeakPolarHBondContact CB-SD 3.29Å; E183-M319 HydrophobicContact CG-CE 4.42Å; E183-M319 HydrophobicContact CG-SD 4.47Å; Y245-M319 HydrophobicContact CD2-CE 3.63Å; Y245-M319 HydrophobicContact CE2-CE 3.75Å; L246-M319 HydrophobicContact CD2-CE 4.05Å; F314-M319 HydrophobicContact CE1-CB 4.48Å; F314-M319 HydrophobicContact CZ-CB 3.8Å; M319-N321 VanDerWaalsContact C-N 3.32Å; M319-N321 WeakPolarHBondContact CG-OD1 3.28Å; M319-N321 PolarHBondContact O-N 3.17Å; M319-N321 PolarHBondContact O-OD1 3.43Å; M319-T325 VanDerWaalsContact O-CA 3.3Å; M319-T325 WeakPolarHBondContact O-CA 3.49Å; M319-T326 PolarHBondContact N-O 3.06Å; M319-T326 PolarHBondContact O-N 3.41Å; M319-E354 WeakPolarHBondContact CA-OE2 3.42Å; M319-E354 PolarHBondContact N-OE2 2.99Å
320	E	98.8	Very high	97.4	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.019	15%	0.15	C	C	.	.			trans	-87.8	17.9	-164.1	74.3	-94.3	-153.7	0	0	115.5	Y245 L246 W322 E354 H357 Q358 N362	Y245-E320 WeakPolarHBondContact CE2-OE1 3.5Å; L246-E320 HydrophobicContact CD2-CG 3.79Å; E320-W322 PolarHBondContact O-N 3.01Å; E320-W322 VanDerWaalsContact O-N 3.16Å; E320-E354 WeakPolarHBondContact CA-OE2 3.48Å; E320-E354 PolarHBondContact N-OE2 2.86Å; E320-E354 VanDerWaalsContact N-OE2 3.07Å; E320-H357 HydrophobicContact CB-CB 3.33Å; E320-H357 HydrophobicContact CG-CB 3.61Å; E320-Q358 PolarHBondContact O-NE2 3.3Å; E320-Q358 VanDerWaalsContact O-NE2 3.08Å; E320-N362 VanDerWaalsContact CG-OD1 3.31Å; E320-N362 WeakPolarHBondContact CG-OD1 3.43Å; E320-N362 PolarHBondContact O-ND2 2.97Å
321	N	98.9	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.			trans	-47.6	126.2	-167.6	-40.7	74.7	0	0	0	111.2	L246 A248 M319 G323 L324 T325 T326	L246-N321 WeakPolarHBondContact O-CB 3.38Å; A248-N321 HydrophobicContact CB-CB 3.54Å; M319-N321 VanDerWaalsContact C-N 3.32Å; M319-N321 WeakPolarHBondContact CG-OD1 3.28Å; M319-N321 PolarHBondContact O-N 3.17Å; M319-N321 PolarHBondContact O-OD1 3.43Å; N321-G323 PolarHBondContact O-N 2.76Å; N321-L324 WeakPolarHBondContact CB-O 3.29Å; N321-L324 CarbonylContact O-C 3.35Å; N321-L324 PolarHBondContact O-N 3.39Å; N321-T325 PolarHBondContact O-N 3.46Å; N321-T326 PolarHBondContact OD1-OG1 3.22Å
322	W	98.9	Very high	97.4	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	114.6	-162.7	-155.2	-11.1	0	0	0	111.8	N218 V240 M242 Y301 P302 L303 E320 L324 N362 L363 Y470	N218-W322 WeakPolarHBondContact CA-O 3.42Å; N218-W322 VanDerWaalsContact CB-O 3.24Å; N218-W322 WeakPolarHBondContact CB-O 3.17Å; N218-W322 PolarHBondContact ND2-O 3.1Å; V240-W322 HydrophobicContact CG2-CD2 4.2Å; V240-W322 HydrophobicContact CG2-CE3 3.8Å; V240-W322 HydrophobicContact CG2-CH2 3.67Å; V240-W322 HydrophobicContact CG2-CZ2 4.1Å; V240-W322 HydrophobicContact CG2-CZ3 3.51Å; M242-W322 HydrophobicContact CB-CE3 3.7Å; M242-W322 HydrophobicContact CB-CZ3 3.96Å; M242-W322 HydrophobicContact SD-CB 4.21Å; M242-W322 HydrophobicContact SD-CE3 4.33Å; Y301-W322 AromaticContact CE2-CD1 3.99Å; Y301-W322 AromaticContact CE2-NE1 3.74Å; P302-W322 HydrophobicContact CG-CZ2 3.57Å; L303-W322 HydrophobicContact CD1-CB 4.42Å; L303-W322 HydrophobicContact CD1-CD2 4.48Å; L303-W322 HydrophobicContact CD1-CG 3.84Å; E320-W322 PolarHBondContact O-N 3.01Å; E320-W322 VanDerWaalsContact O-N 3.16Å; W322-L324 VanDerWaalsContact C-N 3.31Å; W322-L324 PolarHBondContact O-N 3.28Å; W322-N362 WeakPolarHBondContact CA-ND2 3.36Å; W322-N362 HydrophobicContact CB-CB 4.44Å; W322-N362 WeakPolarHBondContact CB-ND2 2.99Å; W322-N362 HydrophobicContact CD2-CB 3.59Å; W322-N362 HydrophobicContact CE3-CB 3.67Å; W322-N362 HydrophobicContact CG-CB 3.96Å; W322-N362 HydrophobicContact CH2-CB 4.35Å; W322-N362 HydrophobicContact CZ2-CB 4.25Å; W322-N362 HydrophobicContact CZ3-CB 4.07Å; W322-N362 WeakPolarHBondContact CZ3-O 3.34Å; W322-L363 HydrophobicContact CH2-CB 4.12Å; W322-L363 HydrophobicContact CH2-CD1 4.15Å; W322-L363 HydrophobicContact CZ2-CB 4.25Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; W322-Y470 HydrophobicContact CH2-CD1 4.04Å; W322-Y470 AromaticContact CH2-CE1 3.78Å; W322-Y470 HydrophobicContact CH2-CE1 3.78Å; W322-Y470 HydrophobicContact CZ2-CE1 4.46Å
323	G	98.9	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-8.7	-176.1	0	0	0	0	0	115.5	Y301 K305 D307 N321	Y301-G323 WeakPolarHBondContact OH-CA 3.48Å; Y301-G323 PolarHBondContact OH-N 3.49Å; K305-G323 WeakPolarHBondContact CE-O 3.31Å; K305-G323 PolarHBondContact NZ-O 2.88Å; D307-G323 PolarHBondContact N-O 3.14Å; N321-G323 PolarHBondContact O-N 2.76Å
324	L	98.9	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	69.2	177.2	-179.5	56.7	0	0	0	110.4	I216 A248 I250 D307 A309 N321 W322	I216-L324 HydrophobicContact CB-CD2 4.49Å; I216-L324 HydrophobicContact CD1-CD1 3.61Å; I216-L324 HydrophobicContact CD1-CD2 4.45Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 4.01Å; A248-L324 HydrophobicContact CB-CB 4.4Å; A248-L324 HydrophobicContact CB-CD2 4.06Å; A248-L324 HydrophobicContact CB-CG 4.4Å; I250-L324 HydrophobicContact CD1-CD1 4.19Å; I250-L324 HydrophobicContact CD1-CD2 4.08Å; I250-L324 HydrophobicContact CD1-CG 4.29Å; I250-L324 HydrophobicContact CG1-CD2 4.21Å; D307-L324 HydrophobicContact CB-CD1 3.65Å; D307-L324 CarbonylContact O-C 3.59Å; D307-L324 WeakPolarHBondContact O-CA 3.05Å; A309-L324 HydrophobicContact CB-CD1 4.22Å; N321-L324 WeakPolarHBondContact CB-O 3.29Å; N321-L324 CarbonylContact O-C 3.35Å; N321-L324 PolarHBondContact O-N 3.39Å; W322-L324 VanDerWaalsContact C-N 3.31Å; W322-L324 PolarHBondContact O-N 3.28Å
325	T	98.9	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.7	178.7	52.5	0	0	0	0	109.9	Q306 D307 L308 A309 M319 N321 Y327 E354	Q306-T325 PolarHBondContact NE2-OG1 3.16Å; D307-T325 PolarHBondContact O-N 3.15Å; D307-T325 PolarHBondContact O-OG1 3.46Å; L308-T325 CarbonylContact C-O 3.59Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; A309-T325 PolarHBondContact N-O 2.89Å; M319-T325 VanDerWaalsContact O-CA 3.3Å; M319-T325 WeakPolarHBondContact O-CA 3.49Å; N321-T325 PolarHBondContact O-N 3.46Å; T325-Y327 WeakPolarHBondContact CB-OH 3.46Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.21Å; T325-Y327 PolarHBondContact OG1-OH 3.18Å; T325-E354 HydrophobicContact CG2-CB 4.06Å
326	T	98.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145	-176.4	55.2	0	0	0	0	110.9	I250 A309 I311 F314 A318 M319 N321	I250-T326 HydrophobicContact CD1-CG2 3.96Å; A309-T326 HydrophobicContact CB-CG2 4.42Å; A309-T326 WeakPolarHBondContact O-CA 3.23Å; I311-T326 HydrophobicContact CD1-CG2 4.22Å; I311-T326 HydrophobicContact CG1-CG2 4.19Å; F314-T326 VanDerWaalsContact CE2-OG1 3.28Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.4Å; F314-T326 VanDerWaalsContact CZ-OG1 3.24Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.35Å; A318-T326 CarbonylContact C-O 3.46Å; A318-T326 WeakPolarHBondContact CA-O 3.46Å; A318-T326 WeakPolarHBondContact CB-O 3.15Å; M319-T326 PolarHBondContact N-O 3.06Å; M319-T326 PolarHBondContact O-N 3.41Å; N321-T326 PolarHBondContact OD1-OG1 3.22Å
327	Y	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.8	-170.8	-58.3	-101.7	0	0	0	110.4	L308 A309 I311 A318 T325 L332 T350 V351 E354	L308-Y327 HydrophobicContact CB-CD2 4.25Å; L308-Y327 HydrophobicContact CB-CE2 3.6Å; L308-Y327 HydrophobicContact CD2-CE2 3.95Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.21Å; L308-Y327 HydrophobicContact CG-CE2 3.89Å; A309-Y327 PolarHBondContact O-N 3.45Å; I311-Y327 PolarHBondContact N-O 3.21Å; A318-Y327 HydrophobicContact CB-CD1 3.44Å; A318-Y327 VanDerWaalsContact CB-CD1 3.44Å; A318-Y327 HydrophobicContact CB-CE1 3.8Å; A318-Y327 HydrophobicContact CB-CG 4Å; T325-Y327 WeakPolarHBondContact CB-OH 3.46Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.21Å; T325-Y327 PolarHBondContact OG1-OH 3.18Å; Y327-L332 HydrophobicContact CD1-CB 4.36Å; Y327-L332 HydrophobicContact CD1-CD1 4Å; Y327-L332 HydrophobicContact CD2-CD1 3.93Å; Y327-L332 HydrophobicContact CD2-CD2 3.71Å; Y327-L332 HydrophobicContact CD2-CG 4.28Å; Y327-L332 HydrophobicContact CE1-CD1 4.12Å; Y327-L332 HydrophobicContact CE2-CD1 4.04Å; Y327-L332 HydrophobicContact CE2-CD2 4.36Å; Y327-L332 HydrophobicContact CG-CB 3.98Å; Y327-L332 HydrophobicContact CG-CD1 3.94Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.22Å; Y327-T350 HydrophobicContact CD1-CG2 3.91Å; Y327-T350 HydrophobicContact CE1-CG2 3.99Å; Y327-V351 HydrophobicContact CE1-CG2 4.33Å; Y327-E354 HydrophobicContact CD1-CG 4.39Å; Y327-E354 HydrophobicContact CE1-CB 4.23Å; Y327-E354 HydrophobicContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact OH-CB 3.23Å; Y327-E354 WeakPolarHBondContact OH-CB 3.34Å; Y327-E354 WeakPolarHBondContact OH-CG 3.46Å
328	R	98.7	Very high	98.6	Very high	108 Å²	108	37.4 Å²	37.4	41%	0.408	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	144.9	152.5	-78.3	177.5	-179.3	-101.9	4.5	109	F314 Q315 S316 G317 S330 A331 L332	F314-R328 HydrophobicContact CB-CG 3.79Å; F314-R328 HydrophobicContact CD1-CG 4.17Å; F314-R328 HydrophobicContact CG-CG 4.47Å; F314-R328 PolarHBondContact O-NE 3.01Å; F314-R328 VanDerWaalsContact O-NE 3.09Å; F314-R328 PolarHBondContact O-NH1 3.48Å; F314-R328 PolarHBondContact O-NH2 2.92Å; Q315-R328 PolarHBondContact O-NE 2.84Å; Q315-R328 PolarHBondContact O-NH2 2.73Å; S316-R328 WeakPolarHBondContact O-CD 3.31Å; S316-R328 VanDerWaalsContact O-CG 3.26Å; S316-R328 WeakPolarHBondContact O-CG 3.47Å; S316-R328 PolarHBondContact O-NE 3.07Å; G317-R328 PolarHBondContact O-N 3.5Å; R328-S330 PolarHBondContact O-N 2.74Å; R328-S330 VanDerWaalsContact O-N 3.17Å; R328-A331 HydrophobicContact CB-CB 4.26Å; R328-A331 PolarHBondContact O-N 3.21Å; R328-L332 PolarHBondContact O-N 3.41Å
329	E	98.6	Very high	98.6	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-52.6	-40.3	173.2	-66.1	-177.2	142.1	0	0	112.4	K275 A310 A331 L332 L333	K275-E329 WeakPolarHBondContact CD-OE1 3.28Å; K275-E329 IonicContact NZ-OE1 2.72Å; K275-E329 PolarHBondContact NZ-OE1 2.73Å; K275-E329 IonicContact NZ-OE2 2.88Å; K275-E329 PolarHBondContact NZ-OE2 2.88Å; A310-E329 HydrophobicContact CB-CG 4.26Å; E329-A331 PolarHBondContact O-N 2.98Å; E329-L332 PolarHBondContact O-N 2.77Å; E329-L333 HydrophobicContact CB-CD1 4.08Å; E329-L333 HydrophobicContact CG-CD1 4.19Å; E329-L333 WeakPolarHBondContact O-CB 3.27Å; E329-L333 PolarHBondContact O-N 2.97Å
330	S	98.4	Very high	98.5	Very high	92 Å²	92	40.7 Å²	40.7	64%	0.643	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.7	-15.6	178.4	60.6	0	0	0	0	114.8	R328	R328-S330 PolarHBondContact O-N 2.74Å; R328-S330 VanDerWaalsContact O-N 3.17Å
331	A	98.6	Very high	98.5	Very high	10 Å²	10	44.6 Å²	44.6	8%	0.083	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-100.2	-1.4	-179.7	0	0	0	0	0	112.8	R328 E329 T350	R328-A331 HydrophobicContact CB-CB 4.26Å; R328-A331 PolarHBondContact O-N 3.21Å; E329-A331 PolarHBondContact O-N 2.98Å; A331-T350 HydrophobicContact CB-CG2 4.15Å
332	L	98.9	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-38.8	-178.5	-164.4	67.9	0	0	0	113.7	V269 A282 L308 A310 Y327 R328 E329 V351	V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.31Å; A282-L332 HydrophobicContact CB-CD1 3.58Å; A282-L332 HydrophobicContact CB-CG 3.95Å; A282-L332 VanDerWaalsContact CB-O 3.28Å; A282-L332 WeakPolarHBondContact CB-O 3.42Å; L308-L332 HydrophobicContact CB-CD1 4.13Å; L308-L332 HydrophobicContact CB-CD2 4.02Å; L308-L332 HydrophobicContact CD2-CD1 3.83Å; A310-L332 HydrophobicContact CB-CB 4.5Å; A310-L332 HydrophobicContact CB-CD2 3.97Å; Y327-L332 HydrophobicContact CD1-CB 4.36Å; Y327-L332 HydrophobicContact CD1-CD1 4Å; Y327-L332 HydrophobicContact CD2-CD1 3.93Å; Y327-L332 HydrophobicContact CD2-CD2 3.71Å; Y327-L332 HydrophobicContact CD2-CG 4.28Å; Y327-L332 HydrophobicContact CE1-CD1 4.12Å; Y327-L332 HydrophobicContact CE2-CD1 4.04Å; Y327-L332 HydrophobicContact CE2-CD2 4.36Å; Y327-L332 HydrophobicContact CG-CB 3.98Å; Y327-L332 HydrophobicContact CG-CD1 3.94Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.22Å; R328-L332 PolarHBondContact O-N 3.41Å; E329-L332 PolarHBondContact O-N 2.77Å; L332-V351 HydrophobicContact CD1-CG2 3.84Å
333	L	98.8	Very high	98.4	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.047	30%	0.299	C	S	.	.			trans	-91	129.1	-171.7	-56.1	-175.9	0	0	0	111.4	A271 K275 Q278 A310 E329 I347	A271-L333 HydrophobicContact CB-CD1 4.3Å; A271-L333 HydrophobicContact CB-CD2 4.08Å; K275-L333 HydrophobicContact CB-CD1 3.84Å; K275-L333 HydrophobicContact CD-CD1 4Å; Q278-L333 HydrophobicContact CB-CB 3.89Å; Q278-L333 HydrophobicContact CB-CD2 4.5Å; A310-L333 HydrophobicContact CB-CD1 3.99Å; A310-L333 HydrophobicContact CB-CD2 4Å; A310-L333 HydrophobicContact CB-CG 3.92Å; E329-L333 HydrophobicContact CB-CD1 4.08Å; E329-L333 HydrophobicContact CG-CD1 4.19Å; E329-L333 WeakPolarHBondContact O-CB 3.27Å; E329-L333 PolarHBondContact O-N 2.97Å; L333-I347 WeakPolarHBondContact O-CD1 3.45Å
334	F	98.8	Very high	98.4	Very high	38 Å²	38	54.3 Å²	54.3	17%	0.167	31%	0.313	C	S	.	.			trans	-120.7	121.2	-178.4	-179.7	-100.7	0	0	0	111.2	Q278 Y281 A336 K344 I347	Q278-F334 WeakPolarHBondContact CA-O 3.35Å; Q278-F334 WeakPolarHBondContact CB-O 3.28Å; Q278-F334 PolarHBondContact O-N 2.97Å; Y281-F334 HydrophobicContact CD1-CB 4.07Å; Y281-F334 HydrophobicContact CD1-CG 4.25Å; Y281-F334 HydrophobicContact CG-CB 4.22Å; Y281-F334 HydrophobicContact CG-CD1 4.21Å; Y281-F334 HydrophobicContact CG-CG 4.24Å; F334-A336 HydrophobicContact CE1-CB 4.11Å; F334-K344 HydrophobicContact CD2-CB 4.06Å; F334-K344 HydrophobicContact CD2-CG 4.21Å; F334-K344 HydrophobicContact CE2-CB 3.64Å; F334-K344 HydrophobicContact CE2-CD 4.12Å; F334-K344 HydrophobicContact CE2-CG 3.89Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.07Å; F334-K344 HydrophobicContact CZ-CG 4.32Å; F334-I347 HydrophobicContact CB-CD1 3.84Å; F334-I347 HydrophobicContact CD2-CD1 4.26Å
335	D	98.4	Very high	98.4	Very high	32 Å²	32	56.3 Å²	56.3	17%	0.171	32%	0.323	C	S	.	.			trans	-102.4	114.1	172.9	-178.7	-30.8	0	0	0	108.8	Q278 E337 K338 S339	Q278-D335 HydrophobicContact CG-CB 4.28Å; D335-E337 PolarHBondContact O-N 2.73Å; D335-E337 VanDerWaalsContact O-N 3.13Å; D335-E337 PolarHBondContact OD1-N 2.54Å; D335-K338 HydrophobicContact CB-CB 4.24Å; D335-K338 PolarHBondContact O-N 2.66Å; D335-K338 VanDerWaalsContact O-N 3.16Å; D335-K338 PolarHBondContact OD1-N 3.45Å; D335-K338 WeakPolarHBondContact OD2-CD 3.4Å; D335-K338 IonicContact OD2-NZ 3.46Å; D335-S339 PolarHBondContact N-OG 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.28Å; D335-S339 PolarHBondContact O-N 3.08Å; D335-S339 PolarHBondContact O-OG 3.47Å
336	A	97.1	Very high	98.4	Very high	89 Å²	89	57.8 Å²	57.8	74%	0.736	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.2	-175.7	0	0	0	0	0	114.4	F334	F334-A336 HydrophobicContact CE1-CB 4.11Å
337	E	97.9	Very high	98.4	Very high	180 Å²	180	57.8 Å²	57.8	84%	0.841	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.5	179.3	-61.8	-171.8	162.6	0	0	112.8	D335	D335-E337 PolarHBondContact O-N 2.73Å; D335-E337 VanDerWaalsContact O-N 3.13Å; D335-E337 PolarHBondContact OD1-N 2.54Å
338	K	97.8	Very high	98.4	Very high	167 Å²	167	57.8 Å²	57.8	73%	0.726	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-29.8	-168.8	-62.4	-179.8	-170	155.7	0	115	D335	D335-K338 HydrophobicContact CB-CB 4.24Å; D335-K338 PolarHBondContact O-N 2.66Å; D335-K338 VanDerWaalsContact O-N 3.16Å; D335-K338 PolarHBondContact OD1-N 3.45Å; D335-K338 WeakPolarHBondContact OD2-CD 3.4Å; D335-K338 IonicContact OD2-NZ 3.46Å
339	S	98.1	Very high	98.4	Very high	36 Å²	36	53.6 Å²	53.6	25%	0.252	32%	0.324	S	S	.	.			trans	-72.2	134.8	-178.7	-66.9	0	0	0	0	110.5	D335	D335-S339 PolarHBondContact N-OG 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.28Å; D335-S339 PolarHBondContact O-N 3.08Å; D335-S339 PolarHBondContact O-OG 3.47Å
340	S	98.4	Very high	98.4	Very high	50 Å²	50	53.3 Å²	53.3	35%	0.35	33%	0.325	S	S	.	.			trans	-75	164.5	177.5	69	0	0	0	0	111.6	S342 S343 K344	S340-S342 PolarHBondContact O-N 3.46Å; S340-S342 PolarHBondContact OG-N 3.11Å; S340-S342 PolarHBondContact OG-OG 3.44Å; S340-S343 WeakPolarHBondContact O-CB 3.35Å; S340-S343 PolarHBondContact O-N 2.84Å; S340-S343 VanDerWaalsContact O-N 3.16Å; S340-S343 PolarHBondContact OG-N 2.87Å; S340-S343 PolarHBondContact OG-OG 2.7Å; S340-K344 PolarHBondContact O-N 3.35Å
341	A	97.9	Very high	98.4	Very high	86 Å²	86	49 Å²	49	71%	0.711	29%	0.294	S	S	*	.	H	α-helix	trans	-58.7	-35.7	169.9	0	0	0	0	0	112.4	K344 L345	A341-K344 PolarHBondContact O-N 3.49Å; A341-L345 PolarHBondContact O-N 3.28Å
342	S	97.6	Very high	98.4	Very high	88 Å²	88	48.5 Å²	48.5	62%	0.615	29%	0.29	S	S	*	.	H	α-helix	trans	-67.9	-36.6	175.6	59.7	0	0	0	0	112.5	S340 L345 G346	S340-S342 PolarHBondContact O-N 3.46Å; S340-S342 PolarHBondContact OG-N 3.11Å; S340-S342 PolarHBondContact OG-OG 3.44Å; S342-L345 PolarHBondContact O-N 2.97Å; S342-G346 PolarHBondContact O-N 3.09Å
343	S	98.2	Very high	98.4	Very high	49 Å²	49	49 Å²	49	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-43.5	172.1	-65.2	0	0	0	0	111.3	S340 L345 G346 I347	S340-S343 WeakPolarHBondContact O-CB 3.35Å; S340-S343 PolarHBondContact O-N 2.84Å; S340-S343 VanDerWaalsContact O-N 3.16Å; S340-S343 PolarHBondContact OG-N 2.87Å; S340-S343 PolarHBondContact OG-OG 2.7Å; S343-L345 VanDerWaalsContact C-N 3.33Å; S343-L345 PolarHBondContact O-N 3.37Å; S343-G346 PolarHBondContact O-N 2.9Å; S343-I347 VanDerWaalsContact O-CG1 3.29Å; S343-I347 WeakPolarHBondContact O-CG1 3.25Å; S343-I347 PolarHBondContact O-N 2.61Å
344	K	98.6	Very high	98.4	Very high	68 Å²	68	49 Å²	49	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-46.4	175.2	-167.1	178.3	-179.6	-176.3	0	111.7	Y281 F334 S340 A341 I347 T348	Y281-K344 HydrophobicContact CD1-CG 4.41Å; Y281-K344 HydrophobicContact CE1-CG 3.71Å; Y281-K344 HydrophobicContact CE2-CD 4.21Å; Y281-K344 HydrophobicContact CE2-CG 4.09Å; Y281-K344 WeakPolarHBondContact OH-CE 3.36Å; Y281-K344 WeakPolarHBondContact OH-CG 3.22Å; F334-K344 HydrophobicContact CD2-CB 4.06Å; F334-K344 HydrophobicContact CD2-CG 4.21Å; F334-K344 HydrophobicContact CE2-CB 3.64Å; F334-K344 HydrophobicContact CE2-CD 4.12Å; F334-K344 HydrophobicContact CE2-CG 3.89Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.07Å; F334-K344 HydrophobicContact CZ-CG 4.32Å; S340-K344 PolarHBondContact O-N 3.35Å; A341-K344 PolarHBondContact O-N 3.49Å; K344-I347 PolarHBondContact O-N 3.38Å; K344-T348 PolarHBondContact O-N 3.3Å; K344-T348 VanDerWaalsContact O-N 3.08Å; K344-T348 PolarHBondContact O-OG1 3.49Å
345	L	98.5	Very high	98.4	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-49.1	174.4	173.8	60.4	0	0	0	111	A341 S342 S343 I347 T348 M349 L394 V396 Y399	A341-L345 PolarHBondContact O-N 3.28Å; S342-L345 PolarHBondContact O-N 2.97Å; S343-L345 VanDerWaalsContact C-N 3.33Å; S343-L345 PolarHBondContact O-N 3.37Å; L345-I347 PolarHBondContact O-N 2.89Å; L345-T348 WeakPolarHBondContact O-CB 3.39Å; L345-T348 PolarHBondContact O-N 3.29Å; L345-T348 VanDerWaalsContact O-N 3.12Å; L345-M349 HydrophobicContact CD1-CG 3.81Å; L345-M349 HydrophobicContact CD1-SD 4.29Å; L345-M349 HydrophobicContact CG-CG 4.3Å; L345-M349 VanDerWaalsContact O-CG 3.31Å; L345-M349 WeakPolarHBondContact O-CG 3.49Å; L345-M349 PolarHBondContact O-N 3.02Å; L345-L394 HydrophobicContact CD1-CB 4.32Å; L345-L394 HydrophobicContact CD1-CD1 4.15Å; L345-V396 HydrophobicContact CD1-CG1 3.59Å; L345-Y399 HydrophobicContact CD2-CD2 4.23Å; L345-Y399 HydrophobicContact CD2-CE2 4.19Å
346	G	98.6	Very high	98.5	Very high	31 Å²	31	45.7 Å²	45.7	32%	0.32	28%	0.277	S	S	.	.	H	α-helix	trans	-55.3	-48.3	178.4	0	0	0	0	0	112.8	S342 S343 T348 M349 T350	S342-G346 PolarHBondContact O-N 3.09Å; S343-G346 PolarHBondContact O-N 2.9Å; G346-T348 VanDerWaalsContact C-N 3.32Å; G346-T348 PolarHBondContact O-N 3.3Å; G346-M349 PolarHBondContact O-N 3.08Å; G346-T350 PolarHBondContact O-N 3.15Å; G346-T350 PolarHBondContact O-OG1 3.14Å; G346-T350 VanDerWaalsContact O-OG1 3.1Å
347	I	98.9	Very high	98.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-45.6	176.1	-66.8	164.2	0	0	0	110.8	Y281 A282 L333 F334 S343 K344 L345 M349 T350 V351	Y281-I347 HydrophobicContact CD1-CG2 3.96Å; Y281-I347 HydrophobicContact CE1-CB 4.36Å; Y281-I347 HydrophobicContact CE1-CG2 4.04Å; A282-I347 HydrophobicContact CB-CG2 4.42Å; L333-I347 WeakPolarHBondContact O-CD1 3.45Å; F334-I347 HydrophobicContact CB-CD1 3.84Å; F334-I347 HydrophobicContact CD2-CD1 4.26Å; S343-I347 VanDerWaalsContact O-CG1 3.29Å; S343-I347 WeakPolarHBondContact O-CG1 3.25Å; S343-I347 PolarHBondContact O-N 2.61Å; K344-I347 PolarHBondContact O-N 3.38Å; L345-I347 PolarHBondContact O-N 2.89Å; I347-M349 PolarHBondContact O-N 3.3Å; I347-T350 PolarHBondContact O-N 3.11Å; I347-V351 HydrophobicContact CG2-CG2 4.34Å; I347-V351 WeakPolarHBondContact O-CB 3.38Å; I347-V351 VanDerWaalsContact O-CG2 3.3Å; I347-V351 WeakPolarHBondContact O-CG2 3.37Å; I347-V351 PolarHBondContact O-N 3.49Å
348	T	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-45	-179.8	-45	0	0	0	0	111.6	Y281 K344 L345 G346 A352 V387 L394	Y281-T348 PolarHBondContact OH-OG1 3.38Å; K344-T348 PolarHBondContact O-N 3.3Å; K344-T348 VanDerWaalsContact O-N 3.08Å; K344-T348 PolarHBondContact O-OG1 3.49Å; L345-T348 WeakPolarHBondContact O-CB 3.39Å; L345-T348 PolarHBondContact O-N 3.29Å; L345-T348 VanDerWaalsContact O-N 3.12Å; G346-T348 VanDerWaalsContact C-N 3.32Å; G346-T348 PolarHBondContact O-N 3.3Å; T348-A352 WeakPolarHBondContact O-CB 3.45Å; T348-A352 PolarHBondContact O-N 2.93Å; T348-V387 HydrophobicContact CG2-CG1 3.9Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; T348-L394 HydrophobicContact CG2-CD1 3.96Å
349	M	98.9	Very high	98.7	Very high	20 Å²	20	25.2 Å²	25.2	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-42.8	179.3	-64.2	-62.6	-81	0	0	111.2	L345 G346 I347 A352 H353 E383 F384 V387 V396	L345-M349 HydrophobicContact CD1-CG 3.81Å; L345-M349 HydrophobicContact CD1-SD 4.29Å; L345-M349 HydrophobicContact CG-CG 4.3Å; L345-M349 VanDerWaalsContact O-CG 3.31Å; L345-M349 WeakPolarHBondContact O-CG 3.49Å; L345-M349 PolarHBondContact O-N 3.02Å; G346-M349 PolarHBondContact O-N 3.08Å; I347-M349 PolarHBondContact O-N 3.3Å; M349-A352 PolarHBondContact O-N 3.31Å; M349-H353 WeakPolarHBondContact O-CB 3.45Å; M349-H353 PolarHBondContact O-N 3.39Å; M349-E383 HydrophobicContact CE-CB 3.53Å; M349-E383 HydrophobicContact CE-CG 4.44Å; M349-E383 WeakPolarHBondContact CE-OE2 3.39Å; M349-E383 WeakPolarHBondContact O-CG 3.35Å; M349-E383 HydrophobicContact SD-CB 4.18Å; M349-F384 HydrophobicContact CE-CD1 3.97Å; M349-F384 HydrophobicContact CE-CD2 3.9Å; M349-F384 HydrophobicContact CE-CE1 3.74Å; M349-F384 HydrophobicContact CE-CE2 3.67Å; M349-F384 HydrophobicContact CE-CG 4.06Å; M349-F384 HydrophobicContact CE-CZ 3.6Å; M349-V387 HydrophobicContact SD-CB 4.01Å; M349-V387 HydrophobicContact SD-CG1 4.09Å; M349-V387 HydrophobicContact SD-CG2 3.88Å; M349-V396 HydrophobicContact CE-CB 4.49Å; M349-V396 HydrophobicContact SD-CB 4.26Å; M349-V396 HydrophobicContact SD-CG1 3.85Å
350	T	98.9	Very high	98.7	Very high	33 Å²	33	23.6 Å²	23.6	20%	0.202	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-43.8	177.1	-56.6	0	0	0	0	111.7	A318 Y327 A331 G346 I347 A352 H353 E354	A318-T350 HydrophobicContact CB-CG2 3.59Å; Y327-T350 HydrophobicContact CD1-CG2 3.91Å; Y327-T350 HydrophobicContact CE1-CG2 3.99Å; A331-T350 HydrophobicContact CB-CG2 4.15Å; G346-T350 PolarHBondContact O-N 3.15Å; G346-T350 PolarHBondContact O-OG1 3.14Å; G346-T350 VanDerWaalsContact O-OG1 3.1Å; I347-T350 PolarHBondContact O-N 3.11Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.02Å; T350-H353 WeakPolarHBondContact O-CB 3.31Å; T350-H353 PolarHBondContact O-N 2.97Å; T350-E354 HydrophobicContact CG2-CG 4.43Å; T350-E354 WeakPolarHBondContact O-CG 3.45Å; T350-E354 PolarHBondContact O-N 3.39Å
351	V	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-40.9	174.4	173.2	0	0	0	0	111	A286 L289 L308 Y327 L332 I347 L355	A286-V351 HydrophobicContact CB-CG1 3.83Å; L289-V351 HydrophobicContact CD1-CB 4.29Å; L289-V351 HydrophobicContact CD1-CG1 3.84Å; L308-V351 HydrophobicContact CD2-CG1 4.12Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å; Y327-V351 HydrophobicContact CE1-CG2 4.33Å; L332-V351 HydrophobicContact CD1-CG2 3.84Å; I347-V351 HydrophobicContact CG2-CG2 4.34Å; I347-V351 WeakPolarHBondContact O-CB 3.38Å; I347-V351 VanDerWaalsContact O-CG2 3.3Å; I347-V351 WeakPolarHBondContact O-CG2 3.37Å; I347-V351 PolarHBondContact O-N 3.49Å; V351-L355 HydrophobicContact CG1-CD1 3.91Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.34Å; V351-L355 PolarHBondContact O-N 2.81Å; V351-L355 VanDerWaalsContact O-N 3.09Å
352	A	98.9	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-43.5	174.9	0	0	0	0	0	112.2	L289 Y293 T348 M349 T350 L355 A356 V387	L289-A352 HydrophobicContact CD1-CB 3.88Å; L289-A352 HydrophobicContact CD2-CB 3.86Å; Y293-A352 PolarHBondContact OH-O 3.11Å; T348-A352 WeakPolarHBondContact O-CB 3.45Å; T348-A352 PolarHBondContact O-N 2.93Å; M349-A352 PolarHBondContact O-N 3.31Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.02Å; A352-L355 PolarHBondContact O-N 3.45Å; A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 2.87Å; A352-V387 HydrophobicContact CB-CG2 3.61Å
353	H	98.9	Very high	98.8	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.056	8%	0.078	C	C	.	.	H	α-helix	trans	-56.9	-55.4	177.4	-167.1	88	0	0	0	111.8	M349 T350 L355 A356 H357 E376 K380 E383 Y438	M349-H353 WeakPolarHBondContact O-CB 3.45Å; M349-H353 PolarHBondContact O-N 3.39Å; T350-H353 WeakPolarHBondContact O-CB 3.31Å; T350-H353 PolarHBondContact O-N 2.97Å; H353-L355 VanDerWaalsContact C-N 3.28Å; H353-L355 PolarHBondContact O-N 3.08Å; H353-A356 WeakPolarHBondContact O-CB 3.38Å; H353-A356 PolarHBondContact O-N 3.46Å; H353-A356 VanDerWaalsContact O-N 3.14Å; H353-H357 AromaticContact CD2-CD2 3.49Å; H353-H357 PolarHBondContact CD2-CD2 3.41Å; H353-H357 VanDerWaalsContact CD2-CD2 3.49Å; H353-H357 AromaticContact CD2-NE2 3.28Å; H353-H357 PolarHBondContact CD2-NE2 3.1Å; H353-H357 VanDerWaalsContact CD2-NE2 3.28Å; H353-H357 AromaticContact CE1-NE2 3.83Å; H353-H357 AromaticContact NE2-CD2 3.79Å; H353-H357 AromaticContact NE2-NE2 3.05Å; H353-H357 PolarHBondContact NE2-NE2 3.18Å; H353-H357 PolarHBondContact O-CD2 2.89Å; H353-H357 VanDerWaalsContact O-CD2 3.3Å; H353-H357 PolarHBondContact O-N 2.92Å; H353-H357 VanDerWaalsContact O-N 3.12Å; H353-E376 IonicContact NE2-OE2 3.68Å; H353-K380 PolarHBondContact ND1-N 3.36Å; H353-E383 HydrophobicContact CB-CG 3.81Å; H353-E383 IonicContact CE1-OE1 2.98Å; H353-E383 IonicContact CG-OE1 3.39Å; H353-E383 IonicContact ND1-OE1 3.03Å; H353-E383 PolarHBondContact ND1-OE1 3.34Å; H353-Y438 AromaticContact CE1-CE1 3.88Å; H353-Y438 AromaticContact NE2-CE1 3.79Å
354	E	98.9	Very high	98.8	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.037	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-34.3	-178.3	-57.3	-41.1	126.6	0	0	112.6	A318 M319 E320 T325 Y327 T350 H357 Q358	A318-E354 VanDerWaalsContact CB-CD 3.42Å; A318-E354 HydrophobicContact CB-CG 3.63Å; A318-E354 VanDerWaalsContact CB-OE1 3.28Å; A318-E354 WeakPolarHBondContact CB-OE1 3.33Å; M319-E354 WeakPolarHBondContact CA-OE2 3.42Å; M319-E354 PolarHBondContact N-OE2 2.99Å; E320-E354 WeakPolarHBondContact CA-OE2 3.48Å; E320-E354 PolarHBondContact N-OE2 2.86Å; E320-E354 VanDerWaalsContact N-OE2 3.07Å; T325-E354 HydrophobicContact CG2-CB 4.06Å; Y327-E354 HydrophobicContact CD1-CG 4.39Å; Y327-E354 HydrophobicContact CE1-CB 4.23Å; Y327-E354 HydrophobicContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact OH-CB 3.23Å; Y327-E354 WeakPolarHBondContact OH-CB 3.34Å; Y327-E354 WeakPolarHBondContact OH-CG 3.46Å; T350-E354 HydrophobicContact CG2-CG 4.43Å; T350-E354 WeakPolarHBondContact O-CG 3.45Å; T350-E354 PolarHBondContact O-N 3.39Å; E354-H357 PolarHBondContact O-N 3.16Å; E354-Q358 PolarHBondContact O-NE2 3.49Å
355	L	98.9	Very high	98.8	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-75.1	-31.4	177	-67.5	-177.4	0	0	0	112.4	A286 L289 L290 Y293 Q306 V351 A352 H353 H357 Q358 W359	A286-L355 HydrophobicContact CB-CD1 4.11Å; A286-L355 WeakPolarHBondContact O-CD1 3.26Å; L289-L355 HydrophobicContact CB-CD1 3.76Å; L290-L355 HydrophobicContact CB-CD1 4.24Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; Y293-L355 HydrophobicContact CD2-CB 3.94Å; Y293-L355 HydrophobicContact CE2-CB 3.74Å; Q306-L355 HydrophobicContact CG-CD2 3.96Å; V351-L355 HydrophobicContact CG1-CD1 3.91Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.34Å; V351-L355 PolarHBondContact O-N 2.81Å; V351-L355 VanDerWaalsContact O-N 3.09Å; A352-L355 PolarHBondContact O-N 3.45Å; H353-L355 VanDerWaalsContact C-N 3.28Å; H353-L355 PolarHBondContact O-N 3.08Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.5Å; L355-Q358 HydrophobicContact CD2-CG 4.47Å; L355-Q358 WeakPolarHBondContact O-CB 3.2Å; L355-Q358 WeakPolarHBondContact O-CG 3.25Å; L355-Q358 PolarHBondContact O-N 3.39Å; L355-W359 WeakPolarHBondContact O-CZ3 3.4Å
356	A	98.9	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.4	-38.5	171.4	0	0	0	0	0	111.7	Y293 A352 H353 Q358 W359 F360 A379 M382	Y293-A356 HydrophobicContact CE1-CB 4.13Å; Y293-A356 HydrophobicContact CE2-CB 4.35Å; A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 2.87Å; H353-A356 WeakPolarHBondContact O-CB 3.38Å; H353-A356 PolarHBondContact O-N 3.46Å; H353-A356 VanDerWaalsContact O-N 3.14Å; A356-Q358 PolarHBondContact O-N 2.87Å; A356-Q358 VanDerWaalsContact O-N 3.15Å; A356-W359 PolarHBondContact O-N 3.41Å; A356-F360 PolarHBondContact O-N 3.29Å; A356-A379 HydrophobicContact CB-CB 4.32Å; A356-M382 HydrophobicContact CB-CB 3.66Å; A356-M382 HydrophobicContact CB-CG 4.42Å
357	H	98.9	Very high	98.8	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-60.6	-22.2	177.5	-82.4	-62.9	0	0	0	114.3	E320 H353 E354 L355 W359 F360 G361 N362 E376 A379	E320-H357 HydrophobicContact CB-CB 3.33Å; E320-H357 HydrophobicContact CG-CB 3.61Å; H353-H357 AromaticContact CD2-CD2 3.49Å; H353-H357 PolarHBondContact CD2-CD2 3.41Å; H353-H357 VanDerWaalsContact CD2-CD2 3.49Å; H353-H357 AromaticContact CD2-NE2 3.28Å; H353-H357 PolarHBondContact CD2-NE2 3.1Å; H353-H357 VanDerWaalsContact CD2-NE2 3.28Å; H353-H357 AromaticContact CE1-NE2 3.83Å; H353-H357 AromaticContact NE2-CD2 3.79Å; H353-H357 AromaticContact NE2-NE2 3.05Å; H353-H357 PolarHBondContact NE2-NE2 3.18Å; H353-H357 PolarHBondContact O-CD2 2.89Å; H353-H357 VanDerWaalsContact O-CD2 3.3Å; H353-H357 PolarHBondContact O-N 2.92Å; H353-H357 VanDerWaalsContact O-N 3.12Å; E354-H357 PolarHBondContact O-N 3.16Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.5Å; H357-W359 PolarHBondContact O-N 2.8Å; H357-W359 VanDerWaalsContact O-N 3.08Å; H357-F360 WeakPolarHBondContact CA-O 3Å; H357-F360 PolarHBondContact ND1-O 2.9Å; H357-F360 CarbonylContact O-C 3.41Å; H357-F360 PolarHBondContact O-N 3.4Å; H357-G361 PolarHBondContact O-N 2.53Å; H357-N362 WeakPolarHBondContact O-CB 3.48Å; H357-N362 PolarHBondContact O-N 3.12Å; H357-E376 IonicContact CE1-OE1 3Å; H357-E376 PolarHBondContact CE1-OE1 3Å; H357-E376 VanDerWaalsContact CE1-OE1 3.28Å; H357-E376 IonicContact CE1-OE2 3.68Å; H357-E376 IonicContact NE2-OE1 3.56Å; H357-E376 IonicContact NE2-OE2 2.83Å; H357-E376 PolarHBondContact NE2-OE2 2.96Å; H357-A379 WeakPolarHBondContact CE1-CB 3.45Å; H357-A379 WeakPolarHBondContact NE2-CB 3.14Å
358	Q	98.9	Very high	98.8	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	174.4	-50.4	-51.7	-57.1	0	0	111.8	Y301 E320 E354 L355 A356 N362 L363	Y301-Q358 HydrophobicContact CD2-CB 4.05Å; Y301-Q358 HydrophobicContact CD2-CG 4.37Å; Y301-Q358 HydrophobicContact CE2-CB 3.92Å; Y301-Q358 HydrophobicContact CE2-CG 3.91Å; E320-Q358 PolarHBondContact O-NE2 3.3Å; E320-Q358 VanDerWaalsContact O-NE2 3.08Å; E354-Q358 PolarHBondContact O-NE2 3.49Å; L355-Q358 HydrophobicContact CD2-CG 4.47Å; L355-Q358 WeakPolarHBondContact O-CB 3.2Å; L355-Q358 WeakPolarHBondContact O-CG 3.25Å; L355-Q358 PolarHBondContact O-N 3.39Å; A356-Q358 PolarHBondContact O-N 2.87Å; A356-Q358 VanDerWaalsContact O-N 3.15Å; Q358-N362 PolarHBondContact NE2-ND2 3.12Å; Q358-N362 PolarHBondContact OE1-ND2 3.04Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 3.03Å
359	W	98.9	Very high	98.8	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.011	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-50.2	168.8	-69.7	-100	0	0	0	112.3	L290 Y293 E294 F297 I299 Y301 L355 A356 H357 G361 V364 L465	L290-W359 HydrophobicContact CD1-CH2 3.76Å; L290-W359 HydrophobicContact CD1-CZ3 3.97Å; Y293-W359 VanDerWaalsContact CB-CZ3 3.44Å; Y293-W359 HydrophobicContact CD2-CZ3 4.33Å; Y293-W359 HydrophobicContact CG-CE3 4.46Å; Y293-W359 HydrophobicContact CG-CZ3 4.14Å; E294-W359 HydrophobicContact CG-CH2 4.01Å; E294-W359 HydrophobicContact CG-CZ2 3.92Å; F297-W359 HydrophobicContact CD2-CB 4.23Å; F297-W359 AromaticContact CD2-CD1 3.77Å; F297-W359 AromaticContact CD2-CD2 3.68Å; F297-W359 HydrophobicContact CD2-CD2 3.68Å; F297-W359 AromaticContact CD2-CE2 3.89Å; F297-W359 HydrophobicContact CD2-CE3 4.26Å; F297-W359 AromaticContact CD2-CG 3.64Å; F297-W359 HydrophobicContact CD2-CG 3.64Å; F297-W359 AromaticContact CD2-NE1 3.89Å; F297-W359 HydrophobicContact CE2-CB 4.15Å; F297-W359 AromaticContact CE2-CD2 3.99Å; F297-W359 HydrophobicContact CE2-CD2 3.99Å; F297-W359 HydrophobicContact CE2-CE3 4.2Å; F297-W359 AromaticContact CE2-CG 3.96Å; F297-W359 HydrophobicContact CE2-CG 3.96Å; F297-W359 HydrophobicContact CG-CG 4.46Å; I299-W359 WeakPolarHBondContact O-CZ2 3.27Å; I299-W359 PolarHBondContact O-NE1 3.4Å; I299-W359 VanDerWaalsContact O-NE1 3.12Å; Y301-W359 HydrophobicContact CD2-CH2 4.42Å; L355-W359 WeakPolarHBondContact O-CZ3 3.4Å; A356-W359 PolarHBondContact O-N 3.41Å; H357-W359 PolarHBondContact O-N 2.8Å; H357-W359 VanDerWaalsContact O-N 3.08Å; W359-G361 PolarHBondContact O-N 2.89Å; W359-V364 PolarHBondContact O-N 2.67Å; W359-V364 VanDerWaalsContact O-N 3.11Å; W359-L465 HydrophobicContact CB-CD1 4.07Å; W359-L465 HydrophobicContact CB-CD2 4.12Å; W359-L465 HydrophobicContact CG-CD1 4.43Å
360	F	98.8	Very high	98.7	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-96.3	77.8	-177.5	-66.7	-75.8	0	0	0	112.2	F297 A356 H357 F378 M382 I461 Y464 L465	F297-F360 AromaticContact CE1-CE2 3.76Å; F297-F360 HydrophobicContact CE1-CE2 3.76Å; F297-F360 HydrophobicContact CE1-CZ 4.33Å; F297-F360 HydrophobicContact CE2-CE2 4.43Å; F297-F360 HydrophobicContact CZ-CD2 4.22Å; F297-F360 AromaticContact CZ-CE2 3.56Å; F297-F360 HydrophobicContact CZ-CE2 3.56Å; A356-F360 PolarHBondContact O-N 3.29Å; H357-F360 WeakPolarHBondContact CA-O 3Å; H357-F360 PolarHBondContact ND1-O 2.9Å; H357-F360 CarbonylContact O-C 3.41Å; H357-F360 PolarHBondContact O-N 3.4Å; F360-F378 HydrophobicContact CB-CB 3.82Å; F360-F378 HydrophobicContact CD1-CB 3.66Å; F360-F378 AromaticContact CD1-CD1 3.76Å; F360-F378 HydrophobicContact CD1-CD1 3.76Å; F360-F378 HydrophobicContact CD1-CD2 4.12Å; F360-F378 HydrophobicContact CD1-CE1 4.45Å; F360-F378 AromaticContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD2-CB 4.07Å; F360-F378 HydrophobicContact CD2-CD1 4.36Å; F360-F378 HydrophobicContact CE1-CB 4.13Å; F360-F378 AromaticContact CE1-CD1 3.29Å; F360-F378 HydrophobicContact CE1-CD1 3.29Å; F360-F378 HydrophobicContact CE1-CD2 4.2Å; F360-F378 AromaticContact CE1-CE1 3.65Å; F360-F378 HydrophobicContact CE1-CE1 3.65Å; F360-F378 HydrophobicContact CE1-CE2 4.48Å; F360-F378 AromaticContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CZ 4.24Å; F360-F378 HydrophobicContact CE2-CB 4.47Å; F360-F378 AromaticContact CE2-CD1 3.94Å; F360-F378 HydrophobicContact CE2-CD1 3.94Å; F360-F378 HydrophobicContact CG-CB 3.61Å; F360-F378 HydrophobicContact CG-CD1 4.25Å; F360-F378 HydrophobicContact CG-CG 4.03Å; F360-F378 HydrophobicContact CZ-CB 4.48Å; F360-F378 AromaticContact CZ-CD1 3.36Å; F360-F378 HydrophobicContact CZ-CD1 3.36Å; F360-F378 AromaticContact CZ-CE1 3.78Å; F360-F378 HydrophobicContact CZ-CE1 3.78Å; F360-F378 HydrophobicContact CZ-CG 4.07Å; F360-M382 HydrophobicContact CD2-CG 4.25Å; F360-M382 HydrophobicContact CE2-CG 3.96Å; F360-I461 HydrophobicContact CE1-CG2 4.34Å; F360-I461 HydrophobicContact CE2-CG2 4.29Å; F360-I461 HydrophobicContact CZ-CD1 4.23Å; F360-I461 HydrophobicContact CZ-CG1 4.33Å; F360-I461 HydrophobicContact CZ-CG2 3.49Å; F360-I461 VanDerWaalsContact CZ-CG2 3.49Å; F360-Y464 HydrophobicContact CD1-CE1 4.37Å; F360-Y464 HydrophobicContact CE1-CD1 4.25Å; F360-Y464 HydrophobicContact CE1-CE1 4.16Å; F360-L465 HydrophobicContact CD1-CD2 4.01Å; F360-L465 HydrophobicContact CE1-CD1 4.42Å; F360-L465 HydrophobicContact CE1-CD2 3.9Å; F360-L465 HydrophobicContact CE1-CG 4.25Å; F360-L465 HydrophobicContact CE2-CD1 4.26Å; F360-L465 HydrophobicContact CG-CD2 4.49Å; F360-L465 HydrophobicContact CZ-CD1 4.04Å; F360-L465 HydrophobicContact CZ-CD2 4.32Å; F360-L465 HydrophobicContact CZ-CG 4.33Å
361	G	98.4	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	145.1	-46.8	179.1	0	0	0	0	0	110.7	Y245 H357 W359 V364 T365 N375	Y245-G361 PolarHBondContact OH-O 3.37Å; H357-G361 PolarHBondContact O-N 2.53Å; W359-G361 PolarHBondContact O-N 2.89Å; G361-V364 CarbonylContact C-O 3.47Å; G361-V364 VanDerWaalsContact CA-O 3.27Å; G361-V364 WeakPolarHBondContact CA-O 3.46Å; G361-V364 PolarHBondContact N-O 2.73Å; G361-T365 WeakPolarHBondContact O-CA 3.46Å; G361-T365 VanDerWaalsContact O-CB 3.26Å; G361-T365 WeakPolarHBondContact O-CB 3.44Å; G361-T365 WeakPolarHBondContact O-CG2 2.69Å; G361-T365 PolarHBondContact O-OG1 3.28Å; G361-N375 VanDerWaalsContact CA-CG 3.45Å; G361-N375 VanDerWaalsContact CA-ND2 3.25Å; G361-N375 WeakPolarHBondContact CA-ND2 3.26Å
362	N	98.7	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-64.5	-178.3	-64.7	2.1	0	0	0	111.5	K200 L246 E320 W322 H357 Q358	K200-N362 PolarHBondContact NZ-O 3.35Å; L246-N362 HydrophobicContact CD1-CB 4.08Å; L246-N362 VanDerWaalsContact CD1-OD1 3.29Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.48Å; L246-N362 WeakPolarHBondContact CD2-OD1 2.83Å; E320-N362 VanDerWaalsContact CG-OD1 3.31Å; E320-N362 WeakPolarHBondContact CG-OD1 3.43Å; E320-N362 PolarHBondContact O-ND2 2.97Å; W322-N362 WeakPolarHBondContact CA-ND2 3.36Å; W322-N362 HydrophobicContact CB-CB 4.44Å; W322-N362 WeakPolarHBondContact CB-ND2 2.99Å; W322-N362 HydrophobicContact CD2-CB 3.59Å; W322-N362 HydrophobicContact CE3-CB 3.67Å; W322-N362 HydrophobicContact CG-CB 3.96Å; W322-N362 HydrophobicContact CH2-CB 4.35Å; W322-N362 HydrophobicContact CZ2-CB 4.25Å; W322-N362 HydrophobicContact CZ3-CB 4.07Å; W322-N362 WeakPolarHBondContact CZ3-O 3.34Å; H357-N362 WeakPolarHBondContact O-CB 3.48Å; H357-N362 PolarHBondContact O-N 3.12Å; Q358-N362 PolarHBondContact NE2-ND2 3.12Å; Q358-N362 PolarHBondContact OE1-ND2 3.04Å
363	L	98.9	Very high	98.6	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-49.7	178.3	-177.2	64.9	0	0	0	111.5	K200 I299 W322 Q358 Y470	K200-L363 PolarHBondContact NZ-O 2.93Å; I299-L363 HydrophobicContact CG2-CD2 3.94Å; W322-L363 HydrophobicContact CH2-CB 4.12Å; W322-L363 HydrophobicContact CH2-CD1 4.15Å; W322-L363 HydrophobicContact CZ2-CB 4.25Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 3.03Å; L363-Y470 HydrophobicContact CD1-CD1 4.02Å; L363-Y470 HydrophobicContact CD1-CD2 4.15Å; L363-Y470 HydrophobicContact CD1-CE1 3.78Å; L363-Y470 HydrophobicContact CD1-CE2 3.92Å; L363-Y470 HydrophobicContact CD1-CG 4.21Å; L363-Y470 WeakPolarHBondContact O-CA 3.31Å; L363-Y470 PolarHBondContact O-N 3.4Å
364	V	98.9	Very high	98.5	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.012	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.8	174	-174.8	0	0	0	0	108.5	W359 G361 Y464 L465 H468 T473	W359-V364 PolarHBondContact O-N 2.67Å; W359-V364 VanDerWaalsContact O-N 3.11Å; G361-V364 CarbonylContact C-O 3.47Å; G361-V364 VanDerWaalsContact CA-O 3.27Å; G361-V364 WeakPolarHBondContact CA-O 3.46Å; G361-V364 PolarHBondContact N-O 2.73Å; V364-Y464 HydrophobicContact CB-CE1 4.43Å; V364-Y464 HydrophobicContact CG1-CE1 3.88Å; V364-L465 HydrophobicContact CB-CD2 4.22Å; V364-L465 HydrophobicContact CG2-CD2 3.81Å; V364-H468 HydrophobicContact CG1-CB 3.83Å; V364-H468 HydrophobicContact CG2-CB 4.13Å; V364-T473 HydrophobicContact CG1-CG2 3.62Å
365	T	98.8	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.2	-174.8	-45.2	0	0	0	0	109.5	P197 K200 Y245 G361 K471 N472 T473	P197-T365 HydrophobicContact CB-CG2 4.02Å; K200-T365 WeakPolarHBondContact CE-OG1 3.27Å; K200-T365 PolarHBondContact NZ-OG1 3.05Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; G361-T365 WeakPolarHBondContact O-CA 3.46Å; G361-T365 VanDerWaalsContact O-CB 3.26Å; G361-T365 WeakPolarHBondContact O-CB 3.44Å; G361-T365 WeakPolarHBondContact O-CG2 2.69Å; G361-T365 PolarHBondContact O-OG1 3.28Å; T365-K471 PolarHBondContact N-O 3.46Å; T365-N472 CarbonylContact O-C 3.56Å; T365-N472 WeakPolarHBondContact O-CA 3.42Å; T365-N472 WeakPolarHBondContact O-CB 3.4Å; T365-T473 PolarHBondContact O-N 2.75Å
366	M	98.8	Very high	98.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	145.7	165.3	70	-62.1	-173	0	0	112	W368 W369 D371 L372 L374 N375 N472 T473	M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 VanDerWaalsContact CG-O 3.31Å; M366-W368 WeakPolarHBondContact CG-O 3.35Å; M366-W369 HydrophobicContact CE-CD2 3.95Å; M366-W369 HydrophobicContact CE-CE3 3.22Å; M366-W369 HydrophobicContact CE-CH2 3.58Å; M366-W369 HydrophobicContact CE-CZ2 4.29Å; M366-W369 HydrophobicContact CE-CZ3 3.01Å; M366-D371 HydrophobicContact CB-CB 4.21Å; M366-D371 WeakPolarHBondContact CB-O 3.4Å; M366-L372 HydrophobicContact CE-CD1 3.88Å; M366-L374 HydrophobicContact CB-CD1 4.47Å; M366-N375 PolarHBondContact N-OD1 3.02Å; M366-N375 PolarHBondContact SD-ND2 3.07Å; M366-N375 PolarHBondContact SD-OD1 3.03Å; M366-N472 PolarHBondContact O-ND2 3.24Å; M366-T473 CarbonylContact C-O 3.53Å; M366-T473 WeakPolarHBondContact CA-O 3.12Å
367	E	98.6	Very high	98.5	Very high	76 Å²	76	7.9 Å²	7.9	36%	0.355	4%	0.037	S	C	.	.	S	Bend	trans	-67.7	-37.2	177.3	-169.4	-174.6	-93.7	0	0	111.4	A198 N472 T473 K474	A198-E367 HydrophobicContact CB-CG 4.13Å; E367-N472 HydrophobicContact CB-CB 4.08Å; E367-N472 HydrophobicContact CG-CB 4.41Å; E367-T473 PolarHBondContact N-O 3.42Å; E367-K474 HydrophobicContact CB-CG 4.25Å; E367-K474 WeakPolarHBondContact OE1-CE 3.43Å; E367-K474 IonicContact OE1-NZ 2.88Å; E367-K474 PolarHBondContact OE1-NZ 2.64Å; E367-K474 WeakPolarHBondContact OE2-CE 3.23Å; E367-K474 IonicContact OE2-NZ 3.69Å; E367-K474 PolarHBondContact OE2-NZ 3.28Å
368	W	98.8	Very high	98.4	Very high	21 Å²	21	7.8 Å²	7.8	8%	0.08	4%	0.037	C	C	.	.	S	Bend	trans	-150	161	175.3	-178.2	-115.2	0	0	0	110.4	E196 P197 M366 N370 D371 V423 I429	E196-W368 HydrophobicContact CB-CE3 4.44Å; E196-W368 HydrophobicContact CB-CZ3 3.92Å; E196-W368 HydrophobicContact CG-CZ3 3.95Å; P197-W368 HydrophobicContact CG-CE3 4.38Å; M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 VanDerWaalsContact CG-O 3.31Å; M366-W368 WeakPolarHBondContact CG-O 3.35Å; W368-N370 WeakPolarHBondContact CB-OD1 3.09Å; W368-N370 PolarHBondContact O-N 3.11Å; W368-D371 PolarHBondContact O-N 3.26Å; W368-D371 VanDerWaalsContact O-N 3.07Å; W368-V423 PolarHBondContact NE1-O 2.79Å; W368-I429 HydrophobicContact CH2-CD1 3.81Å; W368-I429 HydrophobicContact CZ2-CD1 3.73Å; W368-I429 HydrophobicContact CZ2-CG1 4.34Å
369	W	98.6	Very high	98.4	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.008	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-61.5	-13.6	-173.7	-56.8	106.1	0	0	0	115	E183 P184 P197 Y245 M366 D371 L372 V423 I429 F433	E183-W369 HydrophobicContact CG-CH2 3.77Å; E183-W369 HydrophobicContact CG-CZ3 3.96Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.19Å; P184-W369 HydrophobicContact CB-CD2 4.16Å; P184-W369 HydrophobicContact CB-CE3 4.07Å; P184-W369 HydrophobicContact CB-CH2 3.7Å; P184-W369 HydrophobicContact CB-CZ2 3.73Å; P184-W369 HydrophobicContact CB-CZ3 3.83Å; P184-W369 WeakPolarHBondContact O-CZ2 3.27Å; P197-W369 HydrophobicContact CG-CZ2 4.14Å; Y245-W369 HydrophobicContact CD1-CH2 4.05Å; Y245-W369 HydrophobicContact CD1-CZ2 4.41Å; Y245-W369 HydrophobicContact CE1-CH2 4.32Å; Y245-W369 HydrophobicContact CG-CH2 4.18Å; M366-W369 HydrophobicContact CE-CD2 3.95Å; M366-W369 HydrophobicContact CE-CE3 3.22Å; M366-W369 HydrophobicContact CE-CH2 3.58Å; M366-W369 HydrophobicContact CE-CZ2 4.29Å; M366-W369 HydrophobicContact CE-CZ3 3.01Å; W369-D371 PolarHBondContact O-N 3.33Å; W369-L372 HydrophobicContact CE3-CD1 4.04Å; W369-L372 HydrophobicContact CZ3-CD1 4.07Å; W369-L372 WeakPolarHBondContact O-CB 3.34Å; W369-L372 PolarHBondContact O-N 2.83Å; W369-V423 HydrophobicContact CB-CG2 3.82Å; W369-I429 HydrophobicContact CB-CB 4.41Å; W369-I429 HydrophobicContact CB-CG1 4.06Å; W369-I429 HydrophobicContact CB-CG2 3.73Å; W369-I429 HydrophobicContact CD2-CG2 3.58Å; W369-I429 HydrophobicContact CE3-CG2 4.07Å; W369-I429 HydrophobicContact CG-CB 4.34Å; W369-I429 HydrophobicContact CG-CD1 4.27Å; W369-I429 HydrophobicContact CG-CG1 4.06Å; W369-I429 HydrophobicContact CG-CG2 3.38Å; W369-F433 HydrophobicContact CE3-CE2 4.36Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.41Å; W369-F433 AromaticContact CZ3-CZ 3.86Å; W369-F433 HydrophobicContact CZ3-CZ 3.86Å
370	N	96.7	Very high	98.4	Very high	39 Å²	39	9.1 Å²	9.1	21%	0.209	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.5	172.1	66.4	-84	0	0	0	112.8	W368 S420 T421	W368-N370 WeakPolarHBondContact CB-OD1 3.09Å; W368-N370 PolarHBondContact O-N 3.11Å; N370-S420 VanDerWaalsContact O-CA 3.26Å; N370-S420 WeakPolarHBondContact O-CA 3.45Å; N370-S420 PolarHBondContact O-OG 3.46Å; N370-T421 VanDerWaalsContact CA-O 3.23Å; N370-T421 WeakPolarHBondContact CA-O 3.38Å; N370-T421 WeakPolarHBondContact CB-O 3.48Å; N370-T421 PolarHBondContact O-N 2.98Å
371	D	97.3	Very high	98.4	Very high	7 Å²	7	9.2 Å²	9.2	4%	0.037	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-110.7	28.4	179.4	-69.1	-18.8	0	0	0	111.6	M366 W368 W369 W373 L374 S420 K474 N475	M366-D371 HydrophobicContact CB-CB 4.21Å; M366-D371 WeakPolarHBondContact CB-O 3.4Å; W368-D371 PolarHBondContact O-N 3.26Å; W368-D371 VanDerWaalsContact O-N 3.07Å; W369-D371 PolarHBondContact O-N 3.33Å; D371-W373 PolarHBondContact O-N 3.22Å; D371-L374 HydrophobicContact CB-CD1 3.84Å; D371-L374 HydrophobicContact CB-CG 4.19Å; D371-L374 WeakPolarHBondContact O-CB 3.19Å; D371-L374 WeakPolarHBondContact O-CG 3.47Å; D371-L374 PolarHBondContact O-N 3.07Å; D371-S420 WeakPolarHBondContact OD1-CB 3.38Å; D371-S420 PolarHBondContact OD1-OG 3.25Å; D371-K474 WeakPolarHBondContact OD2-CA 3.29Å; D371-N475 PolarHBondContact OD1-OD1 3.47Å; D371-N475 VanDerWaalsContact OD1-OD1 3.04Å; D371-N475 PolarHBondContact OD2-N 2.81Å; D371-N475 VanDerWaalsContact OD2-N 3.14Å; D371-N475 PolarHBondContact OD2-OD1 2.9Å
372	L	97.7	Very high	98.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-32.8	179.2	174.9	63.4	0	0	0	113.2	M366 W369 L374 N375 E376 M432 F433	M366-L372 HydrophobicContact CE-CD1 3.88Å; W369-L372 HydrophobicContact CE3-CD1 4.04Å; W369-L372 HydrophobicContact CZ3-CD1 4.07Å; W369-L372 WeakPolarHBondContact O-CB 3.34Å; W369-L372 PolarHBondContact O-N 2.83Å; L372-L374 PolarHBondContact O-N 3.02Å; L372-N375 WeakPolarHBondContact O-CB 3.44Å; L372-N375 PolarHBondContact O-N 3.02Å; L372-E376 HydrophobicContact CD1-CG 3.78Å; L372-E376 HydrophobicContact CD2-CG 4.23Å; L372-E376 HydrophobicContact CG-CG 3.74Å; L372-E376 PolarHBondContact O-N 2.66Å; L372-E376 VanDerWaalsContact O-N 3.11Å; L372-M432 HydrophobicContact CB-CB 4.38Å; L372-M432 HydrophobicContact CD2-CB 3.68Å; L372-F433 HydrophobicContact CD1-CE1 4.03Å; L372-F433 HydrophobicContact CD1-CZ 3.92Å; L372-F433 HydrophobicContact CD2-CD1 3.85Å; L372-F433 HydrophobicContact CD2-CD2 3.62Å; L372-F433 HydrophobicContact CD2-CE1 3.79Å; L372-F433 HydrophobicContact CD2-CE2 3.58Å; L372-F433 HydrophobicContact CD2-CG 3.76Å; L372-F433 HydrophobicContact CD2-CZ 3.66Å; L372-F433 HydrophobicContact CG-CZ 4.46Å
373	W	98.4	Very high	98.5	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-57.8	-20.2	176.7	81.2	-76.8	0	0	0	114.3	D371 N375 G377 V419 I444 L445 N475 L478 W479	D371-W373 PolarHBondContact O-N 3.22Å; W373-N375 PolarHBondContact O-N 3.26Å; W373-G377 VanDerWaalsContact O-CA 3.28Å; W373-G377 WeakPolarHBondContact O-CA 3.5Å; W373-G377 PolarHBondContact O-N 3.38Å; W373-V419 HydrophobicContact CB-CG1 3.5Å; W373-V419 VanDerWaalsContact CB-CG1 3.5Å; W373-V419 HydrophobicContact CD2-CG1 3.52Å; W373-V419 HydrophobicContact CE3-CG1 4.02Å; W373-V419 HydrophobicContact CG-CG1 3.25Å; W373-I444 HydrophobicContact CE3-CD1 4.42Å; W373-I444 HydrophobicContact CZ3-CD1 4.04Å; W373-L445 HydrophobicContact CZ3-CD2 4.22Å; W373-L445 HydrophobicContact CZ3-CG 4.31Å; W373-N475 PolarHBondContact NE1-ND2 3.24Å; W373-N475 PolarHBondContact NE1-OD1 3.23Å; W373-L478 HydrophobicContact CH2-CD2 3.68Å; W373-L478 HydrophobicContact CZ2-CD2 4.26Å; W373-L478 HydrophobicContact CZ3-CD2 4.43Å; W373-W479 AromaticContact CH2-CH2 3.97Å; W373-W479 HydrophobicContact CH2-CH2 3.97Å; W373-W479 AromaticContact CH2-CZ2 3.81Å; W373-W479 HydrophobicContact CH2-CZ2 3.81Å; W373-W479 HydrophobicContact CZ2-CZ2 4.26Å
374	L	98	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-65.5	-24.7	172.8	-66.4	178.3	0	0	0	112.4	M366 D371 L372 F378 L478	M366-L374 HydrophobicContact CB-CD1 4.47Å; D371-L374 HydrophobicContact CB-CD1 3.84Å; D371-L374 HydrophobicContact CB-CG 4.19Å; D371-L374 WeakPolarHBondContact O-CB 3.19Å; D371-L374 WeakPolarHBondContact O-CG 3.47Å; D371-L374 PolarHBondContact O-N 3.07Å; L372-L374 PolarHBondContact O-N 3.02Å; L374-F378 VanDerWaalsContact O-CD2 3.26Å; L374-F378 WeakPolarHBondContact O-CD2 3.39Å; L374-L478 HydrophobicContact CD2-CB 4.27Å; L374-L478 HydrophobicContact CD2-CD2 3.85Å
375	N	98.6	Very high	98.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-88.6	-67.8	168.2	-65.5	21.5	0	0	0	109	Y245 G361 M366 L372 W373 G377 F378 A379	Y245-N375 PolarHBondContact OH-ND2 2.84Å; G361-N375 VanDerWaalsContact CA-CG 3.45Å; G361-N375 VanDerWaalsContact CA-ND2 3.25Å; G361-N375 WeakPolarHBondContact CA-ND2 3.26Å; M366-N375 PolarHBondContact N-OD1 3.02Å; M366-N375 PolarHBondContact SD-ND2 3.07Å; M366-N375 PolarHBondContact SD-OD1 3.03Å; L372-N375 WeakPolarHBondContact O-CB 3.44Å; L372-N375 PolarHBondContact O-N 3.02Å; W373-N375 PolarHBondContact O-N 3.26Å; N375-G377 PolarHBondContact O-N 3.15Å; N375-F378 PolarHBondContact O-N 3Å; N375-A379 PolarHBondContact O-N 3.04Å
376	E	98.6	Very high	98.5	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-67.2	-41.5	-165.8	-58.1	-46.7	129.4	0	0	113.8	H353 H357 L372 F378 A379 K380 Y438	H353-E376 IonicContact NE2-OE2 3.68Å; H357-E376 IonicContact CE1-OE1 3Å; H357-E376 PolarHBondContact CE1-OE1 3Å; H357-E376 VanDerWaalsContact CE1-OE1 3.28Å; H357-E376 IonicContact CE1-OE2 3.68Å; H357-E376 IonicContact NE2-OE1 3.56Å; H357-E376 IonicContact NE2-OE2 2.83Å; H357-E376 PolarHBondContact NE2-OE2 2.96Å; L372-E376 HydrophobicContact CD1-CG 3.78Å; L372-E376 HydrophobicContact CD2-CG 4.23Å; L372-E376 HydrophobicContact CG-CG 3.74Å; L372-E376 PolarHBondContact O-N 2.66Å; L372-E376 VanDerWaalsContact O-N 3.11Å; E376-F378 VanDerWaalsContact C-N 3.31Å; E376-F378 PolarHBondContact O-N 3.42Å; E376-A379 PolarHBondContact O-N 2.91Å; E376-K380 WeakPolarHBondContact O-CB 3.34Å; E376-K380 PolarHBondContact O-N 3.22Å; E376-Y438 HydrophobicContact CB-CD1 3.87Å; E376-Y438 HydrophobicContact CB-CD2 4.04Å; E376-Y438 HydrophobicContact CB-CE1 3.8Å; E376-Y438 HydrophobicContact CB-CE2 3.99Å; E376-Y438 HydrophobicContact CB-CG 3.99Å; E376-Y438 VanDerWaalsContact CD-CZ 3.5Å; E376-Y438 HydrophobicContact CG-CD1 4.48Å; E376-Y438 HydrophobicContact CG-CD2 4.32Å; E376-Y438 HydrophobicContact CG-CE1 3.95Å; E376-Y438 HydrophobicContact CG-CE2 3.78Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.41Å; E376-Y438 PolarHBondContact OE2-OH 2.88Å
377	G	98.3	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-37.1	177.8	0	0	0	0	0	111.7	W373 N375 F381 S437 A442	W373-G377 VanDerWaalsContact O-CA 3.28Å; W373-G377 WeakPolarHBondContact O-CA 3.5Å; W373-G377 PolarHBondContact O-N 3.38Å; N375-G377 PolarHBondContact O-N 3.15Å; G377-F381 VanDerWaalsContact O-CB 3.23Å; G377-F381 WeakPolarHBondContact O-CB 3.45Å; G377-F381 PolarHBondContact O-N 2.86Å; G377-S437 WeakPolarHBondContact CA-O 3.42Å; G377-S437 PolarHBondContact N-O 3.23Å; G377-A442 WeakPolarHBondContact O-CA 3.05Å
378	F	98.8	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-72.2	-46.8	175.5	-91.3	-80.2	0	0	0	112.6	F360 L374 N375 E376 K380 F381 M382 L445 I461 L478	F360-F378 HydrophobicContact CB-CB 3.82Å; F360-F378 HydrophobicContact CD1-CB 3.66Å; F360-F378 AromaticContact CD1-CD1 3.76Å; F360-F378 HydrophobicContact CD1-CD1 3.76Å; F360-F378 HydrophobicContact CD1-CD2 4.12Å; F360-F378 HydrophobicContact CD1-CE1 4.45Å; F360-F378 AromaticContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD2-CB 4.07Å; F360-F378 HydrophobicContact CD2-CD1 4.36Å; F360-F378 HydrophobicContact CE1-CB 4.13Å; F360-F378 AromaticContact CE1-CD1 3.29Å; F360-F378 HydrophobicContact CE1-CD1 3.29Å; F360-F378 HydrophobicContact CE1-CD2 4.2Å; F360-F378 AromaticContact CE1-CE1 3.65Å; F360-F378 HydrophobicContact CE1-CE1 3.65Å; F360-F378 HydrophobicContact CE1-CE2 4.48Å; F360-F378 AromaticContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CZ 4.24Å; F360-F378 HydrophobicContact CE2-CB 4.47Å; F360-F378 AromaticContact CE2-CD1 3.94Å; F360-F378 HydrophobicContact CE2-CD1 3.94Å; F360-F378 HydrophobicContact CG-CB 3.61Å; F360-F378 HydrophobicContact CG-CD1 4.25Å; F360-F378 HydrophobicContact CG-CG 4.03Å; F360-F378 HydrophobicContact CZ-CB 4.48Å; F360-F378 AromaticContact CZ-CD1 3.36Å; F360-F378 HydrophobicContact CZ-CD1 3.36Å; F360-F378 AromaticContact CZ-CE1 3.78Å; F360-F378 HydrophobicContact CZ-CE1 3.78Å; F360-F378 HydrophobicContact CZ-CG 4.07Å; L374-F378 VanDerWaalsContact O-CD2 3.26Å; L374-F378 WeakPolarHBondContact O-CD2 3.39Å; N375-F378 PolarHBondContact O-N 3Å; E376-F378 VanDerWaalsContact C-N 3.31Å; E376-F378 PolarHBondContact O-N 3.42Å; F378-K380 VanDerWaalsContact C-N 3.33Å; F378-K380 PolarHBondContact O-N 3.43Å; F378-F381 PolarHBondContact O-N 2.97Å; F378-M382 WeakPolarHBondContact O-CB 3.23Å; F378-M382 VanDerWaalsContact O-CG 3.27Å; F378-M382 WeakPolarHBondContact O-CG 3.41Å; F378-M382 PolarHBondContact O-N 2.87Å; F378-L445 HydrophobicContact CB-CD1 4.39Å; F378-L445 HydrophobicContact CD1-CD1 3.81Å; F378-L445 HydrophobicContact CD2-CD1 3.77Å; F378-L445 HydrophobicContact CE1-CD1 3.92Å; F378-L445 HydrophobicContact CE1-CD2 3.92Å; F378-L445 HydrophobicContact CE2-CD1 3.9Å; F378-L445 HydrophobicContact CE2-CD2 3.85Å; F378-L445 HydrophobicContact CG-CD1 3.74Å; F378-L445 HydrophobicContact CZ-CD1 3.96Å; F378-L445 HydrophobicContact CZ-CD2 3.47Å; F378-L445 VanDerWaalsContact CZ-CD2 3.47Å; F378-L445 HydrophobicContact CZ-CG 4.39Å; F378-I461 HydrophobicContact CD1-CD1 4.41Å; F378-I461 HydrophobicContact CE1-CD1 3.77Å; F378-I461 HydrophobicContact CE1-CG1 3.99Å; F378-L478 HydrophobicContact CE2-CD1 4Å; F378-L478 HydrophobicContact CE2-CD2 3.63Å; F378-L478 HydrophobicContact CE2-CG 4.45Å; F378-L478 HydrophobicContact CZ-CD1 3.6Å; F378-L478 HydrophobicContact CZ-CD2 3.84Å; F378-L478 HydrophobicContact CZ-CG 4.37Å
379	A	98.8	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60	-46.5	177.3	0	0	0	0	0	110.7	A356 H357 N375 E376 F381 M382 E383	A356-A379 HydrophobicContact CB-CB 4.32Å; H357-A379 WeakPolarHBondContact CE1-CB 3.45Å; H357-A379 WeakPolarHBondContact NE2-CB 3.14Å; N375-A379 PolarHBondContact O-N 3.04Å; E376-A379 PolarHBondContact O-N 2.91Å; A379-F381 PolarHBondContact O-N 3.34Å; A379-M382 PolarHBondContact O-N 3.11Å; A379-M382 VanDerWaalsContact O-N 3.14Å; A379-E383 PolarHBondContact O-N 2.73Å
380	K	98.8	Very high	98.5	Very high	33 Å²	33	14.6 Å²	14.6	14%	0.143	8%	0.084	C	C	.	.	H	α-helix	trans	-56.3	-46.5	174	-178.6	59.5	62.4	-156.4	0	112.3	H353 E376 F378 E383 F384 A442	H353-K380 PolarHBondContact ND1-N 3.36Å; E376-K380 WeakPolarHBondContact O-CB 3.34Å; E376-K380 PolarHBondContact O-N 3.22Å; F378-K380 VanDerWaalsContact C-N 3.33Å; F378-K380 PolarHBondContact O-N 3.43Å; K380-E383 WeakPolarHBondContact CA-OE1 3.45Å; K380-E383 WeakPolarHBondContact CD-OE1 3.3Å; K380-E383 VanDerWaalsContact CE-OE1 3.31Å; K380-E383 WeakPolarHBondContact CE-OE1 3.26Å; K380-E383 IonicContact NZ-OE1 3.66Å; K380-E383 PolarHBondContact NZ-OE1 3.12Å; K380-E383 IonicContact NZ-OE2 2.72Å; K380-E383 PolarHBondContact NZ-OE2 2.65Å; K380-E383 WeakPolarHBondContact O-CB 3.42Å; K380-E383 PolarHBondContact O-N 3.15Å; K380-F384 HydrophobicContact CD-CE2 4.37Å; K380-F384 WeakPolarHBondContact O-CD2 3.5Å; K380-A442 HydrophobicContact CB-CB 3.91Å; K380-A442 HydrophobicContact CG-CB 3.58Å
381	F	98.9	Very high	98.6	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-63.9	-41.3	176.8	173.7	-105.2	0	0	0	112.5	G377 F378 A379 E383 F384 V385 F400 A442 L445 N446 R449 F457	G377-F381 VanDerWaalsContact O-CB 3.23Å; G377-F381 WeakPolarHBondContact O-CB 3.45Å; G377-F381 PolarHBondContact O-N 2.86Å; F378-F381 PolarHBondContact O-N 2.97Å; A379-F381 PolarHBondContact O-N 3.34Å; F381-E383 VanDerWaalsContact C-N 3.28Å; F381-E383 PolarHBondContact O-N 2.96Å; F381-F384 PolarHBondContact O-N 2.99Å; F381-V385 HydrophobicContact CD1-CG2 4.12Å; F381-V385 HydrophobicContact CE1-CG2 3.44Å; F381-V385 VanDerWaalsContact CE1-CG2 3.44Å; F381-V385 HydrophobicContact CE2-CG2 4.03Å; F381-V385 HydrophobicContact CZ-CG2 3.38Å; F381-V385 PolarHBondContact O-N 2.99Å; F381-F400 HydrophobicContact CD2-CZ 4.5Å; F381-A442 HydrophobicContact CB-CB 3.92Å; F381-L445 HydrophobicContact CB-CB 4.41Å; F381-L445 HydrophobicContact CB-CD1 4.15Å; F381-L445 HydrophobicContact CD1-CB 4.43Å; F381-L445 HydrophobicContact CD2-CB 4.26Å; F381-L445 HydrophobicContact CG-CB 4.08Å; F381-L445 HydrophobicContact CG-CD1 4.49Å; F381-N446 HydrophobicContact CD2-CB 4.03Å; F381-N446 HydrophobicContact CE2-CB 3.74Å; F381-R449 HydrophobicContact CZ-CB 4.47Å; F381-F457 HydrophobicContact CD1-CE1 4.45Å; F381-F457 AromaticContact CE1-CE1 3.59Å; F381-F457 HydrophobicContact CE1-CE1 3.59Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.05Å; F381-F457 HydrophobicContact CZ-CZ 4.48Å
382	M	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72	-17.7	-178.1	-74.3	-52.8	-53.2	0	0	113.7	F292 Y293 Y296 F297 A356 F360 F378 A379 F384 V385 S386	F292-M382 HydrophobicContact CE1-CE 4.27Å; Y293-M382 HydrophobicContact CD1-CE 4.07Å; Y293-M382 HydrophobicContact CE1-CB 4.11Å; Y293-M382 HydrophobicContact CE1-CE 3.61Å; Y293-M382 PolarHBondContact OH-O 2.97Å; Y296-M382 HydrophobicContact CD1-CE 4.09Å; Y296-M382 HydrophobicContact CE1-CE 4.03Å; F297-M382 HydrophobicContact CE1-CE 4.05Å; F297-M382 HydrophobicContact CE1-SD 4.31Å; F297-M382 HydrophobicContact CZ-CE 3.65Å; F297-M382 HydrophobicContact CZ-CG 4.31Å; F297-M382 HydrophobicContact CZ-SD 4.12Å; A356-M382 HydrophobicContact CB-CB 3.66Å; A356-M382 HydrophobicContact CB-CG 4.42Å; F360-M382 HydrophobicContact CD2-CG 4.25Å; F360-M382 HydrophobicContact CE2-CG 3.96Å; F378-M382 WeakPolarHBondContact O-CB 3.23Å; F378-M382 VanDerWaalsContact O-CG 3.27Å; F378-M382 WeakPolarHBondContact O-CG 3.41Å; F378-M382 PolarHBondContact O-N 2.87Å; A379-M382 PolarHBondContact O-N 3.11Å; A379-M382 VanDerWaalsContact O-N 3.14Å; M382-F384 VanDerWaalsContact C-N 3.33Å; M382-V385 HydrophobicContact CE-CB 3.85Å; M382-V385 HydrophobicContact CE-CG1 3.71Å; M382-V385 HydrophobicContact SD-CB 4.1Å; M382-V385 HydrophobicContact SD-CG1 4.3Å; M382-V385 HydrophobicContact SD-CG2 4.26Å; M382-S386 VanDerWaalsContact O-CB 3.26Å; M382-S386 WeakPolarHBondContact O-CB 3.23Å; M382-S386 PolarHBondContact O-N 3.38Å; M382-S386 PolarHBondContact O-OG 3.14Å
383	E	98.8	Very high	98.6	Very high	11 Å²	11	22.8 Å²	22.8	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-54.1	-52.5	166	-65.5	171.1	-141.1	0	0	110.1	M349 H353 A379 K380 F381 S386 V387	M349-E383 HydrophobicContact CE-CB 3.53Å; M349-E383 HydrophobicContact CE-CG 4.44Å; M349-E383 WeakPolarHBondContact CE-OE2 3.39Å; M349-E383 WeakPolarHBondContact O-CG 3.35Å; M349-E383 HydrophobicContact SD-CB 4.18Å; H353-E383 HydrophobicContact CB-CG 3.81Å; H353-E383 IonicContact CE1-OE1 2.98Å; H353-E383 IonicContact CG-OE1 3.39Å; H353-E383 IonicContact ND1-OE1 3.03Å; H353-E383 PolarHBondContact ND1-OE1 3.34Å; A379-E383 PolarHBondContact O-N 2.73Å; K380-E383 WeakPolarHBondContact CA-OE1 3.45Å; K380-E383 WeakPolarHBondContact CD-OE1 3.3Å; K380-E383 VanDerWaalsContact CE-OE1 3.31Å; K380-E383 WeakPolarHBondContact CE-OE1 3.26Å; K380-E383 IonicContact NZ-OE1 3.66Å; K380-E383 PolarHBondContact NZ-OE1 3.12Å; K380-E383 IonicContact NZ-OE2 2.72Å; K380-E383 PolarHBondContact NZ-OE2 2.65Å; K380-E383 WeakPolarHBondContact O-CB 3.42Å; K380-E383 PolarHBondContact O-N 3.15Å; F381-E383 VanDerWaalsContact C-N 3.28Å; F381-E383 PolarHBondContact O-N 2.96Å; E383-S386 PolarHBondContact O-N 3.47Å; E383-S386 PolarHBondContact O-OG 2.82Å; E383-S386 VanDerWaalsContact O-OG 3.11Å; E383-V387 VanDerWaalsContact O-CB 3.25Å; E383-V387 WeakPolarHBondContact O-CB 3.25Å; E383-V387 VanDerWaalsContact O-CG2 3.23Å; E383-V387 WeakPolarHBondContact O-CG2 3.43Å; E383-V387 PolarHBondContact O-N 3.39Å
384	F	98.8	Very high	98.6	Very high	19 Å²	19	24.1 Å²	24.1	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-72	-37.8	-174.9	-66.8	-93.6	0	0	0	112.2	M349 K380 F381 M382 S388 V396 F400 K403	M349-F384 HydrophobicContact CE-CD1 3.97Å; M349-F384 HydrophobicContact CE-CD2 3.9Å; M349-F384 HydrophobicContact CE-CE1 3.74Å; M349-F384 HydrophobicContact CE-CE2 3.67Å; M349-F384 HydrophobicContact CE-CG 4.06Å; M349-F384 HydrophobicContact CE-CZ 3.6Å; K380-F384 HydrophobicContact CD-CE2 4.37Å; K380-F384 WeakPolarHBondContact O-CD2 3.5Å; F381-F384 PolarHBondContact O-N 2.99Å; M382-F384 VanDerWaalsContact C-N 3.33Å; F384-S388 WeakPolarHBondContact O-CB 3.32Å; F384-S388 PolarHBondContact O-N 3.25Å; F384-S388 PolarHBondContact O-OG 2.7Å; F384-V396 HydrophobicContact CD1-CB 4.16Å; F384-V396 HydrophobicContact CD1-CG2 4.35Å; F384-V396 VanDerWaalsContact CD1-O 3.24Å; F384-V396 WeakPolarHBondContact CD1-O 3.13Å; F384-V396 WeakPolarHBondContact CE1-O 3.23Å; F384-F400 HydrophobicContact CB-CD2 4.11Å; F384-F400 HydrophobicContact CD1-CB 3.66Å; F384-F400 AromaticContact CD1-CD2 3.72Å; F384-F400 HydrophobicContact CD1-CD2 3.72Å; F384-F400 HydrophobicContact CD1-CG 4.17Å; F384-F400 AromaticContact CD2-CD2 3.44Å; F384-F400 HydrophobicContact CD2-CD2 3.44Å; F384-F400 VanDerWaalsContact CD2-CD2 3.44Å; F384-F400 AromaticContact CD2-CE2 3.91Å; F384-F400 HydrophobicContact CD2-CE2 3.91Å; F384-F400 VanDerWaalsContact CE1-CA 3.43Å; F384-F400 HydrophobicContact CE1-CB 3.74Å; F384-F400 AromaticContact CE1-CD2 3.92Å; F384-F400 HydrophobicContact CE1-CD2 3.92Å; F384-F400 HydrophobicContact CE1-CG 4.36Å; F384-F400 AromaticContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CE2 4.19Å; F384-F400 HydrophobicContact CG-CB 4.25Å; F384-F400 AromaticContact CG-CD2 3.46Å; F384-F400 HydrophobicContact CG-CD2 3.46Å; F384-F400 VanDerWaalsContact CG-CD2 3.46Å; F384-F400 HydrophobicContact CG-CE2 4.26Å; F384-F400 HydrophobicContact CG-CG 4.27Å; F384-F400 HydrophobicContact CZ-CB 4.39Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; F384-K403 HydrophobicContact CE2-CG 4.46Å; F384-K403 HydrophobicContact CZ-CG 4.14Å
385	V	98.9	Very high	98.6	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.085	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-45.5	176	175.6	0	0	0	0	111.3	F292 Y296 F381 M382 S388	F292-V385 HydrophobicContact CZ-CG1 4.18Å; Y296-V385 HydrophobicContact CE1-CG1 4.44Å; Y296-V385 HydrophobicContact CE2-CG1 4.13Å; F381-V385 HydrophobicContact CD1-CG2 4.12Å; F381-V385 HydrophobicContact CE1-CG2 3.44Å; F381-V385 VanDerWaalsContact CE1-CG2 3.44Å; F381-V385 HydrophobicContact CE2-CG2 4.03Å; F381-V385 HydrophobicContact CZ-CG2 3.38Å; F381-V385 PolarHBondContact O-N 2.99Å; M382-V385 HydrophobicContact CE-CB 3.85Å; M382-V385 HydrophobicContact CE-CG1 3.71Å; M382-V385 HydrophobicContact SD-CB 4.1Å; M382-V385 HydrophobicContact SD-CG1 4.3Å; M382-V385 HydrophobicContact SD-CG2 4.26Å; V385-S388 PolarHBondContact O-OG 3.41Å
386	S	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-76.8	-45.4	-176.4	63	0	0	0	0	113	F292 Y293 M382 E383 S388 V389 T390	F292-S386 VanDerWaalsContact CE1-CA 3.43Å; F292-S386 VanDerWaalsContact CE1-CB 3.43Å; Y293-S386 VanDerWaalsContact OH-CB 3.3Å; Y293-S386 WeakPolarHBondContact OH-CB 3.36Å; Y293-S386 PolarHBondContact OH-OG 3.05Å; M382-S386 VanDerWaalsContact O-CB 3.26Å; M382-S386 WeakPolarHBondContact O-CB 3.23Å; M382-S386 PolarHBondContact O-N 3.38Å; M382-S386 PolarHBondContact O-OG 3.14Å; E383-S386 PolarHBondContact O-N 3.47Å; E383-S386 PolarHBondContact O-OG 2.82Å; E383-S386 VanDerWaalsContact O-OG 3.11Å; S386-S388 VanDerWaalsContact C-N 3.33Å; S386-S388 PolarHBondContact O-N 3.48Å; S386-V389 PolarHBondContact O-N 3.02Å; S386-V389 VanDerWaalsContact O-N 3.16Å; S386-T390 WeakPolarHBondContact O-CB 3.27Å; S386-T390 WeakPolarHBondContact O-CG2 3.45Å; S386-T390 PolarHBondContact O-N 3.49Å; S386-T390 PolarHBondContact O-OG1 2.88Å
387	V	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.5	-29.4	-175.2	-179.6	0	0	0	0	111	L289 T348 M349 A352 E383 V389 T390 H391 L394 V396	L289-V387 HydrophobicContact CD2-CG2 4.2Å; T348-V387 HydrophobicContact CG2-CG1 3.9Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; M349-V387 HydrophobicContact SD-CB 4.01Å; M349-V387 HydrophobicContact SD-CG1 4.09Å; M349-V387 HydrophobicContact SD-CG2 3.88Å; A352-V387 HydrophobicContact CB-CG2 3.61Å; E383-V387 VanDerWaalsContact O-CB 3.25Å; E383-V387 WeakPolarHBondContact O-CB 3.25Å; E383-V387 VanDerWaalsContact O-CG2 3.23Å; E383-V387 WeakPolarHBondContact O-CG2 3.43Å; E383-V387 PolarHBondContact O-N 3.39Å; V387-V389 PolarHBondContact O-N 2.89Å; V387-T390 WeakPolarHBondContact CA-OG1 3.43Å; V387-H391 HydrophobicContact CG1-CB 4.02Å; V387-H391 CarbonylContact O-C 3.24Å; V387-H391 VanDerWaalsContact O-C 3.24Å; V387-H391 WeakPolarHBondContact O-CA 3.41Å; V387-H391 PolarHBondContact O-N 3.45Å; V387-L394 HydrophobicContact CG1-CD1 4.08Å; V387-V396 HydrophobicContact CB-CG1 4.27Å; V387-V396 HydrophobicContact CB-CG2 3.9Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.55Å; V387-V396 HydrophobicContact CG1-CG2 3.97Å
388	S	98.7	Very high	98.5	Very high	54 Å²	54	37.3 Å²	37.3	38%	0.378	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-24.8	172.2	62	0	0	0	0	113.8	F384 V385 S386	F384-S388 WeakPolarHBondContact O-CB 3.32Å; F384-S388 PolarHBondContact O-N 3.25Å; F384-S388 PolarHBondContact O-OG 2.7Å; V385-S388 PolarHBondContact O-OG 3.41Å; S386-S388 VanDerWaalsContact C-N 3.33Å; S386-S388 PolarHBondContact O-N 3.48Å
389	V	98.8	Very high	98.4	Very high	92 Å²	92	44 Å²	44	56%	0.558	24%	0.235	S	C	*	.	H	α-helix	trans	-93.4	-45.4	177.1	177.1	0	0	0	0	111.6	F292 S386 V387	F292-V389 HydrophobicContact CD2-CB 4.14Å; F292-V389 HydrophobicContact CD2-CG1 3.95Å; F292-V389 HydrophobicContact CE2-CB 3.73Å; F292-V389 HydrophobicContact CE2-CG1 3.81Å; F292-V389 HydrophobicContact CE2-CG2 3.9Å; F292-V389 HydrophobicContact CZ-CG2 4.46Å; S386-V389 PolarHBondContact O-N 3.02Å; S386-V389 VanDerWaalsContact O-N 3.16Å; V387-V389 PolarHBondContact O-N 2.89Å
390	T	98.8	Very high	98.4	Very high	27 Å²	27	44.7 Å²	44.7	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-79.7	-31	-173.2	55.7	0	0	0	0	113.2	T288 L289 F292 S386 V387	T288-T390 HydrophobicContact CG2-CG2 3.83Å; L289-T390 HydrophobicContact CD2-CG2 4.14Å; F292-T390 HydrophobicContact CB-CG2 3.71Å; F292-T390 HydrophobicContact CD2-CG2 4.17Å; F292-T390 HydrophobicContact CG-CG2 3.98Å; S386-T390 WeakPolarHBondContact O-CB 3.27Å; S386-T390 WeakPolarHBondContact O-CG2 3.45Å; S386-T390 PolarHBondContact O-N 3.49Å; S386-T390 PolarHBondContact O-OG1 2.88Å; V387-T390 WeakPolarHBondContact CA-OG1 3.43Å
391	H	98.4	Very high	98.3	Very high	21 Å²	21	48.9 Å²	48.9	10%	0.097	26%	0.257	C	S	.	.			trans	-135.8	62.2	-178.3	-60.8	81	0	0	0	110.5	V387 E393 L394	V387-H391 HydrophobicContact CG1-CB 4.02Å; V387-H391 CarbonylContact O-C 3.24Å; V387-H391 VanDerWaalsContact O-C 3.24Å; V387-H391 WeakPolarHBondContact O-CA 3.41Å; V387-H391 PolarHBondContact O-N 3.45Å; H391-E393 VanDerWaalsContact CA-OE2 3.23Å; H391-E393 WeakPolarHBondContact CA-OE2 3.31Å; H391-E393 IonicContact CD2-OE1 2.59Å; H391-E393 PolarHBondContact O-N 3.44Å; H391-E393 VanDerWaalsContact O-N 3.1Å; H391-L394 HydrophobicContact CB-CB 4.48Å; H391-L394 HydrophobicContact CB-CD1 3.7Å; H391-L394 HydrophobicContact CB-CG 3.95Å; H391-L394 WeakPolarHBondContact O-CB 3.38Å; H391-L394 PolarHBondContact O-N 2.9Å
392	P	98.4	Very high	98.2	Very high	79 Å²	79	49.8 Å²	49.8	51%	0.513	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-60.9	-23.3	-174.7	26.8	-35.8	0	0	0	113.2	L394 K395	P392-L394 PolarHBondContact O-N 3.38Å; P392-K395 PolarHBondContact O-N 3.2Å
393	E	98.1	Very high	98.1	Very high	118 Å²	118	53 Å²	53	55%	0.551	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23.3	174.7	77.5	-72.5	177.4	0	0	113.4	H391 K395	H391-E393 VanDerWaalsContact CA-OE2 3.23Å; H391-E393 WeakPolarHBondContact CA-OE2 3.31Å; H391-E393 IonicContact CD2-OE1 2.59Å; H391-E393 PolarHBondContact O-N 3.44Å; H391-E393 VanDerWaalsContact O-N 3.1Å; E393-K395 VanDerWaalsContact C-N 3.31Å
394	L	97.9	Very high	98.1	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-79.7	-12.4	176.8	-62	-178.3	0	0	0	113.2	L345 T348 V387 H391 P392 V396 Y399	L345-L394 HydrophobicContact CD1-CB 4.32Å; L345-L394 HydrophobicContact CD1-CD1 4.15Å; T348-L394 HydrophobicContact CG2-CD1 3.96Å; V387-L394 HydrophobicContact CG1-CD1 4.08Å; H391-L394 HydrophobicContact CB-CB 4.48Å; H391-L394 HydrophobicContact CB-CD1 3.7Å; H391-L394 HydrophobicContact CB-CG 3.95Å; H391-L394 WeakPolarHBondContact O-CB 3.38Å; H391-L394 PolarHBondContact O-N 2.9Å; P392-L394 PolarHBondContact O-N 3.38Å; L394-V396 HydrophobicContact CB-CG1 3.92Å; L394-V396 PolarHBondContact O-N 3.38Å; L394-V396 VanDerWaalsContact O-N 3.11Å; L394-Y399 WeakPolarHBondContact O-CE2 3.42Å
395	K	97.9	Very high	98	Very high	133 Å²	133	58.6 Å²	58.6	58%	0.578	31%	0.309	S	S	*	.			trans	47.9	39.3	175.9	-61.6	-170.6	176.1	-174.7	0	114.9	P392 E393 G397 D398	P392-K395 PolarHBondContact O-N 3.2Å; E393-K395 VanDerWaalsContact C-N 3.31Å; K395-G397 PolarHBondContact O-N 2.89Å; K395-G397 VanDerWaalsContact O-N 3.07Å; K395-D398 WeakPolarHBondContact O-CB 3.36Å; K395-D398 PolarHBondContact O-N 3.05Å
396	V	98.3	Very high	97.9	Very high	1 Å²	1	61 Å²	61	1%	0.006	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.3	-171.1	-60.9	0	0	0	0	114.6	L345 M349 F384 V387 L394 D398 Y399 F400	L345-V396 HydrophobicContact CD1-CG1 3.59Å; M349-V396 HydrophobicContact CE-CB 4.49Å; M349-V396 HydrophobicContact SD-CB 4.26Å; M349-V396 HydrophobicContact SD-CG1 3.85Å; F384-V396 HydrophobicContact CD1-CB 4.16Å; F384-V396 HydrophobicContact CD1-CG2 4.35Å; F384-V396 VanDerWaalsContact CD1-O 3.24Å; F384-V396 WeakPolarHBondContact CD1-O 3.13Å; F384-V396 WeakPolarHBondContact CE1-O 3.23Å; V387-V396 HydrophobicContact CB-CG1 4.27Å; V387-V396 HydrophobicContact CB-CG2 3.9Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.55Å; V387-V396 HydrophobicContact CG1-CG2 3.97Å; L394-V396 HydrophobicContact CB-CG1 3.92Å; L394-V396 PolarHBondContact O-N 3.38Å; L394-V396 VanDerWaalsContact O-N 3.11Å; V396-D398 PolarHBondContact O-N 2.95Å; V396-Y399 PolarHBondContact O-N 2.84Å; V396-F400 PolarHBondContact O-N 3.13Å
397	G	97.3	Very high	97.6	Very high	45 Å²	45	61.2 Å²	61.2	46%	0.464	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-57.9	-33	175.3	0	0	0	0	0	113.2	K395 Y399 F400	K395-G397 PolarHBondContact O-N 2.89Å; K395-G397 VanDerWaalsContact O-N 3.07Å; G397-Y399 PolarHBondContact O-N 3.4Å; G397-F400 PolarHBondContact O-N 2.98Å
398	D	97.9	Very high	97.4	Very high	103 Å²	103	66.6 Å²	66.6	55%	0.551	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-71	-17.9	178.3	-64.2	-14.4	0	0	0	112.1	K395 V396 F401	K395-D398 WeakPolarHBondContact O-CB 3.36Å; K395-D398 PolarHBondContact O-N 3.05Å; V396-D398 PolarHBondContact O-N 2.95Å; D398-F401 WeakPolarHBondContact O-CD1 3.48Å; D398-F401 WeakPolarHBondContact O-CE1 3.42Å
399	Y	96.9	Very high	97.2	Very high	139 Å²	139	70.8 Å²	70.8	55%	0.545	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-96.5	-13.4	179	-54.1	-50	0	0	0	113.4	L345 L394 V396 G397 F401 G402	L345-Y399 HydrophobicContact CD2-CD2 4.23Å; L345-Y399 HydrophobicContact CD2-CE2 4.19Å; L394-Y399 WeakPolarHBondContact O-CE2 3.42Å; V396-Y399 PolarHBondContact O-N 2.84Å; G397-Y399 PolarHBondContact O-N 3.4Å; Y399-F401 PolarHBondContact O-N 2.98Å; Y399-G402 PolarHBondContact O-N 3.06Å; Y399-G402 VanDerWaalsContact O-N 3.16Å
400	F	98.1	Very high	96.8	Very high	16 Å²	16	68.6 Å²	68.6	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-44	-171.7	179.7	-103.3	0	0	0	113.5	F381 F384 V396 G397 G402 K403 A442 N446	F381-F400 HydrophobicContact CD2-CZ 4.5Å; F384-F400 HydrophobicContact CB-CD2 4.11Å; F384-F400 HydrophobicContact CD1-CB 3.66Å; F384-F400 AromaticContact CD1-CD2 3.72Å; F384-F400 HydrophobicContact CD1-CD2 3.72Å; F384-F400 HydrophobicContact CD1-CG 4.17Å; F384-F400 AromaticContact CD2-CD2 3.44Å; F384-F400 HydrophobicContact CD2-CD2 3.44Å; F384-F400 VanDerWaalsContact CD2-CD2 3.44Å; F384-F400 AromaticContact CD2-CE2 3.91Å; F384-F400 HydrophobicContact CD2-CE2 3.91Å; F384-F400 VanDerWaalsContact CE1-CA 3.43Å; F384-F400 HydrophobicContact CE1-CB 3.74Å; F384-F400 AromaticContact CE1-CD2 3.92Å; F384-F400 HydrophobicContact CE1-CD2 3.92Å; F384-F400 HydrophobicContact CE1-CG 4.36Å; F384-F400 AromaticContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CE2 4.19Å; F384-F400 HydrophobicContact CG-CB 4.25Å; F384-F400 AromaticContact CG-CD2 3.46Å; F384-F400 HydrophobicContact CG-CD2 3.46Å; F384-F400 VanDerWaalsContact CG-CD2 3.46Å; F384-F400 HydrophobicContact CG-CE2 4.26Å; F384-F400 HydrophobicContact CG-CG 4.27Å; F384-F400 HydrophobicContact CZ-CB 4.39Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; V396-F400 PolarHBondContact O-N 3.13Å; G397-F400 PolarHBondContact O-N 2.98Å; F400-G402 PolarHBondContact O-N 2.71Å; F400-G402 VanDerWaalsContact O-N 3.09Å; F400-K403 WeakPolarHBondContact O-CB 3.26Å; F400-K403 PolarHBondContact O-N 3.42Å; F400-A442 HydrophobicContact CE2-CB 4.21Å; F400-A442 HydrophobicContact CZ-CB 4.36Å; F400-N446 HydrophobicContact CD1-CB 4.45Å; F400-N446 HydrophobicContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CG 3.49Å; F400-N446 WeakPolarHBondContact CE1-ND2 3Å; F400-N446 HydrophobicContact CZ-CB 3.51Å
401	F	96.7	Very high	96.4	Very high	120 Å²	120	70 Å²	70	53%	0.526	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-21.7	-175.9	71.3	-98.8	0	0	0	112.8	D398 Y399 K403 C404 F405	D398-F401 WeakPolarHBondContact O-CD1 3.48Å; D398-F401 WeakPolarHBondContact O-CE1 3.42Å; Y399-F401 PolarHBondContact O-N 2.98Å; F401-K403 PolarHBondContact O-N 3.34Å; F401-C404 WeakPolarHBondContact O-CB 3.28Å; F401-C404 PolarHBondContact O-N 3.08Å; F401-C404 VanDerWaalsContact O-N 3.11Å; F401-F405 AromaticContact CD2-CD2 3.73Å; F401-F405 HydrophobicContact CD2-CD2 3.73Å; F401-F405 AromaticContact CD2-CE2 3.33Å; F401-F405 HydrophobicContact CD2-CE2 3.33Å; F401-F405 HydrophobicContact CD2-CZ 4.21Å; F401-F405 HydrophobicContact CE2-CD2 4.08Å; F401-F405 AromaticContact CE2-CE2 3.64Å; F401-F405 HydrophobicContact CE2-CE2 3.64Å; F401-F405 PolarHBondContact O-N 2.92Å; F401-F405 VanDerWaalsContact O-N 3.17Å
402	G	97.5	Very high	96.1	Very high	23 Å²	23	69.5 Å²	69.5	24%	0.237	36%	0.356	C	S	.	.	H	α-helix	trans	-57.2	-39.1	172.9	0	0	0	0	0	111.8	Y399 F400 C404 F405 D406	Y399-G402 PolarHBondContact O-N 3.06Å; Y399-G402 VanDerWaalsContact O-N 3.16Å; F400-G402 PolarHBondContact O-N 2.71Å; F400-G402 VanDerWaalsContact O-N 3.09Å; G402-C404 VanDerWaalsContact C-N 3.29Å; G402-C404 PolarHBondContact O-N 3.04Å; G402-F405 WeakPolarHBondContact O-CB 3.12Å; G402-F405 PolarHBondContact O-N 3.4Å; G402-D406 PolarHBondContact O-N 3.47Å
403	K	97.3	Very high	95.5	Very high	67 Å²	67	69.5 Å²	69.5	29%	0.291	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-35.5	175.8	-61.6	-46.2	-168.4	173.9	0	113	F384 F400 F401 F405 D406 A407 D439	F384-K403 HydrophobicContact CE2-CG 4.46Å; F384-K403 HydrophobicContact CZ-CG 4.14Å; F400-K403 WeakPolarHBondContact O-CB 3.26Å; F400-K403 PolarHBondContact O-N 3.42Å; F401-K403 PolarHBondContact O-N 3.34Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 2.97Å; K403-D406 WeakPolarHBondContact CD-OD2 3.44Å; K403-D406 IonicContact NZ-OD2 2.9Å; K403-D406 PolarHBondContact NZ-OD2 2.51Å; K403-D406 VanDerWaalsContact NZ-OD2 3.13Å; K403-D406 PolarHBondContact O-N 3Å; K403-A407 WeakPolarHBondContact O-CB 3.49Å; K403-A407 PolarHBondContact O-N 3.2Å; K403-D439 HydrophobicContact CB-CB 4.15Å; K403-D439 IonicContact NZ-OD2 3.46Å; K403-D439 WeakPolarHBondContact O-CB 3.47Å
404	C	96.9	Very high	95	Very high	25 Å²	25	69.4 Å²	69.4	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-33.3	175.1	-49.9	0	0	0	0	111.8	F401 G402 M408 C443	F401-C404 WeakPolarHBondContact O-CB 3.28Å; F401-C404 PolarHBondContact O-N 3.08Å; F401-C404 VanDerWaalsContact O-N 3.11Å; G402-C404 VanDerWaalsContact C-N 3.29Å; G402-C404 PolarHBondContact O-N 3.04Å; C404-M408 WeakPolarHBondContact O-CB 3.35Å; C404-M408 WeakPolarHBondContact O-CG 3.49Å; C404-M408 PolarHBondContact O-N 3.14Å; C404-C443 WeakPolarHBondContact CA-SG 3.33Å; C404-C443 HydrophobicContact CB-CB 3.99Å; C404-C443 WeakPolarHBondContact CB-SG 3.24Å; C404-C443 PolarHBondContact N-SG 3.26Å; C404-C443 WeakPolarHBondContact SG-CB 3.41Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.39Å
405	F	97.6	Very high	94.6	Very high	123 Å²	123	72.8 Å²	72.8	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-71.4	-41.2	173.6	-66	-38.7	0	0	0	112.4	F401 G402 K403 A407 M408 E409	F401-F405 AromaticContact CD2-CD2 3.73Å; F401-F405 HydrophobicContact CD2-CD2 3.73Å; F401-F405 AromaticContact CD2-CE2 3.33Å; F401-F405 HydrophobicContact CD2-CE2 3.33Å; F401-F405 HydrophobicContact CD2-CZ 4.21Å; F401-F405 HydrophobicContact CE2-CD2 4.08Å; F401-F405 AromaticContact CE2-CE2 3.64Å; F401-F405 HydrophobicContact CE2-CE2 3.64Å; F401-F405 PolarHBondContact O-N 2.92Å; F401-F405 VanDerWaalsContact O-N 3.17Å; G402-F405 WeakPolarHBondContact O-CB 3.12Å; G402-F405 PolarHBondContact O-N 3.4Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 2.97Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 3.26Å; F405-M408 HydrophobicContact CD1-SD 4.08Å; F405-M408 PolarHBondContact O-N 3.46Å; F405-E409 PolarHBondContact O-N 3.19Å; F405-E409 VanDerWaalsContact O-N 3.15Å
406	D	95.9	Very high	94.2	Very high	65 Å²	65	67.9 Å²	67.9	35%	0.348	36%	0.363	S	S	.	.	H	α-helix	trans	-54.6	-51.6	172.7	-63	-17.2	0	0	0	109.8	G402 K403 M408 E409	G402-D406 PolarHBondContact O-N 3.47Å; K403-D406 WeakPolarHBondContact CD-OD2 3.44Å; K403-D406 IonicContact NZ-OD2 2.9Å; K403-D406 PolarHBondContact NZ-OD2 2.51Å; K403-D406 VanDerWaalsContact NZ-OD2 3.13Å; K403-D406 PolarHBondContact O-N 3Å; D406-M408 PolarHBondContact O-N 3.49Å; D406-E409 WeakPolarHBondContact O-CB 3.39Å; D406-E409 PolarHBondContact O-N 3.15Å
407	A	94.3	Very high	94	Very high	4 Å²	4	70 Å²	70	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-38.3	176.9	0	0	0	0	0	113.8	K403 F405 E409 V410 D411 D439 K440	K403-A407 WeakPolarHBondContact O-CB 3.49Å; K403-A407 PolarHBondContact O-N 3.2Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 3.26Å; A407-E409 VanDerWaalsContact C-N 3.26Å; A407-E409 PolarHBondContact O-N 2.91Å; A407-V410 PolarHBondContact O-N 3.35Å; A407-D411 WeakPolarHBondContact O-CB 3.47Å; A407-D411 PolarHBondContact O-N 3.46Å; A407-D439 HydrophobicContact CB-CB 3.94Å; A407-K440 HydrophobicContact CB-CB 3.94Å
408	M	93.6	Very high	93.9	Very high	113 Å²	113	70.5 Å²	70.5	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-65.1	-29.1	178.7	-79.4	175.9	-167.9	0	0	112.6	C404 F405 D406 A412	C404-M408 WeakPolarHBondContact O-CB 3.35Å; C404-M408 WeakPolarHBondContact O-CG 3.49Å; C404-M408 PolarHBondContact O-N 3.14Å; F405-M408 HydrophobicContact CD1-SD 4.08Å; F405-M408 PolarHBondContact O-N 3.46Å; D406-M408 PolarHBondContact O-N 3.49Å; M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.39Å
409	E	94.1	Very high	93.7	Very high	142 Å²	142	66.5 Å²	66.5	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-61.3	-49.4	177.6	-173.9	170.3	-170.1	0	0	111.1	F405 D406 A407	F405-E409 PolarHBondContact O-N 3.19Å; F405-E409 VanDerWaalsContact O-N 3.15Å; D406-E409 WeakPolarHBondContact O-CB 3.39Å; D406-E409 PolarHBondContact O-N 3.15Å; A407-E409 VanDerWaalsContact C-N 3.26Å; A407-E409 PolarHBondContact O-N 2.91Å
410	V	90.4	Very high	93.6	Very high	46 Å²	46	61.9 Å²	61.9	28%	0.279	34%	0.335	S	S	.	.	H	α-helix	trans	-73.4	-42.1	176.9	-177.2	0	0	0	0	110.9	A407 A412 L413	A407-V410 PolarHBondContact O-N 3.35Å; V410-A412 VanDerWaalsContact C-N 3.26Å; V410-A412 PolarHBondContact O-N 2.86Å; V410-L413 VanDerWaalsContact O-CB 3.31Å; V410-L413 WeakPolarHBondContact O-CB 3.42Å; V410-L413 PolarHBondContact O-N 3.44Å
411	D	91.3	Very high	93.3	Very high	56 Å²	56	62.7 Å²	62.7	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-70.8	-19	-174.4	-160.8	45.1	0	0	0	114.2	A407 L413 S416 K440	A407-D411 WeakPolarHBondContact O-CB 3.47Å; A407-D411 PolarHBondContact O-N 3.46Å; D411-L413 PolarHBondContact O-N 3.27Å; D411-S416 PolarHBondContact OD1-OG 3.38Å; D411-K440 IonicContact OD1-NZ 2.82Å; D411-K440 PolarHBondContact OD1-NZ 3.14Å; D411-K440 VanDerWaalsContact OD2-CE 3.31Å; D411-K440 WeakPolarHBondContact OD2-CE 3.14Å; D411-K440 IonicContact OD2-NZ 2.72Å; D411-K440 PolarHBondContact OD2-NZ 3.21Å
412	A	91.1	Very high	93.3	Very high	11 Å²	11	62.7 Å²	62.7	9%	0.091	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10	171.5	0	0	0	0	0	113.3	M408 V410 R523 H524	M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.39Å; V410-A412 VanDerWaalsContact C-N 3.26Å; V410-A412 PolarHBondContact O-N 2.86Å; A412-R523 WeakPolarHBondContact O-CA 3.47Å; A412-H524 PolarHBondContact O-N 3.02Å
413	L	87	Confident	93.2	Very high	79 Å²	79	62.5 Å²	62.5	41%	0.414	35%	0.348	S	S	.	.	S	Bend	trans	-88.4	147.1	178.7	-56	177.7	0	0	0	111.6	V410 D411 S415 S416 H524	V410-L413 VanDerWaalsContact O-CB 3.31Å; V410-L413 WeakPolarHBondContact O-CB 3.42Å; V410-L413 PolarHBondContact O-N 3.44Å; D411-L413 PolarHBondContact O-N 3.27Å; L413-S415 PolarHBondContact O-N 2.93Å; L413-S416 WeakPolarHBondContact O-CB 3.2Å; L413-S416 PolarHBondContact O-N 2.59Å; L413-S416 VanDerWaalsContact O-N 3.14Å; L413-H524 HydrophobicContact CD2-CB 4.49Å
414	N	86.6	Confident	93.1	Very high	116 Å²	116	63.7 Å²	63.7	62%	0.62	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	176.3	-170.4	69.5	0	0	0	113	R523	N414-R523 PolarHBondContact OD1-NH1 2.88Å
415	S	89.3	Confident	93	Very high	102 Å²	102	65 Å²	65	71%	0.713	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.7	174	51.1	0	0	0	0	113.9	L413	L413-S415 PolarHBondContact O-N 2.93Å
416	S	91.3	Very high	93	Very high	29 Å²	29	60.1 Å²	60.1	20%	0.203	34%	0.34	C	S	.	.			trans	-62.1	166	171	-177.7	0	0	0	0	111.4	D411 L413	D411-S416 PolarHBondContact OD1-OG 3.38Å; L413-S416 WeakPolarHBondContact O-CB 3.2Å; L413-S416 PolarHBondContact O-N 2.59Å; L413-S416 VanDerWaalsContact O-N 3.14Å
417	H	93.8	Very high	93	Very high	45 Å²	45	59 Å²	59	21%	0.208	34%	0.34	C	S	.	.			trans	-126.8	162.1	173.7	59.4	85.9	0	0	0	112.1	T421 D434	H417-T421 HydrophobicContact CB-CG2 4.2Å; H417-D434 IonicContact CD2-OD2 3.93Å; H417-D434 IonicContact CE1-OD1 3.62Å; H417-D434 IonicContact CE1-OD2 3.13Å; H417-D434 IonicContact NE2-OD1 3.99Å; H417-D434 IonicContact NE2-OD2 3.4Å; H417-D434 PolarHBondContact NE2-OD2 3.5Å
418	P	95.5	Very high	93.1	Very high	57 Å²	57	62.2 Å²	62.2	37%	0.37	36%	0.355	S	S	.	.			trans	-61.9	151.2	167.8	-16.9	31.1	0	0	0	111	S420	P418-S420 WeakPolarHBondContact CB-O 3.33Å; P418-S420 PolarHBondContact O-N 3.48Å
419	V	93.4	Very high	93.2	Very high	19 Å²	19	57 Å²	57	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-56.4	-34.3	179	174.8	0	0	0	0	112.3	W373 V436 K440	W373-V419 HydrophobicContact CB-CG1 3.5Å; W373-V419 VanDerWaalsContact CB-CG1 3.5Å; W373-V419 HydrophobicContact CD2-CG1 3.52Å; W373-V419 HydrophobicContact CE3-CG1 4.02Å; W373-V419 HydrophobicContact CG-CG1 3.25Å; V419-V436 HydrophobicContact CB-CG1 4.5Å; V419-V436 HydrophobicContact CG2-CG1 3.97Å; V419-K440 HydrophobicContact CG2-CB 4.45Å; V419-K440 HydrophobicContact CG2-CD 3.68Å; V419-K440 HydrophobicContact CG2-CG 3.89Å
420	S	94.4	Very high	93.4	Very high	41 Å²	41	56.5 Å²	56.5	29%	0.287	32%	0.321	S	S	.	.	S	Bend	trans	-111.4	119.7	167.2	168.7	0	0	0	0	109.7	N370 D371 P418 N475	N370-S420 VanDerWaalsContact O-CA 3.26Å; N370-S420 WeakPolarHBondContact O-CA 3.45Å; N370-S420 PolarHBondContact O-OG 3.46Å; D371-S420 WeakPolarHBondContact OD1-CB 3.38Å; D371-S420 PolarHBondContact OD1-OG 3.25Å; P418-S420 WeakPolarHBondContact CB-O 3.33Å; P418-S420 PolarHBondContact O-N 3.48Å; S420-N475 WeakPolarHBondContact CB-ND2 3.43Å
421	T	90.7	Very high	93.6	Very high	34 Å²	34	60.9 Å²	60.9	21%	0.209	34%	0.338	C	S	.	.			trans	-147.2	142.6	-177.2	-157.3	0	0	0	0	112.2	N370 H417 V423 M432	N370-T421 VanDerWaalsContact CA-O 3.23Å; N370-T421 WeakPolarHBondContact CA-O 3.38Å; N370-T421 WeakPolarHBondContact CB-O 3.48Å; N370-T421 PolarHBondContact O-N 2.98Å; H417-T421 HydrophobicContact CB-CG2 4.2Å; T421-V423 PolarHBondContact O-N 3.27Å; T421-M432 HydrophobicContact CG2-CE 4.01Å; T421-M432 HydrophobicContact CG2-SD 3.53Å; T421-M432 VanDerWaalsContact CG2-SD 3.53Å
422	P	96.7	Very high	93.8	Very high	120 Å²	120	58.3 Å²	58.3	78%	0.779	33%	0.325	S	S	*	.			trans	-64	131.9	-177.8	-21.2	33.3	0	0	0	112.8
423	V	96.1	Very high	94.1	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.115	33%	0.333	C	S	.	.			trans	-134.9	151	172.5	-65.8	0	0	0	0	109.7	W368 W369 T421 Q428 I429 M432	W368-V423 PolarHBondContact NE1-O 2.79Å; W369-V423 HydrophobicContact CB-CG2 3.82Å; T421-V423 PolarHBondContact O-N 3.27Å; V423-Q428 HydrophobicContact CB-CB 3.94Å; V423-Q428 HydrophobicContact CG1-CB 4.02Å; V423-I429 HydrophobicContact CB-CG1 4.29Å; V423-I429 HydrophobicContact CG2-CG1 3.88Å; V423-M432 HydrophobicContact CB-CG 4.48Å; V423-M432 HydrophobicContact CG1-CG 3.68Å; V423-M432 HydrophobicContact CG1-SD 3.67Å; V423-M432 HydrophobicContact CG2-CG 4.11Å
424	E	94.7	Very high	94.4	Very high	92 Å²	92	58.5 Å²	58.5	43%	0.43	32%	0.322	S	S	.	.			trans	-131.5	-55.9	-176.7	-167.4	179.3	-176.5	0	0	113	I52	I52-E424 HydrophobicContact CB-CG 3.9Å; I52-E424 HydrophobicContact CD1-CG 3.9Å; I52-E424 HydrophobicContact CG1-CG 4.4Å; I52-E424 HydrophobicContact CG2-CG 4.11Å
425	N	95.9	Very high	94.8	Very high	51 Å²	51	56.5 Å²	56.5	27%	0.273	31%	0.311	S	S	.	.	S	Bend	trans	-87	159.8	-175.8	70.8	63.5	0	0	0	112.4	I52 A427 Q428 I429	I52-N425 HydrophobicContact CD1-CB 4.07Å; N425-A427 PolarHBondContact O-N 3.17Å; N425-A427 VanDerWaalsContact O-N 3.1Å; N425-A427 WeakPolarHBondContact OD1-CB 3.38Å; N425-A427 PolarHBondContact OD1-N 2.91Å; N425-Q428 PolarHBondContact ND2-OE1 3.31Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.14Å; N425-Q428 PolarHBondContact O-N 3.23Å; N425-Q428 VanDerWaalsContact O-N 3.13Å; N425-Q428 PolarHBondContact OD1-N 2.97Å; N425-Q428 VanDerWaalsContact OD1-N 3.07Å; N425-I429 WeakPolarHBondContact O-CG1 3.26Å; N425-I429 PolarHBondContact O-N 3.41Å
426	P	96.2	Very high	95	Very high	21 Å²	21	51.7 Å²	51.7	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-29.6	-177.5	-30.5	37.6	0	0	0	115.8	R430	P426-R430 WeakPolarHBondContact O-CG 3.31Å; P426-R430 VanDerWaalsContact O-CZ 3.24Å; P426-R430 PolarHBondContact O-N 3.1Å; P426-R430 VanDerWaalsContact O-N 3.11Å; P426-R430 PolarHBondContact O-NH1 3.45Å
427	A	96.1	Very high	95.2	Very high	43 Å²	43	50.3 Å²	50.3	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-71.4	-47.4	177.7	0	0	0	0	0	111.2	N425 I429 R430 E431	N425-A427 PolarHBondContact O-N 3.17Å; N425-A427 VanDerWaalsContact O-N 3.1Å; N425-A427 WeakPolarHBondContact OD1-CB 3.38Å; N425-A427 PolarHBondContact OD1-N 2.91Å; A427-I429 VanDerWaalsContact C-N 3.29Å; A427-I429 PolarHBondContact O-N 2.9Å; A427-R430 PolarHBondContact O-N 3.27Å; A427-E431 WeakPolarHBondContact O-CG 3.34Å; A427-E431 PolarHBondContact O-N 3.17Å
428	Q	96.1	Very high	95.4	Very high	71 Å²	71	50.5 Å²	50.5	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-38.9	174.4	-68.7	170.9	-27	0	0	112	V423 N425 R430 E431 M432	V423-Q428 HydrophobicContact CB-CB 3.94Å; V423-Q428 HydrophobicContact CG1-CB 4.02Å; N425-Q428 PolarHBondContact ND2-OE1 3.31Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.14Å; N425-Q428 PolarHBondContact O-N 3.23Å; N425-Q428 VanDerWaalsContact O-N 3.13Å; N425-Q428 PolarHBondContact OD1-N 2.97Å; N425-Q428 VanDerWaalsContact OD1-N 3.07Å; Q428-R430 VanDerWaalsContact C-N 3.34Å; Q428-R430 PolarHBondContact O-N 3.16Å; Q428-E431 WeakPolarHBondContact O-CB 3.17Å; Q428-E431 PolarHBondContact O-N 2.91Å; Q428-M432 PolarHBondContact O-N 2.99Å
429	I	97.6	Very high	95.6	Very high	3 Å²	3	48 Å²	48	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-43.4	176.5	-67.2	164.1	0	0	0	110.5	P184 T185 W368 W369 V423 N425 A427 E431 M432 F433	P184-I429 HydrophobicContact CB-CG2 3.49Å; P184-I429 VanDerWaalsContact CB-CG2 3.49Å; P184-I429 HydrophobicContact CG-CG2 3.66Å; T185-I429 HydrophobicContact CG2-CD1 4Å; W368-I429 HydrophobicContact CH2-CD1 3.81Å; W368-I429 HydrophobicContact CZ2-CD1 3.73Å; W368-I429 HydrophobicContact CZ2-CG1 4.34Å; W369-I429 HydrophobicContact CB-CB 4.41Å; W369-I429 HydrophobicContact CB-CG1 4.06Å; W369-I429 HydrophobicContact CB-CG2 3.73Å; W369-I429 HydrophobicContact CD2-CG2 3.58Å; W369-I429 HydrophobicContact CE3-CG2 4.07Å; W369-I429 HydrophobicContact CG-CB 4.34Å; W369-I429 HydrophobicContact CG-CD1 4.27Å; W369-I429 HydrophobicContact CG-CG1 4.06Å; W369-I429 HydrophobicContact CG-CG2 3.38Å; V423-I429 HydrophobicContact CB-CG1 4.29Å; V423-I429 HydrophobicContact CG2-CG1 3.88Å; N425-I429 WeakPolarHBondContact O-CG1 3.26Å; N425-I429 PolarHBondContact O-N 3.41Å; A427-I429 VanDerWaalsContact C-N 3.29Å; A427-I429 PolarHBondContact O-N 2.9Å; I429-E431 VanDerWaalsContact C-N 3.28Å; I429-E431 PolarHBondContact O-N 3.47Å; I429-M432 WeakPolarHBondContact O-CB 3.35Å; I429-M432 PolarHBondContact O-N 3.02Å; I429-M432 VanDerWaalsContact O-N 3.15Å; I429-F433 WeakPolarHBondContact O-CD2 2.75Å
430	R	96.9	Very high	95.8	Very high	131 Å²	131	49.3 Å²	49.3	49%	0.494	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-31.5	175.7	-75.8	-175.6	-63.1	-90.9	2.5	113.1	P184 P426 A427 Q428 M432 F433	P184-R430 HydrophobicContact CG-CG 3.84Å; P426-R430 WeakPolarHBondContact O-CG 3.31Å; P426-R430 VanDerWaalsContact O-CZ 3.24Å; P426-R430 PolarHBondContact O-N 3.1Å; P426-R430 VanDerWaalsContact O-N 3.11Å; P426-R430 PolarHBondContact O-NH1 3.45Å; A427-R430 PolarHBondContact O-N 3.27Å; Q428-R430 VanDerWaalsContact C-N 3.34Å; Q428-R430 PolarHBondContact O-N 3.16Å; R430-M432 PolarHBondContact O-N 3.45Å; R430-F433 PolarHBondContact O-N 2.93Å; R430-F433 VanDerWaalsContact O-N 3.14Å
431	E	95.6	Very high	95.9	Very high	138 Å²	138	47.4 Å²	47.4	65%	0.645	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-18.7	175.3	-71.7	171.4	177	0	0	112.9	A427 Q428 I429 F433	A427-E431 WeakPolarHBondContact O-CG 3.34Å; A427-E431 PolarHBondContact O-N 3.17Å; Q428-E431 WeakPolarHBondContact O-CB 3.17Å; Q428-E431 PolarHBondContact O-N 2.91Å; I429-E431 VanDerWaalsContact C-N 3.28Å; I429-E431 PolarHBondContact O-N 3.47Å; E431-F433 PolarHBondContact O-N 3.49Å
432	M	95.8	Very high	96.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.6	173.5	-63.8	-62.9	-61.6	0	0	113.1	L372 T421 V423 Q428 I429 R430 D434 S437	L372-M432 HydrophobicContact CB-CB 4.38Å; L372-M432 HydrophobicContact CD2-CB 3.68Å; T421-M432 HydrophobicContact CG2-CE 4.01Å; T421-M432 HydrophobicContact CG2-SD 3.53Å; T421-M432 VanDerWaalsContact CG2-SD 3.53Å; V423-M432 HydrophobicContact CB-CG 4.48Å; V423-M432 HydrophobicContact CG1-CG 3.68Å; V423-M432 HydrophobicContact CG1-SD 3.67Å; V423-M432 HydrophobicContact CG2-CG 4.11Å; Q428-M432 PolarHBondContact O-N 2.99Å; I429-M432 WeakPolarHBondContact O-CB 3.35Å; I429-M432 PolarHBondContact O-N 3.02Å; I429-M432 VanDerWaalsContact O-N 3.15Å; R430-M432 PolarHBondContact O-N 3.45Å; M432-D434 PolarHBondContact O-N 3.39Å; M432-S437 WeakPolarHBondContact O-CB 3.24Å; M432-S437 PolarHBondContact O-OG 2.92Å
433	F	95.9	Very high	96.4	Very high	58 Å²	58	41 Å²	41	25%	0.254	20%	0.2	S	C	.	.	S	Bend	trans	-83.6	70	177.7	-66.7	-100	0	0	0	109.9	E183 P184 W369 L372 I429 R430 E431 Y438	E183-F433 HydrophobicContact CG-CE1 4.18Å; E183-F433 HydrophobicContact CG-CZ 3.77Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.35Å; P184-F433 HydrophobicContact CB-CE2 3.95Å; P184-F433 HydrophobicContact CB-CZ 4.16Å; P184-F433 HydrophobicContact CG-CE2 4.06Å; W369-F433 HydrophobicContact CE3-CE2 4.36Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.41Å; W369-F433 AromaticContact CZ3-CZ 3.86Å; W369-F433 HydrophobicContact CZ3-CZ 3.86Å; L372-F433 HydrophobicContact CD1-CE1 4.03Å; L372-F433 HydrophobicContact CD1-CZ 3.92Å; L372-F433 HydrophobicContact CD2-CD1 3.85Å; L372-F433 HydrophobicContact CD2-CD2 3.62Å; L372-F433 HydrophobicContact CD2-CE1 3.79Å; L372-F433 HydrophobicContact CD2-CE2 3.58Å; L372-F433 HydrophobicContact CD2-CG 3.76Å; L372-F433 HydrophobicContact CD2-CZ 3.66Å; L372-F433 HydrophobicContact CG-CZ 4.46Å; I429-F433 WeakPolarHBondContact O-CD2 2.75Å; R430-F433 PolarHBondContact O-N 2.93Å; R430-F433 VanDerWaalsContact O-N 3.14Å; E431-F433 PolarHBondContact O-N 3.49Å; F433-Y438 HydrophobicContact CB-CE2 4.27Å; F433-Y438 HydrophobicContact CD1-CE2 4.32Å
434	D	94.9	Very high	96.4	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	21%	0.208	C	C	.	.	S	Bend	trans	-138.7	173.6	-171.3	82.9	-32.4	0	0	0	113.1	H417 M432 V436 S437 Y438	H417-D434 IonicContact CD2-OD2 3.93Å; H417-D434 IonicContact CE1-OD1 3.62Å; H417-D434 IonicContact CE1-OD2 3.13Å; H417-D434 IonicContact NE2-OD1 3.99Å; H417-D434 IonicContact NE2-OD2 3.4Å; H417-D434 PolarHBondContact NE2-OD2 3.5Å; M432-D434 PolarHBondContact O-N 3.39Å; D434-V436 PolarHBondContact O-N 2.89Å; D434-V436 WeakPolarHBondContact OD1-CB 3.13Å; D434-V436 PolarHBondContact OD1-N 3.09Å; D434-V436 WeakPolarHBondContact OD2-CB 3.42Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.48Å; D434-V436 PolarHBondContact OD2-N 3.21Å; D434-S437 PolarHBondContact O-N 3.28Å; D434-S437 VanDerWaalsContact O-N 3.07Å; D434-S437 PolarHBondContact OD1-N 3.42Å; D434-Y438 VanDerWaalsContact O-CD2 3.27Å; D434-Y438 WeakPolarHBondContact O-CD2 3.41Å; D434-Y438 PolarHBondContact O-N 3.41Å; D434-Y438 VanDerWaalsContact O-N 3.08Å
435	D	94.1	Very high	96.6	Very high	74 Å²	74	38.2 Å²	38.2	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19	-177.8	-57.3	-22.6	0	0	0	113	D439 K440	D435-D439 WeakPolarHBondContact O-CA 3.43Å; D435-D439 WeakPolarHBondContact O-CB 3.42Å; D435-D439 PolarHBondContact O-N 3.11Å; D435-K440 PolarHBondContact O-N 3.07Å
436	V	94.3	Very high	96.7	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.186	C	C	.	.	I	π-helix	trans	-72.2	-48.4	173.5	177.2	0	0	0	0	111	V419 D434 K440 G441	V419-V436 HydrophobicContact CB-CG1 4.5Å; V419-V436 HydrophobicContact CG2-CG1 3.97Å; D434-V436 PolarHBondContact O-N 2.89Å; D434-V436 WeakPolarHBondContact OD1-CB 3.13Å; D434-V436 PolarHBondContact OD1-N 3.09Å; D434-V436 WeakPolarHBondContact OD2-CB 3.42Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.48Å; D434-V436 PolarHBondContact OD2-N 3.21Å; V436-K440 HydrophobicContact CG1-CD 4.23Å; V436-K440 WeakPolarHBondContact O-CB 3.45Å; V436-G441 PolarHBondContact O-N 2.76Å
437	S	95.3	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-68.8	-41.8	178.4	-66	0	0	0	0	112.4	G377 M432 D434	G377-S437 WeakPolarHBondContact CA-O 3.42Å; G377-S437 PolarHBondContact N-O 3.23Å; M432-S437 WeakPolarHBondContact O-CB 3.24Å; M432-S437 PolarHBondContact O-OG 2.92Å; D434-S437 PolarHBondContact O-N 3.28Å; D434-S437 VanDerWaalsContact O-N 3.07Å; D434-S437 PolarHBondContact OD1-N 3.42Å
438	Y	98.2	Very high	96.6	Very high	49 Å²	49	40.3 Å²	40.3	19%	0.192	19%	0.19	C	C	.	.	I	π-helix	trans	-78.7	-70.9	-177.7	-75.6	-97.4	0	0	0	112	H353 E376 F433 D434 A442	H353-Y438 AromaticContact CE1-CE1 3.88Å; H353-Y438 AromaticContact NE2-CE1 3.79Å; E376-Y438 HydrophobicContact CB-CD1 3.87Å; E376-Y438 HydrophobicContact CB-CD2 4.04Å; E376-Y438 HydrophobicContact CB-CE1 3.8Å; E376-Y438 HydrophobicContact CB-CE2 3.99Å; E376-Y438 HydrophobicContact CB-CG 3.99Å; E376-Y438 VanDerWaalsContact CD-CZ 3.5Å; E376-Y438 HydrophobicContact CG-CD1 4.48Å; E376-Y438 HydrophobicContact CG-CD2 4.32Å; E376-Y438 HydrophobicContact CG-CE1 3.95Å; E376-Y438 HydrophobicContact CG-CE2 3.78Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.41Å; E376-Y438 PolarHBondContact OE2-OH 2.88Å; F433-Y438 HydrophobicContact CB-CE2 4.27Å; F433-Y438 HydrophobicContact CD1-CE2 4.32Å; D434-Y438 VanDerWaalsContact O-CD2 3.27Å; D434-Y438 WeakPolarHBondContact O-CD2 3.41Å; D434-Y438 PolarHBondContact O-N 3.41Å; D434-Y438 VanDerWaalsContact O-N 3.08Å; Y438-A442 WeakPolarHBondContact O-CB 3.39Å; Y438-A442 PolarHBondContact O-N 2.92Å
439	D	98.1	Very high	96.6	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.032	19%	0.185	C	C	.	.	I	π-helix	trans	-79.1	-46	-165.1	-71.9	-18.7	0	0	0	111.4	K403 A407 D435 G441 A442 C443	K403-D439 HydrophobicContact CB-CB 4.15Å; K403-D439 IonicContact NZ-OD2 3.46Å; K403-D439 WeakPolarHBondContact O-CB 3.47Å; A407-D439 HydrophobicContact CB-CB 3.94Å; D435-D439 WeakPolarHBondContact O-CA 3.43Å; D435-D439 WeakPolarHBondContact O-CB 3.42Å; D435-D439 PolarHBondContact O-N 3.11Å; D439-G441 VanDerWaalsContact C-N 3.33Å; D439-G441 PolarHBondContact O-N 3.33Å; D439-A442 PolarHBondContact O-N 2.82Å; D439-C443 WeakPolarHBondContact O-CB 3.46Å; D439-C443 PolarHBondContact O-N 3.32Å; D439-C443 PolarHBondContact O-SG 3.37Å
440	K	97.9	Very high	96.5	Very high	46 Å²	46	43.8 Å²	43.8	20%	0.2	20%	0.203	C	C	.	.	I	π-helix	trans	-64.1	-40.6	174.2	-175.8	176.5	172.7	178.6	0	111.2	A407 D411 V419 D435 V436 A442 C443 I444	A407-K440 HydrophobicContact CB-CB 3.94Å; D411-K440 IonicContact OD1-NZ 2.82Å; D411-K440 PolarHBondContact OD1-NZ 3.14Å; D411-K440 VanDerWaalsContact OD2-CE 3.31Å; D411-K440 WeakPolarHBondContact OD2-CE 3.14Å; D411-K440 IonicContact OD2-NZ 2.72Å; D411-K440 PolarHBondContact OD2-NZ 3.21Å; V419-K440 HydrophobicContact CG2-CB 4.45Å; V419-K440 HydrophobicContact CG2-CD 3.68Å; V419-K440 HydrophobicContact CG2-CG 3.89Å; D435-K440 PolarHBondContact O-N 3.07Å; V436-K440 HydrophobicContact CG1-CD 4.23Å; V436-K440 WeakPolarHBondContact O-CB 3.45Å; K440-A442 PolarHBondContact O-N 3.19Å; K440-C443 PolarHBondContact O-N 3Å; K440-I444 HydrophobicContact CG-CG2 4.46Å; K440-I444 WeakPolarHBondContact O-CG1 3.19Å; K440-I444 WeakPolarHBondContact O-CG2 3.41Å; K440-I444 PolarHBondContact O-N 3.44Å
441	G	97.8	Very high	96.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-53.6	-50.6	172.9	0	0	0	0	0	112.1	V436 D439 C443 I444 L445	V436-G441 PolarHBondContact O-N 2.76Å; D439-G441 VanDerWaalsContact C-N 3.33Å; D439-G441 PolarHBondContact O-N 3.33Å; G441-C443 PolarHBondContact O-N 3.02Å; G441-I444 WeakPolarHBondContact O-CG1 3.32Å; G441-L445 WeakPolarHBondContact O-CG 3.33Å; G441-L445 PolarHBondContact O-N 3.21Å
442	A	98.5	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-41.6	177.2	0	0	0	0	0	113.1	G377 K380 F381 F400 Y438 D439 K440 I444 L445 N446	G377-A442 WeakPolarHBondContact O-CA 3.05Å; K380-A442 HydrophobicContact CB-CB 3.91Å; K380-A442 HydrophobicContact CG-CB 3.58Å; F381-A442 HydrophobicContact CB-CB 3.92Å; F400-A442 HydrophobicContact CE2-CB 4.21Å; F400-A442 HydrophobicContact CZ-CB 4.36Å; Y438-A442 WeakPolarHBondContact O-CB 3.39Å; Y438-A442 PolarHBondContact O-N 2.92Å; D439-A442 PolarHBondContact O-N 2.82Å; K440-A442 PolarHBondContact O-N 3.19Å; A442-I444 PolarHBondContact O-N 3.34Å; A442-L445 PolarHBondContact O-N 3.41Å; A442-N446 PolarHBondContact O-N 3.41Å
443	C	98.3	Very high	95.9	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-39.4	-179.5	-70.4	0	0	0	0	112.9	C404 D439 K440 G441 N446 M447	C404-C443 WeakPolarHBondContact CA-SG 3.33Å; C404-C443 HydrophobicContact CB-CB 3.99Å; C404-C443 WeakPolarHBondContact CB-SG 3.24Å; C404-C443 PolarHBondContact N-SG 3.26Å; C404-C443 WeakPolarHBondContact SG-CB 3.41Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.39Å; D439-C443 WeakPolarHBondContact O-CB 3.46Å; D439-C443 PolarHBondContact O-N 3.32Å; D439-C443 PolarHBondContact O-SG 3.37Å; K440-C443 PolarHBondContact O-N 3Å; G441-C443 PolarHBondContact O-N 3.02Å; C443-N446 PolarHBondContact O-N 3.13Å; C443-M447 WeakPolarHBondContact O-CB 3.42Å; C443-M447 PolarHBondContact O-N 3.09Å
444	I	97.3	Very high	95.8	Very high	53 Å²	53	37.8 Å²	37.8	27%	0.272	19%	0.19	S	C	.	.	H	α-helix	trans	-70.7	-32.5	175.5	65.1	173.8	0	0	0	112.1	W373 K440 G441 A442 M447 L448	W373-I444 HydrophobicContact CE3-CD1 4.42Å; W373-I444 HydrophobicContact CZ3-CD1 4.04Å; K440-I444 HydrophobicContact CG-CG2 4.46Å; K440-I444 WeakPolarHBondContact O-CG1 3.19Å; K440-I444 WeakPolarHBondContact O-CG2 3.41Å; K440-I444 PolarHBondContact O-N 3.44Å; G441-I444 WeakPolarHBondContact O-CG1 3.32Å; A442-I444 PolarHBondContact O-N 3.34Å; I444-M447 PolarHBondContact O-N 3.16Å; I444-L448 WeakPolarHBondContact O-CB 3.02Å; I444-L448 PolarHBondContact O-N 3.32Å
445	L	97.9	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-43.6	173	-71.6	172.2	0	0	0	111.5	W373 F378 F381 G441 A442 M447 L448 R449 F457	W373-L445 HydrophobicContact CZ3-CD2 4.22Å; W373-L445 HydrophobicContact CZ3-CG 4.31Å; F378-L445 HydrophobicContact CB-CD1 4.39Å; F378-L445 HydrophobicContact CD1-CD1 3.81Å; F378-L445 HydrophobicContact CD2-CD1 3.77Å; F378-L445 HydrophobicContact CE1-CD1 3.92Å; F378-L445 HydrophobicContact CE1-CD2 3.92Å; F378-L445 HydrophobicContact CE2-CD1 3.9Å; F378-L445 HydrophobicContact CE2-CD2 3.85Å; F378-L445 HydrophobicContact CG-CD1 3.74Å; F378-L445 HydrophobicContact CZ-CD1 3.96Å; F378-L445 HydrophobicContact CZ-CD2 3.47Å; F378-L445 VanDerWaalsContact CZ-CD2 3.47Å; F378-L445 HydrophobicContact CZ-CG 4.39Å; F381-L445 HydrophobicContact CB-CB 4.41Å; F381-L445 HydrophobicContact CB-CD1 4.15Å; F381-L445 HydrophobicContact CD1-CB 4.43Å; F381-L445 HydrophobicContact CD2-CB 4.26Å; F381-L445 HydrophobicContact CG-CB 4.08Å; F381-L445 HydrophobicContact CG-CD1 4.49Å; G441-L445 WeakPolarHBondContact O-CG 3.33Å; G441-L445 PolarHBondContact O-N 3.21Å; A442-L445 PolarHBondContact O-N 3.41Å; L445-M447 PolarHBondContact O-N 3.46Å; L445-L448 PolarHBondContact O-N 3.09Å; L445-R449 WeakPolarHBondContact O-CB 3.16Å; L445-R449 PolarHBondContact O-N 2.04Å; L445-F457 HydrophobicContact CB-CZ 4.32Å; L445-F457 HydrophobicContact CD2-CE2 4.32Å; L445-F457 HydrophobicContact CD2-CZ 4.23Å
446	N	98.3	Very high	95.8	Very high	46 Å²	46	39.2 Å²	39.2	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-45.1	174.2	-176	63.9	0	0	0	111.6	F381 F400 A442 C443 L448 R449 E450	F381-N446 HydrophobicContact CD2-CB 4.03Å; F381-N446 HydrophobicContact CE2-CB 3.74Å; F400-N446 HydrophobicContact CD1-CB 4.45Å; F400-N446 HydrophobicContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CG 3.49Å; F400-N446 WeakPolarHBondContact CE1-ND2 3Å; F400-N446 HydrophobicContact CZ-CB 3.51Å; A442-N446 PolarHBondContact O-N 3.41Å; C443-N446 PolarHBondContact O-N 3.13Å; N446-L448 VanDerWaalsContact C-N 3.29Å; N446-L448 PolarHBondContact O-N 2.99Å; N446-R449 PolarHBondContact O-N 3.31Å; N446-E450 WeakPolarHBondContact O-CG 3.49Å; N446-E450 PolarHBondContact O-N 3.38Å
447	M	96.3	Very high	95.9	Very high	90 Å²	90	39.2 Å²	39.2	44%	0.443	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-42.4	175.1	-179	-179.3	67.8	0	0	111.8	C443 I444 L445 E450 Y451 P540	C443-M447 WeakPolarHBondContact O-CB 3.42Å; C443-M447 PolarHBondContact O-N 3.09Å; I444-M447 PolarHBondContact O-N 3.16Å; L445-M447 PolarHBondContact O-N 3.46Å; M447-E450 PolarHBondContact O-N 3.48Å; M447-Y451 WeakPolarHBondContact O-CB 3.07Å; M447-Y451 PolarHBondContact O-N 3.29Å; M447-P540 HydrophobicContact CG-CG 3.57Å; M447-P540 HydrophobicContact SD-CG 3.93Å
448	L	93	Very high	96	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-42.6	177.2	-178.4	63.6	0	0	0	112.2	I444 L445 N446 E450 Y451 L452 F457 W479	I444-L448 WeakPolarHBondContact O-CB 3.02Å; I444-L448 PolarHBondContact O-N 3.32Å; L445-L448 PolarHBondContact O-N 3.09Å; N446-L448 VanDerWaalsContact C-N 3.29Å; N446-L448 PolarHBondContact O-N 2.99Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 2.99Å; L448-Y451 HydrophobicContact CD1-CD1 4.43Å; L448-Y451 WeakPolarHBondContact O-CB 3.4Å; L448-Y451 PolarHBondContact O-N 2.92Å; L448-Y451 VanDerWaalsContact O-N 3.16Å; L448-L452 HydrophobicContact CD1-CD1 3.74Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 3.86Å; L448-L452 HydrophobicContact CG-CG 4.27Å; L448-L452 PolarHBondContact O-N 3.5Å; L448-F457 HydrophobicContact CB-CE2 4.41Å; L448-F457 HydrophobicContact CD2-CD2 4.35Å; L448-F457 HydrophobicContact CD2-CE2 4.12Å; L448-F457 HydrophobicContact CG-CD2 4.22Å; L448-F457 HydrophobicContact CG-CE2 4.29Å; L448-W479 HydrophobicContact CD2-CE3 4.35Å; L448-W479 HydrophobicContact CD2-CH2 4.22Å; L448-W479 HydrophobicContact CD2-CZ3 3.46Å; L448-W479 VanDerWaalsContact CD2-CZ3 3.46Å
449	R	96.4	Very high	95.9	Very high	61 Å²	61	42.5 Å²	42.5	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-45.6	174.6	177.3	178.9	173.9	-94.5	9.7	111.6	F381 L445 N446 Y451 L452 S453 A454 F457	F381-R449 HydrophobicContact CZ-CB 4.47Å; L445-R449 WeakPolarHBondContact O-CB 3.16Å; L445-R449 PolarHBondContact O-N 2.04Å; N446-R449 PolarHBondContact O-N 3.31Å; R449-Y451 VanDerWaalsContact C-N 3.27Å; R449-Y451 PolarHBondContact O-N 3.25Å; R449-L452 PolarHBondContact O-N 3.17Å; R449-S453 CarbonylContact O-C 3.19Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.15Å; R449-S453 PolarHBondContact O-N 3.3Å; R449-A454 HydrophobicContact CG-CB 4.47Å; R449-F457 HydrophobicContact CB-CB 4.2Å; R449-F457 HydrophobicContact CB-CD1 3.86Å; R449-F457 HydrophobicContact CB-CD2 3.97Å; R449-F457 HydrophobicContact CB-CE1 4.14Å; R449-F457 HydrophobicContact CB-CE2 4.28Å; R449-F457 HydrophobicContact CB-CG 3.75Å; R449-F457 HydrophobicContact CB-CZ 4.36Å; R449-F457 HydrophobicContact CG-CB 4.11Å; R449-F457 HydrophobicContact CG-CD1 3.9Å; R449-F457 HydrophobicContact CG-CE1 4.48Å; R449-F457 HydrophobicContact CG-CG 4.01Å
450	E	94.9	Very high	95.8	Very high	86 Å²	86	42.2 Å²	42.2	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-30.1	177.7	-68.2	-51.9	126.6	0	0	112.4	N446 M447 L448 R542	N446-E450 WeakPolarHBondContact O-CG 3.49Å; N446-E450 PolarHBondContact O-N 3.38Å; M447-E450 PolarHBondContact O-N 3.48Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 2.99Å; E450-R542 PolarHBondContact O-NH2 3.49Å
451	Y	91.9	Very high	95.8	Very high	99 Å²	99	40 Å²	40	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-72.5	-48.9	174.3	177.6	-110.3	0	0	0	112.8	M447 L448 R449 P540	M447-Y451 WeakPolarHBondContact O-CB 3.07Å; M447-Y451 PolarHBondContact O-N 3.29Å; L448-Y451 HydrophobicContact CD1-CD1 4.43Å; L448-Y451 WeakPolarHBondContact O-CB 3.4Å; L448-Y451 PolarHBondContact O-N 2.92Å; L448-Y451 VanDerWaalsContact O-N 3.16Å; R449-Y451 VanDerWaalsContact C-N 3.27Å; R449-Y451 PolarHBondContact O-N 3.25Å; Y451-P540 HydrophobicContact CD2-CB 3.34Å; Y451-P540 HydrophobicContact CD2-CG 4.45Å; Y451-P540 HydrophobicContact CE2-CB 4.09Å; Y451-P540 HydrophobicContact CG-CB 3.82Å
452	L	89.4	Confident	95.8	Very high	17 Å²	17	41 Å²	41	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-80.5	-16	-176	-65.6	-179.7	0	0	0	113.9	L448 R449 A456 M494	L448-L452 HydrophobicContact CD1-CD1 3.74Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 3.86Å; L448-L452 HydrophobicContact CG-CG 4.27Å; L448-L452 PolarHBondContact O-N 3.5Å; R449-L452 PolarHBondContact O-N 3.17Å; L452-A456 HydrophobicContact CB-CB 4.32Å; L452-A456 VanDerWaalsContact O-CB 3.32Å; L452-A456 WeakPolarHBondContact O-CB 3.49Å; L452-M494 HydrophobicContact CD2-CE 4.36Å
453	S	95.2	Very high	95.8	Very high	53 Å²	53	44.2 Å²	44.2	37%	0.371	23%	0.232	S	C	.	.			trans	78.5	152	-158.7	81.4	0	0	0	0	113.7	R449 D455 F457	R449-S453 CarbonylContact O-C 3.19Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.15Å; R449-S453 PolarHBondContact O-N 3.3Å; S453-D455 VanDerWaalsContact C-N 3.32Å; S453-D455 PolarHBondContact O-N 3.46Å; S453-F457 VanDerWaalsContact O-CB 3.29Å; S453-F457 WeakPolarHBondContact O-CB 3.42Å; S453-F457 PolarHBondContact O-N 3.19Å
454	A	94.1	Very high	95.8	Very high	34 Å²	34	43.4 Å²	43.4	28%	0.281	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-39.9	-178.6	0	0	0	0	0	113.1	R449 K458	R449-A454 HydrophobicContact CG-CB 4.47Å; A454-K458 WeakPolarHBondContact O-CB 3.25Å; A454-K458 PolarHBondContact O-N 3.24Å
455	D	95	Very high	95.8	Very high	125 Å²	125	40.9 Å²	40.9	67%	0.668	21%	0.213	S	C	*	.	H	α-helix	trans	-72.6	-42.7	-176.2	-67.3	-28	0	0	0	112.5	S453 K458 S459	S453-D455 VanDerWaalsContact C-N 3.32Å; S453-D455 PolarHBondContact O-N 3.46Å; D455-K458 PolarHBondContact O-N 3.05Å; D455-S459 WeakPolarHBondContact O-CB 3.48Å; D455-S459 PolarHBondContact O-N 3.37Å; D455-S459 PolarHBondContact O-OG 2.99Å
456	A	94.1	Very high	95.9	Very high	15 Å²	15	46.1 Å²	46.1	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-44	175.9	0	0	0	0	0	110.9	L452 S459 G460 I485	L452-A456 HydrophobicContact CB-CB 4.32Å; L452-A456 VanDerWaalsContact O-CB 3.32Å; L452-A456 WeakPolarHBondContact O-CB 3.49Å; A456-S459 PolarHBondContact O-N 3.11Å; A456-G460 PolarHBondContact O-N 3.18Å; A456-I485 HydrophobicContact CB-CG2 4.23Å
457	F	96.3	Very high	95.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-45.8	176.3	-179.2	-95.6	0	0	0	112.1	F381 L445 L448 R449 S453 S459 G460 I461 M482	F381-F457 HydrophobicContact CD1-CE1 4.45Å; F381-F457 AromaticContact CE1-CE1 3.59Å; F381-F457 HydrophobicContact CE1-CE1 3.59Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.05Å; F381-F457 HydrophobicContact CZ-CZ 4.48Å; L445-F457 HydrophobicContact CB-CZ 4.32Å; L445-F457 HydrophobicContact CD2-CE2 4.32Å; L445-F457 HydrophobicContact CD2-CZ 4.23Å; L448-F457 HydrophobicContact CB-CE2 4.41Å; L448-F457 HydrophobicContact CD2-CD2 4.35Å; L448-F457 HydrophobicContact CD2-CE2 4.12Å; L448-F457 HydrophobicContact CG-CD2 4.22Å; L448-F457 HydrophobicContact CG-CE2 4.29Å; R449-F457 HydrophobicContact CB-CB 4.2Å; R449-F457 HydrophobicContact CB-CD1 3.86Å; R449-F457 HydrophobicContact CB-CD2 3.97Å; R449-F457 HydrophobicContact CB-CE1 4.14Å; R449-F457 HydrophobicContact CB-CE2 4.28Å; R449-F457 HydrophobicContact CB-CG 3.75Å; R449-F457 HydrophobicContact CB-CZ 4.36Å; R449-F457 HydrophobicContact CG-CB 4.11Å; R449-F457 HydrophobicContact CG-CD1 3.9Å; R449-F457 HydrophobicContact CG-CE1 4.48Å; R449-F457 HydrophobicContact CG-CG 4.01Å; S453-F457 VanDerWaalsContact O-CB 3.29Å; S453-F457 WeakPolarHBondContact O-CB 3.42Å; S453-F457 PolarHBondContact O-N 3.19Å; F457-S459 VanDerWaalsContact C-N 3.34Å; F457-S459 PolarHBondContact O-N 3.01Å; F457-G460 PolarHBondContact O-N 2.72Å; F457-I461 HydrophobicContact CD1-CD1 3.73Å; F457-I461 HydrophobicContact CD1-CG1 4.46Å; F457-I461 HydrophobicContact CE1-CD1 3.16Å; F457-I461 HydrophobicContact CE1-CG1 4.14Å; F457-I461 HydrophobicContact CZ-CD1 3.64Å; F457-I461 HydrophobicContact CZ-CG1 4.38Å; F457-I461 PolarHBondContact O-N 2.82Å; F457-M482 HydrophobicContact CD2-CE 3.79Å; F457-M482 HydrophobicContact CD2-SD 4.1Å; F457-M482 HydrophobicContact CE2-CE 3.6Å; F457-M482 HydrophobicContact CE2-SD 4.45Å; F457-M482 HydrophobicContact CG-CE 4.48Å; F457-M482 HydrophobicContact CZ-CE 4.17Å
458	K	97.6	Very high	96	Very high	62 Å²	62	45.3 Å²	45.3	27%	0.27	23%	0.23	S	C	.	.	H	α-helix	trans	-58.6	-45.6	175.2	-178.2	-176.9	-178.6	-175.6	0	111.4	Y296 A454 D455 G460 I461 V462	Y296-K458 HydrophobicContact CD2-CD 4.36Å; Y296-K458 HydrophobicContact CE1-CD 4.29Å; Y296-K458 HydrophobicContact CE1-CG 3.99Å; Y296-K458 HydrophobicContact CE2-CD 3.89Å; Y296-K458 HydrophobicContact CE2-CG 4.43Å; Y296-K458 WeakPolarHBondContact O-CE 3.39Å; Y296-K458 PolarHBondContact O-NZ 3.23Å; A454-K458 WeakPolarHBondContact O-CB 3.25Å; A454-K458 PolarHBondContact O-N 3.24Å; D455-K458 PolarHBondContact O-N 3.05Å; K458-G460 VanDerWaalsContact C-N 3.3Å; K458-G460 PolarHBondContact O-N 3.17Å; K458-I461 PolarHBondContact O-N 3.46Å; K458-V462 HydrophobicContact CG-CG2 4.43Å; K458-V462 VanDerWaalsContact O-CG2 3.31Å; K458-V462 WeakPolarHBondContact O-CG2 3.16Å; K458-V462 PolarHBondContact O-N 2.94Å
459	S	96.2	Very high	96.3	Very high	57 Å²	57	45.6 Å²	45.6	40%	0.399	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-41.5	178.1	-58.2	0	0	0	0	111.7	D455 A456 F457 V462 Q463	D455-S459 WeakPolarHBondContact O-CB 3.48Å; D455-S459 PolarHBondContact O-N 3.37Å; D455-S459 PolarHBondContact O-OG 2.99Å; A456-S459 PolarHBondContact O-N 3.11Å; F457-S459 VanDerWaalsContact C-N 3.34Å; F457-S459 PolarHBondContact O-N 3.01Å; S459-V462 PolarHBondContact O-N 3.32Å; S459-Q463 WeakPolarHBondContact O-CB 3.42Å; S459-Q463 PolarHBondContact O-N 2.95Å
460	G	96.1	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-41.5	177.1	0	0	0	0	0	112.5	A456 F457 K458 Q463 Y464	A456-G460 PolarHBondContact O-N 3.18Å; F457-G460 PolarHBondContact O-N 2.72Å; K458-G460 VanDerWaalsContact C-N 3.3Å; K458-G460 PolarHBondContact O-N 3.17Å; G460-Q463 PolarHBondContact O-N 2.94Å; G460-Y464 WeakPolarHBondContact O-CB 3.31Å; G460-Y464 PolarHBondContact O-N 3.31Å
461	I	97.4	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-49.1	173.1	-76.8	177.9	0	0	0	111.8	F297 F360 F378 F457 K458 Q463 Y464 L465 M482	F297-I461 HydrophobicContact CD1-CG2 3.95Å; F297-I461 HydrophobicContact CE1-CG2 3.87Å; F360-I461 HydrophobicContact CE1-CG2 4.34Å; F360-I461 HydrophobicContact CE2-CG2 4.29Å; F360-I461 HydrophobicContact CZ-CD1 4.23Å; F360-I461 HydrophobicContact CZ-CG1 4.33Å; F360-I461 HydrophobicContact CZ-CG2 3.49Å; F360-I461 VanDerWaalsContact CZ-CG2 3.49Å; F378-I461 HydrophobicContact CD1-CD1 4.41Å; F378-I461 HydrophobicContact CE1-CD1 3.77Å; F378-I461 HydrophobicContact CE1-CG1 3.99Å; F457-I461 HydrophobicContact CD1-CD1 3.73Å; F457-I461 HydrophobicContact CD1-CG1 4.46Å; F457-I461 HydrophobicContact CE1-CD1 3.16Å; F457-I461 HydrophobicContact CE1-CG1 4.14Å; F457-I461 HydrophobicContact CZ-CD1 3.64Å; F457-I461 HydrophobicContact CZ-CG1 4.38Å; F457-I461 PolarHBondContact O-N 2.82Å; K458-I461 PolarHBondContact O-N 3.46Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; I461-Q463 PolarHBondContact O-N 3.24Å; I461-Y464 WeakPolarHBondContact O-CB 3.44Å; I461-Y464 PolarHBondContact O-N 3.45Å; I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CG 3.19Å; I461-L465 PolarHBondContact O-N 3.5Å; I461-M482 HydrophobicContact CD1-CE 4.45Å; I461-M482 HydrophobicContact CG1-CE 3.6Å
462	V	98	Very high	96.9	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.127	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-44.2	-178	171.6	0	0	0	0	110	F297 K458 S459 Y464 L465 Q466	F297-V462 WeakPolarHBondContact O-CG1 3.13Å; F297-V462 WeakPolarHBondContact O-CG2 3.21Å; K458-V462 HydrophobicContact CG-CG2 4.43Å; K458-V462 VanDerWaalsContact O-CG2 3.31Å; K458-V462 WeakPolarHBondContact O-CG2 3.16Å; K458-V462 PolarHBondContact O-N 2.94Å; S459-V462 PolarHBondContact O-N 3.32Å; V462-Y464 PolarHBondContact O-N 3.26Å; V462-L465 PolarHBondContact O-N 3.01Å; V462-Q466 HydrophobicContact CG1-CG 4.33Å; V462-Q466 WeakPolarHBondContact O-CB 3.31Å; V462-Q466 VanDerWaalsContact O-CG 3.24Å; V462-Q466 WeakPolarHBondContact O-CG 3.46Å; V462-Q466 PolarHBondContact O-N 2.87Å
463	Q	97.5	Very high	97.3	Very high	66 Å²	66	44.5 Å²	44.5	31%	0.308	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-42.2	176.1	-174.6	-180	-5.1	0	0	112.6	S459 G460 I461 Q466 K467 S484	S459-Q463 WeakPolarHBondContact O-CB 3.42Å; S459-Q463 PolarHBondContact O-N 2.95Å; G460-Q463 PolarHBondContact O-N 2.94Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; I461-Q463 PolarHBondContact O-N 3.24Å; Q463-Q466 PolarHBondContact O-N 2.88Å; Q463-K467 WeakPolarHBondContact O-CB 3.29Å; Q463-K467 PolarHBondContact O-N 3.33Å; Q463-S484 PolarHBondContact NE2-OG 3.39Å; Q463-S484 PolarHBondContact OE1-OG 2.94Å
464	Y	98.4	Very high	97.4	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-52.1	174.6	169.1	-100.9	0	0	0	111.2	F360 V364 G460 I461 V462 Q466 K467 H468 T473 D477 L478	F360-Y464 HydrophobicContact CD1-CE1 4.37Å; F360-Y464 HydrophobicContact CE1-CD1 4.25Å; F360-Y464 HydrophobicContact CE1-CE1 4.16Å; V364-Y464 HydrophobicContact CB-CE1 4.43Å; V364-Y464 HydrophobicContact CG1-CE1 3.88Å; G460-Y464 WeakPolarHBondContact O-CB 3.31Å; G460-Y464 PolarHBondContact O-N 3.31Å; I461-Y464 WeakPolarHBondContact O-CB 3.44Å; I461-Y464 PolarHBondContact O-N 3.45Å; V462-Y464 PolarHBondContact O-N 3.26Å; Y464-Q466 PolarHBondContact O-N 2.99Å; Y464-K467 PolarHBondContact O-N 3.41Å; Y464-H468 AromaticContact CD2-CD2 3.96Å; Y464-H468 WeakPolarHBondContact O-CB 3.19Å; Y464-H468 PolarHBondContact O-CD2 2.87Å; Y464-H468 VanDerWaalsContact O-CD2 3.28Å; Y464-H468 PolarHBondContact O-N 3.48Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Y464-T473 HydrophobicContact CE2-CG2 3.6Å; Y464-T473 WeakPolarHBondContact OH-CB 3.37Å; Y464-T473 PolarHBondContact OH-OG1 3.02Å; Y464-D477 HydrophobicContact CE2-CB 4.44Å; Y464-L478 HydrophobicContact CD1-CD1 4.44Å; Y464-L478 HydrophobicContact CD2-CB 4.32Å; Y464-L478 HydrophobicContact CD2-CD1 4.14Å; Y464-L478 HydrophobicContact CE2-CB 4.03Å; Y464-L478 HydrophobicContact CE2-CD1 4.33Å; Y464-L478 HydrophobicContact CG-CD1 4.18Å
465	L	98.7	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-44.6	-179.9	-70	173.7	0	0	0	111.8	F297 I299 W359 F360 V364 I461 V462 S469	F297-L465 HydrophobicContact CB-CD1 4.28Å; F297-L465 HydrophobicContact CD1-CD1 3.76Å; F297-L465 HydrophobicContact CD2-CD1 4.41Å; F297-L465 HydrophobicContact CE1-CD1 4.18Å; F297-L465 HydrophobicContact CG-CD1 3.9Å; I299-L465 HydrophobicContact CD1-CB 3.47Å; I299-L465 VanDerWaalsContact CD1-CB 3.47Å; I299-L465 HydrophobicContact CD1-CD1 4.27Å; W359-L465 HydrophobicContact CB-CD1 4.07Å; W359-L465 HydrophobicContact CB-CD2 4.12Å; W359-L465 HydrophobicContact CG-CD1 4.43Å; F360-L465 HydrophobicContact CD1-CD2 4.01Å; F360-L465 HydrophobicContact CE1-CD1 4.42Å; F360-L465 HydrophobicContact CE1-CD2 3.9Å; F360-L465 HydrophobicContact CE1-CG 4.25Å; F360-L465 HydrophobicContact CE2-CD1 4.26Å; F360-L465 HydrophobicContact CG-CD2 4.49Å; F360-L465 HydrophobicContact CZ-CD1 4.04Å; F360-L465 HydrophobicContact CZ-CD2 4.32Å; F360-L465 HydrophobicContact CZ-CG 4.33Å; V364-L465 HydrophobicContact CB-CD2 4.22Å; V364-L465 HydrophobicContact CG2-CD2 3.81Å; I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CG 3.19Å; I461-L465 PolarHBondContact O-N 3.5Å; V462-L465 PolarHBondContact O-N 3.01Å; L465-S469 WeakPolarHBondContact O-CB 3.47Å; L465-S469 PolarHBondContact O-N 3.24Å; L465-S469 PolarHBondContact O-OG 2.76Å
466	Q	98.4	Very high	97.2	Very high	110 Å²	110	46.9 Å²	46.9	51%	0.514	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-46.8	178.6	-73.1	173.7	-10.8	0	0	112.3	I299 V462 Q463 Y464 H468	I299-Q466 HydrophobicContact CD1-CG 3.84Å; I299-Q466 HydrophobicContact CG1-CG 4.06Å; V462-Q466 HydrophobicContact CG1-CG 4.33Å; V462-Q466 WeakPolarHBondContact O-CB 3.31Å; V462-Q466 VanDerWaalsContact O-CG 3.24Å; V462-Q466 WeakPolarHBondContact O-CG 3.46Å; V462-Q466 PolarHBondContact O-N 2.87Å; Q463-Q466 PolarHBondContact O-N 2.88Å; Y464-Q466 PolarHBondContact O-N 2.99Å; Q466-H468 VanDerWaalsContact C-N 3.31Å; Q466-H468 PolarHBondContact O-N 2.98Å
467	K	98.5	Very high	97.2	Very high	104 Å²	104	48.1 Å²	48.1	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-35.7	-177.3	-179.8	-178.7	167.7	-152.2	0	112.3	Q463 Y464	Q463-K467 WeakPolarHBondContact O-CB 3.29Å; Q463-K467 PolarHBondContact O-N 3.33Å; Y464-K467 PolarHBondContact O-N 3.41Å
468	H	98.8	Very high	97.1	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-108.4	9	-171.8	-61.8	-85.3	0	0	0	114.1	V364 Y464 Q466 Y470 K471 T473 D477	V364-H468 HydrophobicContact CG1-CB 3.83Å; V364-H468 HydrophobicContact CG2-CB 4.13Å; Y464-H468 AromaticContact CD2-CD2 3.96Å; Y464-H468 WeakPolarHBondContact O-CB 3.19Å; Y464-H468 PolarHBondContact O-CD2 2.87Å; Y464-H468 VanDerWaalsContact O-CD2 3.28Å; Y464-H468 PolarHBondContact O-N 3.48Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Q466-H468 VanDerWaalsContact C-N 3.31Å; Q466-H468 PolarHBondContact O-N 2.98Å; H468-Y470 PolarHBondContact O-N 3.32Å; H468-K471 WeakPolarHBondContact O-CB 3.46Å; H468-K471 PolarHBondContact O-N 3.41Å; H468-T473 HydrophobicContact CB-CG2 3.52Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.47Å; H468-D477 IonicContact CE1-OD1 2.7Å; H468-D477 PolarHBondContact CE1-OD1 3.49Å
469	S	98.8	Very high	96.8	Very high	29 Å²	29	49.5 Å²	49.5	20%	0.203	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	131.6	177.1	-76.1	0	0	0	0	112.9	L465 K471	L465-S469 WeakPolarHBondContact O-CB 3.47Å; L465-S469 PolarHBondContact O-N 3.24Å; L465-S469 PolarHBondContact O-OG 2.76Å; S469-K471 PolarHBondContact O-N 3.2Å
470	Y	98.8	Very high	96.7	Very high	84 Å²	84	51.7 Å²	51.7	33%	0.329	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.6	-176.6	-50	-75.4	0	0	0	115	V240 P302 W322 L363 H468	V240-Y470 HydrophobicContact CB-CD1 4.2Å; V240-Y470 HydrophobicContact CB-CE1 3.73Å; V240-Y470 HydrophobicContact CG1-CE1 4.06Å; V240-Y470 HydrophobicContact CG2-CD1 4.35Å; V240-Y470 HydrophobicContact CG2-CE1 3.89Å; P302-Y470 WeakPolarHBondContact CB-OH 3.24Å; W322-Y470 HydrophobicContact CH2-CD1 4.04Å; W322-Y470 AromaticContact CH2-CE1 3.78Å; W322-Y470 HydrophobicContact CH2-CE1 3.78Å; W322-Y470 HydrophobicContact CZ2-CE1 4.46Å; L363-Y470 HydrophobicContact CD1-CD1 4.02Å; L363-Y470 HydrophobicContact CD1-CD2 4.15Å; L363-Y470 HydrophobicContact CD1-CE1 3.78Å; L363-Y470 HydrophobicContact CD1-CE2 3.92Å; L363-Y470 HydrophobicContact CD1-CG 4.21Å; L363-Y470 WeakPolarHBondContact O-CA 3.31Å; L363-Y470 PolarHBondContact O-N 3.4Å; H468-Y470 PolarHBondContact O-N 3.32Å
471	K	98.7	Very high	96.5	Very high	126 Å²	126	51.7 Å²	51.7	55%	0.548	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-169.5	177.9	-59.2	176.5	-176.3	170.6	0	109.9	K200 T365 H468 S469	K200-K471 WeakPolarHBondContact CE-O 3.48Å; K200-K471 PolarHBondContact NZ-O 3.16Å; T365-K471 PolarHBondContact N-O 3.46Å; H468-K471 WeakPolarHBondContact O-CB 3.46Å; H468-K471 PolarHBondContact O-N 3.41Å; S469-K471 PolarHBondContact O-N 3.2Å
472	N	98.8	Very high	96.1	Very high	30 Å²	30	52 Å²	52	16%	0.16	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	162.7	176.6	-57.4	72.4	0	0	0	111.7	P197 T365 M366 E367	P197-N472 PolarHBondContact O-ND2 3.02Å; T365-N472 CarbonylContact O-C 3.56Å; T365-N472 WeakPolarHBondContact O-CA 3.42Å; T365-N472 WeakPolarHBondContact O-CB 3.4Å; M366-N472 PolarHBondContact O-ND2 3.24Å; E367-N472 HydrophobicContact CB-CB 4.08Å; E367-N472 HydrophobicContact CG-CB 4.41Å
473	T	98.3	Very high	95.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.3	-177.5	47.5	0	0	0	0	113	V364 T365 M366 E367 Y464 H468 D477	V364-T473 HydrophobicContact CG1-CG2 3.62Å; T365-T473 PolarHBondContact O-N 2.75Å; M366-T473 CarbonylContact C-O 3.53Å; M366-T473 WeakPolarHBondContact CA-O 3.12Å; E367-T473 PolarHBondContact N-O 3.42Å; Y464-T473 HydrophobicContact CE2-CG2 3.6Å; Y464-T473 WeakPolarHBondContact OH-CB 3.37Å; Y464-T473 PolarHBondContact OH-OG1 3.02Å; H468-T473 HydrophobicContact CB-CG2 3.52Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.47Å; T473-D477 WeakPolarHBondContact CA-OD2 3.37Å; T473-D477 HydrophobicContact CG2-CB 3.95Å
474	K	96.4	Very high	95	Very high	86 Å²	86	52.1 Å²	52.1	37%	0.374	25%	0.253	S	S	.	.			trans	-110.2	170.9	167.7	-62.1	175.1	-174.6	-178.2	0	109.7	E367 D371 E476 D477	E367-K474 HydrophobicContact CB-CG 4.25Å; E367-K474 WeakPolarHBondContact OE1-CE 3.43Å; E367-K474 IonicContact OE1-NZ 2.88Å; E367-K474 PolarHBondContact OE1-NZ 2.64Å; E367-K474 WeakPolarHBondContact OE2-CE 3.23Å; E367-K474 IonicContact OE2-NZ 3.69Å; E367-K474 PolarHBondContact OE2-NZ 3.28Å; D371-K474 WeakPolarHBondContact OD2-CA 3.29Å; K474-E476 PolarHBondContact O-N 2.95Å; K474-E476 VanDerWaalsContact O-N 3.13Å; K474-D477 PolarHBondContact N-OD2 2.85Å; K474-D477 WeakPolarHBondContact O-CB 3.41Å; K474-D477 PolarHBondContact O-N 3.5Å; K474-D477 VanDerWaalsContact O-N 3.09Å
475	N	90.3	Very high	94.3	Very high	32 Å²	32	54 Å²	54	17%	0.171	26%	0.263	C	S	.	.	H	α-helix	trans	-49.3	-39.6	172.9	-82.5	19.3	0	0	0	114.3	D371 W373 S420 D477 L478 W479	D371-N475 PolarHBondContact OD1-OD1 3.47Å; D371-N475 VanDerWaalsContact OD1-OD1 3.04Å; D371-N475 PolarHBondContact OD2-N 2.81Å; D371-N475 VanDerWaalsContact OD2-N 3.14Å; D371-N475 PolarHBondContact OD2-OD1 2.9Å; W373-N475 PolarHBondContact NE1-ND2 3.24Å; W373-N475 PolarHBondContact NE1-OD1 3.23Å; S420-N475 WeakPolarHBondContact CB-ND2 3.43Å; N475-D477 VanDerWaalsContact C-N 3.35Å; N475-D477 PolarHBondContact O-N 3.2Å; N475-L478 PolarHBondContact O-N 2.94Å; N475-W479 PolarHBondContact O-N 3.37Å
476	E	94.4	Very high	92.3	Very high	144 Å²	144	57.3 Å²	57.3	67%	0.673	29%	0.286	S	S	*	.	H	α-helix	trans	-63.8	-37.4	-178.4	-65.8	174.2	-177.8	0	0	112.5	K474 L478 W479 D480	K474-E476 PolarHBondContact O-N 2.95Å; K474-E476 VanDerWaalsContact O-N 3.13Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 3.48Å; E476-W479 PolarHBondContact O-N 3.42Å; E476-D480 WeakPolarHBondContact O-CB 3.32Å; E476-D480 PolarHBondContact O-N 3Å
477	D	95.9	Very high	90.2	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-35.8	-178.7	-67	-60.3	0	0	0	112.6	Y464 H468 T473 K474 N475 S481	Y464-D477 HydrophobicContact CE2-CB 4.44Å; H468-D477 IonicContact CE1-OD1 2.7Å; H468-D477 PolarHBondContact CE1-OD1 3.49Å; T473-D477 WeakPolarHBondContact CA-OD2 3.37Å; T473-D477 HydrophobicContact CG2-CB 3.95Å; K474-D477 PolarHBondContact N-OD2 2.85Å; K474-D477 WeakPolarHBondContact O-CB 3.41Å; K474-D477 PolarHBondContact O-N 3.5Å; K474-D477 VanDerWaalsContact O-N 3.09Å; N475-D477 VanDerWaalsContact C-N 3.35Å; N475-D477 PolarHBondContact O-N 3.2Å; D477-S481 PolarHBondContact O-N 3.48Å; D477-S481 PolarHBondContact O-OG 2.9Å
478	L	93.9	Very high	87.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-49.1	174.8	174.9	66.3	0	0	0	110.7	W373 L374 F378 Y464 N475 E476 D480 S481 M482	W373-L478 HydrophobicContact CH2-CD2 3.68Å; W373-L478 HydrophobicContact CZ2-CD2 4.26Å; W373-L478 HydrophobicContact CZ3-CD2 4.43Å; L374-L478 HydrophobicContact CD2-CB 4.27Å; L374-L478 HydrophobicContact CD2-CD2 3.85Å; F378-L478 HydrophobicContact CE2-CD1 4Å; F378-L478 HydrophobicContact CE2-CD2 3.63Å; F378-L478 HydrophobicContact CE2-CG 4.45Å; F378-L478 HydrophobicContact CZ-CD1 3.6Å; F378-L478 HydrophobicContact CZ-CD2 3.84Å; F378-L478 HydrophobicContact CZ-CG 4.37Å; Y464-L478 HydrophobicContact CD1-CD1 4.44Å; Y464-L478 HydrophobicContact CD2-CB 4.32Å; Y464-L478 HydrophobicContact CD2-CD1 4.14Å; Y464-L478 HydrophobicContact CE2-CB 4.03Å; Y464-L478 HydrophobicContact CE2-CD1 4.33Å; Y464-L478 HydrophobicContact CG-CD1 4.18Å; N475-L478 PolarHBondContact O-N 2.94Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 3.48Å; L478-D480 VanDerWaalsContact C-N 3.35Å; L478-D480 PolarHBondContact O-N 2.96Å; L478-S481 PolarHBondContact O-N 2.81Å; L478-M482 HydrophobicContact CD1-CE 3.93Å; L478-M482 HydrophobicContact CD1-CG 4.35Å; L478-M482 WeakPolarHBondContact O-CG 3.48Å; L478-M482 PolarHBondContact O-N 2.92Å
479	W	91.3	Very high	84.9	Confident	91 Å²	91	61.9 Å²	61.9	35%	0.345	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-39.4	-178.4	-59.7	134.7	0	0	0	112.4	W373 L448 N475 E476 S481 M482 A483 F497	W373-W479 AromaticContact CH2-CH2 3.97Å; W373-W479 HydrophobicContact CH2-CH2 3.97Å; W373-W479 AromaticContact CH2-CZ2 3.81Å; W373-W479 HydrophobicContact CH2-CZ2 3.81Å; W373-W479 HydrophobicContact CZ2-CZ2 4.26Å; L448-W479 HydrophobicContact CD2-CE3 4.35Å; L448-W479 HydrophobicContact CD2-CH2 4.22Å; L448-W479 HydrophobicContact CD2-CZ3 3.46Å; L448-W479 VanDerWaalsContact CD2-CZ3 3.46Å; N475-W479 PolarHBondContact O-N 3.37Å; E476-W479 PolarHBondContact O-N 3.42Å; W479-S481 VanDerWaalsContact C-N 3.29Å; W479-S481 PolarHBondContact O-N 3.37Å; W479-M482 PolarHBondContact O-N 3.36Å; W479-A483 VanDerWaalsContact O-CB 3.29Å; W479-A483 WeakPolarHBondContact O-CB 3.24Å; W479-A483 PolarHBondContact O-N 2.86Å; W479-F497 HydrophobicContact CE3-CZ 4.49Å
480	D	93	Very high	82.2	Confident	102 Å²	102	64.5 Å²	64.5	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-40.5	173.9	-80.6	-5.7	0	0	0	111.9	E476 L478 S484	E476-D480 WeakPolarHBondContact O-CB 3.32Å; E476-D480 PolarHBondContact O-N 3Å; L478-D480 VanDerWaalsContact C-N 3.35Å; L478-D480 PolarHBondContact O-N 2.96Å; D480-S484 WeakPolarHBondContact O-CB 3.48Å; D480-S484 PolarHBondContact O-N 2.78Å; D480-S484 VanDerWaalsContact O-N 3.16Å
481	S	91.9	Very high	79.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	37%	0.372	C	S	.	.	H	α-helix	trans	-67.3	-45.5	178.1	-57.6	0	0	0	0	111.2	D477 L478 W479 A483 S484	D477-S481 PolarHBondContact O-N 3.48Å; D477-S481 PolarHBondContact O-OG 2.9Å; L478-S481 PolarHBondContact O-N 2.81Å; W479-S481 VanDerWaalsContact C-N 3.29Å; W479-S481 PolarHBondContact O-N 3.37Å; S481-A483 PolarHBondContact O-N 2.78Å; S481-S484 PolarHBondContact O-N 3.34Å; S481-S484 PolarHBondContact O-OG 3.06Å
482	M	89.2	Confident	76.8	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-42.3	176.4	-67.8	-67.8	-176.3	0	0	112.4	F457 I461 L478 W479 S484 I485 F497	F457-M482 HydrophobicContact CD2-CE 3.79Å; F457-M482 HydrophobicContact CD2-SD 4.1Å; F457-M482 HydrophobicContact CE2-CE 3.6Å; F457-M482 HydrophobicContact CE2-SD 4.45Å; F457-M482 HydrophobicContact CG-CE 4.48Å; F457-M482 HydrophobicContact CZ-CE 4.17Å; I461-M482 HydrophobicContact CD1-CE 4.45Å; I461-M482 HydrophobicContact CG1-CE 3.6Å; L478-M482 HydrophobicContact CD1-CE 3.93Å; L478-M482 HydrophobicContact CD1-CG 4.35Å; L478-M482 WeakPolarHBondContact O-CG 3.48Å; L478-M482 PolarHBondContact O-N 2.92Å; W479-M482 PolarHBondContact O-N 3.36Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.4Å; M482-I485 PolarHBondContact O-N 3.41Å; M482-F497 HydrophobicContact CB-CE1 4.22Å
483	A	86.2	Confident	74.1	Confident	30 Å²	30	70.4 Å²	70.4	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-69.9	-23	-179.3	0	0	0	0	0	113.4	W479 S481 I485 F497	W479-A483 VanDerWaalsContact O-CB 3.29Å; W479-A483 WeakPolarHBondContact O-CB 3.24Å; W479-A483 PolarHBondContact O-N 2.86Å; S481-A483 PolarHBondContact O-N 2.78Å; A483-I485 PolarHBondContact O-N 3.03Å; A483-F497 HydrophobicContact CB-CD1 3.8Å; A483-F497 HydrophobicContact CB-CE1 3.73Å
484	S	86.3	Confident	71.7	Confident	60 Å²	60	71.7 Å²	71.7	42%	0.42	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.7	178.7	72.3	0	0	0	0	114	Q463 D480 S481 M482 C486	Q463-S484 PolarHBondContact NE2-OG 3.39Å; Q463-S484 PolarHBondContact OE1-OG 2.94Å; D480-S484 WeakPolarHBondContact O-CB 3.48Å; D480-S484 PolarHBondContact O-N 2.78Å; D480-S484 VanDerWaalsContact O-N 3.16Å; S481-S484 PolarHBondContact O-N 3.34Å; S481-S484 PolarHBondContact O-OG 3.06Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.4Å; S484-C486 PolarHBondContact O-N 3.38Å
485	I	83.6	Confident	69.1	Low	41 Å²	41	74.2 Å²	74.2	21%	0.21	43%	0.431	C	S	.	.			trans	-89.5	89.4	172.1	-54	-59.3	0	0	0	109	A456 M482 A483 P487	A456-I485 HydrophobicContact CB-CG2 4.23Å; M482-I485 PolarHBondContact O-N 3.41Å; A483-I485 PolarHBondContact O-N 3.03Å; I485-P487 WeakPolarHBondContact O-CD 3.05Å
486	C	57.8	Low	67	Low	71 Å²	71	76.2 Å²	76.2	48%	0.48	46%	0.458	S	S	.	.			trans	-82.7	120.6	167.4	-69.7	0	0	0	0	109.2	S484 T488 C498	S484-C486 PolarHBondContact O-N 3.38Å; C486-T488 PolarHBondContact O-N 3.16Å; C486-C498 VanDerWaalsContact SG-SG 3.65Å
487	P	53.6	Low	64.4	Low	56 Å²	56	73 Å²	73	36%	0.364	44%	0.443	S	S	.	.			trans	-64.5	125	168.7	22.3	-25.6	0	0	0	108.8	I485 D489 M494	I485-P487 WeakPolarHBondContact O-CD 3.05Å; P487-D489 PolarHBondContact O-N 2.75Å; P487-M494 HydrophobicContact CG-CE 3.44Å; P487-M494 VanDerWaalsContact CG-CE 3.44Å; P487-M494 HydrophobicContact CG-SD 3.33Å; P487-M494 WeakPolarHBondContact CG-SD 3.49Å
488	T	44.2	Very low	62	Low	132 Å²	132	73.3 Å²	73.3	81%	0.81	45%	0.447	S	S	*	.			trans	-74.9	-7.5	-178.5	39.3	0	0	0	0	113.8	C486	C486-T488 PolarHBondContact O-N 3.16Å
489	D	40.7	Very low	59.5	Low	137 Å²	137	77.3 Å²	77.3	73%	0.733	48%	0.475	S	S	*	.	S	Bend	trans	-128.2	112.8	-172.4	-68.6	-49.5	0	0	0	113.8	P487 V491	P487-D489 PolarHBondContact O-N 2.75Å; D489-V491 PolarHBondContact O-N 3.47Å; D489-V491 VanDerWaalsContact O-N 3.08Å
490	G	43.4	Very low	57	Low	85 Å²	85	84.6 Å²	84.6	88%	0.876	50%	0.503	S	S	*	.			trans	79.3	-10.6	141	0	0	0	0	0	120.5	K492	G490-K492 PolarHBondContact O-N 3.46Å; G490-K492 VanDerWaalsContact O-N 3.13Å
491	V	43.8	Very low	54.1	Low	99 Å²	99	85 Å²	85	60%	0.6	51%	0.513	S	S	*	.			trans	-86.2	89.7	-178.9	-171.4	0	0	0	0	111.2	D489 G493 M494	D489-V491 PolarHBondContact O-N 3.47Å; D489-V491 VanDerWaalsContact O-N 3.08Å; V491-G493 PolarHBondContact O-N 3.48Å; V491-M494 HydrophobicContact CB-SD 4.48Å
492	K	39.8	Very low	51.1	Low	216 Å²	216	94.1 Å²	94.1	94%	0.939	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	100.6	162.3	-81.1	-176.9	175.3	179.3	0	108.7	G490	G490-K492 PolarHBondContact O-N 3.46Å; G490-K492 VanDerWaalsContact O-N 3.13Å
493	G	42.5	Very low	48.4	Very low	48 Å²	48	102.7 Å²	102.7	50%	0.495	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	161.6	-5.2	178	0	0	0	0	0	116.3	V491 D495	V491-G493 PolarHBondContact O-N 3.48Å; G493-D495 PolarHBondContact O-N 2.86Å
494	M	46.7	Very low	45.5	Very low	29 Å²	29	106.6 Å²	106.6	14%	0.143	62%	0.621	C	S	.	*			trans	-93.7	28.2	-177.4	-72.7	172.8	67.2	0	0	114.5	L452 P487 V491 G496 F497	L452-M494 HydrophobicContact CD2-CE 4.36Å; P487-M494 HydrophobicContact CG-CE 3.44Å; P487-M494 VanDerWaalsContact CG-CE 3.44Å; P487-M494 HydrophobicContact CG-SD 3.33Å; P487-M494 WeakPolarHBondContact CG-SD 3.49Å; V491-M494 HydrophobicContact CB-SD 4.48Å; M494-G496 PolarHBondContact O-N 3.27Å; M494-F497 PolarHBondContact O-N 3.43Å
495	D	42.5	Very low	43.1	Very low	139 Å²	139	109.3 Å²	109.3	74%	0.743	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-16.5	-175.2	-71.8	-21.9	0	0	0	114	G493 S499	G493-D495 PolarHBondContact O-N 2.86Å; D495-S499 PolarHBondContact O-OG 3.04Å
496	G	45.4	Very low	40.3	Very low	73 Å²	73	112.9 Å²	112.9	75%	0.753	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-23.2	-177.2	0	0	0	0	0	116.7	M494	M494-G496 PolarHBondContact O-N 3.27Å
497	F	41	Very low	39	Very low	78 Å²	78	115.1 Å²	115.1	34%	0.342	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111	-25.1	-172.1	-136.9	-97	0	0	0	113.2	W479 M482 A483 M494	W479-F497 HydrophobicContact CE3-CZ 4.49Å; M482-F497 HydrophobicContact CB-CE1 4.22Å; A483-F497 HydrophobicContact CB-CD1 3.8Å; A483-F497 HydrophobicContact CB-CE1 3.73Å; M494-F497 PolarHBondContact O-N 3.43Å
498	C	45.1	Very low	37.7	Very low	46 Å²	46	117.9 Å²	117.9	31%	0.311	71%	0.706	S	S	.	*	S	Bend	trans	-110.1	5	-174.1	-65.9	0	0	0	0	114.7	C486	C486-C498 VanDerWaalsContact SG-SG 3.65Å
499	S	42.5	Very low	37	Very low	85 Å²	85	117.8 Å²	117.8	59%	0.594	70%	0.704	S	S	*	*			trans	-97.8	106.2	-174.3	60.4	0	0	0	0	112.6	D495	D495-S499 PolarHBondContact O-OG 3.04Å
500	R	38.5	Very low	36.3	Very low	244 Å²	244	116.8 Å²	116.8	92%	0.921	71%	0.706	S	S	*	*			trans	-109.9	72.1	168.6	-147	-174	-164.1	-177.4	6.5	110.4
501	S	31.1	Very low	36	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	71%	0.705	S	S	*	*	S	Bend	trans	164	131.5	147.1	57.3	0	0	0	0	115.2
502	Q	29.6	Very low	35.2	Very low	193 Å²	193	119 Å²	119	90%	0.902	71%	0.711	S	S	*	*			trans	59.3	126	142.9	-63.6	-169.8	-4.3	0	0	122.7
503	H	31.5	Very low	34.6	Very low	186 Å²	186	114.8 Å²	114.8	86%	0.861	71%	0.707	S	S	*	*			trans	-4.5	137	164.4	-67.9	-32.6	0	0	0	120.9
504	S	26	Very low	33.7	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	72%	0.718	S	S	*	*				164.9	152.7	90.6	52.5	0	0	0	0	111.4
505	S	36.2	Very low	32.8	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	74%	0.743	S	S	*	*			trans	-48.7	133.8	174.2	50.6	0	0	0	0	114.4
506	S	24.6	Very low	32.2	Very low	116 Å²	116	121.6 Å²	121.6	81%	0.811	74%	0.74	S	S	*	*			trans	-156.8	130.2	134.1	62	0	0	0	0	111.6
507	S	30.7	Very low	31.8	Very low	119 Å²	119	121.6 Å²	121.6	83%	0.832	72%	0.721	S	S	*	*			trans	-75.9	132.6	172.2	44.2	0	0	0	0	111
508	S	25.4	Very low	31.5	Very low	114 Å²	114	125.4 Å²	125.4	80%	0.797	74%	0.74	S	S	*	*			trans	-150.2	126.1	149.8	54.2	0	0	0	0	109.8
509	V	30	Very low	31.6	Very low	129 Å²	129	127.8 Å²	127.8	78%	0.782	75%	0.747	S	S	*	*			trans	-96.6	131.2	178.3	173.6	0	0	0	0	107.9	V511	V509-V511 HydrophobicContact CG1-CG2 3.99Å
510	P	25.5	Very low	31.6	Very low	117 Å²	117	131.7 Å²	131.7	76%	0.76	76%	0.755	S	S	*	*			trans	-110.5	129.4	138.3	6.9	12.8	0	0	0	108.6	A512	P510-A512 PolarHBondContact O-N 2.71Å
511	V	36.9	Very low	32.6	Very low	142 Å²	142	124.4 Å²	124.4	86%	0.861	73%	0.732	S	S	*	*			trans	-67.1	113.4	174.9	176.5	0	0	0	0	108.5	V509	V509-V511 HydrophobicContact CG1-CG2 3.99Å
512	A	28.1	Very low	34.4	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	73%	0.729	S	S	*	*			trans	-130.5	146.7	162.2	0	0	0	0	0	107.4	P510 S514	P510-A512 PolarHBondContact O-N 2.71Å; A512-S514 PolarHBondContact O-N 3.15Å
513	C	26.6	Very low	36.1	Very low	129 Å²	129	121.1 Å²	121.1	87%	0.872	70%	0.703	S	S	*	*			trans	-29.5	115.7	-172.4	-69.6	0	0	0	0	113.9	I515	C513-I515 PolarHBondContact O-N 2.82Å
514	S	24.6	Very low	37.4	Very low	102 Å²	102	119.1 Å²	119.1	71%	0.713	69%	0.694	S	S	*	*			trans	-67.5	103.5	177.8	-150.3	0	0	0	0	108.9	A512 D516	A512-S514 PolarHBondContact O-N 3.15Å; S514-D516 PolarHBondContact O-N 3.08Å; S514-D516 PolarHBondContact OG-OD1 3.02Å
515	I	27.6	Very low	38.7	Very low	132 Å²	132	116.6 Å²	116.6	68%	0.677	69%	0.686	S	S	*	*			trans	-85	97.9	159.2	-59.9	177.1	0	0	0	105.3	C513 I517	C513-I515 PolarHBondContact O-N 2.82Å; I515-I517 HydrophobicContact CG2-CD1 4.32Å; I515-I517 HydrophobicContact CG2-CG1 3.8Å; I515-I517 PolarHBondContact O-N 3.34Å
516	D	30	Very low	39	Very low	125 Å²	125	117.3 Å²	117.3	67%	0.668	69%	0.687	S	S	*	*			trans	-72.5	109.7	173.7	-72.2	-13.9	0	0	0	109.1	S514	S514-D516 PolarHBondContact O-N 3.08Å; S514-D516 PolarHBondContact OG-OD1 3.02Å
517	I	35.6	Very low	39.8	Very low	72 Å²	72	117.6 Å²	117.6	37%	0.369	69%	0.689	S	S	.	*			trans	-100.8	108.3	179.8	-56.9	172.5	0	0	0	109.1	I515 H519	I515-I517 HydrophobicContact CG2-CD1 4.32Å; I515-I517 HydrophobicContact CG2-CG1 3.8Å; I515-I517 PolarHBondContact O-N 3.34Å; I517-H519 VanDerWaalsContact CG2-CE1 3.42Å; I517-H519 WeakPolarHBondContact CG2-CE1 3.06Å
518	H	36	Very low	39.8	Very low	159 Å²	159	119.1 Å²	119.1	74%	0.736	69%	0.687	S	S	*	*			trans	-98.1	128.8	169.6	-68.3	-62.3	0	0	0	110.7
519	H	47.7	Very low	40.3	Very low	96 Å²	96	123.6 Å²	123.6	44%	0.444	69%	0.692	S	S	.	*			trans	-98.5	128	171.3	-62.8	95.4	0	0	0	109.5	I517 P539	I517-H519 VanDerWaalsContact CG2-CE1 3.42Å; I517-H519 WeakPolarHBondContact CG2-CE1 3.06Å; H519-P539 WeakPolarHBondContact NE2-CG 3.33Å
520	Q	40.5	Very low	40.3	Very low	166 Å²	166	121 Å²	121	78%	0.776	68%	0.684	S	S	*	*			trans	-132.9	147.6	172.9	-66.4	-173.6	8.2	0	0	109.2	I522	Q520-I522 PolarHBondContact O-N 3.07Å
521	Q	60.3	Low	40.8	Very low	92 Å²	92	124.6 Å²	124.6	43%	0.43	69%	0.688	S	S	.	*			trans	-71.4	123	173.1	-171.3	-177.2	4	0	0	109.4	R523	Q521-R523 HydrophobicContact CG-CG 4.33Å
522	I	68.4	Low	40.9	Very low	139 Å²	139	123.8 Å²	123.8	71%	0.713	68%	0.679	S	S	*	*			trans	-76.6	132.9	173.6	-57.8	176.5	0	0	0	108.5	Q520	Q520-I522 PolarHBondContact O-N 3.07Å
523	R	65.5	Low	41.6	Very low	94 Å²	94	125.5 Å²	125.5	36%	0.355	67%	0.67	S	S	.	*			trans	-142.3	137.8	174.6	-62.6	-171	-172.7	-157.1	7.3	110.6	A412 N414 Q521 N532	A412-R523 WeakPolarHBondContact O-CA 3.47Å; N414-R523 PolarHBondContact OD1-NH1 2.88Å; Q521-R523 HydrophobicContact CG-CG 4.33Å; R523-N532 PolarHBondContact NH2-O 3.26Å
524	H	60.1	Low	42.1	Very low	143 Å²	143	127.6 Å²	127.6	66%	0.662	67%	0.673	S	S	*	*			trans	-80.8	124.9	170.8	-81.9	-61.6	0	0	0	111.4	A412 L413	A412-H524 PolarHBondContact O-N 3.02Å; L413-H524 HydrophobicContact CD2-CB 4.49Å
525	G	53.4	Low	43.1	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	67%	0.667	S	S	*	*	S	Bend	trans	168.3	158.9	175.8	0	0	0	0	0	113.3	S527	G525-S527 PolarHBondContact O-N 3.44Å
526	P	41	Very low	43.8	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	68%	0.675	S	S	*	*	S	Bend	trans	-64.3	128.2	178.7	26.3	-31.1	0	0	0	109.3	I528	P526-I528 PolarHBondContact O-N 3.2Å
527	S	42.5	Very low	45	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	67%	0.67	S	S	*	*			trans	-44.6	103.8	-178.9	48.4	0	0	0	0	113.1	G525	G525-S527 PolarHBondContact O-N 3.44Å
528	I	31	Very low	46.2	Very low	151 Å²	151	132.9 Å²	132.9	77%	0.774	70%	0.695	S	S	*	*			trans	-132.3	120.6	148.4	-58.2	-179.6	0	0	0	105.4	P526 A530	P526-I528 PolarHBondContact O-N 3.2Å; I528-A530 VanDerWaalsContact C-N 3.33Å; I528-A530 PolarHBondContact O-N 3.46Å
529	F	34.6	Very low	47	Very low	208 Å²	208	127.9 Å²	127.9	91%	0.912	68%	0.676	S	S	*	*			trans	-48.3	94.6	171.5	-90.1	-98.7	0	0	0	110.5
530	A	30.7	Very low	47	Very low	75 Å²	75	125.7 Å²	125.7	62%	0.62	67%	0.67	S	S	*	*			trans	-120.6	89.6	166.3	0	0	0	0	0	107.4	I528 N532	I528-A530 VanDerWaalsContact C-N 3.33Å; I528-A530 PolarHBondContact O-N 3.46Å; A530-N532 PolarHBondContact O-N 3.13Å
531	K	36.3	Very low	47.4	Very low	192 Å²	192	125.3 Å²	125.3	84%	0.835	66%	0.662	S	S	*	*			trans	-63	78.3	161.2	-78.9	-177.4	174.7	179.4	0	108.3
532	N	38.8	Very low	46.5	Very low	126 Å²	126	130 Å²	130	67%	0.674	68%	0.676	S	S	*	*			trans	-133.5	74	178.1	-91.2	-16.7	0	0	0	110.6	R523 A530	R523-N532 PolarHBondContact NH2-O 3.26Å; A530-N532 PolarHBondContact O-N 3.13Å
533	K	42.1	Very low	45.1	Very low	122 Å²	122	127.6 Å²	127.6	53%	0.53	69%	0.685	S	S	.	*			trans	167.5	111.9	139.9	-90.6	175.7	-169	175.3	0	107	R535	K533-R535 PolarHBondContact O-N 2.98Å
534	N	38	Very low	43.6	Very low	173 Å²	173	126.3 Å²	126.3	93%	0.925	70%	0.702	S	S	*	*			trans	-71	92.9	170.3	-78.8	-9.4	0	0	0	108.5
535	R	45.3	Very low	42.3	Very low	158 Å²	158	128.6 Å²	128.6	60%	0.596	72%	0.715	S	S	*	*			trans	-120.3	119.1	166.9	-72.3	-171.2	-177.9	-166.4	0.5	108.4	K533	K533-R535 PolarHBondContact O-N 2.98Å
536	C	42.9	Very low	41.3	Very low	124 Å²	124	133.4 Å²	133.4	84%	0.838	73%	0.726	S	S	*	*			trans	-103.2	138.6	172.2	-64.2	0	0	0	0	108.6
537	A	54.5	Low	40.7	Very low	69 Å²	69	136.1 Å²	136.1	57%	0.57	73%	0.728	S	S	*	*			trans	-116.1	159.3	169.4	0	0	0	0	0	108.9	P539	A537-P539 VanDerWaalsContact C-CD 3.42Å; A537-P539 WeakPolarHBondContact O-CD 3.46Å
538	H	61.4	Low	40.1	Very low	192 Å²	192	142.1 Å²	142.1	89%	0.889	75%	0.748	S	S	*	*			trans	-102.3	82.1	171.3	-70.1	-73.9	0	0	0	109.4	P540	H538-P540 WeakPolarHBondContact O-CD 3.42Å
539	P	52.6	Low	40.6	Very low	54 Å²	54	141.7 Å²	141.7	35%	0.351	75%	0.746	S	S	.	*			trans	-70.3	127.8	176.9	26.3	-30.3	0	0	0	109.6	H519 A537 R541	H519-P539 WeakPolarHBondContact NE2-CG 3.33Å; A537-P539 VanDerWaalsContact C-CD 3.42Å; A537-P539 WeakPolarHBondContact O-CD 3.46Å; P539-R541 PolarHBondContact O-N 3.21Å; P539-R541 VanDerWaalsContact O-N 3.15Å
540	P	46.5	Very low	40.9	Very low	49 Å²	49	138.2 Å²	138.2	32%	0.318	74%	0.738	S	S	.	*			trans	-68.5	113.4	173.7	27.7	-31.5	0	0	0	109	M447 Y451 H538	M447-P540 HydrophobicContact CG-CG 3.57Å; M447-P540 HydrophobicContact SD-CG 3.93Å; Y451-P540 HydrophobicContact CD2-CB 3.34Å; Y451-P540 HydrophobicContact CD2-CG 4.45Å; Y451-P540 HydrophobicContact CE2-CB 4.09Å; Y451-P540 HydrophobicContact CG-CB 3.82Å; H538-P540 WeakPolarHBondContact O-CD 3.42Å
541	R	50.3	Low	41.5	Very low	159 Å²	159	141.7 Å²	141.7	60%	0.6	74%	0.744	S	S	*	*			trans	-107.1	116.9	167.7	-66.4	-170.5	-175.8	-158.3	-1	108.1	P539 G543	P539-R541 PolarHBondContact O-N 3.21Å; P539-R541 VanDerWaalsContact O-N 3.15Å; R541-G543 PolarHBondContact O-N 2.89Å
542	R	40.8	Very low	41.8	Very low	190 Å²	190	138.7 Å²	138.7	72%	0.717	74%	0.739	S	S	*	*			trans	-71.7	112.4	164.1	-75.5	-171.6	-175.8	-168.8	4.5	107.5	E450 G544	E450-R542 PolarHBondContact O-NH2 3.49Å; R542-G544 PolarHBondContact O-N 3.22Å
543	G	37.9	Very low	42	Very low	88 Å²	88	139.5 Å²	139.5	91%	0.907	74%	0.743	S	S	*	*			trans	-66.7	101	167.1	0	0	0	0	0	108.4	R541	R541-G543 PolarHBondContact O-N 2.89Å
544	G	34.7	Very low	42	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	76%	0.757	S	S	*	*			trans	-163.8	53.3	-173.6	0	0	0	0	0	111.6	R542	R542-G544 PolarHBondContact O-N 3.22Å
545	M	33.1	Very low	42.2	Very low	190 Å²	190	138.4 Å²	138.4	94%	0.936	75%	0.745	S	S	*	*			trans	-133.9	82	155.7	-90.8	-172.8	179.6	0	0	107
546	D	31.9	Very low	42	Very low	160 Å²	160	136.8 Å²	136.8	86%	0.856	76%	0.756	S	S	*	*			trans	-124	109.7	153.8	-86.1	-36.4	0	0	0	106.9
547	Q	29.3	Very low	41.9	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	75%	0.75	S	S	*	*			trans	63.4	105.8	161.5	-55	-170	-2.3	0	0	119.4
548	I	30.2	Very low	40.8	Very low	248 Å²	248	144.2 Å²	144.2	100%	1.272	77%	0.766	S	S	*	*				-136.4	0	108.6	-60.1	-171.7	0	0	0	108

Retrieved 548 of 548 residues in 156 ms (Link to these results)

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