A0A087XB75_POEFO Loading...

Cathepsin F

Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Has also been implicated in tumor invasion and metastasis.

AlphaFold DB , UniProt , Accession A0A087XB75, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	27.8	Very low	238 Å²	238	152.2 Å²	152.2	100%	1.172	82%	0.818	S	S	*	*				0	117.5	0	-68.7	152.6	167.9	0	0	106.1
2	R	25	Very low	27.4	Very low	241 Å²	241	152 Å²	152	91%	0.909	82%	0.815	S	S	*	*				51.9	122.3	72.2	-87	-160.1	-178.7	-168.5	2.9	111.5
3	V	26.5	Very low	27.1	Very low	138 Å²	138	148.5 Å²	148.5	84%	0.836	81%	0.807	S	S	*	*			cis	-153.4	157.1	-7.4	174.2	0	0	0	0	105.9
4	G	26.4	Very low	26.9	Very low	60 Å²	60	149.4 Å²	149.4	62%	0.619	81%	0.81	S	S	*	*			cis	-156.5	-169.3	6.8	0	0	0	0	0	111
5	V	26.6	Very low	27	Very low	126 Å²	126	145 Å²	145	76%	0.764	80%	0.802	S	S	*	*			cis	76.4	100.1	16.4	-174.6	0	0	0	0	110.9
6	R	27	Very low	27	Very low	226 Å²	226	146.3 Å²	146.3	85%	0.853	81%	0.806	S	S	*	*				-172.9	178.2	50.3	-103.6	159.4	-171.3	-175.9	0.6	108.1
7	C	25.1	Very low	27	Very low	113 Å²	113	145 Å²	145	76%	0.764	80%	0.803	S	S	*	*			cis	-157.1	161.3	5.5	-130.3	0	0	0	0	111.1
8	C	27	Very low	27	Very low	110 Å²	110	143 Å²	143	74%	0.743	80%	0.801	S	S	*	*			trans	-74.1	173.9	159.5	-120.3	0	0	0	0	110.6
9	P	34.9	Very low	27.2	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	80%	0.8	S	S	*	*			cis	-150.6	-167.1	47.8	42.8	-20.3	0	0	0	117.7
10	L	26.9	Very low	27.2	Very low	147 Å²	147	146.2 Å²	146.2	77%	0.77	81%	0.808	S	S	*	*			trans	-60.6	161.5	174.6	-62.7	77	0	0	0	114.7
11	I	26	Very low	27.2	Very low	162 Å²	162	142.5 Å²	142.5	83%	0.831	80%	0.804	S	S	*	*			trans	169.8	110.5	134.7	-85.8	151.2	0	0	0	105
12	L	23.6	Very low	27	Very low	150 Å²	150	140.3 Å²	140.3	79%	0.785	80%	0.796	S	S	*	*				66.6	115.4	68.5	-143.3	96.1	0	0	0	115.5
13	C	23.2	Very low	27.1	Very low	106 Å²	106	132.3 Å²	132.3	72%	0.716	79%	0.788	S	S	*	*			trans	80.3	138.7	148.8	-83.5	0	0	0	0	123.6
14	L	24.3	Very low	27.5	Very low	162 Å²	162	135 Å²	135	85%	0.848	79%	0.791	S	S	*	*			trans	88.3	98.8	142.6	-69.7	159.6	0	0	0	121.8
15	A	28.9	Very low	27.6	Very low	83 Å²	83	139.9 Å²	139.9	69%	0.686	80%	0.803	S	S	*	*				13.7	140.5	125.8	0	0	0	0	0	122.2
16	L	25.9	Very low	28.2	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	81%	0.805	S	S	*	*			trans	174.7	107.6	141.1	-92.4	155.2	0	0	0	106.6
17	V	27.8	Very low	28.7	Very low	125 Å²	125	137.8 Å²	137.8	76%	0.758	80%	0.804	S	S	*	*				60	106.5	78.3	-175.2	0	0	0	0	115.4
18	S	26.8	Very low	28.9	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	81%	0.809	S	S	*	*			trans	153.9	106.4	141.2	49.3	0	0	0	0	109.7
19	V	31.2	Very low	29.2	Very low	129 Å²	129	143.4 Å²	143.4	78%	0.782	81%	0.807	S	S	*	*				63.9	91	82	-177.7	0	0	0	0	114.2
20	F	26.9	Very low	29.3	Very low	221 Å²	221	146.2 Å²	146.2	97%	0.969	82%	0.815	S	S	*	*			trans	-162	147	139.3	-79.4	-73.1	0	0	0	104.6
21	G	25.9	Very low	29.7	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	82%	0.817	S	S	*	*			cis	174.7	150.9	1.5	0	0	0	0	0	106
22	L	30.7	Very low	30.4	Very low	192 Å²	192	142.1 Å²	142.1	100%	1.005	80%	0.798	S	S	*	*			trans	-61	142.8	-172.1	-74.5	154.4	0	0	0	113.3
23	G	26.9	Very low	31.2	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	79%	0.791	S	S	*	*			trans	-171.4	105.9	169.4	0	0	0	0	0	109.8
24	E	35.2	Very low	32.3	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	80%	0.8	S	S	*	*			trans	-68.8	129.4	169.6	-64.6	176.4	124.4	0	0	109.1
25	D	28	Very low	33.6	Very low	163 Å²	163	135.2 Å²	135.2	87%	0.872	78%	0.776	S	S	*	*			trans	-149.5	109.3	157.4	-135.6	-5.4	0	0	0	108.2
26	L	40.2	Very low	34.7	Very low	153 Å²	153	133 Å²	133	80%	0.801	76%	0.756	S	S	*	*			trans	-79.7	157.1	174.1	-80.4	142.9	0	0	0	109.3
27	D	37.6	Very low	36.5	Very low	156 Å²	156	128.6 Å²	128.6	83%	0.834	74%	0.737	S	S	*	*			trans	75.7	69.5	176.8	-59.1	-22.9	0	0	0	119
28	R	29	Very low	38.6	Very low	231 Å²	231	127.7 Å²	127.7	87%	0.872	73%	0.727	S	S	*	*			trans	-139.7	136.8	143.7	-77.3	-165.6	177	-177.1	0.7	113.2	L30	R28-L30 PolarHBondContact O-N 3.45Å
29	P	33.2	Very low	40.6	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	73%	0.727	S	S	*	*			trans	-74.9	114.2	169.3	30	-32.1	0	0	0	110.9	F31	P29-F31 HydrophobicContact CB-CE2 4.41Å; P29-F31 HydrophobicContact CG-CE2 4.42Å; P29-F31 PolarHBondContact O-N 3.24Å; P29-F31 VanDerWaalsContact O-N 3.08Å
30	L	36.1	Very low	42.5	Very low	172 Å²	172	127.3 Å²	127.3	90%	0.901	70%	0.696	S	S	*	*			trans	-76.2	88.6	176.8	-86.3	157	0	0	0	111.6	R28 G32	R28-L30 PolarHBondContact O-N 3.45Å; L30-G32 PolarHBondContact O-N 2.96Å
31	F	36.6	Very low	44.7	Very low	181 Å²	181	123.1 Å²	123.1	79%	0.794	68%	0.68	S	S	*	*			trans	-70.5	105.6	162.8	-75	-84.5	0	0	0	109.9	P29	P29-F31 HydrophobicContact CB-CE2 4.41Å; P29-F31 HydrophobicContact CG-CE2 4.42Å; P29-F31 PolarHBondContact O-N 3.24Å; P29-F31 VanDerWaalsContact O-N 3.08Å
32	G	40.4	Very low	46.5	Very low	42 Å²	42	126.4 Å²	126.4	43%	0.433	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-72.4	172.5	164.4	0	0	0	0	0	112.2	L30	L30-G32 PolarHBondContact O-N 2.96Å
33	P	40.8	Very low	48.2	Very low	99 Å²	99	120.9 Å²	120.9	64%	0.643	65%	0.654	S	S	*	*	S	Bend	trans	-57.5	154.5	174	23.1	-32.4	0	0	0	112.1	G35 S36	P33-G35 PolarHBondContact O-N 2.89Å; P33-S36 VanDerWaalsContact CD-OG 3.22Å; P33-S36 WeakPolarHBondContact CD-OG 3.46Å; P33-S36 WeakPolarHBondContact CG-OG 3.45Å; P33-S36 VanDerWaalsContact O-CB 3.28Å; P33-S36 WeakPolarHBondContact O-CB 3.39Å; P33-S36 PolarHBondContact O-N 2.97Å; P33-S36 PolarHBondContact O-OG 3.08Å
34	P	45.1	Very low	50.3	Low	141 Å²	141	119.3 Å²	119.3	92%	0.916	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	129.6	-177.1	-27.9	35.1	0	0	0	112.7
35	G	52.5	Low	51.8	Low	33 Å²	33	114.3 Å²	114.3	34%	0.34	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	81.6	13.8	-174.5	0	0	0	0	0	115.5	P33 Q79 E80	P33-G35 PolarHBondContact O-N 2.89Å; G35-Q79 WeakPolarHBondContact O-CG 3.49Å; G35-Q79 PolarHBondContact O-NE2 3.3Å; G35-E80 VanDerWaalsContact CA-O 3.3Å; G35-E80 WeakPolarHBondContact CA-O 3.25Å
36	S	51.7	Low	53.4	Low	37 Å²	37	108.9 Å²	108.9	26%	0.259	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-72.9	145.7	167.4	-62.5	0	0	0	0	111.7	P33 I38	P33-S36 VanDerWaalsContact CD-OG 3.22Å; P33-S36 WeakPolarHBondContact CD-OG 3.46Å; P33-S36 WeakPolarHBondContact CG-OG 3.45Å; P33-S36 VanDerWaalsContact O-CB 3.28Å; P33-S36 WeakPolarHBondContact O-CB 3.39Å; P33-S36 PolarHBondContact O-N 2.97Å; P33-S36 PolarHBondContact O-OG 3.08Å; S36-I38 PolarHBondContact O-N 3.33Å
37	P	64.4	Low	54.7	Low	73 Å²	73	101.7 Å²	101.7	47%	0.474	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-66.8	117.3	173	-17.5	30.6	0	0	0	111.7	T77 K78 Q79	P37-T77 HydrophobicContact CB-CG2 4.2Å; P37-K78 CarbonylContact C-O 3.55Å; P37-K78 WeakPolarHBondContact CA-O 3.48Å; P37-Q79 HydrophobicContact CB-CB 4.42Å; P37-Q79 HydrophobicContact CG-CB 4.4Å; P37-Q79 HydrophobicContact CG-CG 4.17Å
38	I	71.4	Confident	56	Low	105 Å²	105	100.4 Å²	100.4	54%	0.538	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.6	175	-59.3	174.3	0	0	0	108.2	S36 L40 T77 K78	S36-I38 PolarHBondContact O-N 3.33Å; I38-L40 PolarHBondContact O-N 3.13Å; I38-T77 CarbonylContact O-C 3.57Å; I38-T77 VanDerWaalsContact O-CA 3.22Å; I38-T77 WeakPolarHBondContact O-CA 3.35Å; I38-K78 PolarHBondContact N-O 3.37Å; I38-K78 PolarHBondContact O-N 2.83Å
39	R	69.5	Low	57.7	Low	205 Å²	205	95.9 Å²	95.9	77%	0.774	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.3	171.2	-85.8	-170.9	174.6	-166	-1	110.1	A76 T77	R39-A76 WeakPolarHBondContact CA-O 3.47Å; R39-T77 HydrophobicContact CG-CG2 4.2Å
40	L	71.5	Confident	59.1	Low	25 Å²	25	91 Å²	91	13%	0.131	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-89.4	143.6	172.9	-56.7	-176.6	0	0	0	110.6	I38 D44 L47 A76 K78 Y88	I38-L40 PolarHBondContact O-N 3.13Å; L40-D44 HydrophobicContact CB-CB 4.38Å; L40-L47 HydrophobicContact CB-CD2 4.13Å; L40-L47 HydrophobicContact CD1-CB 4.03Å; L40-L47 HydrophobicContact CD1-CD1 4.44Å; L40-A76 HydrophobicContact CB-CB 3.81Å; L40-A76 HydrophobicContact CD1-CB 4.31Å; L40-A76 HydrophobicContact CG-CB 4.25Å; L40-A76 PolarHBondContact N-O 3.4Å; L40-A76 VanDerWaalsContact N-O 3.13Å; L40-K78 HydrophobicContact CD1-CB 4.09Å; L40-K78 HydrophobicContact CD2-CB 3.77Å; L40-K78 HydrophobicContact CD2-CD 4.26Å; L40-K78 HydrophobicContact CG-CB 4.03Å; L40-Y88 HydrophobicContact CD1-CD1 3.78Å; L40-Y88 HydrophobicContact CD1-CE1 3.89Å
41	H	71.4	Confident	60.5	Low	134 Å²	134	85.2 Å²	85.2	62%	0.62	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-84.4	151.7	171.2	-169	-105.4	0	0	0	110.4	S43 D44 L47	H41-S43 PolarHBondContact ND1-N 3.41Å; H41-S43 PolarHBondContact ND1-OG 2.66Å; H41-S43 PolarHBondContact O-N 3.29Å; H41-D44 WeakPolarHBondContact O-CB 3.35Å; H41-D44 PolarHBondContact O-N 3.16Å; H41-L47 WeakPolarHBondContact O-CD2 3.41Å
42	E	63.5	Low	61.7	Low	137 Å²	137	78.3 Å²	78.3	64%	0.64	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22	-177.3	-62.4	-175.3	165.8	0	0	114	D44	E42-D44 VanDerWaalsContact C-N 3.29Å; E42-D44 PolarHBondContact O-N 3.33Å
43	S	67.4	Low	62.7	Low	77 Å²	77	79 Å²	79	54%	0.538	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.9	175.5	64.5	0	0	0	0	114.4	H41	H41-S43 PolarHBondContact ND1-N 3.41Å; H41-S43 PolarHBondContact ND1-OG 2.66Å; H41-S43 PolarHBondContact O-N 3.29Å
44	D	70	Confident	63.6	Low	39 Å²	39	74.9 Å²	74.9	21%	0.209	40%	0.403	C	S	.	.			trans	-64.6	128.1	-175.8	-175.5	-65.2	0	0	0	111.6	L40 H41 E42 D46 L47 K48	L40-D44 HydrophobicContact CB-CB 4.38Å; H41-D44 WeakPolarHBondContact O-CB 3.35Å; H41-D44 PolarHBondContact O-N 3.16Å; E42-D44 VanDerWaalsContact C-N 3.29Å; E42-D44 PolarHBondContact O-N 3.33Å; D44-D46 PolarHBondContact O-N 2.92Å; D44-D46 WeakPolarHBondContact OD1-CA 3.41Å; D44-D46 WeakPolarHBondContact OD1-CB 3.23Å; D44-D46 PolarHBondContact OD1-N 3.25Å; D44-L47 HydrophobicContact CB-CB 3.86Å; D44-L47 PolarHBondContact O-N 2.94Å; D44-L47 PolarHBondContact OD1-N 3.07Å; D44-K48 PolarHBondContact O-N 2.89Å; D44-K48 VanDerWaalsContact O-N 3.13Å
45	P	67.2	Low	64.3	Low	88 Å²	88	71.1 Å²	71.1	57%	0.571	37%	0.373	S	S	*	.	H	α-helix	trans	-74.1	-22.5	-174.6	30.4	-35.9	0	0	0	113.9	K49	P45-K49 WeakPolarHBondContact O-CE 3.46Å; P45-K49 WeakPolarHBondContact O-CG 3.39Å
46	D	62.5	Low	64.7	Low	50 Å²	50	74.3 Å²	74.3	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-78.3	-38.8	171.4	-74.2	-16.7	0	0	0	110.2	D44 K48 K49 V50 K78 Y88	D44-D46 PolarHBondContact O-N 2.92Å; D44-D46 WeakPolarHBondContact OD1-CA 3.41Å; D44-D46 WeakPolarHBondContact OD1-CB 3.23Å; D44-D46 PolarHBondContact OD1-N 3.25Å; D46-K48 VanDerWaalsContact C-N 3.31Å; D46-K48 PolarHBondContact O-N 3.32Å; D46-K49 WeakPolarHBondContact O-CB 3.31Å; D46-K49 PolarHBondContact O-N 3.18Å; D46-K49 VanDerWaalsContact O-N 3.11Å; D46-K49 IonicContact OD1-NZ 3.13Å; D46-K49 PolarHBondContact OD1-NZ 3.44Å; D46-V50 WeakPolarHBondContact O-CG2 3.24Å; D46-V50 PolarHBondContact O-N 2.64Å; D46-K78 IonicContact OD2-NZ 2.73Å; D46-K78 PolarHBondContact OD2-NZ 2.88Å; D46-Y88 HydrophobicContact CB-CE1 4.08Å; D46-Y88 PolarHBondContact OD2-OH 2.77Å
47	L	66.4	Low	65	Low	1 Å²	1	77.6 Å²	77.6	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-56.9	-44.1	173.9	-178.7	57.2	0	0	0	111.4	L40 H41 D44 K49 V50 L51 F73 A76 T90	L40-L47 HydrophobicContact CB-CD2 4.13Å; L40-L47 HydrophobicContact CD1-CB 4.03Å; L40-L47 HydrophobicContact CD1-CD1 4.44Å; H41-L47 WeakPolarHBondContact O-CD2 3.41Å; D44-L47 HydrophobicContact CB-CB 3.86Å; D44-L47 PolarHBondContact O-N 2.94Å; D44-L47 PolarHBondContact OD1-N 3.07Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-V50 PolarHBondContact O-N 3.03Å; L47-L51 HydrophobicContact CD1-CD1 4.21Å; L47-L51 HydrophobicContact CD1-CG 4.06Å; L47-L51 HydrophobicContact CG-CD1 3.89Å; L47-L51 HydrophobicContact CG-CG 4.23Å; L47-L51 WeakPolarHBondContact O-CB 3.5Å; L47-L51 VanDerWaalsContact O-CG 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.35Å; L47-F73 HydrophobicContact CD1-CE1 4.44Å; L47-F73 HydrophobicContact CD1-CZ 4.16Å; L47-F73 HydrophobicContact CD2-CE1 4.18Å; L47-A76 HydrophobicContact CD1-CB 3.61Å; L47-A76 HydrophobicContact CD2-CB 4.01Å; L47-A76 HydrophobicContact CG-CB 4.45Å; L47-T90 HydrophobicContact CD1-CG2 3.89Å
48	K	66.3	Low	64.7	Low	130 Å²	130	76 Å²	76	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-59.4	-35.3	176.5	-72.5	-179.1	179.9	-179.6	0	113.7	D44 D46 G52	D44-K48 PolarHBondContact O-N 2.89Å; D44-K48 VanDerWaalsContact O-N 3.13Å; D46-K48 VanDerWaalsContact C-N 3.31Å; D46-K48 PolarHBondContact O-N 3.32Å; K48-G52 PolarHBondContact O-N 3.01Å
49	K	64.9	Low	63.9	Low	136 Å²	136	73.6 Å²	73.6	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-70.6	-43.1	175.4	-62.5	167.1	-162.4	155.9	0	111.4	P45 D46 L47 L51 G52 F53	P45-K49 WeakPolarHBondContact O-CE 3.46Å; P45-K49 WeakPolarHBondContact O-CG 3.39Å; D46-K49 WeakPolarHBondContact O-CB 3.31Å; D46-K49 PolarHBondContact O-N 3.18Å; D46-K49 VanDerWaalsContact O-N 3.11Å; D46-K49 IonicContact OD1-NZ 3.13Å; D46-K49 PolarHBondContact OD1-NZ 3.44Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-G52 PolarHBondContact O-N 3.24Å; K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.17Å
50	V	62.3	Low	63.2	Low	7 Å²	7	68.7 Å²	68.7	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-41.8	176.4	174.9	0	0	0	0	110.7	D46 L47 F53 A54 Y88 T90 A126	D46-V50 WeakPolarHBondContact O-CG2 3.24Å; D46-V50 PolarHBondContact O-N 2.64Å; L47-V50 PolarHBondContact O-N 3.03Å; V50-F53 PolarHBondContact O-N 2.9Å; V50-A54 WeakPolarHBondContact O-CB 3.41Å; V50-A54 PolarHBondContact O-N 2.92Å; V50-Y88 HydrophobicContact CG2-CD1 4.18Å; V50-Y88 HydrophobicContact CG2-CD2 4.41Å; V50-Y88 HydrophobicContact CG2-CG 4.12Å; V50-T90 HydrophobicContact CG1-CG2 3.99Å; V50-A126 HydrophobicContact CG1-CB 4.12Å; V50-A126 HydrophobicContact CG2-CB 4.45Å
51	L	64.1	Low	62	Low	49 Å²	49	67.8 Å²	67.8	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-48.6	175.9	-71.5	172.5	0	0	0	112.2	L47 K49 F53 A54 E55 F73	L47-L51 HydrophobicContact CD1-CD1 4.21Å; L47-L51 HydrophobicContact CD1-CG 4.06Å; L47-L51 HydrophobicContact CG-CD1 3.89Å; L47-L51 HydrophobicContact CG-CG 4.23Å; L47-L51 WeakPolarHBondContact O-CB 3.5Å; L47-L51 VanDerWaalsContact O-CG 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.35Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.41Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-A54 VanDerWaalsContact O-N 3.15Å; L51-E55 WeakPolarHBondContact O-CB 3.47Å; L51-E55 PolarHBondContact O-N 3.27Å; L51-F73 HydrophobicContact CD2-CD2 3.61Å; L51-F73 HydrophobicContact CD2-CE2 3.85Å; L51-F73 HydrophobicContact CD2-CG 4.3Å
52	G	62.2	Low	60.8	Low	37 Å²	37	62.4 Å²	62.4	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-39.5	177.2	0	0	0	0	0	112.6	K48 K49 E56	K48-G52 PolarHBondContact O-N 3.01Å; K49-G52 PolarHBondContact O-N 3.24Å; G52-E56 VanDerWaalsContact O-CB 3.29Å; G52-E56 WeakPolarHBondContact O-CB 3.39Å; G52-E56 PolarHBondContact O-N 2.95Å
53	F	61.8	Low	60.3	Low	57 Å²	57	56.5 Å²	56.5	25%	0.25	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-40.6	173.9	-178.7	-85.2	0	0	0	112.9	K49 V50 L51 E56 R57 F135	K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.17Å; V50-F53 PolarHBondContact O-N 2.9Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.41Å; F53-E56 PolarHBondContact O-N 2.6Å; F53-R57 HydrophobicContact CE1-CB 4.21Å; F53-R57 VanDerWaalsContact O-CB 3.26Å; F53-R57 WeakPolarHBondContact O-CB 3.38Å; F53-R57 PolarHBondContact O-N 3.43Å; F53-F135 HydrophobicContact CD1-CD1 4.36Å; F53-F135 HydrophobicContact CD1-CD2 4.31Å; F53-F135 AromaticContact CD1-CE1 3.61Å; F53-F135 HydrophobicContact CD1-CE1 3.61Å; F53-F135 AromaticContact CD1-CE2 3.57Å; F53-F135 HydrophobicContact CD1-CE2 3.57Å; F53-F135 AromaticContact CD1-CZ 3.17Å; F53-F135 HydrophobicContact CD1-CZ 3.17Å; F53-F135 HydrophobicContact CD2-CE2 4.36Å; F53-F135 AromaticContact CE1-CD1 3.84Å; F53-F135 HydrophobicContact CE1-CD1 3.84Å; F53-F135 AromaticContact CE1-CD2 3.45Å; F53-F135 HydrophobicContact CE1-CD2 3.45Å; F53-F135 VanDerWaalsContact CE1-CD2 3.45Å; F53-F135 AromaticContact CE1-CE1 3.54Å; F53-F135 HydrophobicContact CE1-CE1 3.54Å; F53-F135 AromaticContact CE1-CE2 3.13Å; F53-F135 HydrophobicContact CE1-CE2 3.13Å; F53-F135 AromaticContact CE1-CG 3.81Å; F53-F135 HydrophobicContact CE1-CG 3.81Å; F53-F135 AromaticContact CE1-CZ 3.19Å; F53-F135 HydrophobicContact CE1-CZ 3.19Å; F53-F135 AromaticContact CE2-CE2 3.99Å; F53-F135 HydrophobicContact CE2-CE2 3.99Å; F53-F135 HydrophobicContact CG-CE2 4.17Å; F53-F135 AromaticContact CG-CZ 3.91Å; F53-F135 HydrophobicContact CG-CZ 3.91Å; F53-F135 AromaticContact CZ-CD2 3.57Å; F53-F135 HydrophobicContact CZ-CD2 3.57Å; F53-F135 AromaticContact CZ-CE2 3.36Å; F53-F135 HydrophobicContact CZ-CE2 3.36Å; F53-F135 HydrophobicContact CZ-CG 4.28Å; F53-F135 AromaticContact CZ-CZ 3.92Å; F53-F135 HydrophobicContact CZ-CZ 3.92Å
54	A	58.8	Low	59.2	Low	11 Å²	11	54 Å²	54	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-44.9	177.6	0	0	0	0	0	111.3	V50 L51 R57 Y58	V50-A54 WeakPolarHBondContact O-CB 3.41Å; V50-A54 PolarHBondContact O-N 2.92Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-A54 VanDerWaalsContact O-N 3.15Å; A54-R57 PolarHBondContact O-N 2.99Å; A54-Y58 WeakPolarHBondContact O-CB 3.39Å; A54-Y58 PolarHBondContact O-N 3.39Å
55	E	61.3	Low	57.8	Low	63 Å²	63	53.1 Å²	53.1	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-48.7	173.4	-174	171.6	-154.2	0	0	110.4	L51 R57 Y58 N59 R69	L51-E55 WeakPolarHBondContact O-CB 3.47Å; L51-E55 PolarHBondContact O-N 3.27Å; E55-R57 PolarHBondContact O-N 3.01Å; E55-Y58 PolarHBondContact O-N 2.84Å; E55-N59 WeakPolarHBondContact CG-ND2 3.09Å; E55-N59 WeakPolarHBondContact O-CB 3.23Å; E55-N59 PolarHBondContact O-N 3.33Å; E55-N59 PolarHBondContact O-ND2 3.31Å; E55-N59 PolarHBondContact O-OD1 3.41Å; E55-N59 VanDerWaalsContact O-OD1 3.07Å; E55-R69 IonicContact OE1-NE 3.3Å; E55-R69 PolarHBondContact OE1-NE 2.83Å
56	E	60.4	Low	57	Low	99 Å²	99	50.7 Å²	50.7	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-57.2	-49.1	176.8	-166.1	-155.3	137.1	0	0	112	G52 F53 N59 R60	G52-E56 VanDerWaalsContact O-CB 3.29Å; G52-E56 WeakPolarHBondContact O-CB 3.39Å; G52-E56 PolarHBondContact O-N 2.95Å; F53-E56 PolarHBondContact O-N 2.6Å; E56-N59 PolarHBondContact O-N 2.84Å; E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 3.24Å; E56-R60 IonicContact OE1-CZ 2.8Å; E56-R60 IonicContact OE1-NE 3.05Å; E56-R60 PolarHBondContact OE1-NE 3.22Å; E56-R60 IonicContact OE1-NH2 2.7Å; E56-R60 PolarHBondContact OE1-NH2 2.87Å
57	R	58.9	Low	56.4	Low	107 Å²	107	49.9 Å²	49.9	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-73.2	-29.3	-175.7	-169.3	161.9	-176.7	75.1	0.3	113.1	F53 A54 E55	F53-R57 HydrophobicContact CE1-CB 4.21Å; F53-R57 VanDerWaalsContact O-CB 3.26Å; F53-R57 WeakPolarHBondContact O-CB 3.38Å; F53-R57 PolarHBondContact O-N 3.43Å; A54-R57 PolarHBondContact O-N 2.99Å; E55-R57 PolarHBondContact O-N 3.01Å
58	Y	58	Low	56.1	Low	38 Å²	38	51.3 Å²	51.3	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-41.4	170.7	-171.8	-111.7	0	0	0	111.1	A54 E55 R60 G61 R68 V70 V94	A54-Y58 WeakPolarHBondContact O-CB 3.39Å; A54-Y58 PolarHBondContact O-N 3.39Å; E55-Y58 PolarHBondContact O-N 2.84Å; Y58-R60 VanDerWaalsContact C-N 3.28Å; Y58-R60 PolarHBondContact O-N 2.9Å; Y58-G61 PolarHBondContact O-N 3.21Å; Y58-G61 VanDerWaalsContact O-N 3.17Å; Y58-R68 HydrophobicContact CD1-CB 3.87Å; Y58-R68 HydrophobicContact CE1-CB 3.31Å; Y58-R68 HydrophobicContact CE1-CG 4.43Å; Y58-V70 HydrophobicContact CD1-CG2 4.36Å; Y58-V94 HydrophobicContact CD1-CG1 4.1Å; Y58-V94 HydrophobicContact CE1-CG1 3.14Å; Y58-V94 HydrophobicContact CE2-CG1 4.1Å; Y58-V94 WeakPolarHBondContact OH-CG1 3.47Å
59	N	54.3	Low	55.7	Low	55 Å²	55	48 Å²	48	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-71.2	-16.9	178	-62.8	1.4	0	0	0	113.4	E55 E56 G61 S62 R68	E55-N59 WeakPolarHBondContact CG-ND2 3.09Å; E55-N59 WeakPolarHBondContact O-CB 3.23Å; E55-N59 PolarHBondContact O-N 3.33Å; E55-N59 PolarHBondContact O-ND2 3.31Å; E55-N59 PolarHBondContact O-OD1 3.41Å; E55-N59 VanDerWaalsContact O-OD1 3.07Å; E56-N59 PolarHBondContact O-N 2.84Å; N59-G61 PolarHBondContact O-N 3.22Å; N59-G61 VanDerWaalsContact O-N 3.11Å; N59-S62 VanDerWaalsContact O-CB 3.29Å; N59-S62 WeakPolarHBondContact O-CB 3.28Å; N59-S62 PolarHBondContact O-N 3.05Å; N59-S62 PolarHBondContact O-OG 2.72Å; N59-R68 PolarHBondContact OD1-O 3.06Å
60	R	54.6	Low	55.3	Low	102 Å²	102	42.8 Å²	42.8	39%	0.385	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.2	167.9	-75.4	177.1	-167.6	-161.5	1.8	113.7	E56 Y58	E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 3.24Å; E56-R60 IonicContact OE1-CZ 2.8Å; E56-R60 IonicContact OE1-NE 3.05Å; E56-R60 PolarHBondContact OE1-NE 3.22Å; E56-R60 IonicContact OE1-NH2 2.7Å; E56-R60 PolarHBondContact OE1-NH2 2.87Å; Y58-R60 VanDerWaalsContact C-N 3.28Å; Y58-R60 PolarHBondContact O-N 2.9Å
61	G	46	Very low	54.9	Low	7 Å²	7	44.8 Å²	44.8	7%	0.072	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	13.8	168.1	0	0	0	0	0	114.1	Y58 N59 R68	Y58-G61 PolarHBondContact O-N 3.21Å; Y58-G61 VanDerWaalsContact O-N 3.17Å; N59-G61 PolarHBondContact O-N 3.22Å; N59-G61 VanDerWaalsContact O-N 3.11Å; G61-R68 WeakPolarHBondContact O-CD 3.41Å; G61-R68 PolarHBondContact O-NE 3.35Å
62	S	46.8	Very low	54.4	Low	20 Å²	20	50.9 Å²	50.9	14%	0.14	25%	0.245	C	C	.	.			trans	-92.6	140	178.5	-63.7	0	0	0	0	111.9	N59 H66 R68	N59-S62 VanDerWaalsContact O-CB 3.29Å; N59-S62 WeakPolarHBondContact O-CB 3.28Å; N59-S62 PolarHBondContact O-N 3.05Å; N59-S62 PolarHBondContact O-OG 2.72Å; S62-H66 VanDerWaalsContact CA-O 3.27Å; S62-H66 WeakPolarHBondContact CA-O 3.37Å; S62-R68 WeakPolarHBondContact OG-CA 3.2Å; S62-R68 VanDerWaalsContact OG-CB 3.28Å; S62-R68 WeakPolarHBondContact OG-CB 3.45Å; S62-R68 PolarHBondContact OG-N 3.29Å; S62-R68 PolarHBondContact OG-O 3.43Å
63	N	52.4	Low	54.3	Low	13 Å²	13	50.9 Å²	50.9	7%	0.07	24%	0.235	C	C	.	.			trans	-133.5	-172.9	170.1	69.4	46.6	0	0	0	110	M65 H66 E226 F393	N63-M65 VanDerWaalsContact C-N 3.26Å; N63-M65 PolarHBondContact O-N 2.94Å; N63-M65 PolarHBondContact OD1-N 2.83Å; N63-H66 PolarHBondContact N-O 3.41Å; N63-H66 VanDerWaalsContact N-O 3.08Å; N63-H66 CarbonylContact O-C 3.6Å; N63-H66 PolarHBondContact O-N 3.35Å; N63-H66 PolarHBondContact OD1-N 2.82Å; N63-H66 VanDerWaalsContact OD1-N 3.08Å; N63-E226 PolarHBondContact ND2-OE1 3.48Å; N63-E226 PolarHBondContact ND2-OE2 3.43Å; N63-F393 WeakPolarHBondContact ND2-CE2 3.06Å
64	A	44.5	Very low	54.4	Low	24 Å²	24	51.6 Å²	51.6	20%	0.198	24%	0.244	C	C	.	.	S	Bend	trans	-70.8	-13	-175.3	0	0	0	0	0	116	I408	A64-I408 HydrophobicContact CB-CB 3.81Å; A64-I408 HydrophobicContact CB-CD1 3.98Å; A64-I408 HydrophobicContact CB-CG1 4.13Å
65	M	40.8	Very low	54.7	Low	22 Å²	22	52.6 Å²	52.6	11%	0.108	25%	0.25	C	S	.	.	S	Bend	trans	-100.3	-30.1	173.8	-54	-126.8	-53.4	0	0	112.1	N63 K98 N99 T202 F409	N63-M65 VanDerWaalsContact C-N 3.26Å; N63-M65 PolarHBondContact O-N 2.94Å; N63-M65 PolarHBondContact OD1-N 2.83Å; M65-K98 CarbonylContact O-C 3.57Å; M65-K98 WeakPolarHBondContact O-CA 3.32Å; M65-N99 PolarHBondContact O-N 2.98Å; M65-T202 HydrophobicContact CE-CG2 3.68Å; M65-T202 WeakPolarHBondContact CE-OG1 3.33Å; M65-F409 HydrophobicContact CG-CE1 4Å; M65-F409 HydrophobicContact SD-CE1 4.34Å
66	H	49.9	Very low	55.2	Low	37 Å²	37	49.8 Å²	49.8	17%	0.171	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	88.3	-176	-59.7	140	0	0	0	110.1	S62 N63 R68 F96 E226	S62-H66 VanDerWaalsContact CA-O 3.27Å; S62-H66 WeakPolarHBondContact CA-O 3.37Å; N63-H66 PolarHBondContact N-O 3.41Å; N63-H66 VanDerWaalsContact N-O 3.08Å; N63-H66 CarbonylContact O-C 3.6Å; N63-H66 PolarHBondContact O-N 3.35Å; N63-H66 PolarHBondContact OD1-N 2.82Å; N63-H66 VanDerWaalsContact OD1-N 3.08Å; H66-R68 PolarHBondContact O-N 3.38Å; H66-F96 HydrophobicContact CB-CE2 3.81Å; H66-F96 HydrophobicContact CB-CZ 3.67Å; H66-F96 AromaticContact CD2-CE1 3.56Å; H66-F96 AromaticContact CD2-CZ 3.23Å; H66-F96 WeakPolarHBondContact CD2-CZ 3.23Å; H66-F96 AromaticContact CG-CZ 3.42Å; H66-F96 VanDerWaalsContact CG-CZ 3.42Å; H66-F96 AromaticContact NE2-CZ 3.92Å; H66-E226 IonicContact CE1-OE2 2.77Å; H66-E226 IonicContact CG-OE2 2.83Å; H66-E226 IonicContact ND1-OE2 2.91Å; H66-E226 PolarHBondContact ND1-OE2 3.48Å
67	L	50.9	Low	55.7	Low	32 Å²	32	46.9 Å²	46.9	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	97	172.9	-153.9	97.5	0	0	0	108.9	L97 I102 L105 Y110	L67-L97 HydrophobicContact CB-CB 4.3Å; L67-L97 PolarHBondContact N-O 3.28Å; L67-L97 PolarHBondContact O-N 2.94Å; L67-I102 HydrophobicContact CD1-CD1 4.33Å; L67-I102 HydrophobicContact CD1-CG1 4.23Å; L67-L105 HydrophobicContact CD2-CD1 3.8Å; L67-Y110 WeakPolarHBondContact CD2-OH 3.42Å
68	R	58.8	Low	56.6	Low	31 Å²	31	44.4 Å²	44.4	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.5	174.2	-40.9	-168.7	177.9	-151.5	-1.8	108.8	Y58 N59 G61 S62 H66 F96 E227	Y58-R68 HydrophobicContact CD1-CB 3.87Å; Y58-R68 HydrophobicContact CE1-CB 3.31Å; Y58-R68 HydrophobicContact CE1-CG 4.43Å; N59-R68 PolarHBondContact OD1-O 3.06Å; G61-R68 WeakPolarHBondContact O-CD 3.41Å; G61-R68 PolarHBondContact O-NE 3.35Å; S62-R68 WeakPolarHBondContact OG-CA 3.2Å; S62-R68 VanDerWaalsContact OG-CB 3.28Å; S62-R68 WeakPolarHBondContact OG-CB 3.45Å; S62-R68 PolarHBondContact OG-N 3.29Å; S62-R68 PolarHBondContact OG-O 3.43Å; H66-R68 PolarHBondContact O-N 3.38Å; R68-F96 HydrophobicContact CG-CD2 4.05Å; R68-F96 HydrophobicContact CG-CE2 4.05Å; R68-E227 IonicContact CZ-OE2 2.83Å; R68-E227 IonicContact NH1-OE2 3.85Å; R68-E227 PolarHBondContact NH1-OE2 2.88Å; R68-E227 IonicContact NH2-OE2 3.83Å; R68-E227 PolarHBondContact NH2-OE2 3.05Å
69	R	57.9	Low	57.4	Low	62 Å²	62	45.4 Å²	45.4	23%	0.234	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.5	173	-165.2	-174.7	-175.9	-174.8	1	111.4	E55 S71 H95 N107 Y110	E55-R69 IonicContact OE1-NE 3.3Å; E55-R69 PolarHBondContact OE1-NE 2.83Å; R69-S71 PolarHBondContact O-N 3.3Å; R69-H95 PolarHBondContact N-O 3.38Å; R69-H95 PolarHBondContact O-N 3.37Å; R69-H95 VanDerWaalsContact O-O 3.13Å; R69-N107 PolarHBondContact NH1-OD1 3.27Å; R69-N107 PolarHBondContact NH2-OD1 2.94Å; R69-Y110 HydrophobicContact CB-CE1 4.02Å; R69-Y110 HydrophobicContact CG-CE1 4.24Å; R69-Y110 VanDerWaalsContact NH1-CD2 3.31Å; R69-Y110 VanDerWaalsContact NH1-CE2 3.28Å
70	V	56.1	Low	58	Low	25 Å²	25	48.2 Å²	48.2	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	113.4	166.3	-178.8	0	0	0	0	108.2	Y58 A92 V94	Y58-V70 HydrophobicContact CD1-CG2 4.36Å; V70-A92 HydrophobicContact CG1-CB 3.67Å; V70-V94 HydrophobicContact CG2-CG2 4.45Å
71	S	54.2	Low	58.3	Low	49 Å²	49	46.8 Å²	46.8	34%	0.343	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-41.4	-171.4	62.1	0	0	0	0	112.7	R69 D93 H95	R69-S71 PolarHBondContact O-N 3.3Å; S71-D93 PolarHBondContact N-O 3.33Å; S71-D93 PolarHBondContact OG-O 2.78Å; S71-H95 WeakPolarHBondContact CB-CD2 3.23Å; S71-H95 PolarHBondContact OG-CD2 2.86Å
72	R	54.7	Low	58.9	Low	177 Å²	177	53.8 Å²	53.8	67%	0.668	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.3	-174.9	-177.8	-179.9	-175.8	172.2	3	110.9	A92 D93	R72-A92 CarbonylContact O-C 3.5Å; R72-A92 WeakPolarHBondContact O-CA 3.31Å; R72-D93 HydrophobicContact CB-CB 4.15Å; R72-D93 PolarHBondContact N-O 2.96Å; R72-D93 PolarHBondContact O-N 3.32Å
73	F	59.6	Low	59	Low	37 Å²	37	57 Å²	57	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.9	173.9	-166.3	-114.8	0	0	0	111.6	L47 L51 S75 A76 T90 N91 A92	L47-F73 HydrophobicContact CD1-CE1 4.44Å; L47-F73 HydrophobicContact CD1-CZ 4.16Å; L47-F73 HydrophobicContact CD2-CE1 4.18Å; L51-F73 HydrophobicContact CD2-CD2 3.61Å; L51-F73 HydrophobicContact CD2-CE2 3.85Å; L51-F73 HydrophobicContact CD2-CG 4.3Å; F73-S75 WeakPolarHBondContact CZ-O 3.38Å; F73-A76 HydrophobicContact CE1-CB 3.71Å; F73-A76 VanDerWaalsContact CE1-N 3.33Å; F73-A76 HydrophobicContact CZ-CB 3.49Å; F73-A76 VanDerWaalsContact CZ-CB 3.49Å; F73-A76 VanDerWaalsContact CZ-N 3.26Å; F73-T90 HydrophobicContact CE2-CG2 3.9Å; F73-T90 HydrophobicContact CZ-CG2 3.94Å; F73-N91 WeakPolarHBondContact CD2-O 3.27Å; F73-N91 VanDerWaalsContact CE2-O 3.28Å; F73-N91 WeakPolarHBondContact CE2-O 3.36Å; F73-A92 HydrophobicContact CD2-CB 4.14Å
74	V	62.8	Low	59.1	Low	73 Å²	73	63.1 Å²	63.1	44%	0.442	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-46.8	-176.7	-179.3	0	0	0	0	112	N91 D93 L121	V74-N91 HydrophobicContact CB-CB 4.33Å; V74-N91 PolarHBondContact N-O 3.37Å; V74-D93 WeakPolarHBondContact CG2-OD1 3.35Å; V74-L121 HydrophobicContact CB-CD1 3.95Å; V74-L121 HydrophobicContact CG1-CD1 4.19Å; V74-L121 HydrophobicContact CG2-CD1 3.61Å
75	S	66.6	Low	59.5	Low	32 Å²	32	63.6 Å²	63.6	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	143.2	173.6	60.5	0	0	0	0	114.1	F73 N91	F73-S75 WeakPolarHBondContact CZ-O 3.38Å; S75-N91 PolarHBondContact N-O 2.84Å; S75-N91 PolarHBondContact O-N 2.87Å; S75-N91 PolarHBondContact OG-ND2 3.42Å
76	A	70.9	Confident	60.5	Low	3 Å²	3	63.1 Å²	63.1	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143	172.7	0	0	0	0	0	111.4	R39 L40 L47 F73 R89 T90	R39-A76 WeakPolarHBondContact CA-O 3.47Å; L40-A76 HydrophobicContact CB-CB 3.81Å; L40-A76 HydrophobicContact CD1-CB 4.31Å; L40-A76 HydrophobicContact CG-CB 4.25Å; L40-A76 PolarHBondContact N-O 3.4Å; L40-A76 VanDerWaalsContact N-O 3.13Å; L47-A76 HydrophobicContact CD1-CB 3.61Å; L47-A76 HydrophobicContact CD2-CB 4.01Å; L47-A76 HydrophobicContact CG-CB 4.45Å; F73-A76 HydrophobicContact CE1-CB 3.71Å; F73-A76 VanDerWaalsContact CE1-N 3.33Å; F73-A76 HydrophobicContact CZ-CB 3.49Å; F73-A76 VanDerWaalsContact CZ-CB 3.49Å; F73-A76 VanDerWaalsContact CZ-N 3.26Å; A76-R89 CarbonylContact C-O 3.59Å; A76-R89 WeakPolarHBondContact CA-O 3.31Å; A76-T90 HydrophobicContact CB-CG2 4.28Å
77	T	72.3	Confident	61	Low	39 Å²	39	62.5 Å²	62.5	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.4	159.8	59.9	0	0	0	0	111.6	P37 I38 R39 Y88 R89	P37-T77 HydrophobicContact CB-CG2 4.2Å; I38-T77 CarbonylContact O-C 3.57Å; I38-T77 VanDerWaalsContact O-CA 3.22Å; I38-T77 WeakPolarHBondContact O-CA 3.35Å; R39-T77 HydrophobicContact CG-CG2 4.2Å; T77-Y88 CarbonylContact O-C 3.58Å; T77-Y88 VanDerWaalsContact O-CA 3.29Å; T77-Y88 WeakPolarHBondContact O-CA 3.47Å; T77-R89 PolarHBondContact N-O 2.9Å; T77-R89 PolarHBondContact O-N 2.81Å
78	K	75.9	Confident	61.7	Low	54 Å²	54	61.4 Å²	61.4	24%	0.235	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	170.2	-179.2	177.6	-177.6	162.4	0	108.6	P37 I38 L40 D46 S86 L87 Y88	P37-K78 CarbonylContact C-O 3.55Å; P37-K78 WeakPolarHBondContact CA-O 3.48Å; I38-K78 PolarHBondContact N-O 3.37Å; I38-K78 PolarHBondContact O-N 2.83Å; L40-K78 HydrophobicContact CD1-CB 4.09Å; L40-K78 HydrophobicContact CD2-CB 3.77Å; L40-K78 HydrophobicContact CD2-CD 4.26Å; L40-K78 HydrophobicContact CG-CB 4.03Å; D46-K78 IonicContact OD2-NZ 2.73Å; D46-K78 PolarHBondContact OD2-NZ 2.88Å; K78-S86 WeakPolarHBondContact CE-OG 3.31Å; K78-L87 CarbonylContact C-O 3.33Å; K78-L87 WeakPolarHBondContact CA-O 3.33Å; K78-Y88 HydrophobicContact CB-CD1 4.07Å; K78-Y88 HydrophobicContact CB-CE1 4.11Å; K78-Y88 HydrophobicContact CD-CD1 4.39Å; K78-Y88 HydrophobicContact CD-CE1 3.59Å; K78-Y88 WeakPolarHBondContact CE-OH 3.24Å; K78-Y88 HydrophobicContact CG-CD1 4.13Å; K78-Y88 HydrophobicContact CG-CE1 3.79Å; K78-Y88 PolarHBondContact NZ-OH 2.78Å
79	Q	75.1	Confident	61.9	Low	60 Å²	60	66.4 Å²	66.4	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121	178.2	-165.9	-178.1	2	0	0	109.1	G35 P37 I81 S86 L87	G35-Q79 WeakPolarHBondContact O-CG 3.49Å; G35-Q79 PolarHBondContact O-NE2 3.3Å; P37-Q79 HydrophobicContact CB-CB 4.42Å; P37-Q79 HydrophobicContact CG-CB 4.4Å; P37-Q79 HydrophobicContact CG-CG 4.17Å; Q79-I81 HydrophobicContact CB-CD1 4.24Å; Q79-I81 HydrophobicContact CG-CD1 3.82Å; Q79-S86 WeakPolarHBondContact O-CA 3.48Å; Q79-L87 PolarHBondContact N-O 2.93Å; Q79-L87 PolarHBondContact O-N 3.45Å
80	E	66.8	Low	62.2	Low	113 Å²	113	63.5 Å²	63.5	53%	0.528	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.5	174.1	-167	169.9	-162.3	0	0	109.2	G35	G35-E80 VanDerWaalsContact CA-O 3.3Å; G35-E80 WeakPolarHBondContact CA-O 3.25Å
81	I	62	Low	62.4	Low	72 Å²	72	64.2 Å²	64.2	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-38.1	-171.6	-56.8	-61.2	0	0	0	111	Q79 T85 L87 W127	Q79-I81 HydrophobicContact CB-CD1 4.24Å; Q79-I81 HydrophobicContact CG-CD1 3.82Å; I81-T85 PolarHBondContact N-O 3.31Å; I81-L87 HydrophobicContact CD1-CB 4.29Å; I81-L87 HydrophobicContact CG1-CB 3.94Å; I81-W127 HydrophobicContact CB-CZ3 4.48Å; I81-W127 HydrophobicContact CG1-CZ3 4.02Å; I81-W127 HydrophobicContact CG2-CZ3 4.49Å
82	K	57.7	Low	62.6	Low	154 Å²	154	62 Å²	62	67%	0.67	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.9	172.8	-68.5	-173.8	-179.4	175.4	0	108	Q84 T85	K82-Q84 PolarHBondContact O-N 3.42Å; K82-Q84 VanDerWaalsContact O-N 3.15Å; K82-T85 PolarHBondContact O-N 3.11Å
83	A	50	Low	62.6	Low	87 Å²	87	55.2 Å²	55.2	72%	0.719	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	124.1	173.4	0	0	0	0	0	110.3	T85	A83-T85 VanDerWaalsContact C-N 3.34Å; A83-T85 PolarHBondContact O-N 3.36Å
84	Q	53.8	Low	62.2	Low	142 Å²	142	53.6 Å²	53.6	66%	0.664	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	15	-177	-50	175.2	-9.5	0	0	116.6	K82 L130	K82-Q84 PolarHBondContact O-N 3.42Å; K82-Q84 VanDerWaalsContact O-N 3.15Å; Q84-L130 HydrophobicContact CB-CD1 4.14Å; Q84-L130 HydrophobicContact CG-CD1 4.07Å
85	T	52.2	Low	61.9	Low	34 Å²	34	52.9 Å²	52.9	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.2	171.9	-54.3	0	0	0	0	111.7	I81 K82 A83 W127 S128	I81-T85 PolarHBondContact N-O 3.31Å; K82-T85 PolarHBondContact O-N 3.11Å; A83-T85 VanDerWaalsContact C-N 3.34Å; A83-T85 PolarHBondContact O-N 3.36Å; T85-W127 HydrophobicContact CG2-CE3 3.99Å; T85-W127 HydrophobicContact CG2-CZ3 4.37Å; T85-S128 WeakPolarHBondContact CA-O 3.32Å
86	S	61.6	Low	61	Low	13 Å²	13	55.4 Å²	55.4	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	174.8	-65.3	0	0	0	0	111.6	K78 Q79 S128	K78-S86 WeakPolarHBondContact CE-OG 3.31Å; Q79-S86 WeakPolarHBondContact O-CA 3.48Å; S86-S128 PolarHBondContact N-O 3.39Å; S86-S128 PolarHBondContact O-N 3.29Å
87	L	62.1	Low	59.9	Low	24 Å²	24	56.4 Å²	56.4	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.4	166.4	171.9	63.2	0	0	0	108.6	K78 Q79 I81 A126 W127	K78-L87 CarbonylContact C-O 3.33Å; K78-L87 WeakPolarHBondContact CA-O 3.33Å; Q79-L87 PolarHBondContact N-O 2.93Å; Q79-L87 PolarHBondContact O-N 3.45Å; I81-L87 HydrophobicContact CD1-CB 4.29Å; I81-L87 HydrophobicContact CG1-CB 3.94Å; L87-A126 CarbonylContact C-O 3.48Å; L87-A126 WeakPolarHBondContact CA-O 3.37Å; L87-W127 HydrophobicContact CB-CE3 4.33Å; L87-W127 HydrophobicContact CB-CZ3 4.3Å; L87-W127 HydrophobicContact CD1-CD2 4.12Å; L87-W127 HydrophobicContact CD1-CZ2 4.04Å; L87-W127 HydrophobicContact CD2-CH2 4.44Å; L87-W127 HydrophobicContact CD2-CZ2 4.42Å
88	Y	65.6	Low	58.6	Low	9 Å²	9	59.4 Å²	59.4	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.6	170.4	-57.6	-108.5	0	0	0	108.8	L40 D46 V50 T77 K78 S125 A126	L40-Y88 HydrophobicContact CD1-CD1 3.78Å; L40-Y88 HydrophobicContact CD1-CE1 3.89Å; D46-Y88 HydrophobicContact CB-CE1 4.08Å; D46-Y88 PolarHBondContact OD2-OH 2.77Å; V50-Y88 HydrophobicContact CG2-CD1 4.18Å; V50-Y88 HydrophobicContact CG2-CD2 4.41Å; V50-Y88 HydrophobicContact CG2-CG 4.12Å; T77-Y88 CarbonylContact O-C 3.58Å; T77-Y88 VanDerWaalsContact O-CA 3.29Å; T77-Y88 WeakPolarHBondContact O-CA 3.47Å; K78-Y88 HydrophobicContact CB-CD1 4.07Å; K78-Y88 HydrophobicContact CB-CE1 4.11Å; K78-Y88 HydrophobicContact CD-CD1 4.39Å; K78-Y88 HydrophobicContact CD-CE1 3.59Å; K78-Y88 WeakPolarHBondContact CE-OH 3.24Å; K78-Y88 HydrophobicContact CG-CD1 4.13Å; K78-Y88 HydrophobicContact CG-CE1 3.79Å; K78-Y88 PolarHBondContact NZ-OH 2.78Å; Y88-S125 CarbonylContact O-C 3.58Å; Y88-S125 WeakPolarHBondContact O-CA 3.37Å; Y88-A126 PolarHBondContact N-O 2.61Å; Y88-A126 PolarHBondContact O-N 2.78Å
89	R	62.6	Low	57	Low	135 Å²	135	63 Å²	63	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	169	-172.5	179.1	-66.1	177.5	-0.5	108.9	A76 T77 V123 F124	A76-R89 CarbonylContact C-O 3.59Å; A76-R89 WeakPolarHBondContact CA-O 3.31Å; T77-R89 PolarHBondContact N-O 2.9Å; T77-R89 PolarHBondContact O-N 2.81Å; R89-V123 HydrophobicContact CG-CG1 3.62Å; R89-F124 WeakPolarHBondContact CA-O 3.45Å
90	T	63.1	Low	55.6	Low	2 Å²	2	62.6 Å²	62.6	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.4	-175.2	40.8	0	0	0	0	109.5	L47 V50 F73 A76 F124	L47-T90 HydrophobicContact CD1-CG2 3.89Å; V50-T90 HydrophobicContact CG1-CG2 3.99Å; F73-T90 HydrophobicContact CE2-CG2 3.9Å; F73-T90 HydrophobicContact CZ-CG2 3.94Å; A76-T90 HydrophobicContact CB-CG2 4.28Å; T90-F124 PolarHBondContact N-O 3.03Å; T90-F124 PolarHBondContact O-N 3.46Å; T90-F124 WeakPolarHBondContact OG1-CB 3.31Å; T90-F124 PolarHBondContact OG1-O 3.43Å
91	N	60.7	Low	54.4	Low	39 Å²	39	65 Å²	65	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.9	172.4	-60	-7.2	0	0	0	108.4	F73 V74 S75 L121 F122	F73-N91 WeakPolarHBondContact CD2-O 3.27Å; F73-N91 VanDerWaalsContact CE2-O 3.28Å; F73-N91 WeakPolarHBondContact CE2-O 3.36Å; V74-N91 HydrophobicContact CB-CB 4.33Å; V74-N91 PolarHBondContact N-O 3.37Å; S75-N91 PolarHBondContact N-O 2.84Å; S75-N91 PolarHBondContact O-N 2.87Å; S75-N91 PolarHBondContact OG-ND2 3.42Å; N91-L121 HydrophobicContact CB-CD1 4.3Å; N91-F122 WeakPolarHBondContact CA-O 3.04Å
92	A	58.2	Low	53.4	Low	3 Å²	3	66.8 Å²	66.8	3%	0.025	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144	179.3	0	0	0	0	0	112	V70 R72 F73 F122 F124	V70-A92 HydrophobicContact CG1-CB 3.67Å; R72-A92 CarbonylContact O-C 3.5Å; R72-A92 WeakPolarHBondContact O-CA 3.31Å; F73-A92 HydrophobicContact CD2-CB 4.14Å; A92-F122 PolarHBondContact N-O 3.04Å; A92-F122 PolarHBondContact O-N 3.09Å; A92-F124 HydrophobicContact CB-CE2 4.38Å
93	D	55.1	Low	52.4	Low	34 Å²	34	64.4 Å²	64.4	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.3	165.3	-58.5	-35.7	0	0	0	108.4	S71 R72 V74	S71-D93 PolarHBondContact N-O 3.33Å; S71-D93 PolarHBondContact OG-O 2.78Å; R72-D93 HydrophobicContact CB-CB 4.15Å; R72-D93 PolarHBondContact N-O 2.96Å; R72-D93 PolarHBondContact O-N 3.32Å; V74-D93 WeakPolarHBondContact CG2-OD1 3.35Å
94	V	52.2	Low	51.9	Low	4 Å²	4	69.1 Å²	69.1	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	-173.5	177.3	0	0	0	0	109.1	Y58 V70 P120 F122 F124	Y58-V94 HydrophobicContact CD1-CG1 4.1Å; Y58-V94 HydrophobicContact CE1-CG1 3.14Å; Y58-V94 HydrophobicContact CE2-CG1 4.1Å; Y58-V94 WeakPolarHBondContact OH-CG1 3.47Å; V70-V94 HydrophobicContact CG2-CG2 4.45Å; V94-P120 PolarHBondContact N-O 3.31Å; V94-F122 HydrophobicContact CB-CD2 3.64Å; V94-F122 HydrophobicContact CB-CE2 3.98Å; V94-F122 HydrophobicContact CG1-CD2 4.23Å; V94-F122 HydrophobicContact CG1-CE2 4.22Å; V94-F122 HydrophobicContact CG2-CB 4.13Å; V94-F122 HydrophobicContact CG2-CD2 3.48Å; V94-F122 VanDerWaalsContact CG2-CD2 3.48Å; V94-F122 HydrophobicContact CG2-CE2 4.27Å; V94-F122 HydrophobicContact CG2-CG 4.17Å; V94-F124 HydrophobicContact CG2-CZ 4.47Å
95	H	54.9	Low	51.2	Low	57 Å²	57	64.8 Å²	64.8	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	141.2	175.4	-86.1	-132.5	0	0	0	111.2	R69 S71	R69-H95 PolarHBondContact N-O 3.38Å; R69-H95 PolarHBondContact O-N 3.37Å; R69-H95 VanDerWaalsContact O-O 3.13Å; S71-H95 WeakPolarHBondContact CB-CD2 3.23Å; S71-H95 PolarHBondContact OG-CD2 2.86Å
96	F	48.4	Very low	50.7	Low	86 Å²	86	65.5 Å²	65.5	38%	0.377	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	102	174	-170.7	-101.4	0	0	0	108	H66 R68 K98	H66-F96 HydrophobicContact CB-CE2 3.81Å; H66-F96 HydrophobicContact CB-CZ 3.67Å; H66-F96 AromaticContact CD2-CE1 3.56Å; H66-F96 AromaticContact CD2-CZ 3.23Å; H66-F96 WeakPolarHBondContact CD2-CZ 3.23Å; H66-F96 AromaticContact CG-CZ 3.42Å; H66-F96 VanDerWaalsContact CG-CZ 3.42Å; H66-F96 AromaticContact NE2-CZ 3.92Å; R68-F96 HydrophobicContact CG-CD2 4.05Å; R68-F96 HydrophobicContact CG-CE2 4.05Å; F96-K98 HydrophobicContact CD1-CG 3.82Å; F96-K98 HydrophobicContact CE1-CD 4.32Å; F96-K98 HydrophobicContact CE1-CG 3.58Å; F96-K98 PolarHBondContact O-N 3.47Å
97	L	47	Very low	49.7	Very low	24 Å²	24	70.5 Å²	70.5	13%	0.126	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.4	178.3	-66.4	175.1	0	0	0	109.1	L67 I100 Y110	L67-L97 HydrophobicContact CB-CB 4.3Å; L67-L97 PolarHBondContact N-O 3.28Å; L67-L97 PolarHBondContact O-N 2.94Å; L97-I100 HydrophobicContact CB-CD1 3.74Å; L97-I100 HydrophobicContact CB-CG1 4.33Å; L97-I100 HydrophobicContact CD1-CD1 3.85Å; L97-I100 HydrophobicContact CD2-CD1 4.16Å; L97-I100 HydrophobicContact CG-CD1 4.12Å; L97-Y110 HydrophobicContact CD1-CD1 3.89Å; L97-Y110 HydrophobicContact CD1-CE1 3.39Å
98	K	45	Very low	48.5	Very low	102 Å²	102	72.5 Å²	72.5	44%	0.443	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.2	168.1	-72.6	-172.5	171.3	-170.9	0	110.4	M65 F96 E198	M65-K98 CarbonylContact O-C 3.57Å; M65-K98 WeakPolarHBondContact O-CA 3.32Å; F96-K98 HydrophobicContact CD1-CG 3.82Å; F96-K98 HydrophobicContact CE1-CD 4.32Å; F96-K98 HydrophobicContact CE1-CG 3.58Å; F96-K98 PolarHBondContact O-N 3.47Å; K98-E198 IonicContact NZ-OE2 3.2Å; K98-E198 PolarHBondContact NZ-OE2 3.25Å
99	N	42.7	Very low	47.3	Very low	128 Å²	128	75.7 Å²	75.7	68%	0.684	38%	0.383	S	S	*	.	S	Bend	trans	59.9	52.1	165.4	-62.1	-33.1	0	0	0	116.4	M65	M65-N99 PolarHBondContact O-N 2.98Å
100	I	45.5	Very low	46.3	Very low	52 Å²	52	71.1 Å²	71.1	27%	0.267	37%	0.366	S	S	.	.			trans	-120.5	124.2	175.9	-52.9	-170.5	0	0	0	113.5	L97 I102 L105	L97-I100 HydrophobicContact CB-CD1 3.74Å; L97-I100 HydrophobicContact CB-CG1 4.33Å; L97-I100 HydrophobicContact CD1-CD1 3.85Å; L97-I100 HydrophobicContact CD2-CD1 4.16Å; L97-I100 HydrophobicContact CG-CD1 4.12Å; I100-I102 PolarHBondContact O-N 3.2Å; I100-L105 HydrophobicContact CB-CD1 4.49Å; I100-L105 HydrophobicContact CD1-CD2 4.36Å; I100-L105 HydrophobicContact CG2-CD1 3.69Å; I100-L105 HydrophobicContact CG2-CD2 4.06Å; I100-L105 HydrophobicContact CG2-CG 3.73Å
101	F	41.3	Very low	45.2	Very low	163 Å²	163	77.4 Å²	77.4	72%	0.715	40%	0.4	S	S	*	.			trans	-65.8	117	165.1	-91.2	-99.1	0	0	0	110.9	S103 K104	F101-S103 PolarHBondContact O-N 3.1Å; F101-K104 PolarHBondContact O-N 3.48Å
102	I	42.1	Very low	44.1	Very low	110 Å²	110	82 Å²	82	56%	0.564	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-55.8	-26	-179.9	-63.7	175	0	0	0	112.9	L67 I100 K104	L67-I102 HydrophobicContact CD1-CD1 4.33Å; L67-I102 HydrophobicContact CD1-CG1 4.23Å; I100-I102 PolarHBondContact O-N 3.2Å; I102-K104 PolarHBondContact O-N 3.49Å
103	S	36.6	Very low	43	Very low	104 Å²	104	84.7 Å²	84.7	73%	0.727	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-69.8	2.5	-174.7	58.2	0	0	0	0	116.5	F101	F101-S103 PolarHBondContact O-N 3.1Å
104	K	38.8	Very low	41.9	Very low	186 Å²	186	88.6 Å²	88.6	81%	0.809	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-136.3	6.1	178.5	-78.7	-167	175.7	-177.4	0	116.2	F101 I102 S106	F101-K104 PolarHBondContact O-N 3.48Å; I102-K104 PolarHBondContact O-N 3.49Å; K104-S106 PolarHBondContact O-N 3.1Å
105	L	39.7	Very low	41.1	Very low	51 Å²	51	96.8 Å²	96.8	27%	0.267	51%	0.513	S	S	.	.			trans	-76.9	121.7	-178.7	-83.6	165.1	0	0	0	112.6	L67 I100 D109 Y110	L67-L105 HydrophobicContact CD2-CD1 3.8Å; I100-L105 HydrophobicContact CB-CD1 4.49Å; I100-L105 HydrophobicContact CD1-CD2 4.36Å; I100-L105 HydrophobicContact CG2-CD1 3.69Å; I100-L105 HydrophobicContact CG2-CD2 4.06Å; I100-L105 HydrophobicContact CG2-CG 3.73Å; L105-D109 HydrophobicContact CD2-CB 4.12Å; L105-Y110 HydrophobicContact CD2-CE2 4.03Å
106	S	42	Very low	40.1	Very low	49 Å²	49	101.5 Å²	101.5	34%	0.343	54%	0.54	S	S	.	.			trans	-105.3	164.8	166	73.8	0	0	0	0	110.7	K104 S108 D109	K104-S106 PolarHBondContact O-N 3.1Å; S106-S108 PolarHBondContact O-N 2.95Å; S106-S108 PolarHBondContact OG-N 2.83Å; S106-S108 PolarHBondContact OG-OG 3.12Å; S106-D109 WeakPolarHBondContact CA-OD2 3.49Å; S106-D109 WeakPolarHBondContact CB-OD2 3.36Å; S106-D109 PolarHBondContact N-OD2 3.43Å; S106-D109 PolarHBondContact O-N 3.22Å; S106-D109 PolarHBondContact OG-OD2 3.09Å
107	N	41.1	Very low	39.7	Very low	118 Å²	118	106 Å²	106	63%	0.631	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-17.2	174.5	-95.2	-23.9	0	0	0	113.5	R69	R69-N107 PolarHBondContact NH1-OD1 3.27Å; R69-N107 PolarHBondContact NH2-OD1 2.94Å
108	S	37	Very low	39.4	Very low	67 Å²	67	113.6 Å²	113.6	47%	0.469	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-23.5	176.7	37.9	0	0	0	0	114.1	S106 Y110 N111	S106-S108 PolarHBondContact O-N 2.95Å; S106-S108 PolarHBondContact OG-N 2.83Å; S106-S108 PolarHBondContact OG-OG 3.12Å; S108-Y110 VanDerWaalsContact C-N 3.25Å; S108-Y110 PolarHBondContact O-N 3.16Å; S108-N111 PolarHBondContact O-N 2.69Å; S108-N111 VanDerWaalsContact O-N 3.17Å
109	D	39.5	Very low	39.5	Very low	75 Å²	75	111.2 Å²	111.2	40%	0.401	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-70.7	-24.8	-176	-56.9	-54.6	0	0	0	112.3	L105 S106 N111	L105-D109 HydrophobicContact CD2-CB 4.12Å; S106-D109 WeakPolarHBondContact CA-OD2 3.49Å; S106-D109 WeakPolarHBondContact CB-OD2 3.36Å; S106-D109 PolarHBondContact N-OD2 3.43Å; S106-D109 PolarHBondContact O-N 3.22Å; S106-D109 PolarHBondContact OG-OD2 3.09Å; D109-N111 VanDerWaalsContact C-N 3.34Å
110	Y	42.3	Very low	39.6	Very low	39 Å²	39	108.1 Å²	108.1	15%	0.153	58%	0.577	C	S	.	*	G	3₁₀ helix	trans	-70.5	-27.4	173.6	-72.8	-93.4	0	0	0	113.6	L67 R69 L97 L105 S108	L67-Y110 WeakPolarHBondContact CD2-OH 3.42Å; R69-Y110 HydrophobicContact CB-CE1 4.02Å; R69-Y110 HydrophobicContact CG-CE1 4.24Å; R69-Y110 VanDerWaalsContact NH1-CD2 3.31Å; R69-Y110 VanDerWaalsContact NH1-CE2 3.28Å; L97-Y110 HydrophobicContact CD1-CD1 3.89Å; L97-Y110 HydrophobicContact CD1-CE1 3.39Å; L105-Y110 HydrophobicContact CD2-CE2 4.03Å; S108-Y110 VanDerWaalsContact C-N 3.25Å; S108-Y110 PolarHBondContact O-N 3.16Å
111	N	38.8	Very low	39.5	Very low	135 Å²	135	109 Å²	109	72%	0.722	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-90.7	-8.2	-173.1	-71.1	-11.8	0	0	0	113.6	S108 D109	S108-N111 PolarHBondContact O-N 2.69Å; S108-N111 VanDerWaalsContact O-N 3.17Å; D109-N111 VanDerWaalsContact C-N 3.34Å
112	N	37.3	Very low	40	Very low	134 Å²	134	103.1 Å²	103.1	72%	0.717	56%	0.557	S	S	*	*			trans	-114.5	10.1	-169.2	-78.2	-14.9	0	0	0	114.7
113	S	35	Very low	40.4	Very low	61 Å²	61	99.4 Å²	99.4	43%	0.427	54%	0.539	S	S	.	.	S	Bend	trans	-75.8	138	169.8	-68.8	0	0	0	0	110.8
114	P	32.1	Very low	41.5	Very low	115 Å²	115	95.7 Å²	95.7	75%	0.747	51%	0.51	S	S	*	.			trans	-65.4	136.3	-178.1	25.8	-33.3	0	0	0	112.1	N116	P114-N116 PolarHBondContact O-N 2.99Å
115	L	35.6	Very low	42	Very low	177 Å²	177	88.2 Å²	88.2	93%	0.927	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	32.2	-169.6	-89.5	157.7	0	0	0	116.5
116	N	33.8	Very low	42.7	Very low	156 Å²	156	85.8 Å²	85.8	83%	0.834	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-0	-169.9	-86.5	5.6	0	0	0	116.5	P114	P114-N116 PolarHBondContact O-N 2.99Å
117	E	39.9	Very low	43.2	Very low	179 Å²	179	88 Å²	88	84%	0.836	47%	0.469	S	S	*	.	S	Bend	trans	-102	132.8	165.4	-72.3	-171.7	149.7	0	0	110.3	S119	E117-S119 PolarHBondContact O-N 3.46Å; E117-S119 VanDerWaalsContact O-N 3.09Å
118	K	41.6	Very low	43.5	Very low	184 Å²	184	83.9 Å²	83.9	80%	0.8	45%	0.45	S	S	*	.			trans	-71.5	102.5	178.6	-67.3	179.5	-178.6	176.8	0	109.3	P120	K118-P120 WeakPolarHBondContact O-CD 3.48Å
119	S	46.1	Very low	43.9	Very low	52 Å²	52	83.6 Å²	83.6	36%	0.364	45%	0.447	S	S	.	.			trans	-59.9	126.2	172.6	-0.3	0	0	0	0	110.1	E117	E117-S119 PolarHBondContact O-N 3.46Å; E117-S119 VanDerWaalsContact O-N 3.09Å
120	P	46	Very low	43.8	Very low	63 Å²	63	85.8 Å²	85.8	41%	0.409	46%	0.458	S	S	.	.			trans	-67.2	132.8	173.1	26.1	-34	0	0	0	111	V94 K118 F122	V94-P120 PolarHBondContact N-O 3.31Å; K118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-F122 HydrophobicContact CB-CD2 4.31Å; P120-F122 HydrophobicContact CB-CE2 3.8Å; P120-F122 HydrophobicContact CB-CZ 4.39Å; P120-F122 HydrophobicContact CG-CD2 4.37Å; P120-F122 HydrophobicContact CG-CE2 3.64Å; P120-F122 HydrophobicContact CG-CZ 4.4Å
121	L	42.4	Very low	43.4	Very low	71 Å²	71	93.9 Å²	93.9	37%	0.372	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.9	177.2	-175.1	78	0	0	0	109.7	V74 N91	V74-L121 HydrophobicContact CB-CD1 3.95Å; V74-L121 HydrophobicContact CG1-CD1 4.19Å; V74-L121 HydrophobicContact CG2-CD1 3.61Å; N91-L121 HydrophobicContact CB-CD1 4.3Å
122	F	52.8	Low	43.2	Very low	39 Å²	39	90.7 Å²	90.7	17%	0.171	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	178.7	-75	-88	0	0	0	112.3	N91 A92 V94 P120 F124	N91-F122 WeakPolarHBondContact CA-O 3.04Å; A92-F122 PolarHBondContact N-O 3.04Å; A92-F122 PolarHBondContact O-N 3.09Å; V94-F122 HydrophobicContact CB-CD2 3.64Å; V94-F122 HydrophobicContact CB-CE2 3.98Å; V94-F122 HydrophobicContact CG1-CD2 4.23Å; V94-F122 HydrophobicContact CG1-CE2 4.22Å; V94-F122 HydrophobicContact CG2-CB 4.13Å; V94-F122 HydrophobicContact CG2-CD2 3.48Å; V94-F122 VanDerWaalsContact CG2-CD2 3.48Å; V94-F122 HydrophobicContact CG2-CE2 4.27Å; V94-F122 HydrophobicContact CG2-CG 4.17Å; P120-F122 HydrophobicContact CB-CD2 4.31Å; P120-F122 HydrophobicContact CB-CE2 3.8Å; P120-F122 HydrophobicContact CB-CZ 4.39Å; P120-F122 HydrophobicContact CG-CD2 4.37Å; P120-F122 HydrophobicContact CG-CE2 3.64Å; P120-F122 HydrophobicContact CG-CZ 4.4Å; F122-F124 HydrophobicContact CB-CD2 4.32Å; F122-F124 HydrophobicContact CB-CE2 3.55Å; F122-F124 HydrophobicContact CB-CZ 3.69Å; F122-F124 HydrophobicContact CG-CZ 4.39Å
123	V	50.8	Low	43.1	Very low	33 Å²	33	88.7 Å²	88.7	20%	0.2	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112	174.5	-174.5	0	0	0	0	109.1	R89	R89-V123 HydrophobicContact CG-CG1 3.62Å
124	F	58.4	Low	43.1	Very low	26 Å²	26	90.4 Å²	90.4	11%	0.114	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.1	174.3	-49.4	-97	0	0	0	110.4	R89 T90 A92 V94 F122 L137	R89-F124 WeakPolarHBondContact CA-O 3.45Å; T90-F124 PolarHBondContact N-O 3.03Å; T90-F124 PolarHBondContact O-N 3.46Å; T90-F124 WeakPolarHBondContact OG1-CB 3.31Å; T90-F124 PolarHBondContact OG1-O 3.43Å; A92-F124 HydrophobicContact CB-CE2 4.38Å; V94-F124 HydrophobicContact CG2-CZ 4.47Å; F122-F124 HydrophobicContact CB-CD2 4.32Å; F122-F124 HydrophobicContact CB-CE2 3.55Å; F122-F124 HydrophobicContact CB-CZ 3.69Å; F122-F124 HydrophobicContact CG-CZ 4.39Å; F124-L137 HydrophobicContact CD1-CD2 4.22Å
125	S	50.3	Low	43.5	Very low	28 Å²	28	87.5 Å²	87.5	20%	0.196	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121	177.1	41.8	0	0	0	0	112.2	Y88 F135 M136	Y88-S125 CarbonylContact O-C 3.58Å; Y88-S125 WeakPolarHBondContact O-CA 3.37Å; S125-F135 VanDerWaalsContact O-CD1 3.31Å; S125-F135 WeakPolarHBondContact O-CD1 3.36Å; S125-M136 PolarHBondContact OG-O 3.34Å
126	A	54.3	Low	43.3	Very low	1 Å²	1	86.1 Å²	86.1	1%	0.008	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	-178.6	0	0	0	0	0	111.7	V50 L87 Y88 F135	V50-A126 HydrophobicContact CG1-CB 4.12Å; V50-A126 HydrophobicContact CG2-CB 4.45Å; L87-A126 CarbonylContact C-O 3.48Å; L87-A126 WeakPolarHBondContact CA-O 3.37Å; Y88-A126 PolarHBondContact N-O 2.61Å; Y88-A126 PolarHBondContact O-N 2.78Å; A126-F135 VanDerWaalsContact CA-CE1 3.49Å; A126-F135 HydrophobicContact CB-CD1 3.96Å; A126-F135 HydrophobicContact CB-CE1 3.18Å; A126-F135 HydrophobicContact CB-CZ 3.58Å
127	W	51.9	Low	43.3	Very low	95 Å²	95	84 Å²	84	36%	0.36	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.6	170.7	-61	81.8	0	0	0	109.8	I81 T85 L87 L133 T134	I81-W127 HydrophobicContact CB-CZ3 4.48Å; I81-W127 HydrophobicContact CG1-CZ3 4.02Å; I81-W127 HydrophobicContact CG2-CZ3 4.49Å; T85-W127 HydrophobicContact CG2-CE3 3.99Å; T85-W127 HydrophobicContact CG2-CZ3 4.37Å; L87-W127 HydrophobicContact CB-CE3 4.33Å; L87-W127 HydrophobicContact CB-CZ3 4.3Å; L87-W127 HydrophobicContact CD1-CD2 4.12Å; L87-W127 HydrophobicContact CD1-CZ2 4.04Å; L87-W127 HydrophobicContact CD2-CH2 4.44Å; L87-W127 HydrophobicContact CD2-CZ2 4.42Å; W127-L133 WeakPolarHBondContact O-CA 3.49Å; W127-L133 WeakPolarHBondContact O-CG 3.45Å; W127-T134 WeakPolarHBondContact CB-O 3.48Å
128	S	47.9	Very low	42.9	Very low	31 Å²	31	82.4 Å²	82.4	22%	0.217	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	167.8	69.7	0	0	0	0	110.5	T85 S86	T85-S128 WeakPolarHBondContact CA-O 3.32Å; S86-S128 PolarHBondContact N-O 3.39Å; S86-S128 PolarHBondContact O-N 3.29Å
129	C	44.5	Very low	42.6	Very low	62 Å²	62	78.1 Å²	78.1	42%	0.419	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.2	163.1	-70.7	0	0	0	0	108.6	F131 S132	C129-F131 PolarHBondContact O-N 3.2Å; C129-S132 PolarHBondContact N-O 3.17Å; C129-S132 PolarHBondContact O-N 2.85Å
130	L	38	Very low	41.8	Very low	120 Å²	120	81.9 Å²	81.9	63%	0.628	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.6	-168	-107.7	167.7	0	0	0	116.8	Q84	Q84-L130 HydrophobicContact CB-CD1 4.14Å; Q84-L130 HydrophobicContact CG-CD1 4.07Å
131	F	34.1	Very low	41.1	Very low	209 Å²	209	83.8 Å²	83.8	92%	0.917	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	4.1	175.1	-82.6	-79.8	0	0	0	115.7	C129	C129-F131 PolarHBondContact O-N 3.2Å
132	S	34.6	Very low	40.4	Very low	68 Å²	68	88.6 Å²	88.6	48%	0.476	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	140.2	171.4	-175.7	0	0	0	0	110.8	C129	C129-S132 PolarHBondContact N-O 3.17Å; C129-S132 PolarHBondContact O-N 2.85Å
133	L	34.9	Very low	39.2	Very low	93 Å²	93	95.1 Å²	95.1	49%	0.487	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.9	159.9	-80.5	84.8	0	0	0	109	W127 F135	W127-L133 WeakPolarHBondContact O-CA 3.49Å; W127-L133 WeakPolarHBondContact O-CG 3.45Å; L133-F135 HydrophobicContact CB-CD2 4.36Å; L133-F135 HydrophobicContact CB-CE2 3.72Å; L133-F135 HydrophobicContact CD2-CE2 3.78Å; L133-F135 HydrophobicContact CD2-CZ 3.85Å; L133-F135 HydrophobicContact CG-CE2 4.39Å
134	T	34.6	Very low	38	Very low	97 Å²	97	96.6 Å²	96.6	60%	0.595	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.8	174.1	-39.6	0	0	0	0	109	W127	W127-T134 WeakPolarHBondContact CB-O 3.48Å
135	F	41.6	Very low	36.4	Very low	53 Å²	53	102 Å²	102	23%	0.232	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.1	-172.6	-74.4	-105.2	0	0	0	111.9	F53 S125 A126 L133	F53-F135 HydrophobicContact CD1-CD1 4.36Å; F53-F135 HydrophobicContact CD1-CD2 4.31Å; F53-F135 AromaticContact CD1-CE1 3.61Å; F53-F135 HydrophobicContact CD1-CE1 3.61Å; F53-F135 AromaticContact CD1-CE2 3.57Å; F53-F135 HydrophobicContact CD1-CE2 3.57Å; F53-F135 AromaticContact CD1-CZ 3.17Å; F53-F135 HydrophobicContact CD1-CZ 3.17Å; F53-F135 HydrophobicContact CD2-CE2 4.36Å; F53-F135 AromaticContact CE1-CD1 3.84Å; F53-F135 HydrophobicContact CE1-CD1 3.84Å; F53-F135 AromaticContact CE1-CD2 3.45Å; F53-F135 HydrophobicContact CE1-CD2 3.45Å; F53-F135 VanDerWaalsContact CE1-CD2 3.45Å; F53-F135 AromaticContact CE1-CE1 3.54Å; F53-F135 HydrophobicContact CE1-CE1 3.54Å; F53-F135 AromaticContact CE1-CE2 3.13Å; F53-F135 HydrophobicContact CE1-CE2 3.13Å; F53-F135 AromaticContact CE1-CG 3.81Å; F53-F135 HydrophobicContact CE1-CG 3.81Å; F53-F135 AromaticContact CE1-CZ 3.19Å; F53-F135 HydrophobicContact CE1-CZ 3.19Å; F53-F135 AromaticContact CE2-CE2 3.99Å; F53-F135 HydrophobicContact CE2-CE2 3.99Å; F53-F135 HydrophobicContact CG-CE2 4.17Å; F53-F135 AromaticContact CG-CZ 3.91Å; F53-F135 HydrophobicContact CG-CZ 3.91Å; F53-F135 AromaticContact CZ-CD2 3.57Å; F53-F135 HydrophobicContact CZ-CD2 3.57Å; F53-F135 AromaticContact CZ-CE2 3.36Å; F53-F135 HydrophobicContact CZ-CE2 3.36Å; F53-F135 HydrophobicContact CZ-CG 4.28Å; F53-F135 AromaticContact CZ-CZ 3.92Å; F53-F135 HydrophobicContact CZ-CZ 3.92Å; S125-F135 VanDerWaalsContact O-CD1 3.31Å; S125-F135 WeakPolarHBondContact O-CD1 3.36Å; A126-F135 VanDerWaalsContact CA-CE1 3.49Å; A126-F135 HydrophobicContact CB-CD1 3.96Å; A126-F135 HydrophobicContact CB-CE1 3.18Å; A126-F135 HydrophobicContact CB-CZ 3.58Å; L133-F135 HydrophobicContact CB-CD2 4.36Å; L133-F135 HydrophobicContact CB-CE2 3.72Å; L133-F135 HydrophobicContact CD2-CE2 3.78Å; L133-F135 HydrophobicContact CD2-CZ 3.85Å; L133-F135 HydrophobicContact CG-CE2 4.39Å
136	M	31.4	Very low	35.3	Very low	148 Å²	148	104.9 Å²	104.9	73%	0.729	57%	0.566	S	S	*	*			trans	-118.4	135.9	164	-76.4	-72.1	-166.9	0	0	107.6	S125	S125-M136 PolarHBondContact OG-O 3.34Å
137	L	33.8	Very low	34	Very low	113 Å²	113	110.6 Å²	110.6	59%	0.592	61%	0.606	S	S	*	*			trans	-99	141.1	175	-90.2	155.6	0	0	0	110.1	F124	F124-L137 HydrophobicContact CD1-CD2 4.22Å
138	H	31.2	Very low	33	Very low	144 Å²	144	115.3 Å²	115.3	67%	0.667	63%	0.631	S	S	*	*			trans	-147.6	105.3	172.5	-139.7	70.5	0	0	0	108.2
139	N	34.5	Very low	31.8	Very low	95 Å²	95	122.9 Å²	122.9	51%	0.508	66%	0.664	S	S	.	*			trans	-76.5	130.6	173.3	-74.3	-4.3	0	0	0	109
140	Q	29.7	Very low	31.1	Very low	130 Å²	130	125.2 Å²	125.2	61%	0.607	68%	0.678	S	S	*	*			trans	-130.1	100.9	162.6	-81.4	-168.3	-46.1	0	0	107.7	Q142	Q140-Q142 PolarHBondContact O-N 3Å
141	D	30.7	Very low	31.1	Very low	104 Å²	104	127.3 Å²	127.3	56%	0.556	69%	0.69	S	S	*	*			trans	-68.8	123.6	170.3	-61.9	-43.7	0	0	0	109	F143	D141-F143 HydrophobicContact CB-CE2 4.13Å
142	Q	27.6	Very low	30.6	Very low	171 Å²	171	126 Å²	126	80%	0.799	69%	0.689	S	S	*	*			trans	-121.2	104.9	169.4	-69.9	-153	-6.7	0	0	110.3	Q140	Q140-Q142 PolarHBondContact O-N 3Å
143	F	28.3	Very low	30.4	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.772	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-85.7	118.8	169.1	-66.3	-80.7	0	0	0	109.8	D141	D141-F143 HydrophobicContact CB-CE2 4.13Å
144	G	26.1	Very low	30.4	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.4	154.8	170.6	0	0	0	0	0	112.3
145	P	24.9	Very low	30	Very low	138 Å²	138	134.7 Å²	134.7	90%	0.896	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.4	139	-177.8	29.4	-34.6	0	0	0	111.7
146	A	27.5	Very low	29.8	Very low	90 Å²	90	141 Å²	141	74%	0.744	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-77.5	138.3	174.5	0	0	0	0	0	111
147	S	25.4	Very low	30	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-80.7	124.4	171.8	54.4	0	0	0	0	110.9
148	E	30.7	Very low	30.2	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.3	135.9	175.3	-62.8	178.8	140.7	0	0	112.3
149	Q	24.4	Very low	30.8	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	77%	0.774	S	S	*	*			trans	-149.1	156.2	152.8	-88.4	-141.9	-9.3	0	0	109.9
150	P	29.8	Very low	31.4	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	79%	0.789	S	S	*	*				-103.6	162	-123.4	35	-35.4	0	0	0	117
151	N	36.3	Very low	32.5	Very low	164 Å²	164	141.7 Å²	141.7	88%	0.877	79%	0.79	S	S	*	*			trans	-19.1	124.8	171.5	-68.6	-10	0	0	0	117.3
152	M	25.2	Very low	34.3	Very low	181 Å²	181	139.9 Å²	139.9	89%	0.892	79%	0.785	S	S	*	*			trans	-118.4	149.9	145.6	-78.6	-164.4	64.9	0	0	110
153	L	29.4	Very low	36.4	Very low	167 Å²	167	140 Å²	140	87%	0.874	79%	0.786	S	S	*	*			trans	-57	144.9	-161.2	-81.7	65.2	0	0	0	114.7	A155	L153-A155 PolarHBondContact O-N 2.86Å
154	E	34.2	Very low	38.2	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	78%	0.778	S	S	*	*			trans	-57.9	118.4	163.7	-64.5	177.8	125.1	0	0	110.9
155	A	27.8	Very low	40.6	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	76%	0.758	S	S	*	*			trans	-105.4	103.2	157.7	0	0	0	0	0	107.7	L153 S157	L153-A155 PolarHBondContact O-N 2.86Å; A155-S157 VanDerWaalsContact C-N 3.34Å; A155-S157 PolarHBondContact O-N 3.41Å
156	Q	36.8	Very low	43.2	Very low	184 Å²	184	134.1 Å²	134.1	86%	0.86	74%	0.741	S	S	*	*			trans	-67	92.2	173.3	-72.3	-178.7	-14.7	0	0	109.7
157	S	35.1	Very low	46.1	Very low	88 Å²	88	135.5 Å²	135.5	62%	0.615	73%	0.732	S	S	*	*			trans	-84.6	115.8	166.5	67	0	0	0	0	109.5	A155 I159	A155-S157 VanDerWaalsContact C-N 3.34Å; A155-S157 PolarHBondContact O-N 3.41Å; S157-I159 VanDerWaalsContact C-N 3.27Å; S157-I159 PolarHBondContact O-N 2.95Å
158	T	38.7	Very low	49.2	Very low	144 Å²	144	130.9 Å²	130.9	88%	0.883	70%	0.698	S	S	*	*			trans	-72.8	83.5	169.6	29.8	0	0	0	0	109.4	Q160	T158-Q160 PolarHBondContact O-N 3Å
159	I	44.5	Very low	52	Low	143 Å²	143	125.2 Å²	125.2	73%	0.733	67%	0.673	S	S	*	*			trans	-69.8	112.4	174.2	-59.1	173.7	0	0	0	108.2	S157	S157-I159 VanDerWaalsContact C-N 3.27Å; S157-I159 PolarHBondContact O-N 2.95Å
160	Q	46.6	Very low	55.1	Low	176 Å²	176	118 Å²	118	82%	0.822	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-69.6	137.6	164.3	-71.7	-165.3	-32	0	0	109	T158 S162	T158-Q160 PolarHBondContact O-N 3Å; Q160-S162 PolarHBondContact O-N 3.23Å
161	P	53.3	Low	58.2	Low	95 Å²	95	115.4 Å²	115.4	62%	0.617	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.6	136.6	175	-22.2	32.9	0	0	0	110.7	S165 V166	P161-S165 WeakPolarHBondContact CB-OG 3.4Å; P161-V166 HydrophobicContact CB-CG2 3.97Å
162	S	68.4	Low	61	Low	65 Å²	65	108 Å²	108	46%	0.455	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-65.6	151	172.4	60.8	0	0	0	0	110.3	Q160 E164 S165 V166	Q160-S162 PolarHBondContact O-N 3.23Å; S162-E164 VanDerWaalsContact C-N 3.25Å; S162-E164 PolarHBondContact O-N 2.91Å; S162-S165 PolarHBondContact N-OG 3.36Å; S162-S165 VanDerWaalsContact N-OG 3.16Å; S162-S165 WeakPolarHBondContact O-CA 3.39Å; S162-S165 WeakPolarHBondContact O-CB 3.06Å; S162-S165 PolarHBondContact O-N 2.83Å; S162-S165 PolarHBondContact O-OG 3.36Å; S162-S165 WeakPolarHBondContact OG-CB 3.3Å; S162-S165 PolarHBondContact OG-N 2.75Å; S162-S165 PolarHBondContact OG-OG 3.32Å; S162-V166 PolarHBondContact O-N 2.71Å; S162-V166 VanDerWaalsContact O-N 3.13Å
163	E	70.6	Confident	64.2	Low	175 Å²	175	105.9 Å²	105.9	82%	0.818	57%	0.574	S	S	*	*	H	α-helix	trans	-54.1	-43.6	178	-170.9	168.9	-168.5	0	0	111.8	S165 V166 E167	E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.78Å; E163-V166 PolarHBondContact O-N 3.46Å; E163-V166 VanDerWaalsContact O-N 3.08Å; E163-E167 PolarHBondContact O-N 2.77Å
164	E	67.3	Low	67.4	Low	130 Å²	130	103.2 Å²	103.2	61%	0.607	56%	0.557	S	S	*	*	H	α-helix	trans	-53	-42.2	171.2	-174.7	-176	-178.6	0	0	113.1	S162 L168	S162-E164 VanDerWaalsContact C-N 3.25Å; S162-E164 PolarHBondContact O-N 2.91Å; E164-L168 VanDerWaalsContact O-CB 3.31Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 2.88Å
165	S	75.8	Confident	70.4	Confident	37 Å²	37	94.8 Å²	94.8	26%	0.259	52%	0.518	S	S	.	.	H	α-helix	trans	-71.1	-31.5	178.3	73.3	0	0	0	0	112.9	P161 S162 E163 L169	P161-S165 WeakPolarHBondContact CB-OG 3.4Å; S162-S165 PolarHBondContact N-OG 3.36Å; S162-S165 VanDerWaalsContact N-OG 3.16Å; S162-S165 WeakPolarHBondContact O-CA 3.39Å; S162-S165 WeakPolarHBondContact O-CB 3.06Å; S162-S165 PolarHBondContact O-N 2.83Å; S162-S165 PolarHBondContact O-OG 3.36Å; S162-S165 WeakPolarHBondContact OG-CB 3.3Å; S162-S165 PolarHBondContact OG-N 2.75Å; S162-S165 PolarHBondContact OG-OG 3.32Å; E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.78Å; S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 WeakPolarHBondContact O-CD1 3.26Å; S165-L169 VanDerWaalsContact O-CG 3.23Å; S165-L169 WeakPolarHBondContact O-CG 3.25Å; S165-L169 PolarHBondContact O-N 3.08Å
166	V	80	Confident	73.6	Confident	88 Å²	88	92.8 Å²	92.8	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-72.3	-42.6	176.5	178.8	0	0	0	0	110.5	P161 S162 E163 G170	P161-V166 HydrophobicContact CB-CG2 3.97Å; S162-V166 PolarHBondContact O-N 2.71Å; S162-V166 VanDerWaalsContact O-N 3.13Å; E163-V166 PolarHBondContact O-N 3.46Å; E163-V166 VanDerWaalsContact O-N 3.08Å; V166-G170 PolarHBondContact O-N 3.19Å; V166-G170 VanDerWaalsContact O-N 3.07Å
167	E	88.6	Confident	76.3	Confident	119 Å²	119	89.9 Å²	89.9	56%	0.556	49%	0.488	S	S	*	.	H	α-helix	trans	-63.3	-50	176.6	-168.7	-176.1	161.2	0	0	111.4	E163 L169 G170 Q171	E163-E167 PolarHBondContact O-N 2.77Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.05Å; E167-G170 CarbonylContact O-C 3.27Å; E167-G170 WeakPolarHBondContact O-CA 3.11Å; E167-G170 PolarHBondContact O-N 3.03Å; E167-Q171 HydrophobicContact CG-CG 4.45Å; E167-Q171 PolarHBondContact O-N 3.42Å; E167-Q171 PolarHBondContact OE1-NE2 3.28Å
168	L	90.1	Very high	79.2	Confident	23 Å²	23	91.8 Å²	91.8	12%	0.12	48%	0.482	C	S	.	.	H	α-helix	trans	-56	-43.6	178.3	177.5	66.5	0	0	0	112.3	E164 G170 Q171 F172 L193 F196 H197	E164-L168 VanDerWaalsContact O-CB 3.31Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 2.88Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 2.84Å; L168-Q171 PolarHBondContact O-N 3.14Å; L168-F172 WeakPolarHBondContact O-CB 3.08Å; L168-F172 PolarHBondContact O-N 2.95Å; L168-L193 HydrophobicContact CD2-CD1 4.39Å; L168-L193 HydrophobicContact CG-CD1 4.08Å; L168-F196 HydrophobicContact CD1-CD1 4.04Å; L168-F196 HydrophobicContact CD1-CE1 4.18Å; L168-H197 HydrophobicContact CD1-CB 3.84Å; L168-H197 HydrophobicContact CD2-CB 3.86Å; L168-H197 WeakPolarHBondContact CD2-ND1 3.19Å; L168-H197 HydrophobicContact CG-CB 4.48Å
169	L	88.4	Confident	81.9	Confident	74 Å²	74	86.7 Å²	86.7	39%	0.387	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-32.3	174.9	-76.4	170.2	0	0	0	112.6	S165 E167 K173 L193	S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 WeakPolarHBondContact O-CD1 3.26Å; S165-L169 VanDerWaalsContact O-CG 3.23Å; S165-L169 WeakPolarHBondContact O-CG 3.25Å; S165-L169 PolarHBondContact O-N 3.08Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.05Å; L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 WeakPolarHBondContact O-CD 3.39Å; L169-K173 VanDerWaalsContact O-CG 3.24Å; L169-K173 WeakPolarHBondContact O-CG 3.24Å; L169-K173 PolarHBondContact O-N 2.67Å; L169-L193 HydrophobicContact CD2-CD1 4.29Å; L169-L193 HydrophobicContact CD2-CD2 3.55Å
170	G	90.3	Very high	84.3	Confident	39 Å²	39	86.6 Å²	86.6	40%	0.402	45%	0.447	S	S	.	.	H	α-helix	trans	-66.2	-52	172.4	0	0	0	0	0	112	V166 E167 L168 F172 K173 E174	V166-G170 PolarHBondContact O-N 3.19Å; V166-G170 VanDerWaalsContact O-N 3.07Å; E167-G170 CarbonylContact O-C 3.27Å; E167-G170 WeakPolarHBondContact O-CA 3.11Å; E167-G170 PolarHBondContact O-N 3.03Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 2.84Å; G170-F172 VanDerWaalsContact C-N 3.33Å; G170-F172 PolarHBondContact O-N 2.65Å; G170-K173 PolarHBondContact O-N 2.67Å; G170-E174 PolarHBondContact O-N 3.09Å
171	Q	95.5	Very high	86.5	Confident	57 Å²	57	80.3 Å²	80.3	27%	0.266	42%	0.417	S	S	.	.	H	α-helix	trans	-60	-41.2	178.1	-63.8	-174	20.5	0	0	112	E167 L168 E174 F175 F196	E167-Q171 HydrophobicContact CG-CG 4.45Å; E167-Q171 PolarHBondContact O-N 3.42Å; E167-Q171 PolarHBondContact OE1-NE2 3.28Å; L168-Q171 PolarHBondContact O-N 3.14Å; Q171-E174 PolarHBondContact O-N 3.25Å; Q171-F175 WeakPolarHBondContact O-CB 3.35Å; Q171-F175 PolarHBondContact O-N 3.03Å; Q171-F196 HydrophobicContact CB-CE1 4.1Å; Q171-F196 HydrophobicContact CB-CZ 4.24Å
172	F	94.7	Very high	88.3	Confident	9 Å²	9	81.6 Å²	81.6	4%	0.039	42%	0.423	C	S	.	.	H	α-helix	trans	-65.7	-40.6	177.2	-174.2	-119.2	0	0	0	112.4	L168 G170 F175 M176 Y183 R192 L193 F196	L168-F172 WeakPolarHBondContact O-CB 3.08Å; L168-F172 PolarHBondContact O-N 2.95Å; G170-F172 VanDerWaalsContact C-N 3.33Å; G170-F172 PolarHBondContact O-N 2.65Å; F172-F175 AromaticContact CD2-CD1 3.76Å; F172-F175 HydrophobicContact CD2-CD1 3.76Å; F172-F175 HydrophobicContact CD2-CE1 4.32Å; F172-F175 AromaticContact CE2-CD1 3.86Å; F172-F175 HydrophobicContact CE2-CD1 3.86Å; F172-F175 AromaticContact CE2-CE1 3.97Å; F172-F175 HydrophobicContact CE2-CE1 3.97Å; F172-F175 WeakPolarHBondContact O-CB 3.28Å; F172-F175 PolarHBondContact O-N 2.85Å; F172-M176 HydrophobicContact CD1-CG 4.44Å; F172-M176 HydrophobicContact CD1-SD 3.87Å; F172-M176 HydrophobicContact CE1-CG 4.25Å; F172-M176 HydrophobicContact CE1-SD 3.61Å; F172-M176 HydrophobicContact CZ-CG 4.29Å; F172-M176 HydrophobicContact CZ-SD 4.16Å; F172-M176 VanDerWaalsContact O-CG 3.31Å; F172-M176 WeakPolarHBondContact O-CG 3.35Å; F172-M176 PolarHBondContact O-N 3.24Å; F172-Y183 HydrophobicContact CE1-CE2 4.11Å; F172-Y183 HydrophobicContact CE2-CE2 4.36Å; F172-Y183 HydrophobicContact CZ-CD2 4.45Å; F172-Y183 AromaticContact CZ-CE2 3.51Å; F172-Y183 HydrophobicContact CZ-CE2 3.51Å; F172-R192 HydrophobicContact CE2-CB 4.39Å; F172-R192 HydrophobicContact CZ-CB 3.9Å; F172-L193 HydrophobicContact CB-CD1 3.58Å; F172-L193 HydrophobicContact CD1-CB 4.01Å; F172-L193 HydrophobicContact CD1-CD1 3.7Å; F172-L193 HydrophobicContact CD1-CG 4.38Å; F172-L193 HydrophobicContact CD2-CD1 4.24Å; F172-L193 HydrophobicContact CE1-CB 3.83Å; F172-L193 HydrophobicContact CE1-CD1 4.39Å; F172-L193 HydrophobicContact CE2-CB 4.49Å; F172-L193 HydrophobicContact CG-CB 4.4Å; F172-L193 HydrophobicContact CG-CD1 3.58Å; F172-L193 HydrophobicContact CZ-CB 4.08Å; F172-F196 HydrophobicContact CB-CD1 4.06Å; F172-F196 HydrophobicContact CB-CE1 4.12Å; F172-F196 HydrophobicContact CD2-CB 3.69Å; F172-F196 AromaticContact CD2-CD1 3.82Å; F172-F196 HydrophobicContact CD2-CD1 3.82Å; F172-F196 AromaticContact CD2-CD2 3.93Å; F172-F196 HydrophobicContact CD2-CD2 3.93Å; F172-F196 HydrophobicContact CD2-CE1 4.44Å; F172-F196 AromaticContact CD2-CG 3.54Å; F172-F196 HydrophobicContact CD2-CG 3.54Å; F172-F196 HydrophobicContact CE2-CB 3.87Å; F172-F196 HydrophobicContact CE2-CD2 4.49Å; F172-F196 HydrophobicContact CE2-CG 4.17Å; F172-F196 HydrophobicContact CG-CD1 4.38Å
173	K	91.9	Very high	89.4	Confident	137 Å²	137	80 Å²	80	60%	0.596	41%	0.407	S	S	*	.	H	α-helix	trans	-62.9	-41.7	173.9	-75.8	169.9	-176.1	174.9	0	112	L169 G170 M176 V177	L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 WeakPolarHBondContact O-CD 3.39Å; L169-K173 VanDerWaalsContact O-CG 3.24Å; L169-K173 WeakPolarHBondContact O-CG 3.24Å; L169-K173 PolarHBondContact O-N 2.67Å; G170-K173 PolarHBondContact O-N 2.67Å; K173-M176 PolarHBondContact O-N 2.6Å; K173-V177 WeakPolarHBondContact O-CG2 3.43Å; K173-V177 PolarHBondContact O-N 3.37Å
174	E	96	Very high	90.4	Very high	110 Å²	110	77 Å²	77	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-43.9	175	-169.1	-175.2	176.7	0	0	111.3	G170 Q171 M176 V177 R178	G170-E174 PolarHBondContact O-N 3.09Å; Q171-E174 PolarHBondContact O-N 3.25Å; E174-M176 VanDerWaalsContact C-N 3.34Å; E174-M176 PolarHBondContact O-N 2.91Å; E174-V177 PolarHBondContact O-N 3.49Å; E174-R178 WeakPolarHBondContact O-CB 3.45Å; E174-R178 PolarHBondContact O-N 3.41Å; E174-R178 IonicContact OE1-CZ 2.99Å; E174-R178 IonicContact OE1-NE 3.33Å; E174-R178 IonicContact OE1-NH2 2.64Å; E174-R178 PolarHBondContact OE1-NH2 3.32Å; E174-R178 IonicContact OE2-NH2 3.94Å
175	F	97.1	Very high	91.4	Very high	4 Å²	4	73 Å²	73	2%	0.018	39%	0.392	C	S	.	.	H	α-helix	trans	-55.7	-46.3	173.3	160.2	-99.2	0	0	0	112.2	Q171 F172 V177 R178 Y179 K181 F196 V218 T219 D223	Q171-F175 WeakPolarHBondContact O-CB 3.35Å; Q171-F175 PolarHBondContact O-N 3.03Å; F172-F175 AromaticContact CD2-CD1 3.76Å; F172-F175 HydrophobicContact CD2-CD1 3.76Å; F172-F175 HydrophobicContact CD2-CE1 4.32Å; F172-F175 AromaticContact CE2-CD1 3.86Å; F172-F175 HydrophobicContact CE2-CD1 3.86Å; F172-F175 AromaticContact CE2-CE1 3.97Å; F172-F175 HydrophobicContact CE2-CE1 3.97Å; F172-F175 WeakPolarHBondContact O-CB 3.28Å; F172-F175 PolarHBondContact O-N 2.85Å; F175-V177 PolarHBondContact O-N 2.76Å; F175-R178 PolarHBondContact O-N 3.1Å; F175-Y179 AromaticContact CD2-CD2 3.42Å; F175-Y179 HydrophobicContact CD2-CD2 3.42Å; F175-Y179 VanDerWaalsContact CD2-CD2 3.42Å; F175-Y179 AromaticContact CD2-CE2 3.8Å; F175-Y179 HydrophobicContact CD2-CE2 3.8Å; F175-Y179 AromaticContact CE2-CD2 3.6Å; F175-Y179 HydrophobicContact CE2-CD2 3.6Å; F175-Y179 HydrophobicContact CE2-CE2 4.15Å; F175-Y179 HydrophobicContact CE2-CG 4.45Å; F175-Y179 HydrophobicContact CG-CD2 4.4Å; F175-Y179 WeakPolarHBondContact O-CD2 3.26Å; F175-Y179 PolarHBondContact O-N 3.44Å; F175-K181 HydrophobicContact CE1-CG 3.83Å; F175-K181 HydrophobicContact CZ-CD 4.25Å; F175-K181 HydrophobicContact CZ-CG 3.9Å; F175-F196 HydrophobicContact CB-CD2 4.34Å; F175-F196 HydrophobicContact CB-CE2 3.57Å; F175-F196 HydrophobicContact CB-CZ 4Å; F175-F196 AromaticContact CD1-CD2 3.86Å; F175-F196 HydrophobicContact CD1-CD2 3.86Å; F175-F196 AromaticContact CD1-CE2 3.95Å; F175-F196 HydrophobicContact CD1-CE2 3.95Å; F175-F196 HydrophobicContact CD2-CD2 4.25Å; F175-F196 AromaticContact CD2-CE2 3.86Å; F175-F196 HydrophobicContact CD2-CE2 3.86Å; F175-F196 HydrophobicContact CE1-CD2 4.24Å; F175-F196 AromaticContact CG-CD2 3.87Å; F175-F196 HydrophobicContact CG-CD2 3.87Å; F175-F196 AromaticContact CG-CE2 3.49Å; F175-F196 HydrophobicContact CG-CE2 3.49Å; F175-F196 VanDerWaalsContact CG-CE2 3.49Å; F175-F196 HydrophobicContact CG-CZ 4.39Å; F175-V218 HydrophobicContact CB-CG1 4.12Å; F175-V218 HydrophobicContact CD2-CG1 3.53Å; F175-V218 HydrophobicContact CE2-CG1 4.42Å; F175-V218 HydrophobicContact CG-CG1 4.2Å; F175-T219 VanDerWaalsContact CE2-O 3.25Å; F175-T219 WeakPolarHBondContact CE2-O 3.47Å; F175-D223 HydrophobicContact CE1-CB 3.67Å; F175-D223 HydrophobicContact CZ-CB 3.67Å; F175-D223 VanDerWaalsContact CZ-CG 3.47Å
176	M	95.6	Very high	91.7	Very high	51 Å²	51	77.2 Å²	77.2	25%	0.251	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-45.4	178	-71	174.3	70.3	0	0	111.9	F172 K173 E174 N180 K181 Y183	F172-M176 HydrophobicContact CD1-CG 4.44Å; F172-M176 HydrophobicContact CD1-SD 3.87Å; F172-M176 HydrophobicContact CE1-CG 4.25Å; F172-M176 HydrophobicContact CE1-SD 3.61Å; F172-M176 HydrophobicContact CZ-CG 4.29Å; F172-M176 HydrophobicContact CZ-SD 4.16Å; F172-M176 VanDerWaalsContact O-CG 3.31Å; F172-M176 WeakPolarHBondContact O-CG 3.35Å; F172-M176 PolarHBondContact O-N 3.24Å; K173-M176 PolarHBondContact O-N 2.6Å; E174-M176 VanDerWaalsContact C-N 3.34Å; E174-M176 PolarHBondContact O-N 2.91Å; M176-N180 CarbonylContact O-C 3.6Å; M176-N180 WeakPolarHBondContact O-CA 3.4Å; M176-N180 PolarHBondContact O-N 2.82Å; M176-K181 HydrophobicContact CB-CB 4.21Å; M176-K181 HydrophobicContact CG-CB 4.14Å; M176-K181 PolarHBondContact O-N 2.8Å; M176-Y183 HydrophobicContact CE-CD2 3.83Å; M176-Y183 HydrophobicContact CE-CE2 3.81Å; M176-Y183 HydrophobicContact CG-CE2 3.98Å; M176-Y183 HydrophobicContact SD-CD2 4.44Å; M176-Y183 HydrophobicContact SD-CE2 3.96Å
177	V	95.1	Very high	92.2	Very high	124 Å²	124	79.4 Å²	79.4	75%	0.752	41%	0.412	S	S	*	.	H	α-helix	trans	-65.3	-46.3	177.1	172.7	0	0	0	0	111	K173 E174 F175 Y179 N180	K173-V177 WeakPolarHBondContact O-CG2 3.43Å; K173-V177 PolarHBondContact O-N 3.37Å; E174-V177 PolarHBondContact O-N 3.49Å; F175-V177 PolarHBondContact O-N 2.76Å; V177-Y179 VanDerWaalsContact C-N 3.34Å; V177-Y179 PolarHBondContact O-N 3.23Å; V177-N180 PolarHBondContact O-N 3.04Å
178	R	95.3	Very high	92.2	Very high	128 Å²	128	76.1 Å²	76.1	48%	0.483	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-36.4	-175.5	-174	-178.6	-67.7	-176.5	-1.6	113.1	E174 F175	E174-R178 WeakPolarHBondContact O-CB 3.45Å; E174-R178 PolarHBondContact O-N 3.41Å; E174-R178 IonicContact OE1-CZ 2.99Å; E174-R178 IonicContact OE1-NE 3.33Å; E174-R178 IonicContact OE1-NH2 2.64Å; E174-R178 PolarHBondContact OE1-NH2 3.32Å; E174-R178 IonicContact OE2-NH2 3.94Å; F175-R178 PolarHBondContact O-N 3.1Å
179	Y	94.9	Very high	92.1	Very high	36 Å²	36	75.9 Å²	75.9	14%	0.141	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	19.2	-178.6	-57.4	-70.2	0	0	0	113.6	F175 V177 K181 V218 T219 K220 R399	F175-Y179 AromaticContact CD2-CD2 3.42Å; F175-Y179 HydrophobicContact CD2-CD2 3.42Å; F175-Y179 VanDerWaalsContact CD2-CD2 3.42Å; F175-Y179 AromaticContact CD2-CE2 3.8Å; F175-Y179 HydrophobicContact CD2-CE2 3.8Å; F175-Y179 AromaticContact CE2-CD2 3.6Å; F175-Y179 HydrophobicContact CE2-CD2 3.6Å; F175-Y179 HydrophobicContact CE2-CE2 4.15Å; F175-Y179 HydrophobicContact CE2-CG 4.45Å; F175-Y179 HydrophobicContact CG-CD2 4.4Å; F175-Y179 WeakPolarHBondContact O-CD2 3.26Å; F175-Y179 PolarHBondContact O-N 3.44Å; V177-Y179 VanDerWaalsContact C-N 3.34Å; V177-Y179 PolarHBondContact O-N 3.23Å; Y179-K181 VanDerWaalsContact C-N 3.28Å; Y179-K181 PolarHBondContact O-N 2.8Å; Y179-V218 HydrophobicContact CE2-CG1 4.15Å; Y179-V218 PolarHBondContact OH-O 3.11Å; Y179-T219 WeakPolarHBondContact OH-CA 3.39Å; Y179-K220 HydrophobicContact CD1-CB 3.5Å; Y179-K220 VanDerWaalsContact CD1-CB 3.5Å; Y179-K220 HydrophobicContact CD2-CB 4.42Å; Y179-K220 HydrophobicContact CE1-CB 3.88Å; Y179-K220 HydrophobicContact CG-CB 3.77Å; Y179-R399 PolarHBondContact OH-NH1 3.26Å
180	N	94.5	Very high	91.9	Very high	141 Å²	141	75.7 Å²	75.7	75%	0.754	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	45	177.2	-167.1	47.9	0	0	0	113.7	M176 V177	M176-N180 CarbonylContact O-C 3.6Å; M176-N180 WeakPolarHBondContact O-CA 3.4Å; M176-N180 PolarHBondContact O-N 2.82Å; V177-N180 PolarHBondContact O-N 3.04Å
181	K	93.6	Very high	92.1	Very high	44 Å²	44	78.8 Å²	78.8	19%	0.191	40%	0.403	C	S	.	.			trans	-80.9	129.5	-179.5	-58.5	-70.7	-174.6	142.8	0	110.4	F175 M176 Y179 Y183 K220 D223	F175-K181 HydrophobicContact CE1-CG 3.83Å; F175-K181 HydrophobicContact CZ-CD 4.25Å; F175-K181 HydrophobicContact CZ-CG 3.9Å; M176-K181 HydrophobicContact CB-CB 4.21Å; M176-K181 HydrophobicContact CG-CB 4.14Å; M176-K181 PolarHBondContact O-N 2.8Å; Y179-K181 VanDerWaalsContact C-N 3.28Å; Y179-K181 PolarHBondContact O-N 2.8Å; K181-Y183 HydrophobicContact CB-CE1 4.4Å; K181-Y183 HydrophobicContact CB-CE2 4.34Å; K181-K220 WeakPolarHBondContact CE-O 3.37Å; K181-K220 PolarHBondContact NZ-O 3.09Å; K181-D223 WeakPolarHBondContact CD-OD2 3.26Å; K181-D223 WeakPolarHBondContact CE-OD2 3.31Å; K181-D223 IonicContact NZ-OD1 3.13Å; K181-D223 PolarHBondContact NZ-OD1 2.99Å; K181-D223 IonicContact NZ-OD2 2.89Å; K181-D223 PolarHBondContact NZ-OD2 3.18Å
182	V	90.6	Very high	92.1	Very high	123 Å²	123	77.7 Å²	77.7	75%	0.745	40%	0.396	S	S	*	.			trans	-131.2	129.9	173.6	-177	0	0	0	0	107.2
183	Y	92.7	Very high	92	Very high	31 Å²	31	78.6 Å²	78.6	12%	0.122	40%	0.401	C	S	.	.			trans	-108.6	147.2	179.7	-54.8	-58.1	0	0	0	109.8	F172 M176 K181 E188 A189 R192 D223	F172-Y183 HydrophobicContact CE1-CE2 4.11Å; F172-Y183 HydrophobicContact CE2-CE2 4.36Å; F172-Y183 HydrophobicContact CZ-CD2 4.45Å; F172-Y183 AromaticContact CZ-CE2 3.51Å; F172-Y183 HydrophobicContact CZ-CE2 3.51Å; M176-Y183 HydrophobicContact CE-CD2 3.83Å; M176-Y183 HydrophobicContact CE-CE2 3.81Å; M176-Y183 HydrophobicContact CG-CE2 3.98Å; M176-Y183 HydrophobicContact SD-CD2 4.44Å; M176-Y183 HydrophobicContact SD-CE2 3.96Å; K181-Y183 HydrophobicContact CB-CE1 4.4Å; K181-Y183 HydrophobicContact CB-CE2 4.34Å; Y183-E188 HydrophobicContact CD1-CG 4.16Å; Y183-E188 HydrophobicContact CG-CG 4.38Å; Y183-A189 HydrophobicContact CD2-CB 3.85Å; Y183-A189 HydrophobicContact CG-CB 4.34Å; Y183-R192 HydrophobicContact CD1-CB 4.35Å; Y183-R192 HydrophobicContact CD1-CG 3.74Å; Y183-R192 HydrophobicContact CE1-CB 3.86Å; Y183-R192 HydrophobicContact CE1-CG 3.47Å; Y183-R192 VanDerWaalsContact CE1-CG 3.47Å; Y183-R192 HydrophobicContact CE2-CB 4.03Å; Y183-R192 HydrophobicContact CE2-CG 4.47Å; Y183-R192 HydrophobicContact CG-CG 4.36Å; Y183-D223 PolarHBondContact OH-OD2 2.94Å
184	S	89.9	Confident	92	Very high	111 Å²	111	78.4 Å²	78.4	78%	0.776	40%	0.403	S	S	*	.	S	Bend	trans	-75.7	-24.2	-171.6	62.8	0	0	0	0	113.7	E188	S184-E188 WeakPolarHBondContact CB-OE2 3.39Å; S184-E188 PolarHBondContact N-OE2 2.85Å; S184-E188 PolarHBondContact OG-OE2 3.23Å
185	S	88.6	Confident	92	Very high	48 Å²	48	74.3 Å²	74.3	34%	0.336	38%	0.384	S	S	.	.	S	Bend	trans	-148.7	170.4	177.7	87.5	0	0	0	0	112	E187 E188 A189	S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 WeakPolarHBondContact CB-OE2 3.23Å; S185-E187 PolarHBondContact OG-N 3.03Å; S185-E187 PolarHBondContact OG-OE2 2.86Å; S185-E188 PolarHBondContact O-N 2.77Å; S185-E188 PolarHBondContact OG-N 3.25Å; S185-A189 PolarHBondContact O-N 2.87Å; S185-A189 VanDerWaalsContact O-N 3.09Å
186	Q	83.5	Confident	92	Very high	124 Å²	124	74.1 Å²	74.1	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-66.5	-37.7	175.3	-175.1	61.5	50.4	0	0	111.1	E188 A189 D190	Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.97Å; Q186-A189 WeakPolarHBondContact O-CB 3.27Å; Q186-A189 PolarHBondContact O-N 2.79Å; Q186-A189 VanDerWaalsContact O-N 3.11Å; Q186-D190 PolarHBondContact NE2-OD1 3.4Å; Q186-D190 WeakPolarHBondContact O-CB 3.42Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 2.83Å
187	E	89.2	Confident	91.9	Very high	135 Å²	135	73.9 Å²	73.9	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-63.4	-37.3	178	-55.3	76.7	-169.8	0	0	111.5	S185 M191	S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 WeakPolarHBondContact CB-OE2 3.23Å; S185-E187 PolarHBondContact OG-N 3.03Å; S185-E187 PolarHBondContact OG-OE2 2.86Å; E187-M191 WeakPolarHBondContact O-CB 3.5Å; E187-M191 PolarHBondContact O-N 2.83Å; E187-M191 VanDerWaalsContact O-N 3.1Å
188	E	89.8	Confident	91.8	Very high	50 Å²	50	71 Å²	71	23%	0.234	36%	0.36	C	S	.	.	H	α-helix	trans	-66.4	-45.6	170.5	-174.2	-177.4	-175.7	0	0	111.1	Y183 S184 S185 Q186 D190 M191 R192	Y183-E188 HydrophobicContact CD1-CG 4.16Å; Y183-E188 HydrophobicContact CG-CG 4.38Å; S184-E188 WeakPolarHBondContact CB-OE2 3.39Å; S184-E188 PolarHBondContact N-OE2 2.85Å; S184-E188 PolarHBondContact OG-OE2 3.23Å; S185-E188 PolarHBondContact O-N 2.77Å; S185-E188 PolarHBondContact OG-N 3.25Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.97Å; E188-D190 VanDerWaalsContact C-N 3.33Å; E188-D190 PolarHBondContact O-N 3.08Å; E188-M191 PolarHBondContact O-N 3.18Å; E188-R192 HydrophobicContact CG-CG 4.06Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 WeakPolarHBondContact O-CG 3.29Å; E188-R192 PolarHBondContact O-N 2.84Å; E188-R192 IonicContact OE1-NE 3.91Å
189	A	87.4	Confident	91.8	Very high	17 Å²	17	65.7 Å²	65.7	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-40.8	178.9	0	0	0	0	0	112.5	Y183 S185 Q186 R192 L193	Y183-A189 HydrophobicContact CD2-CB 3.85Å; Y183-A189 HydrophobicContact CG-CB 4.34Å; S185-A189 PolarHBondContact O-N 2.87Å; S185-A189 VanDerWaalsContact O-N 3.09Å; Q186-A189 WeakPolarHBondContact O-CB 3.27Å; Q186-A189 PolarHBondContact O-N 2.79Å; Q186-A189 VanDerWaalsContact O-N 3.11Å; A189-R192 PolarHBondContact O-N 2.78Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 PolarHBondContact O-N 2.75Å
190	D	84.9	Confident	91.8	Very high	71 Å²	71	65 Å²	65	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-66.8	-40.5	177.1	-67.7	-17.3	0	0	0	111.5	Q186 E188 L193 Q194	Q186-D190 PolarHBondContact NE2-OD1 3.4Å; Q186-D190 WeakPolarHBondContact O-CB 3.42Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 2.83Å; E188-D190 VanDerWaalsContact C-N 3.33Å; E188-D190 PolarHBondContact O-N 3.08Å; D190-L193 PolarHBondContact O-N 3.28Å; D190-Q194 WeakPolarHBondContact O-CG 3.14Å; D190-Q194 PolarHBondContact O-N 3.27Å; D190-Q194 VanDerWaalsContact O-N 3.1Å
191	M	92.6	Very high	91.8	Very high	104 Å²	104	62.5 Å²	62.5	51%	0.512	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-44.9	173.1	-173.4	-170	-56.8	0	0	111.4	E187 E188 L193 Q194 I195	E187-M191 WeakPolarHBondContact O-CB 3.5Å; E187-M191 PolarHBondContact O-N 2.83Å; E187-M191 VanDerWaalsContact O-N 3.1Å; E188-M191 PolarHBondContact O-N 3.18Å; M191-L193 VanDerWaalsContact C-N 3.34Å; M191-L193 PolarHBondContact O-N 3.01Å; M191-Q194 WeakPolarHBondContact O-CB 3.03Å; M191-Q194 PolarHBondContact O-N 3.08Å; M191-I195 HydrophobicContact CG-CD1 4.04Å; M191-I195 VanDerWaalsContact O-CG1 3.32Å; M191-I195 WeakPolarHBondContact O-CG1 3.37Å; M191-I195 PolarHBondContact O-N 3.01Å
192	R	96.3	Very high	91.6	Very high	33 Å²	33	60.6 Å²	60.6	13%	0.125	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-35	179.7	-67.9	-80.2	175.7	-138.9	-7	111.9	F172 Y183 E188 A189 I195 F196 D223 E228	F172-R192 HydrophobicContact CE2-CB 4.39Å; F172-R192 HydrophobicContact CZ-CB 3.9Å; Y183-R192 HydrophobicContact CD1-CB 4.35Å; Y183-R192 HydrophobicContact CD1-CG 3.74Å; Y183-R192 HydrophobicContact CE1-CB 3.86Å; Y183-R192 HydrophobicContact CE1-CG 3.47Å; Y183-R192 VanDerWaalsContact CE1-CG 3.47Å; Y183-R192 HydrophobicContact CE2-CB 4.03Å; Y183-R192 HydrophobicContact CE2-CG 4.47Å; Y183-R192 HydrophobicContact CG-CG 4.36Å; E188-R192 HydrophobicContact CG-CG 4.06Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 WeakPolarHBondContact O-CG 3.29Å; E188-R192 PolarHBondContact O-N 2.84Å; E188-R192 IonicContact OE1-NE 3.91Å; A189-R192 PolarHBondContact O-N 2.78Å; R192-I195 PolarHBondContact O-N 3.05Å; R192-F196 VanDerWaalsContact O-CB 3.23Å; R192-F196 WeakPolarHBondContact O-CB 3.49Å; R192-F196 PolarHBondContact O-N 3.28Å; R192-D223 HydrophobicContact CB-CB 4.33Å; R192-D223 VanDerWaalsContact CD-O 3.26Å; R192-D223 WeakPolarHBondContact CD-O 3.3Å; R192-D223 PolarHBondContact NH1-O 2.94Å; R192-E228 IonicContact CZ-OE1 2.71Å; R192-E228 VanDerWaalsContact CZ-OE1 3.23Å; R192-E228 VanDerWaalsContact NH1-CD 3.29Å; R192-E228 IonicContact NH1-OE1 2.89Å; R192-E228 PolarHBondContact NH1-OE1 3.34Å; R192-E228 IonicContact NH1-OE2 3.2Å; R192-E228 PolarHBondContact NH1-OE2 3.23Å; R192-E228 IonicContact NH2-OE1 3.04Å; R192-E228 PolarHBondContact NH2-OE1 3.43Å
193	L	92.6	Very high	91.8	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-43.3	170.6	174.1	65.1	0	0	0	112.1	L168 L169 F172 A189 D190 M191 F196 H197	L168-L193 HydrophobicContact CD2-CD1 4.39Å; L168-L193 HydrophobicContact CG-CD1 4.08Å; L169-L193 HydrophobicContact CD2-CD1 4.29Å; L169-L193 HydrophobicContact CD2-CD2 3.55Å; F172-L193 HydrophobicContact CB-CD1 3.58Å; F172-L193 HydrophobicContact CD1-CB 4.01Å; F172-L193 HydrophobicContact CD1-CD1 3.7Å; F172-L193 HydrophobicContact CD1-CG 4.38Å; F172-L193 HydrophobicContact CD2-CD1 4.24Å; F172-L193 HydrophobicContact CE1-CB 3.83Å; F172-L193 HydrophobicContact CE1-CD1 4.39Å; F172-L193 HydrophobicContact CE2-CB 4.49Å; F172-L193 HydrophobicContact CG-CB 4.4Å; F172-L193 HydrophobicContact CG-CD1 3.58Å; F172-L193 HydrophobicContact CZ-CB 4.08Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 PolarHBondContact O-N 2.75Å; D190-L193 PolarHBondContact O-N 3.28Å; M191-L193 VanDerWaalsContact C-N 3.34Å; M191-L193 PolarHBondContact O-N 3.01Å; L193-F196 PolarHBondContact O-N 3.28Å; L193-H197 PolarHBondContact O-N 2.9Å
194	Q	92.4	Very high	91.9	Very high	134 Å²	134	58.6 Å²	58.6	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-44.3	176.1	-70.1	172.4	22.2	0	0	111.6	D190 M191 F196 H197 E198	D190-Q194 WeakPolarHBondContact O-CG 3.14Å; D190-Q194 PolarHBondContact O-N 3.27Å; D190-Q194 VanDerWaalsContact O-N 3.1Å; M191-Q194 WeakPolarHBondContact O-CB 3.03Å; M191-Q194 PolarHBondContact O-N 3.08Å; Q194-F196 VanDerWaalsContact C-N 3.34Å; Q194-H197 PolarHBondContact O-N 2.67Å; Q194-E198 WeakPolarHBondContact O-CG 3.4Å; Q194-E198 PolarHBondContact O-N 2.89Å; Q194-E198 VanDerWaalsContact O-N 3.16Å
195	I	95.3	Very high	92	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-44.6	175.5	-64.9	161.4	0	0	0	110.4	M191 R192 H197 E198 N199 D223 T225	M191-I195 HydrophobicContact CG-CD1 4.04Å; M191-I195 VanDerWaalsContact O-CG1 3.32Å; M191-I195 WeakPolarHBondContact O-CG1 3.37Å; M191-I195 PolarHBondContact O-N 3.01Å; R192-I195 PolarHBondContact O-N 3.05Å; I195-H197 VanDerWaalsContact C-N 3.34Å; I195-H197 PolarHBondContact O-N 3.12Å; I195-E198 PolarHBondContact O-N 2.9Å; I195-N199 WeakPolarHBondContact O-CB 3.5Å; I195-N199 PolarHBondContact O-N 2.99Å; I195-D223 VanDerWaalsContact CG2-C 3.41Å; I195-D223 WeakPolarHBondContact CG2-O 3.07Å; I195-T225 HydrophobicContact CD1-CG2 3.79Å; I195-T225 HydrophobicContact CG1-CG2 3.92Å; I195-T225 HydrophobicContact CG2-CG2 4.33Å
196	F	96.6	Very high	92.1	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-56.6	-44.6	175.5	178.1	-93.2	0	0	0	112.8	L168 Q171 F172 F175 R192 L193 Q194 N199 L200 V218 S222	L168-F196 HydrophobicContact CD1-CD1 4.04Å; L168-F196 HydrophobicContact CD1-CE1 4.18Å; Q171-F196 HydrophobicContact CB-CE1 4.1Å; Q171-F196 HydrophobicContact CB-CZ 4.24Å; F172-F196 HydrophobicContact CB-CD1 4.06Å; F172-F196 HydrophobicContact CB-CE1 4.12Å; F172-F196 HydrophobicContact CD2-CB 3.69Å; F172-F196 AromaticContact CD2-CD1 3.82Å; F172-F196 HydrophobicContact CD2-CD1 3.82Å; F172-F196 AromaticContact CD2-CD2 3.93Å; F172-F196 HydrophobicContact CD2-CD2 3.93Å; F172-F196 HydrophobicContact CD2-CE1 4.44Å; F172-F196 AromaticContact CD2-CG 3.54Å; F172-F196 HydrophobicContact CD2-CG 3.54Å; F172-F196 HydrophobicContact CE2-CB 3.87Å; F172-F196 HydrophobicContact CE2-CD2 4.49Å; F172-F196 HydrophobicContact CE2-CG 4.17Å; F172-F196 HydrophobicContact CG-CD1 4.38Å; F175-F196 HydrophobicContact CB-CD2 4.34Å; F175-F196 HydrophobicContact CB-CE2 3.57Å; F175-F196 HydrophobicContact CB-CZ 4Å; F175-F196 AromaticContact CD1-CD2 3.86Å; F175-F196 HydrophobicContact CD1-CD2 3.86Å; F175-F196 AromaticContact CD1-CE2 3.95Å; F175-F196 HydrophobicContact CD1-CE2 3.95Å; F175-F196 HydrophobicContact CD2-CD2 4.25Å; F175-F196 AromaticContact CD2-CE2 3.86Å; F175-F196 HydrophobicContact CD2-CE2 3.86Å; F175-F196 HydrophobicContact CE1-CD2 4.24Å; F175-F196 AromaticContact CG-CD2 3.87Å; F175-F196 HydrophobicContact CG-CD2 3.87Å; F175-F196 AromaticContact CG-CE2 3.49Å; F175-F196 HydrophobicContact CG-CE2 3.49Å; F175-F196 VanDerWaalsContact CG-CE2 3.49Å; F175-F196 HydrophobicContact CG-CZ 4.39Å; R192-F196 VanDerWaalsContact O-CB 3.23Å; R192-F196 WeakPolarHBondContact O-CB 3.49Å; R192-F196 PolarHBondContact O-N 3.28Å; L193-F196 PolarHBondContact O-N 3.28Å; Q194-F196 VanDerWaalsContact C-N 3.34Å; F196-N199 PolarHBondContact O-N 3.43Å; F196-L200 WeakPolarHBondContact O-CB 3.36Å; F196-L200 PolarHBondContact O-N 2.79Å; F196-V218 HydrophobicContact CE2-CG1 3.76Å; F196-V218 HydrophobicContact CE2-CG2 3.93Å; F196-V218 HydrophobicContact CZ-CG1 4.33Å; F196-V218 HydrophobicContact CZ-CG2 3.86Å; F196-S222 VanDerWaalsContact CA-O 3.23Å; F196-S222 WeakPolarHBondContact CA-O 3.36Å
197	H	94.3	Very high	92.7	Very high	46 Å²	46	52.6 Å²	52.6	21%	0.213	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-44	177.7	-171.8	-169.9	0	0	0	112.6	L168 L193 Q194 I195 L200 K201	L168-H197 HydrophobicContact CD1-CB 3.84Å; L168-H197 HydrophobicContact CD2-CB 3.86Å; L168-H197 WeakPolarHBondContact CD2-ND1 3.19Å; L168-H197 HydrophobicContact CG-CB 4.48Å; L193-H197 PolarHBondContact O-N 2.9Å; Q194-H197 PolarHBondContact O-N 2.67Å; I195-H197 VanDerWaalsContact C-N 3.34Å; I195-H197 PolarHBondContact O-N 3.12Å; H197-L200 PolarHBondContact O-N 3.4Å; H197-K201 VanDerWaalsContact CD2-CE 3.41Å; H197-K201 WeakPolarHBondContact CD2-CE 3.3Å; H197-K201 WeakPolarHBondContact NE2-CE 3.31Å; H197-K201 PolarHBondContact NE2-NZ 2.8Å; H197-K201 WeakPolarHBondContact O-CG 3.46Å; H197-K201 PolarHBondContact O-N 3.4Å
198	E	93.3	Very high	92.9	Very high	64 Å²	64	50.1 Å²	50.1	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-69.5	-35.2	178.7	-62.6	-74	89.9	0	0	111.7	K98 Q194 I195 K201 T202	K98-E198 IonicContact NZ-OE2 3.2Å; K98-E198 PolarHBondContact NZ-OE2 3.25Å; Q194-E198 WeakPolarHBondContact O-CG 3.4Å; Q194-E198 PolarHBondContact O-N 2.89Å; Q194-E198 VanDerWaalsContact O-N 3.16Å; I195-E198 PolarHBondContact O-N 2.9Å; E198-K201 IonicContact OE1-NZ 3.92Å; E198-K201 PolarHBondContact OE1-NZ 2.7Å; E198-T202 PolarHBondContact O-N 2.7Å; E198-T202 VanDerWaalsContact O-N 3.09Å; E198-T202 PolarHBondContact O-OG1 2.86Å
199	N	95.9	Very high	92.9	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.08	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-33	173.9	-83.1	-24.7	0	0	0	112.9	I195 F196 T202 A203 S222 L224 F397	I195-N199 WeakPolarHBondContact O-CB 3.5Å; I195-N199 PolarHBondContact O-N 2.99Å; F196-N199 PolarHBondContact O-N 3.43Å; N199-T202 VanDerWaalsContact O-CB 3.31Å; N199-T202 WeakPolarHBondContact O-CB 3.08Å; N199-T202 PolarHBondContact O-N 2.92Å; N199-A203 PolarHBondContact O-N 2.65Å; N199-S222 VanDerWaalsContact CB-O 3.31Å; N199-S222 WeakPolarHBondContact CB-O 3.15Å; N199-S222 PolarHBondContact ND2-O 2.72Å; N199-L224 PolarHBondContact ND2-O 2.99Å; N199-F397 HydrophobicContact CB-CE1 3.86Å
200	L	95.1	Very high	93.1	Very high	23 Å²	23	51 Å²	51	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-49.6	172.4	-176.6	66.6	0	0	0	110.7	F196 H197 T202 A203 E204 V218	F196-L200 WeakPolarHBondContact O-CB 3.36Å; F196-L200 PolarHBondContact O-N 2.79Å; H197-L200 PolarHBondContact O-N 3.4Å; L200-T202 PolarHBondContact O-N 3.28Å; L200-A203 PolarHBondContact O-N 3.38Å; L200-E204 WeakPolarHBondContact O-CG 3.26Å; L200-E204 PolarHBondContact O-N 3.45Å; L200-V218 HydrophobicContact CD1-CG2 4.03Å
201	K	92.6	Very high	92.9	Very high	87 Å²	87	55.5 Å²	55.5	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-35.3	173	-64.4	169.9	-165.8	162.6	0	112.3	H197 E198 K205	H197-K201 VanDerWaalsContact CD2-CE 3.41Å; H197-K201 WeakPolarHBondContact CD2-CE 3.3Å; H197-K201 WeakPolarHBondContact NE2-CE 3.31Å; H197-K201 PolarHBondContact NE2-NZ 2.8Å; H197-K201 WeakPolarHBondContact O-CG 3.46Å; H197-K201 PolarHBondContact O-N 3.4Å; E198-K201 IonicContact OE1-NZ 3.92Å; E198-K201 PolarHBondContact OE1-NZ 2.7Å; K201-K205 VanDerWaalsContact O-CB 3.23Å; K201-K205 WeakPolarHBondContact O-CB 3.38Å; K201-K205 PolarHBondContact O-N 3.21Å
202	T	90.6	Very high	92.5	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-46.3	175.8	-53.1	0	0	0	0	111.3	M65 E198 N199 L200 K205 L206 F393 F397	M65-T202 HydrophobicContact CE-CG2 3.68Å; M65-T202 WeakPolarHBondContact CE-OG1 3.33Å; E198-T202 PolarHBondContact O-N 2.7Å; E198-T202 VanDerWaalsContact O-N 3.09Å; E198-T202 PolarHBondContact O-OG1 2.86Å; N199-T202 VanDerWaalsContact O-CB 3.31Å; N199-T202 WeakPolarHBondContact O-CB 3.08Å; N199-T202 PolarHBondContact O-N 2.92Å; L200-T202 PolarHBondContact O-N 3.28Å; T202-K205 PolarHBondContact O-N 3Å; T202-L206 WeakPolarHBondContact O-CG 3.22Å; T202-L206 PolarHBondContact O-N 2.82Å; T202-F393 HydrophobicContact CG2-CE1 4.33Å; T202-F393 HydrophobicContact CG2-CZ 4.09Å; T202-F397 HydrophobicContact CG2-CD2 4.09Å; T202-F397 HydrophobicContact CG2-CE1 4.13Å; T202-F397 HydrophobicContact CG2-CE2 3.5Å; T202-F397 HydrophobicContact CG2-CZ 3.53Å
203	A	95.4	Very high	92.4	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-43.7	177.6	0	0	0	0	0	112.1	N199 L200 K205 L206 Q207 F397	N199-A203 PolarHBondContact O-N 2.65Å; L200-A203 PolarHBondContact O-N 3.38Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.05Å; A203-L206 PolarHBondContact O-N 3.08Å; A203-Q207 WeakPolarHBondContact O-CB 3.37Å; A203-Q207 PolarHBondContact O-N 3Å; A203-F397 HydrophobicContact CB-CB 4.08Å; A203-F397 HydrophobicContact CB-CD1 4.01Å; A203-F397 HydrophobicContact CB-CG 4.29Å
204	E	93.4	Very high	92.6	Very high	110 Å²	110	52.5 Å²	52.5	51%	0.514	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-40.1	171.3	-70.3	170.6	176	0	0	111.6	L200 Q207 S208	L200-E204 WeakPolarHBondContact O-CG 3.26Å; L200-E204 PolarHBondContact O-N 3.45Å; E204-Q207 PolarHBondContact O-N 3.41Å; E204-S208 WeakPolarHBondContact O-CB 3.34Å; E204-S208 PolarHBondContact O-N 2.9Å; E204-S208 PolarHBondContact O-OG 3.17Å
205	K	91.8	Very high	92.9	Very high	87 Å²	87	49.8 Å²	49.8	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-41.5	177.9	-170.2	50.6	168.7	168	0	111.9	K201 T202 A203 S208 L209 F409	K201-K205 VanDerWaalsContact O-CB 3.23Å; K201-K205 WeakPolarHBondContact O-CB 3.38Å; K201-K205 PolarHBondContact O-N 3.21Å; T202-K205 PolarHBondContact O-N 3Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.05Å; K205-S208 PolarHBondContact O-OG 2.79Å; K205-L209 HydrophobicContact CD-CD1 4.01Å; K205-L209 HydrophobicContact CD-CG 4.48Å; K205-L209 HydrophobicContact CG-CD1 4.18Å; K205-L209 WeakPolarHBondContact O-CD1 3.11Å; K205-L209 VanDerWaalsContact O-CG 3.28Å; K205-L209 WeakPolarHBondContact O-CG 3.27Å; K205-L209 PolarHBondContact O-N 2.73Å; K205-F409 HydrophobicContact CG-CZ 4.38Å
206	L	91.8	Very high	93	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-47.4	171.2	-71.7	168.4	0	0	0	110.8	T202 A203 S208 L209 D210 Y216 F397 F409	T202-L206 WeakPolarHBondContact O-CG 3.22Å; T202-L206 PolarHBondContact O-N 2.82Å; A203-L206 PolarHBondContact O-N 3.08Å; L206-S208 PolarHBondContact O-N 3.05Å; L206-L209 CarbonylContact O-C 3.5Å; L206-L209 PolarHBondContact O-N 2.77Å; L206-L209 VanDerWaalsContact O-N 3.12Å; L206-D210 PolarHBondContact O-N 2.83Å; L206-Y216 HydrophobicContact CB-CD1 3.92Å; L206-Y216 HydrophobicContact CB-CD2 3.97Å; L206-Y216 HydrophobicContact CB-CE1 4.24Å; L206-Y216 HydrophobicContact CB-CE2 4.3Å; L206-Y216 HydrophobicContact CB-CG 3.75Å; L206-Y216 HydrophobicContact CD1-CD1 3.86Å; L206-Y216 HydrophobicContact CD1-CE1 4.16Å; L206-Y216 HydrophobicContact CD1-CG 4.46Å; L206-Y216 HydrophobicContact CG-CD1 4.46Å; L206-F397 HydrophobicContact CD1-CB 3.9Å; L206-F397 HydrophobicContact CD1-CD2 3.52Å; L206-F397 HydrophobicContact CD1-CE2 4.41Å; L206-F397 HydrophobicContact CD1-CG 3.96Å; L206-F409 HydrophobicContact CD2-CB 3.83Å; L206-F409 HydrophobicContact CD2-CD1 4.17Å; L206-F409 HydrophobicContact CD2-CD2 3.82Å; L206-F409 HydrophobicContact CD2-CE2 4.41Å; L206-F409 HydrophobicContact CD2-CG 3.69Å
207	Q	95.8	Very high	93	Very high	65 Å²	65	50 Å²	50	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-40.6	-179.5	-171.8	62.4	78.7	0	0	113.2	A203 E204 L209 D210 A214 E215	A203-Q207 WeakPolarHBondContact O-CB 3.37Å; A203-Q207 PolarHBondContact O-N 3Å; E204-Q207 PolarHBondContact O-N 3.41Å; Q207-L209 PolarHBondContact O-N 3.43Å; Q207-D210 PolarHBondContact O-N 3.38Å; Q207-A214 PolarHBondContact NE2-O 3.19Å; Q207-E215 VanDerWaalsContact OE1-CA 3.25Å
208	S	93.1	Very high	93.2	Very high	82 Å²	82	49.1 Å²	49.1	57%	0.573	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.2	178	67.1	0	0	0	0	114.5	E204 K205 L206	E204-S208 WeakPolarHBondContact O-CB 3.34Å; E204-S208 PolarHBondContact O-N 2.9Å; E204-S208 PolarHBondContact O-OG 3.17Å; K205-S208 PolarHBondContact O-OG 2.79Å; L206-S208 PolarHBondContact O-N 3.05Å
209	L	90.1	Very high	93.4	Very high	65 Å²	65	46.2 Å²	46.2	34%	0.34	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-11.1	179.5	-64.3	171.1	0	0	0	112.5	K205 L206 Q207 M406 F409	K205-L209 HydrophobicContact CD-CD1 4.01Å; K205-L209 HydrophobicContact CD-CG 4.48Å; K205-L209 HydrophobicContact CG-CD1 4.18Å; K205-L209 WeakPolarHBondContact O-CD1 3.11Å; K205-L209 VanDerWaalsContact O-CG 3.28Å; K205-L209 WeakPolarHBondContact O-CG 3.27Å; K205-L209 PolarHBondContact O-N 2.73Å; L206-L209 CarbonylContact O-C 3.5Å; L206-L209 PolarHBondContact O-N 2.77Å; L206-L209 VanDerWaalsContact O-N 3.12Å; Q207-L209 PolarHBondContact O-N 3.43Å; L209-M406 HydrophobicContact CD1-CE 3.85Å; L209-M406 HydrophobicContact CD2-CE 4.49Å; L209-F409 HydrophobicContact CD1-CE2 3.65Å; L209-F409 HydrophobicContact CD1-CZ 4.13Å
210	D	90.3	Very high	93.4	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	26%	0.258	C	S	.	.	S	Bend	trans	-68.4	149.1	170.6	-166.6	82.1	0	0	0	110.7	L206 Q207 G212 S213 A214 Y216	L206-D210 PolarHBondContact O-N 2.83Å; Q207-D210 PolarHBondContact O-N 3.38Å; D210-G212 PolarHBondContact O-N 2.03Å; D210-G212 PolarHBondContact OD2-N 3.1Å; D210-S213 PolarHBondContact OD2-N 3.05Å; D210-S213 PolarHBondContact OD2-OG 3.44Å; D210-A214 PolarHBondContact OD2-N 3.19Å; D210-Y216 HydrophobicContact CB-CD2 4.44Å; D210-Y216 HydrophobicContact CB-CE2 3.95Å
211	Q	82.5	Confident	93.5	Very high	167 Å²	167	45.8 Å²	45.8	78%	0.78	25%	0.252	S	S	*	.			trans	-88.4	18.9	-174.6	-63.1	178.8	3.6	0	0	112.6
212	G	84.1	Confident	93.8	Very high	74 Å²	74	41.8 Å²	41.8	76%	0.763	24%	0.235	S	C	*	.	S	Bend	trans	81	20.5	-174.1	0	0	0	0	0	113.1	D210	D210-G212 PolarHBondContact O-N 2.03Å; D210-G212 PolarHBondContact OD2-N 3.1Å
213	S	93.3	Very high	94.1	Very high	20 Å²	20	41.7 Å²	41.7	14%	0.14	23%	0.234	C	C	.	.	S	Bend	trans	-101.7	-25.5	-178.1	62.1	0	0	0	0	113.2	D210 G401 V402	D210-S213 PolarHBondContact OD2-N 3.05Å; D210-S213 PolarHBondContact OD2-OG 3.44Å; S213-G401 CarbonylContact O-C 3.59Å; S213-G401 VanDerWaalsContact O-CA 3.27Å; S213-G401 WeakPolarHBondContact O-CA 3.5Å; S213-V402 CarbonylContact C-O 3.41Å; S213-V402 VanDerWaalsContact CB-O 3.28Å; S213-V402 WeakPolarHBondContact CB-O 3.49Å; S213-V402 PolarHBondContact O-N 3.43Å; S213-V402 PolarHBondContact OG-O 2.79Å
214	A	96.8	Very high	94.1	Very high	8 Å²	8	42.5 Å²	42.5	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.9	177.4	0	0	0	0	0	114	Q207 D210 Y216 K400	Q207-A214 PolarHBondContact NE2-O 3.19Å; D210-A214 PolarHBondContact OD2-N 3.19Å; A214-Y216 HydrophobicContact CB-CE2 3.94Å; A214-K400 CarbonylContact C-O 3.37Å; A214-K400 WeakPolarHBondContact CA-O 3.29Å
215	E	97.9	Very high	94.1	Very high	77 Å²	77	39.8 Å²	39.8	36%	0.36	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.5	170.1	-172.6	177.7	96.7	0	0	109.8	Q207 R399 K400	Q207-E215 VanDerWaalsContact OE1-CA 3.25Å; E215-R399 HydrophobicContact CB-CB 4.15Å; E215-R399 HydrophobicContact CG-CB 4.04Å; E215-R399 HydrophobicContact CG-CG 4.37Å; E215-R399 WeakPolarHBondContact O-CB 3.48Å; E215-R399 PolarHBondContact O-N 3.01Å; E215-K400 HydrophobicContact CB-CG 3.81Å; E215-K400 PolarHBondContact N-O 3.41Å; E215-K400 PolarHBondContact O-N 3.29Å; E215-K400 IonicContact OE1-NZ 3.61Å; E215-K400 PolarHBondContact OE1-NZ 2.77Å; E215-K400 VanDerWaalsContact OE2-CE 3.31Å; E215-K400 WeakPolarHBondContact OE2-CE 3.34Å; E215-K400 IonicContact OE2-NZ 2.72Å; E215-K400 PolarHBondContact OE2-NZ 3.17Å
216	Y	97.9	Very high	93.9	Very high	13 Å²	13	37.1 Å²	37.1	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.5	170.6	-59	-94.8	0	0	0	109.5	L206 D210 A214 A394 F397 S403	L206-Y216 HydrophobicContact CB-CD1 3.92Å; L206-Y216 HydrophobicContact CB-CD2 3.97Å; L206-Y216 HydrophobicContact CB-CE1 4.24Å; L206-Y216 HydrophobicContact CB-CE2 4.3Å; L206-Y216 HydrophobicContact CB-CG 3.75Å; L206-Y216 HydrophobicContact CD1-CD1 3.86Å; L206-Y216 HydrophobicContact CD1-CE1 4.16Å; L206-Y216 HydrophobicContact CD1-CG 4.46Å; L206-Y216 HydrophobicContact CG-CD1 4.46Å; D210-Y216 HydrophobicContact CB-CD2 4.44Å; D210-Y216 HydrophobicContact CB-CE2 3.95Å; A214-Y216 HydrophobicContact CB-CE2 3.94Å; Y216-A394 HydrophobicContact CE1-CB 4.43Å; Y216-F397 CarbonylContact C-O 3.57Å; Y216-F397 VanDerWaalsContact CA-O 3.24Å; Y216-F397 WeakPolarHBondContact CA-O 3.45Å; Y216-F397 HydrophobicContact CD1-CB 4.22Å; Y216-S403 PolarHBondContact OH-OG 2.79Å
217	G	96.9	Very high	93.7	Very high	15 Å²	15	41.3 Å²	41.3	16%	0.155	24%	0.238	C	C	.	.			trans	173.9	-155.5	-177.5	0	0	0	0	0	113	T219 F397	G217-T219 PolarHBondContact O-N 2.93Å; G217-F397 PolarHBondContact N-O 3.16Å
218	V	97.6	Very high	93.6	Very high	28 Å²	28	40.7 Å²	40.7	17%	0.17	24%	0.235	C	C	.	.			trans	-69.7	116.1	-175.2	176.7	0	0	0	0	112	F175 Y179 F196 L200 S222 R399	F175-V218 HydrophobicContact CB-CG1 4.12Å; F175-V218 HydrophobicContact CD2-CG1 3.53Å; F175-V218 HydrophobicContact CE2-CG1 4.42Å; F175-V218 HydrophobicContact CG-CG1 4.2Å; Y179-V218 HydrophobicContact CE2-CG1 4.15Å; Y179-V218 PolarHBondContact OH-O 3.11Å; F196-V218 HydrophobicContact CE2-CG1 3.76Å; F196-V218 HydrophobicContact CE2-CG2 3.93Å; F196-V218 HydrophobicContact CZ-CG1 4.33Å; F196-V218 HydrophobicContact CZ-CG2 3.86Å; L200-V218 HydrophobicContact CD1-CG2 4.03Å; V218-S222 WeakPolarHBondContact CA-OG 3.39Å; V218-R399 PolarHBondContact O-NH1 3.13Å
219	T	97.7	Very high	93.7	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.208	C	C	.	.			trans	-113.1	173.6	172.7	74.9	0	0	0	0	109.8	F175 Y179 G217 F221 S222 Q396 Y398	F175-T219 VanDerWaalsContact CE2-O 3.25Å; F175-T219 WeakPolarHBondContact CE2-O 3.47Å; Y179-T219 WeakPolarHBondContact OH-CA 3.39Å; G217-T219 PolarHBondContact O-N 2.93Å; T219-F221 PolarHBondContact O-N 2.84Å; T219-F221 PolarHBondContact OG1-N 3.29Å; T219-S222 PolarHBondContact N-OG 2.82Å; T219-S222 WeakPolarHBondContact O-CB 3.24Å; T219-S222 PolarHBondContact O-N 2.99Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.39Å; T219-S222 VanDerWaalsContact O-OG 3.14Å; T219-Q396 WeakPolarHBondContact CB-O 3.32Å; T219-Q396 WeakPolarHBondContact CG2-O 3.47Å; T219-Q396 PolarHBondContact OG1-O 3.14Å; T219-Y398 WeakPolarHBondContact CG2-O 3.34Å
220	K	96.8	Very high	93.7	Very high	29 Å²	29	37 Å²	37	13%	0.126	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.4	173.6	69.6	-168.8	177.1	-177.5	0	115.3	Y179 K181 W439 D442	Y179-K220 HydrophobicContact CD1-CB 3.5Å; Y179-K220 VanDerWaalsContact CD1-CB 3.5Å; Y179-K220 HydrophobicContact CD2-CB 4.42Å; Y179-K220 HydrophobicContact CE1-CB 3.88Å; Y179-K220 HydrophobicContact CG-CB 3.77Å; K181-K220 WeakPolarHBondContact CE-O 3.37Å; K181-K220 PolarHBondContact NZ-O 3.09Å; K220-W439 WeakPolarHBondContact CE-O 3.46Å; K220-W439 PolarHBondContact NZ-O 3.05Å; K220-D442 WeakPolarHBondContact CD-OD2 3.38Å; K220-D442 WeakPolarHBondContact CE-OD2 3.45Å; K220-D442 IonicContact NZ-OD1 2.66Å; K220-D442 PolarHBondContact NZ-OD1 3.27Å; K220-D442 IonicContact NZ-OD2 3.34Å; K220-D442 PolarHBondContact NZ-OD2 2.98Å
221	F	97.9	Very high	93.6	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.5	178.2	-48.1	-63.3	0	0	0	112.9	T219 D223 L224 F229 Y233 Q396 W439 Y443	T219-F221 PolarHBondContact O-N 2.84Å; T219-F221 PolarHBondContact OG1-N 3.29Å; F221-D223 PolarHBondContact O-N 3.2Å; F221-L224 HydrophobicContact CB-CD1 4.19Å; F221-L224 HydrophobicContact CD1-CD1 3.93Å; F221-L224 WeakPolarHBondContact O-CB 3.44Å; F221-L224 PolarHBondContact O-N 3.48Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F221-F229 HydrophobicContact CB-CD2 4Å; F221-F229 HydrophobicContact CB-CE2 4.06Å; F221-F229 AromaticContact CD1-CD2 3.94Å; F221-F229 HydrophobicContact CD1-CD2 3.94Å; F221-F229 AromaticContact CD1-CE2 3.79Å; F221-F229 HydrophobicContact CD1-CE2 3.79Å; F221-F229 AromaticContact CD2-CE2 3.79Å; F221-F229 HydrophobicContact CD2-CE2 3.79Å; F221-F229 HydrophobicContact CE1-CE2 4.12Å; F221-F229 HydrophobicContact CE2-CE2 4.13Å; F221-F229 AromaticContact CG-CD2 3.91Å; F221-F229 HydrophobicContact CG-CD2 3.91Å; F221-F229 AromaticContact CG-CE2 3.6Å; F221-F229 HydrophobicContact CG-CE2 3.6Å; F221-F229 HydrophobicContact CZ-CE2 4.27Å; F221-Y233 HydrophobicContact CD1-CD2 4.35Å; F221-Y233 HydrophobicContact CD1-CE1 4.48Å; F221-Y233 HydrophobicContact CD1-CE2 4.18Å; F221-Y233 AromaticContact CE1-CD1 3.83Å; F221-Y233 HydrophobicContact CE1-CD1 3.83Å; F221-Y233 HydrophobicContact CE1-CD2 4.26Å; F221-Y233 AromaticContact CE1-CE1 3.71Å; F221-Y233 HydrophobicContact CE1-CE1 3.71Å; F221-Y233 HydrophobicContact CE1-CE2 4.18Å; F221-Y233 HydrophobicContact CE1-CG 4.1Å; F221-Y233 AromaticContact CE1-CZ 3.89Å; F221-Y233 HydrophobicContact CZ-CD1 4.48Å; F221-Q396 HydrophobicContact CB-CG 3.71Å; F221-Q396 PolarHBondContact O-NE2 2.76Å; F221-Q396 VanDerWaalsContact O-NE2 3.1Å; F221-W439 HydrophobicContact CD2-CE3 4.47Å; F221-W439 AromaticContact CE2-CD2 3.99Å; F221-W439 HydrophobicContact CE2-CD2 3.99Å; F221-W439 AromaticContact CE2-CE3 3.45Å; F221-W439 HydrophobicContact CE2-CE3 3.45Å; F221-W439 VanDerWaalsContact CE2-CE3 3.45Å; F221-W439 HydrophobicContact CE2-CG 4.48Å; F221-W439 HydrophobicContact CE2-CZ3 4.05Å; F221-W439 HydrophobicContact CZ-CB 4.09Å; F221-W439 AromaticContact CZ-CD2 3.83Å; F221-W439 HydrophobicContact CZ-CD2 3.83Å; F221-W439 AromaticContact CZ-CE3 3.8Å; F221-W439 HydrophobicContact CZ-CE3 3.8Å; F221-W439 AromaticContact CZ-CG 3.95Å; F221-W439 HydrophobicContact CZ-CG 3.95Å; F221-Y443 AromaticContact CE2-CD2 3.86Å; F221-Y443 HydrophobicContact CE2-CD2 3.86Å; F221-Y443 HydrophobicContact CE2-CE2 4.32Å
222	S	97.8	Very high	94	Very high	2 Å²	2	33 Å²	33	1%	0.014	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.2	-176.5	-66.7	0	0	0	0	114.1	F196 N199 V218 T219	F196-S222 VanDerWaalsContact CA-O 3.23Å; F196-S222 WeakPolarHBondContact CA-O 3.36Å; N199-S222 VanDerWaalsContact CB-O 3.31Å; N199-S222 WeakPolarHBondContact CB-O 3.15Å; N199-S222 PolarHBondContact ND2-O 2.72Å; V218-S222 WeakPolarHBondContact CA-OG 3.39Å; T219-S222 PolarHBondContact N-OG 2.82Å; T219-S222 WeakPolarHBondContact O-CB 3.24Å; T219-S222 PolarHBondContact O-N 2.99Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.39Å; T219-S222 VanDerWaalsContact O-OG 3.14Å
223	D	97.2	Very high	94.4	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.3	172.7	64.9	-20.1	0	0	0	114.1	F175 K181 Y183 R192 I195 F221	F175-D223 HydrophobicContact CE1-CB 3.67Å; F175-D223 HydrophobicContact CZ-CB 3.67Å; F175-D223 VanDerWaalsContact CZ-CG 3.47Å; K181-D223 WeakPolarHBondContact CD-OD2 3.26Å; K181-D223 WeakPolarHBondContact CE-OD2 3.31Å; K181-D223 IonicContact NZ-OD1 3.13Å; K181-D223 PolarHBondContact NZ-OD1 2.99Å; K181-D223 IonicContact NZ-OD2 2.89Å; K181-D223 PolarHBondContact NZ-OD2 3.18Å; Y183-D223 PolarHBondContact OH-OD2 2.94Å; R192-D223 HydrophobicContact CB-CB 4.33Å; R192-D223 VanDerWaalsContact CD-O 3.26Å; R192-D223 WeakPolarHBondContact CD-O 3.3Å; R192-D223 PolarHBondContact NH1-O 2.94Å; I195-D223 VanDerWaalsContact CG2-C 3.41Å; I195-D223 WeakPolarHBondContact CG2-O 3.07Å; F221-D223 PolarHBondContact O-N 3.2Å
224	L	96.3	Very high	94.5	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.099	16%	0.159	C	C	.	.	S	Bend	trans	-103.9	134	179.2	-56.2	-179.2	0	0	0	111.3	N199 F221 E228 F229 Y233 Q396	N199-L224 PolarHBondContact ND2-O 2.99Å; F221-L224 HydrophobicContact CB-CD1 4.19Å; F221-L224 HydrophobicContact CD1-CD1 3.93Å; F221-L224 WeakPolarHBondContact O-CB 3.44Å; F221-L224 PolarHBondContact O-N 3.48Å; F221-L224 VanDerWaalsContact O-N 3.11Å; L224-E228 HydrophobicContact CB-CB 4.3Å; L224-E228 HydrophobicContact CD2-CB 4.48Å; L224-F229 HydrophobicContact CB-CB 4.4Å; L224-F229 HydrophobicContact CD1-CD2 4.36Å; L224-Y233 HydrophobicContact CD1-CD2 4.12Å; L224-Y233 HydrophobicContact CD1-CE2 3.47Å; L224-Y233 VanDerWaalsContact CD1-CE2 3.47Å; L224-Q396 PolarHBondContact O-NE2 3.32Å
225	T	92.4	Very high	94.1	Very high	53 Å²	53	29.9 Å²	29.9	33%	0.325	16%	0.156	S	C	.	.			trans	-61.8	156	164.5	60.5	0	0	0	0	110.2	I195 E227 E228 F229	I195-T225 HydrophobicContact CD1-CG2 3.79Å; I195-T225 HydrophobicContact CG1-CG2 3.92Å; I195-T225 HydrophobicContact CG2-CG2 4.33Å; T225-E227 PolarHBondContact O-N 3.4Å; T225-E227 VanDerWaalsContact O-N 3.13Å; T225-E228 WeakPolarHBondContact CB-OE2 3.34Å; T225-E228 WeakPolarHBondContact CG2-OE2 3.38Å; T225-E228 PolarHBondContact N-OE2 3.48Å; T225-E228 PolarHBondContact O-N 3.3Å; T225-E228 WeakPolarHBondContact OG1-CB 3Å; T225-E228 VanDerWaalsContact OG1-CG 3.24Å; T225-E228 WeakPolarHBondContact OG1-CG 3.02Å; T225-E228 PolarHBondContact OG1-N 3.48Å; T225-E228 VanDerWaalsContact OG1-N 3.17Å; T225-E228 PolarHBondContact OG1-OE2 3.23Å; T225-F229 WeakPolarHBondContact O-CB 3.21Å; T225-F229 PolarHBondContact O-N 3.18Å
226	E	87.3	Confident	93.1	Very high	30 Å²	30	27.9 Å²	27.9	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-51.9	-34.8	172.3	-178.5	-175.2	168.5	0	0	112.3	N63 H66 R230 F393	N63-E226 PolarHBondContact ND2-OE1 3.48Å; N63-E226 PolarHBondContact ND2-OE2 3.43Å; H66-E226 IonicContact CE1-OE2 2.77Å; H66-E226 IonicContact CG-OE2 2.83Å; H66-E226 IonicContact ND1-OE2 2.91Å; H66-E226 PolarHBondContact ND1-OE2 3.48Å; E226-R230 WeakPolarHBondContact O-CB 3.14Å; E226-R230 PolarHBondContact O-N 3.07Å; E226-F393 HydrophobicContact CG-CE2 4.41Å
227	E	88.4	Confident	92.3	Very high	94 Å²	94	28.3 Å²	28.3	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-75.6	-41.1	-178.9	-166.1	152.6	158.5	0	0	112.6	R68 T225 S231	R68-E227 IonicContact CZ-OE2 2.83Å; R68-E227 IonicContact NH1-OE2 3.85Å; R68-E227 PolarHBondContact NH1-OE2 2.88Å; R68-E227 IonicContact NH2-OE2 3.83Å; R68-E227 PolarHBondContact NH2-OE2 3.05Å; T225-E227 PolarHBondContact O-N 3.4Å; T225-E227 VanDerWaalsContact O-N 3.13Å; E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.29Å; E227-S231 PolarHBondContact O-N 3.18Å; E227-S231 PolarHBondContact O-OG 2.89Å
228	E	93.6	Very high	91.5	Very high	52 Å²	52	28.1 Å²	28.1	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-47.3	170.7	-72.2	166.5	120.4	0	0	110.8	R192 L224 T225 R230 S231 T232	R192-E228 IonicContact CZ-OE1 2.71Å; R192-E228 VanDerWaalsContact CZ-OE1 3.23Å; R192-E228 VanDerWaalsContact NH1-CD 3.29Å; R192-E228 IonicContact NH1-OE1 2.89Å; R192-E228 PolarHBondContact NH1-OE1 3.34Å; R192-E228 IonicContact NH1-OE2 3.2Å; R192-E228 PolarHBondContact NH1-OE2 3.23Å; R192-E228 IonicContact NH2-OE1 3.04Å; R192-E228 PolarHBondContact NH2-OE1 3.43Å; L224-E228 HydrophobicContact CB-CB 4.3Å; L224-E228 HydrophobicContact CD2-CB 4.48Å; T225-E228 WeakPolarHBondContact CB-OE2 3.34Å; T225-E228 WeakPolarHBondContact CG2-OE2 3.38Å; T225-E228 PolarHBondContact N-OE2 3.48Å; T225-E228 PolarHBondContact O-N 3.3Å; T225-E228 WeakPolarHBondContact OG1-CB 3Å; T225-E228 VanDerWaalsContact OG1-CG 3.24Å; T225-E228 WeakPolarHBondContact OG1-CG 3.02Å; T225-E228 PolarHBondContact OG1-N 3.48Å; T225-E228 VanDerWaalsContact OG1-N 3.17Å; T225-E228 PolarHBondContact OG1-OE2 3.23Å; E228-R230 PolarHBondContact O-N 2.81Å; E228-S231 PolarHBondContact O-N 3.2Å; E228-S231 PolarHBondContact O-OG 3.03Å; E228-T232 WeakPolarHBondContact O-CB 3.49Å; E228-T232 PolarHBondContact O-N 3.13Å; E228-T232 PolarHBondContact O-OG1 3Å
229	F	94.6	Very high	90.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-50.7	178.8	-177.5	-113.7	0	0	0	111.4	F221 L224 T225 S231 T232 Y233 L234 Q396 W439	F221-F229 HydrophobicContact CB-CD2 4Å; F221-F229 HydrophobicContact CB-CE2 4.06Å; F221-F229 AromaticContact CD1-CD2 3.94Å; F221-F229 HydrophobicContact CD1-CD2 3.94Å; F221-F229 AromaticContact CD1-CE2 3.79Å; F221-F229 HydrophobicContact CD1-CE2 3.79Å; F221-F229 AromaticContact CD2-CE2 3.79Å; F221-F229 HydrophobicContact CD2-CE2 3.79Å; F221-F229 HydrophobicContact CE1-CE2 4.12Å; F221-F229 HydrophobicContact CE2-CE2 4.13Å; F221-F229 AromaticContact CG-CD2 3.91Å; F221-F229 HydrophobicContact CG-CD2 3.91Å; F221-F229 AromaticContact CG-CE2 3.6Å; F221-F229 HydrophobicContact CG-CE2 3.6Å; F221-F229 HydrophobicContact CZ-CE2 4.27Å; L224-F229 HydrophobicContact CB-CB 4.4Å; L224-F229 HydrophobicContact CD1-CD2 4.36Å; T225-F229 WeakPolarHBondContact O-CB 3.21Å; T225-F229 PolarHBondContact O-N 3.18Å; F229-S231 PolarHBondContact O-N 3.06Å; F229-T232 PolarHBondContact O-N 2.94Å; F229-Y233 AromaticContact CD2-CD2 3.86Å; F229-Y233 HydrophobicContact CD2-CD2 3.86Å; F229-Y233 HydrophobicContact CD2-CG 4.31Å; F229-Y233 HydrophobicContact CE2-CD2 4.37Å; F229-Y233 HydrophobicContact CE2-CG 4.38Å; F229-Y233 PolarHBondContact O-N 2.96Å; F229-L234 HydrophobicContact CD1-CD1 3.98Å; F229-L234 HydrophobicContact CD1-CG 4.28Å; F229-L234 HydrophobicContact CE1-CD1 3.81Å; F229-L234 HydrophobicContact CE1-CD2 4.02Å; F229-L234 HydrophobicContact CE1-CG 4.07Å; F229-L234 HydrophobicContact CZ-CD2 4.15Å; F229-Q396 HydrophobicContact CD1-CB 4.07Å; F229-Q396 HydrophobicContact CD1-CG 4.01Å; F229-Q396 HydrophobicContact CD2-CG 4.09Å; F229-Q396 HydrophobicContact CE1-CB 3.63Å; F229-Q396 HydrophobicContact CE1-CG 3.97Å; F229-Q396 HydrophobicContact CE2-CB 4.36Å; F229-Q396 HydrophobicContact CE2-CG 4.06Å; F229-Q396 HydrophobicContact CG-CG 4.06Å; F229-Q396 HydrophobicContact CZ-CB 3.79Å; F229-Q396 HydrophobicContact CZ-CG 3.99Å; F229-W439 HydrophobicContact CE1-CH2 4.45Å; F229-W439 HydrophobicContact CE2-CH2 4.33Å; F229-W439 AromaticContact CZ-CH2 3.55Å; F229-W439 HydrophobicContact CZ-CH2 3.55Å; F229-W439 AromaticContact CZ-CZ2 3.95Å; F229-W439 HydrophobicContact CZ-CZ2 3.95Å; F229-W439 AromaticContact CZ-CZ3 3.99Å; F229-W439 HydrophobicContact CZ-CZ3 3.99Å
230	R	90.4	Very high	88.7	Confident	64 Å²	64	32.6 Å²	32.6	24%	0.242	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-32.2	-178.1	-170.9	-179.3	69.6	133.4	1.5	114.1	E226 E228 L234	E226-R230 WeakPolarHBondContact O-CB 3.14Å; E226-R230 PolarHBondContact O-N 3.07Å; E228-R230 PolarHBondContact O-N 2.81Å; R230-L234 HydrophobicContact CB-CD1 4.23Å; R230-L234 HydrophobicContact CG-CB 4.34Å; R230-L234 HydrophobicContact CG-CD1 4.18Å; R230-L234 WeakPolarHBondContact O-CB 3.28Å
231	S	88.8	Confident	87.2	Confident	76 Å²	76	36.1 Å²	36.1	53%	0.531	19%	0.186	S	C	.	.	H	α-helix	trans	-82.3	-22.9	177.9	58.3	0	0	0	0	113.6	E227 E228 F229	E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.29Å; E227-S231 PolarHBondContact O-N 3.18Å; E227-S231 PolarHBondContact O-OG 2.89Å; E228-S231 PolarHBondContact O-N 3.2Å; E228-S231 PolarHBondContact O-OG 3.03Å; F229-S231 PolarHBondContact O-N 3.06Å
232	T	89.8	Confident	85.5	Confident	28 Å²	28	42.1 Å²	42.1	17%	0.172	22%	0.223	C	C	.	.	H	α-helix	trans	-101.3	-42.8	-172.8	-54.9	0	0	0	0	113.2	E228 F229 M277 C278 G279	E228-T232 WeakPolarHBondContact O-CB 3.49Å; E228-T232 PolarHBondContact O-N 3.13Å; E228-T232 PolarHBondContact O-OG1 3Å; F229-T232 PolarHBondContact O-N 2.94Å; T232-M277 HydrophobicContact CG2-CB 3.56Å; T232-M277 HydrophobicContact CG2-CE 3.99Å; T232-M277 HydrophobicContact CG2-CG 3.76Å; T232-M277 CarbonylContact O-C 3.6Å; T232-C278 CarbonylContact O-C 3.51Å; T232-C278 PolarHBondContact O-N 3.32Å; T232-C278 VanDerWaalsContact O-N 3.16Å; T232-G279 PolarHBondContact O-N 3.34Å
233	Y	93.8	Very high	83.9	Confident	33 Å²	33	45.5 Å²	45.5	13%	0.129	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-19.1	-171.6	-61.3	-85.5	0	0	0	113.5	F221 L224 F229 Q275 G276 M277	F221-Y233 HydrophobicContact CD1-CD2 4.35Å; F221-Y233 HydrophobicContact CD1-CE1 4.48Å; F221-Y233 HydrophobicContact CD1-CE2 4.18Å; F221-Y233 AromaticContact CE1-CD1 3.83Å; F221-Y233 HydrophobicContact CE1-CD1 3.83Å; F221-Y233 HydrophobicContact CE1-CD2 4.26Å; F221-Y233 AromaticContact CE1-CE1 3.71Å; F221-Y233 HydrophobicContact CE1-CE1 3.71Å; F221-Y233 HydrophobicContact CE1-CE2 4.18Å; F221-Y233 HydrophobicContact CE1-CG 4.1Å; F221-Y233 AromaticContact CE1-CZ 3.89Å; F221-Y233 HydrophobicContact CZ-CD1 4.48Å; L224-Y233 HydrophobicContact CD1-CD2 4.12Å; L224-Y233 HydrophobicContact CD1-CE2 3.47Å; L224-Y233 VanDerWaalsContact CD1-CE2 3.47Å; F229-Y233 AromaticContact CD2-CD2 3.86Å; F229-Y233 HydrophobicContact CD2-CD2 3.86Å; F229-Y233 HydrophobicContact CD2-CG 4.31Å; F229-Y233 HydrophobicContact CE2-CD2 4.37Å; F229-Y233 HydrophobicContact CE2-CG 4.38Å; F229-Y233 PolarHBondContact O-N 2.96Å; Y233-Q275 PolarHBondContact O-NE2 2.82Å; Y233-G276 WeakPolarHBondContact CD1-O 3.47Å; Y233-G276 WeakPolarHBondContact CE1-O 3.35Å; Y233-M277 HydrophobicContact CE1-CG 4.46Å
234	L	93.8	Very high	82.5	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	-106	178.8	-178.4	-49.9	-171.8	0	0	0	111.3	F229 R230 G279 A392 D416 H417 W439	F229-L234 HydrophobicContact CD1-CD1 3.98Å; F229-L234 HydrophobicContact CD1-CG 4.28Å; F229-L234 HydrophobicContact CE1-CD1 3.81Å; F229-L234 HydrophobicContact CE1-CD2 4.02Å; F229-L234 HydrophobicContact CE1-CG 4.07Å; F229-L234 HydrophobicContact CZ-CD2 4.15Å; R230-L234 HydrophobicContact CB-CD1 4.23Å; R230-L234 HydrophobicContact CG-CB 4.34Å; R230-L234 HydrophobicContact CG-CD1 4.18Å; R230-L234 WeakPolarHBondContact O-CB 3.28Å; L234-G279 WeakPolarHBondContact O-CA 3.34Å; L234-A392 HydrophobicContact CD1-CB 4.22Å; L234-A392 HydrophobicContact CD2-CB 3.8Å; L234-D416 HydrophobicContact CB-CB 4.46Å; L234-D416 WeakPolarHBondContact CB-O 3.14Å; L234-D416 HydrophobicContact CD1-CB 4.48Å; L234-H417 HydrophobicContact CD2-CB 4.13Å; L234-W439 HydrophobicContact CD2-CH2 4.24Å; L234-W439 HydrophobicContact CD2-CZ2 3.61Å
235	N	90.1	Very high	81.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.			trans	-132.7	87.7	-174.4	174.1	-0.2	0	0	0	109.4	L237 L238 G321 G322 D416	N235-L237 PolarHBondContact O-N 3.29Å; N235-L237 WeakPolarHBondContact OD1-CB 3.49Å; N235-L237 PolarHBondContact OD1-N 3.49Å; N235-L238 HydrophobicContact CB-CD1 3.93Å; N235-L238 HydrophobicContact CB-CG 4.35Å; N235-L238 PolarHBondContact O-N 2.93Å; N235-G321 VanDerWaalsContact CG-CA 3.47Å; N235-G321 WeakPolarHBondContact OD1-CA 3.41Å; N235-G322 PolarHBondContact ND2-N 2.9Å; N235-G322 PolarHBondContact ND2-O 3.46Å; N235-G322 PolarHBondContact OD1-N 2.98Å; N235-D416 CarbonylContact C-O 3.57Å; N235-D416 WeakPolarHBondContact CA-O 3.36Å; N235-D416 PolarHBondContact N-O 3.45Å; N235-D416 WeakPolarHBondContact O-CA 3.39Å
236	P	76.7	Confident	81.2	Confident	34 Å²	34	58.8 Å²	58.8	22%	0.221	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-2	-176.9	29.1	-36	0	0	0	113.9	Q240	P236-Q240 PolarHBondContact O-NE2 3.04Å
237	L	80.2	Confident	81.4	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.12	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.5	178.9	-53.9	-171.9	0	0	0	112.5	N235 S239 Q240 W241 Q317	N235-L237 PolarHBondContact O-N 3.29Å; N235-L237 WeakPolarHBondContact OD1-CB 3.49Å; N235-L237 PolarHBondContact OD1-N 3.49Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 2.93Å; L237-Q240 PolarHBondContact O-N 3.2Å; L237-W241 HydrophobicContact CD1-CZ2 4.37Å; L237-W241 PolarHBondContact O-N 2.81Å; L237-Q317 HydrophobicContact CD1-CB 4.41Å; L237-Q317 HydrophobicContact CD1-CG 4.11Å
238	L	80.8	Confident	81.7	Confident	10 Å²	10	61.1 Å²	61.1	5%	0.052	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.6	-177.1	-70.5	162.7	0	0	0	113.5	N235 L323 A389 I415 A418 M463	N235-L238 HydrophobicContact CB-CD1 3.93Å; N235-L238 HydrophobicContact CB-CG 4.35Å; N235-L238 PolarHBondContact O-N 2.93Å; L238-L323 HydrophobicContact CD2-CD2 3.92Å; L238-A389 HydrophobicContact CD1-CB 4.34Å; L238-A389 HydrophobicContact CD2-CB 4.46Å; L238-I415 HydrophobicContact CB-CG2 3.93Å; L238-I415 HydrophobicContact CD1-CG2 4.34Å; L238-A418 HydrophobicContact CD1-CB 4.24Å; L238-M463 HydrophobicContact CB-SD 4.42Å; L238-M463 HydrophobicContact CD2-CE 3.72Å; L238-M463 HydrophobicContact CD2-SD 4.23Å
239	S	71.1	Confident	81.9	Confident	60 Å²	60	63.9 Å²	63.9	42%	0.42	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.9	176.8	47.9	0	0	0	0	114.7	L237 I415	L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 2.93Å; S239-I415 VanDerWaalsContact CB-O 3.23Å; S239-I415 WeakPolarHBondContact CB-O 3.34Å; S239-I415 PolarHBondContact N-O 2.72Å; S239-I415 VanDerWaalsContact N-O 3.12Å; S239-I415 PolarHBondContact OG-O 2.83Å
240	Q	65.3	Low	81.9	Confident	64 Å²	64	64.7 Å²	64.7	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-15.4	-167.8	-67.4	-175.9	78.8	0	0	115	P236 L237	P236-Q240 PolarHBondContact O-NE2 3.04Å; L237-Q240 PolarHBondContact O-N 3.2Å
241	W	64.8	Low	82	Confident	103 Å²	103	65.7 Å²	65.7	39%	0.39	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-102.5	139.6	-168.9	-81.6	53.6	0	0	0	114.4	L237 L323	L237-W241 HydrophobicContact CD1-CZ2 4.37Å; L237-W241 PolarHBondContact O-N 2.81Å; W241-L323 HydrophobicContact CB-CD1 3.85Å; W241-L323 HydrophobicContact CB-CD2 4.25Å; W241-L323 HydrophobicContact CB-CG 4.42Å; W241-L323 HydrophobicContact CE3-CD1 4.38Å
242	T	62.4	Low	82.1	Confident	127 Å²	127	67.5 Å²	67.5	78%	0.779	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-80.1	134.8	161.3	50.2	0	0	0	0	109.6	H244	T242-H244 PolarHBondContact O-N 2.81Å
243	L	63.6	Low	82.2	Confident	74 Å²	74	67.2 Å²	67.2	39%	0.387	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-52.7	132.8	175.2	-62.5	172.8	0	0	0	111	R245 S325	L243-R245 VanDerWaalsContact C-N 3.34Å; L243-S325 VanDerWaalsContact CD2-OG 3.24Å; L243-S325 WeakPolarHBondContact CD2-OG 3.27Å
244	H	68.3	Low	82.1	Confident	127 Å²	127	74.6 Å²	74.6	59%	0.588	40%	0.396	S	S	*	.	S	Bend	trans	-64.7	-42.5	173.4	-173.2	66.7	0	0	0	111.1	T242 E329	T242-H244 PolarHBondContact O-N 2.81Å; H244-E329 IonicContact CD2-OE1 3.71Å; H244-E329 IonicContact CD2-OE2 3.83Å
245	R	78.3	Confident	82	Confident	125 Å²	125	76.2 Å²	76.2	47%	0.472	41%	0.414	S	S	.	.	S	Bend	trans	-135	130	176	-176.1	-178	179	-154.1	1.8	108.5	L243 M247 E329 E332	L243-R245 VanDerWaalsContact C-N 3.34Å; R245-M247 PolarHBondContact O-N 3.07Å; R245-E329 WeakPolarHBondContact CB-OE2 3.23Å; R245-E329 WeakPolarHBondContact CD-OE2 3.39Å; R245-E332 IonicContact NH1-OE2 2.94Å; R245-E332 PolarHBondContact NH1-OE2 2.96Å
246	P	83.7	Confident	82.2	Confident	103 Å²	103	82.2 Å²	82.2	67%	0.669	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-69.2	130.8	173.4	28.1	-32.8	0	0	0	110.1
247	M	92	Very high	83.2	Confident	28 Å²	28	82.3 Å²	82.3	14%	0.138	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-68	156.6	169.4	-67.3	179.1	-66.4	0	0	109.9	R245 Y328 E368	R245-M247 PolarHBondContact O-N 3.07Å; M247-Y328 HydrophobicContact SD-CD2 4.25Å; M247-E368 HydrophobicContact CB-CB 4.13Å; M247-E368 HydrophobicContact CE-CB 4.18Å
248	K	94.7	Very high	84	Confident	144 Å²	144	84.1 Å²	84.1	63%	0.626	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.2	174.5	-68.2	176.1	-177.5	171.8	0	109.6	A250 L367 E368	K248-A250 PolarHBondContact O-N 3.19Å; K248-L367 HydrophobicContact CB-CD2 3.99Å; K248-L367 CarbonylContact O-C 3.41Å; K248-L367 VanDerWaalsContact O-CA 3.24Å; K248-L367 WeakPolarHBondContact O-CA 3.22Å; K248-E368 PolarHBondContact O-N 2.77Å
249	P	96.3	Very high	84.8	Confident	110 Å²	110	86.9 Å²	86.9	71%	0.714	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	135	170.8	-23.9	34.3	0	0	0	111.1
250	A	96.1	Very high	86.1	Confident	22 Å²	22	87.7 Å²	87.7	18%	0.182	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-66.5	147.6	173.5	0	0	0	0	0	111.4	K248 L367 E368 I369	K248-A250 PolarHBondContact O-N 3.19Å; A250-L367 HydrophobicContact CB-CB 4.05Å; A250-L367 HydrophobicContact CB-CD1 4.13Å; A250-E368 WeakPolarHBondContact CB-O 3.47Å; A250-E368 PolarHBondContact N-O 3.47Å; A250-I369 HydrophobicContact CB-CD1 3.64Å
251	P	92.7	Very high	87.7	Confident	84 Å²	84	88.1 Å²	88.1	55%	0.545	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-63.9	144.5	165.9	29.8	-34.3	0	0	0	109.9
252	T	89.4	Confident	89.3	Confident	114 Å²	114	84.1 Å²	84.1	70%	0.699	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61.9	148.7	172.7	49.8	0	0	0	0	111
253	A	92.4	Very high	91.1	Very high	22 Å²	22	78.9 Å²	78.9	18%	0.182	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-59	154.6	169.2	0	0	0	0	0	111.1	G255 A378 E382	A253-G255 VanDerWaalsContact C-N 3.28Å; A253-G255 PolarHBondContact O-N 2.8Å; A253-A378 HydrophobicContact CB-CB 3.61Å; A253-E382 WeakPolarHBondContact CA-OE2 3.25Å
254	K	91.3	Very high	92.7	Very high	188 Å²	188	79 Å²	79	82%	0.817	45%	0.453	S	S	*	.	S	Bend	trans	-73	-18.8	-176.5	-65.9	174.2	-173.4	169.5	0	113.8	E382	K254-E382 WeakPolarHBondContact CD-OE1 3.41Å; K254-E382 VanDerWaalsContact CE-OE1 3.29Å; K254-E382 WeakPolarHBondContact CE-OE1 3.42Å; K254-E382 PolarHBondContact N-OE2 2.9Å; K254-E382 IonicContact NZ-OE1 3.23Å
255	G	92.3	Very high	94.1	Very high	39 Å²	39	79.4 Å²	79.4	40%	0.402	46%	0.459	S	S	.	.	S	Bend	trans	-159.7	178.9	-175	0	0	0	0	0	111.8	A253	A253-G255 VanDerWaalsContact C-N 3.28Å; A253-G255 PolarHBondContact O-N 2.8Å
256	P	94.6	Very high	95.1	Very high	126 Å²	126	77.4 Å²	77.4	82%	0.818	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-65.8	152.4	177	29.9	-35.5	0	0	0	111.4
257	A	96.9	Very high	95.7	Very high	35 Å²	35	73.9 Å²	73.9	29%	0.289	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.3	141.4	169.2	0	0	0	0	0	111.6	A377 A378 Y424	A257-A377 HydrophobicContact CB-CB 3.79Å; A257-A378 HydrophobicContact CB-CB 4.13Å; A257-Y424 WeakPolarHBondContact CB-OH 2.96Å
258	P	97.8	Very high	96	Very high	62 Å²	62	72.6 Å²	72.6	40%	0.403	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-60	171.7	162.1	26.4	-34.7	0	0	0	111.7	S260 W261 A381 Y424	P258-S260 VanDerWaalsContact C-N 3.32Å; P258-S260 PolarHBondContact O-N 2.94Å; P258-W261 HydrophobicContact CG-CB 4.34Å; P258-W261 HydrophobicContact CG-CE3 4Å; P258-A381 HydrophobicContact CG-CB 3.94Å; P258-Y424 VanDerWaalsContact CD-OH 3.24Å; P258-Y424 WeakPolarHBondContact CD-OH 3.48Å; P258-Y424 WeakPolarHBondContact CG-OH 3.43Å; P258-Y424 WeakPolarHBondContact O-CE2 3.49Å
259	G	97.5	Very high	96.2	Very high	67 Å²	67	66.6 Å²	66.6	69%	0.691	41%	0.406	S	S	*	.	S	Bend	trans	-65.9	-34	-179.6	0	0	0	0	0	113.8
260	S	98.4	Very high	96.3	Very high	77 Å²	77	61.5 Å²	61.5	54%	0.538	37%	0.374	S	S	.	.			trans	-148.1	153.2	174.8	56.7	0	0	0	0	110.1	P258 Y424	P258-S260 VanDerWaalsContact C-N 3.32Å; P258-S260 PolarHBondContact O-N 2.94Å; S260-Y424 CarbonylContact C-O 3.58Å; S260-Y424 VanDerWaalsContact CA-O 3.3Å; S260-Y424 WeakPolarHBondContact CA-O 3.47Å; S260-Y424 WeakPolarHBondContact CB-O 3.23Å
261	W	98.7	Very high	96.4	Very high	73 Å²	73	64.9 Å²	64.9	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	139.6	174.1	-168.2	-93	0	0	0	109.8	P258 W263 H266 A381 G423 Y424	P258-W261 HydrophobicContact CG-CB 4.34Å; P258-W261 HydrophobicContact CG-CE3 4Å; W261-W263 AromaticContact CD1-CD1 3.95Å; W261-W263 AromaticContact CD1-CE2 3.84Å; W261-W263 AromaticContact CD1-NE1 3.65Å; W261-W263 AromaticContact CE2-CZ2 3.89Å; W261-W263 AromaticContact CZ2-CH2 3.75Å; W261-W263 HydrophobicContact CZ2-CH2 3.75Å; W261-W263 HydrophobicContact CZ2-CZ2 4.02Å; W261-W263 HydrophobicContact CZ2-CZ3 4.15Å; W261-W263 AromaticContact NE1-CD1 3.91Å; W261-W263 AromaticContact NE1-CD2 3.49Å; W261-W263 AromaticContact NE1-CE2 3.08Å; W261-W263 AromaticContact NE1-CE3 4Å; W261-W263 AromaticContact NE1-CG 3.97Å; W261-W263 AromaticContact NE1-CH2 3.77Å; W261-W263 AromaticContact NE1-CZ2 3.26Å; W261-W263 VanDerWaalsContact NE1-CZ2 3.26Å; W261-W263 AromaticContact NE1-NE1 3.4Å; W261-H266 AromaticContact CE2-CD2 3.57Å; W261-H266 AromaticContact CE2-NE2 3.81Å; W261-H266 AromaticContact CH2-NE2 3.66Å; W261-H266 AromaticContact CZ2-CD2 3.48Å; W261-H266 VanDerWaalsContact CZ2-CD2 3.48Å; W261-H266 WeakPolarHBondContact CZ2-CD2 3.43Å; W261-H266 AromaticContact CZ2-NE2 3.6Å; W261-H266 AromaticContact CZ3-NE2 3.94Å; W261-H266 AromaticContact NE1-CD2 3.84Å; W261-A381 HydrophobicContact CB-CB 3.95Å; W261-A381 HydrophobicContact CD2-CB 3.92Å; W261-A381 HydrophobicContact CE3-CB 4.42Å; W261-A381 HydrophobicContact CG-CB 3.69Å; W261-G423 CarbonylContact O-C 3.1Å; W261-G423 WeakPolarHBondContact O-CA 3.45Å; W261-Y424 HydrophobicContact CB-CE1 3.93Å; W261-Y424 HydrophobicContact CB-CE2 4.36Å; W261-Y424 PolarHBondContact N-O 2.83Å; W261-Y424 PolarHBondContact O-N 3.48Å; W261-Y424 VanDerWaalsContact O-O 3.12Å
262	D	98.7	Very high	96.7	Very high	19 Å²	19	61.8 Å²	61.8	10%	0.102	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	115.6	177.4	-159.2	-43.6	0	0	0	111.2	R264 D265 H266	D262-R264 PolarHBondContact O-N 3Å; D262-R264 VanDerWaalsContact OD1-CB 3.26Å; D262-R264 WeakPolarHBondContact OD1-CB 3.02Å; D262-R264 VanDerWaalsContact OD1-CG 3.23Å; D262-R264 WeakPolarHBondContact OD1-CG 3.34Å; D262-R264 IonicContact OD1-CZ 2.95Å; D262-R264 PolarHBondContact OD1-N 3.26Å; D262-R264 IonicContact OD1-NE 3.95Å; D262-R264 PolarHBondContact OD1-NE 3.12Å; D262-R264 IonicContact OD1-NH2 3.81Å; D262-R264 IonicContact OD2-CZ 2.67Å; D262-R264 VanDerWaalsContact OD2-CZ 3.3Å; D262-R264 IonicContact OD2-NE 2.67Å; D262-R264 PolarHBondContact OD2-NE 2.91Å; D262-R264 VanDerWaalsContact OD2-NE 3.13Å; D262-R264 IonicContact OD2-NH2 3.75Å; D262-R264 PolarHBondContact OD2-NH2 3.11Å; D262-D265 PolarHBondContact O-N 2.8Å; D262-H266 PolarHBondContact O-CD2 3.4Å
263	W	98.8	Very high	97.2	Very high	17 Å²	17	57.8 Å²	57.8	6%	0.064	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.9	-177.4	-79.5	112	0	0	0	114.4	W261 H266 G267 A268 V269 L296 L380 A381 G384 P385 V422	W261-W263 AromaticContact CD1-CD1 3.95Å; W261-W263 AromaticContact CD1-CE2 3.84Å; W261-W263 AromaticContact CD1-NE1 3.65Å; W261-W263 AromaticContact CE2-CZ2 3.89Å; W261-W263 AromaticContact CZ2-CH2 3.75Å; W261-W263 HydrophobicContact CZ2-CH2 3.75Å; W261-W263 HydrophobicContact CZ2-CZ2 4.02Å; W261-W263 HydrophobicContact CZ2-CZ3 4.15Å; W261-W263 AromaticContact NE1-CD1 3.91Å; W261-W263 AromaticContact NE1-CD2 3.49Å; W261-W263 AromaticContact NE1-CE2 3.08Å; W261-W263 AromaticContact NE1-CE3 4Å; W261-W263 AromaticContact NE1-CG 3.97Å; W261-W263 AromaticContact NE1-CH2 3.77Å; W261-W263 AromaticContact NE1-CZ2 3.26Å; W261-W263 VanDerWaalsContact NE1-CZ2 3.26Å; W261-W263 AromaticContact NE1-NE1 3.4Å; W263-H266 HydrophobicContact CE3-CB 3.56Å; W263-H266 HydrophobicContact CZ3-CB 3.77Å; W263-H266 CarbonylContact O-C 3.59Å; W263-H266 PolarHBondContact O-N 2.66Å; W263-G267 PolarHBondContact O-N 3.19Å; W263-G267 VanDerWaalsContact O-N 3.09Å; W263-A268 HydrophobicContact CB-CB 4.14Å; W263-A268 HydrophobicContact CD2-CB 3.99Å; W263-A268 HydrophobicContact CE3-CB 3.51Å; W263-A268 HydrophobicContact CG-CB 4.27Å; W263-A268 HydrophobicContact CZ3-CB 4.31Å; W263-A268 PolarHBondContact O-N 3.01Å; W263-A268 VanDerWaalsContact O-N 3.09Å; W263-V269 HydrophobicContact CB-CG2 3.55Å; W263-L296 HydrophobicContact CH2-CD2 3.6Å; W263-L296 HydrophobicContact CZ2-CD2 4.36Å; W263-L296 HydrophobicContact CZ3-CD2 3.72Å; W263-L380 PolarHBondContact NE1-O 2.86Å; W263-A381 WeakPolarHBondContact CZ2-O 3.3Å; W263-G384 VanDerWaalsContact CE2-CA 3.46Å; W263-G384 VanDerWaalsContact NE1-C 3.32Å; W263-G384 VanDerWaalsContact NE1-CA 3.32Å; W263-P385 HydrophobicContact CB-CG 3.91Å; W263-P385 HydrophobicContact CG-CG 3.87Å; W263-V422 WeakPolarHBondContact CB-O 3.26Å; W263-V422 VanDerWaalsContact CD1-O 3.28Å; W263-V422 PolarHBondContact N-O 2.75Å
264	R	98.4	Very high	97.4	Very high	76 Å²	76	60.3 Å²	60.3	29%	0.287	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-42	173	-61.2	177	-67.3	173.9	5	111	D262 H266 G267 V269 V422 Y448 Y450	D262-R264 PolarHBondContact O-N 3Å; D262-R264 VanDerWaalsContact OD1-CB 3.26Å; D262-R264 WeakPolarHBondContact OD1-CB 3.02Å; D262-R264 VanDerWaalsContact OD1-CG 3.23Å; D262-R264 WeakPolarHBondContact OD1-CG 3.34Å; D262-R264 IonicContact OD1-CZ 2.95Å; D262-R264 PolarHBondContact OD1-N 3.26Å; D262-R264 IonicContact OD1-NE 3.95Å; D262-R264 PolarHBondContact OD1-NE 3.12Å; D262-R264 IonicContact OD1-NH2 3.81Å; D262-R264 IonicContact OD2-CZ 2.67Å; D262-R264 VanDerWaalsContact OD2-CZ 3.3Å; D262-R264 IonicContact OD2-NE 2.67Å; D262-R264 PolarHBondContact OD2-NE 2.91Å; D262-R264 VanDerWaalsContact OD2-NE 3.13Å; D262-R264 IonicContact OD2-NH2 3.75Å; D262-R264 PolarHBondContact OD2-NH2 3.11Å; R264-H266 PolarHBondContact O-N 3.45Å; R264-G267 PolarHBondContact O-N 3.49Å; R264-V269 HydrophobicContact CG-CB 4.01Å; R264-V269 HydrophobicContact CG-CG1 4.06Å; R264-V269 HydrophobicContact CG-CG2 4Å; R264-V422 HydrophobicContact CG-CG2 4.47Å; R264-Y448 VanDerWaalsContact CD-CZ 3.46Å; R264-Y448 WeakPolarHBondContact CD-OH 3.17Å; R264-Y448 HydrophobicContact CG-CE1 4.43Å; R264-Y450 PolarHBondContact NH1-OH 3Å; R264-Y450 VanDerWaalsContact NH1-OH 3.12Å; R264-Y450 PolarHBondContact NH2-OH 2.9Å
265	D	98.1	Very high	97.7	Very high	136 Å²	136	51.4 Å²	51.4	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.2	176.9	-59.8	-28.5	0	0	0	112.7	D262	D262-D265 PolarHBondContact O-N 2.8Å
266	H	98.1	Very high	97.8	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.389	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	6.7	-177.5	-63.3	-53.7	0	0	0	113.8	W261 D262 W263 R264 A268 F295	W261-H266 AromaticContact CE2-CD2 3.57Å; W261-H266 AromaticContact CE2-NE2 3.81Å; W261-H266 AromaticContact CH2-NE2 3.66Å; W261-H266 AromaticContact CZ2-CD2 3.48Å; W261-H266 VanDerWaalsContact CZ2-CD2 3.48Å; W261-H266 WeakPolarHBondContact CZ2-CD2 3.43Å; W261-H266 AromaticContact CZ2-NE2 3.6Å; W261-H266 AromaticContact CZ3-NE2 3.94Å; W261-H266 AromaticContact NE1-CD2 3.84Å; D262-H266 PolarHBondContact O-CD2 3.4Å; W263-H266 HydrophobicContact CE3-CB 3.56Å; W263-H266 HydrophobicContact CZ3-CB 3.77Å; W263-H266 CarbonylContact O-C 3.59Å; W263-H266 PolarHBondContact O-N 2.66Å; R264-H266 PolarHBondContact O-N 3.45Å; H266-A268 VanDerWaalsContact C-N 3.34Å; H266-A268 PolarHBondContact O-N 2.94Å; H266-F295 WeakPolarHBondContact O-CE1 3.29Å; H266-F295 VanDerWaalsContact O-CZ 3.3Å; H266-F295 WeakPolarHBondContact O-CZ 3.42Å
267	G	97.1	Very high	97.8	Very high	29 Å²	29	51.5 Å²	51.5	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	7.1	171.9	0	0	0	0	0	116.5	W263 R264 V269 F295 L301	W263-G267 PolarHBondContact O-N 3.19Å; W263-G267 VanDerWaalsContact O-N 3.09Å; R264-G267 PolarHBondContact O-N 3.49Å; G267-V269 VanDerWaalsContact C-N 3.32Å; G267-V269 PolarHBondContact O-N 2.8Å; G267-F295 WeakPolarHBondContact O-CD2 3.46Å; G267-L301 WeakPolarHBondContact O-CD2 3.25Å
268	A	98.4	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.			trans	-93.2	19.6	-179.3	0	0	0	0	0	113.5	W263 H266 G292 F295 L296 P385	W263-A268 HydrophobicContact CB-CB 4.14Å; W263-A268 HydrophobicContact CD2-CB 3.99Å; W263-A268 HydrophobicContact CE3-CB 3.51Å; W263-A268 HydrophobicContact CG-CB 4.27Å; W263-A268 HydrophobicContact CZ3-CB 4.31Å; W263-A268 PolarHBondContact O-N 3.01Å; W263-A268 VanDerWaalsContact O-N 3.09Å; H266-A268 VanDerWaalsContact C-N 3.34Å; H266-A268 PolarHBondContact O-N 2.94Å; A268-G292 VanDerWaalsContact O-CA 3.26Å; A268-G292 WeakPolarHBondContact O-CA 3.19Å; A268-F295 HydrophobicContact CB-CD1 3.52Å; A268-F295 HydrophobicContact CB-CE1 4.06Å; A268-F295 HydrophobicContact CB-CG 4.35Å; A268-L296 HydrophobicContact CB-CG 4.5Å; A268-P385 HydrophobicContact CB-CG 4.39Å; A268-P385 WeakPolarHBondContact O-CG 3.18Å
269	V	98.7	Very high	97.7	Very high	18 Å²	18	47 Å²	47	11%	0.109	27%	0.273	C	S	.	.			trans	-136.3	117.6	-176.4	-174.8	0	0	0	0	109.6	W263 R264 G267 P385 V422 K436	W263-V269 HydrophobicContact CB-CG2 3.55Å; R264-V269 HydrophobicContact CG-CB 4.01Å; R264-V269 HydrophobicContact CG-CG1 4.06Å; R264-V269 HydrophobicContact CG-CG2 4Å; G267-V269 VanDerWaalsContact C-N 3.32Å; G267-V269 PolarHBondContact O-N 2.8Å; V269-P385 HydrophobicContact CG2-CG 4.27Å; V269-V422 HydrophobicContact CG1-CG1 3.93Å; V269-V422 HydrophobicContact CG2-CB 3.89Å; V269-V422 HydrophobicContact CG2-CG1 3.68Å; V269-K436 HydrophobicContact CG1-CD 3.84Å
270	S	98.3	Very high	97.7	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.8	166	173.8	62.3	0	0	0	0	112.3	E291 K436	S270-E291 WeakPolarHBondContact CB-OE2 3.19Å; S270-E291 PolarHBondContact OG-OE2 2.81Å; S270-K436 WeakPolarHBondContact O-CE 3.1Å; S270-K436 PolarHBondContact O-NZ 3.24Å; S270-K436 PolarHBondContact OG-NZ 2.89Å
271	P	98.5	Very high	97.7	Very high	93 Å²	93	40.1 Å²	40.1	60%	0.604	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-53.8	158.2	172	-26.4	36	0	0	0	113.5	K273 K436	P271-K273 PolarHBondContact O-N 2.98Å; P271-K436 VanDerWaalsContact O-CE 3.25Å; P271-K436 WeakPolarHBondContact O-CE 3.46Å; P271-K436 PolarHBondContact O-NZ 2.82Å
272	V	98.7	Very high	97.6	Very high	18 Å²	18	36.6 Å²	36.6	11%	0.109	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-69.9	132.7	177.3	169.5	0	0	0	0	109.8	K436 E441 Y448	V272-K436 HydrophobicContact CG2-CG 4.13Å; V272-E441 HydrophobicContact CB-CG 3.74Å; V272-E441 HydrophobicContact CG1-CG 4.14Å; V272-Y448 HydrophobicContact CG2-CD2 4.4Å; V272-Y448 HydrophobicContact CG2-CE2 3.75Å
273	K	98.5	Very high	97.6	Very high	31 Å²	31	35.7 Å²	35.7	14%	0.135	20%	0.196	C	C	.	.			trans	-105.5	172.1	176.4	-58.6	-177.3	-172.7	169.5	0	110.7	P271 F284 E291 S303 L304 E306 S438 G440	P271-K273 PolarHBondContact O-N 2.98Å; K273-F284 HydrophobicContact CB-CD1 3.85Å; K273-F284 HydrophobicContact CB-CE1 3.52Å; K273-F284 HydrophobicContact CD-CD1 4.08Å; K273-F284 HydrophobicContact CD-CE1 3.81Å; K273-F284 HydrophobicContact CG-CE1 4.33Å; K273-E291 IonicContact NZ-OE1 3.77Å; K273-E291 PolarHBondContact NZ-OE1 3.39Å; K273-S303 WeakPolarHBondContact CE-OG 3.37Å; K273-S303 PolarHBondContact NZ-OG 3.25Å; K273-L304 PolarHBondContact NZ-O 2.97Å; K273-E306 WeakPolarHBondContact CD-OE1 3.24Å; K273-E306 VanDerWaalsContact CD-OE2 3.26Å; K273-E306 WeakPolarHBondContact CD-OE2 3.39Å; K273-E306 IonicContact NZ-OE1 2.68Å; K273-E306 PolarHBondContact NZ-OE1 2.93Å; K273-E306 IonicContact NZ-OE2 3.23Å; K273-E306 PolarHBondContact NZ-OE2 2.92Å; K273-S438 CarbonylContact O-C 3.54Å; K273-S438 VanDerWaalsContact O-C 3.27Å; K273-G440 PolarHBondContact O-N 2.03Å
274	N	98.1	Very high	97.6	Very high	75 Å²	75	35.8 Å²	35.8	40%	0.401	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-132.2	112.8	-178.8	-172.9	-3.1	0	0	0	111.2	G276 S438	N274-G276 PolarHBondContact O-N 2.93Å; N274-G276 PolarHBondContact OD1-N 2.97Å; N274-S438 CarbonylContact C-O 3.55Å; N274-S438 WeakPolarHBondContact CA-O 3.36Å
275	Q	97	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.			trans	-68.8	-13.7	176.6	74.8	-172	86.7	0	0	113.6	Y233 C278 F284 Y345 S438	Y233-Q275 PolarHBondContact O-NE2 2.82Å; Q275-C278 PolarHBondContact NE2-O 3.16Å; Q275-F284 HydrophobicContact CB-CD2 3.77Å; Q275-F284 HydrophobicContact CB-CE2 3.34Å; Q275-F284 HydrophobicContact CB-CZ 4.04Å; Q275-Y345 WeakPolarHBondContact O-CE1 3.37Å; Q275-Y345 PolarHBondContact O-OH 3.14Å; Q275-S438 WeakPolarHBondContact CG-O 3.28Å; Q275-S438 PolarHBondContact N-O 2.9Å; Q275-S438 PolarHBondContact OE1-OG 2.78Å
276	G	95.2	Very high	97.6	Very high	25 Å²	25	25.7 Å²	25.7	26%	0.258	15%	0.149	S	C	.	.			trans	55.8	-142.1	-175.7	0	0	0	0	0	112.7	Y233 N274 C278	Y233-G276 WeakPolarHBondContact CD1-O 3.47Å; Y233-G276 WeakPolarHBondContact CE1-O 3.35Å; N274-G276 PolarHBondContact O-N 2.93Å; N274-G276 PolarHBondContact OD1-N 2.97Å; G276-C278 PolarHBondContact O-N 2.77Å; G276-C278 VanDerWaalsContact O-N 3.07Å
277	M	94.2	Very high	97.6	Very high	143 Å²	143	21.7 Å²	21.7	70%	0.704	13%	0.13	S	C	*	.	S	Bend	trans	-85.9	49	-176.8	-67.3	-179.7	69.4	0	0	113.1	T232 Y233	T232-M277 HydrophobicContact CG2-CB 3.56Å; T232-M277 HydrophobicContact CG2-CE 3.99Å; T232-M277 HydrophobicContact CG2-CG 3.76Å; T232-M277 CarbonylContact O-C 3.6Å; Y233-M277 HydrophobicContact CE1-CG 4.46Å
278	C	95.9	Very high	97.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.118	C	C	.	.	S	Bend	trans	-142.6	124.3	-176	174.1	0	0	0	0	110.7	T232 Q275 G276 S280 C319 Y345 G347	T232-C278 CarbonylContact O-C 3.51Å; T232-C278 PolarHBondContact O-N 3.32Å; T232-C278 VanDerWaalsContact O-N 3.16Å; Q275-C278 PolarHBondContact NE2-O 3.16Å; G276-C278 PolarHBondContact O-N 2.77Å; G276-C278 VanDerWaalsContact O-N 3.07Å; C278-S280 PolarHBondContact O-N 3.11Å; C278-S280 PolarHBondContact O-OG 3.17Å; C278-S280 WeakPolarHBondContact SG-CB 3.38Å; C278-S280 PolarHBondContact SG-OG 2.89Å; C278-C319 HydrophobicContact CB-CB 3.8Å; C278-C319 WeakPolarHBondContact CB-SG 3.18Å; C278-C319 WeakPolarHBondContact SG-CA 3.36Å; C278-C319 WeakPolarHBondContact SG-CB 3.28Å; C278-C319 CovalentContact SG-SG 2.03Å; C278-C319 PolarHBondContact SG-SG 2.97Å; C278-Y345 PolarHBondContact SG-OH 3.15Å; C278-G347 WeakPolarHBondContact CB-O 3.34Å
279	G	95.8	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.			trans	-71.1	49.1	177.6	0	0	0	0	0	114.5	T232 L234 C319 G321	T232-G279 PolarHBondContact O-N 3.34Å; L234-G279 WeakPolarHBondContact O-CA 3.34Å; G279-C319 VanDerWaalsContact CA-O 3.26Å; G279-C319 WeakPolarHBondContact CA-O 3.32Å; G279-C319 PolarHBondContact N-O 3.4Å; G279-G321 WeakPolarHBondContact O-CA 3.08Å; G279-G321 PolarHBondContact O-N 3.31Å
280	S	97.6	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.			trans	-104.2	15.4	-174.6	57.3	0	0	0	0	113.7	C278 W282 A283 F284 Y345	C278-S280 PolarHBondContact O-N 3.11Å; C278-S280 PolarHBondContact O-OG 3.17Å; C278-S280 WeakPolarHBondContact SG-CB 3.38Å; C278-S280 PolarHBondContact SG-OG 2.89Å; S280-W282 PolarHBondContact O-N 2.84Å; S280-A283 WeakPolarHBondContact O-CB 3.48Å; S280-A283 PolarHBondContact O-N 3.39Å; S280-F284 WeakPolarHBondContact O-CD2 3.41Å; S280-F284 PolarHBondContact O-N 2.94Å; S280-Y345 PolarHBondContact OG-OH 3.44Å
281	C	98.1	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-50.7	-28.1	176.8	64.9	0	0	0	0	113.7	A283 F284 S285 H417 A418	C281-A283 VanDerWaalsContact C-N 3.34Å; C281-A283 PolarHBondContact O-N 3.4Å; C281-F284 PolarHBondContact O-N 3.29Å; C281-S285 VanDerWaalsContact O-CB 3.28Å; C281-S285 WeakPolarHBondContact O-CB 3.44Å; C281-S285 PolarHBondContact O-N 2.89Å; C281-H417 WeakPolarHBondContact CB-CE1 3.44Å; C281-H417 VanDerWaalsContact CB-ND1 3.32Å; C281-H417 WeakPolarHBondContact CB-ND1 3.49Å; C281-H417 PolarHBondContact SG-ND1 3.07Å; C281-A418 WeakPolarHBondContact CB-O 3.31Å; C281-A418 PolarHBondContact SG-N 3.02Å
282	W	97.5	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-39.6	173.2	62.2	-92.3	0	0	0	112.8	S280 V286 L309 D313 D316 A318 A327	S280-W282 PolarHBondContact O-N 2.84Å; W282-V286 WeakPolarHBondContact O-CG2 3.4Å; W282-V286 PolarHBondContact O-N 3.18Å; W282-L309 HydrophobicContact CH2-CB 3.87Å; W282-L309 HydrophobicContact CZ3-CB 3.86Å; W282-L309 HydrophobicContact CZ3-CD1 4.39Å; W282-D313 HydrophobicContact CH2-CB 4.02Å; W282-D316 HydrophobicContact CH2-CB 3.96Å; W282-D316 HydrophobicContact CZ2-CB 3.99Å; W282-D316 HydrophobicContact CZ3-CB 4.4Å; W282-A318 PolarHBondContact NE1-O 3.48Å; W282-A327 HydrophobicContact CE3-CB 3.65Å; W282-A327 HydrophobicContact CZ3-CB 3.58Å
283	A	98.3	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.2	-50.8	176.3	0	0	0	0	0	110.3	S280 C281 S285 V286 T287 E306 L309	S280-A283 WeakPolarHBondContact O-CB 3.48Å; S280-A283 PolarHBondContact O-N 3.39Å; C281-A283 VanDerWaalsContact C-N 3.34Å; C281-A283 PolarHBondContact O-N 3.4Å; A283-S285 VanDerWaalsContact C-N 3.29Å; A283-S285 PolarHBondContact O-N 2.84Å; A283-V286 PolarHBondContact O-N 3.01Å; A283-V286 VanDerWaalsContact O-N 3.08Å; A283-T287 PolarHBondContact O-N 2.97Å; A283-T287 PolarHBondContact O-OG1 3.39Å; A283-E306 HydrophobicContact CB-CB 4.09Å; A283-E306 HydrophobicContact CB-CG 4.21Å; A283-L309 HydrophobicContact CB-CB 3.98Å; A283-L309 HydrophobicContact CB-CD1 3.84Å
284	F	98.8	Very high	97.8	Very high	18 Å²	18	15.3 Å²	15.3	8%	0.079	8%	0.082	C	C	.	.	H	α-helix	trans	-58.4	-36.6	177.2	-73	-82.6	0	0	0	113.7	K273 Q275 S280 C281 T287 G288 E306 Y345	K273-F284 HydrophobicContact CB-CD1 3.85Å; K273-F284 HydrophobicContact CB-CE1 3.52Å; K273-F284 HydrophobicContact CD-CD1 4.08Å; K273-F284 HydrophobicContact CD-CE1 3.81Å; K273-F284 HydrophobicContact CG-CE1 4.33Å; Q275-F284 HydrophobicContact CB-CD2 3.77Å; Q275-F284 HydrophobicContact CB-CE2 3.34Å; Q275-F284 HydrophobicContact CB-CZ 4.04Å; S280-F284 WeakPolarHBondContact O-CD2 3.41Å; S280-F284 PolarHBondContact O-N 2.94Å; C281-F284 PolarHBondContact O-N 3.29Å; F284-T287 WeakPolarHBondContact CA-OG1 3.46Å; F284-T287 PolarHBondContact O-OG1 3.09Å; F284-G288 PolarHBondContact O-N 3.26Å; F284-G288 VanDerWaalsContact O-N 3.11Å; F284-E306 HydrophobicContact CB-CG 4.29Å; F284-E306 HydrophobicContact CD1-CB 4.47Å; F284-E306 HydrophobicContact CD1-CG 3.48Å; F284-E306 VanDerWaalsContact CD1-CG 3.48Å; F284-E306 WeakPolarHBondContact CD1-OE1 3.46Å; F284-E306 HydrophobicContact CD2-CB 4.43Å; F284-E306 HydrophobicContact CD2-CG 3.94Å; F284-E306 HydrophobicContact CE1-CB 4.14Å; F284-E306 HydrophobicContact CE1-CG 3.55Å; F284-E306 WeakPolarHBondContact CE1-OE2 3.34Å; F284-E306 HydrophobicContact CE2-CB 4.1Å; F284-E306 HydrophobicContact CE2-CG 4.01Å; F284-E306 HydrophobicContact CG-CG 3.67Å; F284-E306 HydrophobicContact CZ-CB 3.95Å; F284-E306 HydrophobicContact CZ-CG 3.83Å; F284-Y345 HydrophobicContact CE2-CD2 4.31Å; F284-Y345 HydrophobicContact CE2-CE1 4.33Å; F284-Y345 AromaticContact CE2-CE2 3.64Å; F284-Y345 HydrophobicContact CE2-CE2 3.64Å; F284-Y345 AromaticContact CE2-CZ 3.65Å; F284-Y345 HydrophobicContact CZ-CD1 4.18Å; F284-Y345 AromaticContact CZ-CD2 3.84Å; F284-Y345 HydrophobicContact CZ-CD2 3.84Å; F284-Y345 AromaticContact CZ-CE1 3.99Å; F284-Y345 HydrophobicContact CZ-CE1 3.99Å; F284-Y345 AromaticContact CZ-CE2 3.61Å; F284-Y345 HydrophobicContact CZ-CE2 3.61Å; F284-Y345 HydrophobicContact CZ-CG 4.11Å; F284-Y345 AromaticContact CZ-CZ 3.69Å
285	S	98.8	Very high	97.8	Very high	1 Å²	1	14 Å²	14	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-65.9	-39.2	176.3	-171.8	0	0	0	0	112	C281 A283 N289 S387 V419	C281-S285 VanDerWaalsContact O-CB 3.28Å; C281-S285 WeakPolarHBondContact O-CB 3.44Å; C281-S285 PolarHBondContact O-N 2.89Å; A283-S285 VanDerWaalsContact C-N 3.29Å; A283-S285 PolarHBondContact O-N 2.84Å; S285-N289 PolarHBondContact O-N 2.74Å; S285-S387 WeakPolarHBondContact O-CB 3.49Å; S285-S387 PolarHBondContact OG-OG 3.01Å; S285-V419 PolarHBondContact OG-N 3.08Å; S285-V419 PolarHBondContact OG-O 2.88Å
286	V	98.6	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-80.2	-47.7	-178.5	163.2	0	0	0	0	112.2	W282 A283 G288 N289 I290 L309 P324 A327 Y328 I331	W282-V286 WeakPolarHBondContact O-CG2 3.4Å; W282-V286 PolarHBondContact O-N 3.18Å; A283-V286 PolarHBondContact O-N 3.01Å; A283-V286 VanDerWaalsContact O-N 3.08Å; V286-G288 VanDerWaalsContact C-N 3.33Å; V286-G288 PolarHBondContact O-N 2.77Å; V286-N289 WeakPolarHBondContact O-CB 3.24Å; V286-N289 PolarHBondContact O-N 2.75Å; V286-N289 VanDerWaalsContact O-N 3.15Å; V286-I290 HydrophobicContact CG1-CD1 3.72Å; V286-I290 HydrophobicContact CG1-CG1 4.48Å; V286-I290 VanDerWaalsContact O-CG1 3.31Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3.3Å; V286-L309 HydrophobicContact CG1-CD1 4.45Å; V286-P324 HydrophobicContact CG2-CB 3.61Å; V286-P324 HydrophobicContact CG2-CG 4.44Å; V286-A327 HydrophobicContact CB-CB 4.33Å; V286-A327 HydrophobicContact CG1-CB 4.16Å; V286-A327 HydrophobicContact CG2-CB 4.07Å; V286-Y328 HydrophobicContact CB-CE1 4.29Å; V286-Y328 HydrophobicContact CG1-CD1 3.72Å; V286-Y328 HydrophobicContact CG1-CE1 3.64Å; V286-Y328 HydrophobicContact CG1-CG 4.43Å; V286-Y328 HydrophobicContact CG2-CD1 4.46Å; V286-Y328 HydrophobicContact CG2-CE1 4.08Å; V286-Y328 HydrophobicContact CG2-CE2 4.1Å; V286-I331 HydrophobicContact CG1-CD1 3.72Å
287	T	98.7	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.6	-49.1	174.4	50.2	0	0	0	0	110.2	A283 F284 N289 I290 E291 L304 E306 L309 L337	A283-T287 PolarHBondContact O-N 2.97Å; A283-T287 PolarHBondContact O-OG1 3.39Å; F284-T287 WeakPolarHBondContact CA-OG1 3.46Å; F284-T287 PolarHBondContact O-OG1 3.09Å; T287-N289 VanDerWaalsContact C-N 3.26Å; T287-N289 PolarHBondContact O-N 2.51Å; T287-I290 CarbonylContact O-C 3.53Å; T287-I290 PolarHBondContact O-N 3.09Å; T287-E291 WeakPolarHBondContact O-CB 3.46Å; T287-E291 VanDerWaalsContact O-CG 3.22Å; T287-E291 WeakPolarHBondContact O-CG 3.47Å; T287-E291 PolarHBondContact O-N 3.05Å; T287-L304 HydrophobicContact CG2-CB 4.41Å; T287-E306 WeakPolarHBondContact CB-OE1 3.28Å; T287-E306 HydrophobicContact CG2-CG 3.87Å; T287-E306 WeakPolarHBondContact OG1-CG 3.45Å; T287-E306 PolarHBondContact OG1-OE1 3.49Å; T287-L309 HydrophobicContact CG2-CD1 4Å; T287-L337 HydrophobicContact CG2-CD1 4.15Å
288	G	98.8	Very high	98.1	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-31.5	177.9	0	0	0	0	0	114.3	F284 V286 G292 L420	F284-G288 PolarHBondContact O-N 3.26Å; F284-G288 VanDerWaalsContact O-N 3.11Å; V286-G288 VanDerWaalsContact C-N 3.33Å; V286-G288 PolarHBondContact O-N 2.77Å; G288-G292 PolarHBondContact O-N 2.77Å; G288-L420 WeakPolarHBondContact O-CD2 3.29Å
289	N	98.8	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.2	-46.4	171.1	167	-97.6	0	0	0	111.1	S285 V286 T287 G292 Q293 Y328 P385 L420 S466 A467	S285-N289 PolarHBondContact O-N 2.74Å; V286-N289 WeakPolarHBondContact O-CB 3.24Å; V286-N289 PolarHBondContact O-N 2.75Å; V286-N289 VanDerWaalsContact O-N 3.15Å; T287-N289 VanDerWaalsContact C-N 3.26Å; T287-N289 PolarHBondContact O-N 2.51Å; N289-G292 PolarHBondContact O-N 3.16Å; N289-Q293 WeakPolarHBondContact O-CG 3.48Å; N289-Q293 PolarHBondContact O-N 3.48Å; N289-Y328 PolarHBondContact OD1-OH 3.49Å; N289-Y328 VanDerWaalsContact OD1-OH 3.07Å; N289-P385 PolarHBondContact ND2-O 3.11Å; N289-L420 HydrophobicContact CB-CD1 3.87Å; N289-S466 WeakPolarHBondContact ND2-CB 3.18Å; N289-S466 PolarHBondContact ND2-OG 2.81Å; N289-S466 WeakPolarHBondContact OD1-CA 3.36Å; N289-S466 PolarHBondContact OD1-OG 3.07Å; N289-A467 WeakPolarHBondContact OD1-CB 3.27Å; N289-A467 PolarHBondContact OD1-N 3.21Å
290	I	98.8	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-178.8	-64	169.5	0	0	0	111.2	V286 T287 G292 Q293 W294 L304 Y328 I331 L337 I363 A467	V286-I290 HydrophobicContact CG1-CD1 3.72Å; V286-I290 HydrophobicContact CG1-CG1 4.48Å; V286-I290 VanDerWaalsContact O-CG1 3.31Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3.3Å; T287-I290 CarbonylContact O-C 3.53Å; T287-I290 PolarHBondContact O-N 3.09Å; I290-G292 VanDerWaalsContact C-N 3.29Å; I290-G292 PolarHBondContact O-N 2.93Å; I290-Q293 PolarHBondContact O-N 2.74Å; I290-W294 WeakPolarHBondContact O-CB 3.13Å; I290-W294 PolarHBondContact O-N 2.96Å; I290-L304 HydrophobicContact CB-CD1 4.06Å; I290-L304 HydrophobicContact CG2-CD1 3.56Å; I290-Y328 HydrophobicContact CD1-CD1 4.18Å; I290-Y328 HydrophobicContact CD1-CE1 4.21Å; I290-Y328 HydrophobicContact CG1-CE1 4.13Å; I290-I331 HydrophobicContact CD1-CD1 3.34Å; I290-L337 HydrophobicContact CD1-CD1 4.27Å; I290-I363 HydrophobicContact CB-CG2 4.46Å; I290-I363 HydrophobicContact CD1-CD1 4.4Å; I290-I363 HydrophobicContact CD1-CG2 3.71Å; I290-I363 HydrophobicContact CG1-CG2 3.76Å; I290-I363 HydrophobicContact CG2-CG2 3.84Å; I290-A467 HydrophobicContact CG1-CB 3.71Å
291	E	98.9	Very high	98.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-54.3	-46.3	172.9	-70.5	170.4	171.8	0	0	110.8	S270 K273 T287 F295 L301 L302 S303 L304	S270-E291 WeakPolarHBondContact CB-OE2 3.19Å; S270-E291 PolarHBondContact OG-OE2 2.81Å; K273-E291 IonicContact NZ-OE1 3.77Å; K273-E291 PolarHBondContact NZ-OE1 3.39Å; T287-E291 WeakPolarHBondContact O-CB 3.46Å; T287-E291 VanDerWaalsContact O-CG 3.22Å; T287-E291 WeakPolarHBondContact O-CG 3.47Å; T287-E291 PolarHBondContact O-N 3.05Å; E291-F295 WeakPolarHBondContact O-CB 3.28Å; E291-F295 PolarHBondContact O-N 2.68Å; E291-L301 HydrophobicContact CB-CD1 4.34Å; E291-L302 VanDerWaalsContact CG-O 3.25Å; E291-L302 WeakPolarHBondContact CG-O 3.38Å; E291-S303 WeakPolarHBondContact OE1-CA 3.42Å; E291-L304 HydrophobicContact CG-CB 4.17Å; E291-L304 HydrophobicContact CG-CD1 3.93Å; E291-L304 HydrophobicContact CG-CG 3.81Å; E291-L304 PolarHBondContact OE1-N 2.76Å
292	G	98.7	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-47	175.7	0	0	0	0	0	113.6	A268 G288 N289 I290 W294 F295 L296	A268-G292 VanDerWaalsContact O-CA 3.26Å; A268-G292 WeakPolarHBondContact O-CA 3.19Å; G288-G292 PolarHBondContact O-N 2.77Å; N289-G292 PolarHBondContact O-N 3.16Å; I290-G292 VanDerWaalsContact C-N 3.29Å; I290-G292 PolarHBondContact O-N 2.93Å; G292-W294 VanDerWaalsContact C-N 3.32Å; G292-W294 PolarHBondContact O-N 3.16Å; G292-F295 PolarHBondContact O-N 3.35Å; G292-L296 WeakPolarHBondContact O-CB 3.17Å; G292-L296 WeakPolarHBondContact O-CD1 3.44Å; G292-L296 WeakPolarHBondContact O-CG 3.3Å; G292-L296 PolarHBondContact O-N 3.04Å
293	Q	98.7	Very high	98.2	Very high	21 Å²	21	30.8 Å²	30.8	10%	0.098	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-38.6	176.9	-67.5	-57.1	-51	0	0	112.1	N289 I290 L296 K297 K383 S466 A467 V469	N289-Q293 WeakPolarHBondContact O-CG 3.48Å; N289-Q293 PolarHBondContact O-N 3.48Å; I290-Q293 PolarHBondContact O-N 2.74Å; Q293-L296 PolarHBondContact O-N 2.83Å; Q293-K297 WeakPolarHBondContact O-CB 3.4Å; Q293-K297 PolarHBondContact O-N 2.94Å; Q293-K383 PolarHBondContact NE2-O 2.85Å; Q293-K383 PolarHBondContact OE1-O 3.03Å; Q293-S466 WeakPolarHBondContact CG-OG 3.15Å; Q293-S466 PolarHBondContact NE2-OG 2.84Å; Q293-A467 HydrophobicContact CG-CB 4.41Å; Q293-V469 HydrophobicContact CB-CG2 3.92Å
294	W	98.6	Very high	98.2	Very high	32 Å²	32	30.8 Å²	30.8	12%	0.121	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-42.5	177.5	-169.5	-92.7	0	0	0	111.6	I290 G292 K297 N298 L302 A360 A361 Y362 V469	I290-W294 WeakPolarHBondContact O-CB 3.13Å; I290-W294 PolarHBondContact O-N 2.96Å; G292-W294 VanDerWaalsContact C-N 3.32Å; G292-W294 PolarHBondContact O-N 3.16Å; W294-K297 PolarHBondContact O-N 3.01Å; W294-N298 WeakPolarHBondContact CZ2-ND2 3.35Å; W294-N298 WeakPolarHBondContact O-CB 3.48Å; W294-N298 PolarHBondContact O-N 2.89Å; W294-L302 HydrophobicContact CG-CD1 4.47Å; W294-A360 VanDerWaalsContact CZ2-O 3.3Å; W294-A360 WeakPolarHBondContact CZ2-O 3.48Å; W294-A361 HydrophobicContact CD2-CB 3.66Å; W294-A361 HydrophobicContact CE3-CB 3.7Å; W294-A361 HydrophobicContact CG-CB 4.14Å; W294-A361 HydrophobicContact CH2-CB 4.42Å; W294-A361 HydrophobicContact CZ2-CB 4.36Å; W294-A361 HydrophobicContact CZ3-CB 4.11Å; W294-Y362 AromaticContact CH2-CD1 3.78Å; W294-Y362 HydrophobicContact CH2-CD1 3.78Å; W294-Y362 AromaticContact CH2-CE1 3.73Å; W294-Y362 HydrophobicContact CH2-CE1 3.73Å; W294-Y362 AromaticContact CZ3-CD1 3.79Å; W294-Y362 HydrophobicContact CZ3-CD1 3.79Å; W294-Y362 AromaticContact CZ3-CE1 3.89Å; W294-Y362 HydrophobicContact CZ3-CE1 3.89Å; W294-Y362 HydrophobicContact CZ3-CG 4.12Å; W294-Y362 VanDerWaalsContact CZ3-N 3.25Å; W294-V469 HydrophobicContact CE3-CG1 3.55Å; W294-V469 HydrophobicContact CE3-CG2 4.38Å; W294-V469 HydrophobicContact CZ3-CG1 3.73Å
295	F	98.6	Very high	98.2	Very high	49 Å²	49	30 Å²	30	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-46.8	171.3	171.2	-95.3	0	0	0	111.6	H266 G267 A268 E291 G292 K297 G299 T300 L301	H266-F295 WeakPolarHBondContact O-CE1 3.29Å; H266-F295 VanDerWaalsContact O-CZ 3.3Å; H266-F295 WeakPolarHBondContact O-CZ 3.42Å; G267-F295 WeakPolarHBondContact O-CD2 3.46Å; A268-F295 HydrophobicContact CB-CD1 3.52Å; A268-F295 HydrophobicContact CB-CE1 4.06Å; A268-F295 HydrophobicContact CB-CG 4.35Å; E291-F295 WeakPolarHBondContact O-CB 3.28Å; E291-F295 PolarHBondContact O-N 2.68Å; G292-F295 PolarHBondContact O-N 3.35Å; F295-K297 VanDerWaalsContact C-N 3.26Å; F295-K297 PolarHBondContact O-N 3.38Å; F295-G299 VanDerWaalsContact O-CA 3.25Å; F295-G299 WeakPolarHBondContact O-CA 3.4Å; F295-G299 PolarHBondContact O-N 3.46Å; F295-T300 WeakPolarHBondContact CA-O 3.44Å; F295-L301 HydrophobicContact CB-CB 4.34Å; F295-L301 HydrophobicContact CB-CD1 4.05Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CG-CB 4.4Å
296	L	98.1	Very high	98.2	Very high	69 Å²	69	30 Å²	30	36%	0.361	17%	0.17	S	C	.	.	H	α-helix	trans	-61.7	-33.6	178.8	-78.1	158	0	0	0	113.3	W263 A268 G292 Q293 K383	W263-L296 HydrophobicContact CH2-CD2 3.6Å; W263-L296 HydrophobicContact CZ2-CD2 4.36Å; W263-L296 HydrophobicContact CZ3-CD2 3.72Å; A268-L296 HydrophobicContact CB-CG 4.5Å; G292-L296 WeakPolarHBondContact O-CB 3.17Å; G292-L296 WeakPolarHBondContact O-CD1 3.44Å; G292-L296 WeakPolarHBondContact O-CG 3.3Å; G292-L296 PolarHBondContact O-N 3.04Å; Q293-L296 PolarHBondContact O-N 2.83Å; L296-K383 WeakPolarHBondContact CD1-O 3.22Å
297	K	97.9	Very high	98.2	Very high	97 Å²	97	30 Å²	30	42%	0.422	17%	0.17	S	C	.	.	H	α-helix	trans	-83.3	-41.2	-179.4	175.9	62.8	-154.7	-172.5	0	113.3	Q293 W294 F295 V469 N470	Q293-K297 WeakPolarHBondContact O-CB 3.4Å; Q293-K297 PolarHBondContact O-N 2.94Å; W294-K297 PolarHBondContact O-N 3.01Å; F295-K297 VanDerWaalsContact C-N 3.26Å; F295-K297 PolarHBondContact O-N 3.38Å; K297-V469 HydrophobicContact CB-CB 4.25Å; K297-V469 HydrophobicContact CB-CG1 4.16Å; K297-V469 HydrophobicContact CG-CB 4.3Å; K297-V469 HydrophobicContact CG-CG1 3.87Å; K297-N470 VanDerWaalsContact CE-C 3.41Å; K297-N470 VanDerWaalsContact CE-O 3.29Å; K297-N470 WeakPolarHBondContact CE-O 3.1Å; K297-N470 WeakPolarHBondContact CE-OXT 3.22Å; K297-N470 VanDerWaalsContact NZ-C 3.34Å; K297-N470 PolarHBondContact NZ-OXT 3.35Å
298	N	96.9	Very high	98.1	Very high	75 Å²	75	30 Å²	30	40%	0.401	17%	0.17	S	C	.	.	H	α-helix	trans	-117.8	-8	-166.1	-63.1	-51.7	0	0	0	114.6	W294 T300	W294-N298 WeakPolarHBondContact CZ2-ND2 3.35Å; W294-N298 WeakPolarHBondContact O-CB 3.48Å; W294-N298 PolarHBondContact O-N 2.89Å; N298-T300 VanDerWaalsContact C-N 3.26Å; N298-T300 PolarHBondContact O-N 3.48Å
299	G	96.6	Very high	98	Very high	55 Å²	55	29.9 Å²	29.9	57%	0.567	17%	0.169	S	C	*	.	S	Bend	trans	79.2	-3.2	179.8	0	0	0	0	0	115.6	F295	F295-G299 VanDerWaalsContact O-CA 3.25Å; F295-G299 WeakPolarHBondContact O-CA 3.4Å; F295-G299 PolarHBondContact O-N 3.46Å
300	T	95.5	Very high	98	Very high	81 Å²	81	29.9 Å²	29.9	50%	0.497	17%	0.169	S	C	.	.			trans	-114.3	121.7	-178.8	-57.4	0	0	0	0	110.2	F295 N298 L302	F295-T300 WeakPolarHBondContact CA-O 3.44Å; N298-T300 VanDerWaalsContact C-N 3.26Å; N298-T300 PolarHBondContact O-N 3.48Å; T300-L302 HydrophobicContact CG2-CD2 3.96Å
301	L	98.1	Very high	97.9	Very high	61 Å²	61	30.2 Å²	30.2	32%	0.319	17%	0.17	S	C	.	.			trans	-82.3	124.7	172.8	-175.8	69.8	0	0	0	108.5	G267 E291 F295	G267-L301 WeakPolarHBondContact O-CD2 3.25Å; E291-L301 HydrophobicContact CB-CD1 4.34Å; F295-L301 HydrophobicContact CB-CB 4.34Å; F295-L301 HydrophobicContact CB-CD1 4.05Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CG-CB 4.4Å
302	L	97.9	Very high	97.8	Very high	38 Å²	38	31.3 Å²	31.3	20%	0.199	18%	0.178	C	C	.	.			trans	-105.9	161.1	174.9	-61.7	179.4	0	0	0	109.9	E291 W294 T300 L304 A360 A361	E291-L302 VanDerWaalsContact CG-O 3.25Å; E291-L302 WeakPolarHBondContact CG-O 3.38Å; W294-L302 HydrophobicContact CG-CD1 4.47Å; T300-L302 HydrophobicContact CG2-CD2 3.96Å; L302-L304 HydrophobicContact CB-CD2 4.03Å; L302-L304 HydrophobicContact CB-CG 4.38Å; L302-L304 HydrophobicContact CD1-CD2 4.18Å; L302-A360 HydrophobicContact CD1-CB 4.19Å; L302-A360 WeakPolarHBondContact CD1-O 3.26Å; L302-A361 HydrophobicContact CD1-CB 4.25Å
303	S	98.4	Very high	97.5	Very high	45 Å²	45	31.5 Å²	31.5	32%	0.315	18%	0.179	S	C	.	.			trans	-108.5	112.9	160.7	-178.2	0	0	0	0	106.8	K273 E291 T339 E340	K273-S303 WeakPolarHBondContact CE-OG 3.37Å; K273-S303 PolarHBondContact NZ-OG 3.25Å; E291-S303 WeakPolarHBondContact OE1-CA 3.42Å; S303-T339 CarbonylContact O-C 3.51Å; S303-T339 WeakPolarHBondContact O-CA 3.46Å; S303-E340 PolarHBondContact O-N 3.08Å; S303-E340 WeakPolarHBondContact OG-CB 3.34Å
304	L	98.6	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-96	156.1	-174.9	-61	176.3	0	0	0	111.2	K273 T287 I290 E291 L302 E306 L337 A361	K273-L304 PolarHBondContact NZ-O 2.97Å; T287-L304 HydrophobicContact CG2-CB 4.41Å; I290-L304 HydrophobicContact CB-CD1 4.06Å; I290-L304 HydrophobicContact CG2-CD1 3.56Å; E291-L304 HydrophobicContact CG-CB 4.17Å; E291-L304 HydrophobicContact CG-CD1 3.93Å; E291-L304 HydrophobicContact CG-CG 3.81Å; E291-L304 PolarHBondContact OE1-N 2.76Å; L302-L304 HydrophobicContact CB-CD2 4.03Å; L302-L304 HydrophobicContact CB-CG 4.38Å; L302-L304 HydrophobicContact CD1-CD2 4.18Å; L304-E306 PolarHBondContact O-N 3.48Å; L304-L337 HydrophobicContact CB-CD1 4.18Å; L304-L337 HydrophobicContact CD1-CD1 4.07Å; L304-L337 HydrophobicContact CD2-CB 4.45Å; L304-A361 HydrophobicContact CD1-CB 3.84Å; L304-A361 HydrophobicContact CD2-CB 3.69Å; L304-A361 HydrophobicContact CG-CB 4.43Å
305	S	98.4	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.223	C	C	.	.			trans	-73.7	120.6	-178.6	-177.4	0	0	0	0	112.5	Q307 E308 E338 Y343	S305-Q307 PolarHBondContact OG-N 3.34Å; S305-Q307 VanDerWaalsContact OG-N 3.11Å; S305-E308 PolarHBondContact OG-N 3.02Å; S305-E338 PolarHBondContact N-O 3.44Å; S305-Y343 WeakPolarHBondContact CB-O 3.47Å; S305-Y343 PolarHBondContact OG-O 2.89Å
306	E	98.5	Very high	95.7	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-77.1	-25	161.2	-70.5	85.4	-168.9	0	0	112.7	K273 A283 F284 T287 L304 L309 V310 Y345	K273-E306 WeakPolarHBondContact CD-OE1 3.24Å; K273-E306 VanDerWaalsContact CD-OE2 3.26Å; K273-E306 WeakPolarHBondContact CD-OE2 3.39Å; K273-E306 IonicContact NZ-OE1 2.68Å; K273-E306 PolarHBondContact NZ-OE1 2.93Å; K273-E306 IonicContact NZ-OE2 3.23Å; K273-E306 PolarHBondContact NZ-OE2 2.92Å; A283-E306 HydrophobicContact CB-CB 4.09Å; A283-E306 HydrophobicContact CB-CG 4.21Å; F284-E306 HydrophobicContact CB-CG 4.29Å; F284-E306 HydrophobicContact CD1-CB 4.47Å; F284-E306 HydrophobicContact CD1-CG 3.48Å; F284-E306 VanDerWaalsContact CD1-CG 3.48Å; F284-E306 WeakPolarHBondContact CD1-OE1 3.46Å; F284-E306 HydrophobicContact CD2-CB 4.43Å; F284-E306 HydrophobicContact CD2-CG 3.94Å; F284-E306 HydrophobicContact CE1-CB 4.14Å; F284-E306 HydrophobicContact CE1-CG 3.55Å; F284-E306 WeakPolarHBondContact CE1-OE2 3.34Å; F284-E306 HydrophobicContact CE2-CB 4.1Å; F284-E306 HydrophobicContact CE2-CG 4.01Å; F284-E306 HydrophobicContact CG-CG 3.67Å; F284-E306 HydrophobicContact CZ-CB 3.95Å; F284-E306 HydrophobicContact CZ-CG 3.83Å; T287-E306 WeakPolarHBondContact CB-OE1 3.28Å; T287-E306 HydrophobicContact CG2-CG 3.87Å; T287-E306 WeakPolarHBondContact OG1-CG 3.45Å; T287-E306 PolarHBondContact OG1-OE1 3.49Å; L304-E306 PolarHBondContact O-N 3.48Å; E306-L309 PolarHBondContact O-N 3.16Å; E306-V310 WeakPolarHBondContact O-CG2 3.46Å; E306-V310 PolarHBondContact O-N 2.81Å; E306-V310 VanDerWaalsContact O-N 3.14Å; E306-Y345 HydrophobicContact CB-CD2 3.86Å; E306-Y345 HydrophobicContact CB-CE2 4.09Å
307	Q	98.3	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-38.3	-176.5	-167.6	57.4	44.4	0	0	112	S305 L309 V310 D311 Y343 Y345 K346 H348	S305-Q307 PolarHBondContact OG-N 3.34Å; S305-Q307 VanDerWaalsContact OG-N 3.11Å; Q307-L309 VanDerWaalsContact C-N 3.25Å; Q307-L309 PolarHBondContact O-N 3.3Å; Q307-V310 WeakPolarHBondContact O-CB 3.4Å; Q307-V310 PolarHBondContact O-N 2.93Å; Q307-V310 VanDerWaalsContact O-N 3.07Å; Q307-D311 WeakPolarHBondContact CG-OD2 3.39Å; Q307-D311 PolarHBondContact NE2-OD1 2.73Å; Q307-D311 PolarHBondContact NE2-OD2 2.66Å; Q307-D311 WeakPolarHBondContact O-CB 3.44Å; Q307-D311 PolarHBondContact O-N 3.33Å; Q307-Y343 HydrophobicContact CB-CD1 3.82Å; Q307-Y343 HydrophobicContact CB-CE1 3.95Å; Q307-Y343 HydrophobicContact CG-CD1 3.8Å; Q307-Y343 HydrophobicContact CG-CE1 3.49Å; Q307-Y343 VanDerWaalsContact CG-CE1 3.49Å; Q307-Y345 HydrophobicContact CB-CD2 4.41Å; Q307-K346 HydrophobicContact CG-CG 4.28Å; Q307-H348 PolarHBondContact NE2-O 3.39Å
308	E	97.1	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.6	-42.5	175.2	-169.5	-175.1	141.4	0	0	111	S305 D311 C312 L337 E338 Y343 F354	S305-E308 PolarHBondContact OG-N 3.02Å; E308-D311 PolarHBondContact O-N 3.12Å; E308-C312 WeakPolarHBondContact O-CA 3.48Å; E308-C312 WeakPolarHBondContact O-CB 3.37Å; E308-C312 PolarHBondContact O-N 2.68Å; E308-C312 PolarHBondContact O-SG 3.49Å; E308-L337 HydrophobicContact CB-CD2 4.35Å; E308-L337 HydrophobicContact CG-CD2 4.33Å; E308-L337 WeakPolarHBondContact OE2-CA 3.35Å; E308-E338 WeakPolarHBondContact OE2-CB 3.29Å; E308-E338 PolarHBondContact OE2-N 2.82Å; E308-Y343 HydrophobicContact CB-CD2 3.99Å; E308-Y343 HydrophobicContact CB-CE2 4.15Å; E308-Y343 HydrophobicContact CB-CG 4.44Å; E308-Y343 HydrophobicContact CG-CD2 4.15Å; E308-Y343 HydrophobicContact CG-CE2 4.17Å; E308-F354 VanDerWaalsContact CD-CD2 3.43Å; E308-F354 HydrophobicContact CG-CB 4.38Å; E308-F354 HydrophobicContact CG-CD2 4.09Å; E308-F354 WeakPolarHBondContact OE1-CD2 3.07Å; E308-F354 VanDerWaalsContact OE1-CE2 3.25Å; E308-F354 WeakPolarHBondContact OE1-CE2 3.44Å
309	L	97.4	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-43.5	173.9	-63.2	179.3	0	0	0	112.3	W282 A283 V286 T287 E306 Q307 D311 D313 A327 I331 L337	W282-L309 HydrophobicContact CH2-CB 3.87Å; W282-L309 HydrophobicContact CZ3-CB 3.86Å; W282-L309 HydrophobicContact CZ3-CD1 4.39Å; A283-L309 HydrophobicContact CB-CB 3.98Å; A283-L309 HydrophobicContact CB-CD1 3.84Å; V286-L309 HydrophobicContact CG1-CD1 4.45Å; T287-L309 HydrophobicContact CG2-CD1 4Å; E306-L309 PolarHBondContact O-N 3.16Å; Q307-L309 VanDerWaalsContact C-N 3.25Å; Q307-L309 PolarHBondContact O-N 3.3Å; L309-D311 PolarHBondContact O-N 3.21Å; L309-D313 WeakPolarHBondContact O-CB 3.27Å; L309-D313 PolarHBondContact O-N 3.31Å; L309-D313 VanDerWaalsContact O-N 3.16Å; L309-A327 HydrophobicContact CD1-CB 4.48Å; L309-I331 HydrophobicContact CD1-CD1 4.34Å; L309-I331 HydrophobicContact CD2-CD1 3.95Å; L309-I331 HydrophobicContact CD2-CG1 3.61Å; L309-L337 HydrophobicContact CD2-CD2 4.03Å; L309-L337 HydrophobicContact CG-CD2 4.19Å
310	V	97.6	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-35.5	177.7	169.6	0	0	0	0	111.6	E306 Q307 A318 Y345 K349	E306-V310 WeakPolarHBondContact O-CG2 3.46Å; E306-V310 PolarHBondContact O-N 2.81Å; E306-V310 VanDerWaalsContact O-N 3.14Å; Q307-V310 WeakPolarHBondContact O-CB 3.4Å; Q307-V310 PolarHBondContact O-N 2.93Å; Q307-V310 VanDerWaalsContact O-N 3.07Å; V310-A318 HydrophobicContact CG1-CB 3.97Å; V310-A318 WeakPolarHBondContact O-CB 3.21Å; V310-Y345 HydrophobicContact CG2-CE2 4.36Å; V310-K349 HydrophobicContact CG1-CB 4.41Å; V310-K349 WeakPolarHBondContact O-CG 3.48Å; V310-K349 PolarHBondContact O-NZ 3.24Å
311	D	97.8	Very high	94.6	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-94.2	-47.3	-175	-64.5	-19.1	0	0	0	113.4	Q307 E308 L309 Y343 K349 Q350 C352	Q307-D311 WeakPolarHBondContact CG-OD2 3.39Å; Q307-D311 PolarHBondContact NE2-OD1 2.73Å; Q307-D311 PolarHBondContact NE2-OD2 2.66Å; Q307-D311 WeakPolarHBondContact O-CB 3.44Å; Q307-D311 PolarHBondContact O-N 3.33Å; E308-D311 PolarHBondContact O-N 3.12Å; L309-D311 PolarHBondContact O-N 3.21Å; D311-Y343 VanDerWaalsContact CB-OH 3.31Å; D311-Y343 WeakPolarHBondContact CB-OH 3.25Å; D311-Y343 WeakPolarHBondContact OD2-CE1 3.43Å; D311-Y343 PolarHBondContact OD2-OH 3.2Å; D311-K349 PolarHBondContact O-NZ 2.78Å; D311-K349 WeakPolarHBondContact OD1-CA 3.4Å; D311-Q350 PolarHBondContact OD1-N 2.84Å; D311-C352 HydrophobicContact CB-CB 4.38Å
312	C	96.2	Very high	94.3	Very high	24 Å²	24	27.6 Å²	27.6	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-93.4	-18.3	-169.5	-54.8	0	0	0	0	114.5	E308 G314 L334 C352	E308-C312 WeakPolarHBondContact O-CA 3.48Å; E308-C312 WeakPolarHBondContact O-CB 3.37Å; E308-C312 PolarHBondContact O-N 2.68Å; E308-C312 PolarHBondContact O-SG 3.49Å; C312-G314 PolarHBondContact O-N 2.94Å; C312-L334 HydrophobicContact CB-CD1 4.06Å; C312-L334 HydrophobicContact CB-CD2 4.11Å; C312-C352 HydrophobicContact CB-CB 3.88Å; C312-C352 WeakPolarHBondContact CB-SG 3.4Å; C312-C352 WeakPolarHBondContact SG-CB 3.09Å; C312-C352 CovalentContact SG-SG 2.03Å; C312-C352 PolarHBondContact SG-SG 2.87Å
313	D	91.5	Very high	94.1	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.15	C	C	.	.			trans	-67.1	118.7	170.5	-163.5	-36	0	0	0	109.7	W282 L309 V315 D316 A330	W282-D313 HydrophobicContact CH2-CB 4.02Å; L309-D313 WeakPolarHBondContact O-CB 3.27Å; L309-D313 PolarHBondContact O-N 3.31Å; L309-D313 VanDerWaalsContact O-N 3.16Å; D313-V315 WeakPolarHBondContact OD1-CA 3.28Å; D313-V315 WeakPolarHBondContact OD1-CB 3.4Å; D313-V315 PolarHBondContact OD1-N 3.47Å; D313-D316 HydrophobicContact CB-CB 4.5Å; D313-D316 PolarHBondContact OD1-N 3.28Å; D313-A330 HydrophobicContact CB-CB 4.25Å; D313-A330 WeakPolarHBondContact OD2-CB 3.26Å
314	G	84.4	Confident	93.9	Very high	81 Å²	81	24 Å²	24	84%	0.835	14%	0.137	S	C	*	.	S	Bend	trans	-97.9	-0.7	178.5	0	0	0	0	0	114.5	C312	C312-G314 PolarHBondContact O-N 2.94Å
315	V	85.5	Confident	93.7	Very high	53 Å²	53	24.4 Å²	24.4	32%	0.321	14%	0.139	S	C	.	.	S	Bend	trans	-100.2	-46	177	-175.4	0	0	0	0	110.2	D313 N326	D313-V315 WeakPolarHBondContact OD1-CA 3.28Å; D313-V315 WeakPolarHBondContact OD1-CB 3.4Å; D313-V315 PolarHBondContact OD1-N 3.47Å; V315-N326 HydrophobicContact CG1-CB 4.26Å
316	D	89.6	Confident	93.4	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.059	14%	0.14	C	C	.	.	S	Bend	trans	-84.9	167.8	-180	-77.3	-17.2	0	0	0	113	W282 D313 G322 L323 N326	W282-D316 HydrophobicContact CH2-CB 3.96Å; W282-D316 HydrophobicContact CZ2-CB 3.99Å; W282-D316 HydrophobicContact CZ3-CB 4.4Å; D313-D316 HydrophobicContact CB-CB 4.5Å; D313-D316 PolarHBondContact OD1-N 3.28Å; D316-G322 WeakPolarHBondContact OD1-CA 3.14Å; D316-G322 WeakPolarHBondContact OD2-CA 3.26Å; D316-L323 VanDerWaalsContact CG-N 3.34Å; D316-L323 PolarHBondContact OD1-N 2.84Å; D316-L323 PolarHBondContact OD2-N 2.87Å; D316-N326 WeakPolarHBondContact OD1-CB 3.13Å; D316-N326 PolarHBondContact OD1-ND2 3.18Å; D316-N326 WeakPolarHBondContact OD2-CB 3.41Å
317	Q	91.5	Very high	93.3	Very high	84 Å²	84	24.4 Å²	24.4	39%	0.393	14%	0.139	S	C	.	.			trans	-106.5	27.2	-168.8	-51.2	-169	13.9	0	0	113.3	L237 C319 R320 G321	L237-Q317 HydrophobicContact CD1-CB 4.41Å; L237-Q317 HydrophobicContact CD1-CG 4.11Å; Q317-C319 PolarHBondContact O-N 3.36Å; Q317-R320 HydrophobicContact CB-CB 3.82Å; Q317-R320 WeakPolarHBondContact O-CB 3.26Å; Q317-R320 PolarHBondContact O-N 3.49Å; Q317-G321 CarbonylContact C-O 3.58Å; Q317-G321 WeakPolarHBondContact CA-O 3.41Å; Q317-G321 WeakPolarHBondContact CB-O 3.33Å; Q317-G321 PolarHBondContact N-O 3.15Å
318	A	94.3	Very high	93.2	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.033	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	54.4	-122.1	178.1	0	0	0	0	0	111.4	W282 V310 R320 G321 K349	W282-A318 PolarHBondContact NE1-O 3.48Å; V310-A318 HydrophobicContact CG1-CB 3.97Å; V310-A318 WeakPolarHBondContact O-CB 3.21Å; A318-R320 PolarHBondContact O-N 2.89Å; A318-G321 PolarHBondContact O-N 3.01Å; A318-K349 HydrophobicContact CB-CB 3.84Å; A318-K349 HydrophobicContact CB-CD 3.84Å; A318-K349 HydrophobicContact CB-CG 4.06Å
319	C	94.4	Very high	93.1	Very high	31 Å²	31	25.4 Å²	25.4	21%	0.209	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-67.9	-5.9	176.6	-60.1	0	0	0	0	115.6	C278 G279 Q317 G321	C278-C319 HydrophobicContact CB-CB 3.8Å; C278-C319 WeakPolarHBondContact CB-SG 3.18Å; C278-C319 WeakPolarHBondContact SG-CA 3.36Å; C278-C319 WeakPolarHBondContact SG-CB 3.28Å; C278-C319 CovalentContact SG-SG 2.03Å; C278-C319 PolarHBondContact SG-SG 2.97Å; G279-C319 VanDerWaalsContact CA-O 3.26Å; G279-C319 WeakPolarHBondContact CA-O 3.32Å; G279-C319 PolarHBondContact N-O 3.4Å; Q317-C319 PolarHBondContact O-N 3.36Å; C319-G321 VanDerWaalsContact C-N 3.35Å
320	R	90.1	Very high	93	Very high	193 Å²	193	25.9 Å²	25.9	73%	0.728	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-92.7	2.4	173.8	-59.9	179.6	177.8	176.9	-0.1	112.9	Q317 A318	Q317-R320 HydrophobicContact CB-CB 3.82Å; Q317-R320 WeakPolarHBondContact O-CB 3.26Å; Q317-R320 PolarHBondContact O-N 3.49Å; A318-R320 PolarHBondContact O-N 2.89Å
321	G	91.5	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.			trans	112.4	166.2	179.3	0	0	0	0	0	114	N235 G279 Q317 A318 C319	N235-G321 VanDerWaalsContact CG-CA 3.47Å; N235-G321 WeakPolarHBondContact OD1-CA 3.41Å; G279-G321 WeakPolarHBondContact O-CA 3.08Å; G279-G321 PolarHBondContact O-N 3.31Å; Q317-G321 CarbonylContact C-O 3.58Å; Q317-G321 WeakPolarHBondContact CA-O 3.41Å; Q317-G321 WeakPolarHBondContact CB-O 3.33Å; Q317-G321 PolarHBondContact N-O 3.15Å; A318-G321 PolarHBondContact O-N 3.01Å; C319-G321 VanDerWaalsContact C-N 3.35Å
322	G	92.3	Very high	92.8	Very high	1 Å²	1	28 Å²	28	1%	0.01	16%	0.158	C	C	.	.			trans	-167.4	179.5	-178.5	0	0	0	0	0	111.3	N235 D316	N235-G322 PolarHBondContact ND2-N 2.9Å; N235-G322 PolarHBondContact ND2-O 3.46Å; N235-G322 PolarHBondContact OD1-N 2.98Å; D316-G322 WeakPolarHBondContact OD1-CA 3.14Å; D316-G322 WeakPolarHBondContact OD2-CA 3.26Å
323	L	93	Very high	92.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.177	C	C	.	.			trans	-118.9	134.8	176.4	-60	-176.9	0	0	0	110.3	L238 W241 D316 S325 N326 A327 M463	L238-L323 HydrophobicContact CD2-CD2 3.92Å; W241-L323 HydrophobicContact CB-CD1 3.85Å; W241-L323 HydrophobicContact CB-CD2 4.25Å; W241-L323 HydrophobicContact CB-CG 4.42Å; W241-L323 HydrophobicContact CE3-CD1 4.38Å; D316-L323 VanDerWaalsContact CG-N 3.34Å; D316-L323 PolarHBondContact OD1-N 2.84Å; D316-L323 PolarHBondContact OD2-N 2.87Å; L323-S325 PolarHBondContact O-N 3.37Å; L323-N326 HydrophobicContact CB-CB 4.17Å; L323-N326 WeakPolarHBondContact O-CB 3.42Å; L323-N326 PolarHBondContact O-N 3.13Å; L323-A327 PolarHBondContact O-N 3.31Å; L323-M463 HydrophobicContact CD2-CE 4.47Å
324	P	94.8	Very high	92.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-49.8	-37	172.2	-31.7	37.3	0	0	0	114	V286 Y328 A418	V286-P324 HydrophobicContact CG2-CB 3.61Å; V286-P324 HydrophobicContact CG2-CG 4.44Å; P324-Y328 HydrophobicContact CB-CE2 4.46Å; P324-Y328 WeakPolarHBondContact O-CD2 3.37Å; P324-Y328 PolarHBondContact O-N 2.86Å; P324-Y328 VanDerWaalsContact O-N 3.08Å; P324-A418 HydrophobicContact CG-CB 4.25Å
325	S	93.2	Very high	93.3	Very high	8 Å²	8	33.4 Å²	33.4	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-39.1	174.8	56.1	0	0	0	0	114.1	L243 L323 E329	L243-S325 VanDerWaalsContact CD2-OG 3.24Å; L243-S325 WeakPolarHBondContact CD2-OG 3.27Å; L323-S325 PolarHBondContact O-N 3.37Å; S325-E329 PolarHBondContact O-N 2.93Å
326	N	93.5	Very high	93.8	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-72.6	-42.5	180	-65.9	-3.5	0	0	0	109.6	V315 D316 L323 Y328 E329 A330	V315-N326 HydrophobicContact CG1-CB 4.26Å; D316-N326 WeakPolarHBondContact OD1-CB 3.13Å; D316-N326 PolarHBondContact OD1-ND2 3.18Å; D316-N326 WeakPolarHBondContact OD2-CB 3.41Å; L323-N326 HydrophobicContact CB-CB 4.17Å; L323-N326 WeakPolarHBondContact O-CB 3.42Å; L323-N326 PolarHBondContact O-N 3.13Å; N326-Y328 PolarHBondContact O-N 3.13Å; N326-E329 CarbonylContact O-C 3.49Å; N326-E329 WeakPolarHBondContact O-CA 3.47Å; N326-E329 WeakPolarHBondContact O-CB 3.39Å; N326-E329 PolarHBondContact O-N 3.06Å; N326-A330 PolarHBondContact O-N 3.46Å
327	A	95.6	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-44.1	176.1	0	0	0	0	0	112.9	W282 V286 L309 L323 E329 A330 I331	W282-A327 HydrophobicContact CE3-CB 3.65Å; W282-A327 HydrophobicContact CZ3-CB 3.58Å; V286-A327 HydrophobicContact CB-CB 4.33Å; V286-A327 HydrophobicContact CG1-CB 4.16Å; V286-A327 HydrophobicContact CG2-CB 4.07Å; L309-A327 HydrophobicContact CD1-CB 4.48Å; L323-A327 PolarHBondContact O-N 3.31Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 3.47Å; A327-A330 WeakPolarHBondContact O-CB 3.32Å; A327-A330 PolarHBondContact O-N 3.4Å; A327-I331 WeakPolarHBondContact O-CD1 3.4Å; A327-I331 VanDerWaalsContact O-CG1 3.25Å; A327-I331 WeakPolarHBondContact O-CG1 3.33Å; A327-I331 PolarHBondContact O-N 2.78Å
328	Y	97	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-43.7	171.2	-65.3	-58.1	0	0	0	111.5	M247 V286 N289 I290 P324 N326 A330 I331 E332 I363 S366 S387 A467	M247-Y328 HydrophobicContact SD-CD2 4.25Å; V286-Y328 HydrophobicContact CB-CE1 4.29Å; V286-Y328 HydrophobicContact CG1-CD1 3.72Å; V286-Y328 HydrophobicContact CG1-CE1 3.64Å; V286-Y328 HydrophobicContact CG1-CG 4.43Å; V286-Y328 HydrophobicContact CG2-CD1 4.46Å; V286-Y328 HydrophobicContact CG2-CE1 4.08Å; V286-Y328 HydrophobicContact CG2-CE2 4.1Å; N289-Y328 PolarHBondContact OD1-OH 3.49Å; N289-Y328 VanDerWaalsContact OD1-OH 3.07Å; I290-Y328 HydrophobicContact CD1-CD1 4.18Å; I290-Y328 HydrophobicContact CD1-CE1 4.21Å; I290-Y328 HydrophobicContact CG1-CE1 4.13Å; P324-Y328 HydrophobicContact CB-CE2 4.46Å; P324-Y328 WeakPolarHBondContact O-CD2 3.37Å; P324-Y328 PolarHBondContact O-N 2.86Å; P324-Y328 VanDerWaalsContact O-N 3.08Å; N326-Y328 PolarHBondContact O-N 3.13Å; Y328-A330 VanDerWaalsContact C-N 3.3Å; Y328-A330 PolarHBondContact O-N 3.48Å; Y328-I331 PolarHBondContact O-N 3.36Å; Y328-E332 WeakPolarHBondContact O-CG 3.49Å; Y328-E332 PolarHBondContact O-N 3.48Å; Y328-I363 HydrophobicContact CD1-CD1 3.72Å; Y328-I363 HydrophobicContact CG-CD1 4.24Å; Y328-S366 VanDerWaalsContact CD2-CB 3.46Å; Y328-S387 VanDerWaalsContact OH-CB 3.25Å; Y328-S387 WeakPolarHBondContact OH-CB 3.4Å; Y328-A467 HydrophobicContact CD1-CB 4.09Å; Y328-A467 HydrophobicContact CE1-CB 3.76Å
329	E	94.3	Very high	94.8	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-32.3	177.2	-169.4	-177.9	146.7	0	0	112.6	H244 R245 S325 N326 A327 K333	H244-E329 IonicContact CD2-OE1 3.71Å; H244-E329 IonicContact CD2-OE2 3.83Å; R245-E329 WeakPolarHBondContact CB-OE2 3.23Å; R245-E329 WeakPolarHBondContact CD-OE2 3.39Å; S325-E329 PolarHBondContact O-N 2.93Å; N326-E329 CarbonylContact O-C 3.49Å; N326-E329 WeakPolarHBondContact O-CA 3.47Å; N326-E329 WeakPolarHBondContact O-CB 3.39Å; N326-E329 PolarHBondContact O-N 3.06Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 3.47Å; E329-K333 HydrophobicContact CG-CD 4.49Å; E329-K333 WeakPolarHBondContact O-CD 3.42Å; E329-K333 VanDerWaalsContact O-CG 3.27Å; E329-K333 WeakPolarHBondContact O-CG 3.29Å; E329-K333 PolarHBondContact O-N 3.38Å; E329-K333 VanDerWaalsContact OE1-CE 3.25Å; E329-K333 WeakPolarHBondContact OE1-CE 3.44Å; E329-K333 IonicContact OE1-NZ 2.63Å; E329-K333 PolarHBondContact OE1-NZ 2.85Å
330	A	94.1	Very high	94.9	Very high	9 Å²	9	27.8 Å²	27.8	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-45	173.1	0	0	0	0	0	111.2	D313 N326 A327 Y328 K333 L334	D313-A330 HydrophobicContact CB-CB 4.25Å; D313-A330 WeakPolarHBondContact OD2-CB 3.26Å; N326-A330 PolarHBondContact O-N 3.46Å; A327-A330 WeakPolarHBondContact O-CB 3.32Å; A327-A330 PolarHBondContact O-N 3.4Å; Y328-A330 VanDerWaalsContact C-N 3.3Å; Y328-A330 PolarHBondContact O-N 3.48Å; A330-K333 CarbonylContact O-C 3.58Å; A330-K333 WeakPolarHBondContact O-CB 3.48Å; A330-K333 PolarHBondContact O-N 3.22Å; A330-L334 WeakPolarHBondContact O-CG 3.2Å; A330-L334 PolarHBondContact O-N 3.41Å
331	I	96.6	Very high	95.3	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-42.8	176.6	-61.6	162.8	0	0	0	111.1	V286 I290 L309 A327 Y328 K333 L334 G335 G336 L337 I363	V286-I331 HydrophobicContact CG1-CD1 3.72Å; I290-I331 HydrophobicContact CD1-CD1 3.34Å; L309-I331 HydrophobicContact CD1-CD1 4.34Å; L309-I331 HydrophobicContact CD2-CD1 3.95Å; L309-I331 HydrophobicContact CD2-CG1 3.61Å; A327-I331 WeakPolarHBondContact O-CD1 3.4Å; A327-I331 VanDerWaalsContact O-CG1 3.25Å; A327-I331 WeakPolarHBondContact O-CG1 3.33Å; A327-I331 PolarHBondContact O-N 2.78Å; Y328-I331 PolarHBondContact O-N 3.36Å; I331-K333 PolarHBondContact O-N 3.44Å; I331-L334 PolarHBondContact O-N 3Å; I331-G335 PolarHBondContact O-N 2.71Å; I331-G336 PolarHBondContact O-N 2.61Å; I331-L337 HydrophobicContact CD1-CD1 3.81Å; I331-L337 HydrophobicContact CD1-CD2 4.37Å; I331-L337 HydrophobicContact CD1-CG 4.17Å; I331-L337 HydrophobicContact CG1-CD1 4.26Å; I331-L337 HydrophobicContact CG1-CD2 4Å; I331-L337 HydrophobicContact CG1-CG 4.06Å; I331-L337 HydrophobicContact CG2-CG 4.16Å; I331-I363 HydrophobicContact CB-CD1 4.1Å; I331-I363 HydrophobicContact CB-CG1 4.38Å; I331-I363 HydrophobicContact CG2-CD1 4.11Å; I331-I363 HydrophobicContact CG2-CG1 3.94Å
332	E	94.8	Very high	95.6	Very high	52 Å²	52	29.3 Å²	29.3	24%	0.243	16%	0.157	C	C	.	.	H	α-helix	trans	-54.7	-34.3	172.3	-77.8	175.2	-136.1	0	0	111.8	R245 Y328 I363 S365 S366	R245-E332 IonicContact NH1-OE2 2.94Å; R245-E332 PolarHBondContact NH1-OE2 2.96Å; Y328-E332 WeakPolarHBondContact O-CG 3.49Å; Y328-E332 PolarHBondContact O-N 3.48Å; E332-I363 HydrophobicContact CG-CD1 4.23Å; E332-I363 HydrophobicContact CG-CG1 4.01Å; E332-S365 WeakPolarHBondContact OE1-CA 3.45Å; E332-S366 PolarHBondContact OE1-N 2.92Å
333	K	93.4	Very high	95.8	Very high	131 Å²	131	30.2 Å²	30.2	57%	0.57	16%	0.161	S	C	*	.	H	α-helix	trans	-85.6	-36	179.8	-71.6	167.3	-174.8	164.7	0	114	E329 A330 I331 G335	E329-K333 HydrophobicContact CG-CD 4.49Å; E329-K333 WeakPolarHBondContact O-CD 3.42Å; E329-K333 VanDerWaalsContact O-CG 3.27Å; E329-K333 WeakPolarHBondContact O-CG 3.29Å; E329-K333 PolarHBondContact O-N 3.38Å; E329-K333 VanDerWaalsContact OE1-CE 3.25Å; E329-K333 WeakPolarHBondContact OE1-CE 3.44Å; E329-K333 IonicContact OE1-NZ 2.63Å; E329-K333 PolarHBondContact OE1-NZ 2.85Å; A330-K333 CarbonylContact O-C 3.58Å; A330-K333 WeakPolarHBondContact O-CB 3.48Å; A330-K333 PolarHBondContact O-N 3.22Å; I331-K333 PolarHBondContact O-N 3.44Å; K333-G335 VanDerWaalsContact C-N 3.26Å
334	L	93.9	Very high	96.1	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.236	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-29.1	175.3	-70.7	169	0	0	0	111.2	C312 A330 I331 F354	C312-L334 HydrophobicContact CB-CD1 4.06Å; C312-L334 HydrophobicContact CB-CD2 4.11Å; A330-L334 WeakPolarHBondContact O-CG 3.2Å; A330-L334 PolarHBondContact O-N 3.41Å; I331-L334 PolarHBondContact O-N 3Å; L334-F354 HydrophobicContact CB-CE1 4.3Å; L334-F354 HydrophobicContact CB-CZ 4.24Å; L334-F354 HydrophobicContact CD2-CD1 4.08Å; L334-F354 HydrophobicContact CD2-CE1 4.29Å; L334-F354 WeakPolarHBondContact O-CE1 3.34Å; L334-F354 WeakPolarHBondContact O-CZ 3.43Å
335	G	95.7	Very high	96.2	Very high	46 Å²	46	33.8 Å²	33.8	47%	0.474	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-0.7	-178.6	0	0	0	0	0	113.7	I331 K333 Y362	I331-G335 PolarHBondContact O-N 2.71Å; K333-G335 VanDerWaalsContact C-N 3.26Å; G335-Y362 WeakPolarHBondContact O-CB 3.26Å
336	G	96.9	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	160.6	-157.7	175.5	0	0	0	0	0	112.9	I331 A361	I331-G336 PolarHBondContact O-N 2.61Å; G336-A361 CarbonylContact C-O 3.59Å; G336-A361 WeakPolarHBondContact CA-O 3.47Å
337	L	98.1	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-138.5	144.1	174	-72.9	175.4	0	0	0	110.2	T287 I290 L304 E308 L309 I331 A360 A361	T287-L337 HydrophobicContact CG2-CD1 4.15Å; I290-L337 HydrophobicContact CD1-CD1 4.27Å; L304-L337 HydrophobicContact CB-CD1 4.18Å; L304-L337 HydrophobicContact CD1-CD1 4.07Å; L304-L337 HydrophobicContact CD2-CB 4.45Å; E308-L337 HydrophobicContact CB-CD2 4.35Å; E308-L337 HydrophobicContact CG-CD2 4.33Å; E308-L337 WeakPolarHBondContact OE2-CA 3.35Å; L309-L337 HydrophobicContact CD2-CD2 4.03Å; L309-L337 HydrophobicContact CG-CD2 4.19Å; I331-L337 HydrophobicContact CD1-CD1 3.81Å; I331-L337 HydrophobicContact CD1-CD2 4.37Å; I331-L337 HydrophobicContact CD1-CG 4.17Å; I331-L337 HydrophobicContact CG1-CD1 4.26Å; I331-L337 HydrophobicContact CG1-CD2 4Å; I331-L337 HydrophobicContact CG1-CG 4.06Å; I331-L337 HydrophobicContact CG2-CG 4.16Å; L337-A360 PolarHBondContact O-N 2.03Å; L337-A361 PolarHBondContact N-O 3.24Å; L337-A361 PolarHBondContact O-N 2.8Å
338	E	98.5	Very high	96.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.			trans	-75.5	168.6	165.7	-61.4	-172	-156.3	0	0	111.5	S305 E308 D342 F354 T355 K358	S305-E338 PolarHBondContact N-O 3.44Å; E308-E338 WeakPolarHBondContact OE2-CB 3.29Å; E308-E338 PolarHBondContact OE2-N 2.82Å; E338-D342 HydrophobicContact CB-CB 4.34Å; E338-F354 HydrophobicContact CG-CD2 4.22Å; E338-F354 HydrophobicContact CG-CE2 4.46Å; E338-T355 PolarHBondContact OE1-N 3.44Å; E338-K358 HydrophobicContact CG-CB 3.72Å; E338-K358 HydrophobicContact CG-CD 4.46Å; E338-K358 WeakPolarHBondContact OE2-CD 3.44Å; E338-K358 IonicContact OE2-NZ 2.83Å; E338-K358 PolarHBondContact OE2-NZ 2.68Å; E338-K358 VanDerWaalsContact OE2-NZ 3.13Å
339	T	98.4	Very high	96.4	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.135	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-77.5	156.9	172.3	79.5	0	0	0	0	111.6	S303 M341 D342 Y343 A360	S303-T339 CarbonylContact O-C 3.51Å; S303-T339 WeakPolarHBondContact O-CA 3.46Å; T339-M341 PolarHBondContact O-N 3.4Å; T339-M341 VanDerWaalsContact O-N 3.16Å; T339-M341 PolarHBondContact OG1-N 3.04Å; T339-D342 PolarHBondContact O-N 2.79Å; T339-D342 PolarHBondContact OG1-N 2.81Å; T339-D342 VanDerWaalsContact OG1-N 3.12Å; T339-D342 PolarHBondContact OG1-OD2 2.89Å; T339-Y343 PolarHBondContact O-N 3.35Å; T339-A360 HydrophobicContact CG2-CB 3.49Å; T339-A360 VanDerWaalsContact CG2-CB 3.49Å
340	E	98.1	Very high	96.5	Very high	41 Å²	41	51.2 Å²	51.2	19%	0.192	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.9	170.5	179.3	53.6	-152.4	0	0	112.5	S303 S344 Y345	S303-E340 PolarHBondContact O-N 3.08Å; S303-E340 WeakPolarHBondContact OG-CB 3.34Å; E340-S344 WeakPolarHBondContact O-CA 3.38Å; E340-S344 WeakPolarHBondContact O-CB 3.22Å; E340-S344 PolarHBondContact O-N 3.24Å; E340-S344 PolarHBondContact O-OG 3.3Å; E340-S344 WeakPolarHBondContact OE1-CA 3.17Å; E340-Y345 WeakPolarHBondContact OE1-CB 3.47Å; E340-Y345 PolarHBondContact OE1-N 2.86Å; E340-Y345 PolarHBondContact OE2-N 3.29Å
341	M	97.1	Very high	96.6	Very high	157 Å²	157	56.8 Å²	56.8	77%	0.773	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-36.2	173.4	-176.4	178.8	64.8	0	0	111.9	T339	T339-M341 PolarHBondContact O-N 3.4Å; T339-M341 VanDerWaalsContact O-N 3.16Å; T339-M341 PolarHBondContact OG1-N 3.04Å
342	D	97.4	Very high	96.6	Very high	68 Å²	68	59.4 Å²	59.4	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-29.2	-176.6	-68.1	-62.3	0	0	0	113.5	E338 T339 K358	E338-D342 HydrophobicContact CB-CB 4.34Å; T339-D342 PolarHBondContact O-N 2.79Å; T339-D342 PolarHBondContact OG1-N 2.81Å; T339-D342 VanDerWaalsContact OG1-N 3.12Å; T339-D342 PolarHBondContact OG1-OD2 2.89Å; D342-K358 HydrophobicContact CB-CD 4.16Å; D342-K358 PolarHBondContact O-NZ 3.48Å
343	Y	98	Very high	96.7	Very high	21 Å²	21	62.9 Å²	62.9	8%	0.082	33%	0.334	C	S	.	.	S	Bend	trans	-139.4	71.4	177.1	-160.3	-27.1	0	0	0	110.2	S305 Q307 E308 D311 T339 D353	S305-Y343 WeakPolarHBondContact CB-O 3.47Å; S305-Y343 PolarHBondContact OG-O 2.89Å; Q307-Y343 HydrophobicContact CB-CD1 3.82Å; Q307-Y343 HydrophobicContact CB-CE1 3.95Å; Q307-Y343 HydrophobicContact CG-CD1 3.8Å; Q307-Y343 HydrophobicContact CG-CE1 3.49Å; Q307-Y343 VanDerWaalsContact CG-CE1 3.49Å; E308-Y343 HydrophobicContact CB-CD2 3.99Å; E308-Y343 HydrophobicContact CB-CE2 4.15Å; E308-Y343 HydrophobicContact CB-CG 4.44Å; E308-Y343 HydrophobicContact CG-CD2 4.15Å; E308-Y343 HydrophobicContact CG-CE2 4.17Å; D311-Y343 VanDerWaalsContact CB-OH 3.31Å; D311-Y343 WeakPolarHBondContact CB-OH 3.25Å; D311-Y343 WeakPolarHBondContact OD2-CE1 3.43Å; D311-Y343 PolarHBondContact OD2-OH 3.2Å; T339-Y343 PolarHBondContact O-N 3.35Å; Y343-D353 HydrophobicContact CE2-CB 4.36Å; Y343-D353 PolarHBondContact OH-N 3.3Å; Y343-D353 VanDerWaalsContact OH-N 3.12Å
344	S	97.8	Very high	96.8	Very high	43 Å²	43	58.9 Å²	58.9	30%	0.301	32%	0.317	S	S	.	.			trans	-73.5	148	-170.7	-29.7	0	0	0	0	115.4	E340 K346	E340-S344 WeakPolarHBondContact O-CA 3.38Å; E340-S344 WeakPolarHBondContact O-CB 3.22Å; E340-S344 PolarHBondContact O-N 3.24Å; E340-S344 PolarHBondContact O-OG 3.3Å; E340-S344 WeakPolarHBondContact OE1-CA 3.17Å; S344-K346 WeakPolarHBondContact O-CE 3.34Å; S344-K346 PolarHBondContact O-NZ 3.11Å
345	Y	98.3	Very high	96.8	Very high	39 Å²	39	58.1 Å²	58.1	15%	0.153	31%	0.314	C	S	.	.			trans	-55.9	136.3	179.5	-162.9	-105	0	0	0	115.3	Q275 C278 S280 F284 E306 Q307 V310 E340 G347	Q275-Y345 WeakPolarHBondContact O-CE1 3.37Å; Q275-Y345 PolarHBondContact O-OH 3.14Å; C278-Y345 PolarHBondContact SG-OH 3.15Å; S280-Y345 PolarHBondContact OG-OH 3.44Å; F284-Y345 HydrophobicContact CE2-CD2 4.31Å; F284-Y345 HydrophobicContact CE2-CE1 4.33Å; F284-Y345 AromaticContact CE2-CE2 3.64Å; F284-Y345 HydrophobicContact CE2-CE2 3.64Å; F284-Y345 AromaticContact CE2-CZ 3.65Å; F284-Y345 HydrophobicContact CZ-CD1 4.18Å; F284-Y345 AromaticContact CZ-CD2 3.84Å; F284-Y345 HydrophobicContact CZ-CD2 3.84Å; F284-Y345 AromaticContact CZ-CE1 3.99Å; F284-Y345 HydrophobicContact CZ-CE1 3.99Å; F284-Y345 AromaticContact CZ-CE2 3.61Å; F284-Y345 HydrophobicContact CZ-CE2 3.61Å; F284-Y345 HydrophobicContact CZ-CG 4.11Å; F284-Y345 AromaticContact CZ-CZ 3.69Å; E306-Y345 HydrophobicContact CB-CD2 3.86Å; E306-Y345 HydrophobicContact CB-CE2 4.09Å; Q307-Y345 HydrophobicContact CB-CD2 4.41Å; V310-Y345 HydrophobicContact CG2-CE2 4.36Å; E340-Y345 WeakPolarHBondContact OE1-CB 3.47Å; E340-Y345 PolarHBondContact OE1-N 2.86Å; E340-Y345 PolarHBondContact OE2-N 3.29Å; Y345-G347 VanDerWaalsContact CE1-N 3.35Å
346	K	97.6	Very high	96.6	Very high	100 Å²	100	61.5 Å²	61.5	44%	0.435	32%	0.321	S	S	.	.			trans	-125	-10.1	-178.1	-53.2	-62.4	-179.5	-109.8	0	113.7	Q307 S344 H348	Q307-K346 HydrophobicContact CG-CG 4.28Å; S344-K346 WeakPolarHBondContact O-CE 3.34Å; S344-K346 PolarHBondContact O-NZ 3.11Å; K346-H348 VanDerWaalsContact C-N 3.26Å; K346-H348 PolarHBondContact O-N 3.01Å; K346-H348 PolarHBondContact O-ND1 3.24Å
347	G	95.1	Very high	96.5	Very high	20 Å²	20	71.8 Å²	71.8	21%	0.206	36%	0.36	C	S	.	.	S	Bend	trans	67.3	20.1	177.8	0	0	0	0	0	115.1	C278 Y345	C278-G347 WeakPolarHBondContact CB-O 3.34Å; Y345-G347 VanDerWaalsContact CE1-N 3.35Å
348	H	95.3	Very high	96.5	Very high	95 Å²	95	75.6 Å²	75.6	44%	0.44	38%	0.377	S	S	.	.	S	Bend	trans	-157.4	158.5	173.4	61	-79	0	0	0	110.1	Q307 K346 Q350	Q307-H348 PolarHBondContact NE2-O 3.39Å; K346-H348 VanDerWaalsContact C-N 3.26Å; K346-H348 PolarHBondContact O-N 3.01Å; K346-H348 PolarHBondContact O-ND1 3.24Å; H348-Q350 PolarHBondContact NE2-NE2 2.97Å
349	K	95.1	Very high	96.4	Very high	101 Å²	101	77.9 Å²	77.9	44%	0.439	39%	0.39	S	S	.	.			trans	-72.1	132.7	175	-168.8	175	-172.8	87	0	110.9	V310 D311 A318	V310-K349 HydrophobicContact CG1-CB 4.41Å; V310-K349 WeakPolarHBondContact O-CG 3.48Å; V310-K349 PolarHBondContact O-NZ 3.24Å; D311-K349 PolarHBondContact O-NZ 2.78Å; D311-K349 WeakPolarHBondContact OD1-CA 3.4Å; A318-K349 HydrophobicContact CB-CB 3.84Å; A318-K349 HydrophobicContact CB-CD 3.84Å; A318-K349 HydrophobicContact CB-CG 4.06Å
350	Q	96.5	Very high	96.4	Very high	82 Å²	82	78.4 Å²	78.4	38%	0.383	40%	0.397	S	S	.	.			trans	-120.7	-170	173.2	-48.9	-161.1	-58.3	0	0	110	D311 H348	D311-Q350 PolarHBondContact OD1-N 2.84Å; H348-Q350 PolarHBondContact NE2-NE2 2.97Å
351	T	96.6	Very high	96.4	Very high	126 Å²	126	76.4 Å²	76.4	77%	0.773	39%	0.388	S	S	*	.			trans	-76.9	133.7	166.6	-55.8	0	0	0	0	108.6	D353	T351-D353 PolarHBondContact O-N 2.92Å
352	C	97	Very high	96.4	Very high	57 Å²	57	73.4 Å²	73.4	39%	0.385	37%	0.368	S	S	.	.			trans	-57.8	119.1	172.3	176.6	0	0	0	0	111.2	D311 C312	D311-C352 HydrophobicContact CB-CB 4.38Å; C312-C352 HydrophobicContact CB-CB 3.88Å; C312-C352 WeakPolarHBondContact CB-SG 3.4Å; C312-C352 WeakPolarHBondContact SG-CB 3.09Å; C312-C352 CovalentContact SG-SG 2.03Å; C312-C352 PolarHBondContact SG-SG 2.87Å
353	D	95.2	Very high	96.4	Very high	126 Å²	126	70.7 Å²	70.7	67%	0.674	35%	0.353	S	S	*	.			trans	-112.9	20.4	178.8	-161.4	37.8	0	0	0	112.5	Y343 T351	Y343-D353 HydrophobicContact CE2-CB 4.36Å; Y343-D353 PolarHBondContact OH-N 3.3Å; Y343-D353 VanDerWaalsContact OH-N 3.12Å; T351-D353 PolarHBondContact O-N 2.92Å
354	F	95.8	Very high	96.4	Very high	47 Å²	47	73 Å²	73	21%	0.206	37%	0.367	C	S	.	.			trans	-59.2	138.2	-178.6	169.2	-105.9	0	0	0	113	E308 L334 E338 V359	E308-F354 VanDerWaalsContact CD-CD2 3.43Å; E308-F354 HydrophobicContact CG-CB 4.38Å; E308-F354 HydrophobicContact CG-CD2 4.09Å; E308-F354 WeakPolarHBondContact OE1-CD2 3.07Å; E308-F354 VanDerWaalsContact OE1-CE2 3.25Å; E308-F354 WeakPolarHBondContact OE1-CE2 3.44Å; L334-F354 HydrophobicContact CB-CE1 4.3Å; L334-F354 HydrophobicContact CB-CZ 4.24Å; L334-F354 HydrophobicContact CD2-CD1 4.08Å; L334-F354 HydrophobicContact CD2-CE1 4.29Å; L334-F354 WeakPolarHBondContact O-CE1 3.34Å; L334-F354 WeakPolarHBondContact O-CZ 3.43Å; E338-F354 HydrophobicContact CG-CD2 4.22Å; E338-F354 HydrophobicContact CG-CE2 4.46Å; F354-V359 HydrophobicContact CE2-CG2 3.67Å; F354-V359 HydrophobicContact CZ-CG2 3.67Å
355	T	93.9	Very high	96.3	Very high	28 Å²	28	72.4 Å²	72.4	17%	0.172	36%	0.363	C	S	.	.			trans	-133.7	126.3	167.1	-177.6	0	0	0	0	112.8	E338 R357 K358	E338-T355 PolarHBondContact OE1-N 3.44Å; T355-R357 PolarHBondContact O-N 3.44Å; T355-R357 PolarHBondContact OG1-NE 3.08Å; T355-K358 HydrophobicContact CG2-CB 4.12Å; T355-K358 HydrophobicContact CG2-CD 3.7Å; T355-K358 HydrophobicContact CG2-CG 3.77Å; T355-K358 PolarHBondContact O-N 2.83Å
356	D	92.8	Very high	96.2	Very high	117 Å²	117	71.1 Å²	71.1	63%	0.626	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-37.6	-37.9	166.9	63	-21.2	0	0	0	115.3	K358 V359	D356-K358 PolarHBondContact O-N 2.98Å; D356-V359 PolarHBondContact O-N 3.29Å
357	R	94.9	Very high	96.2	Very high	217 Å²	217	67.6 Å²	67.6	82%	0.819	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-67.6	-13.3	-179.8	-71.6	176.3	-67.5	170.2	0.9	115.3	T355	T355-R357 PolarHBondContact O-N 3.44Å; T355-R357 PolarHBondContact OG1-NE 3.08Å
358	K	96.6	Very high	96.3	Very high	81 Å²	81	69.1 Å²	69.1	35%	0.352	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-112.4	1.4	179.7	-72.6	179.3	174	-175.6	0	113.8	E338 D342 T355 D356 A360	E338-K358 HydrophobicContact CG-CB 3.72Å; E338-K358 HydrophobicContact CG-CD 4.46Å; E338-K358 WeakPolarHBondContact OE2-CD 3.44Å; E338-K358 IonicContact OE2-NZ 2.83Å; E338-K358 PolarHBondContact OE2-NZ 2.68Å; E338-K358 VanDerWaalsContact OE2-NZ 3.13Å; D342-K358 HydrophobicContact CB-CD 4.16Å; D342-K358 PolarHBondContact O-NZ 3.48Å; T355-K358 HydrophobicContact CG2-CB 4.12Å; T355-K358 HydrophobicContact CG2-CD 3.7Å; T355-K358 HydrophobicContact CG2-CG 3.77Å; T355-K358 PolarHBondContact O-N 2.83Å; D356-K358 PolarHBondContact O-N 2.98Å; K358-A360 PolarHBondContact O-N 2.78Å; K358-A360 VanDerWaalsContact O-N 3.13Å
359	V	97.6	Very high	96.4	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.291	33%	0.328	S	S	.	.			trans	-54.8	120.3	178.5	169.5	0	0	0	0	110.4	F354 D356 A361	F354-V359 HydrophobicContact CE2-CG2 3.67Å; F354-V359 HydrophobicContact CZ-CG2 3.67Å; D356-V359 PolarHBondContact O-N 3.29Å; V359-A361 WeakPolarHBondContact CG1-O 3.35Å
360	A	97.8	Very high	96.4	Very high	32 Å²	32	62.4 Å²	62.4	26%	0.264	32%	0.323	S	S	.	.			trans	-106.3	-28	-176.4	0	0	0	0	0	112.9	W294 L302 L337 T339 K358	W294-A360 VanDerWaalsContact CZ2-O 3.3Å; W294-A360 WeakPolarHBondContact CZ2-O 3.48Å; L302-A360 HydrophobicContact CD1-CB 4.19Å; L302-A360 WeakPolarHBondContact CD1-O 3.26Å; L337-A360 PolarHBondContact O-N 2.03Å; T339-A360 HydrophobicContact CG2-CB 3.49Å; T339-A360 VanDerWaalsContact CG2-CB 3.49Å; K358-A360 PolarHBondContact O-N 2.78Å; K358-A360 VanDerWaalsContact O-N 3.13Å
361	A	97.7	Very high	96.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-140.1	156	173.4	0	0	0	0	0	111.1	W294 L302 L304 G336 L337 V359	W294-A361 HydrophobicContact CD2-CB 3.66Å; W294-A361 HydrophobicContact CE3-CB 3.7Å; W294-A361 HydrophobicContact CG-CB 4.14Å; W294-A361 HydrophobicContact CH2-CB 4.42Å; W294-A361 HydrophobicContact CZ2-CB 4.36Å; W294-A361 HydrophobicContact CZ3-CB 4.11Å; L302-A361 HydrophobicContact CD1-CB 4.25Å; L304-A361 HydrophobicContact CD1-CB 3.84Å; L304-A361 HydrophobicContact CD2-CB 3.69Å; L304-A361 HydrophobicContact CG-CB 4.43Å; G336-A361 CarbonylContact C-O 3.59Å; G336-A361 WeakPolarHBondContact CA-O 3.47Å; L337-A361 PolarHBondContact N-O 3.24Å; L337-A361 PolarHBondContact O-N 2.8Å; V359-A361 WeakPolarHBondContact CG1-O 3.35Å
362	Y	97.5	Very high	96.5	Very high	93 Å²	93	60.9 Å²	60.9	37%	0.365	31%	0.308	S	S	.	.			trans	-141	166.8	172.8	67.4	-98.8	0	0	0	111	W294 G335	W294-Y362 AromaticContact CH2-CD1 3.78Å; W294-Y362 HydrophobicContact CH2-CD1 3.78Å; W294-Y362 AromaticContact CH2-CE1 3.73Å; W294-Y362 HydrophobicContact CH2-CE1 3.73Å; W294-Y362 AromaticContact CZ3-CD1 3.79Å; W294-Y362 HydrophobicContact CZ3-CD1 3.79Å; W294-Y362 AromaticContact CZ3-CE1 3.89Å; W294-Y362 HydrophobicContact CZ3-CE1 3.89Å; W294-Y362 HydrophobicContact CZ3-CG 4.12Å; W294-Y362 VanDerWaalsContact CZ3-N 3.25Å; G335-Y362 WeakPolarHBondContact O-CB 3.26Å
363	I	98.1	Very high	96.5	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.056	29%	0.293	C	S	.	.			trans	-126.4	151.5	171.8	73.5	-179.1	0	0	0	110.1	I290 Y328 I331 E332 A467 V469	I290-I363 HydrophobicContact CB-CG2 4.46Å; I290-I363 HydrophobicContact CD1-CD1 4.4Å; I290-I363 HydrophobicContact CD1-CG2 3.71Å; I290-I363 HydrophobicContact CG1-CG2 3.76Å; I290-I363 HydrophobicContact CG2-CG2 3.84Å; Y328-I363 HydrophobicContact CD1-CD1 3.72Å; Y328-I363 HydrophobicContact CG-CD1 4.24Å; I331-I363 HydrophobicContact CB-CD1 4.1Å; I331-I363 HydrophobicContact CB-CG1 4.38Å; I331-I363 HydrophobicContact CG2-CD1 4.11Å; I331-I363 HydrophobicContact CG2-CG1 3.94Å; E332-I363 HydrophobicContact CG-CD1 4.23Å; E332-I363 HydrophobicContact CG-CG1 4.01Å; I363-A467 HydrophobicContact CB-CB 4.15Å; I363-A467 HydrophobicContact CD1-CB 4.36Å; I363-A467 HydrophobicContact CG2-CB 3.64Å; I363-V469 HydrophobicContact CG2-CG2 4.41Å
364	N	96.6	Very high	96.6	Very high	69 Å²	69	60.7 Å²	60.7	37%	0.369	30%	0.295	S	S	.	.	S	Bend	trans	-96.8	-25.8	178.2	-62.5	103.5	0	0	0	113.1	V468 N470	N364-V468 PolarHBondContact N-O 3.15Å; N364-N470 WeakPolarHBondContact CB-ND2 3.44Å; N364-N470 WeakPolarHBondContact OD1-CB 3.47Å; N364-N470 PolarHBondContact OD1-N 3.49Å
365	S	96.5	Very high	96.7	Very high	32 Å²	32	61.7 Å²	61.7	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	179.9	174.8	56	0	0	0	0	110.4	E332 A467 V468	E332-S365 WeakPolarHBondContact OE1-CA 3.45Å; S365-A467 CarbonylContact O-C 3.57Å; S365-V468 PolarHBondContact O-N 2.63Å
366	S	97.1	Very high	97	Very high	11 Å²	11	60.5 Å²	60.5	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.2	168.8	49.9	0	0	0	0	113.2	Y328 E332 S466	Y328-S366 VanDerWaalsContact CD2-CB 3.46Å; E332-S366 PolarHBondContact OE1-N 2.92Å; S366-S466 CarbonylContact C-O 3.59Å; S366-S466 WeakPolarHBondContact CA-O 3.48Å
367	L	97.3	Very high	97.2	Very high	26 Å²	26	55 Å²	55	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.2	-177.9	-60.8	172.6	0	0	0	111.8	K248 A250 S465 S466 V468	K248-L367 HydrophobicContact CB-CD2 3.99Å; K248-L367 CarbonylContact O-C 3.41Å; K248-L367 VanDerWaalsContact O-CA 3.24Å; K248-L367 WeakPolarHBondContact O-CA 3.22Å; A250-L367 HydrophobicContact CB-CB 4.05Å; A250-L367 HydrophobicContact CB-CD1 4.13Å; L367-S465 VanDerWaalsContact O-CA 3.22Å; L367-S465 WeakPolarHBondContact O-CA 3.49Å; L367-S466 PolarHBondContact N-O 2.94Å; L367-S466 PolarHBondContact O-N 3.22Å; L367-S466 VanDerWaalsContact O-N 3.07Å; L367-V468 HydrophobicContact CD1-CG2 3.59Å; L367-V468 HydrophobicContact CD2-CG2 4.35Å; L367-V468 HydrophobicContact CG-CG2 3.62Å
368	E	96.9	Very high	97.4	Very high	53 Å²	53	45 Å²	45	25%	0.248	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.9	164.5	-170.8	176.9	-176.4	0	0	108.9	M247 K248 A250 K371	M247-E368 HydrophobicContact CB-CB 4.13Å; M247-E368 HydrophobicContact CE-CB 4.18Å; K248-E368 PolarHBondContact O-N 2.77Å; A250-E368 WeakPolarHBondContact CB-O 3.47Å; A250-E368 PolarHBondContact N-O 3.47Å; E368-K371 WeakPolarHBondContact OE1-CE 3.48Å; E368-K371 IonicContact OE1-NZ 2.94Å; E368-K371 PolarHBondContact OE1-NZ 2.9Å
369	I	97.4	Very high	97.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-81.9	157.2	177.8	-46.1	-51.9	0	0	0	109.5	A250 I376 W379 I386 C464	A250-I369 HydrophobicContact CB-CD1 3.64Å; I369-I376 HydrophobicContact CG2-CG1 4.37Å; I369-W379 HydrophobicContact CD1-CD2 3.78Å; I369-W379 VanDerWaalsContact CD1-CE2 3.49Å; I369-W379 HydrophobicContact CD1-CE3 4.24Å; I369-W379 HydrophobicContact CD1-CG 4.29Å; I369-W379 HydrophobicContact CD1-CH2 4.28Å; I369-W379 HydrophobicContact CD1-CZ2 3.77Å; I369-W379 HydrophobicContact CD1-CZ3 4.47Å; I369-W379 HydrophobicContact CG1-CD2 4.44Å; I369-W379 HydrophobicContact CG2-CB 4.11Å; I369-W379 HydrophobicContact CG2-CD2 4.4Å; I369-W379 HydrophobicContact CG2-CG 4.02Å; I369-I386 HydrophobicContact CG1-CG2 4.05Å; I369-I386 HydrophobicContact CG2-CD1 4.45Å; I369-C464 HydrophobicContact CB-CB 3.76Å; I369-C464 HydrophobicContact CG1-CB 4.25Å; I369-C464 PolarHBondContact N-O 2.85Å
370	S	95.8	Very high	97.5	Very high	48 Å²	48	39.5 Å²	39.5	34%	0.336	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-52	152.4	172.2	-175.7	0	0	0	0	112	D372 D375 I376	S370-D372 PolarHBondContact OG-N 2.75Å; S370-D375 VanDerWaalsContact CB-CB 3.42Å; S370-D375 VanDerWaalsContact CB-OD2 3.32Å; S370-D375 WeakPolarHBondContact CB-OD2 3.46Å; S370-D375 WeakPolarHBondContact OG-CB 3.36Å; S370-D375 PolarHBondContact OG-OD2 2.93Å; S370-I376 WeakPolarHBondContact O-CD1 3.4Å; S370-I376 WeakPolarHBondContact O-CG1 3.36Å
371	K	96.1	Very high	97.6	Very high	99 Å²	99	38.6 Å²	38.6	43%	0.43	19%	0.194	S	C	.	.	S	Bend	trans	-95.4	1.2	177.9	-57.9	-175.9	175.5	160	0	112.4	E368 N461 K462	E368-K371 WeakPolarHBondContact OE1-CE 3.48Å; E368-K371 IonicContact OE1-NZ 2.94Å; E368-K371 PolarHBondContact OE1-NZ 2.9Å; K371-N461 WeakPolarHBondContact CB-O 3.3Å; K371-N461 WeakPolarHBondContact CG-O 3.47Å; K371-N461 PolarHBondContact O-ND2 2.93Å; K371-K462 WeakPolarHBondContact CE-O 3.44Å
372	D	97.5	Very high	97.6	Very high	77 Å²	77	41.5 Å²	41.5	41%	0.412	21%	0.208	S	C	.	.	S	Bend	trans	-84.3	127.5	170.3	-172.6	-75.7	0	0	0	110.3	S370 K374 D375 I376	S370-D372 PolarHBondContact OG-N 2.75Å; D372-K374 PolarHBondContact O-N 3.02Å; D372-K374 WeakPolarHBondContact OD1-CA 3.36Å; D372-K374 WeakPolarHBondContact OD1-CB 3.45Å; D372-K374 WeakPolarHBondContact OD1-CG 3.41Å; D372-K374 PolarHBondContact OD1-N 3.23Å; D372-D375 HydrophobicContact CB-CB 4.25Å; D372-D375 PolarHBondContact O-N 3.18Å; D372-D375 VanDerWaalsContact O-N 3.16Å; D372-D375 PolarHBondContact OD1-N 3.44Å; D372-I376 WeakPolarHBondContact O-CG1 3.34Å; D372-I376 PolarHBondContact O-N 3.4Å
373	E	98.1	Very high	97.6	Very high	15 Å²	15	40.1 Å²	40.1	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-20.1	-176.6	-74.5	-171	128.1	0	0	114.1	A377 W433 G454 S455 N456 N461	E373-A377 WeakPolarHBondContact O-CB 3.5Å; E373-A377 PolarHBondContact O-N 3.25Å; E373-A377 VanDerWaalsContact O-N 3.12Å; E373-W433 HydrophobicContact CB-CZ2 3.86Å; E373-W433 HydrophobicContact CG-CZ2 3.97Å; E373-W433 WeakPolarHBondContact O-CH2 3.46Å; E373-W433 PolarHBondContact OE1-NE1 3.13Å; E373-G454 WeakPolarHBondContact OE2-CA 3.38Å; E373-G454 PolarHBondContact OE2-N 3.36Å; E373-S455 PolarHBondContact OE2-N 3.19Å; E373-S455 VanDerWaalsContact OE2-N 3.09Å; E373-N456 WeakPolarHBondContact CG-OD1 3.45Å; E373-N456 PolarHBondContact OE2-N 2.85Å; E373-N456 VanDerWaalsContact OE2-N 3.14Å; E373-N461 HydrophobicContact CG-CB 4.2Å
374	K	97.5	Very high	97.6	Very high	165 Å²	165	39.6 Å²	39.6	72%	0.717	20%	0.201	S	C	*	.	H	α-helix	trans	-77.6	-42.3	173.4	-55.1	173.8	-177.6	172.6	0	110.9	D372 I376 A377 A378	D372-K374 PolarHBondContact O-N 3.02Å; D372-K374 WeakPolarHBondContact OD1-CA 3.36Å; D372-K374 WeakPolarHBondContact OD1-CB 3.45Å; D372-K374 WeakPolarHBondContact OD1-CG 3.41Å; D372-K374 PolarHBondContact OD1-N 3.23Å; K374-I376 VanDerWaalsContact C-N 3.33Å; K374-A377 PolarHBondContact O-N 3.19Å; K374-A378 WeakPolarHBondContact O-CB 3.38Å; K374-A378 PolarHBondContact O-N 2.85Å
375	D	97.9	Very high	97.7	Very high	67 Å²	67	36.3 Å²	36.3	36%	0.358	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-41.2	173.7	-70.8	-17	0	0	0	110.7	S370 D372 A378 W379	S370-D375 VanDerWaalsContact CB-CB 3.42Å; S370-D375 VanDerWaalsContact CB-OD2 3.32Å; S370-D375 WeakPolarHBondContact CB-OD2 3.46Å; S370-D375 WeakPolarHBondContact OG-CB 3.36Å; S370-D375 PolarHBondContact OG-OD2 2.93Å; D372-D375 HydrophobicContact CB-CB 4.25Å; D372-D375 PolarHBondContact O-N 3.18Å; D372-D375 VanDerWaalsContact O-N 3.16Å; D372-D375 PolarHBondContact OD1-N 3.44Å; D375-A378 PolarHBondContact O-N 2.9Å; D375-W379 VanDerWaalsContact O-CB 3.26Å; D375-W379 WeakPolarHBondContact O-CB 3.5Å; D375-W379 PolarHBondContact O-N 3.45Å
376	I	98.6	Very high	97.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-46.4	174.3	-66.7	165.5	0	0	0	110.2	I369 S370 D372 K374 A378 W379 L380 I386 L421 W433 N461 C464	I369-I376 HydrophobicContact CG2-CG1 4.37Å; S370-I376 WeakPolarHBondContact O-CD1 3.4Å; S370-I376 WeakPolarHBondContact O-CG1 3.36Å; D372-I376 WeakPolarHBondContact O-CG1 3.34Å; D372-I376 PolarHBondContact O-N 3.4Å; K374-I376 VanDerWaalsContact C-N 3.33Å; I376-A378 PolarHBondContact O-N 3.17Å; I376-W379 PolarHBondContact O-N 3.22Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 PolarHBondContact O-N 3.21Å; I376-I386 HydrophobicContact CG2-CD1 3.88Å; I376-L421 HydrophobicContact CG2-CD2 3.68Å; I376-W433 HydrophobicContact CB-CH2 4.01Å; I376-W433 HydrophobicContact CB-CZ2 4.38Å; I376-W433 HydrophobicContact CG2-CH2 3.6Å; I376-W433 HydrophobicContact CG2-CZ2 4.05Å; I376-W433 HydrophobicContact CG2-CZ3 4.16Å; I376-N461 HydrophobicContact CD1-CB 3.74Å; I376-C464 VanDerWaalsContact CD1-SG 3.59Å
377	A	98.6	Very high	97.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178.8	0	0	0	0	0	112.5	A257 E373 K374 A381 Y424 W433	A257-A377 HydrophobicContact CB-CB 3.79Å; E373-A377 WeakPolarHBondContact O-CB 3.5Å; E373-A377 PolarHBondContact O-N 3.25Å; E373-A377 VanDerWaalsContact O-N 3.12Å; K374-A377 PolarHBondContact O-N 3.19Å; A377-A381 PolarHBondContact O-N 3.22Å; A377-A381 VanDerWaalsContact O-N 3.16Å; A377-Y424 HydrophobicContact CB-CD1 4.03Å; A377-Y424 HydrophobicContact CB-CE1 3.75Å; A377-Y424 HydrophobicContact CB-CE2 4.42Å; A377-Y424 HydrophobicContact CB-CG 4.5Å; A377-Y424 WeakPolarHBondContact O-CE1 3.36Å; A377-Y424 PolarHBondContact O-OH 3.41Å; A377-W433 HydrophobicContact CB-CH2 3.82Å; A377-W433 HydrophobicContact CB-CZ3 4.1Å
378	A	98.4	Very high	97.9	Very high	9 Å²	9	33 Å²	33	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-70.8	-42.7	178.9	0	0	0	0	0	111.5	A253 A257 K374 D375 I376 E382	A253-A378 HydrophobicContact CB-CB 3.61Å; A257-A378 HydrophobicContact CB-CB 4.13Å; K374-A378 WeakPolarHBondContact O-CB 3.38Å; K374-A378 PolarHBondContact O-N 2.85Å; D375-A378 PolarHBondContact O-N 2.9Å; I376-A378 PolarHBondContact O-N 3.17Å; A378-E382 PolarHBondContact O-N 2.72Å
379	W	98.4	Very high	98	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-47.1	175	-164.1	101.7	0	0	0	110.8	I369 D375 I376 A381 E382 K383 G384 I386 S466	I369-W379 HydrophobicContact CD1-CD2 3.78Å; I369-W379 VanDerWaalsContact CD1-CE2 3.49Å; I369-W379 HydrophobicContact CD1-CE3 4.24Å; I369-W379 HydrophobicContact CD1-CG 4.29Å; I369-W379 HydrophobicContact CD1-CH2 4.28Å; I369-W379 HydrophobicContact CD1-CZ2 3.77Å; I369-W379 HydrophobicContact CD1-CZ3 4.47Å; I369-W379 HydrophobicContact CG1-CD2 4.44Å; I369-W379 HydrophobicContact CG2-CB 4.11Å; I369-W379 HydrophobicContact CG2-CD2 4.4Å; I369-W379 HydrophobicContact CG2-CG 4.02Å; D375-W379 VanDerWaalsContact O-CB 3.26Å; D375-W379 WeakPolarHBondContact O-CB 3.5Å; D375-W379 PolarHBondContact O-N 3.45Å; I376-W379 PolarHBondContact O-N 3.22Å; W379-A381 VanDerWaalsContact C-N 3.33Å; W379-A381 PolarHBondContact O-N 2.92Å; W379-E382 PolarHBondContact O-N 2.87Å; W379-K383 HydrophobicContact CD2-CB 3.62Å; W379-K383 HydrophobicContact CD2-CG 3.84Å; W379-K383 HydrophobicContact CE3-CB 3.64Å; W379-K383 HydrophobicContact CE3-CG 4.37Å; W379-K383 HydrophobicContact CG-CB 4.36Å; W379-K383 HydrophobicContact CG-CG 4.13Å; W379-K383 HydrophobicContact CH2-CB 3.45Å; W379-K383 VanDerWaalsContact CH2-CB 3.45Å; W379-K383 HydrophobicContact CH2-CG 4.39Å; W379-K383 HydrophobicContact CZ2-CB 3.46Å; W379-K383 VanDerWaalsContact CZ2-CB 3.46Å; W379-K383 HydrophobicContact CZ2-CG 3.91Å; W379-K383 HydrophobicContact CZ3-CB 3.56Å; W379-K383 WeakPolarHBondContact O-CA 3.48Å; W379-K383 VanDerWaalsContact O-CB 3.27Å; W379-K383 WeakPolarHBondContact O-CB 3.45Å; W379-K383 PolarHBondContact O-N 2.87Å; W379-G384 WeakPolarHBondContact CZ3-O 3.13Å; W379-I386 HydrophobicContact CE3-CD1 3.68Å; W379-I386 HydrophobicContact CE3-CG1 3.46Å; W379-I386 VanDerWaalsContact CE3-CG1 3.46Å; W379-I386 HydrophobicContact CZ3-CD1 4.35Å; W379-I386 HydrophobicContact CZ3-CG1 3.61Å; W379-S466 VanDerWaalsContact CH2-OG 3.3Å; W379-S466 WeakPolarHBondContact CH2-OG 3.01Å
380	L	98.7	Very high	98	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-53.4	-50.7	177.9	-174.1	80.8	0	0	0	110.8	W263 I376 G384 I386 L421 Y424	W263-L380 PolarHBondContact NE1-O 2.86Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 PolarHBondContact O-N 3.21Å; L380-G384 WeakPolarHBondContact CA-O 3.35Å; L380-G384 WeakPolarHBondContact CD1-O 3.27Å; L380-G384 PolarHBondContact O-N 2.68Å; L380-I386 HydrophobicContact CB-CD1 3.87Å; L380-I386 HydrophobicContact CD1-CB 4.28Å; L380-I386 HydrophobicContact CD1-CD1 3.93Å; L380-I386 HydrophobicContact CD1-CG1 3.8Å; L380-L421 HydrophobicContact CD1-CB 4.41Å; L380-L421 HydrophobicContact CD1-CD2 4.29Å; L380-L421 HydrophobicContact CD1-CG 4.09Å; L380-L421 VanDerWaalsContact CD1-O 3.27Å; L380-L421 WeakPolarHBondContact CD1-O 3.47Å; L380-L421 HydrophobicContact CD2-CD2 4.41Å; L380-L421 HydrophobicContact CD2-CG 4.24Å; L380-Y424 HydrophobicContact CB-CE1 4.45Å; L380-Y424 HydrophobicContact CD2-CD1 3.56Å; L380-Y424 HydrophobicContact CD2-CE1 3.88Å
381	A	98.5	Very high	98	Very high	12 Å²	12	28.1 Å²	28.1	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-33.1	-178.4	0	0	0	0	0	114.1	P258 W261 W263 A377 W379 Y424	P258-A381 HydrophobicContact CG-CB 3.94Å; W261-A381 HydrophobicContact CB-CB 3.95Å; W261-A381 HydrophobicContact CD2-CB 3.92Å; W261-A381 HydrophobicContact CE3-CB 4.42Å; W261-A381 HydrophobicContact CG-CB 3.69Å; W263-A381 WeakPolarHBondContact CZ2-O 3.3Å; A377-A381 PolarHBondContact O-N 3.22Å; A377-A381 VanDerWaalsContact O-N 3.16Å; W379-A381 VanDerWaalsContact C-N 3.33Å; W379-A381 PolarHBondContact O-N 2.92Å; A381-Y424 HydrophobicContact CB-CE1 4.39Å; A381-Y424 WeakPolarHBondContact CB-OH 3.46Å
382	E	97.7	Very high	98	Very high	61 Å²	61	23.4 Å²	23.4	29%	0.285	11%	0.114	S	C	.	.	H	α-helix	trans	-82.4	-31.8	178.2	-163.8	-169.5	146.4	0	0	113.1	A253 K254 A378 W379	A253-E382 WeakPolarHBondContact CA-OE2 3.25Å; K254-E382 WeakPolarHBondContact CD-OE1 3.41Å; K254-E382 VanDerWaalsContact CE-OE1 3.29Å; K254-E382 WeakPolarHBondContact CE-OE1 3.42Å; K254-E382 PolarHBondContact N-OE2 2.9Å; K254-E382 IonicContact NZ-OE1 3.23Å; A378-E382 PolarHBondContact O-N 2.72Å; W379-E382 PolarHBondContact O-N 2.87Å
383	K	97.8	Very high	97.9	Very high	65 Å²	65	20.6 Å²	20.6	28%	0.283	10%	0.098	S	C	.	.	H	α-helix	trans	-123.6	-8.4	-162	-55.7	-55.5	-170.1	-162.5	0	115.9	Q293 L296 W379	Q293-K383 PolarHBondContact NE2-O 2.85Å; Q293-K383 PolarHBondContact OE1-O 3.03Å; L296-K383 WeakPolarHBondContact CD1-O 3.22Å; W379-K383 HydrophobicContact CD2-CB 3.62Å; W379-K383 HydrophobicContact CD2-CG 3.84Å; W379-K383 HydrophobicContact CE3-CB 3.64Å; W379-K383 HydrophobicContact CE3-CG 4.37Å; W379-K383 HydrophobicContact CG-CB 4.36Å; W379-K383 HydrophobicContact CG-CG 4.13Å; W379-K383 HydrophobicContact CH2-CB 3.45Å; W379-K383 VanDerWaalsContact CH2-CB 3.45Å; W379-K383 HydrophobicContact CH2-CG 4.39Å; W379-K383 HydrophobicContact CZ2-CB 3.46Å; W379-K383 VanDerWaalsContact CZ2-CB 3.46Å; W379-K383 HydrophobicContact CZ2-CG 3.91Å; W379-K383 HydrophobicContact CZ3-CB 3.56Å; W379-K383 WeakPolarHBondContact O-CA 3.48Å; W379-K383 VanDerWaalsContact O-CB 3.27Å; W379-K383 WeakPolarHBondContact O-CB 3.45Å; W379-K383 PolarHBondContact O-N 2.87Å
384	G	98.1	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.			trans	114	177.9	177	0	0	0	0	0	115.2	W263 W379 L380	W263-G384 VanDerWaalsContact CE2-CA 3.46Å; W263-G384 VanDerWaalsContact NE1-C 3.32Å; W263-G384 VanDerWaalsContact NE1-CA 3.32Å; W379-G384 WeakPolarHBondContact CZ3-O 3.13Å; L380-G384 WeakPolarHBondContact CA-O 3.35Å; L380-G384 WeakPolarHBondContact CD1-O 3.27Å; L380-G384 PolarHBondContact O-N 2.68Å
385	P	98.8	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.			trans	-53.8	147.6	174.8	-26.2	35.7	0	0	0	113	W263 A268 V269 N289 L420 L421	W263-P385 HydrophobicContact CB-CG 3.91Å; W263-P385 HydrophobicContact CG-CG 3.87Å; A268-P385 HydrophobicContact CB-CG 4.39Å; A268-P385 WeakPolarHBondContact O-CG 3.18Å; V269-P385 HydrophobicContact CG2-CG 4.27Å; N289-P385 PolarHBondContact ND2-O 3.11Å; P385-L420 HydrophobicContact CB-CD1 3.77Å; P385-L420 HydrophobicContact CB-CD2 4.04Å; P385-L420 HydrophobicContact CB-CG 3.97Å; P385-L421 CarbonylContact C-O 3.6Å; P385-L421 VanDerWaalsContact CA-O 3.28Å; P385-L421 WeakPolarHBondContact CA-O 3.38Å
386	I	98.9	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.8	-177.6	-60.2	166.7	0	0	0	109.6	I369 I376 W379 L380 V388 L421 C464 S465	I369-I386 HydrophobicContact CG1-CG2 4.05Å; I369-I386 HydrophobicContact CG2-CD1 4.45Å; I376-I386 HydrophobicContact CG2-CD1 3.88Å; W379-I386 HydrophobicContact CE3-CD1 3.68Å; W379-I386 HydrophobicContact CE3-CG1 3.46Å; W379-I386 VanDerWaalsContact CE3-CG1 3.46Å; W379-I386 HydrophobicContact CZ3-CD1 4.35Å; W379-I386 HydrophobicContact CZ3-CG1 3.61Å; L380-I386 HydrophobicContact CB-CD1 3.87Å; L380-I386 HydrophobicContact CD1-CB 4.28Å; L380-I386 HydrophobicContact CD1-CD1 3.93Å; L380-I386 HydrophobicContact CD1-CG1 3.8Å; I386-V388 HydrophobicContact CB-CG1 4.18Å; I386-V388 HydrophobicContact CG2-CG1 3.64Å; I386-V388 PolarHBondContact O-N 3.35Å; I386-L421 HydrophobicContact CB-CB 4.32Å; I386-L421 HydrophobicContact CD1-CD2 4.44Å; I386-L421 PolarHBondContact N-O 2.76Å; I386-L421 WeakPolarHBondContact O-CB 3.39Å; I386-L421 PolarHBondContact O-N 2.77Å; I386-C464 HydrophobicContact CG2-CB 4Å; I386-S465 WeakPolarHBondContact CG2-O 3.32Å
387	S	98.8	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.7	167.2	169.4	0	0	0	0	109	S285 Y328 S465	S285-S387 WeakPolarHBondContact O-CB 3.49Å; S285-S387 PolarHBondContact OG-OG 3.01Å; Y328-S387 VanDerWaalsContact OH-CB 3.25Å; Y328-S387 WeakPolarHBondContact OH-CB 3.4Å; S387-S465 PolarHBondContact N-O 3.34Å; S387-S465 PolarHBondContact O-N 2.97Å; S387-S465 PolarHBondContact O-OG 2.83Å
388	V	98.5	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.2	-177.2	-59	0	0	0	0	111.2	I386 A418 V419 L421 I460 M463 C464	I386-V388 HydrophobicContact CB-CG1 4.18Å; I386-V388 HydrophobicContact CG2-CG1 3.64Å; I386-V388 PolarHBondContact O-N 3.35Å; V388-A418 WeakPolarHBondContact O-CA 3.5Å; V388-V419 HydrophobicContact CG2-CG2 3.74Å; V388-V419 WeakPolarHBondContact CG2-O 3.22Å; V388-V419 PolarHBondContact N-O 3.06Å; V388-V419 PolarHBondContact O-N 2.88Å; V388-L421 HydrophobicContact CG1-CB 3.87Å; V388-L421 HydrophobicContact CG1-CD2 4.24Å; V388-L421 HydrophobicContact CG2-CB 3.92Å; V388-I460 HydrophobicContact CB-CD1 4.15Å; V388-I460 HydrophobicContact CG2-CD1 3.54Å; V388-I460 HydrophobicContact CG2-CG1 4.44Å; V388-M463 WeakPolarHBondContact CA-O 3.18Å; V388-C464 HydrophobicContact CG1-CB 4.31Å
389	A	97.4	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.5	172.9	0	0	0	0	0	111.8	L238 I415 H417 A418 M463	L238-A389 HydrophobicContact CD1-CB 4.34Å; L238-A389 HydrophobicContact CD2-CB 4.46Å; A389-I415 HydrophobicContact CB-CG2 3.49Å; A389-I415 VanDerWaalsContact CB-CG2 3.49Å; A389-H417 CarbonylContact C-O 3.39Å; A389-H417 WeakPolarHBondContact CA-O 3.49Å; A389-H417 VanDerWaalsContact CB-O 3.27Å; A389-H417 WeakPolarHBondContact CB-O 3.47Å; A389-A418 HydrophobicContact CB-CB 4.38Å; A389-M463 HydrophobicContact CB-CB 4Å; A389-M463 HydrophobicContact CB-SD 4.09Å
390	L	97.8	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	172.1	-175	63.6	81.9	0	0	0	111.3	A392 M395 D416 H417 V419 I435 Y449 L451 C458 I460	L390-A392 HydrophobicContact CD1-CB 4.09Å; L390-M395 HydrophobicContact CD1-SD 3.62Å; L390-M395 HydrophobicContact CD2-SD 4.28Å; L390-D416 PolarHBondContact O-N 2.82Å; L390-D416 VanDerWaalsContact O-N 3.11Å; L390-H417 PolarHBondContact N-O 3.47Å; L390-H417 PolarHBondContact O-N 3.35Å; L390-V419 HydrophobicContact CD2-CG2 3.9Å; L390-V419 HydrophobicContact CG-CG2 4.4Å; L390-I435 HydrophobicContact CD2-CD1 4.01Å; L390-Y449 HydrophobicContact CD2-CE1 4.43Å; L390-L451 HydrophobicContact CD2-CD2 4.5Å; L390-C458 CarbonylContact C-O 3.55Å; L390-C458 WeakPolarHBondContact CA-O 3.41Å; L390-C458 HydrophobicContact CB-CB 3.99Å; L390-C458 HydrophobicContact CD1-CB 4.48Å; L390-I460 HydrophobicContact CB-CD1 4.15Å; L390-I460 HydrophobicContact CD2-CD1 3.65Å; L390-I460 HydrophobicContact CG-CD1 4.44Å
391	N	96.5	Very high	97.6	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.076	C	C	.	.			trans	-84.8	120.7	166.4	176.2	-100.9	0	0	0	111	C410 N411 M414 D416 C458	N391-C410 PolarHBondContact O-SG 2.64Å; N391-C410 WeakPolarHBondContact OD1-CA 3.5Å; N391-N411 WeakPolarHBondContact CB-O 3.05Å; N391-M414 WeakPolarHBondContact CB-O 3.33Å; N391-M414 PolarHBondContact ND2-O 2.9Å; N391-D416 WeakPolarHBondContact CA-OD1 3.14Å; N391-D416 PolarHBondContact ND2-OD2 3.07Å; N391-D416 VanDerWaalsContact ND2-OD2 3.14Å; N391-C458 PolarHBondContact N-O 2.96Å
392	A	96.3	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.072	C	C	.	.			trans	-97.5	13.9	-169.4	0	0	0	0	0	115.3	L234 L390 A394 M395 Q396 D416 H417 W439	L234-A392 HydrophobicContact CD1-CB 4.22Å; L234-A392 HydrophobicContact CD2-CB 3.8Å; L390-A392 HydrophobicContact CD1-CB 4.09Å; A392-A394 PolarHBondContact O-N 3.12Å; A392-M395 HydrophobicContact CB-CB 4.22Å; A392-M395 HydrophobicContact CB-CG 4.41Å; A392-M395 HydrophobicContact CB-SD 4.01Å; A392-M395 WeakPolarHBondContact O-CB 3.33Å; A392-M395 PolarHBondContact O-N 3.36Å; A392-Q396 PolarHBondContact O-N 2.79Å; A392-D416 PolarHBondContact N-OD1 2.82Å; A392-H417 HydrophobicContact CB-CB 3.46Å; A392-H417 VanDerWaalsContact CB-CB 3.46Å; A392-W439 HydrophobicContact CB-CH2 4.2Å
393	F	94.5	Very high	97.6	Very high	17 Å²	17	12.8 Å²	12.8	8%	0.075	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-52.7	179.9	178	-86.5	0	0	0	112.1	N63 T202 E226 M395 Q396 F397 F409	N63-F393 WeakPolarHBondContact ND2-CE2 3.06Å; T202-F393 HydrophobicContact CG2-CE1 4.33Å; T202-F393 HydrophobicContact CG2-CZ 4.09Å; E226-F393 HydrophobicContact CG-CE2 4.41Å; F393-M395 PolarHBondContact O-N 3.22Å; F393-Q396 WeakPolarHBondContact O-CB 3.31Å; F393-Q396 PolarHBondContact O-N 2.86Å; F393-F397 HydrophobicContact CE1-CE2 4.28Å; F393-F397 HydrophobicContact CZ-CE2 4.25Å; F393-F409 HydrophobicContact CD1-CB 4.09Å; F393-F409 HydrophobicContact CD1-CD1 4.39Å; F393-F409 WeakPolarHBondContact CD1-O 3.25Å; F393-F409 HydrophobicContact CE1-CB 4.32Å; F393-F409 AromaticContact CE1-CD1 3.81Å; F393-F409 HydrophobicContact CE1-CD1 3.81Å
394	A	94.4	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-64.7	-24.3	177.6	0	0	0	0	0	113.4	Y216 A392 Q396 F397 P405 F409	Y216-A394 HydrophobicContact CE1-CB 4.43Å; A392-A394 PolarHBondContact O-N 3.12Å; A394-Q396 VanDerWaalsContact C-N 3.29Å; A394-Q396 PolarHBondContact O-N 3.04Å; A394-F397 PolarHBondContact O-N 2.62Å; A394-P405 HydrophobicContact CB-CB 3.65Å; A394-P405 HydrophobicContact CB-CG 3.78Å; A394-F409 PolarHBondContact N-O 3.02Å
395	M	97.5	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-67.1	-27.8	176.7	-70	-177.1	67.9	0	0	112.4	L390 A392 F393 F397 Y398 N437 W439 Y443 Y449	L390-M395 HydrophobicContact CD1-SD 3.62Å; L390-M395 HydrophobicContact CD2-SD 4.28Å; A392-M395 HydrophobicContact CB-CB 4.22Å; A392-M395 HydrophobicContact CB-CG 4.41Å; A392-M395 HydrophobicContact CB-SD 4.01Å; A392-M395 WeakPolarHBondContact O-CB 3.33Å; A392-M395 PolarHBondContact O-N 3.36Å; F393-M395 PolarHBondContact O-N 3.22Å; M395-F397 PolarHBondContact O-N 2.96Å; M395-Y398 PolarHBondContact O-N 2.78Å; M395-N437 HydrophobicContact CE-CB 4.44Å; M395-N437 VanDerWaalsContact CE-ND2 3.29Å; M395-N437 WeakPolarHBondContact CE-ND2 3.4Å; M395-W439 HydrophobicContact CB-CH2 3.83Å; M395-W439 HydrophobicContact CB-CZ3 3.84Å; M395-W439 HydrophobicContact CE-CH2 4.08Å; M395-W439 HydrophobicContact CE-CZ3 4.07Å; M395-W439 HydrophobicContact SD-CH2 4.46Å; M395-Y443 WeakPolarHBondContact CB-OH 3.29Å; M395-Y443 HydrophobicContact CE-CE1 4.18Å; M395-Y443 VanDerWaalsContact O-CE2 3.26Å; M395-Y443 WeakPolarHBondContact O-CE2 3.45Å; M395-Y443 PolarHBondContact O-OH 3.41Å; M395-Y449 HydrophobicContact CE-CD1 3.94Å; M395-Y449 HydrophobicContact CE-CG 3.94Å; M395-Y449 HydrophobicContact CG-CD1 3.9Å; M395-Y449 HydrophobicContact CG-CD2 4.18Å; M395-Y449 HydrophobicContact CG-CE1 3.63Å; M395-Y449 HydrophobicContact CG-CE2 3.93Å; M395-Y449 HydrophobicContact CG-CG 4.17Å; M395-Y449 HydrophobicContact SD-CD1 3.77Å; M395-Y449 HydrophobicContact SD-CE1 3.9Å; M395-Y449 HydrophobicContact SD-CG 4.29Å
396	Q	97.1	Very high	96.7	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.5	177.9	-170.2	178.3	-9.4	0	0	112.5	T219 F221 L224 F229 A392 F393 A394	T219-Q396 WeakPolarHBondContact CB-O 3.32Å; T219-Q396 WeakPolarHBondContact CG2-O 3.47Å; T219-Q396 PolarHBondContact OG1-O 3.14Å; F221-Q396 HydrophobicContact CB-CG 3.71Å; F221-Q396 PolarHBondContact O-NE2 2.76Å; F221-Q396 VanDerWaalsContact O-NE2 3.1Å; L224-Q396 PolarHBondContact O-NE2 3.32Å; F229-Q396 HydrophobicContact CD1-CB 4.07Å; F229-Q396 HydrophobicContact CD1-CG 4.01Å; F229-Q396 HydrophobicContact CD2-CG 4.09Å; F229-Q396 HydrophobicContact CE1-CB 3.63Å; F229-Q396 HydrophobicContact CE1-CG 3.97Å; F229-Q396 HydrophobicContact CE2-CB 4.36Å; F229-Q396 HydrophobicContact CE2-CG 4.06Å; F229-Q396 HydrophobicContact CG-CG 4.06Å; F229-Q396 HydrophobicContact CZ-CB 3.79Å; F229-Q396 HydrophobicContact CZ-CG 3.99Å; A392-Q396 PolarHBondContact O-N 2.79Å; F393-Q396 WeakPolarHBondContact O-CB 3.31Å; F393-Q396 PolarHBondContact O-N 2.86Å; A394-Q396 VanDerWaalsContact C-N 3.29Å; A394-Q396 PolarHBondContact O-N 3.04Å
397	F	97.9	Very high	96.1	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-109.3	-2.3	-173.4	-50.5	-76	0	0	0	113.9	N199 T202 A203 L206 Y216 G217 F393 A394 M395	N199-F397 HydrophobicContact CB-CE1 3.86Å; T202-F397 HydrophobicContact CG2-CD2 4.09Å; T202-F397 HydrophobicContact CG2-CE1 4.13Å; T202-F397 HydrophobicContact CG2-CE2 3.5Å; T202-F397 HydrophobicContact CG2-CZ 3.53Å; A203-F397 HydrophobicContact CB-CB 4.08Å; A203-F397 HydrophobicContact CB-CD1 4.01Å; A203-F397 HydrophobicContact CB-CG 4.29Å; L206-F397 HydrophobicContact CD1-CB 3.9Å; L206-F397 HydrophobicContact CD1-CD2 3.52Å; L206-F397 HydrophobicContact CD1-CE2 4.41Å; L206-F397 HydrophobicContact CD1-CG 3.96Å; Y216-F397 CarbonylContact C-O 3.57Å; Y216-F397 VanDerWaalsContact CA-O 3.24Å; Y216-F397 WeakPolarHBondContact CA-O 3.45Å; Y216-F397 HydrophobicContact CD1-CB 4.22Å; G217-F397 PolarHBondContact N-O 3.16Å; F393-F397 HydrophobicContact CE1-CE2 4.28Å; F393-F397 HydrophobicContact CZ-CE2 4.25Å; A394-F397 PolarHBondContact O-N 2.62Å; M395-F397 PolarHBondContact O-N 2.96Å
398	Y	98.4	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.1	-173.8	174.2	-96.8	0	0	0	112.7	T219 M395 K400 G401 E445 Y449 Y450	T219-Y398 WeakPolarHBondContact CG2-O 3.34Å; M395-Y398 PolarHBondContact O-N 2.78Å; Y398-K400 WeakPolarHBondContact CE2-O 3.22Å; Y398-G401 VanDerWaalsContact CE2-O 3.26Å; Y398-G401 WeakPolarHBondContact CE2-O 3.45Å; Y398-G401 PolarHBondContact OH-N 3.29Å; Y398-G401 PolarHBondContact OH-O 2.85Å; Y398-E445 PolarHBondContact OH-OE1 3.28Å; Y398-Y449 AromaticContact CD1-CD2 3.63Å; Y398-Y449 HydrophobicContact CD1-CD2 3.63Å; Y398-Y449 HydrophobicContact CD1-CE2 4.26Å; Y398-Y449 AromaticContact CD2-CD2 3.72Å; Y398-Y449 HydrophobicContact CD2-CD2 3.72Å; Y398-Y449 AromaticContact CD2-CE2 3.57Å; Y398-Y449 HydrophobicContact CD2-CE2 3.57Å; Y398-Y449 AromaticContact CE1-CD2 3.75Å; Y398-Y449 HydrophobicContact CE1-CD2 3.75Å; Y398-Y449 AromaticContact CE2-CD2 3.83Å; Y398-Y449 HydrophobicContact CE2-CD2 3.83Å; Y398-Y449 AromaticContact CE2-CE2 3.94Å; Y398-Y449 HydrophobicContact CE2-CE2 3.94Å; Y398-Y449 AromaticContact CG-CD2 3.58Å; Y398-Y449 HydrophobicContact CG-CD2 3.58Å; Y398-Y449 AromaticContact CG-CE2 3.72Å; Y398-Y449 HydrophobicContact CG-CE2 3.72Å; Y398-Y449 AromaticContact CZ-CD2 3.82Å; Y398-Y450 PolarHBondContact OH-N 3.32Å
399	R	98.1	Very high	94.6	Very high	61 Å²	61	29 Å²	29	23%	0.23	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-55.1	174.4	-57.9	-62.6	-62.9	158	0.4	112.2	Y179 E215 V218 G444	Y179-R399 PolarHBondContact OH-NH1 3.26Å; E215-R399 HydrophobicContact CB-CB 4.15Å; E215-R399 HydrophobicContact CG-CB 4.04Å; E215-R399 HydrophobicContact CG-CG 4.37Å; E215-R399 WeakPolarHBondContact O-CB 3.48Å; E215-R399 PolarHBondContact O-N 3.01Å; V218-R399 PolarHBondContact O-NH1 3.13Å; R399-G444 CarbonylContact O-C 3.48Å; R399-G444 VanDerWaalsContact O-CA 3.3Å; R399-G444 WeakPolarHBondContact O-CA 3.22Å
400	K	98.1	Very high	94.2	Very high	99 Å²	99	29 Å²	29	43%	0.43	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	173.5	-178.5	58.8	171.3	-175	-85.4	0	112.3	A214 E215 Y398 E445	A214-K400 CarbonylContact C-O 3.37Å; A214-K400 WeakPolarHBondContact CA-O 3.29Å; E215-K400 HydrophobicContact CB-CG 3.81Å; E215-K400 PolarHBondContact N-O 3.41Å; E215-K400 PolarHBondContact O-N 3.29Å; E215-K400 IonicContact OE1-NZ 3.61Å; E215-K400 PolarHBondContact OE1-NZ 2.77Å; E215-K400 VanDerWaalsContact OE2-CE 3.31Å; E215-K400 WeakPolarHBondContact OE2-CE 3.34Å; E215-K400 IonicContact OE2-NZ 2.72Å; E215-K400 PolarHBondContact OE2-NZ 3.17Å; Y398-K400 WeakPolarHBondContact CE2-O 3.22Å; K400-E445 HydrophobicContact CB-CG 3.63Å
401	G	98.2	Very high	93.8	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.9	-178.3	177.1	0	0	0	0	0	113.3	S213 Y398 S403 E445 Y450	S213-G401 CarbonylContact O-C 3.59Å; S213-G401 VanDerWaalsContact O-CA 3.27Å; S213-G401 WeakPolarHBondContact O-CA 3.5Å; Y398-G401 VanDerWaalsContact CE2-O 3.26Å; Y398-G401 WeakPolarHBondContact CE2-O 3.45Å; Y398-G401 PolarHBondContact OH-N 3.29Å; Y398-G401 PolarHBondContact OH-O 2.85Å; G401-S403 PolarHBondContact O-N 3.11Å; G401-E445 PolarHBondContact N-OE1 2.91Å; G401-Y450 WeakPolarHBondContact O-CB 3.43Å
402	V	98.4	Very high	93.5	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.2	-179.2	-173.2	0	0	0	0	109.8	S213 H404 R427 I430 F432	S213-V402 CarbonylContact C-O 3.41Å; S213-V402 VanDerWaalsContact CB-O 3.28Å; S213-V402 WeakPolarHBondContact CB-O 3.49Å; S213-V402 PolarHBondContact O-N 3.43Å; S213-V402 PolarHBondContact OG-O 2.79Å; V402-H404 PolarHBondContact O-N 3.02Å; V402-R427 HydrophobicContact CG2-CB 4.13Å; V402-I430 HydrophobicContact CB-CG2 4.02Å; V402-I430 HydrophobicContact CG1-CG2 3.79Å; V402-I430 HydrophobicContact CG2-CG2 4.45Å; V402-F432 HydrophobicContact CB-CB 4.48Å; V402-F432 HydrophobicContact CG1-CB 3.77Å; V402-F432 HydrophobicContact CG2-CB 3.86Å; V402-F432 HydrophobicContact CG2-CD1 4.33Å; V402-F432 HydrophobicContact CG2-CG 4.41Å
403	S	97.5	Very high	93	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.6	-178.8	-175.2	0	0	0	0	111.3	Y216 G401 P405 Y449 Y450 Y452	Y216-S403 PolarHBondContact OH-OG 2.79Å; G401-S403 PolarHBondContact O-N 3.11Å; S403-P405 VanDerWaalsContact C-CD 3.45Å; S403-P405 WeakPolarHBondContact OG-CD 3.42Å; S403-Y449 VanDerWaalsContact CB-CE2 3.4Å; S403-Y449 WeakPolarHBondContact CB-OH 3.42Å; S403-Y449 WeakPolarHBondContact OG-CE2 3.33Å; S403-Y449 PolarHBondContact OG-OH 2.86Å; S403-Y450 VanDerWaalsContact CB-O 3.24Å; S403-Y450 WeakPolarHBondContact CB-O 3.45Å; S403-Y450 PolarHBondContact N-O 3.46Å; S403-Y452 PolarHBondContact O-N 3.01Å
404	H	95.6	Very high	92.7	Very high	51 Å²	51	43.2 Å²	43.2	24%	0.236	20%	0.2	C	C	.	.			trans	-127.9	62.5	173.1	-163.7	-165.8	0	0	0	112.5	V402 Y452 S455	V402-H404 PolarHBondContact O-N 3.02Å; H404-Y452 HydrophobicContact CB-CD2 4.28Å; H404-Y452 HydrophobicContact CB-CG 4.17Å; H404-Y452 AromaticContact CD2-CD1 3.88Å; H404-Y452 AromaticContact CD2-CG 3.69Å; H404-Y452 AromaticContact CE1-CD1 3.8Å; H404-Y452 AromaticContact CE1-CE1 3.96Å; H404-Y452 AromaticContact CE1-CG 3.87Å; H404-Y452 AromaticContact CG-CD2 3.91Å; H404-Y452 AromaticContact CG-CG 3.64Å; H404-Y452 AromaticContact ND1-CD2 3.7Å; H404-Y452 AromaticContact ND1-CG 3.76Å; H404-Y452 AromaticContact NE2-CD1 3.61Å; H404-Y452 AromaticContact NE2-CG 3.85Å; H404-S455 PolarHBondContact NE2-OG 2.91Å
405	P	92.6	Very high	92.7	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.078	20%	0.202	C	C	.	.			trans	-66	138.9	-177.1	28.9	-36.4	0	0	0	110.9	A394 S403 F409 C410	A394-P405 HydrophobicContact CB-CB 3.65Å; A394-P405 HydrophobicContact CB-CG 3.78Å; S403-P405 VanDerWaalsContact C-CD 3.45Å; S403-P405 WeakPolarHBondContact OG-CD 3.42Å; P405-F409 HydrophobicContact CB-CB 4.46Å; P405-C410 HydrophobicContact CB-CB 4.02Å; P405-C410 HydrophobicContact CG-CB 3.6Å
406	M	87.9	Confident	92.5	Very high	91 Å²	91	44.3 Å²	44.3	45%	0.448	21%	0.205	S	C	.	.			trans	-58.7	148.9	172.4	-65.2	-164	-59	0	0	110.9	L209 I408 F409 C410	L209-M406 HydrophobicContact CD1-CE 3.85Å; L209-M406 HydrophobicContact CD2-CE 4.49Å; M406-I408 HydrophobicContact CB-CG1 4.16Å; M406-I408 HydrophobicContact CE-CD1 3.75Å; M406-I408 HydrophobicContact CE-CG1 4.12Å; M406-I408 PolarHBondContact O-N 2.9Å; M406-F409 HydrophobicContact CB-CD2 4.38Å; M406-F409 HydrophobicContact CE-CD2 4.43Å; M406-F409 HydrophobicContact CE-CE2 3.95Å; M406-F409 PolarHBondContact O-N 3.33Å; M406-C410 PolarHBondContact O-N 3.07Å
407	K	86.1	Confident	92.6	Very high	154 Å²	154	44.2 Å²	44.2	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-22.4	-178.7	-65.5	-179.5	-179.8	176.4	0	114.9	F409 C410 N411	K407-F409 VanDerWaalsContact C-N 3.33Å; K407-C410 CarbonylContact O-C 3.58Å; K407-C410 PolarHBondContact O-N 2.95Å; K407-N411 WeakPolarHBondContact O-CA 3.36Å; K407-N411 PolarHBondContact O-N 3.3Å
408	I	81.6	Confident	92.6	Very high	86 Å²	86	44.1 Å²	44.1	44%	0.441	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.6	177.2	70.3	172.5	0	0	0	113.9	A64 M406	A64-I408 HydrophobicContact CB-CB 3.81Å; A64-I408 HydrophobicContact CB-CD1 3.98Å; A64-I408 HydrophobicContact CB-CG1 4.13Å; M406-I408 HydrophobicContact CB-CG1 4.16Å; M406-I408 HydrophobicContact CE-CD1 3.75Å; M406-I408 HydrophobicContact CE-CG1 4.12Å; M406-I408 PolarHBondContact O-N 2.9Å
409	F	85.7	Confident	92.6	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.057	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.8	173.8	-57	-66	0	0	0	112.6	M65 K205 L206 L209 F393 A394 P405 M406 K407	M65-F409 HydrophobicContact CG-CE1 4Å; M65-F409 HydrophobicContact SD-CE1 4.34Å; K205-F409 HydrophobicContact CG-CZ 4.38Å; L206-F409 HydrophobicContact CD2-CB 3.83Å; L206-F409 HydrophobicContact CD2-CD1 4.17Å; L206-F409 HydrophobicContact CD2-CD2 3.82Å; L206-F409 HydrophobicContact CD2-CE2 4.41Å; L206-F409 HydrophobicContact CD2-CG 3.69Å; L209-F409 HydrophobicContact CD1-CE2 3.65Å; L209-F409 HydrophobicContact CD1-CZ 4.13Å; F393-F409 HydrophobicContact CD1-CB 4.09Å; F393-F409 HydrophobicContact CD1-CD1 4.39Å; F393-F409 WeakPolarHBondContact CD1-O 3.25Å; F393-F409 HydrophobicContact CE1-CB 4.32Å; F393-F409 AromaticContact CE1-CD1 3.81Å; F393-F409 HydrophobicContact CE1-CD1 3.81Å; A394-F409 PolarHBondContact N-O 3.02Å; P405-F409 HydrophobicContact CB-CB 4.46Å; M406-F409 HydrophobicContact CB-CD2 4.38Å; M406-F409 HydrophobicContact CE-CD2 4.43Å; M406-F409 HydrophobicContact CE-CE2 3.95Å; M406-F409 PolarHBondContact O-N 3.33Å; K407-F409 VanDerWaalsContact C-N 3.33Å
410	C	88.4	Confident	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-154.8	67.8	-179.5	-129.3	0	0	0	0	109.8	N391 P405 M406 K407 P412 C458	N391-C410 PolarHBondContact O-SG 2.64Å; N391-C410 WeakPolarHBondContact OD1-CA 3.5Å; P405-C410 HydrophobicContact CB-CB 4.02Å; P405-C410 HydrophobicContact CG-CB 3.6Å; M406-C410 PolarHBondContact O-N 3.07Å; K407-C410 CarbonylContact O-C 3.58Å; K407-C410 PolarHBondContact O-N 2.95Å; C410-P412 WeakPolarHBondContact O-CD 3.49Å; C410-C458 HydrophobicContact CB-CB 3.96Å; C410-C458 WeakPolarHBondContact CB-SG 3.41Å; C410-C458 WeakPolarHBondContact SG-CB 3.42Å; C410-C458 CovalentContact SG-SG 2.03Å; C410-C458 PolarHBondContact SG-SG 3.31Å
411	N	89.2	Confident	92.7	Very high	50 Å²	50	37 Å²	37	27%	0.267	18%	0.175	S	C	.	.			trans	-73.2	117.7	-170.1	-176	-13.4	0	0	0	110.5	N391 K407 W413 M414	N391-N411 WeakPolarHBondContact CB-O 3.05Å; K407-N411 WeakPolarHBondContact O-CA 3.36Å; K407-N411 PolarHBondContact O-N 3.3Å; N411-W413 PolarHBondContact O-N 3.14Å; N411-W413 PolarHBondContact OD1-N 3.43Å; N411-W413 VanDerWaalsContact OD1-N 3.16Å; N411-M414 HydrophobicContact CB-CB 4.17Å; N411-M414 HydrophobicContact CB-CE 3.8Å; N411-M414 HydrophobicContact CB-CG 3.97Å; N411-M414 HydrophobicContact CB-SD 4.46Å; N411-M414 PolarHBondContact O-N 3.29Å
412	P	89.2	Confident	92.7	Very high	21 Å²	21	36.2 Å²	36.2	14%	0.136	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	3.7	-175.7	30.6	-38.6	0	0	0	115	C410	C410-P412 WeakPolarHBondContact O-CD 3.49Å
413	W	86.5	Confident	92.8	Very high	190 Å²	190	36 Å²	36	72%	0.72	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-10	173	-57.3	103.9	0	0	0	113.6	N411	N411-W413 PolarHBondContact O-N 3.14Å; N411-W413 PolarHBondContact OD1-N 3.43Å; N411-W413 VanDerWaalsContact OD1-N 3.16Å
414	M	89.1	Confident	92.8	Very high	58 Å²	58	36.2 Å²	36.2	29%	0.286	17%	0.167	S	C	.	.			trans	-104.4	47.9	178.4	-56.5	-164	-47	0	0	110.6	N391 N411 D416	N391-M414 WeakPolarHBondContact CB-O 3.33Å; N391-M414 PolarHBondContact ND2-O 2.9Å; N411-M414 HydrophobicContact CB-CB 4.17Å; N411-M414 HydrophobicContact CB-CE 3.8Å; N411-M414 HydrophobicContact CB-CG 3.97Å; N411-M414 HydrophobicContact CB-SD 4.46Å; N411-M414 PolarHBondContact O-N 3.29Å; M414-D416 PolarHBondContact O-N 3.16Å
415	I	92.7	Very high	93	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	16%	0.157	C	C	.	.			trans	-61.9	128.7	178.9	-64.9	177.3	0	0	0	109.3	L238 S239 A389 K462 M463	L238-I415 HydrophobicContact CB-CG2 3.93Å; L238-I415 HydrophobicContact CD1-CG2 4.34Å; S239-I415 VanDerWaalsContact CB-O 3.23Å; S239-I415 WeakPolarHBondContact CB-O 3.34Å; S239-I415 PolarHBondContact N-O 2.72Å; S239-I415 VanDerWaalsContact N-O 3.12Å; S239-I415 PolarHBondContact OG-O 2.83Å; A389-I415 HydrophobicContact CB-CG2 3.49Å; A389-I415 VanDerWaalsContact CB-CG2 3.49Å; I415-K462 HydrophobicContact CD1-CB 3.49Å; I415-K462 VanDerWaalsContact CD1-CB 3.49Å; I415-K462 HydrophobicContact CD1-CG 3.87Å; I415-M463 HydrophobicContact CD1-CG 4.32Å; I415-M463 HydrophobicContact CD1-SD 4.35Å; I415-M463 HydrophobicContact CG2-SD 3.98Å
416	D	95.2	Very high	93.2	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.07	18%	0.183	C	C	.	.			trans	-144.8	-1	-173.4	55.9	15.4	0	0	0	113.6	L234 N235 L390 N391 A392 M414	L234-D416 HydrophobicContact CB-CB 4.46Å; L234-D416 WeakPolarHBondContact CB-O 3.14Å; L234-D416 HydrophobicContact CD1-CB 4.48Å; N235-D416 CarbonylContact C-O 3.57Å; N235-D416 WeakPolarHBondContact CA-O 3.36Å; N235-D416 PolarHBondContact N-O 3.45Å; N235-D416 WeakPolarHBondContact O-CA 3.39Å; L390-D416 PolarHBondContact O-N 2.82Å; L390-D416 VanDerWaalsContact O-N 3.11Å; N391-D416 WeakPolarHBondContact CA-OD1 3.14Å; N391-D416 PolarHBondContact ND2-OD2 3.07Å; N391-D416 VanDerWaalsContact ND2-OD2 3.14Å; A392-D416 PolarHBondContact N-OD1 2.82Å; M414-D416 PolarHBondContact O-N 3.16Å
417	H	98.1	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.7	176.8	-163.5	37.1	0	0	0	112.3	L234 C281 A389 L390 A392 V419 N437 W439	L234-H417 HydrophobicContact CD2-CB 4.13Å; C281-H417 WeakPolarHBondContact CB-CE1 3.44Å; C281-H417 VanDerWaalsContact CB-ND1 3.32Å; C281-H417 WeakPolarHBondContact CB-ND1 3.49Å; C281-H417 PolarHBondContact SG-ND1 3.07Å; A389-H417 CarbonylContact C-O 3.39Å; A389-H417 WeakPolarHBondContact CA-O 3.49Å; A389-H417 VanDerWaalsContact CB-O 3.27Å; A389-H417 WeakPolarHBondContact CB-O 3.47Å; L390-H417 PolarHBondContact N-O 3.47Å; L390-H417 PolarHBondContact O-N 3.35Å; A392-H417 HydrophobicContact CB-CB 3.46Å; A392-H417 VanDerWaalsContact CB-CB 3.46Å; H417-V419 WeakPolarHBondContact CD2-CG1 3.5Å; H417-V419 WeakPolarHBondContact NE2-CG1 3.11Å; H417-N437 PolarHBondContact NE2-OD1 3.45Å; H417-W439 AromaticContact CD2-CZ2 3.6Å; H417-W439 AromaticContact CE1-CE2 3.75Å; H417-W439 AromaticContact CE1-CZ2 3.64Å; H417-W439 AromaticContact CE1-NE1 3.52Å; H417-W439 AromaticContact NE2-CE2 3.54Å; H417-W439 AromaticContact NE2-CZ2 3.28Å; H417-W439 VanDerWaalsContact NE2-CZ2 3.28Å; H417-W439 WeakPolarHBondContact NE2-CZ2 3.16Å; H417-W439 AromaticContact NE2-NE1 3.72Å
418	A	98.4	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.3	176.7	0	0	0	0	0	109.6	L238 C281 P324 V388 A389	L238-A418 HydrophobicContact CD1-CB 4.24Å; C281-A418 WeakPolarHBondContact CB-O 3.31Å; C281-A418 PolarHBondContact SG-N 3.02Å; P324-A418 HydrophobicContact CG-CB 4.25Å; V388-A418 WeakPolarHBondContact O-CA 3.5Å; A389-A418 HydrophobicContact CB-CB 4.38Å
419	V	98.8	Very high	94.6	Very high	3 Å²	3	38 Å²	38	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	163.2	-168	-68.1	0	0	0	0	110.1	S285 V388 L390 H417 I435	S285-V419 PolarHBondContact OG-N 3.08Å; S285-V419 PolarHBondContact OG-O 2.88Å; V388-V419 HydrophobicContact CG2-CG2 3.74Å; V388-V419 WeakPolarHBondContact CG2-O 3.22Å; V388-V419 PolarHBondContact N-O 3.06Å; V388-V419 PolarHBondContact O-N 2.88Å; L390-V419 HydrophobicContact CD2-CG2 3.9Å; L390-V419 HydrophobicContact CG-CG2 4.4Å; H417-V419 WeakPolarHBondContact CD2-CG1 3.5Å; H417-V419 WeakPolarHBondContact NE2-CG1 3.11Å; V419-I435 HydrophobicContact CB-CG2 3.56Å; V419-I435 HydrophobicContact CG1-CG2 4.23Å; V419-I435 HydrophobicContact CG2-CG2 3.37Å
420	L	98.9	Very high	95.1	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.2	-179.8	-175.1	74	0	0	0	110.9	G288 N289 P385 V422 I435 K436	G288-L420 WeakPolarHBondContact O-CD2 3.29Å; N289-L420 HydrophobicContact CB-CD1 3.87Å; P385-L420 HydrophobicContact CB-CD1 3.77Å; P385-L420 HydrophobicContact CB-CD2 4.04Å; P385-L420 HydrophobicContact CB-CG 3.97Å; L420-V422 HydrophobicContact CB-CG1 4.48Å; L420-V422 HydrophobicContact CD2-CG1 3.65Å; L420-V422 HydrophobicContact CG-CG1 3.83Å; L420-V422 PolarHBondContact O-N 3.29Å; L420-I435 CarbonylContact O-C 3.47Å; L420-I435 WeakPolarHBondContact O-CA 3.48Å; L420-K436 HydrophobicContact CB-CB 4.21Å; L420-K436 HydrophobicContact CD2-CD 4.2Å; L420-K436 PolarHBondContact N-O 3.12Å; L420-K436 PolarHBondContact O-N 2.75Å
421	L	98.9	Very high	95.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.5	169.4	-172.5	67.3	0	0	0	108.8	I376 L380 P385 I386 V388 W433 I435	I376-L421 HydrophobicContact CG2-CD2 3.68Å; L380-L421 HydrophobicContact CD1-CB 4.41Å; L380-L421 HydrophobicContact CD1-CD2 4.29Å; L380-L421 HydrophobicContact CD1-CG 4.09Å; L380-L421 VanDerWaalsContact CD1-O 3.27Å; L380-L421 WeakPolarHBondContact CD1-O 3.47Å; L380-L421 HydrophobicContact CD2-CD2 4.41Å; L380-L421 HydrophobicContact CD2-CG 4.24Å; P385-L421 CarbonylContact C-O 3.6Å; P385-L421 VanDerWaalsContact CA-O 3.28Å; P385-L421 WeakPolarHBondContact CA-O 3.38Å; I386-L421 HydrophobicContact CB-CB 4.32Å; I386-L421 HydrophobicContact CD1-CD2 4.44Å; I386-L421 PolarHBondContact N-O 2.76Å; I386-L421 WeakPolarHBondContact O-CB 3.39Å; I386-L421 PolarHBondContact O-N 2.77Å; V388-L421 HydrophobicContact CG1-CB 3.87Å; V388-L421 HydrophobicContact CG1-CD2 4.24Å; V388-L421 HydrophobicContact CG2-CB 3.92Å; L421-W433 HydrophobicContact CD1-CB 3.7Å; L421-W433 HydrophobicContact CD1-CD2 3.94Å; L421-W433 HydrophobicContact CD1-CE3 3.7Å; L421-W433 HydrophobicContact CD1-CG 3.99Å; L421-W433 HydrophobicContact CD2-CD2 4.31Å; L421-W433 HydrophobicContact CD2-CE3 3.81Å; L421-W433 HydrophobicContact CD2-CH2 4.49Å; L421-W433 HydrophobicContact CD2-CZ3 3.93Å; L421-W433 HydrophobicContact CG-CE3 4.2Å; L421-I435 HydrophobicContact CD1-CG1 3.85Å
422	V	98.9	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-20	-173.6	-63.4	0	0	0	0	113.9	W263 R264 V269 L420 A434 K436 Y448	W263-V422 WeakPolarHBondContact CB-O 3.26Å; W263-V422 VanDerWaalsContact CD1-O 3.28Å; W263-V422 PolarHBondContact N-O 2.75Å; R264-V422 HydrophobicContact CG-CG2 4.47Å; V269-V422 HydrophobicContact CG1-CG1 3.93Å; V269-V422 HydrophobicContact CG2-CB 3.89Å; V269-V422 HydrophobicContact CG2-CG1 3.68Å; L420-V422 HydrophobicContact CB-CG1 4.48Å; L420-V422 HydrophobicContact CD2-CG1 3.65Å; L420-V422 HydrophobicContact CG-CG1 3.83Å; L420-V422 PolarHBondContact O-N 3.29Å; V422-A434 HydrophobicContact CG2-CB 4.1Å; V422-A434 WeakPolarHBondContact CG2-O 3.43Å; V422-A434 PolarHBondContact N-O 2.62Å; V422-K436 HydrophobicContact CG1-CB 3.92Å; V422-Y448 HydrophobicContact CG2-CD1 4.28Å; V422-Y448 HydrophobicContact CG2-CE1 4.01Å
423	G	98.8	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-177.2	-179.5	0	0	0	0	0	114.4	W261 A434	W261-G423 CarbonylContact O-C 3.1Å; W261-G423 WeakPolarHBondContact O-CA 3.45Å; G423-A434 PolarHBondContact N-O 2.83Å; G423-A434 PolarHBondContact O-N 2.83Å
424	Y	98.8	Very high	97.1	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	162.9	168.4	57.3	-92.1	0	0	0	110.4	A257 P258 S260 W261 A377 L380 A381 F432 W433	A257-Y424 WeakPolarHBondContact CB-OH 2.96Å; P258-Y424 VanDerWaalsContact CD-OH 3.24Å; P258-Y424 WeakPolarHBondContact CD-OH 3.48Å; P258-Y424 WeakPolarHBondContact CG-OH 3.43Å; P258-Y424 WeakPolarHBondContact O-CE2 3.49Å; S260-Y424 CarbonylContact C-O 3.58Å; S260-Y424 VanDerWaalsContact CA-O 3.3Å; S260-Y424 WeakPolarHBondContact CA-O 3.47Å; S260-Y424 WeakPolarHBondContact CB-O 3.23Å; W261-Y424 HydrophobicContact CB-CE1 3.93Å; W261-Y424 HydrophobicContact CB-CE2 4.36Å; W261-Y424 PolarHBondContact N-O 2.83Å; W261-Y424 PolarHBondContact O-N 3.48Å; W261-Y424 VanDerWaalsContact O-O 3.12Å; A377-Y424 HydrophobicContact CB-CD1 4.03Å; A377-Y424 HydrophobicContact CB-CE1 3.75Å; A377-Y424 HydrophobicContact CB-CE2 4.42Å; A377-Y424 HydrophobicContact CB-CG 4.5Å; A377-Y424 WeakPolarHBondContact O-CE1 3.36Å; A377-Y424 PolarHBondContact O-OH 3.41Å; L380-Y424 HydrophobicContact CB-CE1 4.45Å; L380-Y424 HydrophobicContact CD2-CD1 3.56Å; L380-Y424 HydrophobicContact CD2-CE1 3.88Å; A381-Y424 HydrophobicContact CB-CE1 4.39Å; A381-Y424 WeakPolarHBondContact CB-OH 3.46Å; Y424-F432 WeakPolarHBondContact CA-O 3.48Å; Y424-F432 WeakPolarHBondContact CB-O 3.43Å; Y424-W433 HydrophobicContact CD1-CE3 4.31Å; Y424-W433 AromaticContact CD1-CZ3 3.78Å; Y424-W433 HydrophobicContact CD1-CZ3 3.78Å; Y424-W433 HydrophobicContact CG-CE3 4.41Å; Y424-W433 HydrophobicContact CG-CZ3 4.14Å
425	G	98.4	Very high	97.5	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-143.6	171.4	0	0	0	0	0	110.7	P431 F432 R453	G425-P431 WeakPolarHBondContact O-CA 3.24Å; G425-F432 VanDerWaalsContact C-CE1 3.41Å; G425-F432 PolarHBondContact N-O 3.21Å; G425-F432 PolarHBondContact O-N 2.82Å; G425-R453 PolarHBondContact O-NH2 2.81Å
426	E	97.8	Very high	97.8	Very high	131 Å²	131	27.1 Å²	27.1	61%	0.612	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.6	175.9	-167.5	-176.6	104.9	0	0	109.5	G429 I430	E426-G429 VanDerWaalsContact OE1-CA 3.25Å; E426-G429 WeakPolarHBondContact OE1-CA 3.49Å; E426-G429 PolarHBondContact OE1-N 3.26Å; E426-I430 CarbonylContact C-O 3.53Å; E426-I430 WeakPolarHBondContact CA-O 3.48Å
427	R	96	Very high	98	Very high	79 Å²	79	26.7 Å²	26.7	30%	0.298	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.8	170.6	-79.5	167.5	176.3	-163.5	-5.1	107.2	V402 G429 I430 F432 E445 Y450	V402-R427 HydrophobicContact CG2-CB 4.13Å; R427-G429 PolarHBondContact O-N 2.69Å; R427-I430 PolarHBondContact N-O 3.21Å; R427-I430 VanDerWaalsContact O-CB 3.31Å; R427-I430 WeakPolarHBondContact O-CB 3.24Å; R427-I430 PolarHBondContact O-N 2.94Å; R427-F432 HydrophobicContact CB-CD1 4.32Å; R427-F432 HydrophobicContact CB-CE1 4.44Å; R427-F432 HydrophobicContact CG-CD1 3.95Å; R427-F432 HydrophobicContact CG-CE1 3.7Å; R427-E445 IonicContact CZ-OE1 2.72Å; R427-E445 IonicContact CZ-OE2 2.6Å; R427-E445 VanDerWaalsContact CZ-OE2 3.32Å; R427-E445 VanDerWaalsContact NH1-CD 3.29Å; R427-E445 IonicContact NH1-OE1 3.32Å; R427-E445 PolarHBondContact NH1-OE1 2.82Å; R427-E445 IonicContact NH1-OE2 2.69Å; R427-E445 PolarHBondContact NH1-OE2 2.95Å; R427-E445 IonicContact NH2-OE2 2.83Å; R427-E445 PolarHBondContact NH2-OE2 2.84Å; R427-Y450 VanDerWaalsContact NH2-CZ 3.29Å; R427-Y450 PolarHBondContact NH2-OH 2.79Å
428	N	93.4	Very high	98	Very high	169 Å²	169	26.9 Å²	26.9	90%	0.904	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.8	178.4	-56.6	-29.2	0	0	0	114.7	I430	N428-I430 VanDerWaalsContact C-N 3.28Å; N428-I430 PolarHBondContact O-N 2.91Å
429	G	94.7	Very high	98	Very high	52 Å²	52	27 Å²	27	54%	0.536	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.6	-176.1	0	0	0	0	0	115	E426 R427	E426-G429 VanDerWaalsContact OE1-CA 3.25Å; E426-G429 WeakPolarHBondContact OE1-CA 3.49Å; E426-G429 PolarHBondContact OE1-N 3.26Å; R427-G429 PolarHBondContact O-N 2.69Å
430	I	97.3	Very high	98	Very high	47 Å²	47	27.1 Å²	27.1	24%	0.241	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.5	-177	-47.9	-173.9	0	0	0	110	V402 E426 R427 N428 Y452	V402-I430 HydrophobicContact CB-CG2 4.02Å; V402-I430 HydrophobicContact CG1-CG2 3.79Å; V402-I430 HydrophobicContact CG2-CG2 4.45Å; E426-I430 CarbonylContact C-O 3.53Å; E426-I430 WeakPolarHBondContact CA-O 3.48Å; R427-I430 PolarHBondContact N-O 3.21Å; R427-I430 VanDerWaalsContact O-CB 3.31Å; R427-I430 WeakPolarHBondContact O-CB 3.24Å; R427-I430 PolarHBondContact O-N 2.94Å; N428-I430 VanDerWaalsContact C-N 3.28Å; N428-I430 PolarHBondContact O-N 2.91Å; I430-Y452 HydrophobicContact CG2-CD2 3.75Å; I430-Y452 HydrophobicContact CG2-CE2 3.98Å
431	P	98.1	Very high	97.9	Very high	28 Å²	28	32.9 Å²	32.9	18%	0.182	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.7	179.4	29.1	-35.5	0	0	0	111.5	G425 Y452 R453	G425-P431 WeakPolarHBondContact O-CA 3.24Å; P431-Y452 HydrophobicContact CG-CE2 4.17Å; P431-R453 HydrophobicContact CB-CB 4.37Å; P431-R453 VanDerWaalsContact CG-O 3.26Å; P431-R453 WeakPolarHBondContact CG-O 3.45Å; P431-R453 PolarHBondContact O-N 3.23Å
432	F	98.6	Very high	97.8	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.4	-178.1	69.3	-97.7	0	0	0	113.3	V402 Y424 G425 R427 A434 Y450 L451 R453	V402-F432 HydrophobicContact CB-CB 4.48Å; V402-F432 HydrophobicContact CG1-CB 3.77Å; V402-F432 HydrophobicContact CG2-CB 3.86Å; V402-F432 HydrophobicContact CG2-CD1 4.33Å; V402-F432 HydrophobicContact CG2-CG 4.41Å; Y424-F432 WeakPolarHBondContact CA-O 3.48Å; Y424-F432 WeakPolarHBondContact CB-O 3.43Å; G425-F432 VanDerWaalsContact C-CE1 3.41Å; G425-F432 PolarHBondContact N-O 3.21Å; G425-F432 PolarHBondContact O-N 2.82Å; R427-F432 HydrophobicContact CB-CD1 4.32Å; R427-F432 HydrophobicContact CB-CE1 4.44Å; R427-F432 HydrophobicContact CG-CD1 3.95Å; R427-F432 HydrophobicContact CG-CE1 3.7Å; F432-A434 HydrophobicContact CD2-CB 4.38Å; F432-A434 HydrophobicContact CE2-CB 4.1Å; F432-Y450 AromaticContact CD2-CD1 3.54Å; F432-Y450 HydrophobicContact CD2-CD1 3.54Å; F432-Y450 HydrophobicContact CD2-CE1 4.14Å; F432-Y450 AromaticContact CE2-CD1 3.77Å; F432-Y450 HydrophobicContact CE2-CD1 3.77Å; F432-Y450 AromaticContact CE2-CE1 3.88Å; F432-Y450 HydrophobicContact CE2-CE1 3.88Å; F432-Y450 HydrophobicContact CG-CD1 4.21Å; F432-L451 CarbonylContact C-O 3.49Å; F432-L451 VanDerWaalsContact CA-O 3.27Å; F432-L451 WeakPolarHBondContact CA-O 3.41Å; F432-R453 PolarHBondContact O-NE 3.08Å
433	W	98.9	Very high	97.7	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.5	158.6	-71.2	125.3	0	0	0	108.8	E373 I376 A377 L421 Y424 I435 Y450 L451 R453	E373-W433 HydrophobicContact CB-CZ2 3.86Å; E373-W433 HydrophobicContact CG-CZ2 3.97Å; E373-W433 WeakPolarHBondContact O-CH2 3.46Å; E373-W433 PolarHBondContact OE1-NE1 3.13Å; I376-W433 HydrophobicContact CB-CH2 4.01Å; I376-W433 HydrophobicContact CB-CZ2 4.38Å; I376-W433 HydrophobicContact CG2-CH2 3.6Å; I376-W433 HydrophobicContact CG2-CZ2 4.05Å; I376-W433 HydrophobicContact CG2-CZ3 4.16Å; A377-W433 HydrophobicContact CB-CH2 3.82Å; A377-W433 HydrophobicContact CB-CZ3 4.1Å; L421-W433 HydrophobicContact CD1-CB 3.7Å; L421-W433 HydrophobicContact CD1-CD2 3.94Å; L421-W433 HydrophobicContact CD1-CE3 3.7Å; L421-W433 HydrophobicContact CD1-CG 3.99Å; L421-W433 HydrophobicContact CD2-CD2 4.31Å; L421-W433 HydrophobicContact CD2-CE3 3.81Å; L421-W433 HydrophobicContact CD2-CH2 4.49Å; L421-W433 HydrophobicContact CD2-CZ3 3.93Å; L421-W433 HydrophobicContact CG-CE3 4.2Å; Y424-W433 HydrophobicContact CD1-CE3 4.31Å; Y424-W433 AromaticContact CD1-CZ3 3.78Å; Y424-W433 HydrophobicContact CD1-CZ3 3.78Å; Y424-W433 HydrophobicContact CG-CE3 4.41Å; Y424-W433 HydrophobicContact CG-CZ3 4.14Å; W433-I435 HydrophobicContact CB-CD1 4.32Å; W433-I435 HydrophobicContact CB-CG1 4.28Å; W433-Y450 WeakPolarHBondContact O-CA 3.43Å; W433-L451 HydrophobicContact CB-CB 4.41Å; W433-L451 PolarHBondContact N-O 3.03Å; W433-L451 PolarHBondContact O-N 3.13Å; W433-L451 VanDerWaalsContact O-N 3.08Å; W433-R453 HydrophobicContact CD2-CB 4.1Å; W433-R453 HydrophobicContact CD2-CG 3.91Å; W433-R453 VanDerWaalsContact CE2-CG 3.46Å; W433-R453 HydrophobicContact CE3-CG 4.48Å; W433-R453 HydrophobicContact CG-CB 3.99Å; W433-R453 HydrophobicContact CG-CG 4.33Å; W433-R453 HydrophobicContact CH2-CG 4.28Å; W433-R453 HydrophobicContact CZ2-CG 3.69Å
434	A	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	171.4	0	0	0	0	0	109.1	V422 G423 F432 Y450	V422-A434 HydrophobicContact CG2-CB 4.1Å; V422-A434 WeakPolarHBondContact CG2-O 3.43Å; V422-A434 PolarHBondContact N-O 2.62Å; G423-A434 PolarHBondContact N-O 2.83Å; G423-A434 PolarHBondContact O-N 2.83Å; F432-A434 HydrophobicContact CD2-CB 4.38Å; F432-A434 HydrophobicContact CE2-CB 4.1Å; A434-Y450 HydrophobicContact CB-CD1 3.99Å; A434-Y450 HydrophobicContact CB-CE1 3.64Å
435	I	98.9	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.3	-171.5	-61.9	167.5	0	0	0	108.8	L390 V419 L420 L421 W433 Y448 Y449 L451 I460	L390-I435 HydrophobicContact CD2-CD1 4.01Å; V419-I435 HydrophobicContact CB-CG2 3.56Å; V419-I435 HydrophobicContact CG1-CG2 4.23Å; V419-I435 HydrophobicContact CG2-CG2 3.37Å; L420-I435 CarbonylContact O-C 3.47Å; L420-I435 WeakPolarHBondContact O-CA 3.48Å; L421-I435 HydrophobicContact CD1-CG1 3.85Å; W433-I435 HydrophobicContact CB-CD1 4.32Å; W433-I435 HydrophobicContact CB-CG1 4.28Å; I435-Y448 CarbonylContact O-C 3.21Å; I435-Y448 VanDerWaalsContact O-CA 3.31Å; I435-Y448 WeakPolarHBondContact O-CA 3.1Å; I435-Y449 WeakPolarHBondContact CB-O 3.02Å; I435-Y449 HydrophobicContact CD1-CD1 3.98Å; I435-Y449 PolarHBondContact N-O 3.26Å; I435-Y449 PolarHBondContact O-N 3.21Å; I435-L451 HydrophobicContact CD1-CB 3.77Å; I435-L451 HydrophobicContact CD1-CD2 4.07Å; I435-I460 HydrophobicContact CD1-CD1 3.76Å
436	K	98.9	Very high	97.6	Very high	16 Å²	16	47.3 Å²	47.3	7%	0.07	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.6	170.3	-175.5	-174.5	175	-179.1	0	108.9	V269 S270 P271 V272 L420 V422 Y448	V269-K436 HydrophobicContact CG1-CD 3.84Å; S270-K436 WeakPolarHBondContact O-CE 3.1Å; S270-K436 PolarHBondContact O-NZ 3.24Å; S270-K436 PolarHBondContact OG-NZ 2.89Å; P271-K436 VanDerWaalsContact O-CE 3.25Å; P271-K436 WeakPolarHBondContact O-CE 3.46Å; P271-K436 PolarHBondContact O-NZ 2.82Å; V272-K436 HydrophobicContact CG2-CG 4.13Å; L420-K436 HydrophobicContact CB-CB 4.21Å; L420-K436 HydrophobicContact CD2-CD 4.2Å; L420-K436 PolarHBondContact N-O 3.12Å; L420-K436 PolarHBondContact O-N 2.75Å; V422-K436 HydrophobicContact CG1-CB 3.92Å; K436-Y448 HydrophobicContact CB-CD1 4.01Å; K436-Y448 HydrophobicContact CB-CE1 3.56Å; K436-Y448 HydrophobicContact CG-CE1 3.84Å
437	N	98.8	Very high	97.7	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.22	C	C	.	.			trans	-96.6	167.7	176.7	-158.3	7.2	0	0	0	111.6	M395 H417 W439 Y443 G447	M395-N437 HydrophobicContact CE-CB 4.44Å; M395-N437 VanDerWaalsContact CE-ND2 3.29Å; M395-N437 WeakPolarHBondContact CE-ND2 3.4Å; H417-N437 PolarHBondContact NE2-OD1 3.45Å; N437-W439 WeakPolarHBondContact ND2-CZ3 3.22Å; N437-Y443 HydrophobicContact CB-CD1 4.21Å; N437-Y443 HydrophobicContact CB-CE1 4.21Å; N437-Y443 VanDerWaalsContact ND2-CD1 3.33Å; N437-Y443 WeakPolarHBondContact ND2-CD1 3.3Å; N437-Y443 WeakPolarHBondContact ND2-CE1 2.93Å; N437-G447 WeakPolarHBondContact CB-O 3.25Å; N437-G447 PolarHBondContact N-O 2.75Å
438	S	98.5	Very high	97.8	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.028	21%	0.21	C	C	.	.	S	Bend	trans	-109.8	26.3	-179.9	49.4	0	0	0	0	112.8	K273 N274 Q275	K273-S438 CarbonylContact O-C 3.54Å; K273-S438 VanDerWaalsContact O-C 3.27Å; N274-S438 CarbonylContact C-O 3.55Å; N274-S438 WeakPolarHBondContact CA-O 3.36Å; Q275-S438 WeakPolarHBondContact CG-O 3.28Å; Q275-S438 PolarHBondContact N-O 2.9Å; Q275-S438 PolarHBondContact OE1-OG 2.78Å
439	W	98.5	Very high	98.1	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-109.9	18.2	-176.7	-61.9	-16.3	0	0	0	113.7	K220 F221 F229 L234 A392 M395 H417 N437 Y443	K220-W439 WeakPolarHBondContact CE-O 3.46Å; K220-W439 PolarHBondContact NZ-O 3.05Å; F221-W439 HydrophobicContact CD2-CE3 4.47Å; F221-W439 AromaticContact CE2-CD2 3.99Å; F221-W439 HydrophobicContact CE2-CD2 3.99Å; F221-W439 AromaticContact CE2-CE3 3.45Å; F221-W439 HydrophobicContact CE2-CE3 3.45Å; F221-W439 VanDerWaalsContact CE2-CE3 3.45Å; F221-W439 HydrophobicContact CE2-CG 4.48Å; F221-W439 HydrophobicContact CE2-CZ3 4.05Å; F221-W439 HydrophobicContact CZ-CB 4.09Å; F221-W439 AromaticContact CZ-CD2 3.83Å; F221-W439 HydrophobicContact CZ-CD2 3.83Å; F221-W439 AromaticContact CZ-CE3 3.8Å; F221-W439 HydrophobicContact CZ-CE3 3.8Å; F221-W439 AromaticContact CZ-CG 3.95Å; F221-W439 HydrophobicContact CZ-CG 3.95Å; F229-W439 HydrophobicContact CE1-CH2 4.45Å; F229-W439 HydrophobicContact CE2-CH2 4.33Å; F229-W439 AromaticContact CZ-CH2 3.55Å; F229-W439 HydrophobicContact CZ-CH2 3.55Å; F229-W439 AromaticContact CZ-CZ2 3.95Å; F229-W439 HydrophobicContact CZ-CZ2 3.95Å; F229-W439 AromaticContact CZ-CZ3 3.99Å; F229-W439 HydrophobicContact CZ-CZ3 3.99Å; L234-W439 HydrophobicContact CD2-CH2 4.24Å; L234-W439 HydrophobicContact CD2-CZ2 3.61Å; A392-W439 HydrophobicContact CB-CH2 4.2Å; M395-W439 HydrophobicContact CB-CH2 3.83Å; M395-W439 HydrophobicContact CB-CZ3 3.84Å; M395-W439 HydrophobicContact CE-CH2 4.08Å; M395-W439 HydrophobicContact CE-CZ3 4.07Å; M395-W439 HydrophobicContact SD-CH2 4.46Å; H417-W439 AromaticContact CD2-CZ2 3.6Å; H417-W439 AromaticContact CE1-CE2 3.75Å; H417-W439 AromaticContact CE1-CZ2 3.64Å; H417-W439 AromaticContact CE1-NE1 3.52Å; H417-W439 AromaticContact NE2-CE2 3.54Å; H417-W439 AromaticContact NE2-CZ2 3.28Å; H417-W439 VanDerWaalsContact NE2-CZ2 3.28Å; H417-W439 WeakPolarHBondContact NE2-CZ2 3.16Å; H417-W439 AromaticContact NE2-NE1 3.72Å; N437-W439 WeakPolarHBondContact ND2-CZ3 3.22Å; W439-Y443 HydrophobicContact CB-CG 4.21Å; W439-Y443 HydrophobicContact CE3-CD1 4.13Å; W439-Y443 AromaticContact CE3-CD2 3.68Å; W439-Y443 HydrophobicContact CE3-CD2 3.68Å; W439-Y443 HydrophobicContact CE3-CE1 4.06Å; W439-Y443 AromaticContact CE3-CE2 3.56Å; W439-Y443 HydrophobicContact CE3-CE2 3.56Å; W439-Y443 AromaticContact CE3-CG 3.96Å; W439-Y443 HydrophobicContact CE3-CG 3.96Å; W439-Y443 AromaticContact CE3-CZ 3.77Å; W439-Y443 HydrophobicContact CZ3-CD2 4.25Å; W439-Y443 HydrophobicContact CZ3-CE1 4.33Å; W439-Y443 AromaticContact CZ3-CE2 3.65Å; W439-Y443 HydrophobicContact CZ3-CE2 3.65Å; W439-Y443 AromaticContact CZ3-CZ 3.7Å
440	G	98.2	Very high	98.3	Very high	7 Å²	7	28.3 Å²	28.3	7%	0.072	14%	0.144	C	C	.	.			trans	79.8	164.3	-176.9	0	0	0	0	0	114.4	K273 D442 Y443 G447	K273-G440 PolarHBondContact O-N 2.03Å; G440-D442 VanDerWaalsContact C-N 3.27Å; G440-D442 PolarHBondContact O-N 2.82Å; G440-Y443 PolarHBondContact O-N 2.81Å; G440-G447 WeakPolarHBondContact O-CA 3.31Å
441	E	97.5	Very high	98.3	Very high	125 Å²	125	26 Å²	26	58%	0.584	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-18.5	-175.3	-66	174.4	170.9	0	0	113.4	V272 Y443 E446 G447	V272-E441 HydrophobicContact CB-CG 3.74Å; V272-E441 HydrophobicContact CG1-CG 4.14Å; E441-Y443 PolarHBondContact O-N 3.47Å; E441-E446 CarbonylContact O-C 3.56Å; E441-E446 WeakPolarHBondContact O-CA 3.25Å; E441-G447 PolarHBondContact O-N 3.47Å
442	D	95.6	Very high	98.3	Very high	84 Å²	84	27.5 Å²	27.5	45%	0.449	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.2	175.9	65.8	-45.1	0	0	0	113.8	K220 G440	K220-D442 WeakPolarHBondContact CD-OD2 3.38Å; K220-D442 WeakPolarHBondContact CE-OD2 3.45Å; K220-D442 IonicContact NZ-OD1 2.66Å; K220-D442 PolarHBondContact NZ-OD1 3.27Å; K220-D442 IonicContact NZ-OD2 3.34Å; K220-D442 PolarHBondContact NZ-OD2 2.98Å; G440-D442 VanDerWaalsContact C-N 3.27Å; G440-D442 PolarHBondContact O-N 2.82Å
443	Y	97.9	Very high	98.3	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.14	C	C	.	.	S	Bend	trans	-104.7	137.7	174.5	169.2	-92.4	0	0	0	111.8	F221 M395 N437 W439 G440 E441 G447	F221-Y443 AromaticContact CE2-CD2 3.86Å; F221-Y443 HydrophobicContact CE2-CD2 3.86Å; F221-Y443 HydrophobicContact CE2-CE2 4.32Å; M395-Y443 WeakPolarHBondContact CB-OH 3.29Å; M395-Y443 HydrophobicContact CE-CE1 4.18Å; M395-Y443 VanDerWaalsContact O-CE2 3.26Å; M395-Y443 WeakPolarHBondContact O-CE2 3.45Å; M395-Y443 PolarHBondContact O-OH 3.41Å; N437-Y443 HydrophobicContact CB-CD1 4.21Å; N437-Y443 HydrophobicContact CB-CE1 4.21Å; N437-Y443 VanDerWaalsContact ND2-CD1 3.33Å; N437-Y443 WeakPolarHBondContact ND2-CD1 3.3Å; N437-Y443 WeakPolarHBondContact ND2-CE1 2.93Å; W439-Y443 HydrophobicContact CB-CG 4.21Å; W439-Y443 HydrophobicContact CE3-CD1 4.13Å; W439-Y443 AromaticContact CE3-CD2 3.68Å; W439-Y443 HydrophobicContact CE3-CD2 3.68Å; W439-Y443 HydrophobicContact CE3-CE1 4.06Å; W439-Y443 AromaticContact CE3-CE2 3.56Å; W439-Y443 HydrophobicContact CE3-CE2 3.56Å; W439-Y443 AromaticContact CE3-CG 3.96Å; W439-Y443 HydrophobicContact CE3-CG 3.96Å; W439-Y443 AromaticContact CE3-CZ 3.77Å; W439-Y443 HydrophobicContact CZ3-CD2 4.25Å; W439-Y443 HydrophobicContact CZ3-CE1 4.33Å; W439-Y443 AromaticContact CZ3-CE2 3.65Å; W439-Y443 HydrophobicContact CZ3-CE2 3.65Å; W439-Y443 AromaticContact CZ3-CZ 3.7Å; G440-Y443 PolarHBondContact O-N 2.81Å; E441-Y443 PolarHBondContact O-N 3.47Å; Y443-G447 WeakPolarHBondContact O-CA 3.49Å; Y443-G447 PolarHBondContact O-N 2.96Å
444	G	98.1	Very high	98.2	Very high	18 Å²	18	31.7 Å²	31.7	19%	0.186	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-141.9	173.4	0	0	0	0	0	113.7	R399 E446	R399-G444 CarbonylContact O-C 3.48Å; R399-G444 VanDerWaalsContact O-CA 3.3Å; R399-G444 WeakPolarHBondContact O-CA 3.22Å; G444-E446 PolarHBondContact O-N 3.21Å
445	E	98.2	Very high	98	Very high	46 Å²	46	33.7 Å²	33.7	22%	0.215	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-89.4	89.4	170.9	-76.4	178	-130.2	0	0	108.9	Y398 K400 G401 R427 G447 Y448 Y450	Y398-E445 PolarHBondContact OH-OE1 3.28Å; K400-E445 HydrophobicContact CB-CG 3.63Å; G401-E445 PolarHBondContact N-OE1 2.91Å; R427-E445 IonicContact CZ-OE1 2.72Å; R427-E445 IonicContact CZ-OE2 2.6Å; R427-E445 VanDerWaalsContact CZ-OE2 3.32Å; R427-E445 VanDerWaalsContact NH1-CD 3.29Å; R427-E445 IonicContact NH1-OE1 3.32Å; R427-E445 PolarHBondContact NH1-OE1 2.82Å; R427-E445 IonicContact NH1-OE2 2.69Å; R427-E445 PolarHBondContact NH1-OE2 2.95Å; R427-E445 IonicContact NH2-OE2 2.83Å; R427-E445 PolarHBondContact NH2-OE2 2.84Å; E445-G447 VanDerWaalsContact C-N 3.28Å; E445-G447 PolarHBondContact O-N 3.44Å; E445-Y448 PolarHBondContact N-O 2.79Å; E445-Y448 WeakPolarHBondContact O-CA 3.48Å; E445-Y448 VanDerWaalsContact O-CB 3.3Å; E445-Y448 WeakPolarHBondContact O-CB 3.07Å; E445-Y448 WeakPolarHBondContact O-CD2 3.42Å; E445-Y448 PolarHBondContact O-N 3.04Å; E445-Y450 HydrophobicContact CB-CD2 4.32Å; E445-Y450 HydrophobicContact CB-CE2 3.8Å; E445-Y450 HydrophobicContact CG-CD2 4.37Å; E445-Y450 HydrophobicContact CG-CE2 4.17Å; E445-Y450 WeakPolarHBondContact OE1-CD2 3.48Å; E445-Y450 WeakPolarHBondContact OE2-CE2 3.5Å
446	E	98	Very high	97.9	Very high	158 Å²	158	37.1 Å²	37.1	74%	0.738	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	40	176.8	-60.7	173	-169.3	0	0	113.1	E441 G444 Y448	E441-E446 CarbonylContact O-C 3.56Å; E441-E446 WeakPolarHBondContact O-CA 3.25Å; G444-E446 PolarHBondContact O-N 3.21Å; E446-Y448 VanDerWaalsContact C-N 3.35Å; E446-Y448 VanDerWaalsContact O-CD2 3.29Å; E446-Y448 WeakPolarHBondContact O-CD2 3.03Å; E446-Y448 WeakPolarHBondContact O-CE2 3.1Å
447	G	98.6	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-1.5	-175.6	0	0	0	0	0	115.2	N437 G440 E441 Y443 E445	N437-G447 WeakPolarHBondContact CB-O 3.25Å; N437-G447 PolarHBondContact N-O 2.75Å; G440-G447 WeakPolarHBondContact O-CA 3.31Å; E441-G447 PolarHBondContact O-N 3.47Å; Y443-G447 WeakPolarHBondContact O-CA 3.49Å; Y443-G447 PolarHBondContact O-N 2.96Å; E445-G447 VanDerWaalsContact C-N 3.28Å; E445-G447 PolarHBondContact O-N 3.44Å
448	Y	98.9	Very high	97.6	Very high	22 Å²	22	36.7 Å²	36.7	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149	178.8	-62.5	-91.7	0	0	0	112.7	R264 V272 V422 I435 K436 E445 E446	R264-Y448 VanDerWaalsContact CD-CZ 3.46Å; R264-Y448 WeakPolarHBondContact CD-OH 3.17Å; R264-Y448 HydrophobicContact CG-CE1 4.43Å; V272-Y448 HydrophobicContact CG2-CD2 4.4Å; V272-Y448 HydrophobicContact CG2-CE2 3.75Å; V422-Y448 HydrophobicContact CG2-CD1 4.28Å; V422-Y448 HydrophobicContact CG2-CE1 4.01Å; I435-Y448 CarbonylContact O-C 3.21Å; I435-Y448 VanDerWaalsContact O-CA 3.31Å; I435-Y448 WeakPolarHBondContact O-CA 3.1Å; K436-Y448 HydrophobicContact CB-CD1 4.01Å; K436-Y448 HydrophobicContact CB-CE1 3.56Å; K436-Y448 HydrophobicContact CG-CE1 3.84Å; E445-Y448 PolarHBondContact N-O 2.79Å; E445-Y448 WeakPolarHBondContact O-CA 3.48Å; E445-Y448 VanDerWaalsContact O-CB 3.3Å; E445-Y448 WeakPolarHBondContact O-CB 3.07Å; E445-Y448 WeakPolarHBondContact O-CD2 3.42Å; E445-Y448 PolarHBondContact O-N 3.04Å; E446-Y448 VanDerWaalsContact C-N 3.35Å; E446-Y448 VanDerWaalsContact O-CD2 3.29Å; E446-Y448 WeakPolarHBondContact O-CD2 3.03Å; E446-Y448 WeakPolarHBondContact O-CE2 3.1Å
449	Y	98.8	Very high	97.5	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	-117.4	131.5	171.8	177.7	-125.9	0	0	0	108.8	L390 M395 Y398 S403 I435 L451	L390-Y449 HydrophobicContact CD2-CE1 4.43Å; M395-Y449 HydrophobicContact CE-CD1 3.94Å; M395-Y449 HydrophobicContact CE-CG 3.94Å; M395-Y449 HydrophobicContact CG-CD1 3.9Å; M395-Y449 HydrophobicContact CG-CD2 4.18Å; M395-Y449 HydrophobicContact CG-CE1 3.63Å; M395-Y449 HydrophobicContact CG-CE2 3.93Å; M395-Y449 HydrophobicContact CG-CG 4.17Å; M395-Y449 HydrophobicContact SD-CD1 3.77Å; M395-Y449 HydrophobicContact SD-CE1 3.9Å; M395-Y449 HydrophobicContact SD-CG 4.29Å; Y398-Y449 AromaticContact CD1-CD2 3.63Å; Y398-Y449 HydrophobicContact CD1-CD2 3.63Å; Y398-Y449 HydrophobicContact CD1-CE2 4.26Å; Y398-Y449 AromaticContact CD2-CD2 3.72Å; Y398-Y449 HydrophobicContact CD2-CD2 3.72Å; Y398-Y449 AromaticContact CD2-CE2 3.57Å; Y398-Y449 HydrophobicContact CD2-CE2 3.57Å; Y398-Y449 AromaticContact CE1-CD2 3.75Å; Y398-Y449 HydrophobicContact CE1-CD2 3.75Å; Y398-Y449 AromaticContact CE2-CD2 3.83Å; Y398-Y449 HydrophobicContact CE2-CD2 3.83Å; Y398-Y449 AromaticContact CE2-CE2 3.94Å; Y398-Y449 HydrophobicContact CE2-CE2 3.94Å; Y398-Y449 AromaticContact CG-CD2 3.58Å; Y398-Y449 HydrophobicContact CG-CD2 3.58Å; Y398-Y449 AromaticContact CG-CE2 3.72Å; Y398-Y449 HydrophobicContact CG-CE2 3.72Å; Y398-Y449 AromaticContact CZ-CD2 3.82Å; S403-Y449 VanDerWaalsContact CB-CE2 3.4Å; S403-Y449 WeakPolarHBondContact CB-OH 3.42Å; S403-Y449 WeakPolarHBondContact OG-CE2 3.33Å; S403-Y449 PolarHBondContact OG-OH 2.86Å; I435-Y449 WeakPolarHBondContact CB-O 3.02Å; I435-Y449 HydrophobicContact CD1-CD1 3.98Å; I435-Y449 PolarHBondContact N-O 3.26Å; I435-Y449 PolarHBondContact O-N 3.21Å; Y449-L451 HydrophobicContact CD1-CB 4.28Å; Y449-L451 HydrophobicContact CE1-CB 3.87Å; Y449-L451 HydrophobicContact CE1-CD1 3.94Å; Y449-L451 HydrophobicContact CE1-CG 4.33Å
450	Y	98.7	Very high	97.5	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.8	174.9	-63.6	-86.1	0	0	0	109.5	R264 Y398 G401 S403 R427 F432 W433 A434 E445	R264-Y450 PolarHBondContact NH1-OH 3Å; R264-Y450 VanDerWaalsContact NH1-OH 3.12Å; R264-Y450 PolarHBondContact NH2-OH 2.9Å; Y398-Y450 PolarHBondContact OH-N 3.32Å; G401-Y450 WeakPolarHBondContact O-CB 3.43Å; S403-Y450 VanDerWaalsContact CB-O 3.24Å; S403-Y450 WeakPolarHBondContact CB-O 3.45Å; S403-Y450 PolarHBondContact N-O 3.46Å; R427-Y450 VanDerWaalsContact NH2-CZ 3.29Å; R427-Y450 PolarHBondContact NH2-OH 2.79Å; F432-Y450 AromaticContact CD2-CD1 3.54Å; F432-Y450 HydrophobicContact CD2-CD1 3.54Å; F432-Y450 HydrophobicContact CD2-CE1 4.14Å; F432-Y450 AromaticContact CE2-CD1 3.77Å; F432-Y450 HydrophobicContact CE2-CD1 3.77Å; F432-Y450 AromaticContact CE2-CE1 3.88Å; F432-Y450 HydrophobicContact CE2-CE1 3.88Å; F432-Y450 HydrophobicContact CG-CD1 4.21Å; W433-Y450 WeakPolarHBondContact O-CA 3.43Å; A434-Y450 HydrophobicContact CB-CD1 3.99Å; A434-Y450 HydrophobicContact CB-CE1 3.64Å; E445-Y450 HydrophobicContact CB-CD2 4.32Å; E445-Y450 HydrophobicContact CB-CE2 3.8Å; E445-Y450 HydrophobicContact CG-CD2 4.37Å; E445-Y450 HydrophobicContact CG-CE2 4.17Å; E445-Y450 WeakPolarHBondContact OE1-CD2 3.48Å; E445-Y450 WeakPolarHBondContact OE2-CE2 3.5Å
451	L	98.5	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.6	-176	179.9	67.8	0	0	0	110.1	L390 F432 W433 I435 Y449 R453 A457 C458 I460	L390-L451 HydrophobicContact CD2-CD2 4.5Å; F432-L451 CarbonylContact C-O 3.49Å; F432-L451 VanDerWaalsContact CA-O 3.27Å; F432-L451 WeakPolarHBondContact CA-O 3.41Å; W433-L451 HydrophobicContact CB-CB 4.41Å; W433-L451 PolarHBondContact N-O 3.03Å; W433-L451 PolarHBondContact O-N 3.13Å; W433-L451 VanDerWaalsContact O-N 3.08Å; I435-L451 HydrophobicContact CD1-CB 3.77Å; I435-L451 HydrophobicContact CD1-CD2 4.07Å; Y449-L451 HydrophobicContact CD1-CB 4.28Å; Y449-L451 HydrophobicContact CE1-CB 3.87Å; Y449-L451 HydrophobicContact CE1-CD1 3.94Å; Y449-L451 HydrophobicContact CE1-CG 4.33Å; L451-R453 PolarHBondContact O-N 3.41Å; L451-A457 HydrophobicContact CD1-CB 3.82Å; L451-A457 HydrophobicContact CD2-CB 4.23Å; L451-A457 HydrophobicContact CG-CB 4.02Å; L451-C458 HydrophobicContact CD2-CB 4.4Å; L451-I460 HydrophobicContact CD2-CB 3.87Å; L451-I460 HydrophobicContact CD2-CD1 4.19Å; L451-I460 HydrophobicContact CD2-CG1 4.08Å; L451-I460 HydrophobicContact CD2-CG2 4.19Å
452	Y	97.9	Very high	97.2	Very high	59 Å²	59	34 Å²	34	23%	0.231	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.5	175.3	-176.2	-81.2	0	0	0	112	S403 H404 I430 P431 S455	S403-Y452 PolarHBondContact O-N 3.01Å; H404-Y452 HydrophobicContact CB-CD2 4.28Å; H404-Y452 HydrophobicContact CB-CG 4.17Å; H404-Y452 AromaticContact CD2-CD1 3.88Å; H404-Y452 AromaticContact CD2-CG 3.69Å; H404-Y452 AromaticContact CE1-CD1 3.8Å; H404-Y452 AromaticContact CE1-CE1 3.96Å; H404-Y452 AromaticContact CE1-CG 3.87Å; H404-Y452 AromaticContact CG-CD2 3.91Å; H404-Y452 AromaticContact CG-CG 3.64Å; H404-Y452 AromaticContact ND1-CD2 3.7Å; H404-Y452 AromaticContact ND1-CG 3.76Å; H404-Y452 AromaticContact NE2-CD1 3.61Å; H404-Y452 AromaticContact NE2-CG 3.85Å; I430-Y452 HydrophobicContact CG2-CD2 3.75Å; I430-Y452 HydrophobicContact CG2-CE2 3.98Å; P431-Y452 HydrophobicContact CG-CE2 4.17Å; Y452-S455 VanDerWaalsContact CD1-OG 3.31Å; Y452-S455 WeakPolarHBondContact CD1-OG 3.41Å
453	R	97.8	Very high	97.2	Very high	50 Å²	50	32.2 Å²	32.2	19%	0.189	18%	0.175	C	C	.	.	S	Bend	trans	-106.8	137.1	-179.1	173.9	173.1	64.9	91.9	0.8	111.1	G425 P431 F432 W433 L451	G425-R453 PolarHBondContact O-NH2 2.81Å; P431-R453 HydrophobicContact CB-CB 4.37Å; P431-R453 VanDerWaalsContact CG-O 3.26Å; P431-R453 WeakPolarHBondContact CG-O 3.45Å; P431-R453 PolarHBondContact O-N 3.23Å; F432-R453 PolarHBondContact O-NE 3.08Å; W433-R453 HydrophobicContact CD2-CB 4.1Å; W433-R453 HydrophobicContact CD2-CG 3.91Å; W433-R453 VanDerWaalsContact CE2-CG 3.46Å; W433-R453 HydrophobicContact CE3-CG 4.48Å; W433-R453 HydrophobicContact CG-CB 3.99Å; W433-R453 HydrophobicContact CG-CG 4.33Å; W433-R453 HydrophobicContact CH2-CG 4.28Å; W433-R453 HydrophobicContact CZ2-CG 3.69Å; L451-R453 PolarHBondContact O-N 3.41Å
454	G	96.4	Very high	97.2	Very high	59 Å²	59	32.2 Å²	32.2	61%	0.608	18%	0.175	S	C	*	.	S	Bend	trans	108	6	179.6	0	0	0	0	0	114.5	E373	E373-G454 WeakPolarHBondContact OE2-CA 3.38Å; E373-G454 PolarHBondContact OE2-N 3.36Å
455	S	95.1	Very high	97.2	Very high	42 Å²	42	31.5 Å²	31.5	29%	0.294	17%	0.167	S	C	.	.	S	Bend	trans	-127.8	5.1	178.8	69.5	0	0	0	0	114.4	E373 H404 Y452 A457	E373-S455 PolarHBondContact OE2-N 3.19Å; E373-S455 VanDerWaalsContact OE2-N 3.09Å; H404-S455 PolarHBondContact NE2-OG 2.91Å; Y452-S455 VanDerWaalsContact CD1-OG 3.31Å; Y452-S455 WeakPolarHBondContact CD1-OG 3.41Å; S455-A457 PolarHBondContact O-N 2.98Å
456	N	96.6	Very high	97.2	Very high	72 Å²	72	29.3 Å²	29.3	39%	0.385	16%	0.157	S	C	.	.			trans	53.8	38.1	-169.9	-56.6	-53	0	0	0	112.4	E373 G459 N461	E373-N456 WeakPolarHBondContact CG-OD1 3.45Å; E373-N456 PolarHBondContact OE2-N 2.85Å; E373-N456 VanDerWaalsContact OE2-N 3.14Å; N456-G459 PolarHBondContact O-N 3.33Å; N456-N461 WeakPolarHBondContact CB-OD1 3.38Å; N456-N461 PolarHBondContact OD1-ND2 2.97Å
457	A	95.9	Very high	97.2	Very high	8 Å²	8	21.8 Å²	21.8	7%	0.066	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-56.4	140.6	-174.3	0	0	0	0	0	111.4	L451 S455 G459 I460	L451-A457 HydrophobicContact CD1-CB 3.82Å; L451-A457 HydrophobicContact CD2-CB 4.23Å; L451-A457 HydrophobicContact CG-CB 4.02Å; S455-A457 PolarHBondContact O-N 2.98Å; A457-G459 PolarHBondContact O-N 3.47Å; A457-I460 WeakPolarHBondContact O-CB 3.49Å; A457-I460 WeakPolarHBondContact O-CG2 3.32Å; A457-I460 PolarHBondContact O-N 2.89Å
458	C	96.1	Very high	97.2	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.02	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	55.1	7.8	179.1	-52.9	0	0	0	0	116.3	L390 N391 C410 L451	L390-C458 CarbonylContact C-O 3.55Å; L390-C458 WeakPolarHBondContact CA-O 3.41Å; L390-C458 HydrophobicContact CB-CB 3.99Å; L390-C458 HydrophobicContact CD1-CB 4.48Å; N391-C458 PolarHBondContact N-O 2.96Å; C410-C458 HydrophobicContact CB-CB 3.96Å; C410-C458 WeakPolarHBondContact CB-SG 3.41Å; C410-C458 WeakPolarHBondContact SG-CB 3.42Å; C410-C458 CovalentContact SG-SG 2.03Å; C410-C458 PolarHBondContact SG-SG 3.31Å; L451-C458 HydrophobicContact CD2-CB 4.4Å
459	G	96.4	Very high	97	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	80.4	15.3	-174.6	0	0	0	0	0	114.8	N456 A457 N461 K462	N456-G459 PolarHBondContact O-N 3.33Å; A457-G459 PolarHBondContact O-N 3.47Å; G459-N461 PolarHBondContact O-N 3.25Å; G459-K462 WeakPolarHBondContact O-CB 3.14Å; G459-K462 WeakPolarHBondContact O-CG 3.39Å; G459-K462 PolarHBondContact O-N 3.39Å
460	I	97.6	Very high	96.4	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-33	-175.1	-168.3	68.3	0	0	0	114.5	V388 L390 I435 L451 A457 C464	V388-I460 HydrophobicContact CB-CD1 4.15Å; V388-I460 HydrophobicContact CG2-CD1 3.54Å; V388-I460 HydrophobicContact CG2-CG1 4.44Å; L390-I460 HydrophobicContact CB-CD1 4.15Å; L390-I460 HydrophobicContact CD2-CD1 3.65Å; L390-I460 HydrophobicContact CG-CD1 4.44Å; I435-I460 HydrophobicContact CD1-CD1 3.76Å; L451-I460 HydrophobicContact CD2-CB 3.87Å; L451-I460 HydrophobicContact CD2-CD1 4.19Å; L451-I460 HydrophobicContact CD2-CG1 4.08Å; L451-I460 HydrophobicContact CD2-CG2 4.19Å; A457-I460 WeakPolarHBondContact O-CB 3.49Å; A457-I460 WeakPolarHBondContact O-CG2 3.32Å; A457-I460 PolarHBondContact O-N 2.89Å; I460-C464 PolarHBondContact O-SG 3.42Å; I460-C464 VanDerWaalsContact O-SG 3.33Å
461	N	97	Very high	96.3	Very high	15 Å²	15	29.8 Å²	29.8	8%	0.08	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0	-177.3	74.2	-48.9	0	0	0	114.6	K371 E373 I376 N456 G459	K371-N461 WeakPolarHBondContact CB-O 3.3Å; K371-N461 WeakPolarHBondContact CG-O 3.47Å; K371-N461 PolarHBondContact O-ND2 2.93Å; E373-N461 HydrophobicContact CG-CB 4.2Å; I376-N461 HydrophobicContact CD1-CB 3.74Å; N456-N461 WeakPolarHBondContact CB-OD1 3.38Å; N456-N461 PolarHBondContact OD1-ND2 2.97Å; G459-N461 PolarHBondContact O-N 3.25Å
462	K	94.1	Very high	96.2	Very high	60 Å²	60	31.4 Å²	31.4	26%	0.261	18%	0.178	S	C	.	.	S	Bend	trans	-83.3	-32	-170.8	-68.5	-83.1	-170.9	165.6	0	113.9	K371 I415 G459	K371-K462 WeakPolarHBondContact CE-O 3.44Å; I415-K462 HydrophobicContact CD1-CB 3.49Å; I415-K462 VanDerWaalsContact CD1-CB 3.49Å; I415-K462 HydrophobicContact CD1-CG 3.87Å; G459-K462 WeakPolarHBondContact O-CB 3.14Å; G459-K462 WeakPolarHBondContact O-CG 3.39Å; G459-K462 PolarHBondContact O-N 3.39Å
463	M	94.9	Very high	96.1	Very high	48 Å²	48	29.8 Å²	29.8	24%	0.236	18%	0.175	C	C	.	.	S	Bend	trans	-133.7	54.5	-170	-64.4	-173.7	70.9	0	0	110.7	L238 L323 V388 A389 I415	L238-M463 HydrophobicContact CB-SD 4.42Å; L238-M463 HydrophobicContact CD2-CE 3.72Å; L238-M463 HydrophobicContact CD2-SD 4.23Å; L323-M463 HydrophobicContact CD2-CE 4.47Å; V388-M463 WeakPolarHBondContact CA-O 3.18Å; A389-M463 HydrophobicContact CB-CB 4Å; A389-M463 HydrophobicContact CB-SD 4.09Å; I415-M463 HydrophobicContact CD1-CG 4.32Å; I415-M463 HydrophobicContact CD1-SD 4.35Å; I415-M463 HydrophobicContact CG2-SD 3.98Å
464	C	97.3	Very high	96	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	17%	0.174	C	C	.	.			trans	-89	128	179.7	-56.7	0	0	0	0	110.4	I369 I376 I386 V388 I460	I369-C464 HydrophobicContact CB-CB 3.76Å; I369-C464 HydrophobicContact CG1-CB 4.25Å; I369-C464 PolarHBondContact N-O 2.85Å; I376-C464 VanDerWaalsContact CD1-SG 3.59Å; I386-C464 HydrophobicContact CG2-CB 4Å; V388-C464 HydrophobicContact CG1-CB 4.31Å; I460-C464 PolarHBondContact O-SG 3.42Å; I460-C464 VanDerWaalsContact O-SG 3.33Å
465	S	97.9	Very high	95.9	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.5	-173.8	59.2	0	0	0	0	113.2	L367 I386 S387	L367-S465 VanDerWaalsContact O-CA 3.22Å; L367-S465 WeakPolarHBondContact O-CA 3.49Å; I386-S465 WeakPolarHBondContact CG2-O 3.32Å; S387-S465 PolarHBondContact N-O 3.34Å; S387-S465 PolarHBondContact O-N 2.97Å; S387-S465 PolarHBondContact O-OG 2.83Å
466	S	98.4	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.5	172.2	-175.7	0	0	0	0	112.2	N289 Q293 S366 L367 W379	N289-S466 WeakPolarHBondContact ND2-CB 3.18Å; N289-S466 PolarHBondContact ND2-OG 2.81Å; N289-S466 WeakPolarHBondContact OD1-CA 3.36Å; N289-S466 PolarHBondContact OD1-OG 3.07Å; Q293-S466 WeakPolarHBondContact CG-OG 3.15Å; Q293-S466 PolarHBondContact NE2-OG 2.84Å; S366-S466 CarbonylContact C-O 3.59Å; S366-S466 WeakPolarHBondContact CA-O 3.48Å; L367-S466 PolarHBondContact N-O 2.94Å; L367-S466 PolarHBondContact O-N 3.22Å; L367-S466 VanDerWaalsContact O-N 3.07Å; W379-S466 VanDerWaalsContact CH2-OG 3.3Å; W379-S466 WeakPolarHBondContact CH2-OG 3.01Å
467	A	98.2	Very high	96	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	162.4	160.8	0	0	0	0	0	112.5	N289 I290 Q293 Y328 I363 S365	N289-A467 WeakPolarHBondContact OD1-CB 3.27Å; N289-A467 PolarHBondContact OD1-N 3.21Å; I290-A467 HydrophobicContact CG1-CB 3.71Å; Q293-A467 HydrophobicContact CG-CB 4.41Å; Y328-A467 HydrophobicContact CD1-CB 4.09Å; Y328-A467 HydrophobicContact CE1-CB 3.76Å; I363-A467 HydrophobicContact CB-CB 4.15Å; I363-A467 HydrophobicContact CD1-CB 4.36Å; I363-A467 HydrophobicContact CG2-CB 3.64Å; S365-A467 CarbonylContact O-C 3.57Å
468	V	97.7	Very high	96	Very high	29 Å²	29	23.5 Å²	23.5	18%	0.176	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.4	169.5	-179.2	0	0	0	0	108.2	N364 S365 L367 N470	N364-V468 PolarHBondContact N-O 3.15Å; S365-V468 PolarHBondContact O-N 2.63Å; L367-V468 HydrophobicContact CD1-CG2 3.59Å; L367-V468 HydrophobicContact CD2-CG2 4.35Å; L367-V468 HydrophobicContact CG-CG2 3.62Å; V468-N470 WeakPolarHBondContact CG1-OD1 3.25Å
469	V	95.9	Very high	96	Very high	16 Å²	16	25.3 Å²	25.3	10%	0.097	13%	0.132	C	C	.	.			trans	-118.8	118.1	174.1	-169.7	0	0	0	0	107.8	Q293 W294 K297 I363	Q293-V469 HydrophobicContact CB-CG2 3.92Å; W294-V469 HydrophobicContact CE3-CG1 3.55Å; W294-V469 HydrophobicContact CE3-CG2 4.38Å; W294-V469 HydrophobicContact CZ3-CG1 3.73Å; K297-V469 HydrophobicContact CB-CB 4.25Å; K297-V469 HydrophobicContact CB-CG1 4.16Å; K297-V469 HydrophobicContact CG-CB 4.3Å; K297-V469 HydrophobicContact CG-CG1 3.87Å; I363-V469 HydrophobicContact CG2-CG2 4.41Å
470	N	86	Confident	95.9	Very high	125 Å²	125	27.5 Å²	27.5	67%	0.668	14%	0.144	S	C	*	.			trans	-94.7	0	-171.7	-71.9	-32	0	0	0	114.9	K297 N364 V468	K297-N470 VanDerWaalsContact CE-C 3.41Å; K297-N470 VanDerWaalsContact CE-O 3.29Å; K297-N470 WeakPolarHBondContact CE-O 3.1Å; K297-N470 WeakPolarHBondContact CE-OXT 3.22Å; K297-N470 VanDerWaalsContact NZ-C 3.34Å; K297-N470 PolarHBondContact NZ-OXT 3.35Å; N364-N470 WeakPolarHBondContact CB-ND2 3.44Å; N364-N470 WeakPolarHBondContact OD1-CB 3.47Å; N364-N470 PolarHBondContact OD1-N 3.49Å; V468-N470 WeakPolarHBondContact CG1-OD1 3.25Å

Retrieved 470 of 470 residues in 93.4 ms (Link to these results)

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