A0A5K4F103_SCHMA Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A5K4F103, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 985 aa.

						>A0A5K4F103_SCHMA|A0A5K4F103
MLAVDNSDGRYFDSTDHCQCTHSMHAKNLTNKTLIQSKKSFIILIVLTLELIFVDHASAVSSSSYFENGPVFKNILTTSATENIDDENNMSNYSSEDFRLPHTLFPHFYDLSIQVHLHDNKSQAFFFNGSVTIKVFCNVSTTEIFVHAYKTLDVKLDKIQMVPLHERNQTSSIIEIEDINYFQDAECYRIKLKMPLRPNTYYNLTFGQFCSDLNYVSEGLYLSRYLENGVYEYLASTQLEANYARRVFPCWDEPEFKAKFKVNIIRHKSFHSLSNMNLESTKVLYDNWCLDTYNTSVKMSTYLLAIVVSRFSNIRRTDNRGRNFTVWARPEKIRSAKYALDVGIKLLEHFEDYFGIPYSLHKMDMIAIPNSSITAMENWGLITFRENLMLWNPENGSIASPIDVASTVSHELSHQWFGNIVTMKWWDNLWLNEGFATFMEYIGVQSLHPEWKVDELFILDELIQVLRSDTSKKSRPVIFPANTTTQIKRMFDLITYSKGASLIWMMEKFMGRSAFQNGLKKYLIQNQYKNTNEKDLWKALSNEWNTQGNHLDIEFIMDSWTKQMNYPLVIVRRHGSNMFCFEQTRYLQNCDNNSLPENHEYSWIIPITYGSAKTVNWTDADILWMVNKTMNQTMNISSDDWYLLNVRQEGLYRVHYADNNWKLLVNQLQRNFMAIPVYSRTQILNDLFSLANHHIVPYTLFLNATKYLDRENQFIVWITSSRAFRYINSMFVLNENYDVYQAYLRTLLDNQIRSVNWSFVSEVQHPLKMRSYYAVIKLACIAEHHLCVNKTTELFKQWMSEPKTNPIRPDMRLITYCTAIRFGGQKEWKFLRSQLMLNDSVNEEENEKKVLALACSRDVGIMKKHLNWVKENKEFWDTLYYFAQSPVGNRLLWDYLSDIDNFVEQKDFTKAILNTLIEYRYLVYDGTNHEKILVTEDSDQIDPELQKKIEKLLQKTRKKMKWTEDFSDVIIQWLNENVPVVTHLL
					

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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	25.7	Very low	26	Very low	244 Å²	244	151.1 Å²	151.1	100%	1.202	82%	0.822	S	S	*	*				0	104.9	0	-114.1	179.5	164.1	0	0	108.3
2	L	28.4	Very low	26.1	Very low	169 Å²	169	155 Å²	155	89%	0.885	83%	0.826	S	S	*	*			trans	179.6	86.7	149.1	-98.3	164.5	0	0	0	104.8
3	A	22.1	Very low	26.1	Very low	99 Å²	99	153.1 Å²	153.1	82%	0.818	82%	0.816	S	S	*	*			trans	-68.9	124.4	163.9	0	0	0	0	0	107.2
4	V	27.7	Very low	25.9	Very low	125 Å²	125	149.9 Å²	149.9	76%	0.758	81%	0.811	S	S	*	*			trans	-113	93.4	161.7	179.5	0	0	0	0	105.5
5	D	22.9	Very low	25.8	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	80%	0.802	S	S	*	*			trans	-75.2	125.9	161.7	-163.7	-0.5	0	0	0	107
6	N	29.2	Very low	25.8	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	80%	0.802	S	S	*	*			trans	-153.8	85.6	160.5	-98.8	-20.1	0	0	0	107.7	D8	N6-D8 PolarHBondContact O-N 3.44Å
7	S	22.7	Very low	25.8	Very low	92 Å²	92	150.1 Å²	150.1	64%	0.643	81%	0.808	S	S	*	*			trans	-18.1	109.1	136.3	54.3	0	0	0	0	114.1
8	D	27	Very low	25.7	Very low	138 Å²	138	149.3 Å²	149.3	74%	0.738	81%	0.814	S	S	*	*			trans	-153.7	91.8	147.6	-110.5	-5.1	0	0	0	108.4	N6 R10	N6-D8 PolarHBondContact O-N 3.44Å; D8-R10 PolarHBondContact O-N 3.24Å
9	G	24	Very low	25.6	Very low	80 Å²	80	151 Å²	151	83%	0.825	82%	0.816	S	S	*	*			trans	-64.9	112.3	173.9	0	0	0	0	0	110.8
10	R	28.9	Very low	25.4	Very low	203 Å²	203	149.5 Å²	149.5	77%	0.766	82%	0.816	S	S	*	*			trans	-130.6	108	158	-70.4	-171.5	-131.8	-177.7	4.5	108.7	D8 F12	D8-R10 PolarHBondContact O-N 3.24Å; R10-F12 PolarHBondContact O-N 3.49Å
11	Y	27	Very low	25.5	Very low	232 Å²	232	149.5 Å²	149.5	91%	0.91	82%	0.821	S	S	*	*			trans	-49.2	118.4	166.7	-77.3	-99.2	0	0	0	109.7
12	F	27.7	Very low	25.5	Very low	198 Å²	198	146.9 Å²	146.9	87%	0.868	81%	0.805	S	S	*	*			trans	-98.6	89.4	155.9	-95.6	-87.4	0	0	0	106.5	R10 S14	R10-F12 PolarHBondContact O-N 3.49Å; F12-S14 PolarHBondContact O-N 3.13Å
13	D	25.4	Very low	25.3	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	80%	0.802	S	S	*	*			trans	-66.3	121.7	168.9	-166.9	-14.4	0	0	0	108.4	T15	D13-T15 PolarHBondContact O-N 3.36Å; D13-T15 PolarHBondContact OD1-OG1 3.49Å
14	S	24.4	Very low	25.5	Very low	108 Å²	108	148.1 Å²	148.1	76%	0.755	81%	0.805	S	S	*	*			trans	-99	66.8	-173.6	58.3	0	0	0	0	109.7	F12	F12-S14 PolarHBondContact O-N 3.13Å
15	T	24	Very low	25.6	Very low	110 Å²	110	151.1 Å²	151.1	68%	0.675	81%	0.81	S	S	*	*			trans	-151	139.6	165.1	40.7	0	0	0	0	109.9	D13	D13-T15 PolarHBondContact O-N 3.36Å; D13-T15 PolarHBondContact OD1-OG1 3.49Å
16	D	25.5	Very low	25.8	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	81%	0.813	S	S	*	*	S	Bend	trans	75.8	76	175.1	-60.1	-18.5	0	0	0	118.8
17	H	25.6	Very low	25.8	Very low	194 Å²	194	151.2 Å²	151.2	90%	0.898	82%	0.815	S	S	*	*			trans	-162.6	67.8	139.5	-109.3	46.4	0	0	0	112
18	C	24.1	Very low	26.1	Very low	136 Å²	136	154.1 Å²	154.1	92%	0.919	82%	0.824	S	S	*	*	S	Bend	trans	-130.9	19.1	169.6	-105.3	0	0	0	0	114.3
19	Q	23.4	Very low	26.1	Very low	182 Å²	182	154.5 Å²	154.5	85%	0.85	83%	0.825	S	S	*	*	S	Bend	trans	-128.3	130.7	168.4	-71.8	-174.1	-11.5	0	0	109.9
20	C	23.3	Very low	26.4	Very low	121 Å²	121	156.7 Å²	156.7	82%	0.818	82%	0.822	S	S	*	*			trans	86.1	68.5	170.2	-56.3	0	0	0	0	118.3
21	T	27.2	Very low	26.5	Very low	150 Å²	150	152.8 Å²	152.8	92%	0.92	82%	0.817	S	S	*	*			trans	-136.2	53.2	141.8	43	0	0	0	0	111.7
22	H	24.7	Very low	27	Very low	189 Å²	189	151 Å²	151	88%	0.875	81%	0.813	S	S	*	*	S	Bend	trans	-99.5	127.6	151.4	-93.3	-73.1	0	0	0	108.1
23	S	25	Very low	27.5	Very low	117 Å²	117	147 Å²	147	82%	0.818	81%	0.806	S	S	*	*	S	Bend	trans	83.8	83.6	-178.7	108.7	0	0	0	0	115.3
24	M	25.4	Very low	27.9	Very low	177 Å²	177	146.5 Å²	146.5	87%	0.872	80%	0.802	S	S	*	*			trans	180	85.6	132.6	-98.9	-161.4	175.5	0	0	108.4
25	H	29.5	Very low	28.6	Very low	188 Å²	188	144.3 Å²	144.3	87%	0.87	78%	0.781	S	S	*	*			trans	-171.7	48.1	143.9	-90.6	-44.4	0	0	0	110.1
26	A	27.8	Very low	29.5	Very low	97 Å²	97	146.3 Å²	146.3	80%	0.802	78%	0.783	S	S	*	*	S	Bend	trans	-100.8	74.4	160.5	0	0	0	0	0	107.9
27	K	29.6	Very low	30.5	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	77%	0.773	S	S	*	*	S	Bend	trans	163.5	98.8	162	-94	162.2	-174.6	-175.8	0	108.6
28	N	27.8	Very low	31.5	Very low	154 Å²	154	140.4 Å²	140.4	82%	0.824	76%	0.758	S	S	*	*			trans	157.7	33.5	153.1	-79.2	-10	0	0	0	113	T30	N28-T30 PolarHBondContact O-N 2.74Å
29	L	28	Very low	32.5	Very low	145 Å²	145	140.3 Å²	140.3	76%	0.759	74%	0.742	S	S	*	*			trans	-97.5	60.8	169.9	-83	158.2	0	0	0	110.7	I35	L29-I35 HydrophobicContact CD2-CD1 3.7Å; L29-I35 HydrophobicContact CD2-CG1 4.11Å
30	T	31.1	Very low	34	Very low	126 Å²	126	135.5 Å²	135.5	77%	0.773	73%	0.729	S	S	*	*			trans	-130.2	67.2	166	46.4	0	0	0	0	109.2	N28	N28-T30 PolarHBondContact O-N 2.74Å
31	N	31.1	Very low	35.4	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	72%	0.718	S	S	*	*			trans	-158.8	104.1	155	-104.2	-22.8	0	0	0	109.9	T33 L34	N31-T33 PolarHBondContact O-N 2.8Å; N31-L34 PolarHBondContact O-N 2.98Å
32	K	36.6	Very low	36.8	Very low	193 Å²	193	133.7 Å²	133.7	84%	0.839	70%	0.698	S	S	*	*	H	α-helix	trans	-64.2	-22	-172.2	-84	-179.3	173.2	178.5	0	114.1
33	T	38.2	Very low	38.4	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	68%	0.681	S	S	*	*	H	α-helix	trans	-80.2	-26.4	-176	36.1	0	0	0	0	113.8	N31	N31-T33 PolarHBondContact O-N 2.8Å
34	L	32.9	Very low	39.8	Very low	119 Å²	119	129.1 Å²	129.1	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-81.3	-19	177.6	-133.7	89.9	0	0	0	113.2	N31	N31-L34 PolarHBondContact O-N 2.98Å
35	I	39.1	Very low	41.4	Very low	61 Å²	61	124.1 Å²	124.1	31%	0.313	65%	0.646	S	S	.	*	H	α-helix	trans	-74.6	-30.9	-175.5	-64.7	173.2	0	0	0	111.9	L29 K39	L29-I35 HydrophobicContact CD2-CD1 3.7Å; L29-I35 HydrophobicContact CD2-CG1 4.11Å; I35-K39 HydrophobicContact CG2-CD 4.04Å; I35-K39 HydrophobicContact CG2-CG 4.31Å; I35-K39 WeakPolarHBondContact O-CB 3.4Å; I35-K39 WeakPolarHBondContact O-CG 3.45Å; I35-K39 PolarHBondContact O-N 3.44Å; I35-K39 VanDerWaalsContact O-N 3.13Å
36	Q	44	Very low	42.4	Very low	152 Å²	152	118.6 Å²	118.6	71%	0.71	63%	0.625	S	S	*	*	H	α-helix	trans	-70.3	-40.2	178.3	-90	176.3	-27.9	0	0	112.3	S40	Q36-S40 PolarHBondContact O-N 3.37Å; Q36-S40 PolarHBondContact O-OG 3.34Å
37	S	47.2	Very low	43.1	Very low	84 Å²	84	118.1 Å²	118.1	59%	0.587	61%	0.608	S	S	*	*	H	α-helix	trans	-65.8	-43.6	179.1	158.4	0	0	0	0	112.6	F41	S37-F41 PolarHBondContact O-N 2.78Å
38	K	44.7	Very low	43.9	Very low	135 Å²	135	112.7 Å²	112.7	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-74.3	-32.9	179.4	-77.5	-171.6	174.5	-173.9	0	113.5	F41 I42	K38-F41 PolarHBondContact O-N 2.76Å; K38-I42 WeakPolarHBondContact O-CB 3.42Å; K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 3.19Å
39	K	46.1	Very low	44.2	Very low	135 Å²	135	109.8 Å²	109.8	59%	0.587	57%	0.574	S	S	*	*	H	α-helix	trans	-65.7	-41.3	174.8	-80.3	-172.7	175.8	-171.3	0	111.6	I35 F41 I43	I35-K39 HydrophobicContact CG2-CD 4.04Å; I35-K39 HydrophobicContact CG2-CG 4.31Å; I35-K39 WeakPolarHBondContact O-CB 3.4Å; I35-K39 WeakPolarHBondContact O-CG 3.45Å; I35-K39 PolarHBondContact O-N 3.44Å; I35-K39 VanDerWaalsContact O-N 3.13Å; K39-F41 VanDerWaalsContact C-N 3.34Å; K39-F41 PolarHBondContact O-N 3.23Å; K39-I43 VanDerWaalsContact O-CB 3.3Å; K39-I43 WeakPolarHBondContact O-CB 3.2Å; K39-I43 WeakPolarHBondContact O-CD1 3.39Å; K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 2.9Å
40	S	54.3	Low	44.5	Very low	80 Å²	80	108.7 Å²	108.7	56%	0.559	57%	0.565	S	S	*	*	H	α-helix	trans	-64.1	-39.5	174.7	-60.4	0	0	0	0	111.9	Q36 L44	Q36-S40 PolarHBondContact O-N 3.37Å; Q36-S40 PolarHBondContact O-OG 3.34Å; S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 PolarHBondContact O-N 3.17Å
41	F	54.4	Low	44.6	Very low	135 Å²	135	106.4 Å²	106.4	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-71.2	-38.5	179.3	-162.9	-106.3	0	0	0	113.2	S37 K38 K39 L44 I45	S37-F41 PolarHBondContact O-N 2.78Å; K38-F41 PolarHBondContact O-N 2.76Å; K39-F41 VanDerWaalsContact C-N 3.34Å; K39-F41 PolarHBondContact O-N 3.23Å; F41-L44 PolarHBondContact O-N 3.4Å; F41-I45 HydrophobicContact CD1-CD1 3.64Å; F41-I45 HydrophobicContact CD1-CG1 4.49Å; F41-I45 HydrophobicContact CE1-CD1 3.35Å; F41-I45 HydrophobicContact CE1-CG1 4.35Å; F41-I45 HydrophobicContact CZ-CD1 4.05Å; F41-I45 WeakPolarHBondContact O-CG1 3.3Å; F41-I45 PolarHBondContact O-N 2.76Å
42	I	56.4	Low	44.8	Very low	99 Å²	99	105.8 Å²	105.8	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-72	-38.3	176.5	-66.7	168.9	0	0	0	110.9	K38 L44 I45 V46	K38-I42 WeakPolarHBondContact O-CB 3.42Å; K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 3.19Å; I42-L44 VanDerWaalsContact C-N 3.29Å; I42-L44 PolarHBondContact O-N 3Å; I42-I45 PolarHBondContact O-N 2.81Å; I42-V46 HydrophobicContact CG2-CG2 4.2Å; I42-V46 WeakPolarHBondContact O-CB 3.28Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 3.4Å
43	I	57.9	Low	44.5	Very low	99 Å²	99	104 Å²	104	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-39.3	172.6	-69	166.6	0	0	0	110	K39 I45 V46 L47	K39-I43 VanDerWaalsContact O-CB 3.3Å; K39-I43 WeakPolarHBondContact O-CB 3.2Å; K39-I43 WeakPolarHBondContact O-CD1 3.39Å; K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 2.9Å; I43-I45 PolarHBondContact O-N 2.81Å; I43-V46 PolarHBondContact O-N 2.75Å; I43-L47 HydrophobicContact CG2-CD1 3.58Å; I43-L47 HydrophobicContact CG2-CG 4.19Å; I43-L47 VanDerWaalsContact O-CB 3.25Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 WeakPolarHBondContact O-CD1 3.21Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.26Å
44	L	54.1	Low	44.1	Very low	111 Å²	111	103.7 Å²	103.7	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-37.8	175.6	-145.4	91.3	0	0	0	112.6	S40 F41 I42 T48	S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 PolarHBondContact O-N 3.17Å; F41-L44 PolarHBondContact O-N 3.4Å; I42-L44 VanDerWaalsContact C-N 3.29Å; I42-L44 PolarHBondContact O-N 3Å; L44-T48 WeakPolarHBondContact O-CB 3.47Å; L44-T48 WeakPolarHBondContact O-CG2 3.36Å; L44-T48 PolarHBondContact O-N 3.05Å; L44-T48 PolarHBondContact O-OG1 3.47Å
45	I	58.4	Low	44	Very low	72 Å²	72	100.4 Å²	100.4	37%	0.369	52%	0.517	S	S	.	.	H	α-helix	trans	-72	-41.7	177	-72	172	0	0	0	111.6	F41 I42 I43 T48 L49	F41-I45 HydrophobicContact CD1-CD1 3.64Å; F41-I45 HydrophobicContact CD1-CG1 4.49Å; F41-I45 HydrophobicContact CE1-CD1 3.35Å; F41-I45 HydrophobicContact CE1-CG1 4.35Å; F41-I45 HydrophobicContact CZ-CD1 4.05Å; F41-I45 WeakPolarHBondContact O-CG1 3.3Å; F41-I45 PolarHBondContact O-N 2.76Å; I42-I45 PolarHBondContact O-N 2.81Å; I43-I45 PolarHBondContact O-N 2.81Å; I45-T48 VanDerWaalsContact CA-OG1 3.26Å; I45-T48 WeakPolarHBondContact CA-OG1 3.38Å; I45-T48 PolarHBondContact O-N 2.82Å; I45-T48 PolarHBondContact O-OG1 2.84Å; I45-L49 HydrophobicContact CG2-CD1 3.7Å; I45-L49 HydrophobicContact CG2-CG 4.36Å; I45-L49 VanDerWaalsContact O-CB 3.31Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 WeakPolarHBondContact O-CG 3.49Å; I45-L49 PolarHBondContact O-N 2.95Å
46	V	50.6	Low	43.4	Very low	72 Å²	72	105.5 Å²	105.5	44%	0.436	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-40.2	177.4	173.5	0	0	0	0	110.2	I42 I43 L49 E50	I42-V46 HydrophobicContact CG2-CG2 4.2Å; I42-V46 WeakPolarHBondContact O-CB 3.28Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 3.4Å; I43-V46 PolarHBondContact O-N 2.75Å; V46-L49 PolarHBondContact O-N 3.27Å; V46-E50 WeakPolarHBondContact O-CB 3.39Å; V46-E50 WeakPolarHBondContact O-CG 3.46Å; V46-E50 PolarHBondContact O-N 2.98Å
47	L	42.7	Very low	42.6	Very low	87 Å²	87	101.9 Å²	101.9	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-38.4	174.4	-69.6	170.6	0	0	0	112.3	I43 L51	I43-L47 HydrophobicContact CG2-CD1 3.58Å; I43-L47 HydrophobicContact CG2-CG 4.19Å; I43-L47 VanDerWaalsContact O-CB 3.25Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 WeakPolarHBondContact O-CD1 3.21Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CD1 3.42Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.22Å
48	T	45.6	Very low	41.7	Very low	70 Å²	70	101.3 Å²	101.3	43%	0.429	53%	0.532	S	S	.	.	H	α-helix	trans	-70.8	-33.9	175.2	40.8	0	0	0	0	112.8	L44 I45 L51 I52	L44-T48 WeakPolarHBondContact O-CB 3.47Å; L44-T48 WeakPolarHBondContact O-CG2 3.36Å; L44-T48 PolarHBondContact O-N 3.05Å; L44-T48 PolarHBondContact O-OG1 3.47Å; I45-T48 VanDerWaalsContact CA-OG1 3.26Å; I45-T48 WeakPolarHBondContact CA-OG1 3.38Å; I45-T48 PolarHBondContact O-N 2.82Å; I45-T48 PolarHBondContact O-OG1 2.84Å; T48-L51 PolarHBondContact O-N 3.27Å; T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 3.43Å
49	L	35.1	Very low	40.9	Very low	92 Å²	92	97.3 Å²	97.3	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-36.5	173.1	-75.6	167.1	0	0	0	112.3	I45 V46 L51 I52 F53	I45-L49 HydrophobicContact CG2-CD1 3.7Å; I45-L49 HydrophobicContact CG2-CG 4.36Å; I45-L49 VanDerWaalsContact O-CB 3.31Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 WeakPolarHBondContact O-CG 3.49Å; I45-L49 PolarHBondContact O-N 2.95Å; V46-L49 PolarHBondContact O-N 3.27Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 2.9Å; L49-I52 PolarHBondContact O-N 3.35Å; L49-F53 WeakPolarHBondContact O-CD2 3.33Å
50	E	34.9	Very low	39.8	Very low	122 Å²	122	96.4 Å²	96.4	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-35	170.8	-78.9	-175.6	173.4	0	0	111.8	V46 F53 V54	V46-E50 WeakPolarHBondContact O-CB 3.39Å; V46-E50 WeakPolarHBondContact O-CG 3.46Å; V46-E50 PolarHBondContact O-N 2.98Å; E50-F53 PolarHBondContact O-N 3.15Å; E50-V54 WeakPolarHBondContact O-CG2 3.4Å; E50-V54 PolarHBondContact O-N 2.81Å
51	L	32.4	Very low	38.5	Very low	78 Å²	78	95.7 Å²	95.7	41%	0.408	52%	0.524	S	S	.	.	H	α-helix	trans	-71.1	-33.1	179.2	-76.7	163.4	0	0	0	113.7	L47 T48 L49 F53	L47-L51 WeakPolarHBondContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CD1 3.42Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.22Å; T48-L51 PolarHBondContact O-N 3.27Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 2.9Å; L51-F53 PolarHBondContact O-N 2.85Å
52	I	35.2	Very low	37.3	Very low	110 Å²	110	94.5 Å²	94.5	56%	0.564	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-28.7	177.3	-67.7	166.5	0	0	0	111.7	T48 L49	T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 3.43Å; L49-I52 PolarHBondContact O-N 3.35Å
53	F	29.4	Very low	35.7	Very low	155 Å²	155	95.5 Å²	95.5	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-95.2	-17	-174.6	-74.3	-72	0	0	0	115.2	L49 E50 L51	L49-F53 WeakPolarHBondContact O-CD2 3.33Å; E50-F53 PolarHBondContact O-N 3.15Å; L51-F53 PolarHBondContact O-N 2.85Å
54	V	31.5	Very low	34	Very low	110 Å²	110	95.8 Å²	95.8	67%	0.667	56%	0.559	S	S	*	*	H	α-helix	trans	-88.6	-18.1	177.5	-178.9	0	0	0	0	112.3	E50 H56	E50-V54 WeakPolarHBondContact O-CG2 3.4Å; E50-V54 PolarHBondContact O-N 2.81Å; V54-H56 PolarHBondContact O-N 3.09Å
55	D	30.3	Very low	32.4	Very low	50 Å²	50	100.9 Å²	100.9	27%	0.267	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	9.5	-170.4	-87.8	-14.7	0	0	0	116.7	K906	D55-K906 IonicContact OD2-NZ 2.85Å
56	H	26.7	Very low	30.8	Very low	167 Å²	167	107.9 Å²	107.9	77%	0.773	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	6.3	177.2	-80.5	-16	0	0	0	116.7	V54	V54-H56 PolarHBondContact O-N 3.09Å
57	A	27.8	Very low	29.4	Very low	77 Å²	77	112.8 Å²	112.8	64%	0.636	62%	0.619	S	S	*	*	S	Bend	trans	-94.3	-14.3	178.5	0	0	0	0	0	116
58	S	28.2	Very low	28.5	Very low	72 Å²	72	116.1 Å²	116.1	50%	0.503	64%	0.637	S	S	.	*	S	Bend	trans	-130.1	-1	-173.8	44.3	0	0	0	0	117
59	A	26.2	Very low	27.4	Very low	50 Å²	50	116.4 Å²	116.4	41%	0.413	65%	0.653	S	S	.	*	S	Bend	trans	-90.9	-11.1	-174.9	0	0	0	0	0	115.7	S61	A59-S61 PolarHBondContact O-N 3.27Å
60	V	23.1	Very low	27.1	Very low	117 Å²	117	117.7 Å²	117.7	71%	0.709	67%	0.667	S	S	*	*			trans	-101.3	75.8	-176.7	-164.5	0	0	0	0	110.8	R489	V60-R489 PolarHBondContact O-NH2 3.04Å
61	S	27.4	Very low	26.4	Very low	65 Å²	65	117.5 Å²	117.5	46%	0.455	67%	0.674	S	S	.	*	S	Bend	trans	-127.6	113.4	157.6	66.4	0	0	0	0	108.5	A59	A59-S61 PolarHBondContact O-N 3.27Å
62	S	28.5	Very low	26.1	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	70%	0.7	S	S	*	*			trans	61.8	84.8	166.6	61.3	0	0	0	0	117
63	S	24.7	Very low	25.5	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	71%	0.707	S	S	*	*			trans	-73.9	123	152.2	49.4	0	0	0	0	109.9
64	S	21.6	Very low	25.2	Very low	105 Å²	105	125.8 Å²	125.8	73%	0.734	71%	0.709	S	S	*	*			trans	-103.1	102	170.4	53.3	0	0	0	0	109.6
65	Y	21	Very low	25.1	Very low	218 Å²	218	128.1 Å²	128.1	86%	0.855	72%	0.716	S	S	*	*			trans	-151.4	107.2	159.1	-86.8	-75	0	0	0	108.4
66	F	23.2	Very low	24.8	Very low	219 Å²	219	132.5 Å²	132.5	96%	0.961	74%	0.739	S	S	*	*			trans	-159.5	97.1	146.4	-101.2	-70.9	0	0	0	108.4
67	E	22.7	Very low	24.6	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	74%	0.735	S	S	*	*			trans	-85.1	124.3	156.2	-81.4	-174.3	148.2	0	0	108.8
68	N	23.6	Very low	24.5	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	74%	0.741	S	S	*	*			trans	55.8	101.7	142.7	-62.4	-30.5	0	0	0	121.4
69	G	22.4	Very low	24.3	Very low	75 Å²	75	133.8 Å²	133.8	77%	0.773	75%	0.752	S	S	*	*				117	157.7	123.3	0	0	0	0	0	117.6
70	P	28.5	Very low	24.1	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	77%	0.772	S	S	*	*			cis	-120.9	152.4	-27.1	36.5	-21	0	0	0	113.8
71	V	20.9	Very low	24.3	Very low	117 Å²	117	137.1 Å²	137.1	71%	0.709	78%	0.778	S	S	*	*			trans	0.8	115.2	146.7	-174.1	0	0	0	0	117.1	K73	V71-K73 HydrophobicContact CG1-CB 4.27Å; V71-K73 HydrophobicContact CG1-CD 4.47Å; V71-K73 HydrophobicContact CG1-CG 4.01Å
72	F	26.1	Very low	24	Very low	217 Å²	217	142.9 Å²	142.9	95%	0.952	80%	0.798	S	S	*	*			trans	-113.5	116.4	141.5	-101.2	-86.1	0	0	0	109.6
73	K	21	Very low	23.9	Very low	165 Å²	165	145.2 Å²	145.2	72%	0.717	80%	0.802	S	S	*	*			trans	-90	151.5	178.7	-109.4	178.3	176.7	177.8	0	109.9	V71	V71-K73 HydrophobicContact CG1-CB 4.27Å; V71-K73 HydrophobicContact CG1-CD 4.47Å; V71-K73 HydrophobicContact CG1-CG 4.01Å
74	N	23.7	Very low	23.9	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	80%	0.799	S	S	*	*			trans	79.4	119.7	151	-60.3	-13.6	0	0	0	118.9
75	I	28.7	Very low	24.2	Very low	160 Å²	160	149 Å²	149	82%	0.821	80%	0.803	S	S	*	*				178.5	98.9	114.2	-81	149.6	0	0	0	105.2
76	L	24.6	Very low	24.5	Very low	142 Å²	142	146.4 Å²	146.4	74%	0.743	80%	0.804	S	S	*	*				58.1	109.4	94.9	-79.8	164.8	0	0	0	115.1
77	T	22.2	Very low	24.7	Very low	112 Å²	112	144.3 Å²	144.3	69%	0.687	80%	0.797	S	S	*	*				34.5	127.3	127.2	61.1	0	0	0	0	117.7
78	T	25.7	Very low	24.9	Very low	124 Å²	124	143 Å²	143	76%	0.761	80%	0.795	S	S	*	*				-178.7	151.6	64	33.8	0	0	0	0	111.7
79	S	25	Very low	25.2	Very low	106 Å²	106	144 Å²	144	74%	0.741	80%	0.801	S	S	*	*			trans	57.5	107	144.7	62.2	0	0	0	0	121.5
80	A	22.5	Very low	25.6	Very low	99 Å²	99	147.6 Å²	147.6	82%	0.818	80%	0.799	S	S	*	*			trans	-8.3	124.1	139.5	0	0	0	0	0	117.6
81	T	25.3	Very low	25.7	Very low	138 Å²	138	147.3 Å²	147.3	85%	0.847	80%	0.801	S	S	*	*			trans	-154.8	123.5	135	12.1	0	0	0	0	108	N83	T81-N83 PolarHBondContact O-N 2.95Å
82	E	22.2	Very low	26	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	81%	0.806	S	S	*	*			trans	-61.1	124	173.4	-67	167.9	145.9	0	0	109.6
83	N	26.1	Very low	26.3	Very low	160 Å²	160	144.6 Å²	144.6	86%	0.856	78%	0.783	S	S	*	*			trans	-141.3	116.4	150.9	-91	-34.8	0	0	0	107.8	T81 D85	T81-N83 PolarHBondContact O-N 2.95Å; N83-D85 PolarHBondContact O-N 3.01Å
84	I	24.4	Very low	27	Very low	150 Å²	150	139.8 Å²	139.8	77%	0.769	77%	0.771	S	S	*	*			trans	-71.8	113	173.5	-66	160.4	0	0	0	106.3
85	D	27.5	Very low	28	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	78%	0.775	S	S	*	*			trans	-155.1	85	158.6	-84.8	-35.1	0	0	0	107.7	N83 E87	N83-D85 PolarHBondContact O-N 3.01Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 3.19Å; D85-E87 VanDerWaalsContact O-N 3.1Å
86	D	28.8	Very low	29.3	Very low	162 Å²	162	138.3 Å²	138.3	87%	0.866	77%	0.769	S	S	*	*			trans	-74.8	77.8	171.5	-81.1	-39.6	0	0	0	110
87	E	26.7	Very low	31.2	Very low	175 Å²	175	134.7 Å²	134.7	82%	0.818	75%	0.75	S	S	*	*			trans	-138.5	126.2	163.3	-75.7	-167.4	166.3	0	0	111.2	D85	D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 3.19Å; D85-E87 VanDerWaalsContact O-N 3.1Å
88	N	27.9	Very low	34	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	73%	0.732	S	S	*	*			trans	90.8	68.7	174.5	-55.3	-45.7	0	0	0	118.5
89	N	28.4	Very low	36.9	Very low	180 Å²	180	129.1 Å²	129.1	96%	0.963	71%	0.705	S	S	*	*			trans	-109.5	67.2	148.4	-90.1	-21.4	0	0	0	110.4
90	M	31	Very low	40.1	Very low	149 Å²	149	124.4 Å²	124.4	73%	0.734	67%	0.671	S	S	*	*			trans	-114.9	95.5	160	-101.2	-164.4	92	0	0	107.5
91	S	31.8	Very low	43.5	Very low	115 Å²	115	120.8 Å²	120.8	80%	0.804	64%	0.639	S	S	*	*	S	Bend	trans	172.7	-8.1	147.9	39.8	0	0	0	0	116.6
92	N	27.4	Very low	46.8	Very low	154 Å²	154	118.4 Å²	118.4	82%	0.824	62%	0.618	S	S	*	*			trans	-124.4	77.5	178	-76.5	-17.9	0	0	0	111.9	S94	N92-S94 VanDerWaalsContact C-N 3.33Å; N92-S94 PolarHBondContact O-N 3.21Å; N92-S94 VanDerWaalsContact O-N 3.11Å
93	Y	32.1	Very low	50.3	Low	122 Å²	122	110.9 Å²	110.9	48%	0.478	59%	0.585	S	S	.	*			trans	-65.6	103.3	149.5	-125.8	-101.6	0	0	0	105.5	S95 D97 R99 P101	Y93-S95 PolarHBondContact O-N 3.4Å; Y93-D97 VanDerWaalsContact CE1-O 3.23Å; Y93-D97 WeakPolarHBondContact CE1-O 3.24Å; Y93-R99 WeakPolarHBondContact CE1-O 3.49Å; Y93-R99 VanDerWaalsContact OH-C 3.23Å; Y93-R99 PolarHBondContact OH-O 3.09Å; Y93-P101 HydrophobicContact CE2-CB 3.98Å; Y93-P101 WeakPolarHBondContact OH-CD 3.29Å; Y93-P101 VanDerWaalsContact OH-N 3.09Å
94	S	35.6	Very low	53.7	Low	65 Å²	65	103.3 Å²	103.3	46%	0.455	55%	0.545	S	S	.	.			trans	-61.6	137.5	168.8	61.8	0	0	0	0	106.7	N92 E96 D97	N92-S94 VanDerWaalsContact C-N 3.33Å; N92-S94 PolarHBondContact O-N 3.21Å; N92-S94 VanDerWaalsContact O-N 3.11Å; S94-E96 PolarHBondContact O-N 2.96Å; S94-D97 PolarHBondContact O-N 3.37Å; S94-D97 VanDerWaalsContact O-N 3.11Å
95	S	45.2	Very low	57.2	Low	116 Å²	116	99 Å²	99	81%	0.811	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	1.3	177.5	54.9	0	0	0	0	114.1	Y93	Y93-S95 PolarHBondContact O-N 3.4Å
96	E	54.1	Low	60.5	Low	148 Å²	148	91.9 Å²	91.9	69%	0.692	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-15.2	179.6	-64.2	-174.7	167.8	0	0	113.5	S94	S94-E96 PolarHBondContact O-N 2.96Å
97	D	66.2	Low	63.8	Low	66 Å²	66	87.4 Å²	87.4	35%	0.353	46%	0.456	S	S	.	.			trans	-91.2	104.7	174.6	-165.5	-5.8	0	0	0	110.1	Y93 S94 R99	Y93-D97 VanDerWaalsContact CE1-O 3.23Å; Y93-D97 WeakPolarHBondContact CE1-O 3.24Å; S94-D97 PolarHBondContact O-N 3.37Å; S94-D97 VanDerWaalsContact O-N 3.11Å; D97-R99 VanDerWaalsContact C-N 3.27Å; D97-R99 PolarHBondContact O-N 2.67Å; D97-R99 VanDerWaalsContact OD1-CB 3.32Å; D97-R99 WeakPolarHBondContact OD1-CB 3.48Å; D97-R99 VanDerWaalsContact OD1-CG 3.25Å; D97-R99 WeakPolarHBondContact OD1-CG 3.31Å; D97-R99 PolarHBondContact OD1-N 2.9Å; D97-R99 VanDerWaalsContact OD1-N 3.1Å
98	F	79.3	Confident	67.3	Low	66 Å²	66	81.9 Å²	81.9	29%	0.289	43%	0.43	S	S	.	.			trans	-84.9	3.8	-180	-63.1	-73.5	0	0	0	113.6	D184 A185 N482 T483	F98-D184 HydrophobicContact CE1-CB 3.99Å; F98-A185 HydrophobicContact CD1-CB 4.05Å; F98-N482 HydrophobicContact CD2-CB 4.47Å; F98-T483 HydrophobicContact CD2-CG2 4.26Å; F98-T483 HydrophobicContact CE2-CG2 4.01Å
99	R	87.9	Confident	70.6	Confident	53 Å²	53	74.9 Å²	74.9	20%	0.2	39%	0.392	C	S	.	.	S	Bend	trans	-69.8	164.7	177.6	-64.9	-168.7	67.5	170.3	-1.3	111.4	Y93 D97 E253 E255 W425	Y93-R99 WeakPolarHBondContact CE1-O 3.49Å; Y93-R99 VanDerWaalsContact OH-C 3.23Å; Y93-R99 PolarHBondContact OH-O 3.09Å; D97-R99 VanDerWaalsContact C-N 3.27Å; D97-R99 PolarHBondContact O-N 2.67Å; D97-R99 VanDerWaalsContact OD1-CB 3.32Å; D97-R99 WeakPolarHBondContact OD1-CB 3.48Å; D97-R99 VanDerWaalsContact OD1-CG 3.25Å; D97-R99 WeakPolarHBondContact OD1-CG 3.31Å; D97-R99 PolarHBondContact OD1-N 2.9Å; D97-R99 VanDerWaalsContact OD1-N 3.1Å; R99-E253 VanDerWaalsContact CA-OE1 3.29Å; R99-E253 WeakPolarHBondContact CA-OE1 3.22Å; R99-E253 IonicContact NE-OE2 3.29Å; R99-E253 IonicContact NH2-OE2 3.32Å; R99-E255 IonicContact CZ-OE1 2.88Å; R99-E255 IonicContact NH2-OE1 3.66Å; R99-E255 PolarHBondContact NH2-OE1 3.01Å; R99-E255 IonicContact NH2-OE2 2.99Å; R99-E255 PolarHBondContact NH2-OE2 2.83Å; R99-W425 HydrophobicContact CG-CH2 4.28Å; R99-W425 HydrophobicContact CG-CZ2 4.22Å
100	L	92.9	Very high	74	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.037	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-85.3	143.8	170.8	-68.7	174.6	0	0	0	111.3	F145 H147 W251 E253 F256	L100-F145 HydrophobicContact CD2-CB 3.61Å; L100-H147 VanDerWaalsContact CD1-CE1 3.43Å; L100-H147 WeakPolarHBondContact CD1-CE1 3.33Å; L100-H147 WeakPolarHBondContact CD1-ND1 3.09Å; L100-H147 VanDerWaalsContact CG-CE1 3.41Å; L100-H147 WeakPolarHBondContact CG-CE1 3.31Å; L100-W251 HydrophobicContact CD1-CB 3.93Å; L100-W251 HydrophobicContact CD1-CG 3.79Å; L100-E253 WeakPolarHBondContact CG-OE1 3.36Å; L100-E253 PolarHBondContact N-OE1 2.65Å; L100-F256 HydrophobicContact CB-CE2 3.94Å; L100-F256 HydrophobicContact CB-CZ 3.88Å; L100-F256 HydrophobicContact CD1-CE2 4.44Å
101	P	93.2	Very high	77.2	Confident	23 Å²	23	62.2 Å²	62.2	15%	0.149	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-69.3	147.7	177	27.7	-34	0	0	0	111.4	Y93 T103 F145	Y93-P101 HydrophobicContact CE2-CB 3.98Å; Y93-P101 WeakPolarHBondContact OH-CD 3.29Å; Y93-P101 VanDerWaalsContact OH-N 3.09Å; P101-T103 HydrophobicContact CB-CG2 4.12Å; P101-T103 PolarHBondContact O-N 3.28Å; P101-F145 HydrophobicContact CG-CD2 3.86Å
102	H	93.9	Very high	80.4	Confident	87 Å²	87	58.2 Å²	58.2	40%	0.403	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	30.2	173.6	-63.5	148.5	0	0	0	113.9	F105 N138 E255 F256	H102-F105 HydrophobicContact CB-CE2 4.13Å; H102-F105 HydrophobicContact CB-CZ 3.7Å; H102-F105 AromaticContact CD2-CZ 3.98Å; H102-F105 AromaticContact CG-CZ 3.99Å; H102-F105 VanDerWaalsContact O-CE2 3.27Å; H102-F105 WeakPolarHBondContact O-CE2 3.15Å; H102-N138 PolarHBondContact O-ND2 2.84Å; H102-E255 IonicContact CD2-OE1 3.71Å; H102-E255 IonicContact CE1-OE1 3.02Å; H102-E255 IonicContact NE2-OE1 3.58Å; H102-E255 PolarHBondContact NE2-OE1 3.03Å; H102-E255 IonicContact NE2-OE2 2.94Å; H102-F256 AromaticContact CD2-CZ 3.85Å
103	T	96.4	Very high	83.8	Confident	29 Å²	29	50.9 Å²	50.9	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-38.4	177.4	52.5	0	0	0	0	111.6	P101 N138 V139	P101-T103 HydrophobicContact CB-CG2 4.12Å; P101-T103 PolarHBondContact O-N 3.28Å; T103-N138 PolarHBondContact O-N 2.69Å; T103-V139 HydrophobicContact CG2-CB 4.43Å
104	L	97	Very high	86.9	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.5	-178.1	-76.1	161.5	0	0	0	110.9	V135 F136 C137 T141 I144 L196 W251	L104-V135 HydrophobicContact CD2-CB 4.23Å; L104-V135 HydrophobicContact CD2-CG2 4.01Å; L104-F136 WeakPolarHBondContact CA-O 3.4Å; L104-C137 HydrophobicContact CD2-CB 3.87Å; L104-T141 HydrophobicContact CD1-CG2 4.4Å; L104-I144 HydrophobicContact CD1-CB 4.01Å; L104-I144 HydrophobicContact CD1-CD1 4.13Å; L104-I144 HydrophobicContact CD1-CG1 3.63Å; L104-I144 HydrophobicContact CD1-CG2 3.71Å; L104-L196 HydrophobicContact CD1-CD1 4.05Å; L104-L196 HydrophobicContact CD2-CD1 3.87Å; L104-L196 HydrophobicContact CG-CD1 4.46Å; L104-W251 HydrophobicContact CB-CZ2 3.75Å; L104-W251 HydrophobicContact CD1-CZ2 4.41Å; L104-W251 PolarHBondContact O-NE1 2.71Å
105	F	97.5	Very high	89.9	Confident	60 Å²	60	43 Å²	43	26%	0.263	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.6	177.6	-69.1	-89.9	0	0	0	110.9	H102 H107 V135 F136 N138 F256	H102-F105 HydrophobicContact CB-CE2 4.13Å; H102-F105 HydrophobicContact CB-CZ 3.7Å; H102-F105 AromaticContact CD2-CZ 3.98Å; H102-F105 AromaticContact CG-CZ 3.99Å; H102-F105 VanDerWaalsContact O-CE2 3.27Å; H102-F105 WeakPolarHBondContact O-CE2 3.15Å; F105-H107 PolarHBondContact O-ND1 2.67Å; F105-V135 WeakPolarHBondContact O-CA 3.46Å; F105-F136 PolarHBondContact N-O 3.37Å; F105-F136 PolarHBondContact O-N 2.88Å; F105-N138 HydrophobicContact CD2-CB 4.12Å; F105-N138 HydrophobicContact CE2-CB 4Å; F105-F256 AromaticContact CD1-CD1 3.72Å; F105-F256 HydrophobicContact CD1-CD1 3.72Å; F105-F256 AromaticContact CD1-CE1 3.82Å; F105-F256 HydrophobicContact CD1-CE1 3.82Å; F105-F256 HydrophobicContact CE1-CD1 4.13Å; F105-F256 AromaticContact CE1-CE1 3.85Å; F105-F256 HydrophobicContact CE1-CE1 3.85Å
106	P	98.2	Very high	92.3	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140.7	172.5	34.6	-38	0	0	0	109.5	Y109 I133 W251 F256 A258	P106-Y109 HydrophobicContact CB-CE2 3.7Å; P106-Y109 WeakPolarHBondContact CB-OH 3.38Å; P106-Y109 HydrophobicContact CG-CE2 4.25Å; P106-I133 HydrophobicContact CB-CG2 4.02Å; P106-W251 HydrophobicContact CB-CD2 4.36Å; P106-W251 HydrophobicContact CB-CE3 4.01Å; P106-W251 HydrophobicContact CG-CB 3.91Å; P106-W251 HydrophobicContact CG-CD2 4.21Å; P106-W251 HydrophobicContact CG-CE3 4.31Å; P106-W251 HydrophobicContact CG-CG 4.02Å; P106-F256 HydrophobicContact CG-CB 3.81Å; P106-A258 HydrophobicContact CB-CB 4.19Å; P106-A258 HydrophobicContact CG-CB 4.38Å
107	H	97.7	Very high	94.1	Very high	68 Å²	68	31.9 Å²	31.9	32%	0.315	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-32.9	177.5	-81.4	67	0	0	0	111.8	F105 K134 F136 Y201 K259	F105-H107 PolarHBondContact O-ND1 2.67Å; H107-K134 HydrophobicContact CB-CG 4.47Å; H107-K134 PolarHBondContact N-O 2.89Å; H107-F136 WeakPolarHBondContact CE1-CB 3.3Å; H107-F136 AromaticContact CE1-CG 3.96Å; H107-F136 WeakPolarHBondContact ND1-CB 3.38Å; H107-Y201 HydrophobicContact CB-CE1 4.35Å; H107-Y201 AromaticContact CD2-CE1 3.82Å; H107-Y201 AromaticContact CG-CE1 3.79Å; H107-K259 PolarHBondContact O-N 2.98Å; H107-K259 VanDerWaalsContact O-N 3.14Å
108	F	98.7	Very high	94.5	Very high	60 Å²	60	31.6 Å²	31.6	26%	0.263	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.1	-177.6	-174	-88.5	0	0	0	110.8	D110 I133 K134 K259 K261 T295	F108-D110 HydrophobicContact CE1-CB 4.02Å; F108-I133 CarbonylContact O-C 3.51Å; F108-I133 WeakPolarHBondContact O-CA 3.28Å; F108-K134 HydrophobicContact CB-CB 3.9Å; F108-K134 PolarHBondContact N-O 2.95Å; F108-K134 PolarHBondContact O-N 3.49Å; F108-K259 CarbonylContact C-O 3.58Å; F108-K259 VanDerWaalsContact CA-O 3.28Å; F108-K259 WeakPolarHBondContact CA-O 3.42Å; F108-K259 HydrophobicContact CD2-CB 3.86Å; F108-K259 HydrophobicContact CE2-CB 4.46Å; F108-K261 HydrophobicContact CE1-CB 3.98Å; F108-K261 HydrophobicContact CE2-CB 4.36Å; F108-K261 HydrophobicContact CZ-CB 3.51Å; F108-K261 HydrophobicContact CZ-CG 4.44Å; F108-T295 HydrophobicContact CD2-CG2 4.34Å; F108-T295 HydrophobicContact CE2-CG2 3.61Å
109	Y	98.9	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.9	171.8	-68	-93.7	0	0	0	109.1	P106 V131 I133 F248 C250 W251 A258 K259 F260 K261	P106-Y109 HydrophobicContact CB-CE2 3.7Å; P106-Y109 WeakPolarHBondContact CB-OH 3.38Å; P106-Y109 HydrophobicContact CG-CE2 4.25Å; Y109-V131 HydrophobicContact CD1-CG2 3.89Å; Y109-I133 HydrophobicContact CD1-CB 4.33Å; Y109-I133 HydrophobicContact CD1-CD1 4.09Å; Y109-I133 HydrophobicContact CD1-CG1 3.69Å; Y109-I133 HydrophobicContact CD1-CG2 3.92Å; Y109-I133 HydrophobicContact CE1-CB 4.35Å; Y109-I133 HydrophobicContact CE1-CD1 3.65Å; Y109-I133 HydrophobicContact CE1-CG1 3.75Å; Y109-I133 HydrophobicContact CE1-CG2 3.7Å; Y109-I133 HydrophobicContact CG-CG2 4.43Å; Y109-F248 HydrophobicContact CD1-CD2 4.44Å; Y109-F248 AromaticContact CD1-CE2 3.97Å; Y109-F248 HydrophobicContact CD1-CE2 3.97Å; Y109-F248 HydrophobicContact CE1-CE2 4.04Å; Y109-C250 HydrophobicContact CE1-CB 3.66Å; Y109-W251 PolarHBondContact OH-N 2.92Å; Y109-W251 VanDerWaalsContact OH-N 3.08Å; Y109-A258 HydrophobicContact CD2-CB 3.57Å; Y109-A258 HydrophobicContact CE2-CB 3.45Å; Y109-A258 VanDerWaalsContact CE2-CB 3.45Å; Y109-K259 PolarHBondContact N-O 3.47Å; Y109-F260 HydrophobicContact CD1-CE1 4.29Å; Y109-F260 AromaticContact CD2-CD1 3.93Å; Y109-F260 HydrophobicContact CD2-CD1 3.93Å; Y109-F260 AromaticContact CD2-CE1 3.37Å; Y109-F260 HydrophobicContact CD2-CE1 3.37Å; Y109-F260 HydrophobicContact CD2-CE2 4.12Å; Y109-F260 AromaticContact CD2-CZ 3.48Å; Y109-F260 HydrophobicContact CD2-CZ 3.48Å; Y109-F260 VanDerWaalsContact CD2-CZ 3.48Å; Y109-F260 AromaticContact CE2-CE1 3.98Å; Y109-F260 HydrophobicContact CE2-CE1 3.98Å; Y109-F260 AromaticContact CE2-CZ 3.76Å; Y109-F260 HydrophobicContact CE2-CZ 3.76Å; Y109-F260 AromaticContact CG-CD1 3.92Å; Y109-F260 HydrophobicContact CG-CD1 3.92Å; Y109-F260 AromaticContact CG-CE1 3.56Å; Y109-F260 HydrophobicContact CG-CE1 3.56Å; Y109-F260 HydrophobicContact CG-CZ 4.17Å; Y109-F260 CarbonylContact O-C 3.59Å; Y109-F260 WeakPolarHBondContact O-CA 3.44Å; Y109-K261 PolarHBondContact O-N 3.43Å
110	D	98.8	Very high	92.6	Very high	63 Å²	63	36.1 Å²	36.1	34%	0.337	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	95.5	163.8	-166.3	-10.9	0	0	0	108.1	F108 V131 T132 N263	F108-D110 HydrophobicContact CE1-CB 4.02Å; D110-V131 VanDerWaalsContact O-CA 3.31Å; D110-V131 WeakPolarHBondContact O-CA 3.26Å; D110-T132 PolarHBondContact N-O 2.58Å; D110-T132 PolarHBondContact O-N 3.28Å; D110-N263 PolarHBondContact OD1-ND2 3.38Å
111	L	98.9	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.8	-170.4	178.1	64.3	0	0	0	110.1	I113 V131 F209 F248 K261 V262 N263 L304	L111-I113 HydrophobicContact CD1-CD1 3.96Å; L111-I113 HydrophobicContact CD1-CG1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.32Å; L111-I113 HydrophobicContact CG-CD1 4.43Å; L111-I113 HydrophobicContact CG-CG1 4.06Å; L111-V131 HydrophobicContact CB-CG2 4.27Å; L111-V131 HydrophobicContact CD1-CB 3.89Å; L111-V131 HydrophobicContact CD1-CG2 4.06Å; L111-F209 HydrophobicContact CD1-CZ 4Å; L111-F248 HydrophobicContact CD1-CB 3.82Å; L111-F248 HydrophobicContact CD1-CD1 4.18Å; L111-F248 HydrophobicContact CD1-CD2 4.23Å; L111-F248 HydrophobicContact CD1-CG 3.82Å; L111-F248 HydrophobicContact CD2-CD1 3.88Å; L111-F248 HydrophobicContact CD2-CE1 3.96Å; L111-F248 HydrophobicContact CD2-CG 4.26Å; L111-F248 HydrophobicContact CD2-CZ 4.33Å; L111-K261 PolarHBondContact N-O 2.8Å; L111-V262 WeakPolarHBondContact O-CA 3.28Å; L111-N263 PolarHBondContact O-N 2.81Å; L111-L304 HydrophobicContact CD2-CD2 3.66Å
112	S	98.8	Very high	89.1	Confident	30 Å²	30	46.8 Å²	46.8	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	171.8	-60.5	0	0	0	0	110.5	G129 S130 N263	S112-G129 CarbonylContact O-C 3.59Å; S112-G129 WeakPolarHBondContact O-CA 3.39Å; S112-S130 PolarHBondContact N-O 3.49Å; S112-S130 PolarHBondContact O-N 2.96Å; S112-N263 CarbonylContact C-O 3.57Å; S112-N263 WeakPolarHBondContact CA-O 3.34Å; S112-N263 WeakPolarHBondContact OG-CB 3.46Å
113	I	98.7	Very high	87.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.2	178.8	-61.5	-66.7	0	0	0	109.1	L111 V115 F127 N128 F209 L220 V247 N263 I264 I265 I306	L111-I113 HydrophobicContact CD1-CD1 3.96Å; L111-I113 HydrophobicContact CD1-CG1 4.14Å; L111-I113 HydrophobicContact CD2-CG1 4.32Å; L111-I113 HydrophobicContact CG-CD1 4.43Å; L111-I113 HydrophobicContact CG-CG1 4.06Å; I113-V115 HydrophobicContact CG2-CG2 3.86Å; I113-F127 HydrophobicContact CD1-CD2 4.26Å; I113-F127 HydrophobicContact CD1-CE2 4.49Å; I113-F127 HydrophobicContact CG2-CB 4.28Å; I113-F127 HydrophobicContact CG2-CD2 4.3Å; I113-N128 CarbonylContact C-O 3.41Å; I113-N128 WeakPolarHBondContact CA-O 3.32Å; I113-F209 HydrophobicContact CD1-CE2 3.6Å; I113-F209 HydrophobicContact CD1-CZ 3.81Å; I113-L220 HydrophobicContact CG2-CD2 4.16Å; I113-V247 HydrophobicContact CD1-CG1 4.3Å; I113-N263 PolarHBondContact N-O 2.8Å; I113-I264 CarbonylContact O-C 3.51Å; I113-I264 WeakPolarHBondContact O-CA 3.45Å; I113-I265 PolarHBondContact O-N 2.62Å; I113-I306 HydrophobicContact CB-CD1 4.42Å; I113-I306 HydrophobicContact CG1-CD1 3.98Å
114	Q	98.1	Very high	86.5	Confident	19 Å²	19	50.3 Å²	50.3	9%	0.089	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.1	166.7	-174.6	172	5.2	0	0	109.8	H116 F127 N128 I265 W288	Q114-H116 VanDerWaalsContact CD-CE1 3.46Å; Q114-H116 WeakPolarHBondContact CG-NE2 3.29Å; Q114-H116 PolarHBondContact NE2-CE1 3.37Å; Q114-F127 WeakPolarHBondContact O-CA 3.37Å; Q114-F127 WeakPolarHBondContact O-CB 3.48Å; Q114-N128 VanDerWaalsContact CB-OD1 3.32Å; Q114-N128 WeakPolarHBondContact CB-OD1 3.46Å; Q114-N128 PolarHBondContact N-O 3.48Å; Q114-N128 PolarHBondContact O-N 2.66Å; Q114-I265 WeakPolarHBondContact CA-O 3.26Å; Q114-I265 HydrophobicContact CB-CB 3.84Å; Q114-I265 HydrophobicContact CB-CD1 4.43Å; Q114-I265 HydrophobicContact CB-CG2 4.29Å; Q114-I265 HydrophobicContact CG-CB 3.8Å; Q114-I265 HydrophobicContact CG-CG2 3.72Å; Q114-W288 HydrophobicContact CG-CE3 4.25Å; Q114-W288 HydrophobicContact CG-CH2 4.16Å; Q114-W288 HydrophobicContact CG-CZ3 3.72Å
115	V	97.8	Very high	86.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	-178.9	-172.6	0	0	0	0	109.8	I113 L117 L213 L220 A235 I265 W288 V308	I113-V115 HydrophobicContact CG2-CG2 3.86Å; V115-L117 HydrophobicContact CG1-CD1 4.48Å; V115-L117 HydrophobicContact CG1-CD2 4.41Å; V115-L117 HydrophobicContact CG1-CG 4.02Å; V115-L213 HydrophobicContact CG1-CD1 4.03Å; V115-L220 HydrophobicContact CG2-CD2 4.18Å; V115-A235 HydrophobicContact CG1-CB 3.7Å; V115-I265 PolarHBondContact N-O 2.97Å; V115-W288 WeakPolarHBondContact O-CH2 3.23Å; V115-W288 WeakPolarHBondContact O-CZ3 3.23Å; V115-V308 HydrophobicContact CB-CG2 4.1Å; V115-V308 HydrophobicContact CG1-CB 4.42Å; V115-V308 HydrophobicContact CG1-CG2 4.43Å; V115-V308 HydrophobicContact CG2-CG2 3.77Å
116	H	95.3	Very high	86.2	Confident	19 Å²	19	50.7 Å²	50.7	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	89.7	-178.5	-60.8	-91.3	0	0	0	110.6	Q114 F126 N128 W288	Q114-H116 VanDerWaalsContact CD-CE1 3.46Å; Q114-H116 WeakPolarHBondContact CG-NE2 3.29Å; Q114-H116 PolarHBondContact NE2-CE1 3.37Å; H116-F126 HydrophobicContact CB-CD1 3.75Å; H116-F126 HydrophobicContact CB-CE1 3.55Å; H116-F126 HydrophobicContact CB-CE2 4.44Å; H116-F126 HydrophobicContact CB-CG 4.29Å; H116-F126 HydrophobicContact CB-CZ 3.93Å; H116-F126 WeakPolarHBondContact CB-O 3.5Å; H116-F126 AromaticContact CD2-CD2 3.67Å; H116-F126 AromaticContact CD2-CE1 3.88Å; H116-F126 AromaticContact CD2-CE2 3.21Å; H116-F126 WeakPolarHBondContact CD2-CE2 3.5Å; H116-F126 AromaticContact CD2-CZ 3.34Å; H116-F126 WeakPolarHBondContact CD2-CZ 3.36Å; H116-F126 AromaticContact CE1-CZ 3.82Å; H116-F126 AromaticContact CG-CE1 3.57Å; H116-F126 AromaticContact CG-CE2 3.78Å; H116-F126 AromaticContact CG-CZ 3.39Å; H116-F126 PolarHBondContact N-O 2.85Å; H116-F126 AromaticContact ND1-CZ 3.73Å; H116-F126 AromaticContact NE2-CE2 3.49Å; H116-F126 WeakPolarHBondContact NE2-CE2 3.38Å; H116-F126 AromaticContact NE2-CZ 3.61Å; H116-N128 PolarHBondContact NE2-ND2 3.42Å; H116-W288 AromaticContact CE1-CH2 3.96Å; H116-W288 AromaticContact ND1-CH2 3.51Å; H116-W288 AromaticContact ND1-CZ2 3.77Å
117	L	92.5	Very high	86.2	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.068	27%	0.269	C	S	.	.			trans	-100.1	111.3	168.5	-60.1	178.1	0	0	0	108.9	V115 F125 L213 L222 A235 F270 V308	V115-L117 HydrophobicContact CG1-CD1 4.48Å; V115-L117 HydrophobicContact CG1-CD2 4.41Å; V115-L117 HydrophobicContact CG1-CG 4.02Å; L117-F125 HydrophobicContact CD2-CD1 4.03Å; L117-F125 HydrophobicContact CD2-CE1 4.45Å; L117-L213 HydrophobicContact CD2-CD1 4.03Å; L117-L222 HydrophobicContact CD2-CD1 3.76Å; L117-A235 HydrophobicContact CD1-CB 4.44Å; L117-A235 HydrophobicContact CD2-CB 4.46Å; L117-F270 HydrophobicContact CB-CE1 4.22Å; L117-F270 HydrophobicContact CB-CE2 3.98Å; L117-F270 HydrophobicContact CB-CZ 3.67Å; L117-F270 HydrophobicContact CD1-CD1 3.96Å; L117-F270 HydrophobicContact CD1-CE1 3.59Å; L117-F270 HydrophobicContact CD1-CZ 3.95Å; L117-F270 HydrophobicContact CG-CZ 4.48Å; L117-V308 HydrophobicContact CD1-CB 4.48Å; L117-V308 HydrophobicContact CD1-CG1 4.11Å
118	H	74.1	Confident	86.2	Confident	59 Å²	59	49.5 Å²	49.5	27%	0.273	27%	0.265	S	S	.	.			trans	-94.9	138.9	179.1	-57.7	-61.4	0	0	0	111.8	N120	H118-N120 PolarHBondContact O-N 3.21Å
119	D	67.5	Low	86.2	Confident	94 Å²	94	47.1 Å²	47.1	50%	0.503	26%	0.257	S	S	.	.	S	Bend	trans	-67.4	118.6	175.8	-67.2	-34.6	0	0	0	110.9	K121 R310	D119-K121 PolarHBondContact O-N 3.47Å; D119-R310 IonicContact OD1-CZ 3.2Å; D119-R310 IonicContact OD1-NH1 3.59Å; D119-R310 IonicContact OD1-NH2 2.75Å; D119-R310 PolarHBondContact OD1-NH2 2.78Å
120	N	60.3	Low	86.2	Confident	121 Å²	121	49 Å²	49	65%	0.647	27%	0.271	S	S	*	.	S	Bend	trans	53	5.4	169	-71.6	-23.5	0	0	0	117.7	H118	H118-N120 PolarHBondContact O-N 3.21Å
121	K	58	Low	86.2	Confident	137 Å²	137	46 Å²	46	60%	0.596	26%	0.255	S	S	*	.			trans	-107.9	110.7	175.4	-68.9	-179.7	-177.5	176.4	0	107.3	D119 Q123	D119-K121 PolarHBondContact O-N 3.47Å; K121-Q123 HydrophobicContact CB-CG 4.48Å; K121-Q123 PolarHBondContact O-N 3.26Å
122	S	54.2	Low	86.2	Confident	116 Å²	116	47.9 Å²	47.9	81%	0.811	27%	0.266	S	S	*	.			trans	-65.6	26.3	169.7	65.5	0	0	0	0	113.5	A124	S122-A124 PolarHBondContact O-N 2.64Å
123	Q	58.7	Low	86.2	Confident	126 Å²	126	46.5 Å²	46.5	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	-59.1	133.2	159.5	-71.9	-178.6	-17.4	0	0	106.1	K121 F125	K121-Q123 HydrophobicContact CB-CG 4.48Å; K121-Q123 PolarHBondContact O-N 3.26Å; Q123-F125 PolarHBondContact O-N 2.97Å; Q123-F125 VanDerWaalsContact O-N 3.09Å
124	A	75.8	Confident	86.2	Confident	64 Å²	64	50.1 Å²	50.1	53%	0.529	27%	0.272	S	S	.	.			trans	-41.2	117.3	-168.5	0	0	0	0	0	111	S122 F126	S122-A124 PolarHBondContact O-N 2.64Å; A124-F126 WeakPolarHBondContact O-CD1 3.49Å
125	F	93.8	Very high	86.2	Confident	19 Å²	19	49.2 Å²	49.2	8%	0.083	27%	0.268	C	S	.	.			trans	-68	133.3	169.3	-65.2	-67.9	0	0	0	107.3	L117 Q123 L213 L222 Y233	L117-F125 HydrophobicContact CD2-CD1 4.03Å; L117-F125 HydrophobicContact CD2-CE1 4.45Å; Q123-F125 PolarHBondContact O-N 2.97Å; Q123-F125 VanDerWaalsContact O-N 3.09Å; F125-L213 HydrophobicContact CB-CB 3.89Å; F125-L213 HydrophobicContact CB-CD1 4.12Å; F125-L213 HydrophobicContact CB-CG 4.48Å; F125-L213 PolarHBondContact O-N 3.44Å; F125-L222 HydrophobicContact CB-CD1 4.43Å; F125-L222 HydrophobicContact CB-CD2 4.44Å; F125-L222 HydrophobicContact CD2-CD1 4.1Å; F125-L222 HydrophobicContact CD2-CD2 3.33Å; F125-L222 HydrophobicContact CD2-CG 4.39Å; F125-L222 HydrophobicContact CE2-CD1 4.43Å; F125-L222 HydrophobicContact CE2-CD2 3.73Å; F125-L222 HydrophobicContact CG-CD1 4.13Å; F125-L222 HydrophobicContact CG-CD2 4.09Å; F125-Y233 AromaticContact CE2-CD1 3.93Å; F125-Y233 HydrophobicContact CE2-CD1 3.93Å; F125-Y233 AromaticContact CE2-CE1 3.87Å; F125-Y233 HydrophobicContact CE2-CE1 3.87Å; F125-Y233 HydrophobicContact CE2-CG 4.38Å; F125-Y233 AromaticContact CZ-CD1 3.87Å; F125-Y233 HydrophobicContact CZ-CD1 3.87Å; F125-Y233 AromaticContact CZ-CD2 3.97Å; F125-Y233 HydrophobicContact CZ-CD2 3.97Å; F125-Y233 HydrophobicContact CZ-CE1 4.01Å; F125-Y233 HydrophobicContact CZ-CE2 4.12Å; F125-Y233 AromaticContact CZ-CG 3.84Å; F125-Y233 HydrophobicContact CZ-CG 3.84Å
126	F	95.8	Very high	86.2	Confident	51 Å²	51	51 Å²	51	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	170.8	-176.9	72.3	-79	0	0	0	110.9	H116 A124 S211	H116-F126 HydrophobicContact CB-CD1 3.75Å; H116-F126 HydrophobicContact CB-CE1 3.55Å; H116-F126 HydrophobicContact CB-CE2 4.44Å; H116-F126 HydrophobicContact CB-CG 4.29Å; H116-F126 HydrophobicContact CB-CZ 3.93Å; H116-F126 WeakPolarHBondContact CB-O 3.5Å; H116-F126 AromaticContact CD2-CD2 3.67Å; H116-F126 AromaticContact CD2-CE1 3.88Å; H116-F126 AromaticContact CD2-CE2 3.21Å; H116-F126 WeakPolarHBondContact CD2-CE2 3.5Å; H116-F126 AromaticContact CD2-CZ 3.34Å; H116-F126 WeakPolarHBondContact CD2-CZ 3.36Å; H116-F126 AromaticContact CE1-CZ 3.82Å; H116-F126 AromaticContact CG-CE1 3.57Å; H116-F126 AromaticContact CG-CE2 3.78Å; H116-F126 AromaticContact CG-CZ 3.39Å; H116-F126 PolarHBondContact N-O 2.85Å; H116-F126 AromaticContact ND1-CZ 3.73Å; H116-F126 AromaticContact NE2-CE2 3.49Å; H116-F126 WeakPolarHBondContact NE2-CE2 3.38Å; H116-F126 AromaticContact NE2-CZ 3.61Å; A124-F126 WeakPolarHBondContact O-CD1 3.49Å; F126-S211 WeakPolarHBondContact CA-O 3.25Å; F126-S211 WeakPolarHBondContact CB-O 3.36Å
127	F	97.8	Very high	86.3	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153	165.6	70.8	-86.9	0	0	0	110.1	I113 Q114 L152 F209 C210 S211 L213 L220 V247	I113-F127 HydrophobicContact CD1-CD2 4.26Å; I113-F127 HydrophobicContact CD1-CE2 4.49Å; I113-F127 HydrophobicContact CG2-CB 4.28Å; I113-F127 HydrophobicContact CG2-CD2 4.3Å; Q114-F127 WeakPolarHBondContact O-CA 3.37Å; Q114-F127 WeakPolarHBondContact O-CB 3.48Å; F127-L152 HydrophobicContact CE2-CD1 4.22Å; F127-L152 HydrophobicContact CZ-CD1 4.15Å; F127-F209 HydrophobicContact CE2-CD2 4.33Å; F127-F209 HydrophobicContact CE2-CE2 4.21Å; F127-C210 WeakPolarHBondContact O-CA 3.31Å; F127-C210 PolarHBondContact O-SG 2.8Å; F127-S211 WeakPolarHBondContact CD1-O 3.48Å; F127-S211 PolarHBondContact N-O 2.96Å; F127-S211 PolarHBondContact O-N 2.81Å; F127-L213 HydrophobicContact CD1-CD2 3.66Å; F127-L213 HydrophobicContact CD1-CG 4.3Å; F127-L213 HydrophobicContact CE1-CD2 4.35Å; F127-L220 HydrophobicContact CB-CD2 3.87Å; F127-L220 HydrophobicContact CD1-CB 4.28Å; F127-L220 HydrophobicContact CD1-CD2 3.72Å; F127-L220 HydrophobicContact CD1-CG 4.31Å; F127-L220 HydrophobicContact CD2-CD2 4.25Å; F127-L220 HydrophobicContact CE1-CB 4.08Å; F127-L220 HydrophobicContact CE1-CD2 4.29Å; F127-L220 HydrophobicContact CG-CD2 3.67Å; F127-V247 HydrophobicContact CE2-CG1 4.21Å; F127-V247 VanDerWaalsContact CE2-O 3.29Å; F127-V247 WeakPolarHBondContact CE2-O 3.4Å; F127-V247 HydrophobicContact CZ-CG1 4.33Å
128	N	98.1	Very high	86.5	Confident	44 Å²	44	52.7 Å²	52.7	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.3	167.8	67.4	40.7	0	0	0	109.6	I113 Q114 H116 F209 C210	I113-N128 CarbonylContact C-O 3.41Å; I113-N128 WeakPolarHBondContact CA-O 3.32Å; Q114-N128 VanDerWaalsContact CB-OD1 3.32Å; Q114-N128 WeakPolarHBondContact CB-OD1 3.46Å; Q114-N128 PolarHBondContact N-O 3.48Å; Q114-N128 PolarHBondContact O-N 2.66Å; H116-N128 PolarHBondContact NE2-ND2 3.42Å; N128-F209 CarbonylContact C-O 3.49Å; N128-F209 VanDerWaalsContact CA-O 3.22Å; N128-F209 WeakPolarHBondContact CA-O 3.46Å; N128-F209 WeakPolarHBondContact CB-O 3.37Å; N128-C210 HydrophobicContact CB-CB 4.29Å
129	G	98.6	Very high	87.5	Confident	10 Å²	10	53 Å²	53	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	-179.7	-178.1	0	0	0	0	0	114.4	S112 Q208 F209	S112-G129 CarbonylContact O-C 3.59Å; S112-G129 WeakPolarHBondContact O-CA 3.39Å; G129-Q208 CarbonylContact O-C 3.54Å; G129-Q208 VanDerWaalsContact O-CA 3.31Å; G129-Q208 WeakPolarHBondContact O-CA 3.34Å; G129-F209 VanDerWaalsContact C-CZ 3.49Å; G129-F209 PolarHBondContact N-O 2.83Å; G129-F209 PolarHBondContact O-N 2.79Å
130	S	98.8	Very high	88.9	Confident	40 Å²	40	51 Å²	51	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.6	175.1	63.8	0	0	0	0	109.2	S112 F206 G207	S112-S130 PolarHBondContact N-O 3.49Å; S112-S130 PolarHBondContact O-N 2.96Å; S130-F206 WeakPolarHBondContact CA-O 3.42Å; S130-G207 WeakPolarHBondContact CB-O 3.35Å
131	V	98.8	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.5	175.2	67.8	0	0	0	0	111.6	Y109 D110 L111 I133 T205 F206 F209 F248	Y109-V131 HydrophobicContact CD1-CG2 3.89Å; D110-V131 VanDerWaalsContact O-CA 3.31Å; D110-V131 WeakPolarHBondContact O-CA 3.26Å; L111-V131 HydrophobicContact CB-CG2 4.27Å; L111-V131 HydrophobicContact CD1-CB 3.89Å; L111-V131 HydrophobicContact CD1-CG2 4.06Å; V131-I133 HydrophobicContact CG1-CD1 4.42Å; V131-I133 HydrophobicContact CG1-CG1 4.31Å; V131-I133 HydrophobicContact CG2-CG1 3.98Å; V131-T205 WeakPolarHBondContact O-CA 3.37Å; V131-F206 HydrophobicContact CG1-CB 4.01Å; V131-F206 HydrophobicContact CG1-CD2 3.95Å; V131-F206 HydrophobicContact CG1-CG 4.36Å; V131-F206 PolarHBondContact N-O 2.86Å; V131-F206 PolarHBondContact O-N 2.66Å; V131-F209 HydrophobicContact CB-CE1 4.18Å; V131-F209 HydrophobicContact CG1-CE1 3.97Å; V131-F248 HydrophobicContact CG1-CB 4.47Å; V131-F248 HydrophobicContact CG2-CD2 4.41Å
132	T	98.7	Very high	92.5	Very high	40 Å²	40	42 Å²	42	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.2	168.2	-60.5	0	0	0	0	108.8	D110 N203 T205	D110-T132 PolarHBondContact N-O 2.58Å; D110-T132 PolarHBondContact O-N 3.28Å; T132-N203 HydrophobicContact CG2-CB 4.01Å; T132-T205 WeakPolarHBondContact OG1-CG2 3.13Å; T132-T205 PolarHBondContact OG1-OG1 2.98Å
133	I	98.7	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.4	-175.2	-43.1	172.6	0	0	0	108.4	P106 F108 Y109 V131 V135 N203 L204 F206 W251	P106-I133 HydrophobicContact CB-CG2 4.02Å; F108-I133 CarbonylContact O-C 3.51Å; F108-I133 WeakPolarHBondContact O-CA 3.28Å; Y109-I133 HydrophobicContact CD1-CB 4.33Å; Y109-I133 HydrophobicContact CD1-CD1 4.09Å; Y109-I133 HydrophobicContact CD1-CG1 3.69Å; Y109-I133 HydrophobicContact CD1-CG2 3.92Å; Y109-I133 HydrophobicContact CE1-CB 4.35Å; Y109-I133 HydrophobicContact CE1-CD1 3.65Å; Y109-I133 HydrophobicContact CE1-CG1 3.75Å; Y109-I133 HydrophobicContact CE1-CG2 3.7Å; Y109-I133 HydrophobicContact CG-CG2 4.43Å; V131-I133 HydrophobicContact CG1-CD1 4.42Å; V131-I133 HydrophobicContact CG1-CG1 4.31Å; V131-I133 HydrophobicContact CG2-CG1 3.98Å; I133-V135 HydrophobicContact CB-CG1 4.17Å; I133-V135 HydrophobicContact CG2-CG1 3.67Å; I133-V135 PolarHBondContact O-N 2.84Å; I133-N203 WeakPolarHBondContact O-CA 3.49Å; I133-L204 PolarHBondContact N-O 3Å; I133-L204 PolarHBondContact O-N 2.83Å; I133-F206 HydrophobicContact CD1-CD2 4.25Å; I133-F206 HydrophobicContact CD1-CE2 3.98Å; I133-W251 HydrophobicContact CD1-CE3 4.41Å; I133-W251 HydrophobicContact CD1-CZ3 3.9Å; I133-W251 HydrophobicContact CG2-CE3 4.42Å; I133-W251 HydrophobicContact CG2-CZ3 4.03Å
134	K	98.4	Very high	96.3	Very high	77 Å²	77	32.9 Å²	32.9	34%	0.335	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	114.3	165.8	-177.8	175.4	179	-179.5	0	108.2	H107 F108 L164 Y201 Y202	H107-K134 HydrophobicContact CB-CG 4.47Å; H107-K134 PolarHBondContact N-O 2.89Å; F108-K134 HydrophobicContact CB-CB 3.9Å; F108-K134 PolarHBondContact N-O 2.95Å; F108-K134 PolarHBondContact O-N 3.49Å; K134-L164 HydrophobicContact CD-CD1 3.97Å; K134-L164 HydrophobicContact CG-CD1 3.67Å; K134-Y201 HydrophobicContact CD-CD1 4.31Å; K134-Y201 HydrophobicContact CG-CD1 4.05Å; K134-Y202 CarbonylContact C-O 3.58Å; K134-Y202 WeakPolarHBondContact CA-O 3.44Å
135	V	97.9	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.7	-179.3	-61.1	0	0	0	0	110.6	L104 F105 I133 M161 Y201 Y202 W251	L104-V135 HydrophobicContact CD2-CB 4.23Å; L104-V135 HydrophobicContact CD2-CG2 4.01Å; F105-V135 WeakPolarHBondContact O-CA 3.46Å; I133-V135 HydrophobicContact CB-CG1 4.17Å; I133-V135 HydrophobicContact CG2-CG1 3.67Å; I133-V135 PolarHBondContact O-N 2.84Å; V135-M161 HydrophobicContact CG2-CE 3.92Å; V135-Y201 CarbonylContact O-C 3.56Å; V135-Y201 VanDerWaalsContact O-CA 3.31Å; V135-Y201 WeakPolarHBondContact O-CA 3.42Å; V135-Y202 PolarHBondContact N-O 2.89Å; V135-Y202 PolarHBondContact O-N 2.59Å; V135-W251 HydrophobicContact CG1-CH2 3.5Å; V135-W251 HydrophobicContact CG1-CZ2 4.3Å; V135-W251 HydrophobicContact CG1-CZ3 3.62Å
136	F	97.6	Very high	97.5	Very high	40 Å²	40	31.2 Å²	31.2	18%	0.175	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.6	172	177.1	-105.2	0	0	0	109	L104 F105 H107 N138 N199 Y201	L104-F136 WeakPolarHBondContact CA-O 3.4Å; F105-F136 PolarHBondContact N-O 3.37Å; F105-F136 PolarHBondContact O-N 2.88Å; H107-F136 WeakPolarHBondContact CE1-CB 3.3Å; H107-F136 AromaticContact CE1-CG 3.96Å; H107-F136 WeakPolarHBondContact ND1-CB 3.38Å; F136-N138 HydrophobicContact CD1-CB 4.37Å; F136-N138 HydrophobicContact CE1-CB 4.18Å; F136-N138 PolarHBondContact O-N 2.81Å; F136-N199 HydrophobicContact CE2-CB 4.47Å; F136-N199 HydrophobicContact CZ-CB 4.26Å; F136-Y201 HydrophobicContact CB-CD1 3.98Å; F136-Y201 HydrophobicContact CB-CE1 3.72Å; F136-Y201 HydrophobicContact CD2-CD1 4.19Å; F136-Y201 HydrophobicContact CD2-CD2 4.12Å; F136-Y201 AromaticContact CD2-CE1 3.9Å; F136-Y201 HydrophobicContact CD2-CE1 3.9Å; F136-Y201 AromaticContact CD2-CE2 3.78Å; F136-Y201 HydrophobicContact CD2-CE2 3.78Å; F136-Y201 HydrophobicContact CD2-CG 4.31Å; F136-Y201 AromaticContact CD2-CZ 3.67Å; F136-Y201 HydrophobicContact CE2-CE2 4.26Å; F136-Y201 HydrophobicContact CG-CE1 4.23Å
137	C	97.4	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.2	172.5	-175	0	0	0	0	108.7	L104 V139 L196 R197 P198 N199 T200 Y202	L104-C137 HydrophobicContact CD2-CB 3.87Å; C137-V139 PolarHBondContact SG-O 3.09Å; C137-L196 HydrophobicContact CB-CB 4.25Å; C137-L196 VanDerWaalsContact SG-CB 3.58Å; C137-R197 WeakPolarHBondContact CB-O 2.99Å; C137-R197 PolarHBondContact SG-O 2.94Å; C137-R197 VanDerWaalsContact SG-O 3.32Å; C137-P198 CarbonylContact O-C 3.06Å; C137-N199 WeakPolarHBondContact O-CA 3.2Å; C137-N199 PolarHBondContact O-N 3.47Å; C137-T200 WeakPolarHBondContact CB-O 3.34Å; C137-T200 PolarHBondContact N-O 2.73Å; C137-T200 PolarHBondContact O-N 3.22Å; C137-Y202 HydrophobicContact CB-CD2 4.12Å; C137-Y202 HydrophobicContact CB-CE2 3.71Å
138	N	96.5	Very high	97.5	Very high	67 Å²	67	28.9 Å²	28.9	36%	0.358	16%	0.161	S	C	.	.			trans	-82.6	-47.6	177.2	-173.6	44.3	0	0	0	110.6	H102 T103 F105 F136	H102-N138 PolarHBondContact O-ND2 2.84Å; T103-N138 PolarHBondContact O-N 2.69Å; F105-N138 HydrophobicContact CD2-CB 4.12Å; F105-N138 HydrophobicContact CE2-CB 4Å; F136-N138 HydrophobicContact CD1-CB 4.37Å; F136-N138 HydrophobicContact CE1-CB 4.18Å; F136-N138 PolarHBondContact O-N 2.81Å
139	V	95.6	Very high	97.5	Very high	64 Å²	64	28.3 Å²	28.3	39%	0.388	16%	0.156	S	C	.	.	S	Bend	trans	-121	136.6	-178.1	-178.2	0	0	0	0	109.3	T103 C137 T141	T103-V139 HydrophobicContact CG2-CB 4.43Å; C137-V139 PolarHBondContact SG-O 3.09Å; V139-T141 PolarHBondContact O-N 3.23Å
140	S	97	Very high	97.3	Very high	54 Å²	54	32.5 Å²	32.5	38%	0.378	17%	0.171	S	C	.	.			trans	-52.3	124.2	176.7	-173.6	0	0	0	0	110.9	L196	S140-L196 VanDerWaalsContact CA-O 3.31Å; S140-L196 WeakPolarHBondContact CA-O 3.33Å; S140-L196 PolarHBondContact OG-O 3.43Å
141	T	96.8	Very high	97	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	144.9	-175.8	-176.9	0	0	0	0	111.7	L104 V139 E143 P195 L196	L104-T141 HydrophobicContact CD1-CG2 4.4Å; V139-T141 PolarHBondContact O-N 3.23Å; T141-E143 PolarHBondContact OG1-N 2.65Å; T141-E143 PolarHBondContact OG1-O 3.42Å; T141-P195 CarbonylContact O-C 3.37Å; T141-P195 WeakPolarHBondContact O-CA 3.47Å; T141-L196 HydrophobicContact CG2-CD1 4.27Å; T141-L196 PolarHBondContact O-N 3.3Å
142	T	96.8	Very high	96.9	Very high	51 Å²	51	34.4 Å²	34.4	31%	0.313	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-3.2	167.1	48.6	0	0	0	0	112.4	K191 L192 P195	T142-K191 CarbonylContact O-C 3.53Å; T142-K191 WeakPolarHBondContact O-CA 3.3Å; T142-L192 PolarHBondContact O-N 3.23Å; T142-P195 HydrophobicContact CG2-CB 3.89Å
143	E	96.4	Very high	96.9	Very high	51 Å²	51	36.3 Å²	36.3	24%	0.238	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.1	-172.6	-56.5	-166.1	176.3	0	0	111.6	T141 F145 R189	T141-E143 PolarHBondContact OG1-N 2.65Å; T141-E143 PolarHBondContact OG1-O 3.42Å; E143-F145 HydrophobicContact CB-CE2 4.07Å; E143-R189 IonicContact OE1-CZ 2.69Å; E143-R189 IonicContact OE1-NE 3.4Å; E143-R189 PolarHBondContact OE1-NE 2.75Å; E143-R189 IonicContact OE1-NH2 2.75Å; E143-R189 PolarHBondContact OE1-NH2 3.18Å; E143-R189 IonicContact OE2-CZ 3.03Å; E143-R189 IonicContact OE2-NE 3.68Å; E143-R189 PolarHBondContact OE2-NE 2.62Å; E143-R189 IonicContact OE2-NH2 2.59Å
144	I	96.9	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.9	175.6	-47.6	-177.2	0	0	0	108.1	L104 M161 R189 I190 L192 L196 L204 W251	L104-I144 HydrophobicContact CD1-CB 4.01Å; L104-I144 HydrophobicContact CD1-CD1 4.13Å; L104-I144 HydrophobicContact CD1-CG1 3.63Å; L104-I144 HydrophobicContact CD1-CG2 3.71Å; I144-M161 HydrophobicContact CD1-CE 3.88Å; I144-M161 HydrophobicContact CD1-SD 4.29Å; I144-R189 CarbonylContact O-C 3.52Å; I144-R189 VanDerWaalsContact O-CA 3.32Å; I144-R189 WeakPolarHBondContact O-CA 3.42Å; I144-I190 HydrophobicContact CB-CB 4.23Å; I144-I190 PolarHBondContact N-O 2.85Å; I144-I190 PolarHBondContact O-N 3.06Å; I144-L192 HydrophobicContact CD1-CD1 4.14Å; I144-L192 HydrophobicContact CG1-CD1 4.34Å; I144-L196 HydrophobicContact CD1-CD1 4.36Å; I144-L204 HydrophobicContact CG2-CD2 4.12Å; I144-W251 HydrophobicContact CG2-CH2 4.12Å; I144-W251 HydrophobicContact CG2-CZ2 4.08Å
145	F	96.5	Very high	96.8	Very high	49 Å²	49	36.1 Å²	36.1	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.4	171.1	-63.9	-93.5	0	0	0	109.2	L100 P101 E143 F182 Y188 R189	L100-F145 HydrophobicContact CD2-CB 3.61Å; P101-F145 HydrophobicContact CG-CD2 3.86Å; E143-F145 HydrophobicContact CB-CE2 4.07Å; F145-F182 HydrophobicContact CE1-CE2 4.17Å; F145-Y188 WeakPolarHBondContact CA-O 3.29Å; F145-R189 HydrophobicContact CD1-CB 4.04Å; F145-R189 HydrophobicContact CD1-CG 4.48Å; F145-R189 HydrophobicContact CE1-CB 3.79Å; F145-R189 HydrophobicContact CE1-CG 3.9Å; F145-R189 HydrophobicContact CZ-CB 4.4Å; F145-R189 HydrophobicContact CZ-CG 4Å
146	V	97.7	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	130.1	-176.7	61.3	0	0	0	0	109.7	C187 Y188 I190 F206 P249	V146-C187 CarbonylContact O-C 3.49Å; V146-C187 WeakPolarHBondContact O-CA 3.38Å; V146-C187 VanDerWaalsContact O-CB 3.29Å; V146-C187 WeakPolarHBondContact O-CB 3.38Å; V146-Y188 PolarHBondContact N-O 2.79Å; V146-Y188 PolarHBondContact O-N 2.89Å; V146-I190 HydrophobicContact CG1-CD1 4.23Å; V146-F206 HydrophobicContact CB-CZ 4.43Å; V146-F206 HydrophobicContact CG1-CE1 4.35Å; V146-F206 HydrophobicContact CG1-CZ 3.8Å; V146-F206 HydrophobicContact CG2-CE2 4.32Å; V146-F206 HydrophobicContact CG2-CZ 4.08Å; V146-P249 HydrophobicContact CG2-CB 4.04Å
147	H	97.6	Very high	96.8	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.8	179	-64.8	123.5	0	0	0	110.9	L100 E186 R245 P249 C250 D252 E253	L100-H147 VanDerWaalsContact CD1-CE1 3.43Å; L100-H147 WeakPolarHBondContact CD1-CE1 3.33Å; L100-H147 WeakPolarHBondContact CD1-ND1 3.09Å; L100-H147 VanDerWaalsContact CG-CE1 3.41Å; L100-H147 WeakPolarHBondContact CG-CE1 3.31Å; H147-E186 WeakPolarHBondContact CA-O 3.21Å; H147-R245 HydrophobicContact CB-CB 3.65Å; H147-R245 VanDerWaalsContact CD2-CZ 3.49Å; H147-R245 PolarHBondContact CD2-NH1 2.95Å; H147-R245 PolarHBondContact CD2-NH2 2.9Å; H147-R245 PolarHBondContact CE1-NH2 2.89Å; H147-R245 VanDerWaalsContact CE1-NH2 3.31Å; H147-R245 PolarHBondContact ND1-NH2 3.18Å; H147-R245 PolarHBondContact NE2-NH2 2.9Å; H147-P249 CarbonylContact O-C 3.52Å; H147-P249 VanDerWaalsContact O-CA 3.28Å; H147-P249 WeakPolarHBondContact O-CA 3.38Å; H147-C250 WeakPolarHBondContact CA-O 3.44Å; H147-C250 VanDerWaalsContact CB-O 3.27Å; H147-C250 WeakPolarHBondContact CB-O 3.42Å; H147-C250 PolarHBondContact N-O 3.02Å; H147-C250 PolarHBondContact O-N 2.86Å; H147-D252 HydrophobicContact CB-CB 3.9Å; H147-D252 PolarHBondContact ND1-N 3.05Å; H147-E253 IonicContact CE1-OE1 3.87Å; H147-E253 PolarHBondContact CE1-OE1 2.79Å
148	A	97.7	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.			trans	-156.2	129.8	168.7	0	0	0	0	0	107.4	L152 Y181 E186 Y188 R245 P249	A148-L152 HydrophobicContact CB-CD2 4.35Å; A148-Y181 VanDerWaalsContact O-CE2 3.23Å; A148-Y181 WeakPolarHBondContact O-CE2 3.47Å; A148-Y181 PolarHBondContact O-OH 3.04Å; A148-Y181 VanDerWaalsContact O-OH 3.12Å; A148-E186 CarbonylContact C-O 3.45Å; A148-E186 PolarHBondContact N-O 2.92Å; A148-E186 CarbonylContact O-C 3.49Å; A148-Y188 HydrophobicContact CB-CD2 3.65Å; A148-Y188 HydrophobicContact CB-CE2 3.52Å; A148-R245 CarbonylContact C-O 3.58Å; A148-R245 WeakPolarHBondContact CA-O 3.25Å; A148-P249 HydrophobicContact CB-CB 4.45Å; A148-P249 HydrophobicContact CB-CG 4.45Å
149	Y	96.4	Very high	96.8	Very high	33 Å²	33	45 Å²	45	13%	0.129	23%	0.234	C	C	.	.			trans	-74.9	149.2	-179	-166.9	-113.5	0	0	0	111	T151 L152 E186 R245 R246	Y149-T151 HydrophobicContact CD1-CG2 4.05Å; Y149-T151 VanDerWaalsContact CD1-OG1 3.31Å; Y149-T151 WeakPolarHBondContact CD1-OG1 3.41Å; Y149-T151 HydrophobicContact CE1-CG2 3.79Å; Y149-T151 PolarHBondContact O-N 2.87Å; Y149-L152 VanDerWaalsContact O-CB 3.26Å; Y149-L152 WeakPolarHBondContact O-CB 3.28Å; Y149-L152 PolarHBondContact O-N 3Å; Y149-E186 HydrophobicContact CD2-CG 4.25Å; Y149-E186 WeakPolarHBondContact CE2-OE1 3.34Å; Y149-R245 PolarHBondContact N-O 3.33Å; Y149-R246 HydrophobicContact CD1-CG 3.89Å; Y149-R246 HydrophobicContact CD2-CG 4.34Å; Y149-R246 HydrophobicContact CG-CG 3.68Å; Y149-R246 PolarHBondContact OH-NH2 2.99Å
150	K	94.3	Very high	96.9	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23	-174.8	68	-176.9	-179.4	-178.2	0	115.6	Y181	K150-Y181 WeakPolarHBondContact CA-OH 3.46Å; K150-Y181 HydrophobicContact CB-CE1 4.16Å; K150-Y181 PolarHBondContact N-OH 3.45Å; K150-Y181 VanDerWaalsContact N-OH 3.08Å
151	T	92.9	Very high	96.8	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.5	178.4	67.2	0	0	0	0	113.2	Y149 D153	Y149-T151 HydrophobicContact CD1-CG2 4.05Å; Y149-T151 VanDerWaalsContact CD1-OG1 3.31Å; Y149-T151 WeakPolarHBondContact CD1-OG1 3.41Å; Y149-T151 HydrophobicContact CE1-CG2 3.79Å; Y149-T151 PolarHBondContact O-N 2.87Å; T151-D153 PolarHBondContact O-N 2.91Å
152	L	97.8	Very high	96.7	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.221	C	C	.	.	S	Bend	trans	-83.8	103.1	173	-171.9	66.8	0	0	0	108.4	F127 A148 Y149 V154 F209 P249	F127-L152 HydrophobicContact CE2-CD1 4.22Å; F127-L152 HydrophobicContact CZ-CD1 4.15Å; A148-L152 HydrophobicContact CB-CD2 4.35Å; Y149-L152 VanDerWaalsContact O-CB 3.26Å; Y149-L152 WeakPolarHBondContact O-CB 3.28Å; Y149-L152 PolarHBondContact O-N 3Å; L152-V154 HydrophobicContact CD2-CG2 4.22Å; L152-V154 HydrophobicContact CG-CG2 4.13Å; L152-V154 PolarHBondContact O-N 3.28Å; L152-F209 HydrophobicContact CD1-CB 4.18Å; L152-F209 HydrophobicContact CD1-CD2 3.86Å; L152-F209 HydrophobicContact CD1-CG 4.32Å; L152-F209 HydrophobicContact CG-CB 4.22Å; L152-P249 HydrophobicContact CD2-CG 4.29Å
153	D	97.7	Very high	96.3	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	93	177.6	174.4	16.2	0	0	0	109.7	T151 K155 F209 C210	T151-D153 PolarHBondContact O-N 2.91Å; D153-K155 IonicContact OD1-NZ 3.5Å; D153-K155 PolarHBondContact OD1-NZ 2.78Å; D153-K155 IonicContact OD2-NZ 3.61Å; D153-K155 PolarHBondContact OD2-NZ 2.82Å; D153-F209 CarbonylContact O-C 3.58Å; D153-F209 WeakPolarHBondContact O-CA 3.28Å; D153-C210 PolarHBondContact N-O 3.43Å; D153-C210 PolarHBondContact O-N 2.84Å
154	V	98.4	Very high	95.8	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.4	175.9	-178.5	0	0	0	0	110.1	L152 L156 I159 Y188 F206 F209 P249	L152-V154 HydrophobicContact CD2-CG2 4.22Å; L152-V154 HydrophobicContact CG-CG2 4.13Å; L152-V154 PolarHBondContact O-N 3.28Å; V154-L156 HydrophobicContact CB-CD2 4.46Å; V154-L156 HydrophobicContact CG1-CD2 4.27Å; V154-L156 PolarHBondContact O-N 2.92Å; V154-L156 VanDerWaalsContact O-N 3.09Å; V154-I159 HydrophobicContact CG1-CD1 4.17Å; V154-Y188 HydrophobicContact CB-CE2 4.1Å; V154-Y188 HydrophobicContact CG2-CE2 3.85Å; V154-F206 HydrophobicContact CG1-CD1 3.8Å; V154-F206 HydrophobicContact CG1-CE1 4.48Å; V154-F209 HydrophobicContact CG2-CB 4.13Å; V154-P249 HydrophobicContact CG1-CG 4.49Å; V154-P249 HydrophobicContact CG2-CG 3.84Å
155	K	98.1	Very high	94.5	Very high	66 Å²	66	49.8 Å²	49.8	29%	0.287	25%	0.247	S	C	.	.			trans	-76.5	98	173.6	-61.1	-57.2	172.4	-145.8	0	110.7	D153 D157 K158 Q208	D153-K155 IonicContact OD1-NZ 3.5Å; D153-K155 PolarHBondContact OD1-NZ 2.78Å; D153-K155 IonicContact OD2-NZ 3.61Å; D153-K155 PolarHBondContact OD2-NZ 2.82Å; K155-D157 VanDerWaalsContact C-N 3.27Å; K155-D157 PolarHBondContact O-N 3.48Å; K155-K158 HydrophobicContact CB-CB 4.22Å; K155-K158 HydrophobicContact CB-CG 3.83Å; K155-K158 WeakPolarHBondContact O-CB 3.16Å; K155-K158 PolarHBondContact O-N 2.79Å; K155-Q208 HydrophobicContact CB-CB 4.1Å; K155-Q208 HydrophobicContact CG-CB 3.92Å; K155-Q208 HydrophobicContact CG-CG 3.91Å; K155-Q208 PolarHBondContact N-O 2.98Å
156	L	97.1	Very high	92.4	Very high	73 Å²	73	53.6 Å²	53.6	38%	0.382	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.5	-33.1	-174.2	-56.5	-173.4	0	0	0	113.3	V154 K158 I159 I179 Y188	V154-L156 HydrophobicContact CB-CD2 4.46Å; V154-L156 HydrophobicContact CG1-CD2 4.27Å; V154-L156 PolarHBondContact O-N 2.92Å; V154-L156 VanDerWaalsContact O-N 3.09Å; L156-K158 PolarHBondContact O-N 2.81Å; L156-I159 HydrophobicContact CD2-CD1 3.84Å; L156-I159 WeakPolarHBondContact O-CB 3.37Å; L156-I159 PolarHBondContact O-N 3.03Å; L156-I179 HydrophobicContact CB-CD1 4.35Å; L156-I179 HydrophobicContact CD2-CG2 4.23Å; L156-Y188 HydrophobicContact CD2-CD1 4.33Å; L156-Y188 HydrophobicContact CD2-CE1 3.79Å
157	D	96.4	Very high	90.2	Very high	116 Å²	116	65.9 Å²	65.9	62%	0.62	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12	175.7	70.3	-61.2	0	0	0	113.5	K155	K155-D157 VanDerWaalsContact C-N 3.27Å; K155-D157 PolarHBondContact O-N 3.48Å
158	K	97.5	Very high	87.8	Confident	95 Å²	95	73.4 Å²	73.4	41%	0.413	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-101.4	10.1	177	-54.7	-57.6	-178.2	-160.1	0	113	K155 L156 G207 Q208	K155-K158 HydrophobicContact CB-CB 4.22Å; K155-K158 HydrophobicContact CB-CG 3.83Å; K155-K158 WeakPolarHBondContact O-CB 3.16Å; K155-K158 PolarHBondContact O-N 2.79Å; L156-K158 PolarHBondContact O-N 2.81Å; K158-G207 PolarHBondContact O-N 2.87Å; K158-Q208 HydrophobicContact CG-CB 4.45Å
159	I	98.1	Very high	85.2	Confident	10 Å²	10	80.4 Å²	80.4	5%	0.051	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	174.5	-59.2	175	0	0	0	109	V154 L156 I176 I179 I190 L204 T205 F206	V154-I159 HydrophobicContact CG1-CD1 4.17Å; L156-I159 HydrophobicContact CD2-CD1 3.84Å; L156-I159 WeakPolarHBondContact O-CB 3.37Å; L156-I159 PolarHBondContact O-N 3.03Å; I159-I176 HydrophobicContact CB-CD1 4.07Å; I159-I176 HydrophobicContact CG2-CD1 3.68Å; I159-I176 WeakPolarHBondContact O-CD1 3.45Å; I159-I179 HydrophobicContact CB-CD1 4.32Å; I159-I179 HydrophobicContact CD1-CD1 3.71Å; I159-I190 HydrophobicContact CG2-CD1 3.98Å; I159-L204 HydrophobicContact CG2-CD1 4.04Å; I159-T205 CarbonylContact C-O 3.5Å; I159-T205 VanDerWaalsContact CA-O 3.24Å; I159-T205 WeakPolarHBondContact CA-O 3.45Å; I159-F206 HydrophobicContact CD1-CD1 3.83Å; I159-F206 HydrophobicContact CD1-CE1 3.67Å; I159-F206 HydrophobicContact CG1-CD1 3.72Å; I159-F206 HydrophobicContact CG1-CE1 3.97Å; I159-F206 HydrophobicContact CG2-CE1 4.34Å
160	Q	96.6	Very high	83	Confident	88 Å²	88	85.5 Å²	85.5	41%	0.411	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.6	-179.2	-64.4	-176.8	-8.6	0	0	111.2	L204 T205	Q160-L204 CarbonylContact O-C 3.33Å; Q160-L204 WeakPolarHBondContact O-CA 3.4Å; Q160-T205 PolarHBondContact N-O 2.88Å; Q160-T205 PolarHBondContact O-N 2.94Å
161	M	95.2	Very high	81.3	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.005	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	174.2	-174.3	62	159.6	0	0	109.6	V135 I144 I174 L192 L196 Y202 N203 L204	V135-M161 HydrophobicContact CG2-CE 3.92Å; I144-M161 HydrophobicContact CD1-CE 3.88Å; I144-M161 HydrophobicContact CD1-SD 4.29Å; M161-I174 HydrophobicContact CB-CB 4.28Å; M161-I174 HydrophobicContact CG-CB 4.32Å; M161-I174 HydrophobicContact CG-CD1 4.15Å; M161-I174 PolarHBondContact O-N 3.32Å; M161-L192 HydrophobicContact CB-CD2 4.42Å; M161-L196 HydrophobicContact CE-CD1 3.47Å; M161-L196 VanDerWaalsContact CE-CD1 3.47Å; M161-L196 HydrophobicContact CE-CD2 3.67Å; M161-L196 HydrophobicContact CE-CG 4.23Å; M161-L196 HydrophobicContact CG-CD2 4.33Å; M161-Y202 HydrophobicContact CE-CD1 4Å; M161-Y202 HydrophobicContact CE-CD2 4.05Å; M161-Y202 HydrophobicContact CE-CG 3.5Å; M161-Y202 VanDerWaalsContact CE-CG 3.5Å; M161-Y202 HydrophobicContact SD-CG 4.41Å; M161-N203 WeakPolarHBondContact CA-O 3.5Å; M161-L204 HydrophobicContact CB-CD1 4.42Å; M161-L204 HydrophobicContact SD-CB 3.87Å; M161-L204 HydrophobicContact SD-CD1 4.17Å
162	V	94	Very high	80.6	Confident	30 Å²	30	84.9 Å²	84.9	18%	0.182	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.7	-174.3	-176.3	0	0	0	0	110.3	I173 Y202 N203	V162-I173 HydrophobicContact CG2-CG1 4.23Å; V162-Y202 CarbonylContact O-C 3.56Å; V162-Y202 VanDerWaalsContact O-CA 3.28Å; V162-Y202 WeakPolarHBondContact O-CA 3.38Å; V162-N203 PolarHBondContact N-O 2.81Å; V162-N203 PolarHBondContact O-N 2.82Å
163	P	90.3	Very high	80.1	Confident	30 Å²	30	89.2 Å²	89.2	20%	0.195	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.3	175.2	27.8	-33.9	0	0	0	112	H165 Y202	P163-H165 PolarHBondContact O-N 2.97Å; P163-Y202 VanDerWaalsContact CA-CD1 3.46Å; P163-Y202 HydrophobicContact CB-CD1 3.9Å; P163-Y202 HydrophobicContact CB-CE1 3.82Å
164	L	85.1	Confident	79.8	Confident	60 Å²	60	86.8 Å²	86.8	31%	0.314	44%	0.44	S	S	.	.			trans	-96.9	61.8	173.1	-71.3	171.5	0	0	0	110.9	K134 Y201 N203	K134-L164 HydrophobicContact CD-CD1 3.97Å; K134-L164 HydrophobicContact CG-CD1 3.67Å; L164-Y201 WeakPolarHBondContact CB-O 3.49Å; L164-Y201 PolarHBondContact N-O 2.79Å; L164-N203 WeakPolarHBondContact CD1-OD1 3.5Å
165	H	70.3	Confident	79.6	Confident	127 Å²	127	92 Å²	92	59%	0.588	46%	0.464	S	S	*	.			trans	-157.4	150.8	169.6	-101.4	34.3	0	0	0	107.5	P163	P163-H165 PolarHBondContact O-N 2.97Å
166	E	51.3	Low	79.5	Confident	129 Å²	129	91 Å²	91	60%	0.603	46%	0.461	S	S	*	.			cis	-142.9	156.2	-3.3	-101.4	169.6	-162.1	0	0	105.7	N168 Q169	E166-N168 PolarHBondContact O-N 2.96Å; E166-Q169 PolarHBondContact O-N 2.87Å; E166-Q169 VanDerWaalsContact O-N 3.15Å
167	R	51.3	Low	79.5	Confident	257 Å²	257	92.3 Å²	92.3	97%	0.97	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-1.5	-169.5	-87.5	-178	177.7	174.4	-0.5	118.6
168	N	47.7	Very low	79.5	Confident	162 Å²	162	90 Å²	90	87%	0.866	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	11.8	-178.7	-78.4	-26.3	0	0	0	115.8	E166	E166-N168 PolarHBondContact O-N 2.96Å
169	Q	43.7	Very low	79.5	Confident	146 Å²	146	87 Å²	87	68%	0.682	44%	0.441	S	S	*	.	S	Bend	trans	-118.3	124.1	173.1	-69.4	-177.4	4.4	0	0	109.8	E166 S171	E166-Q169 PolarHBondContact O-N 2.87Å; E166-Q169 VanDerWaalsContact O-N 3.15Å; Q169-S171 PolarHBondContact O-N 2.87Å
170	T	49.9	Very low	79.4	Confident	141 Å²	141	89.5 Å²	89.5	87%	0.865	46%	0.455	S	S	*	.			trans	-48.6	111.8	165.1	39.8	0	0	0	0	107.8	S172	T170-S172 PolarHBondContact O-N 3Å
171	S	59.2	Low	79.4	Confident	69 Å²	69	88.5 Å²	88.5	48%	0.483	45%	0.447	S	S	.	.			trans	-58.7	99.5	-178.2	-44.5	0	0	0	0	108.7	Q169 I173	Q169-S171 PolarHBondContact O-N 2.87Å; S171-I173 PolarHBondContact O-N 3.4Å
172	S	76.2	Confident	79.3	Confident	91 Å²	91	92.8 Å²	92.8	64%	0.636	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-68.3	120.3	174.5	53	0	0	0	0	107.8	T170 I174	T170-S172 PolarHBondContact O-N 3Å; S172-I174 PolarHBondContact O-N 2.96Å
173	I	87.3	Confident	79.1	Confident	95 Å²	95	96.4 Å²	96.4	49%	0.487	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-53.2	131.7	171.1	-64	168	0	0	0	107.9	V162 S171 E175	V162-I173 HydrophobicContact CG2-CG1 4.23Å; S171-I173 PolarHBondContact O-N 3.4Å; I173-E175 PolarHBondContact O-N 2.96Å
174	I	92.3	Very high	78.9	Confident	28 Å²	28	101.6 Å²	101.6	14%	0.144	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-75.7	120.1	173.2	-57.9	180	0	0	0	107.2	M161 S172 I176 L192 L196 Y202	M161-I174 HydrophobicContact CB-CB 4.28Å; M161-I174 HydrophobicContact CG-CB 4.32Å; M161-I174 HydrophobicContact CG-CD1 4.15Å; M161-I174 PolarHBondContact O-N 3.32Å; S172-I174 PolarHBondContact O-N 2.96Å; I174-I176 PolarHBondContact O-N 3.36Å; I174-L192 HydrophobicContact CG2-CB 4.26Å; I174-L192 HydrophobicContact CG2-CD1 4.28Å; I174-L192 HydrophobicContact CG2-CD2 4.18Å; I174-L192 HydrophobicContact CG2-CG 4.49Å; I174-L196 HydrophobicContact CD1-CD2 3.56Å; I174-Y202 HydrophobicContact CD1-CD1 3.73Å; I174-Y202 HydrophobicContact CD1-CE1 3.56Å
175	E	94.1	Very high	79.1	Confident	118 Å²	118	99.8 Å²	99.8	55%	0.551	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-66.3	126.9	-178.9	-68.3	-175.1	-159.8	0	0	111.3	I173 K193	I173-E175 PolarHBondContact O-N 2.96Å; E175-K193 HydrophobicContact CB-CB 4.35Å; E175-K193 HydrophobicContact CB-CD 3.82Å; E175-K193 HydrophobicContact CB-CG 4.11Å; E175-K193 PolarHBondContact O-N 2.76Å; E175-K193 VanDerWaalsContact OE2-CD 3.29Å; E175-K193 WeakPolarHBondContact OE2-CD 3.16Å; E175-K193 VanDerWaalsContact OE2-CE 3.31Å; E175-K193 WeakPolarHBondContact OE2-CE 3.25Å; E175-K193 IonicContact OE2-NZ 2.87Å; E175-K193 PolarHBondContact OE2-NZ 2.84Å
176	I	96.7	Very high	80.1	Confident	46 Å²	46	95.1 Å²	95.1	24%	0.236	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.5	170.6	-60.8	172.5	0	0	0	107.3	I159 I174 I179 I190 K191 L192	I159-I176 HydrophobicContact CB-CD1 4.07Å; I159-I176 HydrophobicContact CG2-CD1 3.68Å; I159-I176 WeakPolarHBondContact O-CD1 3.45Å; I174-I176 PolarHBondContact O-N 3.36Å; I176-I179 HydrophobicContact CD1-CD1 4.41Å; I176-I179 HydrophobicContact CG2-CD1 3.99Å; I176-I179 HydrophobicContact CG2-CG1 3.6Å; I176-I190 HydrophobicContact CD1-CG2 4Å; I176-I190 HydrophobicContact CG1-CG2 3.99Å; I176-I190 HydrophobicContact CG2-CG2 3.77Å; I176-K191 CarbonylContact C-O 3.55Å; I176-L192 HydrophobicContact CG1-CD2 4.06Å
177	E	96.2	Very high	82.2	Confident	99 Å²	99	89.3 Å²	89.3	46%	0.463	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-45.3	176.4	-170.3	-172.9	157.3	0	0	110.9	K191 K193	E177-K191 HydrophobicContact CB-CB 4.48Å; E177-K191 HydrophobicContact CB-CD 4.47Å; E177-K191 HydrophobicContact CB-CG 4.36Å; E177-K191 HydrophobicContact CG-CD 4.49Å; E177-K191 PolarHBondContact N-O 3.38Å; E177-K191 IonicContact OE1-NZ 3.76Å; E177-K191 PolarHBondContact OE1-NZ 3.11Å; E177-K191 WeakPolarHBondContact OE2-CD 3.34Å; E177-K191 WeakPolarHBondContact OE2-CE 3.31Å; E177-K191 IonicContact OE2-NZ 3.84Å; E177-K191 PolarHBondContact OE2-NZ 3.37Å; E177-K193 HydrophobicContact CB-CG 3.8Å; E177-K193 HydrophobicContact CG-CG 4.28Å
178	D	97	Very high	84.4	Confident	68 Å²	68	78.3 Å²	78.3	36%	0.364	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	154.6	-172.6	-173.4	28.3	0	0	0	111.5	N180 K191	D178-N180 PolarHBondContact OD2-ND2 2.88Å; D178-K191 HydrophobicContact CB-CB 4.25Å; D178-K191 PolarHBondContact N-O 2.83Å; D178-K191 PolarHBondContact O-N 2.77Å
179	I	97.5	Very high	86.7	Confident	32 Å²	32	73.1 Å²	73.1	16%	0.164	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.4	175.1	-51.5	-176.1	0	0	0	109.3	L156 I159 I176 Y188 R189 I190	L156-I179 HydrophobicContact CB-CD1 4.35Å; L156-I179 HydrophobicContact CD2-CG2 4.23Å; I159-I179 HydrophobicContact CB-CD1 4.32Å; I159-I179 HydrophobicContact CD1-CD1 3.71Å; I176-I179 HydrophobicContact CD1-CD1 4.41Å; I176-I179 HydrophobicContact CG2-CD1 3.99Å; I176-I179 HydrophobicContact CG2-CG1 3.6Å; I179-Y188 HydrophobicContact CG2-CD1 3.84Å; I179-Y188 HydrophobicContact CG2-CG 4.44Å; I179-R189 WeakPolarHBondContact CA-O 3.35Å; I179-I190 HydrophobicContact CG1-CG1 4.47Å; I179-I190 HydrophobicContact CG1-CG2 4.41Å; I179-I190 HydrophobicContact CG2-CG1 4.26Å
180	N	96.2	Very high	89.3	Confident	63 Å²	63	66.2 Å²	66.2	34%	0.337	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.3	176.1	-67.5	-62.6	0	0	0	110.9	D178 Y188 R189	D178-N180 PolarHBondContact OD2-ND2 2.88Å; N180-Y188 CarbonylContact O-C 3.56Å; N180-Y188 WeakPolarHBondContact O-CA 3.37Å; N180-R189 PolarHBondContact N-O 2.88Å; N180-R189 PolarHBondContact O-N 3.03Å
181	Y	96.1	Very high	91.6	Very high	66 Å²	66	62.2 Å²	62.2	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.6	174.2	-175.6	-102.1	0	0	0	110.7	A148 K150 Q183 E186 C187 Y188	A148-Y181 VanDerWaalsContact O-CE2 3.23Å; A148-Y181 WeakPolarHBondContact O-CE2 3.47Å; A148-Y181 PolarHBondContact O-OH 3.04Å; A148-Y181 VanDerWaalsContact O-OH 3.12Å; K150-Y181 WeakPolarHBondContact CA-OH 3.46Å; K150-Y181 HydrophobicContact CB-CE1 4.16Å; K150-Y181 PolarHBondContact N-OH 3.45Å; K150-Y181 VanDerWaalsContact N-OH 3.08Å; Y181-Q183 HydrophobicContact CE1-CB 4.37Å; Y181-Q183 VanDerWaalsContact CE1-OE1 3.29Å; Y181-E186 WeakPolarHBondContact OH-CA 3Å; Y181-C187 WeakPolarHBondContact CD2-O 3.41Å; Y181-Y188 AromaticContact CD2-CD1 3.72Å; Y181-Y188 HydrophobicContact CD2-CD1 3.72Å; Y181-Y188 HydrophobicContact CD2-CD2 4.19Å; Y181-Y188 AromaticContact CD2-CE1 3.6Å; Y181-Y188 HydrophobicContact CD2-CE1 3.6Å; Y181-Y188 HydrophobicContact CD2-CE2 4.08Å; Y181-Y188 HydrophobicContact CD2-CG 4.01Å; Y181-Y188 AromaticContact CD2-CZ 3.79Å; Y181-Y188 HydrophobicContact CE2-CE2 4.38Å; Y181-Y188 HydrophobicContact CG-CD1 4.32Å; Y181-Y188 HydrophobicContact CG-CE1 4.1Å
182	F	93.3	Very high	93.4	Very high	92 Å²	92	59 Å²	59	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	102.8	175.9	-70	-82	0	0	0	109.5	F145 D184 A185 E186 C187 R189	F145-F182 HydrophobicContact CE1-CE2 4.17Å; F182-D184 PolarHBondContact O-N 2.84Å; F182-A185 HydrophobicContact CB-CB 4.11Å; F182-A185 PolarHBondContact O-N 3.38Å; F182-E186 PolarHBondContact O-N 2.89Å; F182-C187 PolarHBondContact N-O 2.69Å; F182-C187 PolarHBondContact O-N 3.49Å; F182-R189 HydrophobicContact CD2-CB 4Å; F182-R189 HydrophobicContact CE2-CB 3.46Å; F182-R189 VanDerWaalsContact CE2-CB 3.46Å; F182-R189 HydrophobicContact CE2-CG 4.2Å
183	Q	90.3	Very high	94.4	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.491	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-46.1	-175.1	-176.9	83.4	-12.3	0	0	112.9	Y181 E186	Y181-Q183 HydrophobicContact CE1-CB 4.37Å; Y181-Q183 VanDerWaalsContact CE1-OE1 3.29Å; Q183-E186 PolarHBondContact O-N 3.15Å
184	D	85.9	Confident	94.7	Very high	140 Å²	140	62.3 Å²	62.3	75%	0.749	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-31.2	-174.6	-62.7	-30	0	0	0	112.7	F98 F182	F98-D184 HydrophobicContact CE1-CB 3.99Å; F182-D184 PolarHBondContact O-N 2.84Å
185	A	88	Confident	94.8	Very high	21 Å²	21	64.4 Å²	64.4	17%	0.174	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.9	176.1	0	0	0	0	0	113.1	F98 F182 C187	F98-A185 HydrophobicContact CD1-CB 4.05Å; F182-A185 HydrophobicContact CB-CB 4.11Å; F182-A185 PolarHBondContact O-N 3.38Å; A185-C187 VanDerWaalsContact C-N 3.26Å; A185-C187 PolarHBondContact O-N 3.47Å
186	E	92.9	Very high	94.9	Very high	30 Å²	30	58.9 Å²	58.9	14%	0.14	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	45	-176.1	-55.3	172.1	155.3	0	0	112.4	H147 A148 Y149 Y181 F182 Q183 R245	H147-E186 WeakPolarHBondContact CA-O 3.21Å; A148-E186 CarbonylContact C-O 3.45Å; A148-E186 PolarHBondContact N-O 2.92Å; A148-E186 CarbonylContact O-C 3.49Å; Y149-E186 HydrophobicContact CD2-CG 4.25Å; Y149-E186 WeakPolarHBondContact CE2-OE1 3.34Å; Y181-E186 WeakPolarHBondContact OH-CA 3Å; F182-E186 PolarHBondContact O-N 2.89Å; Q183-E186 PolarHBondContact O-N 3.15Å; E186-R245 WeakPolarHBondContact OE2-CD 3.35Å; E186-R245 IonicContact OE2-CZ 3.14Å; E186-R245 IonicContact OE2-NE 3.54Å; E186-R245 IonicContact OE2-NH1 2.75Å; E186-R245 PolarHBondContact OE2-NH1 2.86Å
187	C	94.8	Very high	94.7	Very high	6 Å²	6	65.7 Å²	65.7	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.4	-173.7	77	0	0	0	0	113.3	V146 Y181 F182 A185	V146-C187 CarbonylContact O-C 3.49Å; V146-C187 WeakPolarHBondContact O-CA 3.38Å; V146-C187 VanDerWaalsContact O-CB 3.29Å; V146-C187 WeakPolarHBondContact O-CB 3.38Å; Y181-C187 WeakPolarHBondContact CD2-O 3.41Å; F182-C187 PolarHBondContact N-O 2.69Å; F182-C187 PolarHBondContact O-N 3.49Å; A185-C187 VanDerWaalsContact C-N 3.26Å; A185-C187 PolarHBondContact O-N 3.47Å
188	Y	96.8	Very high	94.7	Very high	26 Å²	26	63.8 Å²	63.8	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.2	164.6	-70.1	-76.3	0	0	0	109.9	F145 V146 A148 V154 L156 I179 N180 Y181	F145-Y188 WeakPolarHBondContact CA-O 3.29Å; V146-Y188 PolarHBondContact N-O 2.79Å; V146-Y188 PolarHBondContact O-N 2.89Å; A148-Y188 HydrophobicContact CB-CD2 3.65Å; A148-Y188 HydrophobicContact CB-CE2 3.52Å; V154-Y188 HydrophobicContact CB-CE2 4.1Å; V154-Y188 HydrophobicContact CG2-CE2 3.85Å; L156-Y188 HydrophobicContact CD2-CD1 4.33Å; L156-Y188 HydrophobicContact CD2-CE1 3.79Å; I179-Y188 HydrophobicContact CG2-CD1 3.84Å; I179-Y188 HydrophobicContact CG2-CG 4.44Å; N180-Y188 CarbonylContact O-C 3.56Å; N180-Y188 WeakPolarHBondContact O-CA 3.37Å; Y181-Y188 AromaticContact CD2-CD1 3.72Å; Y181-Y188 HydrophobicContact CD2-CD1 3.72Å; Y181-Y188 HydrophobicContact CD2-CD2 4.19Å; Y181-Y188 AromaticContact CD2-CE1 3.6Å; Y181-Y188 HydrophobicContact CD2-CE1 3.6Å; Y181-Y188 HydrophobicContact CD2-CE2 4.08Å; Y181-Y188 HydrophobicContact CD2-CG 4.01Å; Y181-Y188 AromaticContact CD2-CZ 3.79Å; Y181-Y188 HydrophobicContact CE2-CE2 4.38Å; Y181-Y188 HydrophobicContact CG-CD1 4.32Å; Y181-Y188 HydrophobicContact CG-CE1 4.1Å
189	R	96.8	Very high	94.5	Very high	54 Å²	54	66.1 Å²	66.1	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.2	161	172.6	-176.9	169.1	-126.2	-0.7	108.8	E143 I144 F145 I179 N180 F182	E143-R189 IonicContact OE1-CZ 2.69Å; E143-R189 IonicContact OE1-NE 3.4Å; E143-R189 PolarHBondContact OE1-NE 2.75Å; E143-R189 IonicContact OE1-NH2 2.75Å; E143-R189 PolarHBondContact OE1-NH2 3.18Å; E143-R189 IonicContact OE2-CZ 3.03Å; E143-R189 IonicContact OE2-NE 3.68Å; E143-R189 PolarHBondContact OE2-NE 2.62Å; E143-R189 IonicContact OE2-NH2 2.59Å; I144-R189 CarbonylContact O-C 3.52Å; I144-R189 VanDerWaalsContact O-CA 3.32Å; I144-R189 WeakPolarHBondContact O-CA 3.42Å; F145-R189 HydrophobicContact CD1-CB 4.04Å; F145-R189 HydrophobicContact CD1-CG 4.48Å; F145-R189 HydrophobicContact CE1-CB 3.79Å; F145-R189 HydrophobicContact CE1-CG 3.9Å; F145-R189 HydrophobicContact CZ-CB 4.4Å; F145-R189 HydrophobicContact CZ-CG 4Å; I179-R189 WeakPolarHBondContact CA-O 3.35Å; N180-R189 PolarHBondContact N-O 2.88Å; N180-R189 PolarHBondContact O-N 3.03Å; F182-R189 HydrophobicContact CD2-CB 4Å; F182-R189 HydrophobicContact CE2-CB 3.46Å; F182-R189 VanDerWaalsContact CE2-CB 3.46Å; F182-R189 HydrophobicContact CE2-CG 4.2Å
190	I	97.8	Very high	94.4	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.4	175.1	-56.3	164.6	0	0	0	107	I144 V146 I159 I176 I179 L192 L204 F206	I144-I190 HydrophobicContact CB-CB 4.23Å; I144-I190 PolarHBondContact N-O 2.85Å; I144-I190 PolarHBondContact O-N 3.06Å; V146-I190 HydrophobicContact CG1-CD1 4.23Å; I159-I190 HydrophobicContact CG2-CD1 3.98Å; I176-I190 HydrophobicContact CD1-CG2 4Å; I176-I190 HydrophobicContact CG1-CG2 3.99Å; I176-I190 HydrophobicContact CG2-CG2 3.77Å; I179-I190 HydrophobicContact CG1-CG1 4.47Å; I179-I190 HydrophobicContact CG1-CG2 4.41Å; I179-I190 HydrophobicContact CG2-CG1 4.26Å; I190-L192 HydrophobicContact CG2-CD2 4.19Å; I190-L204 HydrophobicContact CD1-CD1 4.21Å; I190-L204 HydrophobicContact CD1-CD2 4.4Å; I190-F206 HydrophobicContact CD1-CE1 4.27Å; I190-F206 HydrophobicContact CD1-CZ 3.99Å
191	K	97.9	Very high	94.4	Very high	57 Å²	57	66.9 Å²	66.9	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	176.4	-168.4	-175.4	-179	-156.1	0	109.2	T142 I176 E177 D178	T142-K191 CarbonylContact O-C 3.53Å; T142-K191 WeakPolarHBondContact O-CA 3.3Å; I176-K191 CarbonylContact C-O 3.55Å; E177-K191 HydrophobicContact CB-CB 4.48Å; E177-K191 HydrophobicContact CB-CD 4.47Å; E177-K191 HydrophobicContact CB-CG 4.36Å; E177-K191 HydrophobicContact CG-CD 4.49Å; E177-K191 PolarHBondContact N-O 3.38Å; E177-K191 IonicContact OE1-NZ 3.76Å; E177-K191 PolarHBondContact OE1-NZ 3.11Å; E177-K191 WeakPolarHBondContact OE2-CD 3.34Å; E177-K191 WeakPolarHBondContact OE2-CE 3.31Å; E177-K191 IonicContact OE2-NZ 3.84Å; E177-K191 PolarHBondContact OE2-NZ 3.37Å; D178-K191 HydrophobicContact CB-CB 4.25Å; D178-K191 PolarHBondContact N-O 2.83Å; D178-K191 PolarHBondContact O-N 2.77Å
192	L	97.5	Very high	94.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.7	-180	-54.2	174.1	0	0	0	110	T142 I144 M161 I174 I176 I190 M194 L196	T142-L192 PolarHBondContact O-N 3.23Å; I144-L192 HydrophobicContact CD1-CD1 4.14Å; I144-L192 HydrophobicContact CG1-CD1 4.34Å; M161-L192 HydrophobicContact CB-CD2 4.42Å; I174-L192 HydrophobicContact CG2-CB 4.26Å; I174-L192 HydrophobicContact CG2-CD1 4.28Å; I174-L192 HydrophobicContact CG2-CD2 4.18Å; I174-L192 HydrophobicContact CG2-CG 4.49Å; I176-L192 HydrophobicContact CG1-CD2 4.06Å; I190-L192 HydrophobicContact CG2-CD2 4.19Å; L192-M194 VanDerWaalsContact C-N 3.25Å; L192-M194 WeakPolarHBondContact CB-O 3.46Å; L192-M194 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CD1-CD1 4.08Å; L192-L196 HydrophobicContact CD1-CD2 3.47Å; L192-L196 VanDerWaalsContact CD1-CD2 3.47Å; L192-L196 HydrophobicContact CD1-CG 3.57Å
193	K	95.9	Very high	94.6	Very high	122 Å²	122	62 Å²	62	53%	0.53	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-25.2	175.9	-69.3	-167.4	-175.5	174.1	0	113.7	E175 E177	E175-K193 HydrophobicContact CB-CB 4.35Å; E175-K193 HydrophobicContact CB-CD 3.82Å; E175-K193 HydrophobicContact CB-CG 4.11Å; E175-K193 PolarHBondContact O-N 2.76Å; E175-K193 VanDerWaalsContact OE2-CD 3.29Å; E175-K193 WeakPolarHBondContact OE2-CD 3.16Å; E175-K193 VanDerWaalsContact OE2-CE 3.31Å; E175-K193 WeakPolarHBondContact OE2-CE 3.25Å; E175-K193 IonicContact OE2-NZ 2.87Å; E175-K193 PolarHBondContact OE2-NZ 2.84Å; E177-K193 HydrophobicContact CB-CG 3.8Å; E177-K193 HydrophobicContact CG-CG 4.28Å
194	M	93.9	Very high	95	Very high	135 Å²	135	57.1 Å²	57.1	67%	0.665	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	143	179.2	-64.6	-173.3	74.6	0	0	110	L192	L192-M194 VanDerWaalsContact C-N 3.25Å; L192-M194 WeakPolarHBondContact CB-O 3.46Å; L192-M194 PolarHBondContact O-N 3.24Å
195	P	95	Very high	95.6	Very high	72 Å²	72	51.8 Å²	51.8	47%	0.468	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.3	178.4	26.3	-33.3	0	0	0	110.9	T141 T142	T141-P195 CarbonylContact O-C 3.37Å; T141-P195 WeakPolarHBondContact O-CA 3.47Å; T142-P195 HydrophobicContact CG2-CB 3.89Å
196	L	95.5	Very high	96.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.8	165.4	-58.3	-178.9	0	0	0	108.9	L104 C137 S140 T141 I144 M161 I174 L192 Y202	L104-L196 HydrophobicContact CD1-CD1 4.05Å; L104-L196 HydrophobicContact CD2-CD1 3.87Å; L104-L196 HydrophobicContact CG-CD1 4.46Å; C137-L196 HydrophobicContact CB-CB 4.25Å; C137-L196 VanDerWaalsContact SG-CB 3.58Å; S140-L196 VanDerWaalsContact CA-O 3.31Å; S140-L196 WeakPolarHBondContact CA-O 3.33Å; S140-L196 PolarHBondContact OG-O 3.43Å; T141-L196 HydrophobicContact CG2-CD1 4.27Å; T141-L196 PolarHBondContact O-N 3.3Å; I144-L196 HydrophobicContact CD1-CD1 4.36Å; M161-L196 HydrophobicContact CE-CD1 3.47Å; M161-L196 VanDerWaalsContact CE-CD1 3.47Å; M161-L196 HydrophobicContact CE-CD2 3.67Å; M161-L196 HydrophobicContact CE-CG 4.23Å; M161-L196 HydrophobicContact CG-CD2 4.33Å; I174-L196 HydrophobicContact CD1-CD2 3.56Å; L192-L196 HydrophobicContact CD1-CD1 4.08Å; L192-L196 HydrophobicContact CD1-CD2 3.47Å; L192-L196 VanDerWaalsContact CD1-CD2 3.47Å; L192-L196 HydrophobicContact CD1-CG 3.57Å; L196-Y202 HydrophobicContact CB-CE2 3.98Å; L196-Y202 HydrophobicContact CD1-CD2 4.44Å; L196-Y202 HydrophobicContact CD1-CE2 4.49Å; L196-Y202 HydrophobicContact CD2-CD1 3.92Å; L196-Y202 HydrophobicContact CD2-CD2 4.37Å; L196-Y202 HydrophobicContact CD2-CE1 3.72Å; L196-Y202 HydrophobicContact CD2-CE2 4.17Å; L196-Y202 HydrophobicContact CD2-CG 4.28Å; L196-Y202 HydrophobicContact CG-CE2 4.44Å
197	R	93.7	Very high	96.4	Very high	189 Å²	189	51 Å²	51	71%	0.713	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-66.8	137.6	172.1	-60	178.7	-174.6	170.5	2.3	110.2	C137 T200 Y202	C137-R197 WeakPolarHBondContact CB-O 2.99Å; C137-R197 PolarHBondContact SG-O 2.94Å; C137-R197 VanDerWaalsContact SG-O 3.32Å; R197-T200 WeakPolarHBondContact O-CB 3.31Å; R197-T200 PolarHBondContact O-OG1 3.17Å; R197-Y202 WeakPolarHBondContact CB-OH 3.19Å; R197-Y202 PolarHBondContact N-OH 3.33Å; R197-Y202 PolarHBondContact O-OH 3.11Å
198	P	95.2	Very high	96.5	Very high	60 Å²	60	55 Å²	55	39%	0.39	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	162.6	173.7	29.2	-34	0	0	0	110.7	C137 T200	C137-P198 CarbonylContact O-C 3.06Å; P198-T200 PolarHBondContact O-N 2.78Å; P198-T200 VanDerWaalsContact O-N 3.11Å; P198-T200 PolarHBondContact O-OG1 2.96Å
199	N	94.3	Very high	96.6	Very high	116 Å²	116	53.8 Å²	53.8	62%	0.62	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	30.8	-178.4	-59.6	-55.8	0	0	0	114.7	F136 C137	F136-N199 HydrophobicContact CE2-CB 4.47Å; F136-N199 HydrophobicContact CZ-CB 4.26Å; C137-N199 WeakPolarHBondContact O-CA 3.2Å; C137-N199 PolarHBondContact O-N 3.47Å
200	T	94.9	Very high	96.7	Very high	30 Å²	30	52.7 Å²	52.7	18%	0.184	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.8	-173.1	-55	0	0	0	0	111.3	C137 R197 P198 Y202	C137-T200 WeakPolarHBondContact CB-O 3.34Å; C137-T200 PolarHBondContact N-O 2.73Å; C137-T200 PolarHBondContact O-N 3.22Å; R197-T200 WeakPolarHBondContact O-CB 3.31Å; R197-T200 PolarHBondContact O-OG1 3.17Å; P198-T200 PolarHBondContact O-N 2.78Å; P198-T200 VanDerWaalsContact O-N 3.11Å; P198-T200 PolarHBondContact O-OG1 2.96Å; T200-Y202 HydrophobicContact CG2-CD2 4.5Å; T200-Y202 HydrophobicContact CG2-CE1 4.41Å; T200-Y202 HydrophobicContact CG2-CE2 3.73Å; T200-Y202 WeakPolarHBondContact O-CD2 3.41Å; T200-Y202 WeakPolarHBondContact O-CE2 3.37Å
201	Y	95.9	Very high	96.7	Very high	82 Å²	82	53.4 Å²	53.4	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145	176.2	-72.4	-84.5	0	0	0	112.4	H107 K134 V135 F136 L164	H107-Y201 HydrophobicContact CB-CE1 4.35Å; H107-Y201 AromaticContact CD2-CE1 3.82Å; H107-Y201 AromaticContact CG-CE1 3.79Å; K134-Y201 HydrophobicContact CD-CD1 4.31Å; K134-Y201 HydrophobicContact CG-CD1 4.05Å; V135-Y201 CarbonylContact O-C 3.56Å; V135-Y201 VanDerWaalsContact O-CA 3.31Å; V135-Y201 WeakPolarHBondContact O-CA 3.42Å; F136-Y201 HydrophobicContact CB-CD1 3.98Å; F136-Y201 HydrophobicContact CB-CE1 3.72Å; F136-Y201 HydrophobicContact CD2-CD1 4.19Å; F136-Y201 HydrophobicContact CD2-CD2 4.12Å; F136-Y201 AromaticContact CD2-CE1 3.9Å; F136-Y201 HydrophobicContact CD2-CE1 3.9Å; F136-Y201 AromaticContact CD2-CE2 3.78Å; F136-Y201 HydrophobicContact CD2-CE2 3.78Å; F136-Y201 HydrophobicContact CD2-CG 4.31Å; F136-Y201 AromaticContact CD2-CZ 3.67Å; F136-Y201 HydrophobicContact CE2-CE2 4.26Å; F136-Y201 HydrophobicContact CG-CE1 4.23Å; L164-Y201 WeakPolarHBondContact CB-O 3.49Å; L164-Y201 PolarHBondContact N-O 2.79Å
202	Y	96.5	Very high	96.5	Very high	8 Å²	8	55.5 Å²	55.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.7	176.2	-57.6	-96.3	0	0	0	110.3	K134 V135 C137 M161 V162 P163 I174 L196 R197 T200	K134-Y202 CarbonylContact C-O 3.58Å; K134-Y202 WeakPolarHBondContact CA-O 3.44Å; V135-Y202 PolarHBondContact N-O 2.89Å; V135-Y202 PolarHBondContact O-N 2.59Å; C137-Y202 HydrophobicContact CB-CD2 4.12Å; C137-Y202 HydrophobicContact CB-CE2 3.71Å; M161-Y202 HydrophobicContact CE-CD1 4Å; M161-Y202 HydrophobicContact CE-CD2 4.05Å; M161-Y202 HydrophobicContact CE-CG 3.5Å; M161-Y202 VanDerWaalsContact CE-CG 3.5Å; M161-Y202 HydrophobicContact SD-CG 4.41Å; V162-Y202 CarbonylContact O-C 3.56Å; V162-Y202 VanDerWaalsContact O-CA 3.28Å; V162-Y202 WeakPolarHBondContact O-CA 3.38Å; P163-Y202 VanDerWaalsContact CA-CD1 3.46Å; P163-Y202 HydrophobicContact CB-CD1 3.9Å; P163-Y202 HydrophobicContact CB-CE1 3.82Å; I174-Y202 HydrophobicContact CD1-CD1 3.73Å; I174-Y202 HydrophobicContact CD1-CE1 3.56Å; L196-Y202 HydrophobicContact CB-CE2 3.98Å; L196-Y202 HydrophobicContact CD1-CD2 4.44Å; L196-Y202 HydrophobicContact CD1-CE2 4.49Å; L196-Y202 HydrophobicContact CD2-CD1 3.92Å; L196-Y202 HydrophobicContact CD2-CD2 4.37Å; L196-Y202 HydrophobicContact CD2-CE1 3.72Å; L196-Y202 HydrophobicContact CD2-CE2 4.17Å; L196-Y202 HydrophobicContact CD2-CG 4.28Å; L196-Y202 HydrophobicContact CG-CE2 4.44Å; R197-Y202 WeakPolarHBondContact CB-OH 3.19Å; R197-Y202 PolarHBondContact N-OH 3.33Å; R197-Y202 PolarHBondContact O-OH 3.11Å; T200-Y202 HydrophobicContact CG2-CD2 4.5Å; T200-Y202 HydrophobicContact CG2-CE1 4.41Å; T200-Y202 HydrophobicContact CG2-CE2 3.73Å; T200-Y202 WeakPolarHBondContact O-CD2 3.41Å; T200-Y202 WeakPolarHBondContact O-CE2 3.37Å
203	N	97.3	Very high	96.4	Very high	48 Å²	48	56 Å²	56	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.2	165.3	-84.1	-9.7	0	0	0	109	T132 I133 M161 V162 L164	T132-N203 HydrophobicContact CG2-CB 4.01Å; I133-N203 WeakPolarHBondContact O-CA 3.49Å; M161-N203 WeakPolarHBondContact CA-O 3.5Å; V162-N203 PolarHBondContact N-O 2.81Å; V162-N203 PolarHBondContact O-N 2.82Å; L164-N203 WeakPolarHBondContact CD1-OD1 3.5Å
204	L	98.1	Very high	96.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.7	167.2	179.5	62.5	0	0	0	108.6	I133 I144 I159 Q160 M161 I190 F206 W251	I133-L204 PolarHBondContact N-O 3Å; I133-L204 PolarHBondContact O-N 2.83Å; I144-L204 HydrophobicContact CG2-CD2 4.12Å; I159-L204 HydrophobicContact CG2-CD1 4.04Å; Q160-L204 CarbonylContact O-C 3.33Å; Q160-L204 WeakPolarHBondContact O-CA 3.4Å; M161-L204 HydrophobicContact CB-CD1 4.42Å; M161-L204 HydrophobicContact SD-CB 3.87Å; M161-L204 HydrophobicContact SD-CD1 4.17Å; I190-L204 HydrophobicContact CD1-CD1 4.21Å; I190-L204 HydrophobicContact CD1-CD2 4.4Å; L204-F206 HydrophobicContact CD1-CE2 4.44Å; L204-F206 HydrophobicContact CD2-CE2 3.66Å; L204-F206 HydrophobicContact CD2-CZ 3.9Å; L204-F206 HydrophobicContact CG-CD2 4.44Å; L204-F206 HydrophobicContact CG-CE2 3.67Å; L204-F206 HydrophobicContact CG-CZ 4.13Å; L204-W251 HydrophobicContact CD2-CH2 4.05Å; L204-W251 HydrophobicContact CD2-CZ3 4.41Å
205	T	98.5	Very high	96	Very high	28 Å²	28	52.8 Å²	52.8	17%	0.172	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	-176.1	-53.2	0	0	0	0	109.9	V131 T132 I159 Q160	V131-T205 WeakPolarHBondContact O-CA 3.37Å; T132-T205 WeakPolarHBondContact OG1-CG2 3.13Å; T132-T205 PolarHBondContact OG1-OG1 2.98Å; I159-T205 CarbonylContact C-O 3.5Å; I159-T205 VanDerWaalsContact CA-O 3.24Å; I159-T205 WeakPolarHBondContact CA-O 3.45Å; Q160-T205 PolarHBondContact N-O 2.88Å; Q160-T205 PolarHBondContact O-N 2.94Å
206	F	98.6	Very high	95.8	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	95.6	163.5	-62.5	-94.9	0	0	0	106.9	S130 V131 I133 V146 V154 I159 I190 L204 Q208 F209 P249	S130-F206 WeakPolarHBondContact CA-O 3.42Å; V131-F206 HydrophobicContact CG1-CB 4.01Å; V131-F206 HydrophobicContact CG1-CD2 3.95Å; V131-F206 HydrophobicContact CG1-CG 4.36Å; V131-F206 PolarHBondContact N-O 2.86Å; V131-F206 PolarHBondContact O-N 2.66Å; I133-F206 HydrophobicContact CD1-CD2 4.25Å; I133-F206 HydrophobicContact CD1-CE2 3.98Å; V146-F206 HydrophobicContact CB-CZ 4.43Å; V146-F206 HydrophobicContact CG1-CE1 4.35Å; V146-F206 HydrophobicContact CG1-CZ 3.8Å; V146-F206 HydrophobicContact CG2-CE2 4.32Å; V146-F206 HydrophobicContact CG2-CZ 4.08Å; V154-F206 HydrophobicContact CG1-CD1 3.8Å; V154-F206 HydrophobicContact CG1-CE1 4.48Å; I159-F206 HydrophobicContact CD1-CD1 3.83Å; I159-F206 HydrophobicContact CD1-CE1 3.67Å; I159-F206 HydrophobicContact CG1-CD1 3.72Å; I159-F206 HydrophobicContact CG1-CE1 3.97Å; I159-F206 HydrophobicContact CG2-CE1 4.34Å; I190-F206 HydrophobicContact CD1-CE1 4.27Å; I190-F206 HydrophobicContact CD1-CZ 3.99Å; L204-F206 HydrophobicContact CD1-CE2 4.44Å; L204-F206 HydrophobicContact CD2-CE2 3.66Å; L204-F206 HydrophobicContact CD2-CZ 3.9Å; L204-F206 HydrophobicContact CG-CD2 4.44Å; L204-F206 HydrophobicContact CG-CE2 3.67Å; L204-F206 HydrophobicContact CG-CZ 4.13Å; F206-Q208 VanDerWaalsContact C-N 3.26Å; F206-Q208 PolarHBondContact O-N 2.97Å; F206-F209 HydrophobicContact CB-CD1 4.47Å; F206-P249 HydrophobicContact CB-CG 4.16Å; F206-P249 HydrophobicContact CD1-CB 3.8Å; F206-P249 HydrophobicContact CD1-CG 3.64Å; F206-P249 HydrophobicContact CD2-CB 3.81Å; F206-P249 HydrophobicContact CD2-CG 4.21Å; F206-P249 HydrophobicContact CE1-CB 3.8Å; F206-P249 HydrophobicContact CE1-CG 4.08Å; F206-P249 HydrophobicContact CE2-CB 3.81Å; F206-P249 HydrophobicContact CG-CB 3.83Å; F206-P249 HydrophobicContact CG-CG 3.72Å; F206-P249 HydrophobicContact CZ-CB 3.82Å
207	G	98.5	Very high	95.5	Very high	35 Å²	35	53.7 Å²	53.7	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-19.9	-169.2	0	0	0	0	0	114.7	S130 K158	S130-G207 WeakPolarHBondContact CB-O 3.35Å; K158-G207 PolarHBondContact O-N 2.87Å
208	Q	98.7	Very high	95.5	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	131.4	177.2	-173.6	174.7	-6.7	0	0	111.8	G129 K155 K158 F206	G129-Q208 CarbonylContact O-C 3.54Å; G129-Q208 VanDerWaalsContact O-CA 3.31Å; G129-Q208 WeakPolarHBondContact O-CA 3.34Å; K155-Q208 HydrophobicContact CB-CB 4.1Å; K155-Q208 HydrophobicContact CG-CB 3.92Å; K155-Q208 HydrophobicContact CG-CG 3.91Å; K155-Q208 PolarHBondContact N-O 2.98Å; K158-Q208 HydrophobicContact CG-CB 4.45Å; F206-Q208 VanDerWaalsContact C-N 3.26Å; F206-Q208 PolarHBondContact O-N 2.97Å
209	F	98.7	Very high	95.6	Very high	1 Å²	1	44 Å²	44	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160	165.6	54.1	-101	0	0	0	111.2	L111 I113 F127 N128 G129 V131 L152 D153 V154 F206 V247 F248 P249	L111-F209 HydrophobicContact CD1-CZ 4Å; I113-F209 HydrophobicContact CD1-CE2 3.6Å; I113-F209 HydrophobicContact CD1-CZ 3.81Å; F127-F209 HydrophobicContact CE2-CD2 4.33Å; F127-F209 HydrophobicContact CE2-CE2 4.21Å; N128-F209 CarbonylContact C-O 3.49Å; N128-F209 VanDerWaalsContact CA-O 3.22Å; N128-F209 WeakPolarHBondContact CA-O 3.46Å; N128-F209 WeakPolarHBondContact CB-O 3.37Å; G129-F209 VanDerWaalsContact C-CZ 3.49Å; G129-F209 PolarHBondContact N-O 2.83Å; G129-F209 PolarHBondContact O-N 2.79Å; V131-F209 HydrophobicContact CB-CE1 4.18Å; V131-F209 HydrophobicContact CG1-CE1 3.97Å; L152-F209 HydrophobicContact CD1-CB 4.18Å; L152-F209 HydrophobicContact CD1-CD2 3.86Å; L152-F209 HydrophobicContact CD1-CG 4.32Å; L152-F209 HydrophobicContact CG-CB 4.22Å; D153-F209 CarbonylContact O-C 3.58Å; D153-F209 WeakPolarHBondContact O-CA 3.28Å; V154-F209 HydrophobicContact CG2-CB 4.13Å; F206-F209 HydrophobicContact CB-CD1 4.47Å; F209-V247 WeakPolarHBondContact CE2-O 3.34Å; F209-F248 HydrophobicContact CE1-CB 3.94Å; F209-F248 HydrophobicContact CE2-CB 4.07Å; F209-F248 HydrophobicContact CZ-CB 3.54Å; F209-P249 HydrophobicContact CD1-CG 4.4Å
210	C	98.2	Very high	95.7	Very high	31 Å²	31	38.8 Å²	38.8	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.6	-178.9	-169.4	0	0	0	0	111.4	F127 N128 D153	F127-C210 WeakPolarHBondContact O-CA 3.31Å; F127-C210 PolarHBondContact O-SG 2.8Å; N128-C210 HydrophobicContact CB-CB 4.29Å; D153-C210 PolarHBondContact N-O 3.43Å; D153-C210 PolarHBondContact O-N 2.84Å
211	S	97.1	Very high	95.8	Very high	15 Å²	15	37.5 Å²	37.5	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.9	168.7	176.4	0	0	0	0	110.6	F126 F127	F126-S211 WeakPolarHBondContact CA-O 3.25Å; F126-S211 WeakPolarHBondContact CB-O 3.36Å; F127-S211 WeakPolarHBondContact CD1-O 3.48Å; F127-S211 PolarHBondContact N-O 2.96Å; F127-S211 PolarHBondContact O-N 2.81Å
212	D	94.8	Very high	95.7	Very high	101 Å²	101	33.8 Å²	33.8	54%	0.54	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	148.5	172.5	-65.1	-31	0	0	0	111.1
213	L	94.6	Very high	95.6	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.063	18%	0.184	C	C	.	.			trans	-91.8	129.8	168.4	-62.8	173	0	0	0	108.7	V115 L117 F125 F127 L220 L222 A235	V115-L213 HydrophobicContact CG1-CD1 4.03Å; L117-L213 HydrophobicContact CD2-CD1 4.03Å; F125-L213 HydrophobicContact CB-CB 3.89Å; F125-L213 HydrophobicContact CB-CD1 4.12Å; F125-L213 HydrophobicContact CB-CG 4.48Å; F125-L213 PolarHBondContact O-N 3.44Å; F127-L213 HydrophobicContact CD1-CD2 3.66Å; F127-L213 HydrophobicContact CD1-CG 4.3Å; F127-L213 HydrophobicContact CE1-CD2 4.35Å; L213-L220 HydrophobicContact CD2-CB 4.26Å; L213-L220 HydrophobicContact CD2-CD2 4.07Å; L213-L220 HydrophobicContact CD2-CG 3.67Å; L213-L220 WeakPolarHBondContact CD2-O 3.46Å; L213-L222 HydrophobicContact CB-CB 4.19Å; L213-A235 HydrophobicContact CD1-CB 4.33Å
214	N	91.7	Very high	95.3	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	19%	0.187	S	C	.	.			trans	-133.7	174	177	65.8	64	0	0	0	110.5	V216 Y221 L222	N214-V216 VanDerWaalsContact C-N 3.29Å; N214-V216 PolarHBondContact O-N 2.78Å; N214-V216 WeakPolarHBondContact OD1-CA 3.43Å; N214-V216 WeakPolarHBondContact OD1-CB 3.31Å; N214-V216 WeakPolarHBondContact OD1-CG2 3.17Å; N214-V216 PolarHBondContact OD1-N 2.87Å; N214-V216 PolarHBondContact OD1-O 2.83Å; N214-Y221 WeakPolarHBondContact O-CB 3.4Å; N214-L222 PolarHBondContact O-N 3.45Å
215	Y	90.7	Very high	94.8	Very high	115 Å²	115	35.7 Å²	35.7	45%	0.451	19%	0.188	S	C	.	.	S	Bend	trans	-83.9	1.3	-176.4	-61.3	-77.4	0	0	0	114.3	S217 L222 R224	Y215-S217 PolarHBondContact O-N 2.9Å; Y215-L222 HydrophobicContact CD1-CB 4.32Å; Y215-L222 HydrophobicContact CD1-CD2 4.31Å; Y215-L222 HydrophobicContact CD1-CG 4.33Å; Y215-L222 VanDerWaalsContact CD1-O 3.31Å; Y215-L222 WeakPolarHBondContact CD1-O 3.43Å; Y215-L222 HydrophobicContact CE1-CB 4.35Å; Y215-L222 HydrophobicContact CE1-CD2 3.64Å; Y215-L222 HydrophobicContact CE1-CG 3.87Å; Y215-L222 HydrophobicContact CE2-CD2 4.11Å; Y215-R224 HydrophobicContact CE1-CB 4.44Å; Y215-R224 HydrophobicContact CE1-CG 4.04Å
216	V	89.7	Confident	94.1	Very high	83 Å²	83	36.4 Å²	36.4	50%	0.503	19%	0.19	S	C	.	.	S	Bend	trans	-76.5	119.9	173.2	-173.4	0	0	0	0	107	N214 E218 Y221	N214-V216 VanDerWaalsContact C-N 3.29Å; N214-V216 PolarHBondContact O-N 2.78Å; N214-V216 WeakPolarHBondContact OD1-CA 3.43Å; N214-V216 WeakPolarHBondContact OD1-CB 3.31Å; N214-V216 WeakPolarHBondContact OD1-CG2 3.17Å; N214-V216 PolarHBondContact OD1-N 2.87Å; N214-V216 PolarHBondContact OD1-O 2.83Å; V216-E218 HydrophobicContact CG1-CB 4.28Å; V216-E218 HydrophobicContact CG1-CG 3.85Å; V216-E218 PolarHBondContact O-N 3.34Å; V216-Y221 WeakPolarHBondContact O-CB 3.38Å
217	S	90.7	Very high	93.4	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.063	20%	0.202	C	C	.	.	S	Bend	trans	-75.2	59.4	-177.7	-42.6	0	0	0	0	112.5	Y215 Q238 S372	Y215-S217 PolarHBondContact O-N 2.9Å; S217-Q238 WeakPolarHBondContact O-CB 3.42Å; S217-Q238 WeakPolarHBondContact O-CG 3.5Å; S217-S372 VanDerWaalsContact CB-OG 3.25Å; S217-S372 WeakPolarHBondContact CB-OG 3.1Å; S217-S372 PolarHBondContact OG-OG 2.9Å; S217-S372 VanDerWaalsContact OG-OG 3.13Å
218	E	93.4	Very high	92.6	Very high	44 Å²	44	44.7 Å²	44.7	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	-134.5	118.9	177.3	-61.9	-175.4	168.4	0	0	109.2	V216 Y243 R246 K488	V216-E218 HydrophobicContact CG1-CB 4.28Å; V216-E218 HydrophobicContact CG1-CG 3.85Å; V216-E218 PolarHBondContact O-N 3.34Å; E218-Y243 HydrophobicContact CB-CD1 4.18Å; E218-Y243 HydrophobicContact CB-CD2 3.87Å; E218-Y243 HydrophobicContact CB-CE1 4.23Å; E218-Y243 HydrophobicContact CB-CE2 3.95Å; E218-Y243 HydrophobicContact CB-CG 3.99Å; E218-Y243 HydrophobicContact CG-CD1 4.42Å; E218-Y243 HydrophobicContact CG-CD2 4.01Å; E218-Y243 HydrophobicContact CG-CE1 3.98Å; E218-Y243 HydrophobicContact CG-CE2 3.54Å; E218-Y243 HydrophobicContact CG-CG 4.43Å; E218-Y243 PolarHBondContact OE1-OH 3.46Å; E218-R246 IonicContact OE2-CZ 3.4Å; E218-R246 IonicContact OE2-NE 3.89Å; E218-R246 IonicContact OE2-NH1 3.78Å; E218-R246 IonicContact OE2-NH2 2.65Å; E218-R246 PolarHBondContact OE2-NH2 3.1Å; E218-K488 IonicContact OE1-NZ 3.86Å; E218-K488 PolarHBondContact OE1-NZ 3.4Å; E218-K488 IonicContact OE2-NZ 2.68Å
219	G	96.6	Very high	91.6	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-143.2	-174.8	0	0	0	0	0	111.6	T237 Q238	G219-T237 CarbonylContact O-C 3.6Å; G219-T237 VanDerWaalsContact O-CA 3.24Å; G219-T237 WeakPolarHBondContact O-CA 3.37Å; G219-Q238 WeakPolarHBondContact CA-O 3.42Å; G219-Q238 PolarHBondContact N-O 3.45Å; G219-Q238 PolarHBondContact O-N 2.84Å
220	L	97.6	Very high	91	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.3	171.5	-178	64.1	0	0	0	107.8	I113 V115 F127 L213 A235 T237 V247 I306	I113-L220 HydrophobicContact CG2-CD2 4.16Å; V115-L220 HydrophobicContact CG2-CD2 4.18Å; F127-L220 HydrophobicContact CB-CD2 3.87Å; F127-L220 HydrophobicContact CD1-CB 4.28Å; F127-L220 HydrophobicContact CD1-CD2 3.72Å; F127-L220 HydrophobicContact CD1-CG 4.31Å; F127-L220 HydrophobicContact CD2-CD2 4.25Å; F127-L220 HydrophobicContact CE1-CB 4.08Å; F127-L220 HydrophobicContact CE1-CD2 4.29Å; F127-L220 HydrophobicContact CG-CD2 3.67Å; L213-L220 HydrophobicContact CD2-CB 4.26Å; L213-L220 HydrophobicContact CD2-CD2 4.07Å; L213-L220 HydrophobicContact CD2-CG 3.67Å; L213-L220 WeakPolarHBondContact CD2-O 3.46Å; L220-A235 HydrophobicContact CD1-CB 4.13Å; L220-T237 HydrophobicContact CB-CG2 4.28Å; L220-T237 HydrophobicContact CD1-CG2 3.68Å; L220-V247 HydrophobicContact CB-CG1 4.2Å; L220-V247 HydrophobicContact CB-CG2 3.91Å; L220-I306 HydrophobicContact CD1-CG2 4.33Å
221	Y	95.7	Very high	90.4	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.8	-170.3	70.5	-93.4	0	0	0	112.2	N214 V216 A235 S236 Q238 I373	N214-Y221 WeakPolarHBondContact O-CB 3.4Å; V216-Y221 WeakPolarHBondContact O-CB 3.38Å; Y221-A235 VanDerWaalsContact O-CA 3.28Å; Y221-A235 WeakPolarHBondContact O-CA 3.42Å; Y221-S236 WeakPolarHBondContact CD1-O 3.23Å; Y221-S236 WeakPolarHBondContact CE1-O 3.32Å; Y221-S236 PolarHBondContact N-O 2.87Å; Y221-S236 PolarHBondContact O-N 3.08Å; Y221-Q238 HydrophobicContact CD1-CB 4.3Å; Y221-Q238 HydrophobicContact CE1-CB 3.95Å; Y221-I373 HydrophobicContact CE1-CD1 4.41Å
222	L	94.2	Very high	90.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.9	176.2	-171.2	70.4	0	0	0	110.1	L117 F125 L213 N214 Y215 Y233	L117-L222 HydrophobicContact CD2-CD1 3.76Å; F125-L222 HydrophobicContact CB-CD1 4.43Å; F125-L222 HydrophobicContact CB-CD2 4.44Å; F125-L222 HydrophobicContact CD2-CD1 4.1Å; F125-L222 HydrophobicContact CD2-CD2 3.33Å; F125-L222 HydrophobicContact CD2-CG 4.39Å; F125-L222 HydrophobicContact CE2-CD1 4.43Å; F125-L222 HydrophobicContact CE2-CD2 3.73Å; F125-L222 HydrophobicContact CG-CD1 4.13Å; F125-L222 HydrophobicContact CG-CD2 4.09Å; L213-L222 HydrophobicContact CB-CB 4.19Å; N214-L222 PolarHBondContact O-N 3.45Å; Y215-L222 HydrophobicContact CD1-CB 4.32Å; Y215-L222 HydrophobicContact CD1-CD2 4.31Å; Y215-L222 HydrophobicContact CD1-CG 4.33Å; Y215-L222 VanDerWaalsContact CD1-O 3.31Å; Y215-L222 WeakPolarHBondContact CD1-O 3.43Å; Y215-L222 HydrophobicContact CE1-CB 4.35Å; Y215-L222 HydrophobicContact CE1-CD2 3.64Å; Y215-L222 HydrophobicContact CE1-CG 3.87Å; Y215-L222 HydrophobicContact CE2-CD2 4.11Å; L222-Y233 HydrophobicContact CD1-CD1 4.15Å; L222-Y233 HydrophobicContact CD2-CD1 4.21Å; L222-Y233 HydrophobicContact CG-CD1 4.32Å
223	S	93.4	Very high	90	Very high	4 Å²	4	47 Å²	47	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	165.4	163.5	179.3	0	0	0	0	110.4	Y233 L234 P369	S223-Y233 WeakPolarHBondContact O-CA 3.31Å; S223-L234 PolarHBondContact N-O 2.82Å; S223-L234 PolarHBondContact O-N 2.95Å; S223-P369 PolarHBondContact OG-O 3.09Å
224	R	90.9	Very high	90.1	Very high	89 Å²	89	46.4 Å²	46.4	34%	0.336	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.3	-179.3	67	-179.4	-178	164.7	1	112.3	Y215 Y231 E232 Y233 N370	Y215-R224 HydrophobicContact CE1-CB 4.44Å; Y215-R224 HydrophobicContact CE1-CG 4.04Å; R224-Y231 HydrophobicContact CB-CD1 4.33Å; R224-Y231 HydrophobicContact CG-CD1 4.14Å; R224-Y231 HydrophobicContact CG-CE1 4.38Å; R224-E232 CarbonylContact C-O 3.56Å; R224-E232 WeakPolarHBondContact CA-O 3.28Å; R224-E232 WeakPolarHBondContact CB-O 3.48Å; R224-Y233 HydrophobicContact CB-CD1 3.95Å; R224-Y233 HydrophobicContact CB-CE1 4.12Å; R224-N370 PolarHBondContact O-ND2 2.87Å
225	Y	88.1	Confident	90.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.7	172.8	59.9	-78.9	0	0	0	110.3	E227 Y231 E232 L234 F311 R329 P369	Y225-E227 HydrophobicContact CD2-CB 4.41Å; Y225-E227 HydrophobicContact CE2-CB 4.08Å; Y225-Y231 WeakPolarHBondContact O-CA 3.14Å; Y225-E232 HydrophobicContact CD1-CB 4.17Å; Y225-E232 HydrophobicContact CD2-CB 4.2Å; Y225-E232 HydrophobicContact CE1-CB 3.64Å; Y225-E232 HydrophobicContact CE2-CB 3.69Å; Y225-E232 HydrophobicContact CE2-CG 4.16Å; Y225-E232 HydrophobicContact CG-CB 4.42Å; Y225-E232 PolarHBondContact N-O 3.35Å; Y225-E232 PolarHBondContact O-N 3.12Å; Y225-L234 HydrophobicContact CD1-CD2 3.89Å; Y225-L234 HydrophobicContact CE1-CD2 4.09Å; Y225-F311 HydrophobicContact CD1-CE1 4.12Å; Y225-F311 HydrophobicContact CE1-CD1 4.3Å; Y225-F311 AromaticContact CE1-CE1 3.6Å; Y225-F311 HydrophobicContact CE1-CE1 3.6Å; Y225-R329 HydrophobicContact CD2-CB 4Å; Y225-R329 HydrophobicContact CE2-CB 3.85Å; Y225-R329 HydrophobicContact CG-CB 4.48Å; Y225-P369 HydrophobicContact CD1-CG 4Å; Y225-P369 HydrophobicContact CG-CG 4.29Å
226	L	84.2	Confident	90.7	Very high	43 Å²	43	37.4 Å²	37.4	23%	0.225	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.9	176.2	-75.5	170.4	0	0	0	110.4	V230 Y231 S840	L226-V230 WeakPolarHBondContact CA-O 3.41Å; L226-Y231 HydrophobicContact CD1-CE1 4.49Å; L226-Y231 HydrophobicContact CD2-CD1 3.71Å; L226-Y231 HydrophobicContact CD2-CD2 4.16Å; L226-Y231 HydrophobicContact CD2-CE1 3.67Å; L226-Y231 HydrophobicContact CD2-CE2 4.13Å; L226-Y231 HydrophobicContact CD2-CG 3.95Å; L226-Y231 HydrophobicContact CG-CD1 4.06Å; L226-Y231 HydrophobicContact CG-CE1 3.78Å; L226-S840 PolarHBondContact O-OG 3.17Å
227	E	83.6	Confident	91	Very high	52 Å²	52	33.5 Å²	33.5	24%	0.243	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.2	170.6	-173.4	169.5	-167.2	0	0	108.6	Y225 G229 V230 E232	Y225-E227 HydrophobicContact CD2-CB 4.41Å; Y225-E227 HydrophobicContact CE2-CB 4.08Å; E227-G229 PolarHBondContact O-N 2.83Å; E227-G229 VanDerWaalsContact O-N 3.09Å; E227-V230 PolarHBondContact N-O 3.42Å; E227-V230 PolarHBondContact O-N 2.79Å; E227-E232 HydrophobicContact CB-CG 3.81Å
228	N	82.4	Confident	91.3	Very high	159 Å²	159	33.6 Å²	33.6	85%	0.85	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	33.9	-177.2	-57.5	-49.4	0	0	0	114.4	V230	N228-V230 VanDerWaalsContact C-N 3.3Å; N228-V230 PolarHBondContact O-N 2.98Å
229	G	78.4	Confident	91.5	Very high	54 Å²	54	31.5 Å²	31.5	56%	0.557	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	3.3	-179	0	0	0	0	0	115.1	E227	E227-G229 PolarHBondContact O-N 2.83Å; E227-G229 VanDerWaalsContact O-N 3.09Å
230	V	84.9	Confident	91.5	Very high	61 Å²	61	32.3 Å²	32.3	37%	0.37	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140	174.7	-178.1	0	0	0	0	109.1	L226 E227 N228 E232	L226-V230 WeakPolarHBondContact CA-O 3.41Å; E227-V230 PolarHBondContact N-O 3.42Å; E227-V230 PolarHBondContact O-N 2.79Å; N228-V230 VanDerWaalsContact C-N 3.3Å; N228-V230 PolarHBondContact O-N 2.98Å; V230-E232 PolarHBondContact O-N 2.84Å
231	Y	86.4	Confident	91.2	Very high	92 Å²	92	32.2 Å²	32.2	36%	0.361	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.1	173.1	-79.2	-68	0	0	0	110.4	R224 Y225 L226 Y233	R224-Y231 HydrophobicContact CB-CD1 4.33Å; R224-Y231 HydrophobicContact CG-CD1 4.14Å; R224-Y231 HydrophobicContact CG-CE1 4.38Å; Y225-Y231 WeakPolarHBondContact O-CA 3.14Å; L226-Y231 HydrophobicContact CD1-CE1 4.49Å; L226-Y231 HydrophobicContact CD2-CD1 3.71Å; L226-Y231 HydrophobicContact CD2-CD2 4.16Å; L226-Y231 HydrophobicContact CD2-CE1 3.67Å; L226-Y231 HydrophobicContact CD2-CE2 4.13Å; L226-Y231 HydrophobicContact CD2-CG 3.95Å; L226-Y231 HydrophobicContact CG-CD1 4.06Å; L226-Y231 HydrophobicContact CG-CE1 3.78Å; Y231-Y233 WeakPolarHBondContact O-CE2 3.47Å
232	E	90.4	Very high	91.1	Very high	36 Å²	36	32.3 Å²	32.3	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.8	167.9	-70.5	-64.4	149.6	0	0	109.6	R224 Y225 E227 V230 R310	R224-E232 CarbonylContact C-O 3.56Å; R224-E232 WeakPolarHBondContact CA-O 3.28Å; R224-E232 WeakPolarHBondContact CB-O 3.48Å; Y225-E232 HydrophobicContact CD1-CB 4.17Å; Y225-E232 HydrophobicContact CD2-CB 4.2Å; Y225-E232 HydrophobicContact CE1-CB 3.64Å; Y225-E232 HydrophobicContact CE2-CB 3.69Å; Y225-E232 HydrophobicContact CE2-CG 4.16Å; Y225-E232 HydrophobicContact CG-CB 4.42Å; Y225-E232 PolarHBondContact N-O 3.35Å; Y225-E232 PolarHBondContact O-N 3.12Å; E227-E232 HydrophobicContact CB-CG 3.81Å; V230-E232 PolarHBondContact O-N 2.84Å; E232-R310 IonicContact OE2-CZ 2.79Å; E232-R310 IonicContact OE2-NH1 2.66Å; E232-R310 PolarHBondContact OE2-NH1 2.92Å
233	Y	92.7	Very high	91.2	Very high	41 Å²	41	33.1 Å²	33.1	16%	0.161	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.3	-172.2	-61.9	-86.8	0	0	0	111.4	F125 L222 S223 R224 Y231	F125-Y233 AromaticContact CE2-CD1 3.93Å; F125-Y233 HydrophobicContact CE2-CD1 3.93Å; F125-Y233 AromaticContact CE2-CE1 3.87Å; F125-Y233 HydrophobicContact CE2-CE1 3.87Å; F125-Y233 HydrophobicContact CE2-CG 4.38Å; F125-Y233 AromaticContact CZ-CD1 3.87Å; F125-Y233 HydrophobicContact CZ-CD1 3.87Å; F125-Y233 AromaticContact CZ-CD2 3.97Å; F125-Y233 HydrophobicContact CZ-CD2 3.97Å; F125-Y233 HydrophobicContact CZ-CE1 4.01Å; F125-Y233 HydrophobicContact CZ-CE2 4.12Å; F125-Y233 AromaticContact CZ-CG 3.84Å; F125-Y233 HydrophobicContact CZ-CG 3.84Å; L222-Y233 HydrophobicContact CD1-CD1 4.15Å; L222-Y233 HydrophobicContact CD2-CD1 4.21Å; L222-Y233 HydrophobicContact CG-CD1 4.32Å; S223-Y233 WeakPolarHBondContact O-CA 3.31Å; R224-Y233 HydrophobicContact CB-CD1 3.95Å; R224-Y233 HydrophobicContact CB-CE1 4.12Å; Y231-Y233 WeakPolarHBondContact O-CE2 3.47Å
234	L	95.7	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.7	172.1	67.3	154	0	0	0	110.5	S223 Y225 V308 F311 I368 P369	S223-L234 PolarHBondContact N-O 2.82Å; S223-L234 PolarHBondContact O-N 2.95Å; Y225-L234 HydrophobicContact CD1-CD2 3.89Å; Y225-L234 HydrophobicContact CE1-CD2 4.09Å; L234-V308 WeakPolarHBondContact CA-O 3.32Å; L234-V308 WeakPolarHBondContact CB-O 3.3Å; L234-F311 HydrophobicContact CD1-CE1 4.14Å; L234-F311 HydrophobicContact CD1-CE2 4.03Å; L234-F311 HydrophobicContact CD1-CZ 3.52Å; L234-F311 HydrophobicContact CD2-CE1 4.38Å; L234-F311 HydrophobicContact CD2-CZ 4.27Å; L234-F311 HydrophobicContact CG-CZ 4.49Å; L234-I368 HydrophobicContact CD1-CD1 3.79Å; L234-I368 HydrophobicContact CD1-CG2 4.34Å; L234-P369 HydrophobicContact CD2-CG 4.02Å
235	A	97.1	Very high	91.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138	167.6	0	0	0	0	0	109.7	V115 L117 L213 L220 Y221 V307 V308	V115-A235 HydrophobicContact CG1-CB 3.7Å; L117-A235 HydrophobicContact CD1-CB 4.44Å; L117-A235 HydrophobicContact CD2-CB 4.46Å; L213-A235 HydrophobicContact CD1-CB 4.33Å; L220-A235 HydrophobicContact CD1-CB 4.13Å; Y221-A235 VanDerWaalsContact O-CA 3.28Å; Y221-A235 WeakPolarHBondContact O-CA 3.42Å; A235-V307 CarbonylContact O-C 3.52Å; A235-V307 WeakPolarHBondContact O-CA 3.26Å; A235-V308 HydrophobicContact CB-CB 4.44Å; A235-V308 PolarHBondContact N-O 3.45Å; A235-V308 PolarHBondContact O-N 3.49Å
236	S	97.7	Very high	92.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	176.7	-170.8	0	0	0	0	109.9	Y221 I306	Y221-S236 WeakPolarHBondContact CD1-O 3.23Å; Y221-S236 WeakPolarHBondContact CE1-O 3.32Å; Y221-S236 PolarHBondContact N-O 2.87Å; Y221-S236 PolarHBondContact O-N 3.08Å; S236-I306 CarbonylContact C-O 3.51Å; S236-I306 WeakPolarHBondContact CA-O 3.46Å
237	T	97.8	Very high	92.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145	175.7	47.5	0	0	0	0	112.4	G219 L220 L239 A305 I306	G219-T237 CarbonylContact O-C 3.6Å; G219-T237 VanDerWaalsContact O-CA 3.24Å; G219-T237 WeakPolarHBondContact O-CA 3.37Å; L220-T237 HydrophobicContact CB-CG2 4.28Å; L220-T237 HydrophobicContact CD1-CG2 3.68Å; T237-L239 HydrophobicContact CG2-CD2 4.08Å; T237-A305 VanDerWaalsContact OG1-CA 3.26Å; T237-A305 WeakPolarHBondContact OG1-CA 3.07Å; T237-I306 HydrophobicContact CG2-CB 3.77Å; T237-I306 HydrophobicContact CG2-CG1 4.45Å; T237-I306 PolarHBondContact N-O 3.03Å; T237-I306 VanDerWaalsContact N-O 3.13Å; T237-I306 PolarHBondContact OG1-N 2.88Å; T237-I306 PolarHBondContact OG1-O 2.9Å
238	Q	97	Very high	93.6	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	105	155.6	176.1	65.2	16.6	0	0	107.2	S217 G219 Y221 Y243 I373 M376	S217-Q238 WeakPolarHBondContact O-CB 3.42Å; S217-Q238 WeakPolarHBondContact O-CG 3.5Å; G219-Q238 WeakPolarHBondContact CA-O 3.42Å; G219-Q238 PolarHBondContact N-O 3.45Å; G219-Q238 PolarHBondContact O-N 2.84Å; Y221-Q238 HydrophobicContact CD1-CB 4.3Å; Y221-Q238 HydrophobicContact CE1-CB 3.95Å; Q238-Y243 HydrophobicContact CG-CD2 4.29Å; Q238-Y243 WeakPolarHBondContact O-CB 3.48Å; Q238-I373 HydrophobicContact CB-CD1 3.43Å; Q238-I373 VanDerWaalsContact CB-CD1 3.43Å; Q238-I373 HydrophobicContact CB-CG1 4.42Å; Q238-I373 HydrophobicContact CG-CD1 3.36Å; Q238-I373 HydrophobicContact CG-CG1 3.81Å; Q238-M376 PolarHBondContact NE2-SD 3.45Å
239	L	97.2	Very high	94.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.101	C	C	.	.			trans	-101.1	-12.7	-174.4	-53.1	-166.8	0	0	0	113.4	T237 A241 Y243 A244 V247 L304	T237-L239 HydrophobicContact CG2-CD2 4.08Å; L239-A241 CarbonylContact O-C 3.56Å; L239-Y243 PolarHBondContact O-N 3.29Å; L239-A244 HydrophobicContact CB-CB 4.17Å; L239-A244 HydrophobicContact CD1-CB 3.97Å; L239-A244 PolarHBondContact O-N 3.44Å; L239-V247 HydrophobicContact CD2-CG2 3.62Å; L239-L304 HydrophobicContact CD1-CB 3.78Å; L239-L304 HydrophobicContact CD1-CD2 4.21Å; L239-L304 HydrophobicContact CD1-CG 4.24Å; L239-L304 WeakPolarHBondContact CD1-O 3.25Å; L239-L304 WeakPolarHBondContact CG-O 3.26Å
240	E	95.7	Very high	95.3	Very high	18 Å²	18	16.5 Å²	16.5	8%	0.084	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	137.5	176.8	-166	-175.1	-149.1	0	0	112.5	Y243 Y302 M376 W426 F491	E240-Y243 WeakPolarHBondContact O-CD2 3.19Å; E240-Y243 WeakPolarHBondContact O-CE2 3.42Å; E240-Y302 HydrophobicContact CB-CD2 3.88Å; E240-Y302 HydrophobicContact CG-CD2 3.91Å; E240-Y302 HydrophobicContact CG-CE2 4.34Å; E240-M376 HydrophobicContact CB-CE 3.58Å; E240-M376 HydrophobicContact CB-SD 3.65Å; E240-M376 HydrophobicContact CG-CE 4.32Å; E240-W426 HydrophobicContact CG-CH2 3.87Å; E240-W426 HydrophobicContact CG-CZ3 4.05Å; E240-F491 VanDerWaalsContact CD-CE1 3.4Å; E240-F491 HydrophobicContact CG-CE1 4.17Å; E240-F491 HydrophobicContact CG-CZ 3.83Å; E240-F491 WeakPolarHBondContact OE1-CE1 3.32Å; E240-F491 WeakPolarHBondContact OE1-CZ 3.42Å; E240-F491 WeakPolarHBondContact OE2-CE1 3.48Å
241	A	92.5	Very high	95.9	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.033	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-43.8	0.9	0	0	0	0	0	113.4	L239 W426 I487 F491	L239-A241 CarbonylContact O-C 3.56Å; A241-W426 HydrophobicContact CB-CD2 4.06Å; A241-W426 HydrophobicContact CB-CE3 4.02Å; A241-W426 HydrophobicContact CB-CH2 3.61Å; A241-W426 HydrophobicContact CB-CZ2 3.62Å; A241-W426 HydrophobicContact CB-CZ3 3.78Å; A241-W426 WeakPolarHBondContact O-CH2 3.32Å; A241-W426 WeakPolarHBondContact O-CZ2 3.44Å; A241-I487 HydrophobicContact CB-CG2 3.36Å; A241-F491 HydrophobicContact CB-CE2 3.96Å; A241-F491 HydrophobicContact CB-CZ 4.11Å
242	N	92.9	Very high	96.4	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.032	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	46.2	-173	65.1	-29.8	0	0	0	110.3	R245 D252 T484	N242-R245 VanDerWaalsContact O-CD 3.23Å; N242-R245 WeakPolarHBondContact O-CD 3.25Å; N242-R245 VanDerWaalsContact O-CG 3.23Å; N242-R245 WeakPolarHBondContact O-CG 3.21Å; N242-R245 PolarHBondContact O-NE 2.8Å; N242-R245 VanDerWaalsContact O-NE 3.12Å; N242-D252 VanDerWaalsContact CA-OD2 3.23Å; N242-D252 WeakPolarHBondContact CA-OD2 3.19Å; N242-T484 PolarHBondContact ND2-OG1 2.98Å; N242-T484 WeakPolarHBondContact OD1-CG2 3.33Å
243	Y	95.9	Very high	96.7	Very high	21 Å²	21	7.9 Å²	7.9	8%	0.082	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-0.4	176.8	-55.6	-36.9	0	0	0	113	E218 Q238 L239 E240 R245 R246 D252 K488	E218-Y243 HydrophobicContact CB-CD1 4.18Å; E218-Y243 HydrophobicContact CB-CD2 3.87Å; E218-Y243 HydrophobicContact CB-CE1 4.23Å; E218-Y243 HydrophobicContact CB-CE2 3.95Å; E218-Y243 HydrophobicContact CB-CG 3.99Å; E218-Y243 HydrophobicContact CG-CD1 4.42Å; E218-Y243 HydrophobicContact CG-CD2 4.01Å; E218-Y243 HydrophobicContact CG-CE1 3.98Å; E218-Y243 HydrophobicContact CG-CE2 3.54Å; E218-Y243 HydrophobicContact CG-CG 4.43Å; E218-Y243 PolarHBondContact OE1-OH 3.46Å; Q238-Y243 HydrophobicContact CG-CD2 4.29Å; Q238-Y243 WeakPolarHBondContact O-CB 3.48Å; L239-Y243 PolarHBondContact O-N 3.29Å; E240-Y243 WeakPolarHBondContact O-CD2 3.19Å; E240-Y243 WeakPolarHBondContact O-CE2 3.42Å; Y243-R245 PolarHBondContact O-N 3.39Å; Y243-R246 VanDerWaalsContact O-CB 3.31Å; Y243-R246 WeakPolarHBondContact O-CB 3.27Å; Y243-R246 PolarHBondContact O-N 2.96Å; Y243-D252 PolarHBondContact N-OD2 3.03Å; Y243-K488 WeakPolarHBondContact OH-CD 3.46Å; Y243-K488 WeakPolarHBondContact OH-CE 3.49Å; Y243-K488 PolarHBondContact OH-NZ 3.03Å
244	A	98.1	Very high	96.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35	171.6	0	0	0	0	0	111	L239 R246 V247 F248 D252	L239-A244 HydrophobicContact CB-CB 4.17Å; L239-A244 HydrophobicContact CD1-CB 3.97Å; L239-A244 PolarHBondContact O-N 3.44Å; A244-R246 PolarHBondContact O-N 3.47Å; A244-V247 PolarHBondContact O-N 3.19Å; A244-F248 HydrophobicContact CB-CE1 4.32Å; A244-F248 HydrophobicContact CB-CZ 4.4Å; A244-F248 PolarHBondContact O-N 2.87Å; A244-F248 VanDerWaalsContact O-N 3.17Å; A244-D252 WeakPolarHBondContact CB-OD1 3.41Å; A244-D252 PolarHBondContact N-OD2 3.21Å
245	R	97.2	Very high	96.9	Very high	13 Å²	13	7 Å²	7	5%	0.049	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-58.7	-17	172.9	69.9	-172	65.2	-164.6	-9.1	114.3	H147 A148 Y149 E186 N242 Y243 V247 D252	H147-R245 HydrophobicContact CB-CB 3.65Å; H147-R245 VanDerWaalsContact CD2-CZ 3.49Å; H147-R245 PolarHBondContact CD2-NH1 2.95Å; H147-R245 PolarHBondContact CD2-NH2 2.9Å; H147-R245 PolarHBondContact CE1-NH2 2.89Å; H147-R245 VanDerWaalsContact CE1-NH2 3.31Å; H147-R245 PolarHBondContact ND1-NH2 3.18Å; H147-R245 PolarHBondContact NE2-NH2 2.9Å; A148-R245 CarbonylContact C-O 3.58Å; A148-R245 WeakPolarHBondContact CA-O 3.25Å; Y149-R245 PolarHBondContact N-O 3.33Å; E186-R245 WeakPolarHBondContact OE2-CD 3.35Å; E186-R245 IonicContact OE2-CZ 3.14Å; E186-R245 IonicContact OE2-NE 3.54Å; E186-R245 IonicContact OE2-NH1 2.75Å; E186-R245 PolarHBondContact OE2-NH1 2.86Å; N242-R245 VanDerWaalsContact O-CD 3.23Å; N242-R245 WeakPolarHBondContact O-CD 3.25Å; N242-R245 VanDerWaalsContact O-CG 3.23Å; N242-R245 WeakPolarHBondContact O-CG 3.21Å; N242-R245 PolarHBondContact O-NE 2.8Å; N242-R245 VanDerWaalsContact O-NE 3.12Å; Y243-R245 PolarHBondContact O-N 3.39Å; R245-V247 VanDerWaalsContact C-N 3.34Å; R245-D252 HydrophobicContact CB-CB 3.99Å; R245-D252 WeakPolarHBondContact CB-OD2 3.05Å; R245-D252 WeakPolarHBondContact CG-OD2 3.19Å; R245-D252 PolarHBondContact N-OD2 2.67Å; R245-D252 IonicContact NE-OD2 3.89Å; R245-D252 PolarHBondContact NE-OD2 2.86Å; R245-D252 PolarHBondContact NH2-O 3.25Å
246	R	97.6	Very high	96.9	Very high	41 Å²	41	7.1 Å²	7.1	16%	0.155	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-82.5	-13.7	173.6	-64.1	176.1	172	-114.2	12.4	113.1	Y149 E218 Y243 A244	Y149-R246 HydrophobicContact CD1-CG 3.89Å; Y149-R246 HydrophobicContact CD2-CG 4.34Å; Y149-R246 HydrophobicContact CG-CG 3.68Å; Y149-R246 PolarHBondContact OH-NH2 2.99Å; E218-R246 IonicContact OE2-CZ 3.4Å; E218-R246 IonicContact OE2-NE 3.89Å; E218-R246 IonicContact OE2-NH1 3.78Å; E218-R246 IonicContact OE2-NH2 2.65Å; E218-R246 PolarHBondContact OE2-NH2 3.1Å; Y243-R246 VanDerWaalsContact O-CB 3.31Å; Y243-R246 WeakPolarHBondContact O-CB 3.27Å; Y243-R246 PolarHBondContact O-N 2.96Å; A244-R246 PolarHBondContact O-N 3.47Å
247	V	98.5	Very high	97	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-40.5	-175.2	-173	0	0	0	0	111.3	I113 F127 F209 L220 L239 A244 R245	I113-V247 HydrophobicContact CD1-CG1 4.3Å; F127-V247 HydrophobicContact CE2-CG1 4.21Å; F127-V247 VanDerWaalsContact CE2-O 3.29Å; F127-V247 WeakPolarHBondContact CE2-O 3.4Å; F127-V247 HydrophobicContact CZ-CG1 4.33Å; F209-V247 WeakPolarHBondContact CE2-O 3.34Å; L220-V247 HydrophobicContact CB-CG1 4.2Å; L220-V247 HydrophobicContact CB-CG2 3.91Å; L239-V247 HydrophobicContact CD2-CG2 3.62Å; A244-V247 PolarHBondContact O-N 3.19Å; R245-V247 VanDerWaalsContact C-N 3.34Å
248	F	98.8	Very high	97	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-155.5	155.6	178.2	57.8	-78.1	0	0	0	110.4	Y109 L111 V131 F209 A244 C250 F260 L304	Y109-F248 HydrophobicContact CD1-CD2 4.44Å; Y109-F248 AromaticContact CD1-CE2 3.97Å; Y109-F248 HydrophobicContact CD1-CE2 3.97Å; Y109-F248 HydrophobicContact CE1-CE2 4.04Å; L111-F248 HydrophobicContact CD1-CB 3.82Å; L111-F248 HydrophobicContact CD1-CD1 4.18Å; L111-F248 HydrophobicContact CD1-CD2 4.23Å; L111-F248 HydrophobicContact CD1-CG 3.82Å; L111-F248 HydrophobicContact CD2-CD1 3.88Å; L111-F248 HydrophobicContact CD2-CE1 3.96Å; L111-F248 HydrophobicContact CD2-CG 4.26Å; L111-F248 HydrophobicContact CD2-CZ 4.33Å; V131-F248 HydrophobicContact CG1-CB 4.47Å; V131-F248 HydrophobicContact CG2-CD2 4.41Å; F209-F248 HydrophobicContact CE1-CB 3.94Å; F209-F248 HydrophobicContact CE2-CB 4.07Å; F209-F248 HydrophobicContact CZ-CB 3.54Å; A244-F248 HydrophobicContact CB-CE1 4.32Å; A244-F248 HydrophobicContact CB-CZ 4.4Å; A244-F248 PolarHBondContact O-N 2.87Å; A244-F248 VanDerWaalsContact O-N 3.17Å; F248-C250 HydrophobicContact CD2-CB 3.72Å; F248-C250 HydrophobicContact CE2-CB 3.42Å; F248-C250 VanDerWaalsContact CE2-CB 3.42Å; F248-C250 HydrophobicContact CZ-CB 4.25Å; F248-C250 PolarHBondContact O-N 3.06Å; F248-F260 HydrophobicContact CE2-CE1 4.19Å; F248-F260 AromaticContact CZ-CE1 3.98Å; F248-F260 HydrophobicContact CZ-CE1 3.98Å; F248-L304 HydrophobicContact CE1-CD2 3.56Å; F248-L304 HydrophobicContact CZ-CD2 3.78Å
249	P	98.6	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-63.5	125.5	172.2	-23.5	36.7	0	0	0	111.3	V146 H147 A148 L152 V154 F206 F209	V146-P249 HydrophobicContact CG2-CB 4.04Å; H147-P249 CarbonylContact O-C 3.52Å; H147-P249 VanDerWaalsContact O-CA 3.28Å; H147-P249 WeakPolarHBondContact O-CA 3.38Å; A148-P249 HydrophobicContact CB-CB 4.45Å; A148-P249 HydrophobicContact CB-CG 4.45Å; L152-P249 HydrophobicContact CD2-CG 4.29Å; V154-P249 HydrophobicContact CG1-CG 4.49Å; V154-P249 HydrophobicContact CG2-CG 3.84Å; F206-P249 HydrophobicContact CB-CG 4.16Å; F206-P249 HydrophobicContact CD1-CB 3.8Å; F206-P249 HydrophobicContact CD1-CG 3.64Å; F206-P249 HydrophobicContact CD2-CB 3.81Å; F206-P249 HydrophobicContact CD2-CG 4.21Å; F206-P249 HydrophobicContact CE1-CB 3.8Å; F206-P249 HydrophobicContact CE1-CG 4.08Å; F206-P249 HydrophobicContact CE2-CB 3.81Å; F206-P249 HydrophobicContact CG-CB 3.83Å; F206-P249 HydrophobicContact CG-CG 3.72Å; F206-P249 HydrophobicContact CZ-CB 3.82Å; F209-P249 HydrophobicContact CD1-CG 4.4Å
250	C	98.6	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-159.8	169.6	-177	60.1	0	0	0	0	114.6	Y109 H147 F248 D252 T301	Y109-C250 HydrophobicContact CE1-CB 3.66Å; H147-C250 WeakPolarHBondContact CA-O 3.44Å; H147-C250 VanDerWaalsContact CB-O 3.27Å; H147-C250 WeakPolarHBondContact CB-O 3.42Å; H147-C250 PolarHBondContact N-O 3.02Å; H147-C250 PolarHBondContact O-N 2.86Å; F248-C250 HydrophobicContact CD2-CB 3.72Å; F248-C250 HydrophobicContact CE2-CB 3.42Å; F248-C250 VanDerWaalsContact CE2-CB 3.42Å; F248-C250 HydrophobicContact CZ-CB 4.25Å; F248-C250 PolarHBondContact O-N 3.06Å; C250-D252 VanDerWaalsContact C-N 3.26Å; C250-D252 PolarHBondContact O-N 3.44Å; C250-T301 HydrophobicContact CB-CG2 4.21Å
251	W	98	Very high	97.3	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.015	5%	0.054	C	C	.	.			trans	-79.1	78.8	164.8	-77	-109.4	0	0	0	109.2	L100 L104 P106 Y109 I133 V135 I144 L204 E253 F256 T301	L100-W251 HydrophobicContact CD1-CB 3.93Å; L100-W251 HydrophobicContact CD1-CG 3.79Å; L104-W251 HydrophobicContact CB-CZ2 3.75Å; L104-W251 HydrophobicContact CD1-CZ2 4.41Å; L104-W251 PolarHBondContact O-NE1 2.71Å; P106-W251 HydrophobicContact CB-CD2 4.36Å; P106-W251 HydrophobicContact CB-CE3 4.01Å; P106-W251 HydrophobicContact CG-CB 3.91Å; P106-W251 HydrophobicContact CG-CD2 4.21Å; P106-W251 HydrophobicContact CG-CE3 4.31Å; P106-W251 HydrophobicContact CG-CG 4.02Å; Y109-W251 PolarHBondContact OH-N 2.92Å; Y109-W251 VanDerWaalsContact OH-N 3.08Å; I133-W251 HydrophobicContact CD1-CE3 4.41Å; I133-W251 HydrophobicContact CD1-CZ3 3.9Å; I133-W251 HydrophobicContact CG2-CE3 4.42Å; I133-W251 HydrophobicContact CG2-CZ3 4.03Å; V135-W251 HydrophobicContact CG1-CH2 3.5Å; V135-W251 HydrophobicContact CG1-CZ2 4.3Å; V135-W251 HydrophobicContact CG1-CZ3 3.62Å; I144-W251 HydrophobicContact CG2-CH2 4.12Å; I144-W251 HydrophobicContact CG2-CZ2 4.08Å; L204-W251 HydrophobicContact CD2-CH2 4.05Å; L204-W251 HydrophobicContact CD2-CZ3 4.41Å; W251-E253 PolarHBondContact O-N 3.26Å; W251-F256 HydrophobicContact CB-CB 3.62Å; W251-F256 HydrophobicContact CB-CD1 4.31Å; W251-F256 HydrophobicContact CB-CD2 4.28Å; W251-F256 HydrophobicContact CB-CG 3.83Å; W251-F256 AromaticContact CD1-CD1 3.51Å; W251-F256 AromaticContact CD1-CE1 3.63Å; W251-F256 AromaticContact CD1-CG 3.8Å; W251-F256 HydrophobicContact CG-CB 4.32Å; W251-F256 HydrophobicContact CG-CD1 4.14Å; W251-F256 HydrophobicContact CG-CG 4.15Å; W251-T301 WeakPolarHBondContact O-CG2 3.33Å
252	D	97.2	Very high	97.6	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	5%	0.054	C	C	.	.			trans	-80.3	62.6	-173.9	-162.8	23.3	0	0	0	114.3	H147 N242 Y243 A244 R245 C250 T301	H147-D252 HydrophobicContact CB-CB 3.9Å; H147-D252 PolarHBondContact ND1-N 3.05Å; N242-D252 VanDerWaalsContact CA-OD2 3.23Å; N242-D252 WeakPolarHBondContact CA-OD2 3.19Å; Y243-D252 PolarHBondContact N-OD2 3.03Å; A244-D252 WeakPolarHBondContact CB-OD1 3.41Å; A244-D252 PolarHBondContact N-OD2 3.21Å; R245-D252 HydrophobicContact CB-CB 3.99Å; R245-D252 WeakPolarHBondContact CB-OD2 3.05Å; R245-D252 WeakPolarHBondContact CG-OD2 3.19Å; R245-D252 PolarHBondContact N-OD2 2.67Å; R245-D252 IonicContact NE-OD2 3.89Å; R245-D252 PolarHBondContact NE-OD2 2.86Å; R245-D252 PolarHBondContact NH2-O 3.25Å; C250-D252 VanDerWaalsContact C-N 3.26Å; C250-D252 PolarHBondContact O-N 3.44Å; D252-T301 PolarHBondContact OD1-OG1 3.37Å
253	E	96.2	Very high	97.9	Very high	3 Å²	3	13 Å²	13	1%	0.014	6%	0.057	C	C	.	.	S	Bend	trans	-141.8	146.1	176.6	-69.8	-172.8	-154.9	0	0	109.6	R99 L100 H147 W251 E255 F256 W425	R99-E253 VanDerWaalsContact CA-OE1 3.29Å; R99-E253 WeakPolarHBondContact CA-OE1 3.22Å; R99-E253 IonicContact NE-OE2 3.29Å; R99-E253 IonicContact NH2-OE2 3.32Å; L100-E253 WeakPolarHBondContact CG-OE1 3.36Å; L100-E253 PolarHBondContact N-OE1 2.65Å; H147-E253 IonicContact CE1-OE1 3.87Å; H147-E253 PolarHBondContact CE1-OE1 2.79Å; W251-E253 PolarHBondContact O-N 3.26Å; E253-E255 VanDerWaalsContact C-N 3.28Å; E253-E255 PolarHBondContact O-N 2.84Å; E253-F256 HydrophobicContact CB-CD2 3.75Å; E253-F256 HydrophobicContact CB-CE2 4.12Å; E253-F256 PolarHBondContact O-N 2.8Å; E253-W425 HydrophobicContact CB-CZ3 3.78Å; E253-W425 HydrophobicContact CG-CH2 3.94Å; E253-W425 HydrophobicContact CG-CZ3 3.5Å; E253-W425 VanDerWaalsContact CG-CZ3 3.5Å; E253-W425 WeakPolarHBondContact OE2-CZ3 3.25Å
254	P	96.7	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.4	-170.6	22.4	-33.7	0	0	0	113.8	F256 S300 T422 M423 W425 W426 N530	P254-F256 VanDerWaalsContact C-N 3.32Å; P254-F256 PolarHBondContact O-N 3.25Å; P254-S300 PolarHBondContact O-OG 3.37Å; P254-T422 HydrophobicContact CB-CG2 4.11Å; P254-M423 HydrophobicContact CB-CE 3.94Å; P254-M423 HydrophobicContact CB-SD 4.19Å; P254-M423 HydrophobicContact CG-CE 4.15Å; P254-W425 HydrophobicContact CG-CE3 4.09Å; P254-W426 HydrophobicContact CG-CZ2 4.32Å; P254-N530 VanDerWaalsContact C-ND2 3.32Å; P254-N530 PolarHBondContact O-ND2 3.01Å
255	E	96.2	Very high	98	Very high	24 Å²	24	13.5 Å²	13.5	11%	0.112	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.8	-178	70.4	-179.2	177.9	0	0	115	R99 H102 E253 K257 K424 N530	R99-E255 IonicContact CZ-OE1 2.88Å; R99-E255 IonicContact NH2-OE1 3.66Å; R99-E255 PolarHBondContact NH2-OE1 3.01Å; R99-E255 IonicContact NH2-OE2 2.99Å; R99-E255 PolarHBondContact NH2-OE2 2.83Å; H102-E255 IonicContact CD2-OE1 3.71Å; H102-E255 IonicContact CE1-OE1 3.02Å; H102-E255 IonicContact NE2-OE1 3.58Å; H102-E255 PolarHBondContact NE2-OE1 3.03Å; H102-E255 IonicContact NE2-OE2 2.94Å; E253-E255 VanDerWaalsContact C-N 3.28Å; E253-E255 PolarHBondContact O-N 2.84Å; E255-K257 PolarHBondContact O-N 2.85Å; E255-K424 HydrophobicContact CB-CG 4.25Å; E255-K424 VanDerWaalsContact OE2-CE 3.29Å; E255-K424 WeakPolarHBondContact OE2-CE 3.41Å; E255-N530 PolarHBondContact O-OD1 2.8Å
256	F	97.5	Very high	98	Very high	2 Å²	2	14 Å²	14	1%	0.009	6%	0.062	C	C	.	.			trans	-89.2	60.8	-176.9	-64.1	-87.8	0	0	0	111.6	L100 H102 F105 P106 W251 E253 P254	L100-F256 HydrophobicContact CB-CE2 3.94Å; L100-F256 HydrophobicContact CB-CZ 3.88Å; L100-F256 HydrophobicContact CD1-CE2 4.44Å; H102-F256 AromaticContact CD2-CZ 3.85Å; F105-F256 AromaticContact CD1-CD1 3.72Å; F105-F256 HydrophobicContact CD1-CD1 3.72Å; F105-F256 AromaticContact CD1-CE1 3.82Å; F105-F256 HydrophobicContact CD1-CE1 3.82Å; F105-F256 HydrophobicContact CE1-CD1 4.13Å; F105-F256 AromaticContact CE1-CE1 3.85Å; F105-F256 HydrophobicContact CE1-CE1 3.85Å; P106-F256 HydrophobicContact CG-CB 3.81Å; W251-F256 HydrophobicContact CB-CB 3.62Å; W251-F256 HydrophobicContact CB-CD1 4.31Å; W251-F256 HydrophobicContact CB-CD2 4.28Å; W251-F256 HydrophobicContact CB-CG 3.83Å; W251-F256 AromaticContact CD1-CD1 3.51Å; W251-F256 AromaticContact CD1-CE1 3.63Å; W251-F256 AromaticContact CD1-CG 3.8Å; W251-F256 HydrophobicContact CG-CB 4.32Å; W251-F256 HydrophobicContact CG-CD1 4.14Å; W251-F256 HydrophobicContact CG-CG 4.15Å; E253-F256 HydrophobicContact CB-CD2 3.75Å; E253-F256 HydrophobicContact CB-CE2 4.12Å; E253-F256 PolarHBondContact O-N 2.8Å; P254-F256 VanDerWaalsContact C-N 3.32Å; P254-F256 PolarHBondContact O-N 3.25Å
257	K	98	Very high	97.9	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.026	7%	0.065	C	C	.	.			trans	-67	136.4	178.2	-67.8	-171.2	172.4	-170.4	0	112.6	E255 K298 M299 S300 N419 I420 T422 K529 N530	E255-K257 PolarHBondContact O-N 2.85Å; K257-K298 HydrophobicContact CB-CD 4.25Å; K257-K298 HydrophobicContact CB-CG 3.66Å; K257-K298 WeakPolarHBondContact O-CE 3.45Å; K257-M299 CarbonylContact C-O 3.57Å; K257-M299 VanDerWaalsContact CA-O 3.25Å; K257-M299 WeakPolarHBondContact CA-O 3.23Å; K257-S300 WeakPolarHBondContact CE-OG 3.21Å; K257-S300 WeakPolarHBondContact CG-OG 3.44Å; K257-N419 PolarHBondContact NZ-O 3.05Å; K257-I420 PolarHBondContact NZ-O 3.19Å; K257-T422 VanDerWaalsContact CE-CB 3.49Å; K257-T422 WeakPolarHBondContact CE-OG1 3.16Å; K257-T422 PolarHBondContact NZ-OG1 2.88Å; K257-K529 PolarHBondContact NZ-O 3.13Å; K257-N530 WeakPolarHBondContact CD-OD1 3.39Å; K257-N530 WeakPolarHBondContact CE-OD1 3.19Å; K257-N530 WeakPolarHBondContact CG-OD1 3.37Å
258	A	98.4	Very high	97.7	Very high	2 Å²	2	20 Å²	20	2%	0.017	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-142.9	172.8	177.9	0	0	0	0	0	111.8	P106 Y109 F260 K298 M299	P106-A258 HydrophobicContact CB-CB 4.19Å; P106-A258 HydrophobicContact CG-CB 4.38Å; Y109-A258 HydrophobicContact CD2-CB 3.57Å; Y109-A258 HydrophobicContact CE2-CB 3.45Å; Y109-A258 VanDerWaalsContact CE2-CB 3.45Å; A258-F260 HydrophobicContact CB-CE2 4.46Å; A258-K298 WeakPolarHBondContact O-CA 3.08Å; A258-M299 PolarHBondContact N-O 3.34Å; A258-M299 PolarHBondContact O-N 3.39Å
259	K	98.6	Very high	97.5	Very high	102 Å²	102	22.2 Å²	22.2	44%	0.443	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	151.9	168.4	-63.2	-176.1	-178.9	-176.6	0	110.3	H107 F108 Y109 T295 S296	H107-K259 PolarHBondContact O-N 2.98Å; H107-K259 VanDerWaalsContact O-N 3.14Å; F108-K259 CarbonylContact C-O 3.58Å; F108-K259 VanDerWaalsContact CA-O 3.28Å; F108-K259 WeakPolarHBondContact CA-O 3.42Å; F108-K259 HydrophobicContact CD2-CB 3.86Å; F108-K259 HydrophobicContact CE2-CB 4.46Å; Y109-K259 PolarHBondContact N-O 3.47Å; K259-T295 HydrophobicContact CB-CG2 3.99Å; K259-T295 HydrophobicContact CD-CG2 4.17Å; K259-S296 WeakPolarHBondContact CG-O 3.26Å
260	F	98.8	Very high	97.4	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.2	-179	-66.6	-99	0	0	0	110.3	Y109 F248 A258 V262 T295 S296 M299 T301 L304	Y109-F260 HydrophobicContact CD1-CE1 4.29Å; Y109-F260 AromaticContact CD2-CD1 3.93Å; Y109-F260 HydrophobicContact CD2-CD1 3.93Å; Y109-F260 AromaticContact CD2-CE1 3.37Å; Y109-F260 HydrophobicContact CD2-CE1 3.37Å; Y109-F260 HydrophobicContact CD2-CE2 4.12Å; Y109-F260 AromaticContact CD2-CZ 3.48Å; Y109-F260 HydrophobicContact CD2-CZ 3.48Å; Y109-F260 VanDerWaalsContact CD2-CZ 3.48Å; Y109-F260 AromaticContact CE2-CE1 3.98Å; Y109-F260 HydrophobicContact CE2-CE1 3.98Å; Y109-F260 AromaticContact CE2-CZ 3.76Å; Y109-F260 HydrophobicContact CE2-CZ 3.76Å; Y109-F260 AromaticContact CG-CD1 3.92Å; Y109-F260 HydrophobicContact CG-CD1 3.92Å; Y109-F260 AromaticContact CG-CE1 3.56Å; Y109-F260 HydrophobicContact CG-CE1 3.56Å; Y109-F260 HydrophobicContact CG-CZ 4.17Å; Y109-F260 CarbonylContact O-C 3.59Å; Y109-F260 WeakPolarHBondContact O-CA 3.44Å; F248-F260 HydrophobicContact CE2-CE1 4.19Å; F248-F260 AromaticContact CZ-CE1 3.98Å; F248-F260 HydrophobicContact CZ-CE1 3.98Å; A258-F260 HydrophobicContact CB-CE2 4.46Å; F260-V262 HydrophobicContact CB-CG2 4.1Å; F260-T295 CarbonylContact O-C 3.49Å; F260-T295 WeakPolarHBondContact O-CA 3.28Å; F260-S296 PolarHBondContact N-OG 3.08Å; F260-S296 PolarHBondContact O-N 2.98Å; F260-M299 HydrophobicContact CB-CE 4.2Å; F260-M299 HydrophobicContact CD2-CE 3.45Å; F260-M299 VanDerWaalsContact CD2-CE 3.45Å; F260-M299 HydrophobicContact CD2-CG 3.95Å; F260-M299 HydrophobicContact CE2-CE 4.05Å; F260-M299 HydrophobicContact CE2-CG 3.96Å; F260-M299 HydrophobicContact CG-CE 3.96Å; F260-T301 HydrophobicContact CZ-CG2 4.12Å; F260-L304 HydrophobicContact CB-CD1 4.36Å; F260-L304 HydrophobicContact CD1-CD1 4.2Å; F260-L304 HydrophobicContact CD1-CD2 4.23Å; F260-L304 HydrophobicContact CE1-CD2 4.32Å; F260-L304 HydrophobicContact CG-CD1 4.29Å
261	K	98.8	Very high	97.2	Very high	31 Å²	31	24.5 Å²	24.5	14%	0.135	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.4	160.8	-177.6	70.7	174.7	175.3	0	106.6	F108 Y109 L111 E279 T292 Y293	F108-K261 HydrophobicContact CE1-CB 3.98Å; F108-K261 HydrophobicContact CE2-CB 4.36Å; F108-K261 HydrophobicContact CZ-CB 3.51Å; F108-K261 HydrophobicContact CZ-CG 4.44Å; Y109-K261 PolarHBondContact O-N 3.43Å; L111-K261 PolarHBondContact N-O 2.8Å; K261-E279 IonicContact NZ-OE2 3.92Å; K261-E279 PolarHBondContact NZ-OE2 2.78Å; K261-T292 VanDerWaalsContact CE-CG2 3.43Å; K261-Y293 WeakPolarHBondContact CD-O 3.28Å; K261-Y293 VanDerWaalsContact CE-O 3.31Å; K261-Y293 WeakPolarHBondContact CE-O 3.44Å; K261-Y293 PolarHBondContact NZ-O 2.92Å
262	V	98.8	Very high	97.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	-173.1	-174.6	0	0	0	0	109.4	L111 F260 I264 Y293 L304 I306	L111-V262 WeakPolarHBondContact O-CA 3.28Å; F260-V262 HydrophobicContact CB-CG2 4.1Å; V262-I264 HydrophobicContact CG1-CD1 4.25Å; V262-I264 HydrophobicContact CG1-CG1 3.92Å; V262-Y293 PolarHBondContact O-N 3.3Å; V262-L304 HydrophobicContact CG2-CD1 3.65Å; V262-I306 HydrophobicContact CG1-CD1 4.3Å; V262-I306 HydrophobicContact CG1-CG1 4.4Å
263	N	98.9	Very high	97.3	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.6	176.9	-67.4	-60.2	0	0	0	108.2	D110 L111 S112 I113 L290 D291 T292	D110-N263 PolarHBondContact OD1-ND2 3.38Å; L111-N263 PolarHBondContact O-N 2.81Å; S112-N263 CarbonylContact C-O 3.57Å; S112-N263 WeakPolarHBondContact CA-O 3.34Å; S112-N263 WeakPolarHBondContact OG-CB 3.46Å; I113-N263 PolarHBondContact N-O 2.8Å; N263-L290 HydrophobicContact CB-CD1 3.89Å; N263-D291 CarbonylContact C-O 3.57Å; N263-D291 WeakPolarHBondContact CA-O 3.36Å; N263-T292 WeakPolarHBondContact OD1-CB 3.48Å; N263-T292 WeakPolarHBondContact OD1-CG2 3.49Å; N263-T292 PolarHBondContact OD1-OG1 3.23Å
264	I	98.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.4	-178.8	-55.4	172.2	0	0	0	109	I113 V262 D291 Y293 I306 V308	I113-I264 CarbonylContact O-C 3.51Å; I113-I264 WeakPolarHBondContact O-CA 3.45Å; V262-I264 HydrophobicContact CG1-CD1 4.25Å; V262-I264 HydrophobicContact CG1-CG1 3.92Å; I264-D291 PolarHBondContact N-O 3.03Å; I264-D291 PolarHBondContact O-N 2.84Å; I264-Y293 HydrophobicContact CD1-CD2 4.29Å; I264-Y293 HydrophobicContact CD1-CE2 3.64Å; I264-Y293 HydrophobicContact CG1-CE2 4.13Å; I264-I306 HydrophobicContact CD1-CB 4.43Å; I264-I306 HydrophobicContact CD1-CG1 4.26Å; I264-I306 HydrophobicContact CD1-CG2 3.78Å; I264-I306 HydrophobicContact CG1-CG2 4.36Å; I264-V308 HydrophobicContact CG2-CG2 3.91Å
265	I	98.5	Very high	97.5	Very high	31 Å²	31	25.1 Å²	25.1	16%	0.159	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.2	172.4	-57.2	169.6	0	0	0	108.1	I113 Q114 V115 L284 W288 C289 L290	I113-I265 PolarHBondContact O-N 2.62Å; Q114-I265 WeakPolarHBondContact CA-O 3.26Å; Q114-I265 HydrophobicContact CB-CB 3.84Å; Q114-I265 HydrophobicContact CB-CD1 4.43Å; Q114-I265 HydrophobicContact CB-CG2 4.29Å; Q114-I265 HydrophobicContact CG-CB 3.8Å; Q114-I265 HydrophobicContact CG-CG2 3.72Å; V115-I265 PolarHBondContact N-O 2.97Å; I265-L284 HydrophobicContact CD1-CD1 4.24Å; I265-L284 HydrophobicContact CG1-CD1 4.2Å; I265-L284 HydrophobicContact CG2-CD1 3.91Å; I265-W288 HydrophobicContact CG2-CB 4.37Å; I265-W288 HydrophobicContact CG2-CD2 4.42Å; I265-W288 HydrophobicContact CG2-CE3 3.69Å; I265-W288 HydrophobicContact CG2-CZ3 4.34Å; I265-C289 WeakPolarHBondContact CA-O 3.29Å; I265-L290 HydrophobicContact CG1-CD1 3.82Å
266	R	96.8	Very high	97.6	Very high	23 Å²	23	24.9 Å²	24.9	9%	0.087	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.1	-177.2	54.1	155.8	176.4	87.7	8.1	111.4	F270 H271 W288 C289 D291 V308	R266-F270 VanDerWaalsContact CD-O 3.29Å; R266-F270 WeakPolarHBondContact CD-O 3.38Å; R266-F270 VanDerWaalsContact CZ-O 3.26Å; R266-F270 PolarHBondContact NE-O 3.11Å; R266-F270 PolarHBondContact NH1-O 3.13Å; R266-H271 VanDerWaalsContact CD-C 3.42Å; R266-W288 WeakPolarHBondContact O-CA 3.43Å; R266-C289 PolarHBondContact N-O 3.48Å; R266-C289 PolarHBondContact O-N 2.94Å; R266-D291 IonicContact CZ-OD1 2.9Å; R266-D291 IonicContact CZ-OD2 2.67Å; R266-D291 IonicContact NE-OD1 2.83Å; R266-D291 IonicContact NE-OD2 3.63Å; R266-D291 PolarHBondContact NE-OD2 2.82Å; R266-D291 IonicContact NH2-OD1 3.15Å; R266-D291 PolarHBondContact NH2-OD1 3.08Å; R266-D291 IonicContact NH2-OD2 2.67Å; R266-D291 PolarHBondContact NH2-OD2 2.85Å; R266-V308 HydrophobicContact CB-CG1 4.07Å
267	H	95.6	Very high	97.6	Very high	48 Å²	48	27.5 Å²	27.5	22%	0.222	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.9	170.1	-176.3	-103.6	0	0	0	110.4	S269 F270 N287	H267-S269 WeakPolarHBondContact ND1-CB 3.28Å; H267-S269 PolarHBondContact ND1-N 3.45Å; H267-S269 PolarHBondContact ND1-OG 3.41Å; H267-S269 PolarHBondContact O-N 2.93Å; H267-F270 HydrophobicContact CB-CD2 4.15Å; H267-F270 PolarHBondContact O-N 3.27Å; H267-N287 WeakPolarHBondContact NE2-CB 3.27Å
268	K	95.1	Very high	97.5	Very high	121 Å²	121	30.9 Å²	30.9	53%	0.526	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.1	-174.8	73.4	180	178.3	-176.1	0	114.4	F270 N287	K268-F270 PolarHBondContact O-N 2.8Å; K268-N287 HydrophobicContact CB-CB 4.47Å; K268-N287 VanDerWaalsContact CB-O 3.27Å; K268-N287 WeakPolarHBondContact CB-O 3.47Å; K268-N287 HydrophobicContact CD-CB 3.61Å; K268-N287 WeakPolarHBondContact CD-OD1 3.37Å; K268-N287 VanDerWaalsContact CE-CG 3.45Å; K268-N287 WeakPolarHBondContact CE-OD1 3.41Å; K268-N287 HydrophobicContact CG-CB 3.85Å; K268-N287 PolarHBondContact N-O 3.2Å; K268-N287 PolarHBondContact NZ-OD1 2.87Å
269	S	93.2	Very high	97.5	Very high	45 Å²	45	35.9 Å²	35.9	32%	0.315	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.5	177.9	65.2	0	0	0	0	113.7	H267 R310	H267-S269 WeakPolarHBondContact ND1-CB 3.28Å; H267-S269 PolarHBondContact ND1-N 3.45Å; H267-S269 PolarHBondContact ND1-OG 3.41Å; H267-S269 PolarHBondContact O-N 2.93Å; S269-R310 WeakPolarHBondContact O-CG 3.39Å; S269-R310 PolarHBondContact O-NE 3.11Å; S269-R310 PolarHBondContact OG-NH2 2.88Å
270	F	96.1	Very high	97.5	Very high	10 Å²	10	33.7 Å²	33.7	4%	0.044	17%	0.172	C	C	.	.	S	Bend	trans	-108.1	160.2	175.8	-63.2	-91.8	0	0	0	109	L117 R266 H267 K268 V308 S309 R310	L117-F270 HydrophobicContact CB-CE1 4.22Å; L117-F270 HydrophobicContact CB-CE2 3.98Å; L117-F270 HydrophobicContact CB-CZ 3.67Å; L117-F270 HydrophobicContact CD1-CD1 3.96Å; L117-F270 HydrophobicContact CD1-CE1 3.59Å; L117-F270 HydrophobicContact CD1-CZ 3.95Å; L117-F270 HydrophobicContact CG-CZ 4.48Å; R266-F270 VanDerWaalsContact CD-O 3.29Å; R266-F270 WeakPolarHBondContact CD-O 3.38Å; R266-F270 VanDerWaalsContact CZ-O 3.26Å; R266-F270 PolarHBondContact NE-O 3.11Å; R266-F270 PolarHBondContact NH1-O 3.13Å; H267-F270 HydrophobicContact CB-CD2 4.15Å; H267-F270 PolarHBondContact O-N 3.27Å; K268-F270 PolarHBondContact O-N 2.8Å; F270-V308 HydrophobicContact CB-CG1 3.71Å; F270-V308 HydrophobicContact CD1-CG1 4.18Å; F270-V308 HydrophobicContact CG-CG1 4.01Å; F270-S309 WeakPolarHBondContact CA-O 3.24Å; F270-R310 HydrophobicContact CD1-CG 3.78Å; F270-R310 HydrophobicContact CE1-CG 3.88Å; F270-R310 HydrophobicContact CG-CG 4.45Å
271	H	95.8	Very high	97.5	Very high	39 Å²	39	36.9 Å²	36.9	18%	0.181	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	162.5	156.3	62.2	-86.5	0	0	0	108.9	R266 V308 S309 F311 W327	R266-H271 VanDerWaalsContact CD-C 3.42Å; H271-V308 WeakPolarHBondContact O-CA 3.41Å; H271-S309 PolarHBondContact CE1-O 2.82Å; H271-S309 PolarHBondContact CE1-OG 3.02Å; H271-S309 VanDerWaalsContact CE1-OG 3.3Å; H271-S309 PolarHBondContact N-O 3.42Å; H271-S309 PolarHBondContact ND1-O 2.77Å; H271-S309 PolarHBondContact NE2-OG 3.06Å; H271-S309 PolarHBondContact O-N 3.04Å; H271-S309 VanDerWaalsContact O-N 3.11Å; H271-F311 PolarHBondContact CE1-N 2.99Å; H271-F311 PolarHBondContact CE1-O 2.68Å; H271-W327 AromaticContact CD2-CZ3 3.66Å; H271-W327 AromaticContact CE1-CE3 3.91Å; H271-W327 AromaticContact CE1-CZ3 3.71Å; H271-W327 AromaticContact NE2-CE3 3.41Å; H271-W327 AromaticContact NE2-CZ3 3.33Å; H271-W327 VanDerWaalsContact NE2-CZ3 3.33Å; H271-W327 WeakPolarHBondContact NE2-CZ3 3.01Å
272	S	98.5	Very high	97.4	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.4	170.3	75.1	0	0	0	0	109.9	D291 Y293 V307	S272-D291 WeakPolarHBondContact CB-OD2 3.43Å; S272-D291 WeakPolarHBondContact OG-CB 3.17Å; S272-D291 PolarHBondContact OG-OD2 2.93Å; S272-Y293 PolarHBondContact O-OH 3.35Å; S272-Y293 WeakPolarHBondContact OG-CE2 3.33Å; S272-Y293 PolarHBondContact OG-OH 3.31Å; S272-V307 CarbonylContact C-O 3.57Å; S272-V307 WeakPolarHBondContact CA-O 3.48Å
273	L	98.6	Very high	97.3	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148	169.3	-56.4	172.2	0	0	0	108.9	Y293 I306 V307 W327 I366 L381	L273-Y293 WeakPolarHBondContact CA-OH 3.42Å; L273-Y293 PolarHBondContact N-OH 3.32Å; L273-I306 WeakPolarHBondContact O-CA 3.45Å; L273-V307 HydrophobicContact CB-CB 4.32Å; L273-V307 PolarHBondContact N-O 2.89Å; L273-V307 PolarHBondContact O-N 2.91Å; L273-W327 HydrophobicContact CD1-CD2 3.72Å; L273-W327 HydrophobicContact CD1-CE3 4.29Å; L273-W327 HydrophobicContact CD1-CG 3.79Å; L273-W327 HydrophobicContact CD1-CZ2 4.46Å; L273-W327 HydrophobicContact CD2-CD2 4.26Å; L273-W327 HydrophobicContact CD2-CH2 3.93Å; L273-W327 HydrophobicContact CD2-CZ2 3.47Å; L273-W327 VanDerWaalsContact CD2-CZ2 3.47Å; L273-W327 HydrophobicContact CD2-CZ3 4.47Å; L273-I366 HydrophobicContact CD1-CD1 3.78Å; L273-L381 HydrophobicContact CB-CD1 4.03Å; L273-L381 HydrophobicContact CB-CD2 3.56Å; L273-L381 HydrophobicContact CB-CG 4.47Å; L273-L381 HydrophobicContact CD1-CD1 3.96Å
274	S	98.5	Very high	97.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-179.2	169.3	-166.4	0	0	0	0	110.6	M276 A305 K362	S274-M276 VanDerWaalsContact C-N 3.29Å; S274-M276 PolarHBondContact O-N 3.18Å; S274-A305 VanDerWaalsContact CA-O 3.28Å; S274-A305 WeakPolarHBondContact CA-O 3.42Å; S274-A305 WeakPolarHBondContact CB-O 3.31Å; S274-A305 PolarHBondContact OG-O 3.46Å; S274-K362 PolarHBondContact O-NZ 2.67Å
275	N	98.5	Very high	96.7	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	28%	0.275	C	S	.	.	S	Bend	trans	-53.8	-40.6	-175.1	-64.1	85	0	0	0	113.9	M299 L303 L304 A305 K362 W379	N275-M299 HydrophobicContact CB-CE 4.37Å; N275-L303 PolarHBondContact ND2-O 3.46Å; N275-L304 WeakPolarHBondContact OD1-CA 3.31Å; N275-A305 PolarHBondContact OD1-N 3.08Å; N275-A305 PolarHBondContact OD1-O 3.34Å; N275-K362 WeakPolarHBondContact O-CE 3.35Å; N275-K362 PolarHBondContact O-NZ 3.03Å; N275-W379 VanDerWaalsContact CA-O 3.31Å; N275-W379 WeakPolarHBondContact CA-O 3.44Å; N275-W379 WeakPolarHBondContact CB-O 3.22Å; N275-W379 PolarHBondContact ND2-N 3.05Å; N275-W379 PolarHBondContact ND2-O 2.98Å
276	M	98.2	Very high	96.3	Very high	18 Å²	18	59.3 Å²	59.3	9%	0.089	30%	0.301	C	S	.	.	S	Bend	trans	-98.6	168.7	-176.3	-60.3	-54.5	-69.2	0	0	112.1	S274 Y293 N294 L360 K362	S274-M276 VanDerWaalsContact C-N 3.29Å; S274-M276 PolarHBondContact O-N 3.18Å; M276-Y293 WeakPolarHBondContact O-CD1 3.45Å; M276-N294 HydrophobicContact CB-CB 4.05Å; M276-N294 WeakPolarHBondContact CB-O 3.42Å; M276-N294 VanDerWaalsContact CG-O 3.22Å; M276-N294 WeakPolarHBondContact CG-O 3.44Å; M276-L360 HydrophobicContact CE-CD2 4.14Å; M276-L360 HydrophobicContact SD-CD1 4.02Å; M276-L360 HydrophobicContact SD-CD2 3.84Å; M276-L360 HydrophobicContact SD-CG 4.48Å; M276-K362 WeakPolarHBondContact O-CE 3.46Å
277	N	96.4	Very high	96	Very high	57 Å²	57	61.9 Å²	61.9	31%	0.305	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-68.8	146.9	172.1	60	-50.9	0	0	0	110.9	E279 N294 K362	N277-E279 PolarHBondContact O-N 3.16Å; N277-N294 PolarHBondContact ND2-ND2 2.9Å; N277-N294 PolarHBondContact O-N 3.09Å; N277-N294 PolarHBondContact OD1-ND2 2.97Å; N277-K362 HydrophobicContact CB-CG 3.97Å
278	L	97.8	Very high	96	Very high	77 Å²	77	61.3 Å²	61.3	40%	0.403	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.7	174	-176	67.2	0	0	0	109.8	S280 D291 Y293	L278-S280 WeakPolarHBondContact CD1-O 3.31Å; L278-D291 HydrophobicContact CD1-CB 3.6Å; L278-Y293 HydrophobicContact CB-CD1 4.5Å; L278-Y293 HydrophobicContact CB-CE1 4.21Å; L278-Y293 HydrophobicContact CD1-CE1 4.24Å; L278-Y293 HydrophobicContact CD1-CE2 4.17Å
279	E	97.9	Very high	96.2	Very high	108 Å²	108	56 Å²	56	51%	0.505	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-46.1	177.2	-177.5	-174.7	-157.2	0	0	110.5	K261 N277 T292	K261-E279 IonicContact NZ-OE2 3.92Å; K261-E279 PolarHBondContact NZ-OE2 2.78Å; N277-E279 PolarHBondContact O-N 3.16Å; E279-T292 WeakPolarHBondContact CA-O 3.38Å; E279-T292 VanDerWaalsContact CB-O 3.3Å; E279-T292 WeakPolarHBondContact CB-O 3.17Å; E279-T292 PolarHBondContact N-O 3.32Å; E279-T292 WeakPolarHBondContact OE2-CG2 3.22Å
280	S	98.3	Very high	96.4	Very high	56 Å²	56	55.7 Å²	55.7	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154.9	178.3	65.5	0	0	0	0	112.5	L278 T292	L278-S280 WeakPolarHBondContact CD1-O 3.31Å; S280-T292 PolarHBondContact N-O 3.5Å; S280-T292 PolarHBondContact O-N 3.31Å
281	T	98.4	Very high	96.5	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.411	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.2	165.9	-63.7	0	0	0	0	108.4	C289 L290 D291	T281-C289 HydrophobicContact CG2-CB 3.94Å; T281-L290 CarbonylContact C-O 3.48Å; T281-L290 WeakPolarHBondContact CA-O 3.46Å; T281-D291 WeakPolarHBondContact CB-OD1 3.17Å; T281-D291 VanDerWaalsContact CG2-OD1 3.25Å; T281-D291 WeakPolarHBondContact CG2-OD1 3.31Å; T281-D291 PolarHBondContact OG1-OD1 3.23Å
282	K	97.7	Very high	96.7	Very high	137 Å²	137	54.4 Å²	54.4	60%	0.596	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	175.1	-178.3	178.6	177.1	-177.3	0	109.9	L284 C289 L290	K282-L284 PolarHBondContact O-N 3.1Å; K282-C289 CarbonylContact O-C 3.57Å; K282-C289 WeakPolarHBondContact O-CA 3.36Å; K282-L290 PolarHBondContact N-O 3.28Å; K282-L290 PolarHBondContact O-N 3.42Å
283	V	96.3	Very high	96.7	Very high	106 Å²	106	54.5 Å²	54.5	64%	0.642	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	128	170.2	-176.3	0	0	0	0	108.6
284	L	94.5	Very high	96.7	Very high	60 Å²	60	56.3 Å²	56.3	31%	0.314	29%	0.291	S	S	.	.			trans	-95.2	-123.3	175.8	-60.6	-177.3	0	0	0	109.5	I265 K282 W288 L290	I265-L284 HydrophobicContact CD1-CD1 4.24Å; I265-L284 HydrophobicContact CG1-CD1 4.2Å; I265-L284 HydrophobicContact CG2-CD1 3.91Å; K282-L284 PolarHBondContact O-N 3.1Å; L284-W288 HydrophobicContact CB-CB 4.34Å; L284-W288 PolarHBondContact N-O 3.42Å; L284-L290 HydrophobicContact CD1-CB 3.99Å; L284-L290 HydrophobicContact CD2-CB 4.02Å; L284-L290 HydrophobicContact CG-CB 3.97Å
285	Y	91.1	Very high	96.7	Very high	120 Å²	120	59 Å²	59	47%	0.471	31%	0.307	S	S	.	.	S	Bend	trans	-107.9	161.1	178.6	54.7	-89.5	0	0	0	110.4	N287 W288	Y285-N287 VanDerWaalsContact C-N 3.28Å; Y285-N287 PolarHBondContact O-N 3.36Å; Y285-W288 AromaticContact CE2-CD1 3.83Å; Y285-W288 HydrophobicContact CE2-CG 4.36Å; Y285-W288 VanDerWaalsContact O-CB 3.3Å; Y285-W288 WeakPolarHBondContact O-CB 3.2Å; Y285-W288 PolarHBondContact O-N 2.75Å
286	D	88.4	Confident	96.7	Very high	132 Å²	132	59.1 Å²	59.1	71%	0.706	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	44.6	167.9	-56.3	-34	0	0	0	116.2	W288	D286-W288 VanDerWaalsContact C-N 3.26Å; D286-W288 PolarHBondContact O-N 3.47Å
287	N	91.3	Very high	96.6	Very high	77 Å²	77	59.7 Å²	59.7	41%	0.412	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	15.3	-177.8	-55	-57.5	0	0	0	115.9	H267 K268 Y285	H267-N287 WeakPolarHBondContact NE2-CB 3.27Å; K268-N287 HydrophobicContact CB-CB 4.47Å; K268-N287 VanDerWaalsContact CB-O 3.27Å; K268-N287 WeakPolarHBondContact CB-O 3.47Å; K268-N287 HydrophobicContact CD-CB 3.61Å; K268-N287 WeakPolarHBondContact CD-OD1 3.37Å; K268-N287 VanDerWaalsContact CE-CG 3.45Å; K268-N287 WeakPolarHBondContact CE-OD1 3.41Å; K268-N287 HydrophobicContact CG-CB 3.85Å; K268-N287 PolarHBondContact N-O 3.2Å; K268-N287 PolarHBondContact NZ-OD1 2.87Å; Y285-N287 VanDerWaalsContact C-N 3.28Å; Y285-N287 PolarHBondContact O-N 3.36Å
288	W	96.5	Very high	96.7	Very high	36 Å²	36	61.7 Å²	61.7	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.4	169.7	-68.4	88.4	0	0	0	111.3	Q114 V115 H116 I265 R266 L284 Y285 D286	Q114-W288 HydrophobicContact CG-CE3 4.25Å; Q114-W288 HydrophobicContact CG-CH2 4.16Å; Q114-W288 HydrophobicContact CG-CZ3 3.72Å; V115-W288 WeakPolarHBondContact O-CH2 3.23Å; V115-W288 WeakPolarHBondContact O-CZ3 3.23Å; H116-W288 AromaticContact CE1-CH2 3.96Å; H116-W288 AromaticContact ND1-CH2 3.51Å; H116-W288 AromaticContact ND1-CZ2 3.77Å; I265-W288 HydrophobicContact CG2-CB 4.37Å; I265-W288 HydrophobicContact CG2-CD2 4.42Å; I265-W288 HydrophobicContact CG2-CE3 3.69Å; I265-W288 HydrophobicContact CG2-CZ3 4.34Å; R266-W288 WeakPolarHBondContact O-CA 3.43Å; L284-W288 HydrophobicContact CB-CB 4.34Å; L284-W288 PolarHBondContact N-O 3.42Å; Y285-W288 AromaticContact CE2-CD1 3.83Å; Y285-W288 HydrophobicContact CE2-CG 4.36Å; Y285-W288 VanDerWaalsContact O-CB 3.3Å; Y285-W288 WeakPolarHBondContact O-CB 3.2Å; Y285-W288 PolarHBondContact O-N 2.75Å; D286-W288 VanDerWaalsContact C-N 3.26Å; D286-W288 PolarHBondContact O-N 3.47Å
289	C	97.9	Very high	96.7	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	176.6	-64.3	0	0	0	0	109.5	I265 R266 T281 K282	I265-C289 WeakPolarHBondContact CA-O 3.29Å; R266-C289 PolarHBondContact N-O 3.48Å; R266-C289 PolarHBondContact O-N 2.94Å; T281-C289 HydrophobicContact CG2-CB 3.94Å; K282-C289 CarbonylContact O-C 3.57Å; K282-C289 WeakPolarHBondContact O-CA 3.36Å
290	L	98.5	Very high	96.7	Very high	39 Å²	39	53 Å²	53	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.1	168.3	171.2	61.6	0	0	0	108.7	N263 I265 T281 K282 L284	N263-L290 HydrophobicContact CB-CD1 3.89Å; I265-L290 HydrophobicContact CG1-CD1 3.82Å; T281-L290 CarbonylContact C-O 3.48Å; T281-L290 WeakPolarHBondContact CA-O 3.46Å; K282-L290 PolarHBondContact N-O 3.28Å; K282-L290 PolarHBondContact O-N 3.42Å; L284-L290 HydrophobicContact CD1-CB 3.99Å; L284-L290 HydrophobicContact CD2-CB 4.02Å; L284-L290 HydrophobicContact CG-CB 3.97Å
291	D	98.7	Very high	96.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.011	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.8	168.1	-73.7	-15.4	0	0	0	109.4	N263 I264 R266 S272 L278 T281 Y293	N263-D291 CarbonylContact C-O 3.57Å; N263-D291 WeakPolarHBondContact CA-O 3.36Å; I264-D291 PolarHBondContact N-O 3.03Å; I264-D291 PolarHBondContact O-N 2.84Å; R266-D291 IonicContact CZ-OD1 2.9Å; R266-D291 IonicContact CZ-OD2 2.67Å; R266-D291 IonicContact NE-OD1 2.83Å; R266-D291 IonicContact NE-OD2 3.63Å; R266-D291 PolarHBondContact NE-OD2 2.82Å; R266-D291 IonicContact NH2-OD1 3.15Å; R266-D291 PolarHBondContact NH2-OD1 3.08Å; R266-D291 IonicContact NH2-OD2 2.67Å; R266-D291 PolarHBondContact NH2-OD2 2.85Å; S272-D291 WeakPolarHBondContact CB-OD2 3.43Å; S272-D291 WeakPolarHBondContact OG-CB 3.17Å; S272-D291 PolarHBondContact OG-OD2 2.93Å; L278-D291 HydrophobicContact CD1-CB 3.6Å; T281-D291 WeakPolarHBondContact CB-OD1 3.17Å; T281-D291 VanDerWaalsContact CG2-OD1 3.25Å; T281-D291 WeakPolarHBondContact CG2-OD1 3.31Å; T281-D291 PolarHBondContact OG1-OD1 3.23Å; D291-Y293 HydrophobicContact CB-CE2 3.9Å
292	T	98.8	Very high	96.7	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.6	174.3	-65.1	0	0	0	0	108.9	K261 N263 E279 S280	K261-T292 VanDerWaalsContact CE-CG2 3.43Å; N263-T292 WeakPolarHBondContact OD1-CB 3.48Å; N263-T292 WeakPolarHBondContact OD1-CG2 3.49Å; N263-T292 PolarHBondContact OD1-OG1 3.23Å; E279-T292 WeakPolarHBondContact CA-O 3.38Å; E279-T292 VanDerWaalsContact CB-O 3.3Å; E279-T292 WeakPolarHBondContact CB-O 3.17Å; E279-T292 PolarHBondContact N-O 3.32Å; E279-T292 WeakPolarHBondContact OE2-CG2 3.22Å; S280-T292 PolarHBondContact N-O 3.5Å; S280-T292 PolarHBondContact O-N 3.31Å
293	Y	98.7	Very high	96.7	Very high	8 Å²	8	40.7 Å²	40.7	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	155.1	178.5	-71.5	-91.4	0	0	0	111.8	K261 V262 I264 S272 L273 M276 L278 D291	K261-Y293 WeakPolarHBondContact CD-O 3.28Å; K261-Y293 VanDerWaalsContact CE-O 3.31Å; K261-Y293 WeakPolarHBondContact CE-O 3.44Å; K261-Y293 PolarHBondContact NZ-O 2.92Å; V262-Y293 PolarHBondContact O-N 3.3Å; I264-Y293 HydrophobicContact CD1-CD2 4.29Å; I264-Y293 HydrophobicContact CD1-CE2 3.64Å; I264-Y293 HydrophobicContact CG1-CE2 4.13Å; S272-Y293 PolarHBondContact O-OH 3.35Å; S272-Y293 WeakPolarHBondContact OG-CE2 3.33Å; S272-Y293 PolarHBondContact OG-OH 3.31Å; L273-Y293 WeakPolarHBondContact CA-OH 3.42Å; L273-Y293 PolarHBondContact N-OH 3.32Å; M276-Y293 WeakPolarHBondContact O-CD1 3.45Å; L278-Y293 HydrophobicContact CB-CD1 4.5Å; L278-Y293 HydrophobicContact CB-CE1 4.21Å; L278-Y293 HydrophobicContact CD1-CE1 4.24Å; L278-Y293 HydrophobicContact CD1-CE2 4.17Å; D291-Y293 HydrophobicContact CB-CE2 3.9Å
294	N	98.4	Very high	96.8	Very high	49 Å²	49	35.7 Å²	35.7	26%	0.262	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-62	153.9	170.7	-80.9	-39.4	0	0	0	112	M276 N277 S296	M276-N294 HydrophobicContact CB-CB 4.05Å; M276-N294 WeakPolarHBondContact CB-O 3.42Å; M276-N294 VanDerWaalsContact CG-O 3.22Å; M276-N294 WeakPolarHBondContact CG-O 3.44Å; N277-N294 PolarHBondContact ND2-ND2 2.9Å; N277-N294 PolarHBondContact O-N 3.09Å; N277-N294 PolarHBondContact OD1-ND2 2.97Å; N294-S296 PolarHBondContact O-N 3.14Å
295	T	98.5	Very high	97	Very high	57 Å²	57	32.8 Å²	32.8	35%	0.35	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-63.8	131.6	176.6	-59.3	0	0	0	0	110.5	F108 K259 F260	F108-T295 HydrophobicContact CD2-CG2 4.34Å; F108-T295 HydrophobicContact CE2-CG2 3.61Å; K259-T295 HydrophobicContact CB-CG2 3.99Å; K259-T295 HydrophobicContact CD-CG2 4.17Å; F260-T295 CarbonylContact O-C 3.49Å; F260-T295 WeakPolarHBondContact O-CA 3.28Å
296	S	98.3	Very high	97.3	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.4	164	178.1	79.6	0	0	0	0	113.4	K259 F260 N294	K259-S296 WeakPolarHBondContact CG-O 3.26Å; F260-S296 PolarHBondContact N-OG 3.08Å; F260-S296 PolarHBondContact O-N 2.98Å; N294-S296 PolarHBondContact O-N 3.14Å
297	V	97.1	Very high	97.8	Very high	29 Å²	29	20.9 Å²	20.9	18%	0.176	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-65.1	169.6	158.1	-62.2	0	0	0	0	110.6	M299 L360 W379 Y528	V297-M299 PolarHBondContact O-N 3.35Å; V297-L360 HydrophobicContact CB-CD2 4.48Å; V297-L360 HydrophobicContact CG1-CD2 3.73Å; V297-L360 HydrophobicContact CG2-CD2 3.93Å; V297-W379 HydrophobicContact CG2-CD2 3.9Å; V297-W379 HydrophobicContact CG2-CE3 3.83Å; V297-W379 HydrophobicContact CG2-CH2 3.65Å; V297-W379 HydrophobicContact CG2-CZ2 3.73Å; V297-W379 HydrophobicContact CG2-CZ3 3.72Å; V297-Y528 HydrophobicContact CB-CE1 4Å; V297-Y528 HydrophobicContact CG1-CE1 4.39Å; V297-Y528 HydrophobicContact CG2-CE1 4.33Å
298	K	97.4	Very high	98.2	Very high	99 Å²	99	17.3 Å²	17.3	43%	0.43	9%	0.09	S	C	.	.	S	Bend	trans	-70.6	115.5	176.9	179	174.9	-178.7	-176.1	0	109.3	K257 A258	K257-K298 HydrophobicContact CB-CD 4.25Å; K257-K298 HydrophobicContact CB-CG 3.66Å; K257-K298 WeakPolarHBondContact O-CE 3.45Å; A258-K298 WeakPolarHBondContact O-CA 3.08Å
299	M	98.1	Very high	98.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-144.9	160.9	-173.5	68.3	-174.5	-171.1	0	0	112	K257 A258 F260 N275 V297 L303 L304 W379	K257-M299 CarbonylContact C-O 3.57Å; K257-M299 VanDerWaalsContact CA-O 3.25Å; K257-M299 WeakPolarHBondContact CA-O 3.23Å; A258-M299 PolarHBondContact N-O 3.34Å; A258-M299 PolarHBondContact O-N 3.39Å; F260-M299 HydrophobicContact CB-CE 4.2Å; F260-M299 HydrophobicContact CD2-CE 3.45Å; F260-M299 VanDerWaalsContact CD2-CE 3.45Å; F260-M299 HydrophobicContact CD2-CG 3.95Å; F260-M299 HydrophobicContact CE2-CE 4.05Å; F260-M299 HydrophobicContact CE2-CG 3.96Å; F260-M299 HydrophobicContact CG-CE 3.96Å; N275-M299 HydrophobicContact CB-CE 4.37Å; V297-M299 PolarHBondContact O-N 3.35Å; M299-L303 HydrophobicContact CB-CD1 4.16Å; M299-L303 HydrophobicContact SD-CB 4.43Å; M299-L304 HydrophobicContact CE-CB 4.27Å; M299-L304 HydrophobicContact CE-CD1 4.09Å; M299-W379 HydrophobicContact CB-CE3 3.6Å; M299-W379 HydrophobicContact CB-CZ3 3.81Å; M299-W379 HydrophobicContact SD-CB 4.39Å; M299-W379 HydrophobicContact SD-CE3 4.46Å
300	S	98	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.			trans	-75.4	154.8	176.1	-56.1	0	0	0	0	110.8	P254 K257 Y302 L303	P254-S300 PolarHBondContact O-OG 3.37Å; K257-S300 WeakPolarHBondContact CE-OG 3.21Å; K257-S300 WeakPolarHBondContact CG-OG 3.44Å; S300-Y302 VanDerWaalsContact C-N 3.27Å; S300-Y302 PolarHBondContact O-N 2.78Å; S300-L303 PolarHBondContact O-N 3.23Å
301	T	98.2	Very high	98	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58.4	-38.1	-176.8	47.9	0	0	0	0	113	C250 W251 D252 F260 L303 L304	C250-T301 HydrophobicContact CB-CG2 4.21Å; W251-T301 WeakPolarHBondContact O-CG2 3.33Å; D252-T301 PolarHBondContact OD1-OG1 3.37Å; F260-T301 HydrophobicContact CZ-CG2 4.12Å; T301-L303 PolarHBondContact O-N 3.23Å; T301-L303 VanDerWaalsContact O-N 3.12Å; T301-L304 WeakPolarHBondContact O-CB 3.35Å; T301-L304 PolarHBondContact O-N 2.66Å; T301-L304 VanDerWaalsContact O-N 3.14Å
302	Y	97.5	Very high	98	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.4	-176.7	87	-99.4	0	0	0	113.5	E240 S300 M376 E377 G418 T422 M423 W426 N432	E240-Y302 HydrophobicContact CB-CD2 3.88Å; E240-Y302 HydrophobicContact CG-CD2 3.91Å; E240-Y302 HydrophobicContact CG-CE2 4.34Å; S300-Y302 VanDerWaalsContact C-N 3.27Å; S300-Y302 PolarHBondContact O-N 2.78Å; Y302-M376 HydrophobicContact CD2-CE 3.49Å; Y302-M376 VanDerWaalsContact CD2-CE 3.49Å; Y302-M376 HydrophobicContact CE2-CE 3.65Å; Y302-E377 WeakPolarHBondContact CE2-OE1 3.27Å; Y302-E377 PolarHBondContact OH-OE1 3.47Å; Y302-G418 PolarHBondContact OH-O 3.12Å; Y302-T422 HydrophobicContact CE1-CG2 3.91Å; Y302-M423 HydrophobicContact CE1-CE 4.32Å; Y302-W426 HydrophobicContact CD1-CH2 4.17Å; Y302-W426 HydrophobicContact CE1-CH2 4.49Å; Y302-W426 HydrophobicContact CG-CH2 4.29Å; Y302-N432 PolarHBondContact OH-ND2 2.9Å
303	L	98.5	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-84.5	-15.1	179.1	-65.8	174.1	0	0	0	113.9	N275 M299 S300 T301 A305 E377 N378 W379 N419	N275-L303 PolarHBondContact ND2-O 3.46Å; M299-L303 HydrophobicContact CB-CD1 4.16Å; M299-L303 HydrophobicContact SD-CB 4.43Å; S300-L303 PolarHBondContact O-N 3.23Å; T301-L303 PolarHBondContact O-N 3.23Å; T301-L303 VanDerWaalsContact O-N 3.12Å; L303-A305 PolarHBondContact O-N 3.13Å; L303-E377 HydrophobicContact CD2-CG 3.76Å; L303-N378 WeakPolarHBondContact O-CB 3.5Å; L303-N378 PolarHBondContact O-ND2 2.75Å; L303-N378 VanDerWaalsContact O-ND2 3.13Å; L303-W379 HydrophobicContact CD1-CE3 4.1Å; L303-N419 HydrophobicContact CD1-CB 4.29Å; L303-N419 WeakPolarHBondContact CD1-OD1 3.13Å; L303-N419 WeakPolarHBondContact CD2-OD1 3.21Å
304	L	98.6	Very high	97.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.114	C	C	.	.			trans	-62.7	133.3	177.8	176.8	75.8	0	0	0	109.9	L111 L239 F248 F260 V262 N275 M299 T301 N378	L111-L304 HydrophobicContact CD2-CD2 3.66Å; L239-L304 HydrophobicContact CD1-CB 3.78Å; L239-L304 HydrophobicContact CD1-CD2 4.21Å; L239-L304 HydrophobicContact CD1-CG 4.24Å; L239-L304 WeakPolarHBondContact CD1-O 3.25Å; L239-L304 WeakPolarHBondContact CG-O 3.26Å; F248-L304 HydrophobicContact CE1-CD2 3.56Å; F248-L304 HydrophobicContact CZ-CD2 3.78Å; F260-L304 HydrophobicContact CB-CD1 4.36Å; F260-L304 HydrophobicContact CD1-CD1 4.2Å; F260-L304 HydrophobicContact CD1-CD2 4.23Å; F260-L304 HydrophobicContact CE1-CD2 4.32Å; F260-L304 HydrophobicContact CG-CD1 4.29Å; V262-L304 HydrophobicContact CG2-CD1 3.65Å; N275-L304 WeakPolarHBondContact OD1-CA 3.31Å; M299-L304 HydrophobicContact CE-CB 4.27Å; M299-L304 HydrophobicContact CE-CD1 4.09Å; T301-L304 WeakPolarHBondContact O-CB 3.35Å; T301-L304 PolarHBondContact O-N 2.66Å; T301-L304 VanDerWaalsContact O-N 3.14Å; L304-N378 PolarHBondContact O-ND2 2.86Å
305	A	98.4	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.			trans	-128	141.8	176.1	0	0	0	0	0	112.6	T237 S274 N275 L303 N378 L381	T237-A305 VanDerWaalsContact OG1-CA 3.26Å; T237-A305 WeakPolarHBondContact OG1-CA 3.07Å; S274-A305 VanDerWaalsContact CA-O 3.28Å; S274-A305 WeakPolarHBondContact CA-O 3.42Å; S274-A305 WeakPolarHBondContact CB-O 3.31Å; S274-A305 PolarHBondContact OG-O 3.46Å; N275-A305 PolarHBondContact OD1-N 3.08Å; N275-A305 PolarHBondContact OD1-O 3.34Å; L303-A305 PolarHBondContact O-N 3.13Å; A305-N378 HydrophobicContact CB-CB 3.59Å; A305-L381 HydrophobicContact CB-CB 4.22Å; A305-L381 HydrophobicContact CB-CD2 3.91Å; A305-L381 HydrophobicContact CB-CG 4.21Å
306	I	98.6	Very high	97.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.6	174.1	-64	177.8	0	0	0	106.8	I113 L220 S236 T237 V262 I264 L273 V308	I113-I306 HydrophobicContact CB-CD1 4.42Å; I113-I306 HydrophobicContact CG1-CD1 3.98Å; L220-I306 HydrophobicContact CD1-CG2 4.33Å; S236-I306 CarbonylContact C-O 3.51Å; S236-I306 WeakPolarHBondContact CA-O 3.46Å; T237-I306 HydrophobicContact CG2-CB 3.77Å; T237-I306 HydrophobicContact CG2-CG1 4.45Å; T237-I306 PolarHBondContact N-O 3.03Å; T237-I306 VanDerWaalsContact N-O 3.13Å; T237-I306 PolarHBondContact OG1-N 2.88Å; T237-I306 PolarHBondContact OG1-O 2.9Å; V262-I306 HydrophobicContact CG1-CD1 4.3Å; V262-I306 HydrophobicContact CG1-CG1 4.4Å; I264-I306 HydrophobicContact CD1-CB 4.43Å; I264-I306 HydrophobicContact CD1-CG1 4.26Å; I264-I306 HydrophobicContact CD1-CG2 3.78Å; I264-I306 HydrophobicContact CG1-CG2 4.36Å; L273-I306 WeakPolarHBondContact O-CA 3.45Å; I306-V308 HydrophobicContact CG2-CG2 4.49Å
307	V	98.5	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134	169.3	-178.6	0	0	0	0	109.4	A235 S272 L273 I366 I368 L381	A235-V307 CarbonylContact O-C 3.52Å; A235-V307 WeakPolarHBondContact O-CA 3.26Å; S272-V307 CarbonylContact C-O 3.57Å; S272-V307 WeakPolarHBondContact CA-O 3.48Å; L273-V307 HydrophobicContact CB-CB 4.32Å; L273-V307 PolarHBondContact N-O 2.89Å; L273-V307 PolarHBondContact O-N 2.91Å; V307-I366 HydrophobicContact CB-CD1 4.36Å; V307-I366 HydrophobicContact CG1-CD1 3.72Å; V307-I366 HydrophobicContact CG2-CD1 4.43Å; V307-I366 HydrophobicContact CG2-CG2 4.48Å; V307-I368 HydrophobicContact CG1-CD1 4.45Å; V307-L381 HydrophobicContact CG2-CD2 4.12Å
308	V	98.5	Very high	97.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	111.8	172	-178.9	0	0	0	0	108.1	V115 L117 L234 A235 I264 R266 F270 H271 I306	V115-V308 HydrophobicContact CB-CG2 4.1Å; V115-V308 HydrophobicContact CG1-CB 4.42Å; V115-V308 HydrophobicContact CG1-CG2 4.43Å; V115-V308 HydrophobicContact CG2-CG2 3.77Å; L117-V308 HydrophobicContact CD1-CB 4.48Å; L117-V308 HydrophobicContact CD1-CG1 4.11Å; L234-V308 WeakPolarHBondContact CA-O 3.32Å; L234-V308 WeakPolarHBondContact CB-O 3.3Å; A235-V308 HydrophobicContact CB-CB 4.44Å; A235-V308 PolarHBondContact N-O 3.45Å; A235-V308 PolarHBondContact O-N 3.49Å; I264-V308 HydrophobicContact CG2-CG2 3.91Å; R266-V308 HydrophobicContact CB-CG1 4.07Å; F270-V308 HydrophobicContact CB-CG1 3.71Å; F270-V308 HydrophobicContact CD1-CG1 4.18Å; F270-V308 HydrophobicContact CG-CG1 4.01Å; H271-V308 WeakPolarHBondContact O-CA 3.41Å; I306-V308 HydrophobicContact CG2-CG2 4.49Å
309	S	97	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	176.4	-170.4	84.8	0	0	0	0	113.5	F270 H271 F311	F270-S309 WeakPolarHBondContact CA-O 3.24Å; H271-S309 PolarHBondContact CE1-O 2.82Å; H271-S309 PolarHBondContact CE1-OG 3.02Å; H271-S309 VanDerWaalsContact CE1-OG 3.3Å; H271-S309 PolarHBondContact N-O 3.42Å; H271-S309 PolarHBondContact ND1-O 2.77Å; H271-S309 PolarHBondContact NE2-OG 3.06Å; H271-S309 PolarHBondContact O-N 3.04Å; H271-S309 VanDerWaalsContact O-N 3.11Å; S309-F311 WeakPolarHBondContact OG-CB 3.13Å; S309-F311 WeakPolarHBondContact OG-CG 3.28Å; S309-F311 PolarHBondContact OG-N 2.74Å
310	R	95.5	Very high	97	Very high	60 Å²	60	39.2 Å²	39.2	23%	0.226	18%	0.182	C	C	.	.			trans	-109.3	18.2	171.2	-65.6	-174.8	173.1	134.4	-0.5	113.1	D119 E232 S269 F270	D119-R310 IonicContact OD1-CZ 3.2Å; D119-R310 IonicContact OD1-NH1 3.59Å; D119-R310 IonicContact OD1-NH2 2.75Å; D119-R310 PolarHBondContact OD1-NH2 2.78Å; E232-R310 IonicContact OE2-CZ 2.79Å; E232-R310 IonicContact OE2-NH1 2.66Å; E232-R310 PolarHBondContact OE2-NH1 2.92Å; S269-R310 WeakPolarHBondContact O-CG 3.39Å; S269-R310 PolarHBondContact O-NE 3.11Å; S269-R310 PolarHBondContact OG-NH2 2.88Å; F270-R310 HydrophobicContact CD1-CG 3.78Å; F270-R310 HydrophobicContact CE1-CG 3.88Å; F270-R310 HydrophobicContact CG-CG 4.45Å
311	F	97.3	Very high	96.9	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.039	21%	0.21	C	C	.	.			trans	-60.7	152.8	-178	-71.8	3.9	0	0	0	114.2	Y225 L234 H271 S309 A328 R329 I366 A367 I368 P369	Y225-F311 HydrophobicContact CD1-CE1 4.12Å; Y225-F311 HydrophobicContact CE1-CD1 4.3Å; Y225-F311 AromaticContact CE1-CE1 3.6Å; Y225-F311 HydrophobicContact CE1-CE1 3.6Å; L234-F311 HydrophobicContact CD1-CE1 4.14Å; L234-F311 HydrophobicContact CD1-CE2 4.03Å; L234-F311 HydrophobicContact CD1-CZ 3.52Å; L234-F311 HydrophobicContact CD2-CE1 4.38Å; L234-F311 HydrophobicContact CD2-CZ 4.27Å; L234-F311 HydrophobicContact CG-CZ 4.49Å; H271-F311 PolarHBondContact CE1-N 2.99Å; H271-F311 PolarHBondContact CE1-O 2.68Å; S309-F311 WeakPolarHBondContact OG-CB 3.13Å; S309-F311 WeakPolarHBondContact OG-CG 3.28Å; S309-F311 PolarHBondContact OG-N 2.74Å; F311-A328 WeakPolarHBondContact CA-O 3.31Å; F311-A328 VanDerWaalsContact CB-O 3.27Å; F311-A328 WeakPolarHBondContact CB-O 3.42Å; F311-R329 HydrophobicContact CD1-CB 4.11Å; F311-R329 HydrophobicContact CE1-CB 3.95Å; F311-I366 HydrophobicContact CD2-CD1 3.57Å; F311-I366 HydrophobicContact CD2-CG1 3.74Å; F311-I366 HydrophobicContact CE2-CD1 3.89Å; F311-I366 HydrophobicContact CE2-CG1 3.81Å; F311-A367 WeakPolarHBondContact CE2-O 3.46Å; F311-I368 HydrophobicContact CE2-CD1 4.22Å; F311-P369 HydrophobicContact CZ-CG 4.37Å
312	S	97.4	Very high	96.7	Very high	43 Å²	43	43 Å²	43	30%	0.301	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	165.1	167.3	-68.1	0	0	0	0	110.1	W327 A328 I333	S312-W327 WeakPolarHBondContact O-CA 3.45Å; S312-A328 PolarHBondContact N-O 3.44Å; S312-A328 PolarHBondContact O-N 3.26Å; S312-A328 VanDerWaalsContact O-O 3.09Å; S312-I333 WeakPolarHBondContact O-CD1 3.41Å
313	N	98.2	Very high	96.7	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.7	175.6	63.3	96.6	0	0	0	113.1	R315 T325 V326 W327	N313-R315 PolarHBondContact OD1-NE 3.32Å; N313-R315 PolarHBondContact OD1-NH2 2.74Å; N313-T325 HydrophobicContact CB-CG2 3.55Å; N313-V326 VanDerWaalsContact CA-O 3.25Å; N313-V326 WeakPolarHBondContact CA-O 3.44Å; N313-W327 HydrophobicContact CB-CD2 3.68Å; N313-W327 HydrophobicContact CB-CE3 3.62Å; N313-W327 HydrophobicContact CB-CG 4.26Å; N313-W327 HydrophobicContact CB-CH2 4.14Å; N313-W327 HydrophobicContact CB-CZ2 4.18Å; N313-W327 HydrophobicContact CB-CZ3 3.87Å; N313-W327 WeakPolarHBondContact ND2-CH2 3.47Å; N313-W327 WeakPolarHBondContact ND2-CZ3 3.48Å
314	I	98.3	Very high	96.7	Very high	49 Å²	49	46.7 Å²	46.7	25%	0.251	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.8	160.2	52.9	170	0	0	0	107.9	T325 V326 I333 A336 K337 L340	I314-T325 WeakPolarHBondContact O-CA 3.5Å; I314-V326 HydrophobicContact CG1-CB 4.24Å; I314-V326 PolarHBondContact N-O 2.95Å; I314-V326 PolarHBondContact O-N 3.15Å; I314-I333 HydrophobicContact CG1-CD1 4.35Å; I314-I333 HydrophobicContact CG2-CG1 4.08Å; I314-A336 HydrophobicContact CD1-CB 3.83Å; I314-A336 HydrophobicContact CG1-CB 4.23Å; I314-K337 HydrophobicContact CD1-CB 4.3Å; I314-L340 HydrophobicContact CB-CD2 4.23Å; I314-L340 HydrophobicContact CD1-CB 4.06Å; I314-L340 HydrophobicContact CD1-CD2 3.85Å; I314-L340 HydrophobicContact CG1-CD2 3.99Å
315	R	97.6	Very high	96.7	Very high	143 Å²	143	47 Å²	47	54%	0.54	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.9	-176.5	69.1	-178.8	70.9	-171.4	-0.9	112.3	N313 F324 T325	N313-R315 PolarHBondContact OD1-NE 3.32Å; N313-R315 PolarHBondContact OD1-NH2 2.74Å; R315-F324 CarbonylContact C-O 3.59Å; R315-F324 VanDerWaalsContact CA-O 3.26Å; R315-F324 WeakPolarHBondContact CA-O 3.45Å; R315-T325 HydrophobicContact CB-CG2 4.09Å
316	R	98	Very high	96.7	Very high	113 Å²	113	47 Å²	47	43%	0.426	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.1	168.4	-171.6	-176.3	-62.7	151.7	7.9	109	F324 L340 D341 I344	R316-F324 PolarHBondContact N-O 2.95Å; R316-F324 PolarHBondContact O-N 2.84Å; R316-F324 VanDerWaalsContact O-O 3.13Å; R316-L340 HydrophobicContact CB-CD1 4.49Å; R316-L340 HydrophobicContact CB-CD2 4.41Å; R316-D341 IonicContact CZ-OD1 3.13Å; R316-D341 IonicContact NH1-OD1 3.94Å; R316-D341 PolarHBondContact NH1-OD1 2.86Å; R316-D341 IonicContact NH2-OD1 3.93Å; R316-D341 PolarHBondContact NH2-OD1 2.88Å; R316-I344 HydrophobicContact CB-CD1 3.77Å; R316-I344 HydrophobicContact CG-CD1 4.16Å
317	T	96.6	Very high	96.7	Very high	77 Å²	77	48 Å²	48	47%	0.472	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.7	169.7	-53	0	0	0	0	109	G321 R322	T317-G321 VanDerWaalsContact CG2-C 3.45Å; T317-G321 VanDerWaalsContact CG2-CA 3.47Å; T317-R322 CarbonylContact C-O 3.14Å; T317-R322 VanDerWaalsContact CA-O 3.3Å; T317-R322 WeakPolarHBondContact CA-O 3.48Å
318	D	93.8	Very high	96.6	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.064	24%	0.238	C	C	.	.			trans	-76.7	176.8	175.6	74.7	8.3	0	0	0	112.5	R320 G321 R322 I344	D318-R320 PolarHBondContact O-N 2.85Å; D318-R320 WeakPolarHBondContact OD1-CA 3.05Å; D318-R320 PolarHBondContact OD1-N 2.94Å; D318-G321 PolarHBondContact O-N 3.28Å; D318-G321 PolarHBondContact OD1-N 2.84Å; D318-R322 PolarHBondContact N-O 3.32Å; D318-R322 PolarHBondContact OD1-N 2.6Å; D318-R322 IonicContact OD1-NE 3.46Å; D318-R322 IonicContact OD2-CZ 3.85Å; D318-R322 IonicContact OD2-NE 3.32Å; D318-R322 PolarHBondContact OD2-NE 3.25Å; D318-R322 IonicContact OD2-NH2 2.66Å; D318-R322 PolarHBondContact OD2-NH2 3.11Å; D318-I344 HydrophobicContact CB-CG2 4.03Å
319	N	90.4	Very high	96.4	Very high	128 Å²	128	48 Å²	48	68%	0.684	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.2	-178.3	-65.9	-15.1	0	0	0	113.7	E348	N319-E348 PolarHBondContact ND2-OE1 3.47Å; N319-E348 PolarHBondContact ND2-OE2 3.24Å
320	R	92.3	Very high	96.2	Very high	130 Å²	130	49.9 Å²	49.9	49%	0.491	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8.8	178.6	-61.3	-169.3	178.4	-153.6	-2.9	112.8	D318 E351	D318-R320 PolarHBondContact O-N 2.85Å; D318-R320 WeakPolarHBondContact OD1-CA 3.05Å; D318-R320 PolarHBondContact OD1-N 2.94Å; R320-E351 IonicContact CZ-OE1 2.8Å; R320-E351 IonicContact CZ-OE2 2.69Å; R320-E351 IonicContact NE-OE1 3.46Å; R320-E351 IonicContact NE-OE2 3.85Å; R320-E351 PolarHBondContact NE-OE2 2.87Å; R320-E351 IonicContact NH1-OE1 2.71Å; R320-E351 PolarHBondContact NH1-OE1 3.28Å
321	G	94.7	Very high	95.9	Very high	57 Å²	57	49.8 Å²	49.8	59%	0.588	25%	0.253	S	S	*	.	S	Bend	trans	80.9	11.2	177.3	0	0	0	0	0	114.5	T317 D318	T317-G321 VanDerWaalsContact CG2-C 3.45Å; T317-G321 VanDerWaalsContact CG2-CA 3.47Å; D318-G321 PolarHBondContact O-N 3.28Å; D318-G321 PolarHBondContact OD1-N 2.84Å
322	R	95.8	Very high	95.5	Very high	23 Å²	23	50.8 Å²	50.8	9%	0.087	26%	0.257	C	S	.	.			trans	-88.2	146.9	179.1	-57.9	175.7	-64.9	-143.1	-1.2	110.5	T317 D318 E351 L360 H361	T317-R322 CarbonylContact C-O 3.14Å; T317-R322 VanDerWaalsContact CA-O 3.3Å; T317-R322 WeakPolarHBondContact CA-O 3.48Å; D318-R322 PolarHBondContact N-O 3.32Å; D318-R322 PolarHBondContact OD1-N 2.6Å; D318-R322 IonicContact OD1-NE 3.46Å; D318-R322 IonicContact OD2-CZ 3.85Å; D318-R322 IonicContact OD2-NE 3.32Å; D318-R322 PolarHBondContact OD2-NE 3.25Å; D318-R322 IonicContact OD2-NH2 2.66Å; D318-R322 PolarHBondContact OD2-NH2 3.11Å; R322-E351 IonicContact CZ-OE1 3.89Å; R322-E351 IonicContact CZ-OE2 3.97Å; R322-E351 VanDerWaalsContact NH1-CD 3.34Å; R322-E351 IonicContact NH1-OE1 3.93Å; R322-E351 PolarHBondContact NH1-OE1 3.43Å; R322-E351 IonicContact NH1-OE2 2.86Å; R322-E351 PolarHBondContact NH1-OE2 2.9Å; R322-E351 IonicContact NH2-OE1 2.68Å; R322-E351 IonicContact NH2-OE2 3.82Å; R322-E351 PolarHBondContact NH2-OE2 2.95Å; R322-L360 WeakPolarHBondContact CD-O 3.47Å; R322-H361 WeakPolarHBondContact CA-O 3.4Å; R322-H361 WeakPolarHBondContact CB-O 3.42Å
323	N	97	Very high	95.4	Very high	78 Å²	78	50 Å²	50	42%	0.417	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.3	175.1	-72.9	-28	0	0	0	110.4	H361 K362 M363	N323-H361 PolarHBondContact N-O 3.26Å; N323-K362 HydrophobicContact CB-CB 4.31Å; N323-K362 CarbonylContact O-C 3.58Å; N323-K362 WeakPolarHBondContact O-CA 3.4Å; N323-K362 WeakPolarHBondContact O-CB 3.43Å; N323-M363 PolarHBondContact O-N 3.24Å
324	F	98.4	Very high	95.1	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.4	170.9	-156.3	-65.3	0	0	0	109	R315 R316 V326 L340 I344 L347 M363 M365	R315-F324 CarbonylContact C-O 3.59Å; R315-F324 VanDerWaalsContact CA-O 3.26Å; R315-F324 WeakPolarHBondContact CA-O 3.45Å; R316-F324 PolarHBondContact N-O 2.95Å; R316-F324 PolarHBondContact O-N 2.84Å; R316-F324 VanDerWaalsContact O-O 3.13Å; F324-V326 HydrophobicContact CE1-CG2 4.32Å; F324-L340 HydrophobicContact CB-CD1 4.39Å; F324-L340 HydrophobicContact CD1-CD1 3.65Å; F324-L340 HydrophobicContact CE1-CD1 4.42Å; F324-L340 HydrophobicContact CG-CD1 4.39Å; F324-L340 WeakPolarHBondContact O-CD1 3.1Å; F324-I344 HydrophobicContact CB-CD1 4.06Å; F324-I344 HydrophobicContact CB-CG1 3.73Å; F324-I344 HydrophobicContact CD1-CG1 4.1Å; F324-I344 HydrophobicContact CD2-CG1 3.75Å; F324-I344 HydrophobicContact CE2-CG1 4.38Å; F324-I344 HydrophobicContact CG-CD1 4.34Å; F324-I344 HydrophobicContact CG-CG1 3.59Å; F324-L347 HydrophobicContact CD2-CD2 4.18Å; F324-L347 HydrophobicContact CE2-CB 4.4Å; F324-L347 HydrophobicContact CE2-CD2 4.09Å; F324-M363 CarbonylContact C-O 3.59Å; F324-M363 WeakPolarHBondContact CA-O 3.1Å; F324-M363 HydrophobicContact CD2-CB 3.76Å; F324-M363 HydrophobicContact CD2-CG 4.03Å; F324-M363 HydrophobicContact CE1-CG 4.3Å; F324-M363 HydrophobicContact CE2-CB 3.83Å; F324-M363 HydrophobicContact CE2-CG 3.57Å; F324-M363 HydrophobicContact CG-CB 4.25Å; F324-M363 HydrophobicContact CZ-CB 4.37Å; F324-M363 HydrophobicContact CZ-CG 3.72Å; F324-M365 HydrophobicContact CE1-CG 4.15Å; F324-M365 HydrophobicContact CE1-SD 3.51Å; F324-M365 VanDerWaalsContact CE1-SD 3.51Å; F324-M365 HydrophobicContact CZ-CG 4.3Å; F324-M365 HydrophobicContact CZ-SD 3.54Å; F324-M365 VanDerWaalsContact CZ-SD 3.54Å
325	T	98.5	Very high	94.8	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138	-173.9	-47.1	0	0	0	0	110.6	N313 I314 R315 W327 M363 D364 M365	N313-T325 HydrophobicContact CB-CG2 3.55Å; I314-T325 WeakPolarHBondContact O-CA 3.5Å; R315-T325 HydrophobicContact CB-CG2 4.09Å; T325-W327 HydrophobicContact CG2-CD2 4.3Å; T325-W327 HydrophobicContact CG2-CG 4.47Å; T325-W327 HydrophobicContact CG2-CZ2 3.87Å; T325-W327 VanDerWaalsContact CG2-NE1 3.3Å; T325-M363 PolarHBondContact N-O 2.75Å; T325-D364 VanDerWaalsContact CB-OD1 3.23Å; T325-D364 WeakPolarHBondContact CB-OD1 3.45Å; T325-D364 CarbonylContact O-C 3.43Å; T325-D364 WeakPolarHBondContact O-CA 3.27Å; T325-M365 PolarHBondContact O-N 3.36Å
326	V	98.6	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.8	171.1	-171	0	0	0	0	109.6	N313 I314 F324 A336 L340 M365 M389	N313-V326 VanDerWaalsContact CA-O 3.25Å; N313-V326 WeakPolarHBondContact CA-O 3.44Å; I314-V326 HydrophobicContact CG1-CB 4.24Å; I314-V326 PolarHBondContact N-O 2.95Å; I314-V326 PolarHBondContact O-N 3.15Å; F324-V326 HydrophobicContact CE1-CG2 4.32Å; V326-A336 HydrophobicContact CB-CB 4.22Å; V326-A336 HydrophobicContact CG1-CB 3.69Å; V326-L340 HydrophobicContact CG2-CB 3.7Å; V326-L340 HydrophobicContact CG2-CD1 4.04Å; V326-L340 HydrophobicContact CG2-CG 4.46Å; V326-M365 CarbonylContact C-O 3.42Å; V326-M365 VanDerWaalsContact CA-O 3.31Å; V326-M365 WeakPolarHBondContact CA-O 3.43Å; V326-M365 HydrophobicContact CG1-CB 4.36Å; V326-M365 HydrophobicContact CG2-CB 4.29Å; V326-M365 HydrophobicContact CG2-CE 4.47Å; V326-M389 HydrophobicContact CG1-CE 3.43Å; V326-M389 VanDerWaalsContact CG1-CE 3.43Å; V326-M389 HydrophobicContact CG1-SD 3.75Å
327	W	98.6	Very high	94.6	Very high	22 Å²	22	50.9 Å²	50.9	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137	-176.4	-58.7	84.5	0	0	0	110.5	H271 L273 S312 N313 T325 D364 M365 I366 A367	H271-W327 AromaticContact CD2-CZ3 3.66Å; H271-W327 AromaticContact CE1-CE3 3.91Å; H271-W327 AromaticContact CE1-CZ3 3.71Å; H271-W327 AromaticContact NE2-CE3 3.41Å; H271-W327 AromaticContact NE2-CZ3 3.33Å; H271-W327 VanDerWaalsContact NE2-CZ3 3.33Å; H271-W327 WeakPolarHBondContact NE2-CZ3 3.01Å; L273-W327 HydrophobicContact CD1-CD2 3.72Å; L273-W327 HydrophobicContact CD1-CE3 4.29Å; L273-W327 HydrophobicContact CD1-CG 3.79Å; L273-W327 HydrophobicContact CD1-CZ2 4.46Å; L273-W327 HydrophobicContact CD2-CD2 4.26Å; L273-W327 HydrophobicContact CD2-CH2 3.93Å; L273-W327 HydrophobicContact CD2-CZ2 3.47Å; L273-W327 VanDerWaalsContact CD2-CZ2 3.47Å; L273-W327 HydrophobicContact CD2-CZ3 4.47Å; S312-W327 WeakPolarHBondContact O-CA 3.45Å; N313-W327 HydrophobicContact CB-CD2 3.68Å; N313-W327 HydrophobicContact CB-CE3 3.62Å; N313-W327 HydrophobicContact CB-CG 4.26Å; N313-W327 HydrophobicContact CB-CH2 4.14Å; N313-W327 HydrophobicContact CB-CZ2 4.18Å; N313-W327 HydrophobicContact CB-CZ3 3.87Å; N313-W327 WeakPolarHBondContact ND2-CH2 3.47Å; N313-W327 WeakPolarHBondContact ND2-CZ3 3.48Å; T325-W327 HydrophobicContact CG2-CD2 4.3Å; T325-W327 HydrophobicContact CG2-CG 4.47Å; T325-W327 HydrophobicContact CG2-CZ2 3.87Å; T325-W327 VanDerWaalsContact CG2-NE1 3.3Å; W327-D364 PolarHBondContact NE1-OD1 2.96Å; W327-M365 PolarHBondContact N-O 2.94Å; W327-I366 HydrophobicContact CB-CB 3.95Å; W327-I366 HydrophobicContact CB-CD1 3.77Å; W327-I366 HydrophobicContact CB-CG1 3.72Å; W327-I366 HydrophobicContact CG-CD1 4.43Å; W327-I366 WeakPolarHBondContact O-CA 3.13Å; W327-A367 PolarHBondContact O-N 2.73Å
328	A	96.6	Very high	94.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.6	174.6	0	0	0	0	0	109.8	F311 S312 I333 A367 L390	F311-A328 WeakPolarHBondContact CA-O 3.31Å; F311-A328 VanDerWaalsContact CB-O 3.27Å; F311-A328 WeakPolarHBondContact CB-O 3.42Å; S312-A328 PolarHBondContact N-O 3.44Å; S312-A328 PolarHBondContact O-N 3.26Å; S312-A328 VanDerWaalsContact O-O 3.09Å; A328-I333 HydrophobicContact CB-CD1 3.96Å; A328-A367 HydrophobicContact CB-CB 4.18Å; A328-L390 HydrophobicContact CB-CD1 4.12Å; A328-L390 HydrophobicContact CB-CD2 4.05Å
329	R	93.9	Very high	94.7	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.019	23%	0.233	C	C	.	.			trans	-55.5	142.9	172.3	64	-174.6	-145.4	-147.9	11	111.6	Y225 F311 E331 K332 I333 E386 S840 E843	Y225-R329 HydrophobicContact CD2-CB 4Å; Y225-R329 HydrophobicContact CE2-CB 3.85Å; Y225-R329 HydrophobicContact CG-CB 4.48Å; F311-R329 HydrophobicContact CD1-CB 4.11Å; F311-R329 HydrophobicContact CE1-CB 3.95Å; R329-E331 VanDerWaalsContact C-N 3.25Å; R329-E331 WeakPolarHBondContact CB-OE2 3.3Å; R329-E331 WeakPolarHBondContact CD-OE1 3.45Å; R329-E331 HydrophobicContact CG-CG 4.32Å; R329-E331 WeakPolarHBondContact CG-OE2 3.47Å; R329-E331 IonicContact CZ-OE1 3.35Å; R329-E331 IonicContact NE-OE1 3.56Å; R329-E331 PolarHBondContact NE-OE1 3.17Å; R329-E331 IonicContact NE-OE2 2.74Å; R329-E331 IonicContact NH2-OE1 2.67Å; R329-E331 PolarHBondContact O-N 2.87Å; R329-E331 VanDerWaalsContact O-N 3.1Å; R329-K332 HydrophobicContact CG-CB 3.99Å; R329-K332 HydrophobicContact CG-CD 4.49Å; R329-K332 HydrophobicContact CG-CG 4.29Å; R329-K332 VanDerWaalsContact CZ-CD 3.48Å; R329-K332 PolarHBondContact O-N 3.07Å; R329-I333 PolarHBondContact O-N 3.1Å; R329-E386 WeakPolarHBondContact CD-OE1 3.25Å; R329-E386 IonicContact CZ-OE1 3.69Å; R329-E386 IonicContact CZ-OE2 3.33Å; R329-E386 IonicContact NE-OE1 2.86Å; R329-E386 IonicContact NH1-OE1 3.57Å; R329-E386 PolarHBondContact NH1-OE1 3.22Å; R329-E386 IonicContact NH1-OE2 3.56Å; R329-E386 PolarHBondContact NH1-OE2 3.23Å; R329-S840 PolarHBondContact NH2-O 2.95Å; R329-S840 PolarHBondContact NH2-OG 3.41Å; R329-E843 IonicContact NH1-OE2 3.83Å
330	P	92.5	Very high	95.1	Very high	39 Å²	39	42.6 Å²	42.6	25%	0.253	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-50.6	-39.6	-168.7	-28.9	35.7	0	0	0	115.1	K332 I333	P330-K332 PolarHBondContact O-N 2.77Å; P330-I333 VanDerWaalsContact O-CG2 3.25Å; P330-I333 WeakPolarHBondContact O-CG2 3.38Å
331	E	89.4	Confident	95.3	Very high	57 Å²	57	38.3 Å²	38.3	27%	0.266	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-72.5	-24.3	-178.1	70.9	-85.8	-150.4	0	0	114	R329 S840 V841	R329-E331 VanDerWaalsContact C-N 3.25Å; R329-E331 WeakPolarHBondContact CB-OE2 3.3Å; R329-E331 WeakPolarHBondContact CD-OE1 3.45Å; R329-E331 HydrophobicContact CG-CG 4.32Å; R329-E331 WeakPolarHBondContact CG-OE2 3.47Å; R329-E331 IonicContact CZ-OE1 3.35Å; R329-E331 IonicContact NE-OE1 3.56Å; R329-E331 PolarHBondContact NE-OE1 3.17Å; R329-E331 IonicContact NE-OE2 2.74Å; R329-E331 IonicContact NH2-OE1 2.67Å; R329-E331 PolarHBondContact O-N 2.87Å; R329-E331 VanDerWaalsContact O-N 3.1Å; E331-S840 PolarHBondContact OE1-OG 3.04Å; E331-V841 HydrophobicContact CG-CG2 4.48Å
332	K	90	Very high	95.5	Very high	31 Å²	31	35.8 Å²	35.8	14%	0.135	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-103.4	-0.6	179.7	-75.2	-171.4	172.1	166.4	0	113.4	R329 P330 R334 S335 E386 L390 S840 E843	R329-K332 HydrophobicContact CG-CB 3.99Å; R329-K332 HydrophobicContact CG-CD 4.49Å; R329-K332 HydrophobicContact CG-CG 4.29Å; R329-K332 VanDerWaalsContact CZ-CD 3.48Å; R329-K332 PolarHBondContact O-N 3.07Å; P330-K332 PolarHBondContact O-N 2.77Å; K332-R334 PolarHBondContact O-N 3.5Å; K332-R334 VanDerWaalsContact O-N 3.08Å; K332-S335 VanDerWaalsContact O-CB 3.27Å; K332-S335 WeakPolarHBondContact O-CB 3.42Å; K332-S335 PolarHBondContact O-N 3.14Å; K332-E386 IonicContact NZ-OE2 2.69Å; K332-E386 PolarHBondContact NZ-OE2 3.38Å; K332-L390 HydrophobicContact CB-CD1 3.88Å; K332-L390 HydrophobicContact CD-CD1 4Å; K332-S840 WeakPolarHBondContact CE-O 3.46Å; K332-E843 IonicContact NZ-OE2 3.51Å; K332-E843 PolarHBondContact NZ-OE2 2.8Å; K332-E843 VanDerWaalsContact NZ-OE2 3.07Å
333	I	93.7	Very high	95.6	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.128	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.2	-173.4	-166.4	56.2	0	0	0	114.3	S312 I314 A328 R329 P330 S335 A336	S312-I333 WeakPolarHBondContact O-CD1 3.41Å; I314-I333 HydrophobicContact CG1-CD1 4.35Å; I314-I333 HydrophobicContact CG2-CG1 4.08Å; A328-I333 HydrophobicContact CB-CD1 3.96Å; R329-I333 PolarHBondContact O-N 3.1Å; P330-I333 VanDerWaalsContact O-CG2 3.25Å; P330-I333 WeakPolarHBondContact O-CG2 3.38Å; I333-S335 PolarHBondContact O-N 2.75Å; I333-A336 HydrophobicContact CD1-CB 4.15Å; I333-A336 VanDerWaalsContact O-CB 3.28Å; I333-A336 WeakPolarHBondContact O-CB 3.34Å; I333-A336 PolarHBondContact O-N 3.16Å; I333-A336 VanDerWaalsContact O-N 3.13Å
334	R	92.1	Very high	95.7	Very high	227 Å²	227	31.7 Å²	31.7	86%	0.857	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-63.7	-31.5	175.7	-66.9	-176.4	-179.5	176	1.5	112.5	K332 A336 K337	K332-R334 PolarHBondContact O-N 3.5Å; K332-R334 VanDerWaalsContact O-N 3.08Å; R334-A336 PolarHBondContact O-N 3.13Å; R334-K337 PolarHBondContact O-N 2.87Å
335	S	92.6	Very high	95.7	Very high	18 Å²	18	37.1 Å²	37.1	13%	0.126	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-72.9	-8.4	177.8	-51.8	0	0	0	0	113.2	K332 I333 W391	K332-S335 VanDerWaalsContact O-CB 3.27Å; K332-S335 WeakPolarHBondContact O-CB 3.42Å; K332-S335 PolarHBondContact O-N 3.14Å; I333-S335 PolarHBondContact O-N 2.75Å; S335-W391 WeakPolarHBondContact CA-O 3.33Å; S335-W391 PolarHBondContact O-N 2.93Å
336	A	95.5	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-82.7	-10.2	177.9	0	0	0	0	0	113.7	I314 V326 I333 R334 Y338 A339 L340 L390	I314-A336 HydrophobicContact CD1-CB 3.83Å; I314-A336 HydrophobicContact CG1-CB 4.23Å; V326-A336 HydrophobicContact CB-CB 4.22Å; V326-A336 HydrophobicContact CG1-CB 3.69Å; I333-A336 HydrophobicContact CD1-CB 4.15Å; I333-A336 VanDerWaalsContact O-CB 3.28Å; I333-A336 WeakPolarHBondContact O-CB 3.34Å; I333-A336 PolarHBondContact O-N 3.16Å; I333-A336 VanDerWaalsContact O-N 3.13Å; R334-A336 PolarHBondContact O-N 3.13Å; A336-Y338 VanDerWaalsContact C-N 3.34Å; A336-Y338 PolarHBondContact O-N 2.95Å; A336-A339 PolarHBondContact O-N 3.37Å; A336-L340 PolarHBondContact O-N 2.92Å; A336-L390 HydrophobicContact CB-CD2 3.77Å
337	K	96	Very high	95.6	Very high	131 Å²	131	36.9 Å²	36.9	57%	0.57	16%	0.164	S	C	*	.	H	α-helix	trans	-59.5	-42.8	-172.2	-174.5	179.3	177.9	-176.3	0	112.8	I314 R334 L340 D341	I314-K337 HydrophobicContact CD1-CB 4.3Å; R334-K337 PolarHBondContact O-N 2.87Å; K337-L340 PolarHBondContact O-N 2.9Å; K337-D341 PolarHBondContact O-N 3.14Å
338	Y	95.4	Very high	95.6	Very high	37 Å²	37	39.3 Å²	39.3	15%	0.145	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-44.5	179.8	-177.4	-113.7	0	0	0	111.6	A336 L340 D341 V342 W391 P401 V404 A405 H448 W451	A336-Y338 VanDerWaalsContact C-N 3.34Å; A336-Y338 PolarHBondContact O-N 2.95Å; Y338-L340 VanDerWaalsContact C-N 3.32Å; Y338-L340 PolarHBondContact O-N 3.42Å; Y338-D341 PolarHBondContact O-N 3.3Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; Y338-V342 HydrophobicContact CD1-CG1 4.47Å; Y338-V342 HydrophobicContact CD2-CG1 4.06Å; Y338-V342 HydrophobicContact CE1-CG1 3.93Å; Y338-V342 HydrophobicContact CE2-CG1 3.47Å; Y338-V342 VanDerWaalsContact CE2-CG1 3.47Å; Y338-V342 WeakPolarHBondContact O-CG2 3.48Å; Y338-V342 PolarHBondContact O-N 3.44Å; Y338-W391 HydrophobicContact CD1-CE3 4.21Å; Y338-W391 HydrophobicContact CD2-CZ3 4.47Å; Y338-W391 AromaticContact CG-CE3 3.97Å; Y338-W391 HydrophobicContact CG-CE3 3.97Å; Y338-W391 HydrophobicContact CG-CZ3 4.33Å; Y338-P401 HydrophobicContact CD1-CB 4.43Å; Y338-P401 HydrophobicContact CE1-CB 3.76Å; Y338-P401 WeakPolarHBondContact CE1-O 3.22Å; Y338-V404 HydrophobicContact CD1-CB 4.13Å; Y338-V404 HydrophobicContact CD1-CG1 3.79Å; Y338-V404 HydrophobicContact CE1-CB 4.22Å; Y338-V404 HydrophobicContact CE1-CG1 4.15Å; Y338-A405 HydrophobicContact CE1-CB 4.37Å; Y338-H448 PolarHBondContact OH-NE2 2.97Å; Y338-H448 VanDerWaalsContact OH-NE2 3.12Å; Y338-W451 VanDerWaalsContact OH-CH2 3.27Å; Y338-W451 WeakPolarHBondContact OH-CH2 3.42Å
339	A	97.6	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-41.7	174.6	0	0	0	0	0	112.7	A336 G343 M365 M389 V404 V408	A336-A339 PolarHBondContact O-N 3.37Å; A339-G343 WeakPolarHBondContact O-CA 3.25Å; A339-G343 PolarHBondContact O-N 3.18Å; A339-M365 HydrophobicContact CB-CE 3.87Å; A339-M389 HydrophobicContact CB-CG 3.58Å; A339-M389 WeakPolarHBondContact CB-O 3.33Å; A339-M389 HydrophobicContact CB-SD 4.5Å; A339-V404 HydrophobicContact CB-CG1 4.2Å; A339-V408 HydrophobicContact CB-CG2 4.5Å
340	L	98.3	Very high	95.8	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-44.3	173.9	177.6	63.4	0	0	0	111.7	I314 R316 F324 V326 A336 K337 Y338 I344	I314-L340 HydrophobicContact CB-CD2 4.23Å; I314-L340 HydrophobicContact CD1-CB 4.06Å; I314-L340 HydrophobicContact CD1-CD2 3.85Å; I314-L340 HydrophobicContact CG1-CD2 3.99Å; R316-L340 HydrophobicContact CB-CD1 4.49Å; R316-L340 HydrophobicContact CB-CD2 4.41Å; F324-L340 HydrophobicContact CB-CD1 4.39Å; F324-L340 HydrophobicContact CD1-CD1 3.65Å; F324-L340 HydrophobicContact CE1-CD1 4.42Å; F324-L340 HydrophobicContact CG-CD1 4.39Å; F324-L340 WeakPolarHBondContact O-CD1 3.1Å; V326-L340 HydrophobicContact CG2-CB 3.7Å; V326-L340 HydrophobicContact CG2-CD1 4.04Å; V326-L340 HydrophobicContact CG2-CG 4.46Å; A336-L340 PolarHBondContact O-N 2.92Å; K337-L340 PolarHBondContact O-N 2.9Å; Y338-L340 VanDerWaalsContact C-N 3.32Å; Y338-L340 PolarHBondContact O-N 3.42Å; L340-I344 HydrophobicContact CD1-CD1 3.96Å; L340-I344 HydrophobicContact CG-CD1 4.38Å; L340-I344 WeakPolarHBondContact O-CG1 3.25Å; L340-I344 PolarHBondContact O-N 3.03Å
341	D	97.2	Very high	96.1	Very high	40 Å²	40	39.5 Å²	39.5	21%	0.214	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-43.3	-177.1	-74.6	-29.2	0	0	0	112.6	R316 K337 Y338 K345	R316-D341 IonicContact CZ-OD1 3.13Å; R316-D341 IonicContact NH1-OD1 3.94Å; R316-D341 PolarHBondContact NH1-OD1 2.86Å; R316-D341 IonicContact NH2-OD1 3.93Å; R316-D341 PolarHBondContact NH2-OD1 2.88Å; K337-D341 PolarHBondContact O-N 3.14Å; Y338-D341 PolarHBondContact O-N 3.3Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; D341-K345 WeakPolarHBondContact O-CG 3.07Å
342	V	97.5	Very high	96.5	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-75	-38.1	176.9	-59.4	0	0	0	0	111.7	Y338 I344 K345 L346 V408 L447	Y338-V342 HydrophobicContact CD1-CG1 4.47Å; Y338-V342 HydrophobicContact CD2-CG1 4.06Å; Y338-V342 HydrophobicContact CE1-CG1 3.93Å; Y338-V342 HydrophobicContact CE2-CG1 3.47Å; Y338-V342 VanDerWaalsContact CE2-CG1 3.47Å; Y338-V342 WeakPolarHBondContact O-CG2 3.48Å; Y338-V342 PolarHBondContact O-N 3.44Å; V342-I344 VanDerWaalsContact C-N 3.33Å; V342-I344 PolarHBondContact O-N 3.22Å; V342-K345 PolarHBondContact O-N 3.2Å; V342-K345 VanDerWaalsContact O-N 3.16Å; V342-L346 HydrophobicContact CB-CD1 4.17Å; V342-L346 HydrophobicContact CG2-CD1 4.29Å; V342-L346 WeakPolarHBondContact O-CB 3.47Å; V342-L346 VanDerWaalsContact O-CG 3.25Å; V342-L346 WeakPolarHBondContact O-CG 3.37Å; V342-L346 PolarHBondContact O-N 3.17Å; V342-V408 HydrophobicContact CG2-CB 4.38Å; V342-V408 HydrophobicContact CG2-CG1 4.23Å; V342-L447 HydrophobicContact CB-CD1 4.27Å
343	G	98.3	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-41.5	-177.6	0	0	0	0	0	113.1	A339 L347 L412	A339-G343 WeakPolarHBondContact O-CA 3.25Å; A339-G343 PolarHBondContact O-N 3.18Å; G343-L347 WeakPolarHBondContact O-CB 3.23Å; G343-L347 PolarHBondContact O-N 3.12Å; G343-L412 VanDerWaalsContact O-CD1 3.3Å; G343-L412 WeakPolarHBondContact O-CD1 3.37Å
344	I	98.3	Very high	97	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.077	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-46.7	176	-69.6	169.5	0	0	0	111.4	R316 D318 F324 L340 V342 L347 E348	R316-I344 HydrophobicContact CB-CD1 3.77Å; R316-I344 HydrophobicContact CG-CD1 4.16Å; D318-I344 HydrophobicContact CB-CG2 4.03Å; F324-I344 HydrophobicContact CB-CD1 4.06Å; F324-I344 HydrophobicContact CB-CG1 3.73Å; F324-I344 HydrophobicContact CD1-CG1 4.1Å; F324-I344 HydrophobicContact CD2-CG1 3.75Å; F324-I344 HydrophobicContact CE2-CG1 4.38Å; F324-I344 HydrophobicContact CG-CD1 4.34Å; F324-I344 HydrophobicContact CG-CG1 3.59Å; L340-I344 HydrophobicContact CD1-CD1 3.96Å; L340-I344 HydrophobicContact CG-CD1 4.38Å; L340-I344 WeakPolarHBondContact O-CG1 3.25Å; L340-I344 PolarHBondContact O-N 3.03Å; V342-I344 VanDerWaalsContact C-N 3.33Å; V342-I344 PolarHBondContact O-N 3.22Å; I344-L347 PolarHBondContact O-N 3.3Å; I344-E348 PolarHBondContact O-N 2.99Å; I344-E348 VanDerWaalsContact O-N 3.15Å
345	K	98.3	Very high	97.2	Very high	115 Å²	115	31.3 Å²	31.3	50%	0.5	16%	0.161	S	C	.	.	H	α-helix	trans	-68.8	-39	-177.8	-66.3	175	-179.1	179.2	0	112.2	D341 V342 E348 H349 L447	D341-K345 WeakPolarHBondContact O-CG 3.07Å; V342-K345 PolarHBondContact O-N 3.2Å; V342-K345 VanDerWaalsContact O-N 3.16Å; K345-E348 PolarHBondContact O-N 2.92Å; K345-H349 WeakPolarHBondContact O-CB 3.41Å; K345-H349 PolarHBondContact O-N 2.84Å; K345-L447 HydrophobicContact CB-CD1 3.67Å; K345-L447 HydrophobicContact CB-CD2 3.71Å; K345-L447 HydrophobicContact CB-CG 4.38Å; K345-L447 HydrophobicContact CD-CD1 4.23Å; K345-L447 HydrophobicContact CD-CD2 4.29Å
346	L	98.4	Very high	97.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-42.1	176.9	-73.1	168	0	0	0	111.3	V342 E348 H349 F350 V408 L412 G443 L447	V342-L346 HydrophobicContact CB-CD1 4.17Å; V342-L346 HydrophobicContact CG2-CD1 4.29Å; V342-L346 WeakPolarHBondContact O-CB 3.47Å; V342-L346 VanDerWaalsContact O-CG 3.25Å; V342-L346 WeakPolarHBondContact O-CG 3.37Å; V342-L346 PolarHBondContact O-N 3.17Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 2.78Å; L346-H349 PolarHBondContact O-N 3.2Å; L346-F350 VanDerWaalsContact O-CD2 3.23Å; L346-F350 WeakPolarHBondContact O-CD2 3.42Å; L346-F350 PolarHBondContact O-N 3.49Å; L346-V408 HydrophobicContact CD1-CB 4.3Å; L346-V408 HydrophobicContact CD1-CG1 3.91Å; L346-L412 HydrophobicContact CB-CD1 3.66Å; L346-L412 HydrophobicContact CD1-CD1 4.4Å; L346-G443 VanDerWaalsContact CD2-C 3.41Å; L346-G443 WeakPolarHBondContact CD2-O 3.38Å; L346-L447 HydrophobicContact CD2-CD1 3.83Å; L346-L447 HydrophobicContact CD2-CG 4.1Å; L346-L447 HydrophobicContact CG-CD1 3.71Å
347	L	98.2	Very high	97.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-45.9	176.3	-174.7	65.4	0	0	0	111.1	F324 G343 I344 F350 E351 Y358 L412 W416	F324-L347 HydrophobicContact CD2-CD2 4.18Å; F324-L347 HydrophobicContact CE2-CB 4.4Å; F324-L347 HydrophobicContact CE2-CD2 4.09Å; G343-L347 WeakPolarHBondContact O-CB 3.23Å; G343-L347 PolarHBondContact O-N 3.12Å; I344-L347 PolarHBondContact O-N 3.3Å; L347-F350 PolarHBondContact O-N 3.46Å; L347-E351 WeakPolarHBondContact O-CG 2.87Å; L347-E351 PolarHBondContact O-N 2.9Å; L347-E351 VanDerWaalsContact O-N 3.08Å; L347-Y358 HydrophobicContact CD1-CD1 4.39Å; L347-Y358 HydrophobicContact CD1-CD2 3.97Å; L347-Y358 HydrophobicContact CD1-CG 3.82Å; L347-Y358 HydrophobicContact CD2-CD1 4.16Å; L347-Y358 HydrophobicContact CD2-CG 4.37Å; L347-L412 HydrophobicContact CD1-CD2 4.28Å; L347-W416 HydrophobicContact CD1-CH2 4.01Å; L347-W416 HydrophobicContact CD1-CZ3 4.37Å
348	E	97.2	Very high	97.6	Very high	72 Å²	72	28.5 Å²	28.5	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-46.4	174.6	-179.7	171.8	-146.1	0	0	111.7	N319 I344 K345 L346 F350 E351 D352	N319-E348 PolarHBondContact ND2-OE1 3.47Å; N319-E348 PolarHBondContact ND2-OE2 3.24Å; I344-E348 PolarHBondContact O-N 2.99Å; I344-E348 VanDerWaalsContact O-N 3.15Å; K345-E348 PolarHBondContact O-N 2.92Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 2.78Å; E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 3.06Å; E348-E351 PolarHBondContact O-N 2.99Å; E348-D352 PolarHBondContact O-N 2.94Å
349	H	98	Very high	97.5	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.208	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-46.4	177	176.2	69.5	0	0	0	112.4	K345 L346 D352 Y353 S446	K345-H349 WeakPolarHBondContact O-CB 3.41Å; K345-H349 PolarHBondContact O-N 2.84Å; L346-H349 PolarHBondContact O-N 3.2Å; H349-D352 PolarHBondContact O-N 3.23Å; H349-Y353 VanDerWaalsContact O-CB 3.29Å; H349-Y353 WeakPolarHBondContact O-CB 3.48Å; H349-Y353 PolarHBondContact O-N 2.96Å; H349-S446 WeakPolarHBondContact CE1-CB 3.49Å; H349-S446 VanDerWaalsContact ND1-CB 3.33Å; H349-S446 WeakPolarHBondContact ND1-CB 3.45Å; H349-S446 PolarHBondContact ND1-OG 2.71Å
350	F	98.4	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-34	-179.5	-72.3	-48.5	0	0	0	113.1	L346 L347 E348 D352 Y353 F354 S409 L412 W416 M439	L346-F350 VanDerWaalsContact O-CD2 3.23Å; L346-F350 WeakPolarHBondContact O-CD2 3.42Å; L346-F350 PolarHBondContact O-N 3.49Å; L347-F350 PolarHBondContact O-N 3.46Å; E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 3.06Å; F350-D352 VanDerWaalsContact C-N 3.28Å; F350-D352 PolarHBondContact O-N 3.12Å; F350-Y353 PolarHBondContact O-N 2.83Å; F350-F354 HydrophobicContact CB-CD2 3.98Å; F350-F354 HydrophobicContact CB-CE2 3.82Å; F350-F354 HydrophobicContact CD1-CD2 4.42Å; F350-F354 AromaticContact CD1-CE2 3.56Å; F350-F354 HydrophobicContact CD1-CE2 3.56Å; F350-F354 HydrophobicContact CD1-CZ 4.06Å; F350-F354 HydrophobicContact CE1-CE2 4.41Å; F350-F354 AromaticContact CG-CE2 3.94Å; F350-F354 HydrophobicContact CG-CE2 3.94Å; F350-F354 WeakPolarHBondContact O-CB 3.48Å; F350-F354 WeakPolarHBondContact O-CD2 3.5Å; F350-F354 PolarHBondContact O-N 2.74Å; F350-S409 VanDerWaalsContact CE2-O 3.3Å; F350-S409 WeakPolarHBondContact CE2-O 3.22Å; F350-S409 VanDerWaalsContact CZ-OG 3.31Å; F350-S409 WeakPolarHBondContact CZ-OG 3.49Å; F350-L412 HydrophobicContact CD2-CB 4.12Å; F350-L412 HydrophobicContact CE2-CB 4.1Å; F350-W416 HydrophobicContact CB-CE3 3.93Å; F350-W416 HydrophobicContact CB-CH2 3.39Å; F350-W416 HydrophobicContact CB-CZ2 4.17Å; F350-W416 HydrophobicContact CB-CZ3 3.25Å; F350-W416 HydrophobicContact CD2-CZ3 4.23Å; F350-W416 HydrophobicContact CG-CZ3 4.05Å; F350-M439 HydrophobicContact CE1-CB 4.07Å; F350-M439 HydrophobicContact CZ-CB 4.28Å; F350-M439 WeakPolarHBondContact CZ-O 3.42Å
351	E	97.5	Very high	97.3	Very high	3 Å²	3	35 Å²	35	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-43.9	171.2	-73.6	-174.2	108.1	0	0	111.6	R320 R322 L347 E348 G355 I356 P357 Y358 W416	R320-E351 IonicContact CZ-OE1 2.8Å; R320-E351 IonicContact CZ-OE2 2.69Å; R320-E351 IonicContact NE-OE1 3.46Å; R320-E351 IonicContact NE-OE2 3.85Å; R320-E351 PolarHBondContact NE-OE2 2.87Å; R320-E351 IonicContact NH1-OE1 2.71Å; R320-E351 PolarHBondContact NH1-OE1 3.28Å; R322-E351 IonicContact CZ-OE1 3.89Å; R322-E351 IonicContact CZ-OE2 3.97Å; R322-E351 VanDerWaalsContact NH1-CD 3.34Å; R322-E351 IonicContact NH1-OE1 3.93Å; R322-E351 PolarHBondContact NH1-OE1 3.43Å; R322-E351 IonicContact NH1-OE2 2.86Å; R322-E351 PolarHBondContact NH1-OE2 2.9Å; R322-E351 IonicContact NH2-OE1 2.68Å; R322-E351 IonicContact NH2-OE2 3.82Å; R322-E351 PolarHBondContact NH2-OE2 2.95Å; L347-E351 WeakPolarHBondContact O-CG 2.87Å; L347-E351 PolarHBondContact O-N 2.9Å; L347-E351 VanDerWaalsContact O-N 3.08Å; E348-E351 PolarHBondContact O-N 2.99Å; E351-G355 VanDerWaalsContact O-CA 3.24Å; E351-G355 WeakPolarHBondContact O-CA 3.13Å; E351-G355 PolarHBondContact O-N 3.36Å; E351-I356 PolarHBondContact O-N 2.94Å; E351-P357 VanDerWaalsContact OE1-CA 3.24Å; E351-P357 WeakPolarHBondContact OE1-CA 3.43Å; E351-Y358 PolarHBondContact OE1-N 3.24Å; E351-W416 HydrophobicContact CB-CZ2 4.39Å; E351-W416 HydrophobicContact CG-CH2 4.05Å; E351-W416 HydrophobicContact CG-CZ2 3.8Å
352	D	97.1	Very high	97.3	Very high	100 Å²	100	33.7 Å²	33.7	54%	0.535	18%	0.181	S	C	.	.	H	α-helix	trans	-73	-41.6	178.7	-68.5	-15.7	0	0	0	111.8	E348 H349 F350 F354 G355	E348-D352 PolarHBondContact O-N 2.94Å; H349-D352 PolarHBondContact O-N 3.23Å; F350-D352 VanDerWaalsContact C-N 3.28Å; F350-D352 PolarHBondContact O-N 3.12Å; D352-F354 PolarHBondContact O-N 2.9Å; D352-G355 PolarHBondContact O-N 3.41Å
353	Y	98	Very high	97.3	Very high	19 Å²	19	33.5 Å²	33.5	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-43.4	180	-171.1	-84.4	0	0	0	111.6	H349 F350 M439 I442 Q516 K520	H349-Y353 VanDerWaalsContact O-CB 3.29Å; H349-Y353 WeakPolarHBondContact O-CB 3.48Å; H349-Y353 PolarHBondContact O-N 2.96Å; F350-Y353 PolarHBondContact O-N 2.83Å; Y353-M439 HydrophobicContact CE1-CE 3.95Å; Y353-M439 HydrophobicContact CE1-SD 4.01Å; Y353-I442 HydrophobicContact CD2-CG2 3.98Å; Y353-I442 HydrophobicContact CE2-CG2 3.65Å; Y353-Q516 HydrophobicContact CD1-CG 4.33Å; Y353-Q516 HydrophobicContact CE1-CG 3.91Å; Y353-Q516 HydrophobicContact CE2-CG 4.31Å; Y353-Q516 PolarHBondContact O-NE2 3.43Å; Y353-K520 WeakPolarHBondContact O-CE 3.29Å
354	F	97.7	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-89.8	-13.6	178.1	-58.5	-57.2	0	0	0	113.4	F350 D352 I356 W416 F417 M439 K520 L523	F350-F354 HydrophobicContact CB-CD2 3.98Å; F350-F354 HydrophobicContact CB-CE2 3.82Å; F350-F354 HydrophobicContact CD1-CD2 4.42Å; F350-F354 AromaticContact CD1-CE2 3.56Å; F350-F354 HydrophobicContact CD1-CE2 3.56Å; F350-F354 HydrophobicContact CD1-CZ 4.06Å; F350-F354 HydrophobicContact CE1-CE2 4.41Å; F350-F354 AromaticContact CG-CE2 3.94Å; F350-F354 HydrophobicContact CG-CE2 3.94Å; F350-F354 WeakPolarHBondContact O-CB 3.48Å; F350-F354 WeakPolarHBondContact O-CD2 3.5Å; F350-F354 PolarHBondContact O-N 2.74Å; D352-F354 PolarHBondContact O-N 2.9Å; F354-I356 PolarHBondContact O-N 3.17Å; F354-W416 HydrophobicContact CB-CG 4.37Å; F354-W416 HydrophobicContact CD2-CB 4.07Å; F354-W416 AromaticContact CD2-CD1 3.81Å; F354-W416 AromaticContact CD2-CD2 3.38Å; F354-W416 HydrophobicContact CD2-CD2 3.38Å; F354-W416 AromaticContact CD2-CE2 3.69Å; F354-W416 AromaticContact CD2-CE3 3.81Å; F354-W416 HydrophobicContact CD2-CE3 3.81Å; F354-W416 AromaticContact CD2-CG 3.49Å; F354-W416 HydrophobicContact CD2-CG 3.49Å; F354-W416 VanDerWaalsContact CD2-CG 3.49Å; F354-W416 HydrophobicContact CD2-CZ2 4.35Å; F354-W416 HydrophobicContact CD2-CZ3 4.45Å; F354-W416 AromaticContact CD2-NE1 3.91Å; F354-W416 HydrophobicContact CE2-CB 4.21Å; F354-W416 AromaticContact CE2-CD2 3.85Å; F354-W416 HydrophobicContact CE2-CD2 3.85Å; F354-W416 AromaticContact CE2-CE3 3.85Å; F354-W416 HydrophobicContact CE2-CE3 3.85Å; F354-W416 HydrophobicContact CE2-CG 4.01Å; F354-W416 HydrophobicContact CG-CD2 4.31Å; F354-W416 HydrophobicContact CG-CG 4.03Å; F354-F417 HydrophobicContact CD1-CE2 4.47Å; F354-F417 AromaticContact CE1-CE2 3.54Å; F354-F417 HydrophobicContact CE1-CE2 3.54Å; F354-F417 AromaticContact CE1-CZ 3.95Å; F354-F417 HydrophobicContact CE1-CZ 3.95Å; F354-F417 HydrophobicContact CE2-CE2 4.41Å; F354-F417 HydrophobicContact CZ-CD2 4.32Å; F354-F417 AromaticContact CZ-CE2 3.52Å; F354-F417 HydrophobicContact CZ-CE2 3.52Å; F354-F417 HydrophobicContact CZ-CZ 4.39Å; F354-M439 HydrophobicContact CE1-CE 3.91Å; F354-M439 HydrophobicContact CE1-SD 4.11Å; F354-M439 HydrophobicContact CZ-CE 4.16Å; F354-M439 HydrophobicContact CZ-CG 4.09Å; F354-M439 HydrophobicContact CZ-SD 3.8Å; F354-K520 VanDerWaalsContact O-CG 3.29Å; F354-K520 WeakPolarHBondContact O-CG 3.45Å; F354-L523 HydrophobicContact CB-CD1 4Å; F354-L523 HydrophobicContact CD1-CD1 3.51Å; F354-L523 HydrophobicContact CE1-CD1 4.2Å; F354-L523 HydrophobicContact CG-CD1 3.81Å
355	G	96.7	Very high	97.4	Very high	49 Å²	49	33.5 Å²	33.5	51%	0.505	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	24.8	-175.3	0	0	0	0	0	113.1	E351 D352	E351-G355 VanDerWaalsContact O-CA 3.24Å; E351-G355 WeakPolarHBondContact O-CA 3.13Å; E351-G355 PolarHBondContact O-N 3.36Å; D352-G355 PolarHBondContact O-N 3.41Å
356	I	97.1	Very high	97.4	Very high	6 Å²	6	28 Å²	28	3%	0.031	16%	0.157	C	C	.	.			trans	-129.2	120.9	-179.4	-62.9	168.2	0	0	0	107	E351 F354 W416 I420 L523 I524	E351-I356 PolarHBondContact O-N 2.94Å; F354-I356 PolarHBondContact O-N 3.17Å; I356-W416 WeakPolarHBondContact O-CZ2 3.48Å; I356-W416 PolarHBondContact O-NE1 3.33Å; I356-W416 VanDerWaalsContact O-NE1 3.13Å; I356-I420 HydrophobicContact CG2-CD1 4.33Å; I356-L523 HydrophobicContact CD1-CB 3.38Å; I356-L523 HydrophobicContact CD1-CD1 4.28Å; I356-L523 HydrophobicContact CD1-CG 4.47Å; I356-I524 HydrophobicContact CD1-CG1 3.89Å; I356-I524 HydrophobicContact CG1-CG1 3.99Å
357	P	96.3	Very high	97.3	Very high	75 Å²	75	28 Å²	28	49%	0.487	16%	0.156	S	C	.	.			trans	-64.4	146.6	178.2	28.7	-35.3	0	0	0	111.3	E351 S359	E351-P357 VanDerWaalsContact OE1-CA 3.24Å; E351-P357 WeakPolarHBondContact OE1-CA 3.43Å; P357-S359 PolarHBondContact O-N 2.87Å
358	Y	97.3	Very high	97.2	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.039	16%	0.156	C	C	.	.			trans	-61.8	132.5	171.9	170.6	-108.9	0	0	0	110	L347 E351 L360 K362 M363 W379 G380 Q415	L347-Y358 HydrophobicContact CD1-CD1 4.39Å; L347-Y358 HydrophobicContact CD1-CD2 3.97Å; L347-Y358 HydrophobicContact CD1-CG 3.82Å; L347-Y358 HydrophobicContact CD2-CD1 4.16Å; L347-Y358 HydrophobicContact CD2-CG 4.37Å; E351-Y358 PolarHBondContact OE1-N 3.24Å; Y358-L360 HydrophobicContact CD1-CB 4.5Å; Y358-L360 WeakPolarHBondContact CD1-O 3.48Å; Y358-L360 HydrophobicContact CE1-CB 3.65Å; Y358-L360 HydrophobicContact CE1-CG 4.28Å; Y358-L360 WeakPolarHBondContact CE1-O 3.42Å; Y358-L360 HydrophobicContact CE2-CG 4.46Å; Y358-L360 PolarHBondContact O-N 3.4Å; Y358-L360 WeakPolarHBondContact OH-CD1 3.43Å; Y358-K362 WeakPolarHBondContact CE1-O 3.23Å; Y358-K362 PolarHBondContact OH-O 2.83Å; Y358-M363 HydrophobicContact CE1-CE 4.18Å; Y358-M363 HydrophobicContact CE2-CE 3.63Å; Y358-M363 VanDerWaalsContact CZ-CE 3.41Å; Y358-M363 WeakPolarHBondContact OH-CE 3.12Å; Y358-W379 AromaticContact CE2-NE1 3.98Å; Y358-G380 VanDerWaalsContact OH-CA 3.31Å; Y358-G380 WeakPolarHBondContact OH-CA 3.41Å; Y358-Q415 HydrophobicContact CD2-CB 3.92Å; Y358-Q415 HydrophobicContact CD2-CG 4.08Å; Y358-Q415 HydrophobicContact CE2-CB 3.95Å; Y358-Q415 HydrophobicContact CE2-CG 3.76Å
359	S	94.5	Very high	96.8	Very high	33 Å²	33	24.6 Å²	24.6	23%	0.231	14%	0.141	C	C	.	.	S	Bend	trans	-76.8	-16.6	-161.2	-51.3	0	0	0	0	115.3	P357 I420 Y528	P357-S359 PolarHBondContact O-N 2.87Å; S359-I420 VanDerWaalsContact OG-CD1 3.31Å; S359-I420 WeakPolarHBondContact OG-CD1 3.47Å; S359-Y528 PolarHBondContact OG-OH 3.16Å
360	L	96.5	Very high	95.9	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-110.6	160.5	-172.9	-46.4	-172.2	0	0	0	112.1	M276 V297 R322 Y358 K362 W379	M276-L360 HydrophobicContact CE-CD2 4.14Å; M276-L360 HydrophobicContact SD-CD1 4.02Å; M276-L360 HydrophobicContact SD-CD2 3.84Å; M276-L360 HydrophobicContact SD-CG 4.48Å; V297-L360 HydrophobicContact CB-CD2 4.48Å; V297-L360 HydrophobicContact CG1-CD2 3.73Å; V297-L360 HydrophobicContact CG2-CD2 3.93Å; R322-L360 WeakPolarHBondContact CD-O 3.47Å; Y358-L360 HydrophobicContact CD1-CB 4.5Å; Y358-L360 WeakPolarHBondContact CD1-O 3.48Å; Y358-L360 HydrophobicContact CE1-CB 3.65Å; Y358-L360 HydrophobicContact CE1-CG 4.28Å; Y358-L360 WeakPolarHBondContact CE1-O 3.42Å; Y358-L360 HydrophobicContact CE2-CG 4.46Å; Y358-L360 PolarHBondContact O-N 3.4Å; Y358-L360 WeakPolarHBondContact OH-CD1 3.43Å; L360-K362 VanDerWaalsContact C-N 3.3Å; L360-K362 PolarHBondContact O-N 3.27Å; L360-W379 VanDerWaalsContact CD1-CD1 3.49Å; L360-W379 HydrophobicContact CD1-CG 4.13Å
361	H	94.1	Very high	95	Very high	141 Å²	141	28.1 Å²	28.1	65%	0.653	16%	0.162	S	C	*	.	S	Bend	trans	-82.5	-5	179.7	-62.2	-65.9	0	0	0	114.3	R322 N323	R322-H361 WeakPolarHBondContact CA-O 3.4Å; R322-H361 WeakPolarHBondContact CB-O 3.42Å; N323-H361 PolarHBondContact N-O 3.26Å
362	K	97.6	Very high	93.9	Very high	11 Å²	11	32 Å²	32	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.4	179.7	65.7	85.6	170.3	178.4	0	111.2	S274 N275 M276 N277 N323 Y358 L360 D364 G380	S274-K362 PolarHBondContact O-NZ 2.67Å; N275-K362 WeakPolarHBondContact O-CE 3.35Å; N275-K362 PolarHBondContact O-NZ 3.03Å; M276-K362 WeakPolarHBondContact O-CE 3.46Å; N277-K362 HydrophobicContact CB-CG 3.97Å; N323-K362 HydrophobicContact CB-CB 4.31Å; N323-K362 CarbonylContact O-C 3.58Å; N323-K362 WeakPolarHBondContact O-CA 3.4Å; N323-K362 WeakPolarHBondContact O-CB 3.43Å; Y358-K362 WeakPolarHBondContact CE1-O 3.23Å; Y358-K362 PolarHBondContact OH-O 2.83Å; L360-K362 VanDerWaalsContact C-N 3.3Å; L360-K362 PolarHBondContact O-N 3.27Å; K362-D364 VanDerWaalsContact CD-OD2 3.25Å; K362-D364 WeakPolarHBondContact CD-OD2 3.45Å; K362-D364 VanDerWaalsContact CE-OD2 3.26Å; K362-D364 WeakPolarHBondContact CE-OD2 3.42Å; K362-D364 IonicContact NZ-OD2 3.44Å; K362-D364 PolarHBondContact NZ-OD2 3.31Å; K362-G380 PolarHBondContact NZ-O 3.19Å
363	M	98.3	Very high	93	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126	167.9	179	58.4	79	0	0	108.8	N323 F324 T325 Y358 I382 L412 Q415	N323-M363 PolarHBondContact O-N 3.24Å; F324-M363 CarbonylContact C-O 3.59Å; F324-M363 WeakPolarHBondContact CA-O 3.1Å; F324-M363 HydrophobicContact CD2-CB 3.76Å; F324-M363 HydrophobicContact CD2-CG 4.03Å; F324-M363 HydrophobicContact CE1-CG 4.3Å; F324-M363 HydrophobicContact CE2-CB 3.83Å; F324-M363 HydrophobicContact CE2-CG 3.57Å; F324-M363 HydrophobicContact CG-CB 4.25Å; F324-M363 HydrophobicContact CZ-CB 4.37Å; F324-M363 HydrophobicContact CZ-CG 3.72Å; T325-M363 PolarHBondContact N-O 2.75Å; Y358-M363 HydrophobicContact CE1-CE 4.18Å; Y358-M363 HydrophobicContact CE2-CE 3.63Å; Y358-M363 VanDerWaalsContact CZ-CE 3.41Å; Y358-M363 WeakPolarHBondContact OH-CE 3.12Å; M363-I382 HydrophobicContact CE-CD1 4Å; M363-I382 HydrophobicContact SD-CD1 3.73Å; M363-I382 HydrophobicContact SD-CG1 3.97Å; M363-L412 HydrophobicContact CE-CD2 3.78Å; M363-L412 HydrophobicContact CG-CD2 4.41Å; M363-L412 HydrophobicContact SD-CD2 4.47Å; M363-Q415 HydrophobicContact CE-CG 3.92Å
364	D	98.6	Very high	92.5	Very high	14 Å²	14	31.3 Å²	31.3	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.9	168.6	-67.1	-64.8	0	0	0	109.2	T325 W327 K362 G380 L381 I382	T325-D364 VanDerWaalsContact CB-OD1 3.23Å; T325-D364 WeakPolarHBondContact CB-OD1 3.45Å; T325-D364 CarbonylContact O-C 3.43Å; T325-D364 WeakPolarHBondContact O-CA 3.27Å; W327-D364 PolarHBondContact NE1-OD1 2.96Å; K362-D364 VanDerWaalsContact CD-OD2 3.25Å; K362-D364 WeakPolarHBondContact CD-OD2 3.45Å; K362-D364 VanDerWaalsContact CE-OD2 3.26Å; K362-D364 WeakPolarHBondContact CE-OD2 3.42Å; K362-D364 IonicContact NZ-OD2 3.44Å; K362-D364 PolarHBondContact NZ-OD2 3.31Å; D364-G380 PolarHBondContact N-O 3.12Å; D364-L381 HydrophobicContact CB-CD1 3.54Å; D364-L381 CarbonylContact O-C 3.46Å; D364-L381 VanDerWaalsContact O-CA 3.28Å; D364-L381 WeakPolarHBondContact O-CA 3.46Å; D364-I382 PolarHBondContact O-N 3.36Å
365	M	98.6	Very high	92.3	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.8	167.4	-66.9	172.2	36.3	0	0	108.8	F324 T325 V326 W327 A339 I382 F384 M389 V408	F324-M365 HydrophobicContact CE1-CG 4.15Å; F324-M365 HydrophobicContact CE1-SD 3.51Å; F324-M365 VanDerWaalsContact CE1-SD 3.51Å; F324-M365 HydrophobicContact CZ-CG 4.3Å; F324-M365 HydrophobicContact CZ-SD 3.54Å; F324-M365 VanDerWaalsContact CZ-SD 3.54Å; T325-M365 PolarHBondContact O-N 3.36Å; V326-M365 CarbonylContact C-O 3.42Å; V326-M365 VanDerWaalsContact CA-O 3.31Å; V326-M365 WeakPolarHBondContact CA-O 3.43Å; V326-M365 HydrophobicContact CG1-CB 4.36Å; V326-M365 HydrophobicContact CG2-CB 4.29Å; V326-M365 HydrophobicContact CG2-CE 4.47Å; W327-M365 PolarHBondContact N-O 2.94Å; A339-M365 HydrophobicContact CB-CE 3.87Å; M365-I382 CarbonylContact C-O 3.32Å; M365-I382 VanDerWaalsContact CA-O 3.32Å; M365-I382 WeakPolarHBondContact CA-O 3.39Å; M365-I382 HydrophobicContact CG-CB 4.35Å; M365-F384 HydrophobicContact CB-CD2 4.37Å; M365-F384 HydrophobicContact CB-CE2 3.76Å; M365-F384 HydrophobicContact CE-CE2 3.75Å; M365-F384 HydrophobicContact CE-CZ 3.83Å; M365-F384 HydrophobicContact CG-CE2 3.8Å; M365-F384 HydrophobicContact CG-CZ 4.36Å; M365-F384 HydrophobicContact SD-CE2 4.36Å; M365-F384 HydrophobicContact SD-CZ 4.44Å; M365-M389 HydrophobicContact CB-SD 3.76Å; M365-M389 HydrophobicContact CE-CG 3.77Å; M365-M389 HydrophobicContact CE-SD 3.47Å; M365-M389 WeakPolarHBondContact CE-SD 3.48Å; M365-V408 HydrophobicContact CE-CB 4.45Å; M365-V408 HydrophobicContact CE-CG1 4Å; M365-V408 HydrophobicContact CE-CG2 3.55Å; M365-V408 HydrophobicContact SD-CG1 4.06Å
366	I	98.4	Very high	92.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.8	-175.7	-174.5	158	0	0	0	113.4	L273 V307 F311 W327 I368 L381 I382 T383 F384	L273-I366 HydrophobicContact CD1-CD1 3.78Å; V307-I366 HydrophobicContact CB-CD1 4.36Å; V307-I366 HydrophobicContact CG1-CD1 3.72Å; V307-I366 HydrophobicContact CG2-CD1 4.43Å; V307-I366 HydrophobicContact CG2-CG2 4.48Å; F311-I366 HydrophobicContact CD2-CD1 3.57Å; F311-I366 HydrophobicContact CD2-CG1 3.74Å; F311-I366 HydrophobicContact CE2-CD1 3.89Å; F311-I366 HydrophobicContact CE2-CG1 3.81Å; W327-I366 HydrophobicContact CB-CB 3.95Å; W327-I366 HydrophobicContact CB-CD1 3.77Å; W327-I366 HydrophobicContact CB-CG1 3.72Å; W327-I366 HydrophobicContact CG-CD1 4.43Å; W327-I366 WeakPolarHBondContact O-CA 3.13Å; I366-I368 HydrophobicContact CD1-CD1 4.1Å; I366-I368 HydrophobicContact CG1-CD1 3.83Å; I366-I368 HydrophobicContact CG2-CD1 4.23Å; I366-I368 HydrophobicContact CG2-CG1 4.48Å; I366-L381 HydrophobicContact CB-CD1 4.49Å; I366-L381 HydrophobicContact CG2-CD1 3.97Å; I366-I382 PolarHBondContact N-O 2.89Å; I366-T383 HydrophobicContact CG2-CG2 3.75Å; I366-F384 PolarHBondContact O-N 3.46Å
367	A	96.8	Very high	92.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107	176.9	0	0	0	0	0	110.6	F311 W327 A328 F384 E386 M389 L390	F311-A367 WeakPolarHBondContact CE2-O 3.46Å; W327-A367 PolarHBondContact O-N 2.73Å; A328-A367 HydrophobicContact CB-CB 4.18Å; A367-F384 CarbonylContact C-O 3.59Å; A367-F384 WeakPolarHBondContact CA-O 3.46Å; A367-E386 HydrophobicContact CB-CG 4.07Å; A367-M389 HydrophobicContact CB-CE 3.27Å; A367-L390 HydrophobicContact CB-CD1 3.66Å; A367-L390 HydrophobicContact CB-CD2 3.97Å; A367-L390 HydrophobicContact CB-CG 3.75Å
368	I	95.5	Very high	92.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.5	179	-53.2	-64.1	0	0	0	109.8	L234 V307 F311 I366 F384	L234-I368 HydrophobicContact CD1-CD1 3.79Å; L234-I368 HydrophobicContact CD1-CG2 4.34Å; V307-I368 HydrophobicContact CG1-CD1 4.45Å; F311-I368 HydrophobicContact CE2-CD1 4.22Å; I366-I368 HydrophobicContact CD1-CD1 4.1Å; I366-I368 HydrophobicContact CG1-CD1 3.83Å; I366-I368 HydrophobicContact CG2-CD1 4.23Å; I366-I368 HydrophobicContact CG2-CG1 4.48Å; I368-F384 PolarHBondContact N-O 2.94Å
369	P	89.9	Confident	92.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.013	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	152	175	28.2	-33.3	0	0	0	110.8	S223 Y225 L234 F311 S371 E386	S223-P369 PolarHBondContact OG-O 3.09Å; Y225-P369 HydrophobicContact CD1-CG 4Å; Y225-P369 HydrophobicContact CG-CG 4.29Å; L234-P369 HydrophobicContact CD2-CG 4.02Å; F311-P369 HydrophobicContact CZ-CG 4.37Å; P369-S371 PolarHBondContact O-N 3.1Å; P369-E386 HydrophobicContact CB-CG 4.33Å
370	N	79.5	Confident	92.5	Very high	112 Å²	112	24.1 Å²	24.1	60%	0.599	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	24.1	174.7	-63.3	-46.4	0	0	0	115.4	R224	R224-N370 PolarHBondContact O-ND2 2.87Å
371	S	78.7	Confident	92.6	Very high	7 Å²	7	23.8 Å²	23.8	5%	0.049	13%	0.134	C	C	.	.			trans	-74.6	129.7	177.2	-178.2	0	0	0	0	110.6	P369 I373 R385	P369-S371 PolarHBondContact O-N 3.1Å; S371-I373 PolarHBondContact O-N 2.98Å; S371-I373 PolarHBondContact OG-N 2.49Å; S371-I373 VanDerWaalsContact OG-N 3.17Å; S371-I373 PolarHBondContact OG-O 3.34Å; S371-R385 PolarHBondContact O-NE 3.45Å; S371-R385 PolarHBondContact O-NH2 3.14Å
372	S	74.5	Confident	92.8	Very high	85 Å²	85	17.1 Å²	17.1	59%	0.594	10%	0.103	S	C	*	.	S	Bend	trans	-73.4	-15.1	170.6	67.8	0	0	0	0	112.5	S217 R385	S217-S372 VanDerWaalsContact CB-OG 3.25Å; S217-S372 WeakPolarHBondContact CB-OG 3.1Å; S217-S372 PolarHBondContact OG-OG 2.9Å; S217-S372 VanDerWaalsContact OG-OG 3.13Å; S372-R385 VanDerWaalsContact C-NH2 3.25Å; S372-R385 PolarHBondContact O-NH2 3.44Å
373	I	77.6	Confident	92.8	Very high	27 Å²	27	16.7 Å²	16.7	14%	0.138	10%	0.101	C	C	.	.	S	Bend	trans	-88	141.5	174.8	-55.7	121.3	0	0	0	109.7	Y221 Q238 S371 A375 R385	Y221-I373 HydrophobicContact CE1-CD1 4.41Å; Q238-I373 HydrophobicContact CB-CD1 3.43Å; Q238-I373 VanDerWaalsContact CB-CD1 3.43Å; Q238-I373 HydrophobicContact CB-CG1 4.42Å; Q238-I373 HydrophobicContact CG-CD1 3.36Å; Q238-I373 HydrophobicContact CG-CG1 3.81Å; S371-I373 PolarHBondContact O-N 2.98Å; S371-I373 PolarHBondContact OG-N 2.49Å; S371-I373 VanDerWaalsContact OG-N 3.17Å; S371-I373 PolarHBondContact OG-O 3.34Å; I373-A375 WeakPolarHBondContact CG2-O 3.03Å; I373-R385 PolarHBondContact O-NH2 3.06Å
374	T	87.2	Confident	92.8	Very high	78 Å²	78	16.7 Å²	16.7	48%	0.479	10%	0.101	S	C	.	.	S	Bend	trans	-67.9	-60.3	176.4	-62.8	0	0	0	0	110.1	R385 L388	T374-R385 WeakPolarHBondContact O-CB 3.31Å; T374-R385 PolarHBondContact O-N 3.11Å; T374-L388 HydrophobicContact CG2-CD1 3.21Å
375	A	94.6	Very high	92.5	Very high	15 Å²	15	19.6 Å²	19.6	12%	0.124	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	170.4	173.2	0	0	0	0	0	109.5	I373 T383 F384 T407 E411	I373-A375 WeakPolarHBondContact CG2-O 3.03Å; A375-T383 CarbonylContact C-O 3.56Å; A375-T383 WeakPolarHBondContact CA-O 3.47Å; A375-T383 WeakPolarHBondContact CB-O 3.16Å; A375-F384 HydrophobicContact CB-CD1 3.86Å; A375-F384 HydrophobicContact CB-CE1 4.32Å; A375-F384 HydrophobicContact CB-CG 4.4Å; A375-T407 HydrophobicContact CB-CG2 3.94Å; A375-E411 VanDerWaalsContact CB-CD 3.47Å; A375-E411 HydrophobicContact CB-CG 3.79Å; A375-E411 WeakPolarHBondContact CB-OE1 3.3Å
376	M	97	Very high	92.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	132.9	-178.6	-177.8	70	-148.1	0	0	110.7	Q238 E240 Y302 N378 I382 T383	Q238-M376 PolarHBondContact NE2-SD 3.45Å; E240-M376 HydrophobicContact CB-CE 3.58Å; E240-M376 HydrophobicContact CB-SD 3.65Å; E240-M376 HydrophobicContact CG-CE 4.32Å; Y302-M376 HydrophobicContact CD2-CE 3.49Å; Y302-M376 VanDerWaalsContact CD2-CE 3.49Å; Y302-M376 HydrophobicContact CE2-CE 3.65Å; M376-N378 WeakPolarHBondContact CG-OD1 3.36Å; M376-N378 PolarHBondContact O-N 3.32Å; M376-I382 WeakPolarHBondContact O-CA 3.14Å; M376-I382 WeakPolarHBondContact O-CG2 3.39Å; M376-T383 WeakPolarHBondContact CB-OG1 3.45Å; M376-T383 PolarHBondContact N-O 2.8Å; M376-T383 PolarHBondContact O-N 2.91Å; M376-T383 VanDerWaalsContact O-N 3.16Å
377	E	97.1	Very high	91.5	Very high	4 Å²	4	25 Å²	25	2%	0.019	14%	0.139	C	C	.	.			trans	-81.2	17.9	-165.1	77.5	-88.1	-154.1	0	0	115.7	Y302 L303 W379 E411 H414 Q415 N419	Y302-E377 WeakPolarHBondContact CE2-OE1 3.27Å; Y302-E377 PolarHBondContact OH-OE1 3.47Å; L303-E377 HydrophobicContact CD2-CG 3.76Å; E377-W379 PolarHBondContact O-N 3.42Å; E377-E411 WeakPolarHBondContact CA-OE2 3.45Å; E377-E411 PolarHBondContact N-OE2 2.86Å; E377-E411 VanDerWaalsContact N-OE2 3.16Å; E377-H414 HydrophobicContact CB-CB 3.26Å; E377-H414 VanDerWaalsContact CB-CG 3.5Å; E377-H414 HydrophobicContact CG-CB 3.63Å; E377-Q415 PolarHBondContact O-NE2 3.45Å; E377-N419 WeakPolarHBondContact CG-OD1 3.4Å; E377-N419 PolarHBondContact O-ND2 2.74Å
378	N	98	Very high	91.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.			trans	-46.2	125.6	-169.3	-60.1	112	0	0	0	111.5	L303 L304 A305 M376 G380 L381	L303-N378 WeakPolarHBondContact O-CB 3.5Å; L303-N378 PolarHBondContact O-ND2 2.75Å; L303-N378 VanDerWaalsContact O-ND2 3.13Å; L304-N378 PolarHBondContact O-ND2 2.86Å; A305-N378 HydrophobicContact CB-CB 3.59Å; M376-N378 WeakPolarHBondContact CG-OD1 3.36Å; M376-N378 PolarHBondContact O-N 3.32Å; N378-G380 PolarHBondContact O-N 2.96Å; N378-L381 VanDerWaalsContact CB-O 3.3Å; N378-L381 WeakPolarHBondContact CB-O 3.42Å; N378-L381 CarbonylContact O-C 3.5Å; N378-L381 PolarHBondContact O-N 3.2Å
379	W	95.6	Very high	91.3	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	105.8	-165.5	-155.7	-16.1	0	0	0	111.5	N275 V297 M299 L303 Y358 L360 E377 N419 I420 Y528	N275-W379 VanDerWaalsContact CA-O 3.31Å; N275-W379 WeakPolarHBondContact CA-O 3.44Å; N275-W379 WeakPolarHBondContact CB-O 3.22Å; N275-W379 PolarHBondContact ND2-N 3.05Å; N275-W379 PolarHBondContact ND2-O 2.98Å; V297-W379 HydrophobicContact CG2-CD2 3.9Å; V297-W379 HydrophobicContact CG2-CE3 3.83Å; V297-W379 HydrophobicContact CG2-CH2 3.65Å; V297-W379 HydrophobicContact CG2-CZ2 3.73Å; V297-W379 HydrophobicContact CG2-CZ3 3.72Å; M299-W379 HydrophobicContact CB-CE3 3.6Å; M299-W379 HydrophobicContact CB-CZ3 3.81Å; M299-W379 HydrophobicContact SD-CB 4.39Å; M299-W379 HydrophobicContact SD-CE3 4.46Å; L303-W379 HydrophobicContact CD1-CE3 4.1Å; Y358-W379 AromaticContact CE2-NE1 3.98Å; L360-W379 VanDerWaalsContact CD1-CD1 3.49Å; L360-W379 HydrophobicContact CD1-CG 4.13Å; E377-W379 PolarHBondContact O-N 3.42Å; W379-N419 HydrophobicContact CD2-CB 3.67Å; W379-N419 HydrophobicContact CE3-CB 3.67Å; W379-N419 HydrophobicContact CG-CB 4.18Å; W379-N419 HydrophobicContact CH2-CB 4.24Å; W379-N419 HydrophobicContact CZ2-CB 4.23Å; W379-N419 VanDerWaalsContact CZ3-C 3.44Å; W379-N419 HydrophobicContact CZ3-CB 3.95Å; W379-N419 VanDerWaalsContact CZ3-O 3.29Å; W379-N419 WeakPolarHBondContact CZ3-O 3.49Å; W379-I420 HydrophobicContact CH2-CB 4.29Å; W379-I420 HydrophobicContact CH2-CG1 3.68Å; W379-I420 HydrophobicContact CZ2-CB 4.44Å; W379-I420 HydrophobicContact CZ2-CD1 4.42Å; W379-I420 HydrophobicContact CZ2-CG1 3.41Å; W379-I420 VanDerWaalsContact CZ2-CG1 3.41Å; W379-Y528 AromaticContact CH2-CD1 3.92Å; W379-Y528 HydrophobicContact CH2-CD1 3.92Å; W379-Y528 AromaticContact CH2-CE1 3.76Å; W379-Y528 HydrophobicContact CH2-CE1 3.76Å; W379-Y528 HydrophobicContact CZ2-CE1 4.18Å
380	G	98	Very high	91.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.5	-178	0	0	0	0	0	116.4	Y358 K362 D364 N378	Y358-G380 VanDerWaalsContact OH-CA 3.31Å; Y358-G380 WeakPolarHBondContact OH-CA 3.41Å; K362-G380 PolarHBondContact NZ-O 3.19Å; D364-G380 PolarHBondContact N-O 3.12Å; N378-G380 PolarHBondContact O-N 2.96Å
381	L	98.5	Very high	91.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	71.1	173.6	178.2	57	0	0	0	110.2	L273 A305 V307 D364 I366 N378 T383	L273-L381 HydrophobicContact CB-CD1 4.03Å; L273-L381 HydrophobicContact CB-CD2 3.56Å; L273-L381 HydrophobicContact CB-CG 4.47Å; L273-L381 HydrophobicContact CD1-CD1 3.96Å; A305-L381 HydrophobicContact CB-CB 4.22Å; A305-L381 HydrophobicContact CB-CD2 3.91Å; A305-L381 HydrophobicContact CB-CG 4.21Å; V307-L381 HydrophobicContact CG2-CD2 4.12Å; D364-L381 HydrophobicContact CB-CD1 3.54Å; D364-L381 CarbonylContact O-C 3.46Å; D364-L381 VanDerWaalsContact O-CA 3.28Å; D364-L381 WeakPolarHBondContact O-CA 3.46Å; I366-L381 HydrophobicContact CB-CD1 4.49Å; I366-L381 HydrophobicContact CG2-CD1 3.97Å; N378-L381 VanDerWaalsContact CB-O 3.3Å; N378-L381 WeakPolarHBondContact CB-O 3.42Å; N378-L381 CarbonylContact O-C 3.5Å; N378-L381 PolarHBondContact O-N 3.2Å; L381-T383 PolarHBondContact O-N 3.3Å
382	I	98.6	Very high	92	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.1	-176.3	-57.1	169.9	0	0	0	109.6	M363 D364 M365 I366 M376 F384 E411 L412	M363-I382 HydrophobicContact CE-CD1 4Å; M363-I382 HydrophobicContact SD-CD1 3.73Å; M363-I382 HydrophobicContact SD-CG1 3.97Å; D364-I382 PolarHBondContact O-N 3.36Å; M365-I382 CarbonylContact C-O 3.32Å; M365-I382 VanDerWaalsContact CA-O 3.32Å; M365-I382 WeakPolarHBondContact CA-O 3.39Å; M365-I382 HydrophobicContact CG-CB 4.35Å; I366-I382 PolarHBondContact N-O 2.89Å; M376-I382 WeakPolarHBondContact O-CA 3.14Å; M376-I382 WeakPolarHBondContact O-CG2 3.39Å; I382-F384 HydrophobicContact CB-CE2 3.75Å; I382-F384 HydrophobicContact CB-CZ 4.21Å; I382-F384 HydrophobicContact CG2-CD2 4Å; I382-F384 HydrophobicContact CG2-CE1 4.21Å; I382-F384 HydrophobicContact CG2-CE2 3.19Å; I382-F384 HydrophobicContact CG2-CZ 3.34Å; I382-E411 HydrophobicContact CD1-CB 3.98Å; I382-E411 HydrophobicContact CG2-CB 3.42Å; I382-E411 VanDerWaalsContact CG2-CB 3.42Å; I382-E411 HydrophobicContact CG2-CG 3.62Å; I382-L412 HydrophobicContact CD1-CD2 3.76Å; I382-L412 HydrophobicContact CD1-CG 4.33Å
383	T	97.9	Very high	92.2	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.5	178.4	76.4	0	0	0	0	111.1	I366 A375 M376 L381	I366-T383 HydrophobicContact CG2-CG2 3.75Å; A375-T383 CarbonylContact C-O 3.56Å; A375-T383 WeakPolarHBondContact CA-O 3.47Å; A375-T383 WeakPolarHBondContact CB-O 3.16Å; M376-T383 WeakPolarHBondContact CB-OG1 3.45Å; M376-T383 PolarHBondContact N-O 2.8Å; M376-T383 PolarHBondContact O-N 2.91Å; M376-T383 VanDerWaalsContact O-N 3.16Å; L381-T383 PolarHBondContact O-N 3.3Å
384	F	97.4	Very high	92	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.2	-177.4	-62.1	-98.7	0	0	0	110.5	M365 I366 A367 I368 A375 I382 M389 T407 V408 E411	M365-F384 HydrophobicContact CB-CD2 4.37Å; M365-F384 HydrophobicContact CB-CE2 3.76Å; M365-F384 HydrophobicContact CE-CE2 3.75Å; M365-F384 HydrophobicContact CE-CZ 3.83Å; M365-F384 HydrophobicContact CG-CE2 3.8Å; M365-F384 HydrophobicContact CG-CZ 4.36Å; M365-F384 HydrophobicContact SD-CE2 4.36Å; M365-F384 HydrophobicContact SD-CZ 4.44Å; I366-F384 PolarHBondContact O-N 3.46Å; A367-F384 CarbonylContact C-O 3.59Å; A367-F384 WeakPolarHBondContact CA-O 3.46Å; I368-F384 PolarHBondContact N-O 2.94Å; A375-F384 HydrophobicContact CB-CD1 3.86Å; A375-F384 HydrophobicContact CB-CE1 4.32Å; A375-F384 HydrophobicContact CB-CG 4.4Å; I382-F384 HydrophobicContact CB-CE2 3.75Å; I382-F384 HydrophobicContact CB-CZ 4.21Å; I382-F384 HydrophobicContact CG2-CD2 4Å; I382-F384 HydrophobicContact CG2-CE1 4.21Å; I382-F384 HydrophobicContact CG2-CE2 3.19Å; I382-F384 HydrophobicContact CG2-CZ 3.34Å; F384-M389 HydrophobicContact CB-CB 3.73Å; F384-M389 HydrophobicContact CB-CG 4.48Å; F384-M389 HydrophobicContact CB-SD 4.28Å; F384-M389 HydrophobicContact CD1-CB 4.12Å; F384-M389 HydrophobicContact CD2-CB 4.33Å; F384-M389 HydrophobicContact CD2-CG 4.19Å; F384-M389 HydrophobicContact CD2-SD 3.39Å; F384-M389 WeakPolarHBondContact CD2-SD 3.25Å; F384-M389 HydrophobicContact CE2-SD 3.81Å; F384-M389 HydrophobicContact CG-CB 3.82Å; F384-M389 HydrophobicContact CG-CG 4.16Å; F384-M389 HydrophobicContact CG-SD 3.9Å; F384-T407 HydrophobicContact CD1-CG2 3.86Å; F384-T407 HydrophobicContact CE1-CG2 3.9Å; F384-V408 HydrophobicContact CE1-CG2 4.02Å; F384-V408 HydrophobicContact CZ-CG2 4.12Å; F384-E411 HydrophobicContact CD1-CG 4.38Å; F384-E411 HydrophobicContact CE1-CB 4.24Å; F384-E411 HydrophobicContact CE1-CG 3.54Å; F384-E411 HydrophobicContact CZ-CB 4.02Å; F384-E411 HydrophobicContact CZ-CG 3.77Å
385	R	93.4	Very high	91.3	Very high	76 Å²	76	31.5 Å²	31.5	29%	0.287	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.6	157	-165.9	-177.9	-67.8	160.7	6.6	109.6	S371 S372 I373 T374 N387 L388	S371-R385 PolarHBondContact O-NE 3.45Å; S371-R385 PolarHBondContact O-NH2 3.14Å; S372-R385 VanDerWaalsContact C-NH2 3.25Å; S372-R385 PolarHBondContact O-NH2 3.44Å; I373-R385 PolarHBondContact O-NH2 3.06Å; T374-R385 WeakPolarHBondContact O-CB 3.31Å; T374-R385 PolarHBondContact O-N 3.11Å; R385-N387 VanDerWaalsContact C-N 3.31Å; R385-N387 WeakPolarHBondContact CD-OD1 3.31Å; R385-N387 WeakPolarHBondContact CG-OD1 3.43Å; R385-N387 PolarHBondContact O-N 3.07Å; R385-N387 VanDerWaalsContact O-N 3.17Å; R385-L388 HydrophobicContact CB-CD1 4.25Å; R385-L388 PolarHBondContact O-N 3.19Å
386	E	91	Very high	90.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-50.9	-45.1	-173.7	-69.7	-165.3	132.3	0	0	114.4	R329 K332 A367 P369 L388 M389 L390	R329-E386 WeakPolarHBondContact CD-OE1 3.25Å; R329-E386 IonicContact CZ-OE1 3.69Å; R329-E386 IonicContact CZ-OE2 3.33Å; R329-E386 IonicContact NE-OE1 2.86Å; R329-E386 IonicContact NH1-OE1 3.57Å; R329-E386 PolarHBondContact NH1-OE1 3.22Å; R329-E386 IonicContact NH1-OE2 3.56Å; R329-E386 PolarHBondContact NH1-OE2 3.23Å; K332-E386 IonicContact NZ-OE2 2.69Å; K332-E386 PolarHBondContact NZ-OE2 3.38Å; A367-E386 HydrophobicContact CB-CG 4.07Å; P369-E386 HydrophobicContact CB-CG 4.33Å; E386-L388 PolarHBondContact O-N 3.04Å; E386-M389 PolarHBondContact O-N 2.71Å; E386-L390 HydrophobicContact CB-CD1 4.09Å; E386-L390 HydrophobicContact CG-CD1 4.18Å; E386-L390 VanDerWaalsContact O-CB 3.25Å; E386-L390 WeakPolarHBondContact O-CB 3.44Å; E386-L390 WeakPolarHBondContact O-CG 3.39Å; E386-L390 PolarHBondContact O-N 2.9Å
387	N	85.2	Confident	89.3	Confident	100 Å²	100	32.1 Å²	32.1	54%	0.535	17%	0.165	S	C	.	.	H	α-helix	trans	-70.2	-10.2	-176	69.1	-55.7	0	0	0	114.2	R385	R385-N387 VanDerWaalsContact C-N 3.31Å; R385-N387 WeakPolarHBondContact CD-OD1 3.31Å; R385-N387 WeakPolarHBondContact CG-OD1 3.43Å; R385-N387 PolarHBondContact O-N 3.07Å; R385-N387 VanDerWaalsContact O-N 3.17Å
388	L	92.2	Very high	88.1	Confident	28 Å²	28	33.4 Å²	33.4	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-102.6	-5.5	179.6	-60.3	175.7	0	0	0	113.2	T374 R385 E386 V404 T407	T374-L388 HydrophobicContact CG2-CD1 3.21Å; R385-L388 HydrophobicContact CB-CD1 4.25Å; R385-L388 PolarHBondContact O-N 3.19Å; E386-L388 PolarHBondContact O-N 3.04Å; L388-V404 WeakPolarHBondContact O-CA 3.36Å; L388-T407 HydrophobicContact CB-CG2 4.22Å
389	M	94.5	Very high	86.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-125.4	-31.1	175.9	-168.3	-176.3	70	0	0	112.6	V326 A339 M365 A367 F384 E386	V326-M389 HydrophobicContact CG1-CE 3.43Å; V326-M389 VanDerWaalsContact CG1-CE 3.43Å; V326-M389 HydrophobicContact CG1-SD 3.75Å; A339-M389 HydrophobicContact CB-CG 3.58Å; A339-M389 WeakPolarHBondContact CB-O 3.33Å; A339-M389 HydrophobicContact CB-SD 4.5Å; M365-M389 HydrophobicContact CB-SD 3.76Å; M365-M389 HydrophobicContact CE-CG 3.77Å; M365-M389 HydrophobicContact CE-SD 3.47Å; M365-M389 WeakPolarHBondContact CE-SD 3.48Å; A367-M389 HydrophobicContact CB-CE 3.27Å; F384-M389 HydrophobicContact CB-CB 3.73Å; F384-M389 HydrophobicContact CB-CG 4.48Å; F384-M389 HydrophobicContact CB-SD 4.28Å; F384-M389 HydrophobicContact CD1-CB 4.12Å; F384-M389 HydrophobicContact CD2-CB 4.33Å; F384-M389 HydrophobicContact CD2-CG 4.19Å; F384-M389 HydrophobicContact CD2-SD 3.39Å; F384-M389 WeakPolarHBondContact CD2-SD 3.25Å; F384-M389 HydrophobicContact CE2-SD 3.81Å; F384-M389 HydrophobicContact CG-CB 3.82Å; F384-M389 HydrophobicContact CG-CG 4.16Å; F384-M389 HydrophobicContact CG-SD 3.9Å; E386-M389 PolarHBondContact O-N 2.71Å
390	L	92.5	Very high	85.9	Confident	19 Å²	19	35 Å²	35	10%	0.099	18%	0.184	C	C	.	.			trans	-97.6	125.6	-174.2	-54.8	-177.2	0	0	0	110.7	A328 K332 A336 A367 E386	A328-L390 HydrophobicContact CB-CD1 4.12Å; A328-L390 HydrophobicContact CB-CD2 4.05Å; K332-L390 HydrophobicContact CB-CD1 3.88Å; K332-L390 HydrophobicContact CD-CD1 4Å; A336-L390 HydrophobicContact CB-CD2 3.77Å; A367-L390 HydrophobicContact CB-CD1 3.66Å; A367-L390 HydrophobicContact CB-CD2 3.97Å; A367-L390 HydrophobicContact CB-CG 3.75Å; E386-L390 HydrophobicContact CB-CD1 4.09Å; E386-L390 HydrophobicContact CG-CD1 4.18Å; E386-L390 VanDerWaalsContact O-CB 3.25Å; E386-L390 WeakPolarHBondContact O-CB 3.44Å; E386-L390 WeakPolarHBondContact O-CG 3.39Å; E386-L390 PolarHBondContact O-N 2.9Å
391	W	89.1	Confident	85.4	Confident	48 Å²	48	35.3 Å²	35.3	18%	0.182	19%	0.186	C	C	.	.			trans	-133.5	124	175	174.3	63.3	0	0	0	111.2	S335 Y338 P393 S397 S400 P401 V404	S335-W391 WeakPolarHBondContact CA-O 3.33Å; S335-W391 PolarHBondContact O-N 2.93Å; Y338-W391 HydrophobicContact CD1-CE3 4.21Å; Y338-W391 HydrophobicContact CD2-CZ3 4.47Å; Y338-W391 AromaticContact CG-CE3 3.97Å; Y338-W391 HydrophobicContact CG-CE3 3.97Å; Y338-W391 HydrophobicContact CG-CZ3 4.33Å; W391-P393 HydrophobicContact CH2-CB 3.83Å; W391-P393 HydrophobicContact CZ2-CB 4.02Å; W391-P393 HydrophobicContact CZ3-CB 4.18Å; W391-S397 PolarHBondContact NE1-O 2.94Å; W391-S400 VanDerWaalsContact CD1-CB 3.46Å; W391-P401 HydrophobicContact CD2-CG 3.66Å; W391-P401 VanDerWaalsContact CE2-CG 3.41Å; W391-P401 HydrophobicContact CE3-CG 3.87Å; W391-P401 HydrophobicContact CG-CG 4.32Å; W391-P401 HydrophobicContact CH2-CG 3.65Å; W391-P401 HydrophobicContact CZ2-CG 3.42Å; W391-P401 VanDerWaalsContact CZ2-CG 3.42Å; W391-P401 HydrophobicContact CZ3-CG 3.87Å; W391-V404 HydrophobicContact CB-CG2 4.16Å
392	N	83.1	Confident	85	Confident	42 Å²	42	35.4 Å²	35.4	23%	0.225	19%	0.186	C	C	.	.			trans	-97.2	115.2	173	-176.6	-11.7	0	0	0	109.5	E394 N395 G396	N392-E394 PolarHBondContact O-N 3.05Å; N392-E394 WeakPolarHBondContact OD1-CB 3.44Å; N392-E394 PolarHBondContact OD1-N 3.07Å; N392-N395 PolarHBondContact O-N 3.3Å; N392-G396 VanDerWaalsContact O-CA 3.24Å; N392-G396 WeakPolarHBondContact O-CA 3.49Å; N392-G396 PolarHBondContact O-N 2.87Å
393	P	77.5	Confident	84.7	Confident	91 Å²	91	38.4 Å²	38.4	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	178.8	26.5	-35	0	0	0	114.3	W391	W391-P393 HydrophobicContact CH2-CB 3.83Å; W391-P393 HydrophobicContact CZ2-CB 4.02Å; W391-P393 HydrophobicContact CZ3-CB 4.18Å
394	E	73.9	Confident	84.5	Confident	157 Å²	157	38.3 Å²	38.3	73%	0.734	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-37.2	-179.5	-61.2	178.2	173.3	0	0	112.6	N392	N392-E394 PolarHBondContact O-N 3.05Å; N392-E394 WeakPolarHBondContact OD1-CB 3.44Å; N392-E394 PolarHBondContact OD1-N 3.07Å
395	N	72	Confident	84.5	Confident	62 Å²	62	38.3 Å²	38.3	33%	0.332	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-18.5	-170.9	-71.1	-18.7	0	0	0	114.3	N392 P809	N392-N395 PolarHBondContact O-N 3.3Å; N395-P809 VanDerWaalsContact O-CB 3.25Å; N395-P809 WeakPolarHBondContact O-CB 3.48Å; N395-P809 VanDerWaalsContact O-CG 3.28Å; N395-P809 WeakPolarHBondContact O-CG 3.33Å
396	G	74.5	Confident	84.6	Confident	8 Å²	8	35.3 Å²	35.3	8%	0.082	19%	0.193	C	C	.	.	S	Bend	trans	-80.9	159.1	-177.1	0	0	0	0	0	112.6	N392 P809	N392-G396 VanDerWaalsContact O-CA 3.24Å; N392-G396 WeakPolarHBondContact O-CA 3.49Å; N392-G396 PolarHBondContact O-N 2.87Å; G396-P809 WeakPolarHBondContact O-CB 3.23Å
397	S	76.3	Confident	84.9	Confident	21 Å²	21	35.7 Å²	35.7	15%	0.147	20%	0.196	C	C	.	.			trans	-62.2	141.9	170.1	169.4	0	0	0	0	110.7	W391 A399 S400 D810	W391-S397 PolarHBondContact NE1-O 2.94Å; S397-A399 PolarHBondContact O-N 3.02Å; S397-A399 PolarHBondContact OG-N 3.34Å; S397-S400 WeakPolarHBondContact CB-OG 3.06Å; S397-S400 VanDerWaalsContact O-CB 3.32Å; S397-S400 WeakPolarHBondContact O-CB 3.38Å; S397-S400 PolarHBondContact O-N 3.47Å; S397-S400 PolarHBondContact O-OG 3.49Å; S397-D810 PolarHBondContact OG-OD1 3.05Å
398	I	71	Confident	85.6	Confident	32 Å²	32	31 Å²	31	16%	0.164	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.3	176	-149.7	168.7	0	0	0	112.2	P401 Q764 P766 M769 D810	I398-P401 VanDerWaalsContact O-CD 3.27Å; I398-P401 WeakPolarHBondContact O-CD 3.3Å; I398-Q764 WeakPolarHBondContact CD1-O 3.26Å; I398-P766 WeakPolarHBondContact O-CB 3.35Å; I398-P766 WeakPolarHBondContact O-CG 3.5Å; I398-M769 HydrophobicContact CG2-CB 3.34Å; I398-M769 HydrophobicContact CG2-CG 3.43Å; I398-M769 VanDerWaalsContact CG2-CG 3.43Å; I398-D810 VanDerWaalsContact CG2-OD1 3.28Å; I398-D810 WeakPolarHBondContact CG2-OD1 3.21Å; I398-D810 VanDerWaalsContact N-CG 3.31Å; I398-D810 PolarHBondContact N-OD1 2.87Å; I398-D810 PolarHBondContact N-OD2 3Å
399	A	66.7	Low	85.9	Confident	13 Å²	13	29.6 Å²	29.6	11%	0.107	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.9	170.6	0	0	0	0	0	112.8	S397 I402 R770 D810	S397-A399 PolarHBondContact O-N 3.02Å; S397-A399 PolarHBondContact OG-N 3.34Å; A399-I402 WeakPolarHBondContact O-CB 3.42Å; A399-I402 PolarHBondContact O-N 3.42Å; A399-I402 VanDerWaalsContact O-N 3.11Å; A399-R770 HydrophobicContact CB-CG 3.92Å; A399-D810 PolarHBondContact N-OD1 2.95Å
400	S	80.3	Confident	86.1	Confident	20 Å²	20	30.4 Å²	30.4	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-30.7	-179.3	-61.1	0	0	0	0	115.3	W391 S397 I402 D403 V404	W391-S400 VanDerWaalsContact CD1-CB 3.46Å; S397-S400 WeakPolarHBondContact CB-OG 3.06Å; S397-S400 VanDerWaalsContact O-CB 3.32Å; S397-S400 WeakPolarHBondContact O-CB 3.38Å; S397-S400 PolarHBondContact O-N 3.47Å; S397-S400 PolarHBondContact O-OG 3.49Å; S400-I402 PolarHBondContact O-N 2.89Å; S400-D403 PolarHBondContact O-N 3.1Å; S400-D403 VanDerWaalsContact O-N 3.14Å; S400-V404 WeakPolarHBondContact O-CG2 3.12Å; S400-V404 PolarHBondContact O-N 3.37Å
401	P	87.7	Confident	86.4	Confident	7 Å²	7	30 Å²	30	5%	0.045	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-33	171.2	-28	36.4	0	0	0	113.8	Y338 W391 I398 A405 W451	Y338-P401 HydrophobicContact CD1-CB 4.43Å; Y338-P401 HydrophobicContact CE1-CB 3.76Å; Y338-P401 WeakPolarHBondContact CE1-O 3.22Å; W391-P401 HydrophobicContact CD2-CG 3.66Å; W391-P401 VanDerWaalsContact CE2-CG 3.41Å; W391-P401 HydrophobicContact CE3-CG 3.87Å; W391-P401 HydrophobicContact CG-CG 4.32Å; W391-P401 HydrophobicContact CH2-CG 3.65Å; W391-P401 HydrophobicContact CZ2-CG 3.42Å; W391-P401 VanDerWaalsContact CZ2-CG 3.42Å; W391-P401 HydrophobicContact CZ3-CG 3.87Å; I398-P401 VanDerWaalsContact O-CD 3.27Å; I398-P401 WeakPolarHBondContact O-CD 3.3Å; P401-A405 VanDerWaalsContact O-CB 3.24Å; P401-A405 WeakPolarHBondContact O-CB 3.21Å; P401-A405 PolarHBondContact O-N 3.06Å; P401-W451 HydrophobicContact CB-CH2 3.92Å; P401-W451 HydrophobicContact CB-CZ2 4.3Å
402	I	90.8	Very high	86.8	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-50.7	174.7	-66.1	168.5	0	0	0	109	A399 S400 V404 A405 S406 W451 L456 P766 L767	A399-I402 WeakPolarHBondContact O-CB 3.42Å; A399-I402 PolarHBondContact O-N 3.42Å; A399-I402 VanDerWaalsContact O-N 3.11Å; S400-I402 PolarHBondContact O-N 2.89Å; I402-V404 VanDerWaalsContact C-N 3.35Å; I402-V404 PolarHBondContact O-N 3.01Å; I402-A405 PolarHBondContact O-N 3.27Å; I402-S406 VanDerWaalsContact O-CB 3.31Å; I402-S406 WeakPolarHBondContact O-CB 3.19Å; I402-S406 PolarHBondContact O-N 2.94Å; I402-S406 PolarHBondContact O-OG 3.26Å; I402-W451 HydrophobicContact CB-CE3 4.38Å; I402-W451 HydrophobicContact CB-CZ3 4.23Å; I402-W451 HydrophobicContact CG1-CD2 3.92Å; I402-W451 HydrophobicContact CG1-CE3 3.64Å; I402-W451 HydrophobicContact CG1-CH2 4.18Å; I402-W451 HydrophobicContact CG1-CZ2 4.49Å; I402-W451 HydrophobicContact CG1-CZ3 3.79Å; I402-L456 HydrophobicContact CG2-CD1 3.75Å; I402-P766 HydrophobicContact CD1-CB 3.53Å; I402-P766 HydrophobicContact CG1-CB 3.82Å; I402-L767 HydrophobicContact CD1-CD2 4.07Å
403	D	91	Very high	87.5	Confident	63 Å²	63	25.7 Å²	25.7	34%	0.337	15%	0.145	S	C	.	.	H	α-helix	trans	-63.7	-42.3	-176.7	-54.9	-39.8	0	0	0	110.9	S400 S406 T407 R770	S400-D403 PolarHBondContact O-N 3.1Å; S400-D403 VanDerWaalsContact O-N 3.14Å; D403-S406 PolarHBondContact O-N 3.06Å; D403-T407 WeakPolarHBondContact O-CB 3.47Å; D403-T407 PolarHBondContact O-N 3.39Å; D403-T407 PolarHBondContact O-OG1 3.28Å; D403-T407 VanDerWaalsContact O-OG1 3.06Å; D403-R770 IonicContact OD1-CZ 2.95Å; D403-R770 IonicContact OD1-NH2 3.93Å; D403-R770 PolarHBondContact OD1-NH2 3.31Å; D403-R770 IonicContact OD2-NH2 2.86Å
404	V	94.8	Very high	88.5	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-48	175.2	174.1	0	0	0	0	111.7	Y338 A339 L388 W391 S400 I402 V408	Y338-V404 HydrophobicContact CD1-CB 4.13Å; Y338-V404 HydrophobicContact CD1-CG1 3.79Å; Y338-V404 HydrophobicContact CE1-CB 4.22Å; Y338-V404 HydrophobicContact CE1-CG1 4.15Å; A339-V404 HydrophobicContact CB-CG1 4.2Å; L388-V404 WeakPolarHBondContact O-CA 3.36Å; W391-V404 HydrophobicContact CB-CG2 4.16Å; S400-V404 WeakPolarHBondContact O-CG2 3.12Å; S400-V404 PolarHBondContact O-N 3.37Å; I402-V404 VanDerWaalsContact C-N 3.35Å; I402-V404 PolarHBondContact O-N 3.01Å; V404-V408 HydrophobicContact CG1-CG2 4.27Å; V404-V408 VanDerWaalsContact O-CB 3.3Å; V404-V408 WeakPolarHBondContact O-CB 3.29Å; V404-V408 WeakPolarHBondContact O-CG2 3.48Å; V404-V408 PolarHBondContact O-N 3.13Å
405	A	96.7	Very high	89.7	Confident	2 Å²	2	13.9 Å²	13.9	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-65.2	-41.1	-179.8	0	0	0	0	0	111.7	Y338 P401 I402 S409 V444 W451	Y338-A405 HydrophobicContact CE1-CB 4.37Å; P401-A405 VanDerWaalsContact O-CB 3.24Å; P401-A405 WeakPolarHBondContact O-CB 3.21Å; P401-A405 PolarHBondContact O-N 3.06Å; I402-A405 PolarHBondContact O-N 3.27Å; A405-S409 WeakPolarHBondContact O-CB 3.47Å; A405-S409 PolarHBondContact O-N 2.78Å; A405-V444 HydrophobicContact CB-CG2 4Å; A405-W451 HydrophobicContact CB-CH2 4.43Å; A405-W451 HydrophobicContact CB-CZ3 3.94Å
406	S	96.5	Very high	91	Very high	13 Å²	13	11 Å²	11	9%	0.091	7%	0.067	C	C	.	.	H	α-helix	trans	-61.8	-54.8	176.1	-72.5	0	0	0	0	111.2	I402 D403 V408 S409 H410	I402-S406 VanDerWaalsContact O-CB 3.31Å; I402-S406 WeakPolarHBondContact O-CB 3.19Å; I402-S406 PolarHBondContact O-N 2.94Å; I402-S406 PolarHBondContact O-OG 3.26Å; D403-S406 PolarHBondContact O-N 3.06Å; S406-V408 PolarHBondContact O-N 3.43Å; S406-S409 WeakPolarHBondContact O-CB 3.35Å; S406-S409 PolarHBondContact O-N 2.75Å; S406-S409 VanDerWaalsContact O-N 3.1Å; S406-H410 PolarHBondContact O-N 3.2Å
407	T	97.4	Very high	92.1	Very high	21 Å²	21	10.7 Å²	10.7	13%	0.129	6%	0.063	C	C	.	.	H	α-helix	trans	-62.5	-42.8	-179.7	-52.9	0	0	0	0	111.3	A375 F384 L388 D403 S409 H410 E411	A375-T407 HydrophobicContact CB-CG2 3.94Å; F384-T407 HydrophobicContact CD1-CG2 3.86Å; F384-T407 HydrophobicContact CE1-CG2 3.9Å; L388-T407 HydrophobicContact CB-CG2 4.22Å; D403-T407 WeakPolarHBondContact O-CB 3.47Å; D403-T407 PolarHBondContact O-N 3.39Å; D403-T407 PolarHBondContact O-OG1 3.28Å; D403-T407 VanDerWaalsContact O-OG1 3.06Å; T407-S409 VanDerWaalsContact C-N 3.29Å; T407-S409 PolarHBondContact O-N 2.85Å; T407-H410 WeakPolarHBondContact O-CB 2.98Å; T407-H410 PolarHBondContact O-N 3.09Å; T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact O-CG 3.35Å; T407-E411 PolarHBondContact O-N 3.09Å
408	V	98.5	Very high	93	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-37.9	175.7	174.4	0	0	0	0	111.7	A339 V342 L346 M365 F384 V404 S406 L412	A339-V408 HydrophobicContact CB-CG2 4.5Å; V342-V408 HydrophobicContact CG2-CB 4.38Å; V342-V408 HydrophobicContact CG2-CG1 4.23Å; L346-V408 HydrophobicContact CD1-CB 4.3Å; L346-V408 HydrophobicContact CD1-CG1 3.91Å; M365-V408 HydrophobicContact CE-CB 4.45Å; M365-V408 HydrophobicContact CE-CG1 4Å; M365-V408 HydrophobicContact CE-CG2 3.55Å; M365-V408 HydrophobicContact SD-CG1 4.06Å; F384-V408 HydrophobicContact CE1-CG2 4.02Å; F384-V408 HydrophobicContact CZ-CG2 4.12Å; V404-V408 HydrophobicContact CG1-CG2 4.27Å; V404-V408 VanDerWaalsContact O-CB 3.3Å; V404-V408 WeakPolarHBondContact O-CB 3.29Å; V404-V408 WeakPolarHBondContact O-CG2 3.48Å; V404-V408 PolarHBondContact O-N 3.13Å; S406-V408 PolarHBondContact O-N 3.43Å; V408-L412 HydrophobicContact CG1-CD1 3.7Å; V408-L412 HydrophobicContact CG1-CG 4.29Å; V408-L412 WeakPolarHBondContact O-CB 3.41Å; V408-L412 VanDerWaalsContact O-CG 3.22Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 3.15Å
409	S	98.7	Very high	94.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.7	-40.4	176.3	-167.2	0	0	0	0	112.2	F350 A405 S406 T407 S413 E440 G443	F350-S409 VanDerWaalsContact CE2-O 3.3Å; F350-S409 WeakPolarHBondContact CE2-O 3.22Å; F350-S409 VanDerWaalsContact CZ-OG 3.31Å; F350-S409 WeakPolarHBondContact CZ-OG 3.49Å; A405-S409 WeakPolarHBondContact O-CB 3.47Å; A405-S409 PolarHBondContact O-N 2.78Å; S406-S409 WeakPolarHBondContact O-CB 3.35Å; S406-S409 PolarHBondContact O-N 2.75Å; S406-S409 VanDerWaalsContact O-N 3.1Å; T407-S409 VanDerWaalsContact C-N 3.29Å; T407-S409 PolarHBondContact O-N 2.85Å; S409-S413 WeakPolarHBondContact O-CB 3.34Å; S409-S413 PolarHBondContact O-N 3.28Å; S409-E440 WeakPolarHBondContact OG-CA 3.26Å; S409-E440 PolarHBondContact OG-O 3.18Å; S409-G443 WeakPolarHBondContact OG-CA 3.17Å
410	H	98.6	Very high	95.8	Very high	16 Å²	16	7.6 Å²	7.6	7%	0.074	4%	0.044	C	C	.	.	H	α-helix	trans	-55.7	-58	173.8	-168.5	108.6	0	0	0	110.6	S406 T407 L412 S413 H414 T437 E440	S406-H410 PolarHBondContact O-N 3.2Å; T407-H410 WeakPolarHBondContact O-CB 2.98Å; T407-H410 PolarHBondContact O-N 3.09Å; H410-L412 VanDerWaalsContact C-N 3.32Å; H410-L412 PolarHBondContact O-N 3.17Å; H410-S413 WeakPolarHBondContact O-CB 2.98Å; H410-S413 PolarHBondContact O-N 3.02Å; H410-S413 VanDerWaalsContact O-N 3.09Å; H410-S413 PolarHBondContact O-OG 2.91Å; H410-H414 AromaticContact CD2-CD2 3.61Å; H410-H414 AromaticContact CD2-NE2 3.43Å; H410-H414 PolarHBondContact CD2-NE2 2.6Å; H410-H414 AromaticContact NE2-CD2 3.99Å; H410-H414 AromaticContact NE2-NE2 3.3Å; H410-H414 PolarHBondContact NE2-NE2 3.05Å; H410-H414 PolarHBondContact O-CD2 3Å; H410-H414 PolarHBondContact O-N 2.93Å; H410-T437 PolarHBondContact CE1-N 3.18Å; H410-T437 PolarHBondContact CE1-OG1 2.74Å; H410-T437 PolarHBondContact ND1-N 3.49Å; H410-E440 HydrophobicContact CB-CB 3.94Å; H410-E440 IonicContact CE1-OE2 2.63Å; H410-E440 IonicContact CG-OE2 3.76Å; H410-E440 IonicContact ND1-OE2 3.32Å; H410-E440 PolarHBondContact ND1-OE2 3.35Å
411	E	98.6	Very high	96.6	Very high	10 Å²	10	6.7 Å²	6.7	5%	0.047	4%	0.037	C	C	.	.	H	α-helix	trans	-65.4	-32.1	-176.5	-58.6	-48.4	134.6	0	0	114	A375 E377 I382 F384 T407 H414 Q415	A375-E411 VanDerWaalsContact CB-CD 3.47Å; A375-E411 HydrophobicContact CB-CG 3.79Å; A375-E411 WeakPolarHBondContact CB-OE1 3.3Å; E377-E411 WeakPolarHBondContact CA-OE2 3.45Å; E377-E411 PolarHBondContact N-OE2 2.86Å; E377-E411 VanDerWaalsContact N-OE2 3.16Å; I382-E411 HydrophobicContact CD1-CB 3.98Å; I382-E411 HydrophobicContact CG2-CB 3.42Å; I382-E411 VanDerWaalsContact CG2-CB 3.42Å; I382-E411 HydrophobicContact CG2-CG 3.62Å; F384-E411 HydrophobicContact CD1-CG 4.38Å; F384-E411 HydrophobicContact CE1-CB 4.24Å; F384-E411 HydrophobicContact CE1-CG 3.54Å; F384-E411 HydrophobicContact CZ-CB 4.02Å; F384-E411 HydrophobicContact CZ-CG 3.77Å; T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact O-CG 3.35Å; T407-E411 PolarHBondContact O-N 3.09Å; E411-H414 WeakPolarHBondContact O-CB 3.12Å; E411-Q415 PolarHBondContact O-NE2 3.02Å
412	L	98.6	Very high	97.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-74.9	-31.6	175	-71.7	174.2	0	0	0	112.4	G343 L346 L347 F350 M363 I382 V408 H410 H414 Q415 W416	G343-L412 VanDerWaalsContact O-CD1 3.3Å; G343-L412 WeakPolarHBondContact O-CD1 3.37Å; L346-L412 HydrophobicContact CB-CD1 3.66Å; L346-L412 HydrophobicContact CD1-CD1 4.4Å; L347-L412 HydrophobicContact CD1-CD2 4.28Å; F350-L412 HydrophobicContact CD2-CB 4.12Å; F350-L412 HydrophobicContact CE2-CB 4.1Å; M363-L412 HydrophobicContact CE-CD2 3.78Å; M363-L412 HydrophobicContact CG-CD2 4.41Å; M363-L412 HydrophobicContact SD-CD2 4.47Å; I382-L412 HydrophobicContact CD1-CD2 3.76Å; I382-L412 HydrophobicContact CD1-CG 4.33Å; V408-L412 HydrophobicContact CG1-CD1 3.7Å; V408-L412 HydrophobicContact CG1-CG 4.29Å; V408-L412 WeakPolarHBondContact O-CB 3.41Å; V408-L412 VanDerWaalsContact O-CG 3.22Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 3.15Å; H410-L412 VanDerWaalsContact C-N 3.32Å; H410-L412 PolarHBondContact O-N 3.17Å; L412-H414 PolarHBondContact O-N 3.17Å; L412-Q415 WeakPolarHBondContact O-CB 3.49Å; L412-Q415 WeakPolarHBondContact O-CG 3.32Å; L412-Q415 PolarHBondContact O-N 3.46Å; L412-W416 VanDerWaalsContact O-CZ3 3.31Å; L412-W416 WeakPolarHBondContact O-CZ3 3.27Å
413	S	98.4	Very high	97.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66.1	-30.1	175.2	78	0	0	0	0	111.9	S409 H410 Q415 W416 F417 A436	S409-S413 WeakPolarHBondContact O-CB 3.34Å; S409-S413 PolarHBondContact O-N 3.28Å; H410-S413 WeakPolarHBondContact O-CB 2.98Å; H410-S413 PolarHBondContact O-N 3.02Å; H410-S413 VanDerWaalsContact O-N 3.09Å; H410-S413 PolarHBondContact O-OG 2.91Å; S413-Q415 PolarHBondContact O-N 3.34Å; S413-Q415 VanDerWaalsContact O-N 3.08Å; S413-W416 PolarHBondContact O-N 3.11Å; S413-F417 PolarHBondContact O-N 2.85Å; S413-A436 WeakPolarHBondContact OG-CA 3.45Å; S413-A436 WeakPolarHBondContact OG-CB 3.48Å
414	H	98.5	Very high	97.7	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.3	176.8	-86	-64.7	0	0	0	114.2	E377 H410 E411 L412 W416 F417 N419 E433 A436	E377-H414 HydrophobicContact CB-CB 3.26Å; E377-H414 VanDerWaalsContact CB-CG 3.5Å; E377-H414 HydrophobicContact CG-CB 3.63Å; H410-H414 AromaticContact CD2-CD2 3.61Å; H410-H414 AromaticContact CD2-NE2 3.43Å; H410-H414 PolarHBondContact CD2-NE2 2.6Å; H410-H414 AromaticContact NE2-CD2 3.99Å; H410-H414 AromaticContact NE2-NE2 3.3Å; H410-H414 PolarHBondContact NE2-NE2 3.05Å; H410-H414 PolarHBondContact O-CD2 3Å; H410-H414 PolarHBondContact O-N 2.93Å; E411-H414 WeakPolarHBondContact O-CB 3.12Å; L412-H414 PolarHBondContact O-N 3.17Å; H414-W416 PolarHBondContact O-N 2.96Å; H414-F417 CarbonylContact C-O 3.47Å; H414-F417 WeakPolarHBondContact CA-O 3.5Å; H414-F417 PolarHBondContact ND1-O 3.18Å; H414-F417 CarbonylContact O-C 3.43Å; H414-F417 PolarHBondContact O-N 3.16Å; H414-N419 VanDerWaalsContact O-CB 3.22Å; H414-N419 WeakPolarHBondContact O-CB 3.48Å; H414-N419 VanDerWaalsContact O-CG 3.24Å; H414-N419 PolarHBondContact O-N 3.27Å; H414-N419 VanDerWaalsContact O-N 3.11Å; H414-E433 IonicContact CE1-OE1 2.92Å; H414-E433 PolarHBondContact CE1-OE1 2.97Å; H414-E433 IonicContact NE2-OE1 2.67Å; H414-E433 IonicContact NE2-OE2 3.78Å; H414-A436 VanDerWaalsContact CE1-CB 3.4Å; H414-A436 WeakPolarHBondContact CE1-CB 3.46Å; H414-A436 WeakPolarHBondContact NE2-CB 3.46Å
415	Q	98.2	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.6	173.9	-51.5	-47.3	-62.5	0	0	111.9	Y358 M363 E377 E411 L412 S413 N419 I420	Y358-Q415 HydrophobicContact CD2-CB 3.92Å; Y358-Q415 HydrophobicContact CD2-CG 4.08Å; Y358-Q415 HydrophobicContact CE2-CB 3.95Å; Y358-Q415 HydrophobicContact CE2-CG 3.76Å; M363-Q415 HydrophobicContact CE-CG 3.92Å; E377-Q415 PolarHBondContact O-NE2 3.45Å; E411-Q415 PolarHBondContact O-NE2 3.02Å; L412-Q415 WeakPolarHBondContact O-CB 3.49Å; L412-Q415 WeakPolarHBondContact O-CG 3.32Å; L412-Q415 PolarHBondContact O-N 3.46Å; S413-Q415 PolarHBondContact O-N 3.34Å; S413-Q415 VanDerWaalsContact O-N 3.08Å; Q415-N419 PolarHBondContact NE2-ND2 3.42Å; Q415-N419 PolarHBondContact OE1-ND2 3.49Å; Q415-N419 VanDerWaalsContact OE1-ND2 3.09Å; Q415-I420 VanDerWaalsContact O-CD1 3.31Å; Q415-I420 WeakPolarHBondContact O-CD1 3.42Å; Q415-I420 WeakPolarHBondContact O-CG1 3.21Å; Q415-I420 PolarHBondContact O-N 2.97Å
416	W	98.4	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-40.5	170.4	-65.9	-95.5	0	0	0	113	L347 F350 E351 F354 I356 L412 S413 H414 V421 L523	L347-W416 HydrophobicContact CD1-CH2 4.01Å; L347-W416 HydrophobicContact CD1-CZ3 4.37Å; F350-W416 HydrophobicContact CB-CE3 3.93Å; F350-W416 HydrophobicContact CB-CH2 3.39Å; F350-W416 HydrophobicContact CB-CZ2 4.17Å; F350-W416 HydrophobicContact CB-CZ3 3.25Å; F350-W416 HydrophobicContact CD2-CZ3 4.23Å; F350-W416 HydrophobicContact CG-CZ3 4.05Å; E351-W416 HydrophobicContact CB-CZ2 4.39Å; E351-W416 HydrophobicContact CG-CH2 4.05Å; E351-W416 HydrophobicContact CG-CZ2 3.8Å; F354-W416 HydrophobicContact CB-CG 4.37Å; F354-W416 HydrophobicContact CD2-CB 4.07Å; F354-W416 AromaticContact CD2-CD1 3.81Å; F354-W416 AromaticContact CD2-CD2 3.38Å; F354-W416 HydrophobicContact CD2-CD2 3.38Å; F354-W416 AromaticContact CD2-CE2 3.69Å; F354-W416 AromaticContact CD2-CE3 3.81Å; F354-W416 HydrophobicContact CD2-CE3 3.81Å; F354-W416 AromaticContact CD2-CG 3.49Å; F354-W416 HydrophobicContact CD2-CG 3.49Å; F354-W416 VanDerWaalsContact CD2-CG 3.49Å; F354-W416 HydrophobicContact CD2-CZ2 4.35Å; F354-W416 HydrophobicContact CD2-CZ3 4.45Å; F354-W416 AromaticContact CD2-NE1 3.91Å; F354-W416 HydrophobicContact CE2-CB 4.21Å; F354-W416 AromaticContact CE2-CD2 3.85Å; F354-W416 HydrophobicContact CE2-CD2 3.85Å; F354-W416 AromaticContact CE2-CE3 3.85Å; F354-W416 HydrophobicContact CE2-CE3 3.85Å; F354-W416 HydrophobicContact CE2-CG 4.01Å; F354-W416 HydrophobicContact CG-CD2 4.31Å; F354-W416 HydrophobicContact CG-CG 4.03Å; I356-W416 WeakPolarHBondContact O-CZ2 3.48Å; I356-W416 PolarHBondContact O-NE1 3.33Å; I356-W416 VanDerWaalsContact O-NE1 3.13Å; L412-W416 VanDerWaalsContact O-CZ3 3.31Å; L412-W416 WeakPolarHBondContact O-CZ3 3.27Å; S413-W416 PolarHBondContact O-N 3.11Å; H414-W416 PolarHBondContact O-N 2.96Å; W416-V421 PolarHBondContact O-N 2.89Å; W416-L523 HydrophobicContact CB-CD1 4.02Å; W416-L523 HydrophobicContact CB-CD2 4.16Å; W416-L523 HydrophobicContact CG-CD1 4.4Å; W416-L523 WeakPolarHBondContact O-CD2 3Å
417	F	97.9	Very high	97.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.009	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-105.6	110.4	179.5	-60.2	-79.5	0	0	0	112.2	F354 S413 H414 F435 M439 L519 Y522 L523	F354-F417 HydrophobicContact CD1-CE2 4.47Å; F354-F417 AromaticContact CE1-CE2 3.54Å; F354-F417 HydrophobicContact CE1-CE2 3.54Å; F354-F417 AromaticContact CE1-CZ 3.95Å; F354-F417 HydrophobicContact CE1-CZ 3.95Å; F354-F417 HydrophobicContact CE2-CE2 4.41Å; F354-F417 HydrophobicContact CZ-CD2 4.32Å; F354-F417 AromaticContact CZ-CE2 3.52Å; F354-F417 HydrophobicContact CZ-CE2 3.52Å; F354-F417 HydrophobicContact CZ-CZ 4.39Å; S413-F417 PolarHBondContact O-N 2.85Å; H414-F417 CarbonylContact C-O 3.47Å; H414-F417 WeakPolarHBondContact CA-O 3.5Å; H414-F417 PolarHBondContact ND1-O 3.18Å; H414-F417 CarbonylContact O-C 3.43Å; H414-F417 PolarHBondContact O-N 3.16Å; F417-F435 HydrophobicContact CB-CB 4.09Å; F417-F435 HydrophobicContact CD1-CB 3.71Å; F417-F435 HydrophobicContact CD1-CD1 4.08Å; F417-F435 HydrophobicContact CD1-CD2 4.24Å; F417-F435 AromaticContact CD1-CG 3.73Å; F417-F435 HydrophobicContact CD1-CG 3.73Å; F417-F435 HydrophobicContact CD2-CB 3.92Å; F417-F435 HydrophobicContact CE1-CB 4.08Å; F417-F435 AromaticContact CE1-CD1 3.55Å; F417-F435 HydrophobicContact CE1-CD1 3.55Å; F417-F435 HydrophobicContact CE1-CD2 4.28Å; F417-F435 HydrophobicContact CE1-CE1 4.04Å; F417-F435 AromaticContact CE1-CG 3.68Å; F417-F435 HydrophobicContact CE1-CG 3.68Å; F417-F435 HydrophobicContact CE2-CB 4.25Å; F417-F435 HydrophobicContact CE2-CD1 4.07Å; F417-F435 HydrophobicContact CE2-CG 4.44Å; F417-F435 HydrophobicContact CG-CB 3.64Å; F417-F435 HydrophobicContact CG-CG 4.17Å; F417-F435 HydrophobicContact CZ-CB 4.34Å; F417-F435 AromaticContact CZ-CD1 3.56Å; F417-F435 HydrophobicContact CZ-CD1 3.56Å; F417-F435 HydrophobicContact CZ-CE1 4.13Å; F417-F435 HydrophobicContact CZ-CG 4.07Å; F417-M439 HydrophobicContact CE2-CE 4.18Å; F417-M439 HydrophobicContact CE2-CG 4.09Å; F417-M439 HydrophobicContact CZ-CE 4.37Å; F417-L519 HydrophobicContact CZ-CD1 4.22Å; F417-L519 HydrophobicContact CZ-CD2 4.41Å; F417-Y522 HydrophobicContact CE1-CD1 4.43Å; F417-Y522 HydrophobicContact CE1-CE1 4.27Å; F417-L523 HydrophobicContact CD1-CD2 4.26Å; F417-L523 HydrophobicContact CE1-CD2 4.02Å; F417-L523 HydrophobicContact CZ-CD1 4.18Å; F417-L523 HydrophobicContact CZ-CD2 4.36Å
418	G	96.6	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-35	-172.3	0	0	0	0	0	112.9	Y302 V421 T422 N432	Y302-G418 PolarHBondContact OH-O 3.12Å; G418-V421 CarbonylContact C-O 3.55Å; G418-V421 WeakPolarHBondContact CA-O 3.39Å; G418-V421 PolarHBondContact N-O 3.5Å; G418-T422 WeakPolarHBondContact O-CB 3.16Å; G418-T422 WeakPolarHBondContact O-CG2 3.47Å; G418-T422 PolarHBondContact O-OG1 2.89Å; G418-N432 VanDerWaalsContact CA-ND2 3.3Å; G418-N432 WeakPolarHBondContact CA-ND2 3.33Å; G418-N432 WeakPolarHBondContact CA-OD1 3.43Å
419	N	97.7	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-78.1	178.6	-66.8	1.9	0	0	0	112.8	K257 L303 E377 W379 H414 Q415 V421 T422	K257-N419 PolarHBondContact NZ-O 3.05Å; L303-N419 HydrophobicContact CD1-CB 4.29Å; L303-N419 WeakPolarHBondContact CD1-OD1 3.13Å; L303-N419 WeakPolarHBondContact CD2-OD1 3.21Å; E377-N419 WeakPolarHBondContact CG-OD1 3.4Å; E377-N419 PolarHBondContact O-ND2 2.74Å; W379-N419 HydrophobicContact CD2-CB 3.67Å; W379-N419 HydrophobicContact CE3-CB 3.67Å; W379-N419 HydrophobicContact CG-CB 4.18Å; W379-N419 HydrophobicContact CH2-CB 4.24Å; W379-N419 HydrophobicContact CZ2-CB 4.23Å; W379-N419 VanDerWaalsContact CZ3-C 3.44Å; W379-N419 HydrophobicContact CZ3-CB 3.95Å; W379-N419 VanDerWaalsContact CZ3-O 3.29Å; W379-N419 WeakPolarHBondContact CZ3-O 3.49Å; H414-N419 VanDerWaalsContact O-CB 3.22Å; H414-N419 WeakPolarHBondContact O-CB 3.48Å; H414-N419 VanDerWaalsContact O-CG 3.24Å; H414-N419 PolarHBondContact O-N 3.27Å; H414-N419 VanDerWaalsContact O-N 3.11Å; Q415-N419 PolarHBondContact NE2-ND2 3.42Å; Q415-N419 PolarHBondContact OE1-ND2 3.49Å; Q415-N419 VanDerWaalsContact OE1-ND2 3.09Å; N419-V421 PolarHBondContact O-N 2.84Å; N419-T422 PolarHBondContact O-OG1 3.24Å
420	I	97.3	Very high	97.4	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-49.5	179.6	-71.2	169.6	0	0	0	110.1	K257 I356 S359 W379 Q415 Q527 Y528	K257-I420 PolarHBondContact NZ-O 3.19Å; I356-I420 HydrophobicContact CG2-CD1 4.33Å; S359-I420 VanDerWaalsContact OG-CD1 3.31Å; S359-I420 WeakPolarHBondContact OG-CD1 3.47Å; W379-I420 HydrophobicContact CH2-CB 4.29Å; W379-I420 HydrophobicContact CH2-CG1 3.68Å; W379-I420 HydrophobicContact CZ2-CB 4.44Å; W379-I420 HydrophobicContact CZ2-CD1 4.42Å; W379-I420 HydrophobicContact CZ2-CG1 3.41Å; W379-I420 VanDerWaalsContact CZ2-CG1 3.41Å; Q415-I420 VanDerWaalsContact O-CD1 3.31Å; Q415-I420 WeakPolarHBondContact O-CD1 3.42Å; Q415-I420 WeakPolarHBondContact O-CG1 3.21Å; Q415-I420 PolarHBondContact O-N 2.97Å; I420-Q527 HydrophobicContact CG2-CB 3.91Å; I420-Q527 HydrophobicContact CG2-CG 3.85Å; I420-Y528 WeakPolarHBondContact O-CA 3.36Å; I420-Y528 PolarHBondContact O-N 3.47Å
421	V	98.4	Very high	97.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-115	121.1	172.6	-173.3	0	0	0	0	108.1	W416 G418 N419 Y522 L523 N526 T531	W416-V421 PolarHBondContact O-N 2.89Å; G418-V421 CarbonylContact C-O 3.55Å; G418-V421 WeakPolarHBondContact CA-O 3.39Å; G418-V421 PolarHBondContact N-O 3.5Å; N419-V421 PolarHBondContact O-N 2.84Å; V421-Y522 HydrophobicContact CB-CE1 4.49Å; V421-Y522 HydrophobicContact CG1-CE1 3.99Å; V421-Y522 HydrophobicContact CG1-CE2 4.42Å; V421-Y522 WeakPolarHBondContact CG1-OH 3.33Å; V421-L523 HydrophobicContact CB-CD2 4.2Å; V421-L523 HydrophobicContact CG2-CD2 3.74Å; V421-N526 HydrophobicContact CG1-CB 3.92Å; V421-N526 HydrophobicContact CG2-CB 3.97Å; V421-T531 HydrophobicContact CG1-CG2 3.58Å; V421-T531 WeakPolarHBondContact CG1-OG1 3.34Å
422	T	98.2	Very high	97.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.1	-176	-50.1	0	0	0	0	108.9	P254 K257 Y302 G418 N419 K529 N530 T531	P254-T422 HydrophobicContact CB-CG2 4.11Å; K257-T422 VanDerWaalsContact CE-CB 3.49Å; K257-T422 WeakPolarHBondContact CE-OG1 3.16Å; K257-T422 PolarHBondContact NZ-OG1 2.88Å; Y302-T422 HydrophobicContact CE1-CG2 3.91Å; G418-T422 WeakPolarHBondContact O-CB 3.16Å; G418-T422 WeakPolarHBondContact O-CG2 3.47Å; G418-T422 PolarHBondContact O-OG1 2.89Å; N419-T422 PolarHBondContact O-OG1 3.24Å; T422-K529 PolarHBondContact N-O 2.93Å; T422-N530 WeakPolarHBondContact CB-ND2 3.31Å; T422-N530 CarbonylContact O-C 3.59Å; T422-N530 WeakPolarHBondContact O-CA 3.37Å; T422-T531 PolarHBondContact O-N 3.33Å
423	M	97.6	Very high	97.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	147.5	168.2	73.4	-58.7	-170.6	0	0	112	P254 Y302 W425 W426 N428 L429 N432 N530 T531	P254-M423 HydrophobicContact CB-CE 3.94Å; P254-M423 HydrophobicContact CB-SD 4.19Å; P254-M423 HydrophobicContact CG-CE 4.15Å; Y302-M423 HydrophobicContact CE1-CE 4.32Å; M423-W425 WeakPolarHBondContact CB-O 3.34Å; M423-W425 WeakPolarHBondContact CG-O 3.5Å; M423-W426 HydrophobicContact CE-CD2 3.91Å; M423-W426 HydrophobicContact CE-CE3 3.35Å; M423-W426 HydrophobicContact CE-CH2 3.41Å; M423-W426 VanDerWaalsContact CE-CH2 3.41Å; M423-W426 HydrophobicContact CE-CZ2 3.96Å; M423-W426 HydrophobicContact CE-CZ3 3.09Å; M423-N428 HydrophobicContact CB-CB 3.93Å; M423-L429 HydrophobicContact CE-CD1 4.32Å; M423-N432 PolarHBondContact N-OD1 2.66Å; M423-N432 PolarHBondContact SD-ND2 3.35Å; M423-N530 PolarHBondContact O-ND2 3.38Å; M423-T531 CarbonylContact C-O 3.51Å; M423-T531 WeakPolarHBondContact CA-O 3.47Å
424	K	96.3	Very high	97.4	Very high	94 Å²	94	8.6 Å²	8.6	41%	0.409	4%	0.039	S	C	.	.	S	Bend	trans	-70.9	-36.2	174.2	-171.5	177.8	-178.2	-178.3	0	111.4	E255 N530 T531	E255-K424 HydrophobicContact CB-CG 4.25Å; E255-K424 VanDerWaalsContact OE2-CE 3.29Å; E255-K424 WeakPolarHBondContact OE2-CE 3.41Å; K424-N530 HydrophobicContact CB-CB 4.23Å; K424-T531 WeakPolarHBondContact CB-O 3.44Å; K424-T531 PolarHBondContact N-O 2.8Å
425	W	95.7	Very high	97.4	Very high	18 Å²	18	8.5 Å²	8.5	7%	0.068	4%	0.039	C	C	.	.	S	Bend	trans	-148.3	165.1	175.7	-168.5	-117.1	0	0	0	110.8	R99 E253 P254 M423 D427 N428 A481 I487	R99-W425 HydrophobicContact CG-CH2 4.28Å; R99-W425 HydrophobicContact CG-CZ2 4.22Å; E253-W425 HydrophobicContact CB-CZ3 3.78Å; E253-W425 HydrophobicContact CG-CH2 3.94Å; E253-W425 HydrophobicContact CG-CZ3 3.5Å; E253-W425 VanDerWaalsContact CG-CZ3 3.5Å; E253-W425 WeakPolarHBondContact OE2-CZ3 3.25Å; P254-W425 HydrophobicContact CG-CE3 4.09Å; M423-W425 WeakPolarHBondContact CB-O 3.34Å; M423-W425 WeakPolarHBondContact CG-O 3.5Å; W425-D427 WeakPolarHBondContact CB-OD1 3.49Å; W425-D427 PolarHBondContact O-N 3.4Å; W425-D427 VanDerWaalsContact O-N 3.16Å; W425-N428 PolarHBondContact O-N 3.02Å; W425-N428 VanDerWaalsContact O-N 3.11Å; W425-A481 PolarHBondContact NE1-O 3.46Å; W425-I487 HydrophobicContact CZ2-CD1 4.19Å
426	W	95.1	Very high	97.4	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.011	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.8	-174.9	-62.9	105.1	0	0	0	113.4	E240 A241 P254 Y302 M423 N428 L429 I487 M490 F491	E240-W426 HydrophobicContact CG-CH2 3.87Å; E240-W426 HydrophobicContact CG-CZ3 4.05Å; A241-W426 HydrophobicContact CB-CD2 4.06Å; A241-W426 HydrophobicContact CB-CE3 4.02Å; A241-W426 HydrophobicContact CB-CH2 3.61Å; A241-W426 HydrophobicContact CB-CZ2 3.62Å; A241-W426 HydrophobicContact CB-CZ3 3.78Å; A241-W426 WeakPolarHBondContact O-CH2 3.32Å; A241-W426 WeakPolarHBondContact O-CZ2 3.44Å; P254-W426 HydrophobicContact CG-CZ2 4.32Å; Y302-W426 HydrophobicContact CD1-CH2 4.17Å; Y302-W426 HydrophobicContact CE1-CH2 4.49Å; Y302-W426 HydrophobicContact CG-CH2 4.29Å; M423-W426 HydrophobicContact CE-CD2 3.91Å; M423-W426 HydrophobicContact CE-CE3 3.35Å; M423-W426 HydrophobicContact CE-CH2 3.41Å; M423-W426 VanDerWaalsContact CE-CH2 3.41Å; M423-W426 HydrophobicContact CE-CZ2 3.96Å; M423-W426 HydrophobicContact CE-CZ3 3.09Å; W426-N428 PolarHBondContact O-N 3.13Å; W426-L429 HydrophobicContact CE3-CD1 4.01Å; W426-L429 HydrophobicContact CZ3-CD1 3.97Å; W426-L429 WeakPolarHBondContact O-CB 3.23Å; W426-L429 PolarHBondContact O-N 3.19Å; W426-I487 HydrophobicContact CB-CG1 3.98Å; W426-I487 HydrophobicContact CB-CG2 4.01Å; W426-I487 VanDerWaalsContact CD1-CD1 3.45Å; W426-I487 HydrophobicContact CD2-CG2 3.68Å; W426-I487 HydrophobicContact CE3-CG2 4.08Å; W426-I487 HydrophobicContact CG-CB 4.4Å; W426-I487 HydrophobicContact CG-CD1 4.07Å; W426-I487 HydrophobicContact CG-CG1 3.92Å; W426-I487 HydrophobicContact CG-CG2 3.59Å; W426-M490 VanDerWaalsContact C-SD 3.59Å; W426-M490 HydrophobicContact CB-SD 4.1Å; W426-M490 WeakPolarHBondContact O-CE 3.32Å; W426-F491 HydrophobicContact CE3-CZ 4.16Å; W426-F491 AromaticContact CZ3-CZ 3.84Å; W426-F491 HydrophobicContact CZ3-CZ 3.84Å
427	D	94.2	Very high	97.4	Very high	46 Å²	46	8.7 Å²	8.7	25%	0.246	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-54.7	-25.6	173.6	63.7	-9.6	0	0	0	113.6	W425 F479	W425-D427 WeakPolarHBondContact CB-OD1 3.49Å; W425-D427 PolarHBondContact O-N 3.4Å; W425-D427 VanDerWaalsContact O-N 3.16Å; D427-F479 WeakPolarHBondContact CA-O 3.37Å; D427-F479 VanDerWaalsContact CB-O 3.26Å; D427-F479 WeakPolarHBondContact CB-O 3.43Å
428	N	96.6	Very high	97.5	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.016	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-106.3	21.9	177.9	-91	-69.8	0	0	0	113.9	M423 W425 W426 W430 L431 E533	M423-N428 HydrophobicContact CB-CB 3.93Å; W425-N428 PolarHBondContact O-N 3.02Å; W425-N428 VanDerWaalsContact O-N 3.11Å; W426-N428 PolarHBondContact O-N 3.13Å; N428-W430 PolarHBondContact O-N 3.38Å; N428-W430 PolarHBondContact OD1-NE1 3.41Å; N428-W430 VanDerWaalsContact OD1-NE1 3.16Å; N428-L431 HydrophobicContact CB-CD1 3.9Å; N428-L431 HydrophobicContact CB-CG 4.27Å; N428-L431 WeakPolarHBondContact O-CB 3.18Å; N428-L431 PolarHBondContact O-N 2.72Å; N428-E533 PolarHBondContact ND2-OE2 3.14Å; N428-E533 PolarHBondContact OD1-N 3.46Å; N428-E533 PolarHBondContact OD1-OE2 3.2Å
429	L	97.3	Very high	97.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.9	178.8	179.7	61.5	0	0	0	113.4	M423 W426 L431 N432 E433 M490 F491 T495	M423-L429 HydrophobicContact CE-CD1 4.32Å; W426-L429 HydrophobicContact CE3-CD1 4.01Å; W426-L429 HydrophobicContact CZ3-CD1 3.97Å; W426-L429 WeakPolarHBondContact O-CB 3.23Å; W426-L429 PolarHBondContact O-N 3.19Å; L429-L431 PolarHBondContact O-N 3.22Å; L429-N432 WeakPolarHBondContact O-CB 3.2Å; L429-N432 PolarHBondContact O-N 3.17Å; L429-E433 HydrophobicContact CD1-CG 3.75Å; L429-E433 HydrophobicContact CD2-CG 4.32Å; L429-E433 HydrophobicContact CG-CG 3.73Å; L429-E433 PolarHBondContact O-N 2.8Å; L429-M490 HydrophobicContact CB-CE 4.33Å; L429-M490 HydrophobicContact CD2-CB 3.83Å; L429-F491 HydrophobicContact CD1-CE1 4.03Å; L429-F491 HydrophobicContact CD1-CZ 4.1Å; L429-F491 HydrophobicContact CD2-CD1 3.84Å; L429-F491 HydrophobicContact CD2-CD2 4.05Å; L429-F491 HydrophobicContact CD2-CE1 3.62Å; L429-F491 HydrophobicContact CD2-CE2 3.83Å; L429-F491 HydrophobicContact CD2-CG 4.05Å; L429-F491 HydrophobicContact CD2-CZ 3.62Å; L429-F491 HydrophobicContact CG-CE1 4.42Å; L429-T495 HydrophobicContact CB-CG2 4.32Å; L429-T495 HydrophobicContact CD2-CG2 3.97Å; L429-T495 HydrophobicContact CG-CG2 3.83Å
430	W	98	Very high	97.6	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-60.3	-23.5	176.4	79.8	-81.2	0	0	0	114.2	N428 N432 G434 F435 V477 I478 T495 I503 E533 L536 W537 T561	N428-W430 PolarHBondContact O-N 3.38Å; N428-W430 PolarHBondContact OD1-NE1 3.41Å; N428-W430 VanDerWaalsContact OD1-NE1 3.16Å; W430-N432 PolarHBondContact O-N 3.21Å; W430-G434 WeakPolarHBondContact O-CA 3.39Å; W430-G434 PolarHBondContact O-N 3.49Å; W430-F435 HydrophobicContact CZ3-CE2 4.1Å; W430-F435 PolarHBondContact O-N 3.2Å; W430-V477 HydrophobicContact CB-CG1 3.48Å; W430-V477 VanDerWaalsContact CB-CG1 3.48Å; W430-V477 HydrophobicContact CD2-CG1 3.87Å; W430-V477 HydrophobicContact CG-CG1 3.35Å; W430-I478 HydrophobicContact CZ2-CD1 4.49Å; W430-T495 HydrophobicContact CB-CG2 4.48Å; W430-I503 HydrophobicContact CE3-CD1 4.34Å; W430-I503 HydrophobicContact CZ3-CD1 4.14Å; W430-I503 HydrophobicContact CZ3-CG1 4.08Å; W430-E533 HydrophobicContact CZ2-CB 4.1Å; W430-L536 HydrophobicContact CH2-CD2 3.78Å; W430-L536 HydrophobicContact CZ2-CD2 4.46Å; W430-L536 HydrophobicContact CZ3-CD2 4.48Å; W430-W537 AromaticContact CH2-CH2 3.41Å; W430-W537 HydrophobicContact CH2-CH2 3.41Å; W430-W537 VanDerWaalsContact CH2-CH2 3.41Å; W430-W537 AromaticContact CH2-CZ2 3.9Å; W430-W537 HydrophobicContact CH2-CZ2 3.9Å; W430-W537 HydrophobicContact CH2-CZ3 4.12Å; W430-W537 AromaticContact CZ2-CH2 3.93Å; W430-W537 HydrophobicContact CZ2-CH2 3.93Å; W430-W537 AromaticContact CZ2-CZ2 3.92Å; W430-W537 HydrophobicContact CZ2-CZ2 3.92Å; W430-W537 HydrophobicContact CZ3-CH2 4.45Å; W430-T561 HydrophobicContact CZ2-CG2 4.36Å
431	L	98.2	Very high	97.6	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-65.1	-24.7	173.3	-66.8	179.5	0	0	0	112.2	N428 L429 F435 L536	N428-L431 HydrophobicContact CB-CD1 3.9Å; N428-L431 HydrophobicContact CB-CG 4.27Å; N428-L431 WeakPolarHBondContact O-CB 3.18Å; N428-L431 PolarHBondContact O-N 2.72Å; L429-L431 PolarHBondContact O-N 3.22Å; L431-F435 HydrophobicContact CD2-CE2 4.39Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; L431-L536 HydrophobicContact CD2-CB 4.41Å; L431-L536 HydrophobicContact CD2-CD2 3.68Å
432	N	98.2	Very high	97.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-90.8	-70.5	171.7	-59.6	7	0	0	0	108.9	Y302 G418 M423 L429 W430 G434 F435 A436	Y302-N432 PolarHBondContact OH-ND2 2.9Å; G418-N432 VanDerWaalsContact CA-ND2 3.3Å; G418-N432 WeakPolarHBondContact CA-ND2 3.33Å; G418-N432 WeakPolarHBondContact CA-OD1 3.43Å; M423-N432 PolarHBondContact N-OD1 2.66Å; M423-N432 PolarHBondContact SD-ND2 3.35Å; L429-N432 WeakPolarHBondContact O-CB 3.2Å; L429-N432 PolarHBondContact O-N 3.17Å; W430-N432 PolarHBondContact O-N 3.21Å; N432-G434 PolarHBondContact O-N 3.25Å; N432-F435 PolarHBondContact O-N 3.41Å; N432-A436 WeakPolarHBondContact O-CB 3.37Å; N432-A436 PolarHBondContact O-N 2.97Å
433	E	98.2	Very high	97.6	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.028	5%	0.054	C	C	.	.	H	α-helix	trans	-66.6	-40.3	-168.4	-58.1	-48.5	112.9	0	0	113.1	H414 L429 F435 A436 T437 T495 Y496	H414-E433 IonicContact CE1-OE1 2.92Å; H414-E433 PolarHBondContact CE1-OE1 2.97Å; H414-E433 IonicContact NE2-OE1 2.67Å; H414-E433 IonicContact NE2-OE2 3.78Å; L429-E433 HydrophobicContact CD1-CG 3.75Å; L429-E433 HydrophobicContact CD2-CG 4.32Å; L429-E433 HydrophobicContact CG-CG 3.73Å; L429-E433 PolarHBondContact O-N 2.8Å; E433-F435 VanDerWaalsContact C-N 3.34Å; E433-A436 PolarHBondContact O-N 3.22Å; E433-T437 VanDerWaalsContact O-CB 3.23Å; E433-T437 WeakPolarHBondContact O-CB 3.44Å; E433-T437 PolarHBondContact O-N 2.9Å; E433-T437 PolarHBondContact O-OG1 2.72Å; E433-T495 HydrophobicContact CB-CG2 3.55Å; E433-T495 HydrophobicContact CG-CG2 3.78Å; E433-Y496 HydrophobicContact CB-CD1 3.96Å; E433-Y496 HydrophobicContact CB-CE1 3.74Å; E433-Y496 HydrophobicContact CB-CG 4.41Å; E433-Y496 HydrophobicContact CG-CE1 3.95Å; E433-Y496 HydrophobicContact CG-CE2 4.41Å; E433-Y496 WeakPolarHBondContact OE2-CE1 3.42Å; E433-Y496 PolarHBondContact OE2-OH 3.41Å
434	G	98.4	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.2	-39.7	179	0	0	0	0	0	111.3	W430 N432 F438 I503	W430-G434 WeakPolarHBondContact O-CA 3.39Å; W430-G434 PolarHBondContact O-N 3.49Å; N432-G434 PolarHBondContact O-N 3.25Å; G434-F438 WeakPolarHBondContact O-CB 3.47Å; G434-F438 PolarHBondContact O-N 2.94Å; G434-I503 WeakPolarHBondContact O-CD1 3.49Å
435	F	98.6	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70.2	-41.7	174.1	-88.5	-82.7	0	0	0	112.3	F417 W430 L431 N432 E433 F438 M439 I503 F515 L519 L536	F417-F435 HydrophobicContact CB-CB 4.09Å; F417-F435 HydrophobicContact CD1-CB 3.71Å; F417-F435 HydrophobicContact CD1-CD1 4.08Å; F417-F435 HydrophobicContact CD1-CD2 4.24Å; F417-F435 AromaticContact CD1-CG 3.73Å; F417-F435 HydrophobicContact CD1-CG 3.73Å; F417-F435 HydrophobicContact CD2-CB 3.92Å; F417-F435 HydrophobicContact CE1-CB 4.08Å; F417-F435 AromaticContact CE1-CD1 3.55Å; F417-F435 HydrophobicContact CE1-CD1 3.55Å; F417-F435 HydrophobicContact CE1-CD2 4.28Å; F417-F435 HydrophobicContact CE1-CE1 4.04Å; F417-F435 AromaticContact CE1-CG 3.68Å; F417-F435 HydrophobicContact CE1-CG 3.68Å; F417-F435 HydrophobicContact CE2-CB 4.25Å; F417-F435 HydrophobicContact CE2-CD1 4.07Å; F417-F435 HydrophobicContact CE2-CG 4.44Å; F417-F435 HydrophobicContact CG-CB 3.64Å; F417-F435 HydrophobicContact CG-CG 4.17Å; F417-F435 HydrophobicContact CZ-CB 4.34Å; F417-F435 AromaticContact CZ-CD1 3.56Å; F417-F435 HydrophobicContact CZ-CD1 3.56Å; F417-F435 HydrophobicContact CZ-CE1 4.13Å; F417-F435 HydrophobicContact CZ-CG 4.07Å; W430-F435 HydrophobicContact CZ3-CE2 4.1Å; W430-F435 PolarHBondContact O-N 3.2Å; L431-F435 HydrophobicContact CD2-CE2 4.39Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; N432-F435 PolarHBondContact O-N 3.41Å; E433-F435 VanDerWaalsContact C-N 3.34Å; F435-F438 PolarHBondContact O-N 2.84Å; F435-M439 HydrophobicContact CD1-CE 4.3Å; F435-M439 VanDerWaalsContact O-CB 3.28Å; F435-M439 WeakPolarHBondContact O-CB 3.38Å; F435-M439 WeakPolarHBondContact O-CG 3.45Å; F435-M439 PolarHBondContact O-N 3.29Å; F435-I503 HydrophobicContact CB-CD1 4.31Å; F435-I503 HydrophobicContact CD1-CD1 4.01Å; F435-I503 HydrophobicContact CD1-CG2 4.35Å; F435-I503 HydrophobicContact CD2-CD1 3.5Å; F435-I503 HydrophobicContact CD2-CG1 4.39Å; F435-I503 HydrophobicContact CE1-CD1 4.13Å; F435-I503 HydrophobicContact CE1-CG1 4.31Å; F435-I503 HydrophobicContact CE1-CG2 3.99Å; F435-I503 HydrophobicContact CE2-CD1 3.65Å; F435-I503 HydrophobicContact CE2-CG1 4.05Å; F435-I503 HydrophobicContact CG-CD1 3.7Å; F435-I503 HydrophobicContact CZ-CD1 3.97Å; F435-I503 HydrophobicContact CZ-CG1 4.01Å; F435-I503 HydrophobicContact CZ-CG2 4.41Å; F435-F515 AromaticContact CE1-CZ 4Å; F435-F515 HydrophobicContact CE1-CZ 4Å; F435-L519 HydrophobicContact CD1-CD2 4.41Å; F435-L519 HydrophobicContact CE1-CD1 4.01Å; F435-L519 HydrophobicContact CE1-CD2 3.43Å; F435-L519 VanDerWaalsContact CE1-CD2 3.43Å; F435-L519 HydrophobicContact CE1-CG 4.36Å; F435-L519 HydrophobicContact CZ-CD2 3.81Å; F435-L536 HydrophobicContact CE2-CD1 4.47Å; F435-L536 HydrophobicContact CE2-CD2 3.55Å; F435-L536 HydrophobicContact CZ-CD1 4.02Å; F435-L536 HydrophobicContact CZ-CD2 3.7Å
436	A	98.7	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.6	0	0	0	0	0	111.8	S413 H414 N432 E433 F438 M439 E440	S413-A436 WeakPolarHBondContact OG-CA 3.45Å; S413-A436 WeakPolarHBondContact OG-CB 3.48Å; H414-A436 VanDerWaalsContact CE1-CB 3.4Å; H414-A436 WeakPolarHBondContact CE1-CB 3.46Å; H414-A436 WeakPolarHBondContact NE2-CB 3.46Å; N432-A436 WeakPolarHBondContact O-CB 3.37Å; N432-A436 PolarHBondContact O-N 2.97Å; E433-A436 PolarHBondContact O-N 3.22Å; A436-F438 VanDerWaalsContact C-N 3.3Å; A436-F438 PolarHBondContact O-N 2.89Å; A436-M439 PolarHBondContact O-N 3.13Å; A436-E440 PolarHBondContact O-N 3.09Å
437	T	98.6	Very high	97.7	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-37.4	172.5	-53.3	0	0	0	0	111.9	H410 E433 E440 Y441 E461 Y496 A500	H410-T437 PolarHBondContact CE1-N 3.18Å; H410-T437 PolarHBondContact CE1-OG1 2.74Å; H410-T437 PolarHBondContact ND1-N 3.49Å; E433-T437 VanDerWaalsContact O-CB 3.23Å; E433-T437 WeakPolarHBondContact O-CB 3.44Å; E433-T437 PolarHBondContact O-N 2.9Å; E433-T437 PolarHBondContact O-OG1 2.72Å; T437-E440 VanDerWaalsContact O-CG 3.29Å; T437-E440 WeakPolarHBondContact O-CG 3.42Å; T437-Y441 WeakPolarHBondContact O-CD2 3.24Å; T437-Y441 VanDerWaalsContact O-CE2 3.26Å; T437-Y441 WeakPolarHBondContact O-CE2 3.42Å; T437-E461 HydrophobicContact CG2-CG 4.07Å; T437-Y496 WeakPolarHBondContact OG1-CD1 3.48Å; T437-A500 HydrophobicContact CG2-CB 3.59Å
438	F	98.7	Very high	97.6	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.013	7%	0.069	C	C	.	.	H	α-helix	trans	-73.2	-42.8	175.3	175.5	-99.8	0	0	0	112.1	G434 F435 A436 E440 Y441 I442 F457 A500 I503 W504 E507 F515	G434-F438 WeakPolarHBondContact O-CB 3.47Å; G434-F438 PolarHBondContact O-N 2.94Å; F435-F438 PolarHBondContact O-N 2.84Å; A436-F438 VanDerWaalsContact C-N 3.3Å; A436-F438 PolarHBondContact O-N 2.89Å; F438-E440 VanDerWaalsContact C-N 3.31Å; F438-E440 PolarHBondContact O-N 2.97Å; F438-Y441 PolarHBondContact O-N 2.93Å; F438-I442 HydrophobicContact CD1-CG1 4.25Å; F438-I442 HydrophobicContact CE1-CD1 4.13Å; F438-I442 HydrophobicContact CE1-CG1 3.81Å; F438-I442 HydrophobicContact CZ-CD1 4.02Å; F438-I442 HydrophobicContact CZ-CG1 4.18Å; F438-F457 HydrophobicContact CD2-CE2 4.25Å; F438-A500 HydrophobicContact CB-CB 4.31Å; F438-I503 HydrophobicContact CB-CB 4.28Å; F438-I503 HydrophobicContact CB-CG2 3.94Å; F438-I503 HydrophobicContact CD1-CG2 3.54Å; F438-I503 HydrophobicContact CD2-CB 4.4Å; F438-I503 HydrophobicContact CD2-CG2 3.95Å; F438-I503 HydrophobicContact CE1-CG2 3.98Å; F438-I503 HydrophobicContact CE2-CG2 4.36Å; F438-I503 HydrophobicContact CG-CB 4.2Å; F438-I503 HydrophobicContact CG-CG2 3.52Å; F438-I503 HydrophobicContact CZ-CG2 4.36Å; F438-W504 HydrophobicContact CD2-CB 4.16Å; F438-W504 HydrophobicContact CE2-CB 3.99Å; F438-W504 HydrophobicContact CE2-CE3 4.11Å; F438-E507 HydrophobicContact CZ-CB 3.98Å; F438-E507 HydrophobicContact CZ-CG 4.18Å; F438-F515 AromaticContact CE1-CE1 3.84Å; F438-F515 HydrophobicContact CE1-CE1 3.84Å; F438-F515 HydrophobicContact CE1-CZ 4.35Å; F438-F515 HydrophobicContact CZ-CE1 4.42Å
439	M	98.4	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.5	-22.1	-176	-70.3	-63.3	167.6	0	0	113	F350 Y353 F354 F417 F435 A436 Y441 I442 G443 F515 L519	F350-M439 HydrophobicContact CE1-CB 4.07Å; F350-M439 HydrophobicContact CZ-CB 4.28Å; F350-M439 WeakPolarHBondContact CZ-O 3.42Å; Y353-M439 HydrophobicContact CE1-CE 3.95Å; Y353-M439 HydrophobicContact CE1-SD 4.01Å; F354-M439 HydrophobicContact CE1-CE 3.91Å; F354-M439 HydrophobicContact CE1-SD 4.11Å; F354-M439 HydrophobicContact CZ-CE 4.16Å; F354-M439 HydrophobicContact CZ-CG 4.09Å; F354-M439 HydrophobicContact CZ-SD 3.8Å; F417-M439 HydrophobicContact CE2-CE 4.18Å; F417-M439 HydrophobicContact CE2-CG 4.09Å; F417-M439 HydrophobicContact CZ-CE 4.37Å; F435-M439 HydrophobicContact CD1-CE 4.3Å; F435-M439 VanDerWaalsContact O-CB 3.28Å; F435-M439 WeakPolarHBondContact O-CB 3.38Å; F435-M439 WeakPolarHBondContact O-CG 3.45Å; F435-M439 PolarHBondContact O-N 3.29Å; A436-M439 PolarHBondContact O-N 3.13Å; M439-Y441 VanDerWaalsContact C-N 3.26Å; M439-Y441 PolarHBondContact O-N 2.96Å; M439-I442 PolarHBondContact O-N 3.25Å; M439-I442 HydrophobicContact SD-CB 4.26Å; M439-I442 HydrophobicContact SD-CG1 4.13Å; M439-I442 HydrophobicContact SD-CG2 4.5Å; M439-G443 PolarHBondContact O-N 3.16Å; M439-F515 HydrophobicContact CE-CE1 4.35Å; M439-L519 HydrophobicContact CE-CD1 3.35Å
440	E	98.2	Very high	97.1	Very high	23 Å²	23	20.7 Å²	20.7	11%	0.107	11%	0.109	C	C	.	.	H	α-helix	trans	-57.3	-42.3	173.2	85.5	-173	-148	0	0	111.3	S409 H410 A436 T437 F438 G443 V444	S409-E440 WeakPolarHBondContact OG-CA 3.26Å; S409-E440 PolarHBondContact OG-O 3.18Å; H410-E440 HydrophobicContact CB-CB 3.94Å; H410-E440 IonicContact CE1-OE2 2.63Å; H410-E440 IonicContact CG-OE2 3.76Å; H410-E440 IonicContact ND1-OE2 3.32Å; H410-E440 PolarHBondContact ND1-OE2 3.35Å; A436-E440 PolarHBondContact O-N 3.09Å; T437-E440 VanDerWaalsContact O-CG 3.29Å; T437-E440 WeakPolarHBondContact O-CG 3.42Å; F438-E440 VanDerWaalsContact C-N 3.31Å; F438-E440 PolarHBondContact O-N 2.97Å; E440-G443 PolarHBondContact O-N 3.46Å; E440-V444 WeakPolarHBondContact O-CB 3.3Å; E440-V444 VanDerWaalsContact O-CG2 3.26Å; E440-V444 WeakPolarHBondContact O-CG2 3.34Å; E440-V444 PolarHBondContact O-N 2.93Å
441	Y	98.1	Very high	96.8	Very high	14 Å²	14	21.1 Å²	21.1	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-70.7	-39.9	178.1	-62.5	-90.1	0	0	0	110.9	T437 F438 M439 G443 V444 Q445 V453 L456 F457 E461	T437-Y441 WeakPolarHBondContact O-CD2 3.24Å; T437-Y441 VanDerWaalsContact O-CE2 3.26Å; T437-Y441 WeakPolarHBondContact O-CE2 3.42Å; F438-Y441 PolarHBondContact O-N 2.93Å; M439-Y441 VanDerWaalsContact C-N 3.26Å; M439-Y441 PolarHBondContact O-N 2.96Å; Y441-G443 PolarHBondContact O-N 2.98Å; Y441-V444 PolarHBondContact O-N 3.06Å; Y441-Q445 VanDerWaalsContact O-CB 3.23Å; Y441-Q445 WeakPolarHBondContact O-CB 3.31Å; Y441-Q445 PolarHBondContact O-N 2.94Å; Y441-V453 HydrophobicContact CD1-CB 4.12Å; Y441-V453 WeakPolarHBondContact O-CG2 3.24Å; Y441-L456 HydrophobicContact CD1-CB 4.34Å; Y441-L456 HydrophobicContact CE1-CB 3.83Å; Y441-F457 HydrophobicContact CD1-CB 3.83Å; Y441-F457 HydrophobicContact CD1-CD2 4.44Å; Y441-F457 HydrophobicContact CD2-CB 4.44Å; Y441-F457 AromaticContact CD2-CD2 3.56Å; Y441-F457 HydrophobicContact CD2-CD2 3.56Å; Y441-F457 HydrophobicContact CD2-CE2 4.34Å; Y441-F457 HydrophobicContact CD2-CG 4.5Å; Y441-F457 HydrophobicContact CE1-CB 3.89Å; Y441-F457 VanDerWaalsContact CE1-N 3.32Å; Y441-F457 AromaticContact CE2-CD2 3.66Å; Y441-F457 HydrophobicContact CE2-CD2 3.66Å; Y441-F457 HydrophobicContact CE2-CE2 4.41Å; Y441-F457 HydrophobicContact CG-CB 4.13Å; Y441-F457 AromaticContact CG-CD2 3.99Å; Y441-F457 HydrophobicContact CG-CD2 3.99Å; Y441-E461 HydrophobicContact CE2-CG 3.83Å; Y441-E461 WeakPolarHBondContact OH-CG 3.48Å; Y441-E461 PolarHBondContact OH-OE1 3.32Å
442	I	97.7	Very high	96.4	Very high	29 Å²	29	25.3 Å²	25.3	15%	0.149	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.9	-60.4	-58.8	0	0	0	111.1	Y353 F438 M439 Q445 S446	Y353-I442 HydrophobicContact CD2-CG2 3.98Å; Y353-I442 HydrophobicContact CE2-CG2 3.65Å; F438-I442 HydrophobicContact CD1-CG1 4.25Å; F438-I442 HydrophobicContact CE1-CD1 4.13Å; F438-I442 HydrophobicContact CE1-CG1 3.81Å; F438-I442 HydrophobicContact CZ-CD1 4.02Å; F438-I442 HydrophobicContact CZ-CG1 4.18Å; M439-I442 PolarHBondContact O-N 3.25Å; M439-I442 HydrophobicContact SD-CB 4.26Å; M439-I442 HydrophobicContact SD-CG1 4.13Å; M439-I442 HydrophobicContact SD-CG2 4.5Å; I442-Q445 PolarHBondContact O-N 3.39Å; I442-S446 PolarHBondContact O-N 3.26Å
443	G	98	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-47.1	178.3	0	0	0	0	0	112.1	L346 S409 M439 E440 Y441 Q445 S446	L346-G443 VanDerWaalsContact CD2-C 3.41Å; L346-G443 WeakPolarHBondContact CD2-O 3.38Å; S409-G443 WeakPolarHBondContact OG-CA 3.17Å; M439-G443 PolarHBondContact O-N 3.16Å; E440-G443 PolarHBondContact O-N 3.46Å; Y441-G443 PolarHBondContact O-N 2.98Å; G443-Q445 VanDerWaalsContact C-N 3.35Å; G443-Q445 PolarHBondContact O-N 3.48Å; G443-S446 WeakPolarHBondContact O-CB 3.46Å; G443-S446 PolarHBondContact O-N 3.49Å; G443-S446 VanDerWaalsContact O-N 3.15Å; G443-S446 PolarHBondContact O-OG 3.1Å
444	V	97.2	Very high	95.8	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-41.2	177	174.7	0	0	0	0	111.7	A405 E440 Y441 S446 L447 H448 W451 V453	A405-V444 HydrophobicContact CB-CG2 4Å; E440-V444 WeakPolarHBondContact O-CB 3.3Å; E440-V444 VanDerWaalsContact O-CG2 3.26Å; E440-V444 WeakPolarHBondContact O-CG2 3.34Å; E440-V444 PolarHBondContact O-N 2.93Å; Y441-V444 PolarHBondContact O-N 3.06Å; V444-S446 PolarHBondContact O-N 3.37Å; V444-L447 PolarHBondContact O-N 2.93Å; V444-L447 VanDerWaalsContact O-N 3.14Å; V444-H448 HydrophobicContact CG1-CB 4.44Å; V444-H448 PolarHBondContact O-N 3.4Å; V444-W451 HydrophobicContact CG1-CE3 3.63Å; V444-W451 HydrophobicContact CG1-CZ3 4.01Å; V444-V453 HydrophobicContact CB-CG1 4.11Å; V444-V453 HydrophobicContact CG1-CG1 3.71Å
445	Q	96.6	Very high	95.6	Very high	66 Å²	66	27.7 Å²	27.7	31%	0.308	14%	0.142	S	C	.	.	H	α-helix	trans	-59.5	-32.5	176.8	-178.1	59.1	34	0	0	112.6	Y441 I442 G443 L447 P449 V453	Y441-Q445 VanDerWaalsContact O-CB 3.23Å; Y441-Q445 WeakPolarHBondContact O-CB 3.31Å; Y441-Q445 PolarHBondContact O-N 2.94Å; I442-Q445 PolarHBondContact O-N 3.39Å; G443-Q445 VanDerWaalsContact C-N 3.35Å; G443-Q445 PolarHBondContact O-N 3.48Å; Q445-L447 VanDerWaalsContact C-N 3.31Å; Q445-P449 VanDerWaalsContact NE2-CA 3.34Å; Q445-P449 VanDerWaalsContact NE2-CB 3.31Å; Q445-P449 WeakPolarHBondContact O-CA 3.29Å; Q445-P449 WeakPolarHBondContact O-CD 3.27Å; Q445-V453 HydrophobicContact CB-CG1 4.09Å; Q445-V453 HydrophobicContact CB-CG2 3.66Å; Q445-V453 HydrophobicContact CG-CG2 4.2Å
446	S	96.8	Very high	95.4	Very high	46 Å²	46	27.9 Å²	27.9	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-68.2	-31.7	179.3	81.1	0	0	0	0	112.9	H349 I442 G443 V444	H349-S446 WeakPolarHBondContact CE1-CB 3.49Å; H349-S446 VanDerWaalsContact ND1-CB 3.33Å; H349-S446 WeakPolarHBondContact ND1-CB 3.45Å; H349-S446 PolarHBondContact ND1-OG 2.71Å; I442-S446 PolarHBondContact O-N 3.26Å; G443-S446 WeakPolarHBondContact O-CB 3.46Å; G443-S446 PolarHBondContact O-N 3.49Å; G443-S446 VanDerWaalsContact O-N 3.15Å; G443-S446 PolarHBondContact O-OG 3.1Å; V444-S446 PolarHBondContact O-N 3.37Å
447	L	96.2	Very high	95.3	Very high	44 Å²	44	27.9 Å²	27.9	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-97.7	-33.4	-177.5	-57	-164.8	0	0	0	112.8	V342 K345 L346 V444 Q445	V342-L447 HydrophobicContact CB-CD1 4.27Å; K345-L447 HydrophobicContact CB-CD1 3.67Å; K345-L447 HydrophobicContact CB-CD2 3.71Å; K345-L447 HydrophobicContact CB-CG 4.38Å; K345-L447 HydrophobicContact CD-CD1 4.23Å; K345-L447 HydrophobicContact CD-CD2 4.29Å; L346-L447 HydrophobicContact CD2-CD1 3.83Å; L346-L447 HydrophobicContact CD2-CG 4.1Å; L346-L447 HydrophobicContact CG-CD1 3.71Å; V444-L447 PolarHBondContact O-N 2.93Å; V444-L447 VanDerWaalsContact O-N 3.14Å; Q445-L447 VanDerWaalsContact C-N 3.31Å
448	H	93.7	Very high	95.2	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.162	14%	0.142	C	C	.	.			trans	-133.5	60.6	-172.5	-65.7	-63.5	0	0	0	111.6	Y338 V444 E450 W451	Y338-H448 PolarHBondContact OH-NE2 2.97Å; Y338-H448 VanDerWaalsContact OH-NE2 3.12Å; V444-H448 HydrophobicContact CG1-CB 4.44Å; V444-H448 PolarHBondContact O-N 3.4Å; H448-E450 VanDerWaalsContact CA-OE2 3.29Å; H448-E450 WeakPolarHBondContact CA-OE2 3.4Å; H448-E450 IonicContact CG-OE1 2.71Å; H448-E450 IonicContact ND1-OE1 3.37Å; H448-E450 PolarHBondContact ND1-OE1 3.11Å; H448-E450 PolarHBondContact O-N 3.11Å; H448-E450 VanDerWaalsContact O-N 3.14Å; H448-W451 HydrophobicContact CB-CB 4.26Å; H448-W451 HydrophobicContact CB-CD2 3.41Å; H448-W451 VanDerWaalsContact CB-CD2 3.41Å; H448-W451 HydrophobicContact CB-CE3 3.54Å; H448-W451 HydrophobicContact CB-CG 3.76Å; H448-W451 HydrophobicContact CB-CH2 4.43Å; H448-W451 HydrophobicContact CB-CZ2 4.28Å; H448-W451 HydrophobicContact CB-CZ3 4.06Å; H448-W451 AromaticContact CD2-CE3 4Å; H448-W451 AromaticContact CD2-CH2 3.53Å; H448-W451 AromaticContact CD2-CZ2 3.87Å; H448-W451 AromaticContact CD2-CZ3 3.56Å; H448-W451 AromaticContact CE1-CZ2 3.96Å; H448-W451 AromaticContact CG-CD2 3.8Å; H448-W451 AromaticContact CG-CE2 3.69Å; H448-W451 AromaticContact CG-CE3 3.84Å; H448-W451 AromaticContact CG-CH2 3.82Å; H448-W451 AromaticContact CG-CZ2 3.72Å; H448-W451 AromaticContact CG-CZ3 3.84Å; H448-W451 AromaticContact ND1-CE2 3.85Å; H448-W451 AromaticContact ND1-CZ2 3.77Å; H448-W451 AromaticContact NE2-CH2 3.82Å; H448-W451 WeakPolarHBondContact O-CB 3.46Å; H448-W451 PolarHBondContact O-N 3.44Å
449	P	92.7	Very high	95	Very high	70 Å²	70	27.7 Å²	27.7	46%	0.455	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-60.3	-24.6	179.5	26.4	-35.9	0	0	0	113.1	Q445 W451 K452	Q445-P449 VanDerWaalsContact NE2-CA 3.34Å; Q445-P449 VanDerWaalsContact NE2-CB 3.31Å; Q445-P449 WeakPolarHBondContact O-CA 3.29Å; Q445-P449 WeakPolarHBondContact O-CD 3.27Å; P449-W451 PolarHBondContact O-N 2.71Å; P449-K452 PolarHBondContact O-N 3.01Å
450	E	90	Very high	94.8	Very high	89 Å²	89	29.8 Å²	29.8	42%	0.416	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.5	174.5	71	-72.5	176.7	0	0	112.5	H448 K452 H765	H448-E450 VanDerWaalsContact CA-OE2 3.29Å; H448-E450 WeakPolarHBondContact CA-OE2 3.4Å; H448-E450 IonicContact CG-OE1 2.71Å; H448-E450 IonicContact ND1-OE1 3.37Å; H448-E450 PolarHBondContact ND1-OE1 3.11Å; H448-E450 PolarHBondContact O-N 3.11Å; H448-E450 VanDerWaalsContact O-N 3.14Å; E450-K452 PolarHBondContact O-N 2.83Å; E450-K452 VanDerWaalsContact O-N 3.15Å; E450-H765 WeakPolarHBondContact CB-NE2 3.46Å; E450-H765 VanDerWaalsContact CG-NE2 3.29Å; E450-H765 WeakPolarHBondContact CG-NE2 3.38Å; E450-H765 PolarHBondContact O-CE1 3.35Å; E450-H765 PolarHBondContact O-NE2 2.91Å
451	W	90.9	Very high	94.8	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.042	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-75.6	5.9	178.7	-64.1	-2	0	0	0	114.7	Y338 P401 I402 A405 V444 H448 P449 V453 H765 P766 L767	Y338-W451 VanDerWaalsContact OH-CH2 3.27Å; Y338-W451 WeakPolarHBondContact OH-CH2 3.42Å; P401-W451 HydrophobicContact CB-CH2 3.92Å; P401-W451 HydrophobicContact CB-CZ2 4.3Å; I402-W451 HydrophobicContact CB-CE3 4.38Å; I402-W451 HydrophobicContact CB-CZ3 4.23Å; I402-W451 HydrophobicContact CG1-CD2 3.92Å; I402-W451 HydrophobicContact CG1-CE3 3.64Å; I402-W451 HydrophobicContact CG1-CH2 4.18Å; I402-W451 HydrophobicContact CG1-CZ2 4.49Å; I402-W451 HydrophobicContact CG1-CZ3 3.79Å; A405-W451 HydrophobicContact CB-CH2 4.43Å; A405-W451 HydrophobicContact CB-CZ3 3.94Å; V444-W451 HydrophobicContact CG1-CE3 3.63Å; V444-W451 HydrophobicContact CG1-CZ3 4.01Å; H448-W451 HydrophobicContact CB-CB 4.26Å; H448-W451 HydrophobicContact CB-CD2 3.41Å; H448-W451 VanDerWaalsContact CB-CD2 3.41Å; H448-W451 HydrophobicContact CB-CE3 3.54Å; H448-W451 HydrophobicContact CB-CG 3.76Å; H448-W451 HydrophobicContact CB-CH2 4.43Å; H448-W451 HydrophobicContact CB-CZ2 4.28Å; H448-W451 HydrophobicContact CB-CZ3 4.06Å; H448-W451 AromaticContact CD2-CE3 4Å; H448-W451 AromaticContact CD2-CH2 3.53Å; H448-W451 AromaticContact CD2-CZ2 3.87Å; H448-W451 AromaticContact CD2-CZ3 3.56Å; H448-W451 AromaticContact CE1-CZ2 3.96Å; H448-W451 AromaticContact CG-CD2 3.8Å; H448-W451 AromaticContact CG-CE2 3.69Å; H448-W451 AromaticContact CG-CE3 3.84Å; H448-W451 AromaticContact CG-CH2 3.82Å; H448-W451 AromaticContact CG-CZ2 3.72Å; H448-W451 AromaticContact CG-CZ3 3.84Å; H448-W451 AromaticContact ND1-CE2 3.85Å; H448-W451 AromaticContact ND1-CZ2 3.77Å; H448-W451 AromaticContact NE2-CH2 3.82Å; H448-W451 WeakPolarHBondContact O-CB 3.46Å; H448-W451 PolarHBondContact O-N 3.44Å; P449-W451 PolarHBondContact O-N 2.71Å; W451-V453 VanDerWaalsContact C-N 3.34Å; W451-V453 PolarHBondContact O-N 3.05Å; W451-H765 AromaticContact CD1-CE1 3.67Å; W451-H765 AromaticContact CD1-NE2 3.51Å; W451-P766 HydrophobicContact CZ2-CG 3.88Å; W451-L767 HydrophobicContact CB-CG 4.47Å; W451-L767 WeakPolarHBondContact O-CD1 3.17Å; W451-L767 WeakPolarHBondContact O-CG 3.38Å
452	K	90.1	Very high	94.8	Very high	89 Å²	89	29.1 Å²	29.1	39%	0.387	15%	0.151	S	C	.	.			trans	40.2	59.2	173.5	-56.1	-174.3	175.3	-177.7	0	112.5	P449 E450 D454 E455 L767	P449-K452 PolarHBondContact O-N 3.01Å; E450-K452 PolarHBondContact O-N 2.83Å; E450-K452 VanDerWaalsContact O-N 3.15Å; K452-D454 PolarHBondContact O-N 3.4Å; K452-E455 HydrophobicContact CB-CB 4.49Å; K452-E455 HydrophobicContact CB-CG 4.2Å; K452-E455 HydrophobicContact CD-CG 4.37Å; K452-E455 WeakPolarHBondContact CD-OE1 3.32Å; K452-E455 IonicContact NZ-OE1 3.55Å; K452-E455 PolarHBondContact NZ-OE1 3.19Å; K452-E455 WeakPolarHBondContact O-CB 3Å; K452-E455 PolarHBondContact O-N 3.19Å; K452-L767 HydrophobicContact CB-CD1 3.79Å; K452-L767 HydrophobicContact CD-CD1 4.38Å; K452-L767 HydrophobicContact CG-CD1 4.17Å
453	V	91.9	Very high	94.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-26	-168.5	-51.9	0	0	0	0	113	Y441 V444 Q445 W451 E455 L456 F457	Y441-V453 HydrophobicContact CD1-CB 4.12Å; Y441-V453 WeakPolarHBondContact O-CG2 3.24Å; V444-V453 HydrophobicContact CB-CG1 4.11Å; V444-V453 HydrophobicContact CG1-CG1 3.71Å; Q445-V453 HydrophobicContact CB-CG1 4.09Å; Q445-V453 HydrophobicContact CB-CG2 3.66Å; Q445-V453 HydrophobicContact CG-CG2 4.2Å; W451-V453 VanDerWaalsContact C-N 3.34Å; W451-V453 PolarHBondContact O-N 3.05Å; V453-E455 PolarHBondContact O-N 3.18Å; V453-L456 CarbonylContact O-C 3.52Å; V453-L456 WeakPolarHBondContact O-CA 3.45Å; V453-L456 WeakPolarHBondContact O-CB 3.47Å; V453-L456 PolarHBondContact O-N 3.29Å; V453-F457 PolarHBondContact O-N 3.42Å
454	D	93.1	Very high	94.7	Very high	50 Å²	50	30.9 Å²	30.9	27%	0.267	16%	0.158	S	C	.	.	H	α-helix	trans	-55.5	-38.3	172.8	-70.3	2.3	0	0	0	111.6	K452 L456 I458 W504 Y678	K452-D454 PolarHBondContact O-N 3.4Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-I458 WeakPolarHBondContact O-CB 3.49Å; D454-I458 WeakPolarHBondContact O-CD1 3.28Å; D454-I458 VanDerWaalsContact O-CG1 3.23Å; D454-I458 WeakPolarHBondContact O-CG1 3.41Å; D454-I458 PolarHBondContact O-N 3.36Å; D454-W504 HydrophobicContact CB-CH2 3.99Å; D454-Y678 HydrophobicContact CB-CE2 4.16Å; D454-Y678 WeakPolarHBondContact CB-OH 3.16Å
455	E	93.8	Very high	94.7	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-39.2	175	-68.3	-172.1	-160.1	0	0	111.1	K452 V453 L459 Y678 F714 I715	K452-E455 HydrophobicContact CB-CB 4.49Å; K452-E455 HydrophobicContact CB-CG 4.2Å; K452-E455 HydrophobicContact CD-CG 4.37Å; K452-E455 WeakPolarHBondContact CD-OE1 3.32Å; K452-E455 IonicContact NZ-OE1 3.55Å; K452-E455 PolarHBondContact NZ-OE1 3.19Å; K452-E455 WeakPolarHBondContact O-CB 3Å; K452-E455 PolarHBondContact O-N 3.19Å; V453-E455 PolarHBondContact O-N 3.18Å; E455-L459 WeakPolarHBondContact O-CB 3.25Å; E455-L459 WeakPolarHBondContact O-CD1 3.44Å; E455-L459 WeakPolarHBondContact O-CG 3.41Å; E455-L459 PolarHBondContact O-N 3Å; E455-L459 VanDerWaalsContact O-N 3.15Å; E455-Y678 HydrophobicContact CG-CE1 3.58Å; E455-F714 WeakPolarHBondContact OE2-CD1 3.49Å; E455-I715 HydrophobicContact CB-CB 4.26Å; E455-I715 HydrophobicContact CB-CD1 4.12Å; E455-I715 HydrophobicContact CG-CB 4.16Å; E455-I715 HydrophobicContact CG-CD1 4.15Å; E455-I715 HydrophobicContact CG-CG2 4.24Å
456	L	93.3	Very high	94.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-48.2	176.8	-63.2	176.4	0	0	0	111	I402 Y441 V453 D454 I458 L459 D460 F714 L767	I402-L456 HydrophobicContact CG2-CD1 3.75Å; Y441-L456 HydrophobicContact CD1-CB 4.34Å; Y441-L456 HydrophobicContact CE1-CB 3.83Å; V453-L456 CarbonylContact O-C 3.52Å; V453-L456 WeakPolarHBondContact O-CA 3.45Å; V453-L456 WeakPolarHBondContact O-CB 3.47Å; V453-L456 PolarHBondContact O-N 3.29Å; D454-L456 VanDerWaalsContact C-N 3.33Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 2.88Å; L456-L459 PolarHBondContact O-N 2.96Å; L456-D460 WeakPolarHBondContact O-CB 3.34Å; L456-D460 PolarHBondContact O-N 3.22Å; L456-F714 HydrophobicContact CD2-CE1 4.45Å; L456-L767 HydrophobicContact CD1-CD2 4.11Å; L456-L767 HydrophobicContact CD2-CD2 3.59Å; L456-L767 HydrophobicContact CG-CD2 3.95Å
457	F	97.1	Very high	94.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-55.2	-47.4	177.2	-177.9	-88.1	0	0	0	111.7	F438 Y441 V453 L459 E461 L462 A500 W504	F438-F457 HydrophobicContact CD2-CE2 4.25Å; Y441-F457 HydrophobicContact CD1-CB 3.83Å; Y441-F457 HydrophobicContact CD1-CD2 4.44Å; Y441-F457 HydrophobicContact CD2-CB 4.44Å; Y441-F457 AromaticContact CD2-CD2 3.56Å; Y441-F457 HydrophobicContact CD2-CD2 3.56Å; Y441-F457 HydrophobicContact CD2-CE2 4.34Å; Y441-F457 HydrophobicContact CD2-CG 4.5Å; Y441-F457 HydrophobicContact CE1-CB 3.89Å; Y441-F457 VanDerWaalsContact CE1-N 3.32Å; Y441-F457 AromaticContact CE2-CD2 3.66Å; Y441-F457 HydrophobicContact CE2-CD2 3.66Å; Y441-F457 HydrophobicContact CE2-CE2 4.41Å; Y441-F457 HydrophobicContact CG-CB 4.13Å; Y441-F457 AromaticContact CG-CD2 3.99Å; Y441-F457 HydrophobicContact CG-CD2 3.99Å; V453-F457 PolarHBondContact O-N 3.42Å; F457-L459 VanDerWaalsContact C-N 3.29Å; F457-L459 PolarHBondContact O-N 3.22Å; F457-E461 HydrophobicContact CD2-CB 4.26Å; F457-E461 HydrophobicContact CD2-CG 3.96Å; F457-E461 HydrophobicContact CE2-CB 4.09Å; F457-E461 HydrophobicContact CE2-CG 3.99Å; F457-E461 HydrophobicContact CZ-CB 4.22Å; F457-E461 WeakPolarHBondContact O-CA 3.2Å; F457-E461 WeakPolarHBondContact O-CB 3.38Å; F457-E461 PolarHBondContact O-N 3.28Å; F457-L462 HydrophobicContact CE1-CB 4.45Å; F457-L462 PolarHBondContact O-N 3.37Å; F457-L462 VanDerWaalsContact O-N 3.11Å; F457-A500 HydrophobicContact CE2-CB 4.04Å; F457-A500 HydrophobicContact CZ-CB 4.35Å; F457-W504 HydrophobicContact CB-CZ3 4.45Å; F457-W504 AromaticContact CD1-CD2 3.71Å; F457-W504 HydrophobicContact CD1-CD2 3.71Å; F457-W504 AromaticContact CD1-CE3 3.57Å; F457-W504 HydrophobicContact CD1-CE3 3.57Å; F457-W504 HydrophobicContact CD1-CG 4.19Å; F457-W504 HydrophobicContact CD1-CH2 4.47Å; F457-W504 AromaticContact CD1-CZ3 3.98Å; F457-W504 HydrophobicContact CD1-CZ3 3.98Å; F457-W504 HydrophobicContact CD2-CE3 4.35Å; F457-W504 HydrophobicContact CE1-CB 3.58Å; F457-W504 AromaticContact CE1-CD2 3.48Å; F457-W504 HydrophobicContact CE1-CD2 3.48Å; F457-W504 VanDerWaalsContact CE1-CD2 3.48Å; F457-W504 AromaticContact CE1-CE3 3.69Å; F457-W504 HydrophobicContact CE1-CE3 3.69Å; F457-W504 AromaticContact CE1-CG 3.45Å; F457-W504 HydrophobicContact CE1-CG 3.45Å; F457-W504 VanDerWaalsContact CE1-CG 3.45Å; F457-W504 HydrophobicContact CE2-CB 4.39Å; F457-W504 HydrophobicContact CE2-CE3 4.44Å; F457-W504 AromaticContact CG-CE3 3.94Å; F457-W504 HydrophobicContact CG-CE3 3.94Å; F457-W504 HydrophobicContact CG-CZ3 4.17Å; F457-W504 HydrophobicContact CZ-CB 3.45Å; F457-W504 VanDerWaalsContact CZ-CB 3.45Å; F457-W504 HydrophobicContact CZ-CD2 4.12Å; F457-W504 HydrophobicContact CZ-CE3 4.14Å; F457-W504 AromaticContact CZ-CG 3.88Å; F457-W504 HydrophobicContact CZ-CG 3.88Å
458	I	97.1	Very high	94.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-60.9	-41.7	178.3	-71	167.8	0	0	0	110.8	D454 L456 I463 Q648 Y678 I715	D454-I458 WeakPolarHBondContact O-CB 3.49Å; D454-I458 WeakPolarHBondContact O-CD1 3.28Å; D454-I458 VanDerWaalsContact O-CG1 3.23Å; D454-I458 WeakPolarHBondContact O-CG1 3.41Å; D454-I458 PolarHBondContact O-N 3.36Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 2.88Å; I458-I463 HydrophobicContact CG2-CD1 3.84Å; I458-I463 HydrophobicContact CG2-CG1 4.18Å; I458-I463 VanDerWaalsContact O-CB 3.28Å; I458-I463 WeakPolarHBondContact O-CB 3.16Å; I458-I463 VanDerWaalsContact O-CG1 3.24Å; I458-I463 WeakPolarHBondContact O-CG1 3.3Å; I458-I463 PolarHBondContact O-N 2.67Å; I458-Q648 VanDerWaalsContact CG2-NE2 3.33Å; I458-Y678 HydrophobicContact CD1-CD1 4.19Å; I458-Y678 HydrophobicContact CD1-CD2 3.48Å; I458-Y678 VanDerWaalsContact CD1-CD2 3.48Å; I458-Y678 HydrophobicContact CD1-CE2 3.84Å; I458-Y678 HydrophobicContact CD1-CG 3.69Å; I458-I715 HydrophobicContact CB-CD1 4.05Å; I458-I715 HydrophobicContact CD1-CD1 4.27Å; I458-I715 HydrophobicContact CG2-CD1 3.82Å
459	L	94.4	Very high	94.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.	I	π-helix	trans	-74.9	-40.8	-175.7	-73	170	0	0	0	113.6	E455 L456 F457 I463 F714 I715 I718 T719 R722	E455-L459 WeakPolarHBondContact O-CB 3.25Å; E455-L459 WeakPolarHBondContact O-CD1 3.44Å; E455-L459 WeakPolarHBondContact O-CG 3.41Å; E455-L459 PolarHBondContact O-N 3Å; E455-L459 VanDerWaalsContact O-N 3.15Å; L456-L459 PolarHBondContact O-N 2.96Å; F457-L459 VanDerWaalsContact C-N 3.29Å; F457-L459 PolarHBondContact O-N 3.22Å; L459-I463 HydrophobicContact CD2-CD1 4.34Å; L459-F714 HydrophobicContact CD1-CD1 4.36Å; L459-F714 HydrophobicContact CD1-CE1 3.65Å; L459-F714 HydrophobicContact CD1-CZ 4.14Å; L459-I715 HydrophobicContact CD1-CB 4.41Å; L459-I715 HydrophobicContact CD1-CG1 4.05Å; L459-I715 HydrophobicContact CD2-CG1 3.77Å; L459-I715 HydrophobicContact CG-CD1 4.39Å; L459-I715 HydrophobicContact CG-CG1 3.79Å; L459-I718 HydrophobicContact CD1-CB 4.23Å; L459-I718 HydrophobicContact CD1-CG1 4.42Å; L459-I718 HydrophobicContact CD1-CG2 4.13Å; L459-I718 HydrophobicContact CD2-CB 4Å; L459-I718 HydrophobicContact CD2-CG2 3.72Å; L459-I718 HydrophobicContact CG-CG2 4.5Å; L459-T719 WeakPolarHBondContact CD2-OG1 3.22Å; L459-R722 PolarHBondContact O-NH1 3.3Å; L459-R722 PolarHBondContact O-NH2 3.29Å
460	D	94.5	Very high	94.3	Very high	44 Å²	44	23.9 Å²	23.9	24%	0.235	12%	0.116	C	C	.	.	I	π-helix	trans	-103.1	-26.5	-164.2	-61.3	-21.5	0	0	0	111.4	L456 Q464 R722 R770	L456-D460 WeakPolarHBondContact O-CB 3.34Å; L456-D460 PolarHBondContact O-N 3.22Å; D460-Q464 WeakPolarHBondContact O-CB 3.31Å; D460-Q464 VanDerWaalsContact O-CD 3.26Å; D460-Q464 PolarHBondContact O-OE1 3.11Å; D460-Q464 VanDerWaalsContact O-OE1 3.08Å; D460-R722 IonicContact OD1-NH2 2.89Å; D460-R722 PolarHBondContact OD1-NH2 3.47Å; D460-R770 IonicContact OD2-NH1 3.82Å
461	E	97.9	Very high	94.2	Very high	21 Å²	21	21.8 Å²	21.8	10%	0.098	11%	0.112	C	C	.	.	I	π-helix	trans	-105.3	-63.2	172.3	-51.8	-48.4	144.3	0	0	112.8	T437 Y441 F457 Q464 V465 S497	T437-E461 HydrophobicContact CG2-CG 4.07Å; Y441-E461 HydrophobicContact CE2-CG 3.83Å; Y441-E461 WeakPolarHBondContact OH-CG 3.48Å; Y441-E461 PolarHBondContact OH-OE1 3.32Å; F457-E461 HydrophobicContact CD2-CB 4.26Å; F457-E461 HydrophobicContact CD2-CG 3.96Å; F457-E461 HydrophobicContact CE2-CB 4.09Å; F457-E461 HydrophobicContact CE2-CG 3.99Å; F457-E461 HydrophobicContact CZ-CB 4.22Å; F457-E461 WeakPolarHBondContact O-CA 3.2Å; F457-E461 WeakPolarHBondContact O-CB 3.38Å; F457-E461 PolarHBondContact O-N 3.28Å; E461-Q464 WeakPolarHBondContact O-CB 3.22Å; E461-Q464 PolarHBondContact O-N 3.34Å; E461-V465 WeakPolarHBondContact O-CG1 3.33Å; E461-V465 PolarHBondContact O-N 3.37Å; E461-S497 VanDerWaalsContact OE2-CA 3.26Å; E461-S497 WeakPolarHBondContact OE2-CA 3.31Å; E461-S497 WeakPolarHBondContact OE2-CB 3.2Å; E461-S497 PolarHBondContact OE2-OG 2.76Å
462	L	98.3	Very high	94	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.125	C	C	.	.	I	π-helix	trans	-67.3	-53.9	-167.3	-179.9	61.3	0	0	0	112.5	F457 Q464 V465 L466 Q648 L651	F457-L462 HydrophobicContact CE1-CB 4.45Å; F457-L462 PolarHBondContact O-N 3.37Å; F457-L462 VanDerWaalsContact O-N 3.11Å; L462-Q464 PolarHBondContact O-N 2.91Å; L462-V465 WeakPolarHBondContact O-CG1 3.36Å; L462-V465 PolarHBondContact O-N 3.49Å; L462-L466 HydrophobicContact CD1-CD1 4.24Å; L462-L466 HydrophobicContact CD1-CG 4.35Å; L462-L466 HydrophobicContact CG-CD1 4.13Å; L462-L466 WeakPolarHBondContact O-CB 3.29Å; L462-L466 VanDerWaalsContact O-CG 3.24Å; L462-L466 WeakPolarHBondContact O-CG 3.48Å; L462-L466 PolarHBondContact O-N 2.91Å; L462-Q648 HydrophobicContact CD2-CB 3.69Å; L462-Q648 VanDerWaalsContact CD2-O 3.23Å; L462-Q648 WeakPolarHBondContact CD2-O 3.35Å; L462-L651 HydrophobicContact CD1-CB 4.46Å; L462-L651 HydrophobicContact CD1-CD1 3.61Å
463	I	97.1	Very high	93.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-30.6	177.3	-71.6	172.4	0	0	0	110.4	I458 L459 R467 T681 T719	I458-I463 HydrophobicContact CG2-CD1 3.84Å; I458-I463 HydrophobicContact CG2-CG1 4.18Å; I458-I463 VanDerWaalsContact O-CB 3.28Å; I458-I463 WeakPolarHBondContact O-CB 3.16Å; I458-I463 VanDerWaalsContact O-CG1 3.24Å; I458-I463 WeakPolarHBondContact O-CG1 3.3Å; I458-I463 PolarHBondContact O-N 2.67Å; L459-I463 HydrophobicContact CD2-CD1 4.34Å; I463-R467 WeakPolarHBondContact O-CD 3.4Å; I463-R467 WeakPolarHBondContact O-CG 3.26Å; I463-R467 PolarHBondContact O-N 3.05Å; I463-T681 HydrophobicContact CD1-CG2 3.83Å; I463-T719 HydrophobicContact CD1-CG2 4.3Å
464	Q	95.8	Very high	93.7	Very high	64 Å²	64	30.6 Å²	30.6	30%	0.299	15%	0.153	S	C	.	.	H	α-helix	trans	-64.4	-51.8	176.7	176.8	148.6	-35.2	0	0	111.4	D460 E461 L462 R467 S468 L493	D460-Q464 WeakPolarHBondContact O-CB 3.31Å; D460-Q464 VanDerWaalsContact O-CD 3.26Å; D460-Q464 PolarHBondContact O-OE1 3.11Å; D460-Q464 VanDerWaalsContact O-OE1 3.08Å; E461-Q464 WeakPolarHBondContact O-CB 3.22Å; E461-Q464 PolarHBondContact O-N 3.34Å; L462-Q464 PolarHBondContact O-N 2.91Å; Q464-R467 WeakPolarHBondContact O-CB 3.19Å; Q464-R467 PolarHBondContact O-N 2.72Å; Q464-S468 PolarHBondContact O-N 3.38Å; Q464-S468 PolarHBondContact O-OG 2.84Å; Q464-L493 HydrophobicContact CG-CD1 4.31Å; Q464-L493 HydrophobicContact CG-CD2 4.4Å
465	V	97.2	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-39.9	177	65.9	0	0	0	0	112.1	E461 L462 R467 S468 D469 K498 L651	E461-V465 WeakPolarHBondContact O-CG1 3.33Å; E461-V465 PolarHBondContact O-N 3.37Å; L462-V465 WeakPolarHBondContact O-CG1 3.36Å; L462-V465 PolarHBondContact O-N 3.49Å; V465-R467 PolarHBondContact O-N 2.71Å; V465-S468 WeakPolarHBondContact CA-OG 3.07Å; V465-S468 PolarHBondContact O-N 2.75Å; V465-S468 PolarHBondContact O-OG 3.22Å; V465-D469 HydrophobicContact CG2-CB 3.89Å; V465-D469 WeakPolarHBondContact O-CB 3.39Å; V465-D469 PolarHBondContact O-N 3.15Å; V465-K498 HydrophobicContact CG2-CB 3.7Å; V465-K498 HydrophobicContact CG2-CG 3.99Å; V465-L651 HydrophobicContact CG1-CD1 3.42Å; V465-L651 VanDerWaalsContact CG1-CD1 3.42Å
466	L	97.3	Very high	93.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-15.9	174	-72.1	175.2	0	0	0	112.5	L462 Y566 L651 R653	L462-L466 HydrophobicContact CD1-CD1 4.24Å; L462-L466 HydrophobicContact CD1-CG 4.35Å; L462-L466 HydrophobicContact CG-CD1 4.13Å; L462-L466 WeakPolarHBondContact O-CB 3.29Å; L462-L466 VanDerWaalsContact O-CG 3.24Å; L462-L466 WeakPolarHBondContact O-CG 3.48Å; L462-L466 PolarHBondContact O-N 2.91Å; L466-Y566 HydrophobicContact CD2-CD1 4.21Å; L466-Y566 HydrophobicContact CD2-CD2 3.81Å; L466-Y566 HydrophobicContact CD2-CE1 3.95Å; L466-Y566 HydrophobicContact CD2-CE2 3.55Å; L466-Y566 HydrophobicContact CD2-CG 4.14Å; L466-Y566 PolarHBondContact O-OH 3.34Å; L466-L651 HydrophobicContact CD2-CD1 3.9Å; L466-L651 HydrophobicContact CG-CD1 4.15Å; L466-R653 HydrophobicContact CD2-CG 4.27Å; L466-R653 PolarHBondContact O-NH2 2.73Å
467	R	92.2	Very high	93.9	Very high	59 Å²	59	30.3 Å²	30.3	22%	0.223	15%	0.151	C	C	.	.	H	α-helix	trans	-97.6	-37.3	175.4	-71.2	161	69.6	-148	3.3	112.3	I463 Q464 V465 R920	I463-R467 WeakPolarHBondContact O-CD 3.4Å; I463-R467 WeakPolarHBondContact O-CG 3.26Å; I463-R467 PolarHBondContact O-N 3.05Å; Q464-R467 WeakPolarHBondContact O-CB 3.19Å; Q464-R467 PolarHBondContact O-N 2.72Å; V465-R467 PolarHBondContact O-N 2.71Å; R467-R920 VanDerWaalsContact CZ-NH1 3.29Å; R467-R920 VanDerWaalsContact NE-NH1 3.13Å
468	S	90.8	Very high	93.9	Very high	44 Å²	44	31.2 Å²	31.2	31%	0.308	16%	0.156	S	C	.	.	H	α-helix	trans	-86	-39	-174.5	55.4	0	0	0	0	113.3	Q464 V465 T470	Q464-S468 PolarHBondContact O-N 3.38Å; Q464-S468 PolarHBondContact O-OG 2.84Å; V465-S468 WeakPolarHBondContact CA-OG 3.07Å; V465-S468 PolarHBondContact O-N 2.75Å; V465-S468 PolarHBondContact O-OG 3.22Å; S468-T470 PolarHBondContact O-N 2.99Å
469	D	95	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	46.6	-173.5	-166.8	15	0	0	0	113	V465 S474 I494 K498 N565 Y566	V465-D469 HydrophobicContact CG2-CB 3.89Å; V465-D469 WeakPolarHBondContact O-CB 3.39Å; V465-D469 PolarHBondContact O-N 3.15Å; D469-S474 WeakPolarHBondContact OD1-CB 3.19Å; D469-S474 PolarHBondContact OD1-OG 2.65Å; D469-I494 HydrophobicContact CB-CD1 3.69Å; D469-K498 WeakPolarHBondContact OD2-CD 3.36Å; D469-K498 WeakPolarHBondContact OD2-CE 3.49Å; D469-K498 IonicContact OD2-NZ 3.82Å; D469-K498 PolarHBondContact OD2-NZ 2.8Å; D469-N565 VanDerWaalsContact CG-CA 3.44Å; D469-N565 WeakPolarHBondContact O-CA 3.22Å; D469-N565 PolarHBondContact O-ND2 3.21Å; D469-N565 WeakPolarHBondContact OD1-CA 3.32Å; D469-N565 PolarHBondContact OD1-N 3.29Å; D469-N565 PolarHBondContact OD1-ND2 3.11Å; D469-N565 WeakPolarHBondContact OD2-CA 3.42Å; D469-N565 PolarHBondContact OD2-N 2.75Å; D469-Y566 HydrophobicContact CB-CD1 4.26Å; D469-Y566 HydrophobicContact CB-CE1 4.36Å; D469-Y566 WeakPolarHBondContact O-CE1 3.49Å
470	T	92.9	Very high	93.2	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-2.8	-178.5	60.3	0	0	0	0	113	S468 Y566 Y586 L587 Q588	S468-T470 PolarHBondContact O-N 2.99Å; T470-Y566 HydrophobicContact CG2-CE1 4.09Å; T470-Y566 WeakPolarHBondContact CG2-OH 3.45Å; T470-Y586 HydrophobicContact CG2-CD1 3.81Å; T470-Y586 HydrophobicContact CG2-CE1 3.88Å; T470-L587 CarbonylContact O-C 3.53Å; T470-L587 VanDerWaalsContact O-CA 3.3Å; T470-L587 WeakPolarHBondContact O-CA 3.36Å; T470-L587 WeakPolarHBondContact O-CD2 3.26Å; T470-Q588 PolarHBondContact O-N 3.47Å
471	S	87.6	Confident	92.8	Very high	46 Å²	46	35.8 Å²	35.8	32%	0.322	18%	0.184	S	C	.	.			trans	-83.7	143.7	-179.1	179	0	0	0	0	112.1	K473 S474 N565	S471-K473 PolarHBondContact O-N 3.39Å; S471-K473 PolarHBondContact OG-N 2.88Å; S471-S474 WeakPolarHBondContact O-CB 3.33Å; S471-S474 PolarHBondContact O-N 3.4Å; S471-S474 VanDerWaalsContact O-N 3.08Å; S471-N565 PolarHBondContact O-ND2 3.14Å
472	K	86.2	Confident	92.1	Very high	72 Å²	72	38.1 Å²	38.1	31%	0.313	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	166.4	-74.7	-171.2	166.6	-173.9	0	113.5	S474 L587 C590 S594 E597	K472-S474 VanDerWaalsContact C-N 3.33Å; K472-L587 HydrophobicContact CD-CD1 4.33Å; K472-L587 VanDerWaalsContact CE-CD1 3.48Å; K472-L587 HydrophobicContact CG-CD1 3.82Å; K472-L587 HydrophobicContact CG-CD2 4.11Å; K472-C590 WeakPolarHBondContact CE-SG 3.13Å; K472-S594 PolarHBondContact NZ-OG 2.87Å; K472-E597 WeakPolarHBondContact CE-OE1 3.3Å; K472-E597 IonicContact NZ-OE1 2.73Å; K472-E597 PolarHBondContact NZ-OE1 2.99Å
473	K	85.4	Confident	91.3	Very high	192 Å²	192	40.3 Å²	40.3	84%	0.835	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	10.4	174.6	-58.9	-174.3	178.7	-175.5	0	112.7	S471	S471-K473 PolarHBondContact O-N 3.39Å; S471-K473 PolarHBondContact OG-N 2.88Å
474	S	90.8	Very high	90.6	Very high	24 Å²	24	41.7 Å²	41.7	17%	0.168	22%	0.219	C	C	.	.			trans	-67.7	179.8	171.9	-163.9	0	0	0	0	110.6	D469 S471 K472	D469-S474 WeakPolarHBondContact OD1-CB 3.19Å; D469-S474 PolarHBondContact OD1-OG 2.65Å; S471-S474 WeakPolarHBondContact O-CB 3.33Å; S471-S474 PolarHBondContact O-N 3.4Å; S471-S474 VanDerWaalsContact O-N 3.08Å; K472-S474 VanDerWaalsContact C-N 3.33Å
475	R	91.7	Very high	90	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	22%	0.223	C	C	.	.			trans	-133.1	156.6	-179.9	61.4	172.6	-169	87	-11.4	111.6	V477 F479 M490 D492 I494 T495	R475-V477 PolarHBondContact NH1-O 3.25Å; R475-F479 HydrophobicContact CG-CE1 4.47Å; R475-F479 VanDerWaalsContact CZ-CE1 3.48Å; R475-M490 PolarHBondContact NH2-O 3.08Å; R475-D492 IonicContact CZ-OD1 3.86Å; R475-D492 VanDerWaalsContact CZ-OD1 3.29Å; R475-D492 IonicContact CZ-OD2 2.75Å; R475-D492 IonicContact NE-OD1 2.75Å; R475-D492 PolarHBondContact NE-OD1 2.97Å; R475-D492 IonicContact NE-OD2 3.37Å; R475-D492 PolarHBondContact NE-OD2 3.36Å; R475-D492 VanDerWaalsContact NH2-CG 3.32Å; R475-D492 IonicContact NH2-OD1 3.82Å; R475-D492 PolarHBondContact NH2-OD1 3.47Å; R475-D492 IonicContact NH2-OD2 2.71Å; R475-I494 HydrophobicContact CG-CB 4.42Å; R475-I494 HydrophobicContact CG-CG1 4.23Å; R475-I494 HydrophobicContact CG-CG2 4.36Å; R475-T495 PolarHBondContact NH2-OG1 3.42Å
476	P	95.6	Very high	89.6	Confident	25 Å²	25	45.1 Å²	45.1	16%	0.162	24%	0.24	C	C	.	.			trans	-60.4	163.2	164	-21.9	34.7	0	0	0	112.5	I478 F479 T561	P476-I478 WeakPolarHBondContact CB-O 3.25Å; P476-F479 HydrophobicContact CB-CB 4.49Å; P476-T561 WeakPolarHBondContact CB-O 3.37Å
477	V	97.2	Very high	89.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-65.3	-48.5	171.1	178.2	0	0	0	0	109.5	W430 R475 I494 K498 L502 T561	W430-V477 HydrophobicContact CB-CG1 3.48Å; W430-V477 VanDerWaalsContact CB-CG1 3.48Å; W430-V477 HydrophobicContact CD2-CG1 3.87Å; W430-V477 HydrophobicContact CG-CG1 3.35Å; R475-V477 PolarHBondContact NH1-O 3.25Å; V477-I494 HydrophobicContact CG2-CG2 4.14Å; V477-K498 HydrophobicContact CG2-CB 4.28Å; V477-K498 HydrophobicContact CG2-CD 3.64Å; V477-K498 HydrophobicContact CG2-CG 3.98Å; V477-L502 HydrophobicContact CG2-CD1 3.97Å; V477-T561 PolarHBondContact N-O 2.88Å
478	I	96.2	Very high	89	Confident	21 Å²	21	46 Å²	46	11%	0.108	25%	0.245	C	C	.	.	S	Bend	trans	-99.4	114	175.9	-59.1	171.6	0	0	0	108.4	W430 P476 E533 T561	W430-I478 HydrophobicContact CZ2-CD1 4.49Å; P476-I478 WeakPolarHBondContact CB-O 3.25Å; I478-E533 HydrophobicContact CD1-CB 3.78Å; I478-E533 HydrophobicContact CD1-CG 3.66Å; I478-T561 HydrophobicContact CD1-CG2 4.44Å; I478-T561 PolarHBondContact N-O 3.25Å
479	F	89.4	Confident	88.9	Confident	39 Å²	39	49.8 Å²	49.8	17%	0.171	25%	0.253	C	S	.	.			trans	-148.8	149.4	176	79.5	-79	0	0	0	111.1	D427 R475 P476 A481 M490	D427-F479 WeakPolarHBondContact CA-O 3.37Å; D427-F479 VanDerWaalsContact CB-O 3.26Å; D427-F479 WeakPolarHBondContact CB-O 3.43Å; R475-F479 HydrophobicContact CG-CE1 4.47Å; R475-F479 VanDerWaalsContact CZ-CE1 3.48Å; P476-F479 HydrophobicContact CB-CB 4.49Å; F479-A481 HydrophobicContact CE2-CB 4.48Å; F479-A481 PolarHBondContact O-N 2.91Å; F479-M490 HydrophobicContact CD1-CE 3.92Å; F479-M490 HydrophobicContact CE1-CB 4.43Å; F479-M490 HydrophobicContact CE1-CE 3.5Å; F479-M490 HydrophobicContact CE1-CG 3.59Å; F479-M490 HydrophobicContact CE1-SD 3.87Å; F479-M490 HydrophobicContact CZ-CE 4.24Å; F479-M490 HydrophobicContact CZ-CG 3.47Å; F479-M490 VanDerWaalsContact CZ-CG 3.47Å; F479-M490 HydrophobicContact CZ-SD 3.98Å
480	P	88	Confident	88.7	Confident	103 Å²	103	49.8 Å²	49.8	67%	0.669	25%	0.253	S	S	*	.			trans	-63.2	134	-179.6	-22.9	33.8	0	0	0	113
481	A	86.1	Confident	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.			trans	-136.6	110.3	172.9	0	0	0	0	0	109.8	W425 F479 Q486 I487 M490	W425-A481 PolarHBondContact NE1-O 3.46Å; F479-A481 HydrophobicContact CE2-CB 4.48Å; F479-A481 PolarHBondContact O-N 2.91Å; A481-Q486 HydrophobicContact CB-CB 3.89Å; A481-I487 HydrophobicContact CB-CG1 3.98Å; A481-M490 HydrophobicContact CB-CG 4.2Å; A481-M490 HydrophobicContact CB-SD 3.43Å; A481-M490 WeakPolarHBondContact CB-SD 3.48Å
482	N	82.7	Confident	88.9	Confident	69 Å²	69	52.6 Å²	52.6	37%	0.369	26%	0.261	S	S	.	.			trans	-108.1	-24.2	-174.3	-65.2	-6.5	0	0	0	112.5	F98	F98-N482 HydrophobicContact CD2-CB 4.47Å
483	T	82.4	Confident	89.3	Confident	49 Å²	49	52.5 Å²	52.5	30%	0.301	26%	0.263	S	S	.	.	S	Bend	trans	-104.1	152.5	-179.7	62.1	0	0	0	0	111.4	F98 T485 Q486 I487	F98-T483 HydrophobicContact CD2-CG2 4.26Å; F98-T483 HydrophobicContact CE2-CG2 4.01Å; T483-T485 PolarHBondContact O-N 3.26Å; T483-T485 VanDerWaalsContact O-N 3.16Å; T483-Q486 WeakPolarHBondContact O-CB 3.27Å; T483-Q486 PolarHBondContact O-N 3.02Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.41Å; T483-Q486 VanDerWaalsContact OG1-CD 3.25Å; T483-Q486 VanDerWaalsContact OG1-CG 3.23Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.45Å; T483-Q486 PolarHBondContact OG1-N 2.94Å; T483-Q486 PolarHBondContact OG1-OE1 3.28Å; T483-I487 WeakPolarHBondContact O-CG1 3.22Å; T483-I487 PolarHBondContact O-N 3.39Å
484	T	81.9	Confident	89.9	Confident	30 Å²	30	43.8 Å²	43.8	18%	0.184	23%	0.226	C	C	.	.	H	α-helix	trans	-49.3	-42.7	173.1	-56.8	0	0	0	0	112	N242 I487 K488	N242-T484 PolarHBondContact ND2-OG1 2.98Å; N242-T484 WeakPolarHBondContact OD1-CG2 3.33Å; T484-I487 PolarHBondContact O-N 3.43Å; T484-K488 WeakPolarHBondContact O-CG 2.91Å; T484-K488 PolarHBondContact O-N 2.95Å
485	T	84.1	Confident	90.2	Very high	63 Å²	63	42.6 Å²	42.6	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-39	178.5	-57.7	0	0	0	0	112.9	T483 R489	T483-T485 PolarHBondContact O-N 3.26Å; T483-T485 VanDerWaalsContact O-N 3.16Å; T485-R489 WeakPolarHBondContact O-CG 3.29Å; T485-R489 PolarHBondContact O-N 2.9Å
486	Q	87.3	Confident	90.5	Very high	73 Å²	73	44.2 Å²	44.2	34%	0.341	22%	0.224	S	C	.	.	H	α-helix	trans	-67.5	-42.8	175	-74.1	163.3	-27.2	0	0	111.1	A481 T483 R489 M490	A481-Q486 HydrophobicContact CB-CB 3.89Å; T483-Q486 WeakPolarHBondContact O-CB 3.27Å; T483-Q486 PolarHBondContact O-N 3.02Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.41Å; T483-Q486 VanDerWaalsContact OG1-CD 3.25Å; T483-Q486 VanDerWaalsContact OG1-CG 3.23Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.45Å; T483-Q486 PolarHBondContact OG1-N 2.94Å; T483-Q486 PolarHBondContact OG1-OE1 3.28Å; Q486-R489 WeakPolarHBondContact O-CB 3.07Å; Q486-R489 PolarHBondContact O-N 3.3Å; Q486-R489 VanDerWaalsContact O-N 3.16Å; Q486-M490 WeakPolarHBondContact O-CG 3.04Å; Q486-M490 PolarHBondContact O-N 3.32Å
487	I	89.6	Confident	90.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-48.1	177.5	-64.7	163.1	0	0	0	110.3	A241 W425 W426 A481 T483 T484 R489 M490 F491	A241-I487 HydrophobicContact CB-CG2 3.36Å; W425-I487 HydrophobicContact CZ2-CD1 4.19Å; W426-I487 HydrophobicContact CB-CG1 3.98Å; W426-I487 HydrophobicContact CB-CG2 4.01Å; W426-I487 VanDerWaalsContact CD1-CD1 3.45Å; W426-I487 HydrophobicContact CD2-CG2 3.68Å; W426-I487 HydrophobicContact CE3-CG2 4.08Å; W426-I487 HydrophobicContact CG-CB 4.4Å; W426-I487 HydrophobicContact CG-CD1 4.07Å; W426-I487 HydrophobicContact CG-CG1 3.92Å; W426-I487 HydrophobicContact CG-CG2 3.59Å; A481-I487 HydrophobicContact CB-CG1 3.98Å; T483-I487 WeakPolarHBondContact O-CG1 3.22Å; T483-I487 PolarHBondContact O-N 3.39Å; T484-I487 PolarHBondContact O-N 3.43Å; I487-R489 PolarHBondContact O-N 2.94Å; I487-M490 WeakPolarHBondContact O-CB 3.25Å; I487-M490 WeakPolarHBondContact O-CG 3.32Å; I487-M490 PolarHBondContact O-N 3.33Å; I487-F491 HydrophobicContact CG2-CE2 4.17Å; I487-F491 WeakPolarHBondContact O-CD2 3.22Å
488	K	88.8	Confident	90.7	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.33	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-35.5	175.8	-70.9	-169.9	-156.7	-158.2	0	112.7	E218 Y243 T484 M490 F491	E218-K488 IonicContact OE1-NZ 3.86Å; E218-K488 PolarHBondContact OE1-NZ 3.4Å; E218-K488 IonicContact OE2-NZ 2.68Å; Y243-K488 WeakPolarHBondContact OH-CD 3.46Å; Y243-K488 WeakPolarHBondContact OH-CE 3.49Å; Y243-K488 PolarHBondContact OH-NZ 3.03Å; T484-K488 WeakPolarHBondContact O-CG 2.91Å; T484-K488 PolarHBondContact O-N 2.95Å; K488-M490 PolarHBondContact O-N 3.23Å; K488-F491 PolarHBondContact O-N 3.06Å
489	R	87.9	Confident	90.8	Very high	124 Å²	124	42.1 Å²	42.1	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-15.7	176.7	-71.6	174.5	-173.8	172.5	6.2	113.1	V60 T485 Q486 I487 F491	V60-R489 PolarHBondContact O-NH2 3.04Å; T485-R489 WeakPolarHBondContact O-CG 3.29Å; T485-R489 PolarHBondContact O-N 2.9Å; Q486-R489 WeakPolarHBondContact O-CB 3.07Å; Q486-R489 PolarHBondContact O-N 3.3Å; Q486-R489 VanDerWaalsContact O-N 3.16Å; I487-R489 PolarHBondContact O-N 2.94Å; R489-F491 VanDerWaalsContact C-N 3.27Å
490	M	91.1	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-21.6	175.6	-57.6	-158.8	56.9	0	0	112.9	W426 L429 R475 F479 A481 Q486 I487 K488 D492 T495	W426-M490 VanDerWaalsContact C-SD 3.59Å; W426-M490 HydrophobicContact CB-SD 4.1Å; W426-M490 WeakPolarHBondContact O-CE 3.32Å; L429-M490 HydrophobicContact CB-CE 4.33Å; L429-M490 HydrophobicContact CD2-CB 3.83Å; R475-M490 PolarHBondContact NH2-O 3.08Å; F479-M490 HydrophobicContact CD1-CE 3.92Å; F479-M490 HydrophobicContact CE1-CB 4.43Å; F479-M490 HydrophobicContact CE1-CE 3.5Å; F479-M490 HydrophobicContact CE1-CG 3.59Å; F479-M490 HydrophobicContact CE1-SD 3.87Å; F479-M490 HydrophobicContact CZ-CE 4.24Å; F479-M490 HydrophobicContact CZ-CG 3.47Å; F479-M490 VanDerWaalsContact CZ-CG 3.47Å; F479-M490 HydrophobicContact CZ-SD 3.98Å; A481-M490 HydrophobicContact CB-CG 4.2Å; A481-M490 HydrophobicContact CB-SD 3.43Å; A481-M490 WeakPolarHBondContact CB-SD 3.48Å; Q486-M490 WeakPolarHBondContact O-CG 3.04Å; Q486-M490 PolarHBondContact O-N 3.32Å; I487-M490 WeakPolarHBondContact O-CB 3.25Å; I487-M490 WeakPolarHBondContact O-CG 3.32Å; I487-M490 PolarHBondContact O-N 3.33Å; K488-M490 PolarHBondContact O-N 3.23Å; M490-D492 PolarHBondContact O-N 2.99Å; M490-T495 WeakPolarHBondContact O-CB 3.44Å; M490-T495 PolarHBondContact O-OG1 3.38Å
491	F	91.7	Very high	91.7	Very high	58 Å²	58	35.4 Å²	35.4	25%	0.254	17%	0.173	S	C	.	.	S	Bend	trans	-80.1	57.3	176.4	-63	-92.6	0	0	0	110.5	E240 A241 W426 L429 I487 K488 R489 Y496	E240-F491 VanDerWaalsContact CD-CE1 3.4Å; E240-F491 HydrophobicContact CG-CE1 4.17Å; E240-F491 HydrophobicContact CG-CZ 3.83Å; E240-F491 WeakPolarHBondContact OE1-CE1 3.32Å; E240-F491 WeakPolarHBondContact OE1-CZ 3.42Å; E240-F491 WeakPolarHBondContact OE2-CE1 3.48Å; A241-F491 HydrophobicContact CB-CE2 3.96Å; A241-F491 HydrophobicContact CB-CZ 4.11Å; W426-F491 HydrophobicContact CE3-CZ 4.16Å; W426-F491 AromaticContact CZ3-CZ 3.84Å; W426-F491 HydrophobicContact CZ3-CZ 3.84Å; L429-F491 HydrophobicContact CD1-CE1 4.03Å; L429-F491 HydrophobicContact CD1-CZ 4.1Å; L429-F491 HydrophobicContact CD2-CD1 3.84Å; L429-F491 HydrophobicContact CD2-CD2 4.05Å; L429-F491 HydrophobicContact CD2-CE1 3.62Å; L429-F491 HydrophobicContact CD2-CE2 3.83Å; L429-F491 HydrophobicContact CD2-CG 4.05Å; L429-F491 HydrophobicContact CD2-CZ 3.62Å; L429-F491 HydrophobicContact CG-CE1 4.42Å; I487-F491 HydrophobicContact CG2-CE2 4.17Å; I487-F491 WeakPolarHBondContact O-CD2 3.22Å; K488-F491 PolarHBondContact O-N 3.06Å; R489-F491 VanDerWaalsContact C-N 3.27Å; F491-Y496 HydrophobicContact CB-CE2 4.49Å
492	D	92.9	Very high	92.3	Very high	56 Å²	56	35.4 Å²	35.4	30%	0.299	17%	0.173	S	C	.	.	S	Bend	trans	-125.1	173.3	179.9	75.8	16.8	0	0	0	111.7	R475 M490 I494 T495 Y496	R475-D492 IonicContact CZ-OD1 3.86Å; R475-D492 VanDerWaalsContact CZ-OD1 3.29Å; R475-D492 IonicContact CZ-OD2 2.75Å; R475-D492 IonicContact NE-OD1 2.75Å; R475-D492 PolarHBondContact NE-OD1 2.97Å; R475-D492 IonicContact NE-OD2 3.37Å; R475-D492 PolarHBondContact NE-OD2 3.36Å; R475-D492 VanDerWaalsContact NH2-CG 3.32Å; R475-D492 IonicContact NH2-OD1 3.82Å; R475-D492 PolarHBondContact NH2-OD1 3.47Å; R475-D492 IonicContact NH2-OD2 2.71Å; M490-D492 PolarHBondContact O-N 2.99Å; D492-I494 PolarHBondContact O-N 3.46Å; D492-I494 WeakPolarHBondContact OD1-CA 3.05Å; D492-I494 VanDerWaalsContact OD1-CB 3.27Å; D492-I494 WeakPolarHBondContact OD1-CB 3.46Å; D492-I494 PolarHBondContact OD1-N 3.15Å; D492-T495 PolarHBondContact O-N 2.77Å; D492-T495 PolarHBondContact OD1-N 3.32Å; D492-Y496 VanDerWaalsContact O-CD2 3.3Å; D492-Y496 WeakPolarHBondContact O-CD2 3.29Å; D492-Y496 PolarHBondContact O-N 2.69Å
493	L	94.5	Very high	93.1	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.366	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.4	-178.6	-66.5	174.8	0	0	0	115.6	Q464 S497 K498	Q464-L493 HydrophobicContact CG-CD1 4.31Å; Q464-L493 HydrophobicContact CG-CD2 4.4Å; L493-S497 WeakPolarHBondContact O-CB 3.35Å; L493-S497 PolarHBondContact O-N 3.36Å; L493-K498 PolarHBondContact O-N 3.48Å
494	I	97.3	Very high	93.8	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.046	14%	0.143	C	C	.	.	I	π-helix	trans	-74.2	-42.9	175.6	-56.6	-57.8	0	0	0	109.8	D469 R475 V477 D492 K498 G499	D469-I494 HydrophobicContact CB-CD1 3.69Å; R475-I494 HydrophobicContact CG-CB 4.42Å; R475-I494 HydrophobicContact CG-CG1 4.23Å; R475-I494 HydrophobicContact CG-CG2 4.36Å; V477-I494 HydrophobicContact CG2-CG2 4.14Å; D492-I494 PolarHBondContact O-N 3.46Å; D492-I494 WeakPolarHBondContact OD1-CA 3.05Å; D492-I494 VanDerWaalsContact OD1-CB 3.27Å; D492-I494 WeakPolarHBondContact OD1-CB 3.46Å; D492-I494 PolarHBondContact OD1-N 3.15Å; I494-K498 HydrophobicContact CD1-CD 4.49Å; I494-K498 HydrophobicContact CG2-CB 4.19Å; I494-K498 HydrophobicContact CG2-CD 3.93Å; I494-K498 WeakPolarHBondContact O-CB 3.37Å; I494-K498 PolarHBondContact O-N 3.05Å; I494-G499 PolarHBondContact O-N 2.73Å
495	T	97.5	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-64.8	-47.5	177.3	-74	0	0	0	0	111.6	L429 W430 E433 R475 M490 D492	L429-T495 HydrophobicContact CB-CG2 4.32Å; L429-T495 HydrophobicContact CD2-CG2 3.97Å; L429-T495 HydrophobicContact CG-CG2 3.83Å; W430-T495 HydrophobicContact CB-CG2 4.48Å; E433-T495 HydrophobicContact CB-CG2 3.55Å; E433-T495 HydrophobicContact CG-CG2 3.78Å; R475-T495 PolarHBondContact NH2-OG1 3.42Å; M490-T495 WeakPolarHBondContact O-CB 3.44Å; M490-T495 PolarHBondContact O-OG1 3.38Å; D492-T495 PolarHBondContact O-N 2.77Å; D492-T495 PolarHBondContact OD1-N 3.32Å
496	Y	98	Very high	95.3	Very high	60 Å²	60	26 Å²	26	24%	0.235	12%	0.116	C	C	.	.	I	π-helix	trans	-75.1	-78.5	-179.2	-65.4	-93	0	0	0	111.4	E433 T437 F491 D492 K498 G499 A500	E433-Y496 HydrophobicContact CB-CD1 3.96Å; E433-Y496 HydrophobicContact CB-CE1 3.74Å; E433-Y496 HydrophobicContact CB-CG 4.41Å; E433-Y496 HydrophobicContact CG-CE1 3.95Å; E433-Y496 HydrophobicContact CG-CE2 4.41Å; E433-Y496 WeakPolarHBondContact OE2-CE1 3.42Å; E433-Y496 PolarHBondContact OE2-OH 3.41Å; T437-Y496 WeakPolarHBondContact OG1-CD1 3.48Å; F491-Y496 HydrophobicContact CB-CE2 4.49Å; D492-Y496 VanDerWaalsContact O-CD2 3.3Å; D492-Y496 WeakPolarHBondContact O-CD2 3.29Å; D492-Y496 PolarHBondContact O-N 2.69Å; Y496-K498 PolarHBondContact O-N 3.43Å; Y496-G499 PolarHBondContact O-N 3.11Å; Y496-A500 VanDerWaalsContact O-CB 3.27Å; Y496-A500 WeakPolarHBondContact O-CB 3.36Å; Y496-A500 PolarHBondContact O-N 3.18Å
497	S	98.4	Very high	95.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	10%	0.101	C	C	.	.	I	π-helix	trans	-67.5	-39.4	-169.4	-51.2	0	0	0	0	113.8	E461 L493 S501	E461-S497 VanDerWaalsContact OE2-CA 3.26Å; E461-S497 WeakPolarHBondContact OE2-CA 3.31Å; E461-S497 WeakPolarHBondContact OE2-CB 3.2Å; E461-S497 PolarHBondContact OE2-OG 2.76Å; L493-S497 WeakPolarHBondContact O-CB 3.35Å; L493-S497 PolarHBondContact O-N 3.36Å; S497-S501 VanDerWaalsContact O-CB 3.23Å; S497-S501 WeakPolarHBondContact O-CB 3.43Å; S497-S501 PolarHBondContact O-N 3.31Å; S497-S501 PolarHBondContact O-OG 2.93Å
498	K	98.5	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-69.9	-47.6	175.6	-162	178.6	178.2	168.4	0	110.7	V465 D469 V477 L493 I494 Y496 A500 S501 L502 Q563 N565 L651	V465-K498 HydrophobicContact CG2-CB 3.7Å; V465-K498 HydrophobicContact CG2-CG 3.99Å; D469-K498 WeakPolarHBondContact OD2-CD 3.36Å; D469-K498 WeakPolarHBondContact OD2-CE 3.49Å; D469-K498 IonicContact OD2-NZ 3.82Å; D469-K498 PolarHBondContact OD2-NZ 2.8Å; V477-K498 HydrophobicContact CG2-CB 4.28Å; V477-K498 HydrophobicContact CG2-CD 3.64Å; V477-K498 HydrophobicContact CG2-CG 3.98Å; L493-K498 PolarHBondContact O-N 3.48Å; I494-K498 HydrophobicContact CD1-CD 4.49Å; I494-K498 HydrophobicContact CG2-CB 4.19Å; I494-K498 HydrophobicContact CG2-CD 3.93Å; I494-K498 WeakPolarHBondContact O-CB 3.37Å; I494-K498 PolarHBondContact O-N 3.05Å; Y496-K498 PolarHBondContact O-N 3.43Å; K498-A500 VanDerWaalsContact C-N 3.33Å; K498-A500 PolarHBondContact O-N 2.55Å; K498-S501 PolarHBondContact O-N 2.77Å; K498-L502 WeakPolarHBondContact O-CG 3.13Å; K498-L502 PolarHBondContact O-N 3.3Å; K498-Q563 PolarHBondContact NZ-O 3.5Å; K498-N565 WeakPolarHBondContact CE-O 3.42Å; K498-N565 PolarHBondContact NZ-O 3.27Å; K498-L651 HydrophobicContact CD-CD2 4.43Å; K498-L651 HydrophobicContact CG-CD2 3.65Å
499	G	98.4	Very high	96.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-52	-51.7	175.1	0	0	0	0	0	111.8	I494 Y496 S501 L502 I503	I494-G499 PolarHBondContact O-N 2.73Å; Y496-G499 PolarHBondContact O-N 3.11Å; G499-S501 PolarHBondContact O-N 2.97Å; G499-L502 PolarHBondContact O-N 2.71Å; G499-I503 WeakPolarHBondContact O-CD1 3.43Å; G499-I503 VanDerWaalsContact O-CG1 3.3Å; G499-I503 WeakPolarHBondContact O-CG1 2.89Å; G499-I503 PolarHBondContact O-N 3.2Å
500	A	98.8	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.4	0	0	0	0	0	113	T437 F438 F457 Y496 K498 L502 I503 W504	T437-A500 HydrophobicContact CG2-CB 3.59Å; F438-A500 HydrophobicContact CB-CB 4.31Å; F457-A500 HydrophobicContact CE2-CB 4.04Å; F457-A500 HydrophobicContact CZ-CB 4.35Å; Y496-A500 VanDerWaalsContact O-CB 3.27Å; Y496-A500 WeakPolarHBondContact O-CB 3.36Å; Y496-A500 PolarHBondContact O-N 3.18Å; K498-A500 VanDerWaalsContact C-N 3.33Å; K498-A500 PolarHBondContact O-N 2.55Å; A500-L502 VanDerWaalsContact C-N 3.32Å; A500-L502 PolarHBondContact O-N 3.29Å; A500-I503 PolarHBondContact O-N 3.49Å; A500-W504 WeakPolarHBondContact O-CB 3.41Å; A500-W504 PolarHBondContact O-N 3.26Å
501	S	98.8	Very high	96.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-64.6	-35	177.1	-63.2	0	0	0	0	112.8	S497 K498 G499 M505	S497-S501 VanDerWaalsContact O-CB 3.23Å; S497-S501 WeakPolarHBondContact O-CB 3.43Å; S497-S501 PolarHBondContact O-N 3.31Å; S497-S501 PolarHBondContact O-OG 2.93Å; K498-S501 PolarHBondContact O-N 2.77Å; G499-S501 PolarHBondContact O-N 2.97Å; S501-M505 WeakPolarHBondContact O-CB 3.43Å; S501-M505 PolarHBondContact O-N 3.24Å
502	L	98.7	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.8	-39.4	173.5	-68.5	-178	0	0	0	111.5	V477 K498 G499 A500 M505 M506 M557 W560 T561 L651	V477-L502 HydrophobicContact CG2-CD1 3.97Å; K498-L502 WeakPolarHBondContact O-CG 3.13Å; K498-L502 PolarHBondContact O-N 3.3Å; G499-L502 PolarHBondContact O-N 2.71Å; A500-L502 VanDerWaalsContact C-N 3.32Å; A500-L502 PolarHBondContact O-N 3.29Å; L502-M505 HydrophobicContact CD2-CE 3.95Å; L502-M505 PolarHBondContact O-N 2.83Å; L502-M506 WeakPolarHBondContact O-CG 3.42Å; L502-M506 PolarHBondContact O-N 2.84Å; L502-M557 HydrophobicContact CB-CE 3.83Å; L502-M557 HydrophobicContact CD1-CE 4.36Å; L502-M557 HydrophobicContact CD2-CE 4.24Å; L502-M557 HydrophobicContact CG-CE 4.36Å; L502-W560 HydrophobicContact CD1-CB 3.9Å; L502-W560 HydrophobicContact CD2-CB 3.65Å; L502-W560 HydrophobicContact CD2-CD2 3.91Å; L502-W560 HydrophobicContact CD2-CE3 3.72Å; L502-W560 HydrophobicContact CD2-CG 3.9Å; L502-W560 HydrophobicContact CG-CB 4.43Å; L502-T561 HydrophobicContact CD1-CG2 3.92Å; L502-L651 HydrophobicContact CD2-CD2 3.87Å; L502-L651 HydrophobicContact CG-CD2 4.33Å
503	I	98.7	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.3	-42.4	175	-66.5	160.9	0	0	0	111.3	W430 G434 F435 F438 G499 A500 M505 M506 E507 F515	W430-I503 HydrophobicContact CE3-CD1 4.34Å; W430-I503 HydrophobicContact CZ3-CD1 4.14Å; W430-I503 HydrophobicContact CZ3-CG1 4.08Å; G434-I503 WeakPolarHBondContact O-CD1 3.49Å; F435-I503 HydrophobicContact CB-CD1 4.31Å; F435-I503 HydrophobicContact CD1-CD1 4.01Å; F435-I503 HydrophobicContact CD1-CG2 4.35Å; F435-I503 HydrophobicContact CD2-CD1 3.5Å; F435-I503 HydrophobicContact CD2-CG1 4.39Å; F435-I503 HydrophobicContact CE1-CD1 4.13Å; F435-I503 HydrophobicContact CE1-CG1 4.31Å; F435-I503 HydrophobicContact CE1-CG2 3.99Å; F435-I503 HydrophobicContact CE2-CD1 3.65Å; F435-I503 HydrophobicContact CE2-CG1 4.05Å; F435-I503 HydrophobicContact CG-CD1 3.7Å; F435-I503 HydrophobicContact CZ-CD1 3.97Å; F435-I503 HydrophobicContact CZ-CG1 4.01Å; F435-I503 HydrophobicContact CZ-CG2 4.41Å; F438-I503 HydrophobicContact CB-CB 4.28Å; F438-I503 HydrophobicContact CB-CG2 3.94Å; F438-I503 HydrophobicContact CD1-CG2 3.54Å; F438-I503 HydrophobicContact CD2-CB 4.4Å; F438-I503 HydrophobicContact CD2-CG2 3.95Å; F438-I503 HydrophobicContact CE1-CG2 3.98Å; F438-I503 HydrophobicContact CE2-CG2 4.36Å; F438-I503 HydrophobicContact CG-CB 4.2Å; F438-I503 HydrophobicContact CG-CG2 3.52Å; F438-I503 HydrophobicContact CZ-CG2 4.36Å; G499-I503 WeakPolarHBondContact O-CD1 3.43Å; G499-I503 VanDerWaalsContact O-CG1 3.3Å; G499-I503 WeakPolarHBondContact O-CG1 2.89Å; G499-I503 PolarHBondContact O-N 3.2Å; A500-I503 PolarHBondContact O-N 3.49Å; I503-M505 PolarHBondContact O-N 2.99Å; I503-M506 HydrophobicContact CB-CE 4.27Å; I503-M506 HydrophobicContact CG1-CE 3.8Å; I503-M506 WeakPolarHBondContact O-CB 3.19Å; I503-M506 PolarHBondContact O-N 3.28Å; I503-E507 PolarHBondContact O-N 3.37Å; I503-F515 HydrophobicContact CG2-CE1 4.38Å; I503-F515 HydrophobicContact CG2-CE2 4.15Å; I503-F515 HydrophobicContact CG2-CZ 3.53Å
504	W	98.1	Very high	97.1	Very high	11 Å²	11	19.1 Å²	19.1	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-54.8	-51.7	170.8	169.4	-85.1	0	0	0	111	F438 D454 F457 A500 M506 E507 K508 Q648	F438-W504 HydrophobicContact CD2-CB 4.16Å; F438-W504 HydrophobicContact CE2-CB 3.99Å; F438-W504 HydrophobicContact CE2-CE3 4.11Å; D454-W504 HydrophobicContact CB-CH2 3.99Å; F457-W504 HydrophobicContact CB-CZ3 4.45Å; F457-W504 AromaticContact CD1-CD2 3.71Å; F457-W504 HydrophobicContact CD1-CD2 3.71Å; F457-W504 AromaticContact CD1-CE3 3.57Å; F457-W504 HydrophobicContact CD1-CE3 3.57Å; F457-W504 HydrophobicContact CD1-CG 4.19Å; F457-W504 HydrophobicContact CD1-CH2 4.47Å; F457-W504 AromaticContact CD1-CZ3 3.98Å; F457-W504 HydrophobicContact CD1-CZ3 3.98Å; F457-W504 HydrophobicContact CD2-CE3 4.35Å; F457-W504 HydrophobicContact CE1-CB 3.58Å; F457-W504 AromaticContact CE1-CD2 3.48Å; F457-W504 HydrophobicContact CE1-CD2 3.48Å; F457-W504 VanDerWaalsContact CE1-CD2 3.48Å; F457-W504 AromaticContact CE1-CE3 3.69Å; F457-W504 HydrophobicContact CE1-CE3 3.69Å; F457-W504 AromaticContact CE1-CG 3.45Å; F457-W504 HydrophobicContact CE1-CG 3.45Å; F457-W504 VanDerWaalsContact CE1-CG 3.45Å; F457-W504 HydrophobicContact CE2-CB 4.39Å; F457-W504 HydrophobicContact CE2-CE3 4.44Å; F457-W504 AromaticContact CG-CE3 3.94Å; F457-W504 HydrophobicContact CG-CE3 3.94Å; F457-W504 HydrophobicContact CG-CZ3 4.17Å; F457-W504 HydrophobicContact CZ-CB 3.45Å; F457-W504 VanDerWaalsContact CZ-CB 3.45Å; F457-W504 HydrophobicContact CZ-CD2 4.12Å; F457-W504 HydrophobicContact CZ-CE3 4.14Å; F457-W504 AromaticContact CZ-CG 3.88Å; F457-W504 HydrophobicContact CZ-CG 3.88Å; A500-W504 WeakPolarHBondContact O-CB 3.41Å; A500-W504 PolarHBondContact O-N 3.26Å; W504-M506 VanDerWaalsContact C-N 3.29Å; W504-M506 PolarHBondContact O-N 3.4Å; W504-E507 PolarHBondContact O-N 3.04Å; W504-E507 VanDerWaalsContact O-N 3.14Å; W504-K508 WeakPolarHBondContact O-CG 3.27Å; W504-K508 PolarHBondContact O-N 2.95Å; W504-Q648 PolarHBondContact NE1-O 3.39Å
505	M	98.2	Very high	97.1	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-57.6	-41.9	177.8	-174.4	177.6	71.2	0	0	111.8	S501 L502 I503 K508 F509 M557 W560 P606 E649	S501-M505 WeakPolarHBondContact O-CB 3.43Å; S501-M505 PolarHBondContact O-N 3.24Å; L502-M505 HydrophobicContact CD2-CE 3.95Å; L502-M505 PolarHBondContact O-N 2.83Å; I503-M505 PolarHBondContact O-N 2.99Å; M505-K508 PolarHBondContact O-N 2.7Å; M505-F509 HydrophobicContact CG-CD1 4.25Å; M505-F509 WeakPolarHBondContact O-CD1 3.33Å; M505-F509 PolarHBondContact O-N 2.84Å; M505-M557 HydrophobicContact CE-CE 4.32Å; M505-M557 HydrophobicContact CE-SD 4.24Å; M505-W560 HydrophobicContact CE-CD2 3.8Å; M505-W560 HydrophobicContact CE-CE3 4.38Å; M505-W560 HydrophobicContact CE-CG 4.07Å; M505-W560 HydrophobicContact CE-CH2 4.5Å; M505-W560 HydrophobicContact CE-CZ2 3.93Å; M505-W560 HydrophobicContact SD-CH2 4.26Å; M505-W560 HydrophobicContact SD-CZ2 3.99Å; M505-P606 HydrophobicContact CG-CG 3.96Å; M505-P606 HydrophobicContact SD-CG 4Å; M505-E649 WeakPolarHBondContact CA-O 3.48Å; M505-E649 WeakPolarHBondContact CB-O 3.26Å
506	M	97.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.3	-70.3	-170.8	-68.3	0	0	113.2	L502 I503 W504 K508 F509 M510 F515 W537 L540 I553 M557	L502-M506 WeakPolarHBondContact O-CG 3.42Å; L502-M506 PolarHBondContact O-N 2.84Å; I503-M506 HydrophobicContact CB-CE 4.27Å; I503-M506 HydrophobicContact CG1-CE 3.8Å; I503-M506 WeakPolarHBondContact O-CB 3.19Å; I503-M506 PolarHBondContact O-N 3.28Å; W504-M506 VanDerWaalsContact C-N 3.29Å; W504-M506 PolarHBondContact O-N 3.4Å; M506-K508 PolarHBondContact O-N 3.2Å; M506-F509 HydrophobicContact CB-CE1 4.06Å; M506-F509 HydrophobicContact CB-CZ 4.19Å; M506-F509 HydrophobicContact CG-CE1 3.71Å; M506-F509 HydrophobicContact CG-CZ 3.81Å; M506-F509 PolarHBondContact O-N 3.49Å; M506-M510 HydrophobicContact CB-SD 4.41Å; M506-M510 WeakPolarHBondContact O-CB 2.98Å; M506-M510 WeakPolarHBondContact O-CG 3.34Å; M506-M510 PolarHBondContact O-N 3.21Å; M506-F515 HydrophobicContact CB-CD2 4.31Å; M506-F515 HydrophobicContact CB-CE2 4.19Å; M506-W537 HydrophobicContact CE-CH2 4.12Å; M506-W537 HydrophobicContact CE-CZ3 3.82Å; M506-W537 HydrophobicContact SD-CE3 4.4Å; M506-W537 HydrophobicContact SD-CH2 3.96Å; M506-W537 HydrophobicContact SD-CZ3 3.41Å; M506-W537 WeakPolarHBondContact SD-CZ3 3.29Å; M506-L540 HydrophobicContact CE-CD1 4.44Å; M506-L540 HydrophobicContact SD-CD1 3.93Å; M506-I553 HydrophobicContact SD-CG2 4.38Å; M506-M557 HydrophobicContact CE-CE 4.3Å; M506-M557 HydrophobicContact CG-CE 3.87Å; M506-M557 HydrophobicContact CG-CG 4.21Å; M506-M557 HydrophobicContact CG-SD 3.62Å; M506-M557 HydrophobicContact SD-CE 3.86Å; M506-M557 HydrophobicContact SD-CG 3.69Å; M506-M557 HydrophobicContact SD-SD 3.85Å
507	E	97	Very high	97.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-38.1	176.7	-170.3	-110.4	-174.8	0	0	111.7	F438 I503 W504 G511 R512 F515	F438-E507 HydrophobicContact CZ-CB 3.98Å; F438-E507 HydrophobicContact CZ-CG 4.18Å; I503-E507 PolarHBondContact O-N 3.37Å; W504-E507 PolarHBondContact O-N 3.04Å; W504-E507 VanDerWaalsContact O-N 3.14Å; E507-G511 CarbonylContact O-C 3.49Å; E507-G511 VanDerWaalsContact O-CA 3.28Å; E507-G511 WeakPolarHBondContact O-CA 3.5Å; E507-G511 PolarHBondContact O-N 3.43Å; E507-R512 WeakPolarHBondContact OE1-CB 3.3Å; E507-R512 WeakPolarHBondContact OE1-CG 3.13Å; E507-R512 IonicContact OE1-CZ 2.72Å; E507-R512 IonicContact OE1-NE 2.71Å; E507-R512 PolarHBondContact OE1-NE 3.33Å; E507-R512 IonicContact OE1-NH2 3.63Å; E507-F515 HydrophobicContact CB-CB 4.37Å; E507-F515 HydrophobicContact CB-CD1 3.88Å; E507-F515 HydrophobicContact CB-CD2 4.3Å; E507-F515 HydrophobicContact CB-CE1 4.24Å; E507-F515 HydrophobicContact CB-CG 3.9Å; E507-F515 HydrophobicContact CG-CB 4.19Å; E507-F515 HydrophobicContact CG-CD1 3.73Å; E507-F515 HydrophobicContact CG-CE1 4.38Å; E507-F515 HydrophobicContact CG-CG 4.02Å
508	K	95	Very high	97.1	Very high	44 Å²	44	20.1 Å²	20.1	19%	0.191	11%	0.106	C	C	.	.	H	α-helix	trans	-69	-49.3	178.9	-60.3	-43	176.3	-159.3	0	112.7	W504 M505 M506 E649	W504-K508 WeakPolarHBondContact O-CG 3.27Å; W504-K508 PolarHBondContact O-N 2.95Å; M505-K508 PolarHBondContact O-N 2.7Å; M506-K508 PolarHBondContact O-N 3.2Å; K508-E649 HydrophobicContact CB-CB 3.99Å; K508-E649 HydrophobicContact CB-CG 4.22Å; K508-E649 HydrophobicContact CD-CG 4.4Å; K508-E649 WeakPolarHBondContact CD-OE1 3.47Å; K508-E649 HydrophobicContact CG-CB 3.84Å; K508-E649 HydrophobicContact CG-CG 3.79Å; K508-E649 WeakPolarHBondContact CG-OE1 3.45Å
509	F	94.9	Very high	97	Very high	11 Å²	11	20.1 Å²	20.1	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-76.6	-29.2	-177.9	76.3	-114.9	0	0	0	113	M505 M506 W544 I553 M557 P606 I622 W624	M505-F509 HydrophobicContact CG-CD1 4.25Å; M505-F509 WeakPolarHBondContact O-CD1 3.33Å; M505-F509 PolarHBondContact O-N 2.84Å; M506-F509 HydrophobicContact CB-CE1 4.06Å; M506-F509 HydrophobicContact CB-CZ 4.19Å; M506-F509 HydrophobicContact CG-CE1 3.71Å; M506-F509 HydrophobicContact CG-CZ 3.81Å; M506-F509 PolarHBondContact O-N 3.49Å; F509-W544 HydrophobicContact CD2-CH2 4.17Å; F509-W544 HydrophobicContact CD2-CZ2 4.2Å; F509-W544 WeakPolarHBondContact O-CH2 3.34Å; F509-W544 VanDerWaalsContact O-CZ3 3.25Å; F509-W544 WeakPolarHBondContact O-CZ3 3.15Å; F509-I553 HydrophobicContact CE2-CD1 3.56Å; F509-I553 HydrophobicContact CZ-CD1 3.83Å; F509-M557 HydrophobicContact CE1-SD 4.32Å; F509-P606 HydrophobicContact CB-CB 4.22Å; F509-P606 HydrophobicContact CB-CG 4.5Å; F509-P606 HydrophobicContact CD1-CG 4.06Å; F509-I622 HydrophobicContact CB-CD1 3.89Å; F509-W624 HydrophobicContact CB-CH2 4.32Å; F509-W624 HydrophobicContact CB-CZ2 4.35Å; F509-W624 HydrophobicContact CD1-CH2 4.2Å; F509-W624 AromaticContact CD2-CH2 3.86Å; F509-W624 HydrophobicContact CD2-CH2 3.86Å; F509-W624 HydrophobicContact CD2-CZ2 4.09Å; F509-W624 HydrophobicContact CE1-CH2 4.49Å; F509-W624 HydrophobicContact CE2-CH2 4.2Å; F509-W624 AromaticContact CG-CH2 3.9Å; F509-W624 HydrophobicContact CG-CH2 3.9Å; F509-W624 HydrophobicContact CG-CZ2 4.28Å
510	M	95	Very high	97	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-78.9	-25	176.3	-65.9	178.3	74	0	0	113.1	M506 F515 L540 W544 Q547 I553	M506-M510 HydrophobicContact CB-SD 4.41Å; M506-M510 WeakPolarHBondContact O-CB 2.98Å; M506-M510 WeakPolarHBondContact O-CG 3.34Å; M506-M510 PolarHBondContact O-N 3.21Å; M510-F515 HydrophobicContact CB-CB 4.29Å; M510-F515 HydrophobicContact SD-CD2 3.98Å; M510-L540 HydrophobicContact CE-CB 3.8Å; M510-L540 HydrophobicContact CE-CD2 4Å; M510-L540 HydrophobicContact CE-CG 4.4Å; M510-L540 WeakPolarHBondContact CE-O 3.27Å; M510-L540 HydrophobicContact SD-CB 4.29Å; M510-L540 HydrophobicContact SD-CD1 4.41Å; M510-L540 HydrophobicContact SD-CD2 4.32Å; M510-W544 VanDerWaalsContact CA-CZ3 3.45Å; M510-W544 HydrophobicContact CB-CE3 4.12Å; M510-W544 HydrophobicContact CB-CZ3 4.33Å; M510-W544 HydrophobicContact CE-CB 4.05Å; M510-W544 HydrophobicContact CG-CD2 4.42Å; M510-W544 HydrophobicContact CG-CE3 4.02Å; M510-W544 HydrophobicContact CG-CZ3 4.47Å; M510-Q547 PolarHBondContact O-NE2 3.38Å; M510-Q547 PolarHBondContact O-OE1 2.95Å; M510-I553 HydrophobicContact CG-CD1 4.37Å; M510-I553 HydrophobicContact SD-CD1 4.24Å
511	G	93.8	Very high	97	Very high	31 Å²	31	26.4 Å²	26.4	32%	0.32	13%	0.133	S	C	.	.			trans	77.1	142.6	-164.4	0	0	0	0	0	112.2	E507 S513 A514 F515	E507-G511 CarbonylContact O-C 3.49Å; E507-G511 VanDerWaalsContact O-CA 3.28Å; E507-G511 WeakPolarHBondContact O-CA 3.5Å; E507-G511 PolarHBondContact O-N 3.43Å; G511-S513 VanDerWaalsContact C-N 3.3Å; G511-S513 PolarHBondContact O-N 3.15Å; G511-S513 VanDerWaalsContact O-N 3.15Å; G511-A514 PolarHBondContact O-N 2.96Å; G511-F515 WeakPolarHBondContact O-CB 3.35Å; G511-F515 PolarHBondContact O-N 3.31Å
512	R	94.3	Very high	96.9	Very high	142 Å²	142	26.5 Å²	26.5	54%	0.536	13%	0.133	S	C	.	.	H	α-helix	trans	-49.8	-44.1	-173.7	-174.3	174.4	-67.7	173.2	-2.2	114.5	E507 Q516	E507-R512 WeakPolarHBondContact OE1-CB 3.3Å; E507-R512 WeakPolarHBondContact OE1-CG 3.13Å; E507-R512 IonicContact OE1-CZ 2.72Å; E507-R512 IonicContact OE1-NE 2.71Å; E507-R512 PolarHBondContact OE1-NE 3.33Å; E507-R512 IonicContact OE1-NH2 3.63Å; R512-Q516 VanDerWaalsContact O-CB 3.23Å; R512-Q516 WeakPolarHBondContact O-CB 3.22Å; R512-Q516 PolarHBondContact O-N 2.91Å
513	S	95.8	Very high	96.9	Very high	79 Å²	79	26.5 Å²	26.5	55%	0.552	13%	0.133	S	C	*	.	H	α-helix	trans	-66.9	-46.5	-176	-173.1	0	0	0	0	112.4	G511 N517	G511-S513 VanDerWaalsContact C-N 3.3Å; G511-S513 PolarHBondContact O-N 3.15Å; G511-S513 VanDerWaalsContact O-N 3.15Å; S513-N517 WeakPolarHBondContact O-CB 3.35Å; S513-N517 VanDerWaalsContact O-CG 3.23Å; S513-N517 PolarHBondContact O-N 3.16Å; S513-N517 PolarHBondContact O-ND2 3.4Å
514	A	95.7	Very high	96.9	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-39.9	179	0	0	0	0	0	111.2	G511 Q516 N517 G518 E543	G511-A514 PolarHBondContact O-N 2.96Å; A514-Q516 PolarHBondContact O-N 2.03Å; A514-N517 PolarHBondContact O-N 2.75Å; A514-G518 PolarHBondContact O-N 3.17Å; A514-E543 HydrophobicContact CB-CG 3.72Å; A514-E543 VanDerWaalsContact O-CG 3.25Å; A514-E543 WeakPolarHBondContact O-CG 3.49Å
515	F	97.6	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-52.7	173.5	179.9	-100.4	0	0	0	111.4	F435 F438 M439 I503 M506 E507 M510 G511 N517 G518 L519 L540	F435-F515 AromaticContact CE1-CZ 4Å; F435-F515 HydrophobicContact CE1-CZ 4Å; F438-F515 AromaticContact CE1-CE1 3.84Å; F438-F515 HydrophobicContact CE1-CE1 3.84Å; F438-F515 HydrophobicContact CE1-CZ 4.35Å; F438-F515 HydrophobicContact CZ-CE1 4.42Å; M439-F515 HydrophobicContact CE-CE1 4.35Å; I503-F515 HydrophobicContact CG2-CE1 4.38Å; I503-F515 HydrophobicContact CG2-CE2 4.15Å; I503-F515 HydrophobicContact CG2-CZ 3.53Å; M506-F515 HydrophobicContact CB-CD2 4.31Å; M506-F515 HydrophobicContact CB-CE2 4.19Å; E507-F515 HydrophobicContact CB-CB 4.37Å; E507-F515 HydrophobicContact CB-CD1 3.88Å; E507-F515 HydrophobicContact CB-CD2 4.3Å; E507-F515 HydrophobicContact CB-CE1 4.24Å; E507-F515 HydrophobicContact CB-CG 3.9Å; E507-F515 HydrophobicContact CG-CB 4.19Å; E507-F515 HydrophobicContact CG-CD1 3.73Å; E507-F515 HydrophobicContact CG-CE1 4.38Å; E507-F515 HydrophobicContact CG-CG 4.02Å; M510-F515 HydrophobicContact CB-CB 4.29Å; M510-F515 HydrophobicContact SD-CD2 3.98Å; G511-F515 WeakPolarHBondContact O-CB 3.35Å; G511-F515 PolarHBondContact O-N 3.31Å; F515-N517 PolarHBondContact O-N 2.87Å; F515-G518 PolarHBondContact O-N 3.31Å; F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CD1-CG 4.48Å; F515-L519 HydrophobicContact CE1-CD1 3.35Å; F515-L519 HydrophobicContact CE1-CG 4.05Å; F515-L519 HydrophobicContact CE2-CD2 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.61Å; F515-L519 HydrophobicContact CZ-CD2 4.16Å; F515-L519 HydrophobicContact CZ-CG 4.04Å; F515-L519 WeakPolarHBondContact O-CG 3.5Å; F515-L519 PolarHBondContact O-N 3.44Å; F515-L540 HydrophobicContact CD2-CD2 4.28Å; F515-L540 HydrophobicContact CE2-CD2 4.46Å
516	Q	97.9	Very high	96.9	Very high	39 Å²	39	35.9 Å²	35.9	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-47.4	179.1	-175.1	-177.8	10.1	0	0	112.2	Y353 R512 A514 G518 L519 K520	Y353-Q516 HydrophobicContact CD1-CG 4.33Å; Y353-Q516 HydrophobicContact CE1-CG 3.91Å; Y353-Q516 HydrophobicContact CE2-CG 4.31Å; Y353-Q516 PolarHBondContact O-NE2 3.43Å; R512-Q516 VanDerWaalsContact O-CB 3.23Å; R512-Q516 WeakPolarHBondContact O-CB 3.22Å; R512-Q516 PolarHBondContact O-N 2.91Å; A514-Q516 PolarHBondContact O-N 2.03Å; Q516-G518 VanDerWaalsContact C-N 3.31Å; Q516-G518 PolarHBondContact O-N 3.04Å; Q516-L519 WeakPolarHBondContact O-CB 3.46Å; Q516-L519 PolarHBondContact O-N 3.11Å; Q516-L519 VanDerWaalsContact O-N 3.16Å; Q516-K520 WeakPolarHBondContact O-CG 3.44Å; Q516-K520 PolarHBondContact O-N 3.38Å
517	N	97.8	Very high	96.8	Very high	54 Å²	54	39 Å²	39	29%	0.289	20%	0.195	S	C	.	.	H	α-helix	trans	-60.8	-39.8	177.8	-75.7	-15.6	0	0	0	112.3	S513 A514 F515 L519 K520 K521 E543	S513-N517 WeakPolarHBondContact O-CB 3.35Å; S513-N517 VanDerWaalsContact O-CG 3.23Å; S513-N517 PolarHBondContact O-N 3.16Å; S513-N517 PolarHBondContact O-ND2 3.4Å; A514-N517 PolarHBondContact O-N 2.75Å; F515-N517 PolarHBondContact O-N 2.87Å; N517-L519 VanDerWaalsContact C-N 3.35Å; N517-K520 PolarHBondContact O-N 2.9Å; N517-K521 WeakPolarHBondContact O-CG 3.38Å; N517-K521 PolarHBondContact O-N 3.33Å; N517-E543 HydrophobicContact CB-CG 3.9Å; N517-E543 VanDerWaalsContact CB-OE1 3.31Å; N517-E543 WeakPolarHBondContact CB-OE1 3.31Å; N517-E543 PolarHBondContact ND2-OE1 3.09Å
518	G	97.7	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-43.6	173.8	0	0	0	0	0	112	A514 F515 Q516 K521 Y522	A514-G518 PolarHBondContact O-N 3.17Å; F515-G518 PolarHBondContact O-N 3.31Å; Q516-G518 VanDerWaalsContact C-N 3.31Å; Q516-G518 PolarHBondContact O-N 3.04Å; G518-K521 PolarHBondContact O-N 3.34Å; G518-Y522 WeakPolarHBondContact O-CB 3.41Å; G518-Y522 PolarHBondContact O-N 3.19Å
519	L	98.2	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-42	174.1	-64.3	-175.9	0	0	0	112.9	F417 F435 M439 F515 Q516 N517 K521 Y522 L523 L536 L540	F417-L519 HydrophobicContact CZ-CD1 4.22Å; F417-L519 HydrophobicContact CZ-CD2 4.41Å; F435-L519 HydrophobicContact CD1-CD2 4.41Å; F435-L519 HydrophobicContact CE1-CD1 4.01Å; F435-L519 HydrophobicContact CE1-CD2 3.43Å; F435-L519 VanDerWaalsContact CE1-CD2 3.43Å; F435-L519 HydrophobicContact CE1-CG 4.36Å; F435-L519 HydrophobicContact CZ-CD2 3.81Å; M439-L519 HydrophobicContact CE-CD1 3.35Å; F515-L519 HydrophobicContact CD1-CD1 4.04Å; F515-L519 HydrophobicContact CD1-CG 4.48Å; F515-L519 HydrophobicContact CE1-CD1 3.35Å; F515-L519 HydrophobicContact CE1-CG 4.05Å; F515-L519 HydrophobicContact CE2-CD2 4.44Å; F515-L519 HydrophobicContact CE2-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.61Å; F515-L519 HydrophobicContact CZ-CD2 4.16Å; F515-L519 HydrophobicContact CZ-CG 4.04Å; F515-L519 WeakPolarHBondContact O-CG 3.5Å; F515-L519 PolarHBondContact O-N 3.44Å; Q516-L519 WeakPolarHBondContact O-CB 3.46Å; Q516-L519 PolarHBondContact O-N 3.11Å; Q516-L519 VanDerWaalsContact O-N 3.16Å; N517-L519 VanDerWaalsContact C-N 3.35Å; L519-K521 VanDerWaalsContact C-N 3.31Å; L519-K521 PolarHBondContact O-N 3.2Å; L519-Y522 WeakPolarHBondContact O-CB 3.39Å; L519-Y522 PolarHBondContact O-N 3.34Å; L519-L523 WeakPolarHBondContact O-CB 3.27Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.25Å; L519-L523 PolarHBondContact O-N 2.9Å; L519-L536 HydrophobicContact CD2-CD1 3.95Å; L519-L540 HydrophobicContact CD2-CD2 4.23Å
520	K	97.9	Very high	97.1	Very high	55 Å²	55	46.9 Å²	46.9	24%	0.239	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-46.9	174.7	-64.9	-169.6	174.6	175	0	110.9	Y353 F354 Q516 N517 L523 I524	Y353-K520 WeakPolarHBondContact O-CE 3.29Å; F354-K520 VanDerWaalsContact O-CG 3.29Å; F354-K520 WeakPolarHBondContact O-CG 3.45Å; Q516-K520 WeakPolarHBondContact O-CG 3.44Å; Q516-K520 PolarHBondContact O-N 3.38Å; N517-K520 PolarHBondContact O-N 2.9Å; K520-L523 PolarHBondContact O-N 3.45Å; K520-I524 WeakPolarHBondContact O-CB 3.36Å; K520-I524 WeakPolarHBondContact O-CD1 3.35Å; K520-I524 WeakPolarHBondContact O-CG1 3.17Å; K520-I524 PolarHBondContact O-N 3.34Å
521	K	97.5	Very high	97.2	Very high	76 Å²	76	46.8 Å²	46.8	33%	0.33	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-47.5	177.3	-72.4	174.4	178.3	172.2	0	111.6	N517 G518 L519 L523 I524 Q525 E543	N517-K521 WeakPolarHBondContact O-CG 3.38Å; N517-K521 PolarHBondContact O-N 3.33Å; G518-K521 PolarHBondContact O-N 3.34Å; L519-K521 VanDerWaalsContact C-N 3.31Å; L519-K521 PolarHBondContact O-N 3.2Å; K521-L523 PolarHBondContact O-N 2.88Å; K521-I524 PolarHBondContact O-N 3.43Å; K521-Q525 WeakPolarHBondContact O-CB 3.31Å; K521-Q525 WeakPolarHBondContact O-CG 3.4Å; K521-Q525 PolarHBondContact O-N 3.41Å; K521-E543 IonicContact NZ-OE2 2.88Å; K521-E543 PolarHBondContact NZ-OE2 3.31Å
522	Y	98.5	Very high	97.4	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-51.3	177	170	-111.2	0	0	0	111.7	F417 V421 G518 L519 N526 T531 D535 L536	F417-Y522 HydrophobicContact CE1-CD1 4.43Å; F417-Y522 HydrophobicContact CE1-CE1 4.27Å; V421-Y522 HydrophobicContact CB-CE1 4.49Å; V421-Y522 HydrophobicContact CG1-CE1 3.99Å; V421-Y522 HydrophobicContact CG1-CE2 4.42Å; V421-Y522 WeakPolarHBondContact CG1-OH 3.33Å; G518-Y522 WeakPolarHBondContact O-CB 3.41Å; G518-Y522 PolarHBondContact O-N 3.19Å; L519-Y522 WeakPolarHBondContact O-CB 3.39Å; L519-Y522 PolarHBondContact O-N 3.34Å; Y522-N526 WeakPolarHBondContact CD2-ND2 3.2Å; Y522-N526 WeakPolarHBondContact O-CB 3.36Å; Y522-N526 PolarHBondContact O-N 2.89Å; Y522-N526 PolarHBondContact O-ND2 2.75Å; Y522-T531 HydrophobicContact CE2-CG2 3.95Å; Y522-T531 PolarHBondContact OH-OG1 3.49Å; Y522-D535 HydrophobicContact CD2-CB 4.49Å; Y522-D535 HydrophobicContact CE2-CB 4.03Å; Y522-L536 HydrophobicContact CD1-CD1 4.1Å; Y522-L536 HydrophobicContact CD2-CB 4.18Å; Y522-L536 HydrophobicContact CD2-CD1 4.27Å; Y522-L536 HydrophobicContact CE1-CD1 4.41Å; Y522-L536 HydrophobicContact CE2-CB 3.99Å; Y522-L536 HydrophobicContact CG-CD1 4.01Å
523	L	98.5	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-43.8	-178.1	-67.7	171.1	0	0	0	111.8	F354 I356 W416 F417 V421 L519 K520 K521 N526 Q527	F354-L523 HydrophobicContact CB-CD1 4Å; F354-L523 HydrophobicContact CD1-CD1 3.51Å; F354-L523 HydrophobicContact CE1-CD1 4.2Å; F354-L523 HydrophobicContact CG-CD1 3.81Å; I356-L523 HydrophobicContact CD1-CB 3.38Å; I356-L523 HydrophobicContact CD1-CD1 4.28Å; I356-L523 HydrophobicContact CD1-CG 4.47Å; W416-L523 HydrophobicContact CB-CD1 4.02Å; W416-L523 HydrophobicContact CB-CD2 4.16Å; W416-L523 HydrophobicContact CG-CD1 4.4Å; W416-L523 WeakPolarHBondContact O-CD2 3Å; F417-L523 HydrophobicContact CD1-CD2 4.26Å; F417-L523 HydrophobicContact CE1-CD2 4.02Å; F417-L523 HydrophobicContact CZ-CD1 4.18Å; F417-L523 HydrophobicContact CZ-CD2 4.36Å; V421-L523 HydrophobicContact CB-CD2 4.2Å; V421-L523 HydrophobicContact CG2-CD2 3.74Å; L519-L523 WeakPolarHBondContact O-CB 3.27Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.25Å; L519-L523 PolarHBondContact O-N 2.9Å; K520-L523 PolarHBondContact O-N 3.45Å; K521-L523 PolarHBondContact O-N 2.88Å; L523-N526 PolarHBondContact O-N 3.05Å; L523-Q527 WeakPolarHBondContact O-CG 3.42Å; L523-Q527 PolarHBondContact O-N 2.8Å; L523-Q527 VanDerWaalsContact O-N 3.1Å
524	I	97.9	Very high	97.6	Very high	97 Å²	97	43.1 Å²	43.1	50%	0.497	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-44.6	179.1	-70	168.3	0	0	0	111.6	I356 K520 K521 N526	I356-I524 HydrophobicContact CD1-CG1 3.89Å; I356-I524 HydrophobicContact CG1-CG1 3.99Å; K520-I524 WeakPolarHBondContact O-CB 3.36Å; K520-I524 WeakPolarHBondContact O-CD1 3.35Å; K520-I524 WeakPolarHBondContact O-CG1 3.17Å; K520-I524 PolarHBondContact O-N 3.34Å; K521-I524 PolarHBondContact O-N 3.43Å; I524-N526 VanDerWaalsContact C-N 3.26Å; I524-N526 PolarHBondContact O-N 3.1Å
525	Q	97.7	Very high	97.7	Very high	96 Å²	96	45.6 Å²	45.6	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-68.1	-28.5	-177.5	-71	170	5.8	0	0	112.7	K521 K529	K521-Q525 WeakPolarHBondContact O-CB 3.31Å; K521-Q525 WeakPolarHBondContact O-CG 3.4Å; K521-Q525 PolarHBondContact O-N 3.41Å; Q525-K529 PolarHBondContact O-NZ 3.46Å
526	N	98	Very high	97.8	Very high	18 Å²	18	45.6 Å²	45.6	10%	0.096	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	12.5	-171.1	-62.5	-55.6	0	0	0	114.5	V421 Y522 L523 I524 Y528 K529 T531	V421-N526 HydrophobicContact CG1-CB 3.92Å; V421-N526 HydrophobicContact CG2-CB 3.97Å; Y522-N526 WeakPolarHBondContact CD2-ND2 3.2Å; Y522-N526 WeakPolarHBondContact O-CB 3.36Å; Y522-N526 PolarHBondContact O-N 2.89Å; Y522-N526 PolarHBondContact O-ND2 2.75Å; L523-N526 PolarHBondContact O-N 3.05Å; I524-N526 VanDerWaalsContact C-N 3.26Å; I524-N526 PolarHBondContact O-N 3.1Å; N526-Y528 PolarHBondContact O-N 3Å; N526-K529 WeakPolarHBondContact O-CB 3.23Å; N526-K529 PolarHBondContact O-N 3.2Å; N526-T531 HydrophobicContact CB-CG2 3.52Å
527	Q	96.3	Very high	97.8	Very high	66 Å²	66	43.8 Å²	43.8	31%	0.308	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.2	-180	-65.4	-170.9	6.9	0	0	112.5	I420 L523 K529	I420-Q527 HydrophobicContact CG2-CB 3.91Å; I420-Q527 HydrophobicContact CG2-CG 3.85Å; L523-Q527 WeakPolarHBondContact O-CG 3.42Å; L523-Q527 PolarHBondContact O-N 2.8Å; L523-Q527 VanDerWaalsContact O-N 3.1Å; Q527-K529 PolarHBondContact O-N 3.27Å
528	Y	96.8	Very high	97.7	Very high	74 Å²	74	47.6 Å²	47.6	29%	0.29	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	17.7	-179.3	-48.9	-77.1	0	0	0	114.8	V297 S359 W379 I420 N526	V297-Y528 HydrophobicContact CB-CE1 4Å; V297-Y528 HydrophobicContact CG1-CE1 4.39Å; V297-Y528 HydrophobicContact CG2-CE1 4.33Å; S359-Y528 PolarHBondContact OG-OH 3.16Å; W379-Y528 AromaticContact CH2-CD1 3.92Å; W379-Y528 HydrophobicContact CH2-CD1 3.92Å; W379-Y528 AromaticContact CH2-CE1 3.76Å; W379-Y528 HydrophobicContact CH2-CE1 3.76Å; W379-Y528 HydrophobicContact CZ2-CE1 4.18Å; I420-Y528 WeakPolarHBondContact O-CA 3.36Å; I420-Y528 PolarHBondContact O-N 3.47Å; N526-Y528 PolarHBondContact O-N 3Å
529	K	97.5	Very high	97.7	Very high	114 Å²	114	47.7 Å²	47.7	50%	0.496	22%	0.22	S	C	.	.	S	Bend	trans	-109.7	178.2	175.5	-57.8	179	-168.8	160.1	0	110.5	K257 T422 Q525 N526 Q527	K257-K529 PolarHBondContact NZ-O 3.13Å; T422-K529 PolarHBondContact N-O 2.93Å; Q525-K529 PolarHBondContact O-NZ 3.46Å; N526-K529 WeakPolarHBondContact O-CB 3.23Å; N526-K529 PolarHBondContact O-N 3.2Å; Q527-K529 PolarHBondContact O-N 3.27Å
530	N	98.2	Very high	97.7	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.193	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.1	169	-61.4	79	0	0	0	110	P254 E255 K257 T422 M423 K424	P254-N530 VanDerWaalsContact C-ND2 3.32Å; P254-N530 PolarHBondContact O-ND2 3.01Å; E255-N530 PolarHBondContact O-OD1 2.8Å; K257-N530 WeakPolarHBondContact CD-OD1 3.39Å; K257-N530 WeakPolarHBondContact CE-OD1 3.19Å; K257-N530 WeakPolarHBondContact CG-OD1 3.37Å; T422-N530 WeakPolarHBondContact CB-ND2 3.31Å; T422-N530 CarbonylContact O-C 3.59Å; T422-N530 WeakPolarHBondContact O-CA 3.37Å; M423-N530 PolarHBondContact O-ND2 3.38Å; K424-N530 HydrophobicContact CB-CB 4.23Å
531	T	98.1	Very high	97.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.3	-173.3	52.3	0	0	0	0	112	V421 T422 M423 K424 Y522 N526 D535	V421-T531 HydrophobicContact CG1-CG2 3.58Å; V421-T531 WeakPolarHBondContact CG1-OG1 3.34Å; T422-T531 PolarHBondContact O-N 3.33Å; M423-T531 CarbonylContact C-O 3.51Å; M423-T531 WeakPolarHBondContact CA-O 3.47Å; K424-T531 WeakPolarHBondContact CB-O 3.44Å; K424-T531 PolarHBondContact N-O 2.8Å; Y522-T531 HydrophobicContact CE2-CG2 3.95Å; Y522-T531 PolarHBondContact OH-OG1 3.49Å; N526-T531 HydrophobicContact CB-CG2 3.52Å; T531-D535 VanDerWaalsContact CA-OD2 3.27Å; T531-D535 WeakPolarHBondContact CA-OD2 3.09Å; T531-D535 WeakPolarHBondContact CB-OD2 3.41Å; T531-D535 HydrophobicContact CG2-CB 3.97Å
532	N	97.3	Very high	97.5	Very high	51 Å²	51	45.3 Å²	45.3	27%	0.273	21%	0.214	S	C	.	.			trans	-120.2	-176.8	163.8	62.1	37.8	0	0	0	110.1	K534 D535	N532-K534 PolarHBondContact O-N 2.96Å; N532-K534 VanDerWaalsContact OD1-CB 3.28Å; N532-K534 WeakPolarHBondContact OD1-CB 3.48Å; N532-K534 PolarHBondContact OD1-N 3.43Å; N532-D535 PolarHBondContact N-OD2 3.47Å; N532-D535 PolarHBondContact O-N 3.16Å; N532-D535 PolarHBondContact OD1-N 2.82Å; N532-D535 PolarHBondContact OD1-OD2 3.1Å
533	E	97.4	Very high	97.4	Very high	18 Å²	18	46.2 Å²	46.2	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-30.5	-178.2	72.9	-73.5	178.1	0	0	113.2	N428 W430 I478 D535 L536 W537 K562	N428-E533 PolarHBondContact ND2-OE2 3.14Å; N428-E533 PolarHBondContact OD1-N 3.46Å; N428-E533 PolarHBondContact OD1-OE2 3.2Å; W430-E533 HydrophobicContact CZ2-CB 4.1Å; I478-E533 HydrophobicContact CD1-CB 3.78Å; I478-E533 HydrophobicContact CD1-CG 3.66Å; E533-D535 VanDerWaalsContact C-N 3.33Å; E533-D535 PolarHBondContact O-N 3.25Å; E533-L536 WeakPolarHBondContact O-CB 3.37Å; E533-L536 PolarHBondContact O-N 3.32Å; E533-L536 VanDerWaalsContact O-N 3.17Å; E533-W537 HydrophobicContact CB-CZ2 4.38Å; E533-W537 VanDerWaalsContact O-CD1 3.29Å; E533-W537 PolarHBondContact O-N 3.3Å; E533-K562 IonicContact OE1-NZ 3.47Å
534	K	97.9	Very high	97.1	Very high	106 Å²	106	46.6 Å²	46.6	46%	0.461	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-34.4	-178.2	-56.5	-174.6	173.9	-173.9	0	112.2	N532 L536 W537 K538	N532-K534 PolarHBondContact O-N 2.96Å; N532-K534 VanDerWaalsContact OD1-CB 3.28Å; N532-K534 WeakPolarHBondContact OD1-CB 3.48Å; N532-K534 PolarHBondContact OD1-N 3.43Å; K534-L536 VanDerWaalsContact C-N 3.28Å; K534-L536 PolarHBondContact O-N 3.02Å; K534-W537 PolarHBondContact O-N 2.82Å; K534-K538 VanDerWaalsContact O-CB 3.29Å; K534-K538 WeakPolarHBondContact O-CB 3.35Å; K534-K538 PolarHBondContact O-N 3.47Å
535	D	98.2	Very high	96.9	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-38.4	175.3	-62.5	-55.7	0	0	0	111.1	Y522 T531 N532 E533 A539	Y522-D535 HydrophobicContact CD2-CB 4.49Å; Y522-D535 HydrophobicContact CE2-CB 4.03Å; T531-D535 VanDerWaalsContact CA-OD2 3.27Å; T531-D535 WeakPolarHBondContact CA-OD2 3.09Å; T531-D535 WeakPolarHBondContact CB-OD2 3.41Å; T531-D535 HydrophobicContact CG2-CB 3.97Å; N532-D535 PolarHBondContact N-OD2 3.47Å; N532-D535 PolarHBondContact O-N 3.16Å; N532-D535 PolarHBondContact OD1-N 2.82Å; N532-D535 PolarHBondContact OD1-OD2 3.1Å; E533-D535 VanDerWaalsContact C-N 3.33Å; E533-D535 PolarHBondContact O-N 3.25Å; D535-A539 PolarHBondContact O-N 3.16Å
536	L	98.2	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-50.4	174.8	176.1	67.2	0	0	0	111.3	W430 L431 F435 L519 Y522 E533 K534 K538 A539 L540	W430-L536 HydrophobicContact CH2-CD2 3.78Å; W430-L536 HydrophobicContact CZ2-CD2 4.46Å; W430-L536 HydrophobicContact CZ3-CD2 4.48Å; L431-L536 HydrophobicContact CD2-CB 4.41Å; L431-L536 HydrophobicContact CD2-CD2 3.68Å; F435-L536 HydrophobicContact CE2-CD1 4.47Å; F435-L536 HydrophobicContact CE2-CD2 3.55Å; F435-L536 HydrophobicContact CZ-CD1 4.02Å; F435-L536 HydrophobicContact CZ-CD2 3.7Å; L519-L536 HydrophobicContact CD2-CD1 3.95Å; Y522-L536 HydrophobicContact CD1-CD1 4.1Å; Y522-L536 HydrophobicContact CD2-CB 4.18Å; Y522-L536 HydrophobicContact CD2-CD1 4.27Å; Y522-L536 HydrophobicContact CE1-CD1 4.41Å; Y522-L536 HydrophobicContact CE2-CB 3.99Å; Y522-L536 HydrophobicContact CG-CD1 4.01Å; E533-L536 WeakPolarHBondContact O-CB 3.37Å; E533-L536 PolarHBondContact O-N 3.32Å; E533-L536 VanDerWaalsContact O-N 3.17Å; K534-L536 VanDerWaalsContact C-N 3.28Å; K534-L536 PolarHBondContact O-N 3.02Å; L536-K538 VanDerWaalsContact C-N 3.3Å; L536-K538 PolarHBondContact O-N 3.46Å; L536-A539 PolarHBondContact O-N 3.06Å; L536-A539 VanDerWaalsContact O-N 3.08Å; L536-L540 HydrophobicContact CD1-CD1 3.97Å; L536-L540 HydrophobicContact CD1-CD2 4.48Å; L536-L540 HydrophobicContact CD1-CG 4.01Å; L536-L540 HydrophobicContact CD2-CD1 4.48Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.3Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 3.39Å
537	W	97.8	Very high	96.2	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-55.2	-45.9	178.5	-58.6	154	0	0	0	111.9	W430 M506 E533 K534 A539 L540 S541 I553 E554 M557 T561	W430-W537 AromaticContact CH2-CH2 3.41Å; W430-W537 HydrophobicContact CH2-CH2 3.41Å; W430-W537 VanDerWaalsContact CH2-CH2 3.41Å; W430-W537 AromaticContact CH2-CZ2 3.9Å; W430-W537 HydrophobicContact CH2-CZ2 3.9Å; W430-W537 HydrophobicContact CH2-CZ3 4.12Å; W430-W537 AromaticContact CZ2-CH2 3.93Å; W430-W537 HydrophobicContact CZ2-CH2 3.93Å; W430-W537 AromaticContact CZ2-CZ2 3.92Å; W430-W537 HydrophobicContact CZ2-CZ2 3.92Å; W430-W537 HydrophobicContact CZ3-CH2 4.45Å; M506-W537 HydrophobicContact CE-CH2 4.12Å; M506-W537 HydrophobicContact CE-CZ3 3.82Å; M506-W537 HydrophobicContact SD-CE3 4.4Å; M506-W537 HydrophobicContact SD-CH2 3.96Å; M506-W537 HydrophobicContact SD-CZ3 3.41Å; M506-W537 WeakPolarHBondContact SD-CZ3 3.29Å; E533-W537 HydrophobicContact CB-CZ2 4.38Å; E533-W537 VanDerWaalsContact O-CD1 3.29Å; E533-W537 PolarHBondContact O-N 3.3Å; K534-W537 PolarHBondContact O-N 2.82Å; W537-A539 VanDerWaalsContact C-N 3.33Å; W537-A539 PolarHBondContact O-N 2.9Å; W537-L540 HydrophobicContact CE3-CD1 4.16Å; W537-L540 HydrophobicContact CZ3-CD1 4.15Å; W537-L540 PolarHBondContact O-N 3.01Å; W537-S541 VanDerWaalsContact O-CB 3.29Å; W537-S541 WeakPolarHBondContact O-CB 3.49Å; W537-S541 PolarHBondContact O-N 2.74Å; W537-S541 PolarHBondContact O-OG 3.11Å; W537-I553 HydrophobicContact CD2-CG2 4.17Å; W537-I553 HydrophobicContact CE3-CG2 3.55Å; W537-I553 HydrophobicContact CZ3-CG2 4.05Å; W537-E554 HydrophobicContact CB-CB 3.97Å; W537-E554 HydrophobicContact CG-CB 4.04Å; W537-M557 HydrophobicContact CD2-CB 4.36Å; W537-M557 HydrophobicContact CE3-CB 4.41Å; W537-M557 HydrophobicContact CE3-CG 4.41Å; W537-M557 HydrophobicContact CH2-CB 3.41Å; W537-M557 VanDerWaalsContact CH2-CB 3.41Å; W537-M557 HydrophobicContact CH2-CE 4.32Å; W537-M557 HydrophobicContact CH2-CG 3.7Å; W537-M557 HydrophobicContact CZ2-CB 3.34Å; W537-M557 HydrophobicContact CZ2-CG 4.15Å; W537-M557 HydrophobicContact CZ3-CB 4Å; W537-M557 HydrophobicContact CZ3-CG 3.88Å; W537-T561 HydrophobicContact CH2-CG2 4.45Å; W537-T561 HydrophobicContact CZ2-CG2 4.06Å
538	K	97.2	Very high	95.6	Very high	135 Å²	135	48.7 Å²	48.7	59%	0.587	25%	0.249	S	C	*	.	H	α-helix	trans	-56.6	-45.6	175.8	-177.6	176.6	-179.9	176.9	0	112.3	K534 L536 N542	K534-K538 VanDerWaalsContact O-CB 3.29Å; K534-K538 WeakPolarHBondContact O-CB 3.35Å; K534-K538 PolarHBondContact O-N 3.47Å; L536-K538 VanDerWaalsContact C-N 3.3Å; L536-K538 PolarHBondContact O-N 3.46Å; K538-N542 WeakPolarHBondContact O-CB 3.24Å; K538-N542 PolarHBondContact O-N 3.13Å; K538-N542 VanDerWaalsContact O-N 3.1Å; K538-N542 PolarHBondContact O-ND2 2.85Å
539	A	97.3	Very high	95	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-41.1	-179.7	0	0	0	0	0	112.5	D535 L536 W537	D535-A539 PolarHBondContact O-N 3.16Å; L536-A539 PolarHBondContact O-N 3.06Å; L536-A539 VanDerWaalsContact O-N 3.08Å; W537-A539 VanDerWaalsContact C-N 3.33Å; W537-A539 PolarHBondContact O-N 2.9Å
540	L	97.9	Very high	94.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.9	-47.9	177.4	-64.9	-177.7	0	0	0	111.9	M506 M510 F515 L519 L536 W537 N542 E543 W544 I553	M506-L540 HydrophobicContact CE-CD1 4.44Å; M506-L540 HydrophobicContact SD-CD1 3.93Å; M510-L540 HydrophobicContact CE-CB 3.8Å; M510-L540 HydrophobicContact CE-CD2 4Å; M510-L540 HydrophobicContact CE-CG 4.4Å; M510-L540 WeakPolarHBondContact CE-O 3.27Å; M510-L540 HydrophobicContact SD-CB 4.29Å; M510-L540 HydrophobicContact SD-CD1 4.41Å; M510-L540 HydrophobicContact SD-CD2 4.32Å; F515-L540 HydrophobicContact CD2-CD2 4.28Å; F515-L540 HydrophobicContact CE2-CD2 4.46Å; L519-L540 HydrophobicContact CD2-CD2 4.23Å; L536-L540 HydrophobicContact CD1-CD1 3.97Å; L536-L540 HydrophobicContact CD1-CD2 4.48Å; L536-L540 HydrophobicContact CD1-CG 4.01Å; L536-L540 HydrophobicContact CD2-CD1 4.48Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.3Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 3.39Å; W537-L540 HydrophobicContact CE3-CD1 4.16Å; W537-L540 HydrophobicContact CZ3-CD1 4.15Å; W537-L540 PolarHBondContact O-N 3.01Å; L540-N542 VanDerWaalsContact C-N 3.28Å; L540-N542 PolarHBondContact O-N 2.94Å; L540-E543 PolarHBondContact O-N 3.26Å; L540-E543 VanDerWaalsContact O-N 3.12Å; L540-W544 WeakPolarHBondContact O-CB 3.28Å; L540-W544 PolarHBondContact O-N 3.23Å; L540-I553 HydrophobicContact CB-CG1 4.23Å; L540-I553 HydrophobicContact CB-CG2 4.31Å; L540-I553 HydrophobicContact CD1-CG2 4.45Å
541	S	96.7	Very high	93.7	Very high	4 Å²	4	51 Å²	51	3%	0.028	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-42.2	175.9	-76.1	0	0	0	0	111.5	W537 E543 W544 N545 D552 I553	W537-S541 VanDerWaalsContact O-CB 3.29Å; W537-S541 WeakPolarHBondContact O-CB 3.49Å; W537-S541 PolarHBondContact O-N 2.74Å; W537-S541 PolarHBondContact O-OG 3.11Å; S541-E543 VanDerWaalsContact C-N 3.3Å; S541-E543 PolarHBondContact O-N 3.17Å; S541-W544 PolarHBondContact O-N 2.85Å; S541-N545 WeakPolarHBondContact O-CB 3.4Å; S541-N545 PolarHBondContact O-N 3.31Å; S541-N545 PolarHBondContact O-ND2 3.31Å; S541-N545 PolarHBondContact O-OD1 2.84Å; S541-D552 WeakPolarHBondContact CB-OD2 3.27Å; S541-D552 PolarHBondContact OG-OD2 3.05Å; S541-I553 WeakPolarHBondContact OG-CB 3.48Å; S541-I553 WeakPolarHBondContact OG-CG1 3.08Å; S541-I553 PolarHBondContact OG-N 3.42Å; S541-I553 VanDerWaalsContact OG-N 3.08Å
542	N	94.4	Very high	93.5	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-37.6	178.4	-77.4	-25.7	0	0	0	113.2	K538 L540 T546	K538-N542 WeakPolarHBondContact O-CB 3.24Å; K538-N542 PolarHBondContact O-N 3.13Å; K538-N542 VanDerWaalsContact O-N 3.1Å; K538-N542 PolarHBondContact O-ND2 2.85Å; L540-N542 VanDerWaalsContact C-N 3.28Å; L540-N542 PolarHBondContact O-N 2.94Å; N542-T546 WeakPolarHBondContact O-CG2 3.47Å
543	E	95.2	Very high	93.5	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-80.3	-40.6	176.4	-171	69.3	-176.8	0	0	111.5	A514 N517 K521 L540 S541 N545 T546	A514-E543 HydrophobicContact CB-CG 3.72Å; A514-E543 VanDerWaalsContact O-CG 3.25Å; A514-E543 WeakPolarHBondContact O-CG 3.49Å; N517-E543 HydrophobicContact CB-CG 3.9Å; N517-E543 VanDerWaalsContact CB-OE1 3.31Å; N517-E543 WeakPolarHBondContact CB-OE1 3.31Å; N517-E543 PolarHBondContact ND2-OE1 3.09Å; K521-E543 IonicContact NZ-OE2 2.88Å; K521-E543 PolarHBondContact NZ-OE2 3.31Å; L540-E543 PolarHBondContact O-N 3.26Å; L540-E543 VanDerWaalsContact O-N 3.12Å; S541-E543 VanDerWaalsContact C-N 3.3Å; S541-E543 PolarHBondContact O-N 3.17Å; E543-N545 VanDerWaalsContact C-N 3.32Å; E543-N545 PolarHBondContact O-N 3.49Å; E543-T546 WeakPolarHBondContact O-CB 3.39Å; E543-T546 PolarHBondContact O-N 3.39Å; E543-T546 VanDerWaalsContact O-N 3.08Å; E543-T546 PolarHBondContact O-OG1 3.16Å
544	W	94.2	Very high	93.5	Very high	9 Å²	9	53.6 Å²	53.6	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-42.8	177.2	179.4	-126	0	0	0	113	F509 M510 L540 S541 T546 Q547 N549 L551 I553 W624	F509-W544 HydrophobicContact CD2-CH2 4.17Å; F509-W544 HydrophobicContact CD2-CZ2 4.2Å; F509-W544 WeakPolarHBondContact O-CH2 3.34Å; F509-W544 VanDerWaalsContact O-CZ3 3.25Å; F509-W544 WeakPolarHBondContact O-CZ3 3.15Å; M510-W544 VanDerWaalsContact CA-CZ3 3.45Å; M510-W544 HydrophobicContact CB-CE3 4.12Å; M510-W544 HydrophobicContact CB-CZ3 4.33Å; M510-W544 HydrophobicContact CE-CB 4.05Å; M510-W544 HydrophobicContact CG-CD2 4.42Å; M510-W544 HydrophobicContact CG-CE3 4.02Å; M510-W544 HydrophobicContact CG-CZ3 4.47Å; L540-W544 WeakPolarHBondContact O-CB 3.28Å; L540-W544 PolarHBondContact O-N 3.23Å; S541-W544 PolarHBondContact O-N 2.85Å; W544-T546 PolarHBondContact O-N 3.35Å; W544-Q547 PolarHBondContact O-N 3.27Å; W544-N549 HydrophobicContact CD2-CB 3.75Å; W544-N549 VanDerWaalsContact CE2-CG 3.44Å; W544-N549 HydrophobicContact CE3-CB 4.36Å; W544-N549 HydrophobicContact CG-CB 4.16Å; W544-N549 HydrophobicContact CH2-CB 4.17Å; W544-N549 WeakPolarHBondContact CH2-ND2 3.3Å; W544-N549 HydrophobicContact CZ2-CB 3.54Å; W544-N549 WeakPolarHBondContact CZ2-ND2 3.4Å; W544-N549 WeakPolarHBondContact CZ2-OD1 3.45Å; W544-N549 WeakPolarHBondContact CZ3-ND2 3.31Å; W544-L551 VanDerWaalsContact CD1-O 3.22Å; W544-L551 PolarHBondContact NE1-O 3.17Å; W544-I553 HydrophobicContact CB-CD1 4.33Å; W544-I553 HydrophobicContact CB-CG1 4.36Å; W544-I553 HydrophobicContact CG-CD1 3.98Å; W544-I553 HydrophobicContact CG-CG1 4.39Å; W544-W624 HydrophobicContact CZ2-CZ2 4.2Å
545	N	92.9	Very high	93.4	Very high	73 Å²	73	53.9 Å²	53.9	39%	0.39	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-64.9	-23.8	178.8	-68.3	-15.6	0	0	0	112.7	S541 E543 Q547 G548 N549	S541-N545 WeakPolarHBondContact O-CB 3.4Å; S541-N545 PolarHBondContact O-N 3.31Å; S541-N545 PolarHBondContact O-ND2 3.31Å; S541-N545 PolarHBondContact O-OD1 2.84Å; E543-N545 VanDerWaalsContact C-N 3.32Å; E543-N545 PolarHBondContact O-N 3.49Å; N545-Q547 PolarHBondContact O-N 3.26Å; N545-G548 PolarHBondContact O-N 2.91Å; N545-G548 VanDerWaalsContact O-N 3.12Å; N545-N549 PolarHBondContact OD1-O 3.49Å
546	T	92	Very high	93.4	Very high	97 Å²	97	51.3 Å²	51.3	60%	0.595	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.9	177.3	70.7	0	0	0	0	113.1	N542 E543 W544 G548	N542-T546 WeakPolarHBondContact O-CG2 3.47Å; E543-T546 WeakPolarHBondContact O-CB 3.39Å; E543-T546 PolarHBondContact O-N 3.39Å; E543-T546 VanDerWaalsContact O-N 3.08Å; E543-T546 PolarHBondContact O-OG1 3.16Å; W544-T546 PolarHBondContact O-N 3.35Å; T546-G548 VanDerWaalsContact C-N 3.29Å
547	Q	88.2	Confident	93.4	Very high	101 Å²	101	51.3 Å²	51.3	47%	0.472	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-87.1	5.1	176.6	-61.5	-177.5	-5.5	0	0	113.1	M510 W544 N545 N549	M510-Q547 PolarHBondContact O-NE2 3.38Å; M510-Q547 PolarHBondContact O-OE1 2.95Å; W544-Q547 PolarHBondContact O-N 3.27Å; N545-Q547 PolarHBondContact O-N 3.26Å; Q547-N549 VanDerWaalsContact C-N 3.35Å; Q547-N549 WeakPolarHBondContact CB-ND2 3.46Å
548	G	84.4	Confident	93.4	Very high	49 Å²	49	53.2 Å²	53.2	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	12.1	-177.5	0	0	0	0	0	114.3	N545 T546	N545-G548 PolarHBondContact O-N 2.91Å; N545-G548 VanDerWaalsContact O-N 3.12Å; T546-G548 VanDerWaalsContact C-N 3.29Å
549	N	83.7	Confident	93.4	Very high	46 Å²	46	47.6 Å²	47.6	25%	0.246	25%	0.254	C	S	.	.			trans	-78.6	148.2	172.5	-65.3	-69.7	0	0	0	111.1	W544 N545 Q547	W544-N549 HydrophobicContact CD2-CB 3.75Å; W544-N549 VanDerWaalsContact CE2-CG 3.44Å; W544-N549 HydrophobicContact CE3-CB 4.36Å; W544-N549 HydrophobicContact CG-CB 4.16Å; W544-N549 HydrophobicContact CH2-CB 4.17Å; W544-N549 WeakPolarHBondContact CH2-ND2 3.3Å; W544-N549 HydrophobicContact CZ2-CB 3.54Å; W544-N549 WeakPolarHBondContact CZ2-ND2 3.4Å; W544-N549 WeakPolarHBondContact CZ2-OD1 3.45Å; W544-N549 WeakPolarHBondContact CZ3-ND2 3.31Å; N545-N549 PolarHBondContact OD1-O 3.49Å; Q547-N549 VanDerWaalsContact C-N 3.35Å; Q547-N549 WeakPolarHBondContact CB-ND2 3.46Å
550	H	79	Confident	93.4	Very high	179 Å²	179	47.6 Å²	47.6	83%	0.829	25%	0.253	S	S	*	.			trans	-121.6	-8.8	-176.3	-61.4	-48.2	0	0	0	114.2	D552	H550-D552 PolarHBondContact O-N 3.48Å
551	L	89.8	Confident	93.4	Very high	48 Å²	48	47.6 Å²	47.6	25%	0.251	25%	0.253	S	S	.	.	S	Bend	trans	-78.8	119.9	172.9	-69.3	176.1	0	0	0	109.1	W544 I556 W624	W544-L551 VanDerWaalsContact CD1-O 3.22Å; W544-L551 PolarHBondContact NE1-O 3.17Å; L551-I556 HydrophobicContact CB-CD1 3.93Å; L551-I556 HydrophobicContact CB-CG1 4.45Å; L551-W624 HydrophobicContact CD1-CB 3.97Å; L551-W624 HydrophobicContact CD1-CD2 3.49Å; L551-W624 VanDerWaalsContact CD1-CD2 3.49Å; L551-W624 HydrophobicContact CD1-CE3 3.86Å; L551-W624 HydrophobicContact CD1-CG 3.54Å
552	D	93.6	Very high	93.4	Very high	61 Å²	61	51.5 Å²	51.5	33%	0.326	27%	0.27	S	S	.	.			trans	-71.3	140.6	178.9	-179.4	-96.6	0	0	0	111.9	S541 H550 E554 F555 I556	S541-D552 WeakPolarHBondContact CB-OD2 3.27Å; S541-D552 PolarHBondContact OG-OD2 3.05Å; H550-D552 PolarHBondContact O-N 3.48Å; D552-E554 WeakPolarHBondContact OD1-CA 3.46Å; D552-E554 WeakPolarHBondContact OD1-CB 3.23Å; D552-E554 PolarHBondContact OD1-N 3.12Å; D552-F555 HydrophobicContact CB-CB 4.25Å; D552-F555 PolarHBondContact O-N 2.83Å; D552-F555 PolarHBondContact OD1-N 2.93Å; D552-I556 WeakPolarHBondContact O-CG1 3.49Å; D552-I556 PolarHBondContact O-N 3.08Å; D552-I556 VanDerWaalsContact O-N 3.11Å
553	I	97.1	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-36.1	-177.3	-59.2	-65.4	0	0	0	111.5	M506 F509 M510 W537 L540 S541 W544 I556 M557	M506-I553 HydrophobicContact SD-CG2 4.38Å; F509-I553 HydrophobicContact CE2-CD1 3.56Å; F509-I553 HydrophobicContact CZ-CD1 3.83Å; M510-I553 HydrophobicContact CG-CD1 4.37Å; M510-I553 HydrophobicContact SD-CD1 4.24Å; W537-I553 HydrophobicContact CD2-CG2 4.17Å; W537-I553 HydrophobicContact CE3-CG2 3.55Å; W537-I553 HydrophobicContact CZ3-CG2 4.05Å; L540-I553 HydrophobicContact CB-CG1 4.23Å; L540-I553 HydrophobicContact CB-CG2 4.31Å; L540-I553 HydrophobicContact CD1-CG2 4.45Å; S541-I553 WeakPolarHBondContact OG-CB 3.48Å; S541-I553 WeakPolarHBondContact OG-CG1 3.08Å; S541-I553 PolarHBondContact OG-N 3.42Å; S541-I553 VanDerWaalsContact OG-N 3.08Å; W544-I553 HydrophobicContact CB-CD1 4.33Å; W544-I553 HydrophobicContact CB-CG1 4.36Å; W544-I553 HydrophobicContact CG-CD1 3.98Å; W544-I553 HydrophobicContact CG-CG1 4.39Å; I553-I556 PolarHBondContact O-N 3.41Å; I553-M557 HydrophobicContact CG2-CG 3.78Å; I553-M557 VanDerWaalsContact O-CB 3.28Å; I553-M557 WeakPolarHBondContact O-CB 3.4Å; I553-M557 VanDerWaalsContact O-CG 3.31Å; I553-M557 WeakPolarHBondContact O-CG 3.4Å; I553-M557 PolarHBondContact O-N 2.89Å
554	E	97.4	Very high	93.3	Very high	63 Å²	63	50 Å²	50	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-45.6	175.4	-177.5	172.9	-176.3	0	0	109.7	W537 D552 I556 M557 D558	W537-E554 HydrophobicContact CB-CB 3.97Å; W537-E554 HydrophobicContact CG-CB 4.04Å; D552-E554 WeakPolarHBondContact OD1-CA 3.46Å; D552-E554 WeakPolarHBondContact OD1-CB 3.23Å; D552-E554 PolarHBondContact OD1-N 3.12Å; E554-I556 VanDerWaalsContact C-N 3.32Å; E554-I556 PolarHBondContact O-N 3.13Å; E554-M557 PolarHBondContact O-N 3.35Å; E554-D558 WeakPolarHBondContact O-CB 3.21Å; E554-D558 PolarHBondContact O-N 3.16Å
555	F	96.7	Very high	93.4	Very high	112 Å²	112	49.5 Å²	49.5	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-56.7	-44.8	176.4	178.2	-121.9	0	0	0	112.4	D552 I604 V626	D552-F555 HydrophobicContact CB-CB 4.25Å; D552-F555 PolarHBondContact O-N 2.83Å; D552-F555 PolarHBondContact OD1-N 2.93Å; F555-I604 HydrophobicContact CD1-CD1 3.45Å; F555-I604 VanDerWaalsContact CD1-CD1 3.45Å; F555-I604 HydrophobicContact CD2-CD1 4.01Å; F555-I604 HydrophobicContact CE1-CD1 3.2Å; F555-I604 HydrophobicContact CE2-CD1 3.77Å; F555-I604 HydrophobicContact CG-CD1 3.87Å; F555-I604 HydrophobicContact CZ-CD1 3.37Å; F555-I604 WeakPolarHBondContact O-CD1 3.28Å; F555-V626 HydrophobicContact CE1-CG1 3.94Å; F555-V626 HydrophobicContact CZ-CG1 3.98Å
556	I	97.8	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-57.7	176.4	-63	160.6	0	0	0	110.1	L551 D552 I553 E554 D558 S559 I604 W624	L551-I556 HydrophobicContact CB-CD1 3.93Å; L551-I556 HydrophobicContact CB-CG1 4.45Å; D552-I556 WeakPolarHBondContact O-CG1 3.49Å; D552-I556 PolarHBondContact O-N 3.08Å; D552-I556 VanDerWaalsContact O-N 3.11Å; I553-I556 PolarHBondContact O-N 3.41Å; E554-I556 VanDerWaalsContact C-N 3.32Å; E554-I556 PolarHBondContact O-N 3.13Å; I556-D558 PolarHBondContact O-N 3.45Å; I556-S559 WeakPolarHBondContact O-CB 3.4Å; I556-S559 PolarHBondContact O-N 3.21Å; I556-S559 PolarHBondContact O-OG 2.9Å; I556-I604 HydrophobicContact CB-CG2 4.5Å; I556-I604 HydrophobicContact CG1-CG2 4Å; I556-I604 HydrophobicContact CG2-CB 4.4Å; I556-I604 HydrophobicContact CG2-CG2 4.36Å; I556-W624 HydrophobicContact CD1-CH2 3.65Å; I556-W624 HydrophobicContact CD1-CZ2 4.46Å; I556-W624 HydrophobicContact CD1-CZ3 3.73Å; I556-W624 HydrophobicContact CG1-CH2 4.49Å; I556-W624 HydrophobicContact CG1-CZ3 4.09Å; I556-W624 HydrophobicContact CG2-CZ3 4.16Å
557	M	98.3	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-78.3	-24	-164.1	-63.3	-52.3	-59.5	0	0	113.8	L502 M505 M506 F509 W537 I553 E554 S559 W560 T561	L502-M557 HydrophobicContact CB-CE 3.83Å; L502-M557 HydrophobicContact CD1-CE 4.36Å; L502-M557 HydrophobicContact CD2-CE 4.24Å; L502-M557 HydrophobicContact CG-CE 4.36Å; M505-M557 HydrophobicContact CE-CE 4.32Å; M505-M557 HydrophobicContact CE-SD 4.24Å; M506-M557 HydrophobicContact CE-CE 4.3Å; M506-M557 HydrophobicContact CG-CE 3.87Å; M506-M557 HydrophobicContact CG-CG 4.21Å; M506-M557 HydrophobicContact CG-SD 3.62Å; M506-M557 HydrophobicContact SD-CE 3.86Å; M506-M557 HydrophobicContact SD-CG 3.69Å; M506-M557 HydrophobicContact SD-SD 3.85Å; F509-M557 HydrophobicContact CE1-SD 4.32Å; W537-M557 HydrophobicContact CD2-CB 4.36Å; W537-M557 HydrophobicContact CE3-CB 4.41Å; W537-M557 HydrophobicContact CE3-CG 4.41Å; W537-M557 HydrophobicContact CH2-CB 3.41Å; W537-M557 VanDerWaalsContact CH2-CB 3.41Å; W537-M557 HydrophobicContact CH2-CE 4.32Å; W537-M557 HydrophobicContact CH2-CG 3.7Å; W537-M557 HydrophobicContact CZ2-CB 3.34Å; W537-M557 HydrophobicContact CZ2-CG 4.15Å; W537-M557 HydrophobicContact CZ3-CB 4Å; W537-M557 HydrophobicContact CZ3-CG 3.88Å; I553-M557 HydrophobicContact CG2-CG 3.78Å; I553-M557 VanDerWaalsContact O-CB 3.28Å; I553-M557 WeakPolarHBondContact O-CB 3.4Å; I553-M557 VanDerWaalsContact O-CG 3.31Å; I553-M557 WeakPolarHBondContact O-CG 3.4Å; I553-M557 PolarHBondContact O-N 2.89Å; E554-M557 PolarHBondContact O-N 3.35Å; M557-S559 PolarHBondContact O-N 3.28Å; M557-W560 HydrophobicContact CE-CB 4.25Å; M557-W560 HydrophobicContact CE-CG 4.5Å; M557-W560 WeakPolarHBondContact O-CA 3.42Å; M557-W560 WeakPolarHBondContact O-CB 3.48Å; M557-W560 PolarHBondContact O-N 3.3Å; M557-T561 PolarHBondContact O-N 3.21Å; M557-T561 PolarHBondContact O-OG1 3.43Å
558	D	97.5	Very high	94.3	Very high	40 Å²	40	36.9 Å²	36.9	21%	0.214	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-35.6	169.7	-86.8	1	0	0	0	111.6	E554 I556 W560 K562	E554-D558 WeakPolarHBondContact O-CB 3.21Å; E554-D558 PolarHBondContact O-N 3.16Å; I556-D558 PolarHBondContact O-N 3.45Å; D558-W560 PolarHBondContact O-N 3.42Å; D558-W560 VanDerWaalsContact O-N 3.13Å; D558-K562 HydrophobicContact CB-CD 4.13Å; D558-K562 WeakPolarHBondContact O-CB 3.46Å; D558-K562 PolarHBondContact O-N 2.78Å; D558-K562 WeakPolarHBondContact OD1-CE 3.23Å; D558-K562 IonicContact OD1-NZ 3.16Å; D558-K562 PolarHBondContact OD1-NZ 2.84Å; D558-K562 IonicContact OD2-NZ 3.56Å; D558-K562 PolarHBondContact OD2-NZ 3.3Å
559	S	97.3	Very high	95	Very high	18 Å²	18	34.6 Å²	34.6	13%	0.126	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-10.9	174.2	82.1	0	0	0	0	113.4	I556 M557 Q563 I604	I556-S559 WeakPolarHBondContact O-CB 3.4Å; I556-S559 PolarHBondContact O-N 3.21Å; I556-S559 PolarHBondContact O-OG 2.9Å; M557-S559 PolarHBondContact O-N 3.28Å; S559-Q563 VanDerWaalsContact O-CG 3.27Å; S559-Q563 WeakPolarHBondContact O-CG 3.4Å; S559-Q563 PolarHBondContact O-NE2 3.26Å; S559-I604 PolarHBondContact OG-N 3.08Å
560	W	98.2	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-110.2	-41.1	179	-66.2	96	0	0	0	113.3	L502 M505 M557 D558 P567 W603 I604 I605 L651	L502-W560 HydrophobicContact CD1-CB 3.9Å; L502-W560 HydrophobicContact CD2-CB 3.65Å; L502-W560 HydrophobicContact CD2-CD2 3.91Å; L502-W560 HydrophobicContact CD2-CE3 3.72Å; L502-W560 HydrophobicContact CD2-CG 3.9Å; L502-W560 HydrophobicContact CG-CB 4.43Å; M505-W560 HydrophobicContact CE-CD2 3.8Å; M505-W560 HydrophobicContact CE-CE3 4.38Å; M505-W560 HydrophobicContact CE-CG 4.07Å; M505-W560 HydrophobicContact CE-CH2 4.5Å; M505-W560 HydrophobicContact CE-CZ2 3.93Å; M505-W560 HydrophobicContact SD-CH2 4.26Å; M505-W560 HydrophobicContact SD-CZ2 3.99Å; M557-W560 HydrophobicContact CE-CB 4.25Å; M557-W560 HydrophobicContact CE-CG 4.5Å; M557-W560 WeakPolarHBondContact O-CA 3.42Å; M557-W560 WeakPolarHBondContact O-CB 3.48Å; M557-W560 PolarHBondContact O-N 3.3Å; D558-W560 PolarHBondContact O-N 3.42Å; D558-W560 VanDerWaalsContact O-N 3.13Å; W560-P567 HydrophobicContact CH2-CG 3.93Å; W560-P567 HydrophobicContact CZ3-CG 4.27Å; W560-W603 AromaticContact CD2-CD1 3.69Å; W560-W603 AromaticContact CE3-CD1 3.49Å; W560-W603 VanDerWaalsContact CE3-CD1 3.49Å; W560-W603 HydrophobicContact CE3-CG 4.45Å; W560-W603 HydrophobicContact CH2-CB 4.32Å; W560-W603 HydrophobicContact CH2-CG 4.44Å; W560-W603 HydrophobicContact CZ2-CB 4.05Å; W560-W603 AromaticContact CZ3-CD1 3.75Å; W560-W603 HydrophobicContact CZ3-CG 4.39Å; W560-I604 PolarHBondContact NE1-O 2.68Å; W560-I605 HydrophobicContact CH2-CG1 4.31Å; W560-I605 HydrophobicContact CZ2-CB 4.33Å; W560-I605 HydrophobicContact CZ2-CG1 3.95Å; W560-I605 HydrophobicContact CZ2-CG2 4.33Å; W560-L651 HydrophobicContact CZ3-CB 4.12Å; W560-L651 WeakPolarHBondContact CZ3-O 3.47Å
561	T	97.9	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-85.6	-32.9	-171.8	57.2	0	0	0	0	112.9	W430 P476 V477 I478 L502 W537 M557	W430-T561 HydrophobicContact CZ2-CG2 4.36Å; P476-T561 WeakPolarHBondContact CB-O 3.37Å; V477-T561 PolarHBondContact N-O 2.88Å; I478-T561 HydrophobicContact CD1-CG2 4.44Å; I478-T561 PolarHBondContact N-O 3.25Å; L502-T561 HydrophobicContact CD1-CG2 3.92Å; W537-T561 HydrophobicContact CH2-CG2 4.45Å; W537-T561 HydrophobicContact CZ2-CG2 4.06Å; M557-T561 PolarHBondContact O-N 3.21Å; M557-T561 PolarHBondContact O-OG1 3.43Å
562	K	96	Very high	96.8	Very high	87 Å²	87	27.1 Å²	27.1	38%	0.378	13%	0.126	S	C	.	.	S	Bend	trans	-91.7	4.4	-175.4	-62.7	178.1	178.1	164.6	0	113.9	E533 D558	E533-K562 IonicContact OE1-NZ 3.47Å; D558-K562 HydrophobicContact CB-CD 4.13Å; D558-K562 WeakPolarHBondContact O-CB 3.46Å; D558-K562 PolarHBondContact O-N 2.78Å; D558-K562 WeakPolarHBondContact OD1-CE 3.23Å; D558-K562 IonicContact OD1-NZ 3.16Å; D558-K562 PolarHBondContact OD1-NZ 2.84Å; D558-K562 IonicContact OD2-NZ 3.56Å; D558-K562 PolarHBondContact OD2-NZ 3.3Å
563	Q	94.2	Very high	96.8	Very high	30 Å²	30	26.8 Å²	26.8	14%	0.14	12%	0.12	C	C	.	.	S	Bend	trans	-133.6	156.5	174.7	66.3	-177.4	10	0	0	113.7	K498 S559 Y601 S602	K498-Q563 PolarHBondContact NZ-O 3.5Å; S559-Q563 VanDerWaalsContact O-CG 3.27Å; S559-Q563 WeakPolarHBondContact O-CG 3.4Å; S559-Q563 PolarHBondContact O-NE2 3.26Å; Q563-Y601 HydrophobicContact CB-CD1 4.15Å; Q563-Y601 HydrophobicContact CB-CE1 4.12Å; Q563-Y601 HydrophobicContact CG-CD1 4.47Å; Q563-S602 PolarHBondContact NE2-O 3.37Å
564	M	93.3	Very high	96.3	Very high	36 Å²	36	31.4 Å²	31.4	18%	0.177	14%	0.141	C	C	.	.	S	Bend	trans	-81.8	162.7	179.9	62.2	-178.3	82.9	0	0	112.3	R585 Y601	M564-R585 PolarHBondContact SD-NH2 3.1Å; M564-Y601 WeakPolarHBondContact CE-OH 3.19Å; M564-Y601 HydrophobicContact CG-CE1 3.71Å; M564-Y601 WeakPolarHBondContact CG-OH 3.29Å; M564-Y601 PolarHBondContact SD-OH 3.23Å
565	N	95.7	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	59.9	-161.3	178.3	-44.7	117.1	0	0	0	113.4	D469 S471 K498 R585 L587	D469-N565 VanDerWaalsContact CG-CA 3.44Å; D469-N565 WeakPolarHBondContact O-CA 3.22Å; D469-N565 PolarHBondContact O-ND2 3.21Å; D469-N565 WeakPolarHBondContact OD1-CA 3.32Å; D469-N565 PolarHBondContact OD1-N 3.29Å; D469-N565 PolarHBondContact OD1-ND2 3.11Å; D469-N565 WeakPolarHBondContact OD2-CA 3.42Å; D469-N565 PolarHBondContact OD2-N 2.75Å; S471-N565 PolarHBondContact O-ND2 3.14Å; K498-N565 WeakPolarHBondContact CE-O 3.42Å; K498-N565 PolarHBondContact NZ-O 3.27Å; N565-R585 HydrophobicContact CB-CG 4.33Å; N565-R585 PolarHBondContact OD1-NE 3.28Å; N565-R585 PolarHBondContact OD1-NH2 3.42Å; N565-L587 WeakPolarHBondContact OD1-CD2 3.32Å
566	Y	97.5	Very high	95	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	-152.3	164.3	-176.6	60.5	-97.5	0	0	0	109.6	L466 D469 T470 Y586 R653	L466-Y566 HydrophobicContact CD2-CD1 4.21Å; L466-Y566 HydrophobicContact CD2-CD2 3.81Å; L466-Y566 HydrophobicContact CD2-CE1 3.95Å; L466-Y566 HydrophobicContact CD2-CE2 3.55Å; L466-Y566 HydrophobicContact CD2-CG 4.14Å; L466-Y566 PolarHBondContact O-OH 3.34Å; D469-Y566 HydrophobicContact CB-CD1 4.26Å; D469-Y566 HydrophobicContact CB-CE1 4.36Å; D469-Y566 WeakPolarHBondContact O-CE1 3.49Å; T470-Y566 HydrophobicContact CG2-CE1 4.09Å; T470-Y566 WeakPolarHBondContact CG2-OH 3.45Å; Y566-Y586 AromaticContact CE2-CD1 3.65Å; Y566-Y586 HydrophobicContact CE2-CD1 3.65Å; Y566-Y586 AromaticContact CE2-CG 3.91Å; Y566-Y586 HydrophobicContact CE2-CG 3.91Å; Y566-Y586 AromaticContact CZ-CD1 3.53Å; Y566-Y586 PolarHBondContact O-N 3.37Å; Y566-Y586 WeakPolarHBondContact OH-CD1 3.27Å; Y566-Y586 WeakPolarHBondContact OH-CE1 3.38Å; Y566-R653 HydrophobicContact CE2-CG 3.87Å; Y566-R653 PolarHBondContact OH-NE 2.68Å
567	P	97.7	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	150.4	-176.5	27.6	-26.8	0	0	0	113.4	W560 Q583 T584 W603 I605 Y652 R653	W560-P567 HydrophobicContact CH2-CG 3.93Å; W560-P567 HydrophobicContact CZ3-CG 4.27Å; P567-Q583 HydrophobicContact CB-CB 4.26Å; P567-T584 CarbonylContact C-O 3.55Å; P567-T584 WeakPolarHBondContact CA-O 3.35Å; P567-W603 HydrophobicContact CB-CD2 3.89Å; P567-W603 HydrophobicContact CB-CE3 3.56Å; P567-W603 HydrophobicContact CB-CG 4.37Å; P567-W603 HydrophobicContact CB-CZ3 4.03Å; P567-W603 HydrophobicContact CG-CB 4Å; P567-W603 HydrophobicContact CG-CD2 3.8Å; P567-W603 HydrophobicContact CG-CE3 4.02Å; P567-W603 HydrophobicContact CG-CG 3.81Å; P567-I605 HydrophobicContact CB-CD1 3.9Å; P567-I605 HydrophobicContact CG-CD1 3.51Å; P567-I605 HydrophobicContact CG-CG1 4.17Å; P567-Y652 WeakPolarHBondContact O-CB 3.32Å; P567-R653 PolarHBondContact O-N 2.75Å
568	L	98	Very high	94.4	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.6	153.8	179	65.5	0	0	0	108.1	I570 Q583 T584 Y586 R653 H655 L690 I695	L568-I570 HydrophobicContact CD2-CD1 4.47Å; L568-I570 HydrophobicContact CD2-CG1 4.2Å; L568-I570 HydrophobicContact CG-CG1 4.14Å; L568-Q583 WeakPolarHBondContact O-CA 3.37Å; L568-T584 PolarHBondContact N-O 2.97Å; L568-T584 PolarHBondContact O-N 3.21Å; L568-Y586 HydrophobicContact CB-CD2 3.99Å; L568-Y586 HydrophobicContact CD1-CD2 4.31Å; L568-Y586 HydrophobicContact CD2-CD2 4.26Å; L568-Y586 HydrophobicContact CG-CD2 4.43Å; L568-R653 HydrophobicContact CD1-CB 3.72Å; L568-H655 HydrophobicContact CD1-CB 3.91Å; L568-H655 HydrophobicContact CD2-CB 4.22Å; L568-H655 HydrophobicContact CG-CB 4.22Å; L568-L690 HydrophobicContact CD1-CD2 3.85Å; L568-L690 HydrophobicContact CD2-CD2 4.27Å; L568-I695 HydrophobicContact CD2-CD1 4.07Å
569	V	98.5	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.4	174.2	178.3	0	0	0	0	108.9	F581 I605 I607 L644 Y652 R653 V654 H655	V569-F581 HydrophobicContact CG1-CD1 4.21Å; V569-I605 HydrophobicContact CG2-CD1 3.61Å; V569-I607 HydrophobicContact CG1-CD1 4.07Å; V569-L644 HydrophobicContact CG1-CD2 4.04Å; V569-Y652 HydrophobicContact CB-CD2 3.98Å; V569-Y652 HydrophobicContact CB-CE2 4.27Å; V569-Y652 HydrophobicContact CG2-CD2 3.47Å; V569-Y652 VanDerWaalsContact CG2-CD2 3.47Å; V569-Y652 HydrophobicContact CG2-CE2 3.92Å; V569-Y652 HydrophobicContact CG2-CG 4.02Å; V569-R653 PolarHBondContact N-O 2.79Å; V569-V654 WeakPolarHBondContact O-CA 3.19Å; V569-H655 PolarHBondContact O-N 2.88Å
570	I	98.4	Very high	94.3	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.2	177.9	-53.3	171.1	0	0	0	108.4	L568 F581 E582 T584 H655	L568-I570 HydrophobicContact CD2-CD1 4.47Å; L568-I570 HydrophobicContact CD2-CG1 4.2Å; L568-I570 HydrophobicContact CG-CG1 4.14Å; I570-F581 CarbonylContact O-C 3.58Å; I570-F581 WeakPolarHBondContact O-CA 3.36Å; I570-E582 HydrophobicContact CB-CB 4.35Å; I570-E582 PolarHBondContact N-O 3.35Å; I570-E582 PolarHBondContact O-N 2.89Å; I570-T584 HydrophobicContact CD1-CG2 4.14Å; I570-H655 VanDerWaalsContact CA-O 3.31Å; I570-H655 WeakPolarHBondContact CA-O 3.36Å; I570-H655 HydrophobicContact CG1-CB 4.33Å
571	V	97.6	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.3	-179.4	58.1	0	0	0	0	111.1	F579 C580 F581 Y642 L644 V654 H655 Y656 A657	V571-F579 HydrophobicContact CG2-CB 4.46Å; V571-F579 HydrophobicContact CG2-CD1 4.14Å; V571-C580 WeakPolarHBondContact CA-O 3.08Å; V571-F581 HydrophobicContact CB-CD1 4.29Å; V571-F581 HydrophobicContact CB-CE1 4.38Å; V571-F581 HydrophobicContact CG2-CD1 4.2Å; V571-F581 HydrophobicContact CG2-CE1 3.99Å; V571-F581 HydrophobicContact CG2-CE2 4.28Å; V571-F581 HydrophobicContact CG2-CG 4.49Å; V571-F581 HydrophobicContact CG2-CZ 4.01Å; V571-Y642 HydrophobicContact CB-CE2 4.3Å; V571-Y642 HydrophobicContact CG1-CE2 3.63Å; V571-Y642 HydrophobicContact CG2-CE2 3.7Å; V571-Y642 PolarHBondContact O-OH 3.15Å; V571-L644 HydrophobicContact CB-CD2 4.14Å; V571-L644 HydrophobicContact CG1-CD1 4.03Å; V571-L644 HydrophobicContact CG1-CD2 3.98Å; V571-V654 HydrophobicContact CG1-CG1 4.31Å; V571-H655 PolarHBondContact N-O 3.49Å; V571-Y656 HydrophobicContact CG1-CD1 3.46Å; V571-Y656 VanDerWaalsContact CG1-CD1 3.46Å; V571-Y656 HydrophobicContact CG1-CE1 4.03Å; V571-Y656 HydrophobicContact CG1-CG 4.23Å; V571-A657 PolarHBondContact O-N 3.33Å
572	R	95.3	Very high	94.3	Very high	102 Å²	102	38.7 Å²	38.7	39%	0.385	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	179.2	-58.5	-177.4	-173.2	96.5	-3.8	109.4	F579 C580 E582	R572-F579 CarbonylContact O-C 3.58Å; R572-F579 WeakPolarHBondContact O-CA 3.38Å; R572-C580 PolarHBondContact N-O 2.91Å; R572-C580 PolarHBondContact O-N 3.47Å; R572-E582 IonicContact CZ-OE2 3.77Å; R572-E582 IonicContact NH1-OE2 2.85Å; R572-E582 PolarHBondContact NH1-OE2 2.85Å; R572-E582 IonicContact NH2-OE2 3.93Å
573	R	92.5	Very high	94.4	Very high	54 Å²	54	35 Å²	35	20%	0.204	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.7	173.3	-172.9	-175.7	-66.5	175.9	-3.9	109.2	F579 S637 S638 D640 Y642	R573-F579 HydrophobicContact CB-CD1 4.1Å; R573-F579 HydrophobicContact CB-CE1 4Å; R573-F579 HydrophobicContact CG-CD1 4.35Å; R573-F579 HydrophobicContact CG-CE1 4.04Å; R573-F579 HydrophobicContact CG-CE2 4.36Å; R573-F579 HydrophobicContact CG-CZ 4.05Å; R573-S637 PolarHBondContact NH1-O 3.17Å; R573-S637 PolarHBondContact NH2-O 2.92Å; R573-S638 VanDerWaalsContact NH1-C 3.33Å; R573-S638 PolarHBondContact NH1-O 2.94Å; R573-S638 VanDerWaalsContact NH1-O 3.08Å; R573-D640 PolarHBondContact NH2-O 3.02Å; R573-D640 VanDerWaalsContact NH2-O 3.1Å; R573-Y642 VanDerWaalsContact NH2-CD1 3.29Å
574	H	87.4	Confident	94.5	Very high	97 Å²	97	36 Å²	36	45%	0.449	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114	172.9	-76.8	-91	0	0	0	109.6	M578 C580	H574-M578 HydrophobicContact CB-CE 3.77Å; H574-M578 PolarHBondContact N-O 2.9Å; H574-M578 WeakPolarHBondContact O-CB 3.06Å; H574-C580 PolarHBondContact CD2-SG 3.17Å
575	G	84.1	Confident	94.5	Very high	69 Å²	69	36 Å²	36	71%	0.711	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	-150.8	-174.7	0	0	0	0	0	112.9
576	S	82.2	Confident	94.4	Very high	81 Å²	81	36.2 Å²	36.2	57%	0.566	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-51.2	-176.1	50	0	0	0	0	113
577	N	88.7	Confident	94.1	Very high	54 Å²	54	37.9 Å²	37.9	29%	0.289	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-2.7	-165.6	-67	-10.9	0	0	0	114.8	F579 T633 M634	N577-F579 WeakPolarHBondContact O-CD2 3.45Å; N577-T633 HydrophobicContact CB-CG2 4.08Å; N577-T633 CarbonylContact O-C 3.56Å; N577-T633 WeakPolarHBondContact O-CA 3.48Å; N577-M634 WeakPolarHBondContact CA-O 3.4Å; N577-M634 WeakPolarHBondContact CB-O 3.32Å; N577-M634 PolarHBondContact O-N 3.36Å
578	M	94.7	Very high	93.3	Very high	86 Å²	86	42.4 Å²	42.4	42%	0.424	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.8	-178.6	-174.2	173.3	66.6	0	0	110.3	H574	H574-M578 HydrophobicContact CB-CE 3.77Å; H574-M578 PolarHBondContact N-O 2.9Å; H574-M578 WeakPolarHBondContact O-CB 3.06Å
579	F	96.3	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.4	179.5	-67	-106.7	0	0	0	109.6	V571 R572 R573 N577 F581 N631 Q632 M634 I636 Y642	V571-F579 HydrophobicContact CG2-CB 4.46Å; V571-F579 HydrophobicContact CG2-CD1 4.14Å; R572-F579 CarbonylContact O-C 3.58Å; R572-F579 WeakPolarHBondContact O-CA 3.38Å; R573-F579 HydrophobicContact CB-CD1 4.1Å; R573-F579 HydrophobicContact CB-CE1 4Å; R573-F579 HydrophobicContact CG-CD1 4.35Å; R573-F579 HydrophobicContact CG-CE1 4.04Å; R573-F579 HydrophobicContact CG-CE2 4.36Å; R573-F579 HydrophobicContact CG-CZ 4.05Å; N577-F579 WeakPolarHBondContact O-CD2 3.45Å; F579-F581 HydrophobicContact CB-CD2 4.36Å; F579-F581 HydrophobicContact CB-CE2 3.65Å; F579-F581 HydrophobicContact CB-CZ 4.37Å; F579-N631 WeakPolarHBondContact O-CA 3.23Å; F579-Q632 PolarHBondContact N-O 3.06Å; F579-Q632 PolarHBondContact O-N 3.47Å; F579-M634 HydrophobicContact CB-CE 3.57Å; F579-M634 HydrophobicContact CD1-CE 3.26Å; F579-M634 HydrophobicContact CD2-CB 3.79Å; F579-M634 HydrophobicContact CD2-CE 3.36Å; F579-M634 HydrophobicContact CD2-CG 4.05Å; F579-M634 HydrophobicContact CE1-CE 3.62Å; F579-M634 HydrophobicContact CE2-CB 3.67Å; F579-M634 HydrophobicContact CE2-CE 3.76Å; F579-M634 HydrophobicContact CE2-CG 4.38Å; F579-M634 HydrophobicContact CG-CE 3.11Å; F579-M634 HydrophobicContact CZ-CB 4.46Å; F579-M634 HydrophobicContact CZ-CE 3.85Å; F579-I636 HydrophobicContact CZ-CB 4.19Å; F579-I636 HydrophobicContact CZ-CD1 4.08Å; F579-Y642 HydrophobicContact CD1-CD2 4.46Å; F579-Y642 HydrophobicContact CD1-CE1 4.47Å; F579-Y642 HydrophobicContact CD1-CE2 4.12Å; F579-Y642 AromaticContact CE1-CD1 3.77Å; F579-Y642 HydrophobicContact CE1-CD1 3.77Å; F579-Y642 HydrophobicContact CE1-CD2 4Å; F579-Y642 AromaticContact CE1-CE1 3.72Å; F579-Y642 HydrophobicContact CE1-CE1 3.72Å; F579-Y642 AromaticContact CE1-CE2 3.95Å; F579-Y642 HydrophobicContact CE1-CE2 3.95Å; F579-Y642 AromaticContact CE1-CG 3.92Å; F579-Y642 HydrophobicContact CE1-CG 3.92Å; F579-Y642 AromaticContact CE1-CZ 3.83Å; F579-Y642 HydrophobicContact CZ-CD1 4.47Å
580	C	97	Very high	89.5	Confident	26 Å²	26	48.6 Å²	48.6	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.1	178.2	-61.7	0	0	0	0	108.4	V571 R572 H574 N631	V571-C580 WeakPolarHBondContact CA-O 3.08Å; R572-C580 PolarHBondContact N-O 2.91Å; R572-C580 PolarHBondContact O-N 3.47Å; H574-C580 PolarHBondContact CD2-SG 3.17Å; C580-N631 PolarHBondContact SG-OD1 2.83Å
581	F	98	Very high	87.1	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.9	178.3	-63.7	-110.1	0	0	0	108.9	V569 I570 V571 F579 I607 L623 M625 T629 M630 Q632 M634 L644	V569-F581 HydrophobicContact CG1-CD1 4.21Å; I570-F581 CarbonylContact O-C 3.58Å; I570-F581 WeakPolarHBondContact O-CA 3.36Å; V571-F581 HydrophobicContact CB-CD1 4.29Å; V571-F581 HydrophobicContact CB-CE1 4.38Å; V571-F581 HydrophobicContact CG2-CD1 4.2Å; V571-F581 HydrophobicContact CG2-CE1 3.99Å; V571-F581 HydrophobicContact CG2-CE2 4.28Å; V571-F581 HydrophobicContact CG2-CG 4.49Å; V571-F581 HydrophobicContact CG2-CZ 4.01Å; F579-F581 HydrophobicContact CB-CD2 4.36Å; F579-F581 HydrophobicContact CB-CE2 3.65Å; F579-F581 HydrophobicContact CB-CZ 4.37Å; F581-I607 HydrophobicContact CD1-CD1 3.83Å; F581-I607 HydrophobicContact CE1-CD1 4.1Å; F581-I607 HydrophobicContact CE1-CG2 4.25Å; F581-L623 HydrophobicContact CZ-CD1 4.35Å; F581-M625 HydrophobicContact CB-CE 4.1Å; F581-M625 HydrophobicContact CB-SD 4.13Å; F581-T629 CarbonylContact O-C 3.59Å; F581-T629 VanDerWaalsContact O-CA 3.22Å; F581-T629 WeakPolarHBondContact O-CA 3.46Å; F581-M630 HydrophobicContact CB-CB 4.26Å; F581-M630 HydrophobicContact CB-CE 4.33Å; F581-M630 HydrophobicContact CD1-CE 4.23Å; F581-M630 HydrophobicContact CD2-CE 3.82Å; F581-M630 HydrophobicContact CE1-CE 4.48Å; F581-M630 HydrophobicContact CE2-CE 4.15Å; F581-M630 HydrophobicContact CG-CE 3.89Å; F581-M630 HydrophobicContact CZ-CE 4.46Å; F581-M630 PolarHBondContact N-O 3.1Å; F581-M630 PolarHBondContact O-N 2.94Å; F581-Q632 HydrophobicContact CD2-CB 4.45Å; F581-Q632 HydrophobicContact CE2-CB 3.89Å; F581-M634 HydrophobicContact CE2-CE 4.22Å; F581-M634 HydrophobicContact CZ-CE 3.86Å; F581-M634 HydrophobicContact CZ-SD 4.36Å; F581-L644 HydrophobicContact CD1-CD2 4.05Å; F581-L644 HydrophobicContact CE1-CD2 3.5Å; F581-L644 VanDerWaalsContact CE1-CD2 3.5Å; F581-L644 HydrophobicContact CE1-CG 4.27Å
582	E	98	Very high	84.6	Confident	66 Å²	66	62.3 Å²	62.3	31%	0.308	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139	175.9	177.2	-175	-175.9	0	0	107.7	I570 R572 T584 K628 T629	I570-E582 HydrophobicContact CB-CB 4.35Å; I570-E582 PolarHBondContact N-O 3.35Å; I570-E582 PolarHBondContact O-N 2.89Å; R572-E582 IonicContact CZ-OE2 3.77Å; R572-E582 IonicContact NH1-OE2 2.85Å; R572-E582 PolarHBondContact NH1-OE2 2.85Å; R572-E582 IonicContact NH2-OE2 3.93Å; E582-T584 HydrophobicContact CG-CG2 4.49Å; E582-K628 WeakPolarHBondContact CA-O 3.34Å; E582-T629 HydrophobicContact CB-CG2 4.48Å; E582-T629 HydrophobicContact CG-CG2 4.43Å
583	Q	97.5	Very high	82.1	Confident	11 Å²	11	65 Å²	65	5%	0.051	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.9	173.3	59.9	175.4	-62.2	0	0	110.5	P567 L568 W603 I605 M625 N627 K628	P567-Q583 HydrophobicContact CB-CB 4.26Å; L568-Q583 WeakPolarHBondContact O-CA 3.37Å; Q583-W603 PolarHBondContact NE2-O 3.37Å; Q583-W603 PolarHBondContact OE1-O 3.49Å; Q583-I605 HydrophobicContact CB-CD1 4.2Å; Q583-M625 HydrophobicContact CB-CE 3.92Å; Q583-M625 HydrophobicContact CB-SD 4.37Å; Q583-M625 HydrophobicContact CG-CE 3.79Å; Q583-N627 PolarHBondContact NE2-O 2.71Å; Q583-K628 HydrophobicContact CG-CB 4.46Å; Q583-K628 WeakPolarHBondContact CG-O 3.4Å; Q583-K628 PolarHBondContact N-O 3.24Å
584	T	95.4	Very high	80.1	Confident	50 Å²	50	65.1 Å²	65.1	31%	0.307	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.2	172.9	60.5	0	0	0	0	109.6	P567 L568 I570 E582 Y586	P567-T584 CarbonylContact C-O 3.55Å; P567-T584 WeakPolarHBondContact CA-O 3.35Å; L568-T584 PolarHBondContact N-O 2.97Å; L568-T584 PolarHBondContact O-N 3.21Å; I570-T584 HydrophobicContact CD1-CG2 4.14Å; E582-T584 HydrophobicContact CG-CG2 4.49Å; T584-Y586 PolarHBondContact O-N 3.46Å
585	R	93.8	Very high	78.4	Confident	37 Å²	37	67.8 Å²	67.8	14%	0.14	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.2	174.8	-179.1	176.5	175.2	-155.2	-1.4	109.6	M564 N565 L587 E597 W603	M564-R585 PolarHBondContact SD-NH2 3.1Å; N565-R585 HydrophobicContact CB-CG 4.33Å; N565-R585 PolarHBondContact OD1-NE 3.28Å; N565-R585 PolarHBondContact OD1-NH2 3.42Å; R585-L587 HydrophobicContact CG-CD1 4.4Å; R585-L587 HydrophobicContact CG-CD2 4.23Å; R585-L587 HydrophobicContact CG-CG 4Å; R585-E597 IonicContact NH1-OE1 3.78Å; R585-E597 PolarHBondContact NH1-OE1 3.24Å; R585-E597 IonicContact NH1-OE2 2.76Å; R585-E597 PolarHBondContact NH1-OE2 3.09Å; R585-W603 HydrophobicContact CB-CH2 3.78Å; R585-W603 HydrophobicContact CB-CZ3 4.17Å; R585-W603 HydrophobicContact CG-CH2 3.84Å
586	Y	94.7	Very high	76.9	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.016	39%	0.386	C	S	.	.			trans	-84.9	118.4	177.6	-167.9	-103.2	0	0	0	111.1	T470 Y566 L568 T584 S689 L690 H693 I695	T470-Y586 HydrophobicContact CG2-CD1 3.81Å; T470-Y586 HydrophobicContact CG2-CE1 3.88Å; Y566-Y586 AromaticContact CE2-CD1 3.65Å; Y566-Y586 HydrophobicContact CE2-CD1 3.65Å; Y566-Y586 AromaticContact CE2-CG 3.91Å; Y566-Y586 HydrophobicContact CE2-CG 3.91Å; Y566-Y586 AromaticContact CZ-CD1 3.53Å; Y566-Y586 PolarHBondContact O-N 3.37Å; Y566-Y586 WeakPolarHBondContact OH-CD1 3.27Å; Y566-Y586 WeakPolarHBondContact OH-CE1 3.38Å; L568-Y586 HydrophobicContact CB-CD2 3.99Å; L568-Y586 HydrophobicContact CD1-CD2 4.31Å; L568-Y586 HydrophobicContact CD2-CD2 4.26Å; L568-Y586 HydrophobicContact CG-CD2 4.43Å; T584-Y586 PolarHBondContact O-N 3.46Å; Y586-S689 WeakPolarHBondContact OH-CB 3.09Å; Y586-S689 PolarHBondContact OH-O 2.99Å; Y586-S689 PolarHBondContact OH-OG 3.43Å; Y586-L690 HydrophobicContact CE2-CD2 3.91Å; Y586-H693 PolarHBondContact OH-CE1 3.25Å; Y586-H693 VanDerWaalsContact OH-CE1 3.31Å; Y586-H693 PolarHBondContact OH-ND1 3.09Å; Y586-H693 VanDerWaalsContact OH-ND1 3.07Å; Y586-I695 HydrophobicContact CE2-CD1 3.98Å
587	L	90.7	Very high	75.7	Confident	35 Å²	35	70.1 Å²	70.1	18%	0.183	38%	0.378	C	S	.	.			trans	-131	152.4	-177.2	-69	177.3	0	0	0	112.3	T470 K472 N565 R585 H693	T470-L587 CarbonylContact O-C 3.53Å; T470-L587 VanDerWaalsContact O-CA 3.3Å; T470-L587 WeakPolarHBondContact O-CA 3.36Å; T470-L587 WeakPolarHBondContact O-CD2 3.26Å; K472-L587 HydrophobicContact CD-CD1 4.33Å; K472-L587 VanDerWaalsContact CE-CD1 3.48Å; K472-L587 HydrophobicContact CG-CD1 3.82Å; K472-L587 HydrophobicContact CG-CD2 4.11Å; N565-L587 WeakPolarHBondContact OD1-CD2 3.32Å; R585-L587 HydrophobicContact CG-CD1 4.4Å; R585-L587 HydrophobicContact CG-CD2 4.23Å; R585-L587 HydrophobicContact CG-CG 4Å; L587-H693 PolarHBondContact O-CD2 2.86Å
588	Q	81	Confident	74.5	Confident	94 Å²	94	75 Å²	75	44%	0.439	41%	0.405	S	S	.	.	S	Bend	trans	-71.8	137.7	167.4	-165.1	175.4	22.9	0	0	111.2	T470 C590 H693	T470-Q588 PolarHBondContact O-N 3.47Å; Q588-C590 PolarHBondContact O-N 2.92Å; Q588-C590 PolarHBondContact O-SG 3.49Å; Q588-H693 VanDerWaalsContact CA-NE2 3.35Å; Q588-H693 WeakPolarHBondContact CA-NE2 3.3Å
589	N	65.7	Low	73.5	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	42%	0.416	S	S	.	.			trans	-26.6	107.9	-178.8	-75.5	-4.5	0	0	0	112.2
590	C	50.1	Low	73	Confident	50 Å²	50	85.1 Å²	85.1	34%	0.338	45%	0.45	S	S	.	.			trans	-89.8	133.6	174.6	-64.8	0	0	0	0	108.2	K472 Q588 N592	K472-C590 WeakPolarHBondContact CE-SG 3.13Å; Q588-C590 PolarHBondContact O-N 2.92Å; Q588-C590 PolarHBondContact O-SG 3.49Å; C590-N592 PolarHBondContact O-N 2.73Å
591	D	47.5	Very low	72.8	Confident	137 Å²	137	85.6 Å²	85.6	73%	0.733	45%	0.449	S	S	*	.			trans	-52.8	130.2	157.2	-62.7	-45.5	0	0	0	107.2	N593 S594	D591-N593 PolarHBondContact O-N 3Å; D591-S594 PolarHBondContact O-N 2.88Å
592	N	45.1	Very low	72.7	Confident	165 Å²	165	87.1 Å²	87.1	88%	0.882	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-8.6	-179.7	-81.9	-14.7	0	0	0	113.8	C590 S594	C590-N592 PolarHBondContact O-N 2.73Å; N592-S594 PolarHBondContact O-N 3.37Å
593	N	44.4	Very low	72.7	Confident	158 Å²	158	84 Å²	84	85%	0.845	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	10.1	-177.6	-71.1	-7.8	0	0	0	115	D591	D591-N593 PolarHBondContact O-N 3Å
594	S	50.5	Low	72.7	Confident	57 Å²	57	83.9 Å²	83.9	40%	0.399	44%	0.444	S	S	.	.			trans	-73.4	131.9	175.1	52.8	0	0	0	0	112.1	K472 D591 N592	K472-S594 PolarHBondContact NZ-OG 2.87Å; D591-S594 PolarHBondContact O-N 2.88Å; N592-S594 PolarHBondContact O-N 3.37Å
595	L	50.3	Low	72.8	Confident	154 Å²	154	81.5 Å²	81.5	81%	0.806	43%	0.43	S	S	*	.			trans	-44.1	148.9	175.2	-71.6	160.4	0	0	0	112.8	E597	L595-E597 PolarHBondContact O-N 2.69Å
596	P	52.4	Low	73	Confident	111 Å²	111	80.1 Å²	80.1	72%	0.721	43%	0.426	S	S	*	.			trans	-52.6	130.9	175	-21.7	31.1	0	0	0	111.3	N598	P596-N598 PolarHBondContact O-N 2.8Å
597	E	58.9	Low	73.1	Confident	88 Å²	88	80 Å²	80	41%	0.411	43%	0.425	S	S	.	.			trans	-74.6	118.1	176	-66.3	-172.2	177.5	0	0	109.5	K472 R585 L595 H599	K472-E597 WeakPolarHBondContact CE-OE1 3.3Å; K472-E597 IonicContact NZ-OE1 2.73Å; K472-E597 PolarHBondContact NZ-OE1 2.99Å; R585-E597 IonicContact NH1-OE1 3.78Å; R585-E597 PolarHBondContact NH1-OE1 3.24Å; R585-E597 IonicContact NH1-OE2 2.76Å; R585-E597 PolarHBondContact NH1-OE2 3.09Å; L595-E597 PolarHBondContact O-N 2.69Å; E597-H599 VanDerWaalsContact C-N 3.26Å; E597-H599 PolarHBondContact O-N 2.88Å
598	N	63.4	Low	73.4	Confident	157 Å²	157	78.6 Å²	78.6	84%	0.84	42%	0.418	S	S	*	.			trans	-75.2	-12.8	174.9	-77.5	-9	0	0	0	113.5	P596	P596-N598 PolarHBondContact O-N 2.8Å
599	H	73.1	Confident	74	Confident	142 Å²	142	76.6 Å²	76.6	66%	0.657	41%	0.407	S	S	*	.	S	Bend	trans	-104.1	127.2	-176	-74.5	78.2	0	0	0	111.4	E597 Y601	E597-H599 VanDerWaalsContact C-N 3.26Å; E597-H599 PolarHBondContact O-N 2.88Å; H599-Y601 HydrophobicContact CB-CE2 4.04Å; H599-Y601 WeakPolarHBondContact O-CD2 3.19Å; H599-Y601 PolarHBondContact O-N 3.23Å
600	E	85.4	Confident	75.3	Confident	155 Å²	155	72.5 Å²	72.5	72%	0.724	39%	0.386	S	S	*	.			trans	-89.1	92.8	178.5	-166.2	174.5	-173.4	0	0	111.2	K628	E600-K628 VanDerWaalsContact CD-NZ 3.3Å; E600-K628 WeakPolarHBondContact OE1-CE 2.84Å; E600-K628 IonicContact OE1-NZ 2.69Å; E600-K628 PolarHBondContact OE1-NZ 3.48Å
601	Y	92.2	Very high	77.4	Confident	37 Å²	37	70.6 Å²	70.6	15%	0.145	37%	0.373	C	S	.	.			trans	-69.6	129	178.8	-66.2	-91.4	0	0	0	112.4	Q563 M564 H599 W603 K628	Q563-Y601 HydrophobicContact CB-CD1 4.15Å; Q563-Y601 HydrophobicContact CB-CE1 4.12Å; Q563-Y601 HydrophobicContact CG-CD1 4.47Å; M564-Y601 WeakPolarHBondContact CE-OH 3.19Å; M564-Y601 HydrophobicContact CG-CE1 3.71Å; M564-Y601 WeakPolarHBondContact CG-OH 3.29Å; M564-Y601 PolarHBondContact SD-OH 3.23Å; H599-Y601 HydrophobicContact CB-CE2 4.04Å; H599-Y601 WeakPolarHBondContact O-CD2 3.19Å; H599-Y601 PolarHBondContact O-N 3.23Å; Y601-W603 HydrophobicContact CD1-CH2 4.19Å; Y601-W603 HydrophobicContact CD1-CZ2 4.34Å; Y601-W603 HydrophobicContact CG-CH2 4.28Å; Y601-K628 WeakPolarHBondContact O-CE 3.31Å
602	S	96	Very high	79.5	Confident	34 Å²	34	66.1 Å²	66.1	24%	0.238	36%	0.355	C	S	.	.			trans	-153.7	145.2	171.4	-170.5	0	0	0	0	109.6	Q563	Q563-S602 PolarHBondContact NE2-O 3.37Å
603	W	97.9	Very high	81.6	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	34%	0.342	C	S	.	.			trans	-120.7	151	-179.9	-64.7	-98.7	0	0	0	110.5	W560 P567 Q583 R585 Y601 I605	W560-W603 AromaticContact CD2-CD1 3.69Å; W560-W603 AromaticContact CE3-CD1 3.49Å; W560-W603 VanDerWaalsContact CE3-CD1 3.49Å; W560-W603 HydrophobicContact CE3-CG 4.45Å; W560-W603 HydrophobicContact CH2-CB 4.32Å; W560-W603 HydrophobicContact CH2-CG 4.44Å; W560-W603 HydrophobicContact CZ2-CB 4.05Å; W560-W603 AromaticContact CZ3-CD1 3.75Å; W560-W603 HydrophobicContact CZ3-CG 4.39Å; P567-W603 HydrophobicContact CB-CD2 3.89Å; P567-W603 HydrophobicContact CB-CE3 3.56Å; P567-W603 HydrophobicContact CB-CG 4.37Å; P567-W603 HydrophobicContact CB-CZ3 4.03Å; P567-W603 HydrophobicContact CG-CB 4Å; P567-W603 HydrophobicContact CG-CD2 3.8Å; P567-W603 HydrophobicContact CG-CE3 4.02Å; P567-W603 HydrophobicContact CG-CG 3.81Å; Q583-W603 PolarHBondContact NE2-O 3.37Å; Q583-W603 PolarHBondContact OE1-O 3.49Å; R585-W603 HydrophobicContact CB-CH2 3.78Å; R585-W603 HydrophobicContact CB-CZ3 4.17Å; R585-W603 HydrophobicContact CG-CH2 3.84Å; Y601-W603 HydrophobicContact CD1-CH2 4.19Å; Y601-W603 HydrophobicContact CD1-CZ2 4.34Å; Y601-W603 HydrophobicContact CG-CH2 4.28Å; W603-I605 HydrophobicContact CB-CD1 4.24Å; W603-I605 HydrophobicContact CB-CG1 3.79Å
604	I	98	Very high	83.8	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.041	31%	0.313	C	S	.	.			trans	-95.7	108.3	169.1	-56.7	-174.7	0	0	0	108	F555 I556 S559 W560 W624 M625 V626	F555-I604 HydrophobicContact CD1-CD1 3.45Å; F555-I604 VanDerWaalsContact CD1-CD1 3.45Å; F555-I604 HydrophobicContact CD2-CD1 4.01Å; F555-I604 HydrophobicContact CE1-CD1 3.2Å; F555-I604 HydrophobicContact CE2-CD1 3.77Å; F555-I604 HydrophobicContact CG-CD1 3.87Å; F555-I604 HydrophobicContact CZ-CD1 3.37Å; F555-I604 WeakPolarHBondContact O-CD1 3.28Å; I556-I604 HydrophobicContact CB-CG2 4.5Å; I556-I604 HydrophobicContact CG1-CG2 4Å; I556-I604 HydrophobicContact CG2-CB 4.4Å; I556-I604 HydrophobicContact CG2-CG2 4.36Å; S559-I604 PolarHBondContact OG-N 3.08Å; W560-I604 PolarHBondContact NE1-O 2.68Å; I604-W624 HydrophobicContact CG2-CE3 4.06Å; I604-W624 HydrophobicContact CG2-CZ3 4.3Å; I604-M625 WeakPolarHBondContact CA-O 3.27Å; I604-V626 HydrophobicContact CD1-CG1 4.43Å; I604-V626 HydrophobicContact CG2-CG2 4.45Å
605	I	98.4	Very high	85.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.2	-164.3	-45.9	173.8	0	0	0	110.6	W560 P567 V569 Q583 W603 I607 M625 Y652	W560-I605 HydrophobicContact CH2-CG1 4.31Å; W560-I605 HydrophobicContact CZ2-CB 4.33Å; W560-I605 HydrophobicContact CZ2-CG1 3.95Å; W560-I605 HydrophobicContact CZ2-CG2 4.33Å; P567-I605 HydrophobicContact CB-CD1 3.9Å; P567-I605 HydrophobicContact CG-CD1 3.51Å; P567-I605 HydrophobicContact CG-CG1 4.17Å; V569-I605 HydrophobicContact CG2-CD1 3.61Å; Q583-I605 HydrophobicContact CB-CD1 4.2Å; W603-I605 HydrophobicContact CB-CD1 4.24Å; W603-I605 HydrophobicContact CB-CG1 3.79Å; I605-I607 HydrophobicContact CB-CG1 4.22Å; I605-I607 HydrophobicContact CG2-CG1 3.81Å; I605-I607 PolarHBondContact O-N 3.4Å; I605-M625 HydrophobicContact CB-CB 4.25Å; I605-M625 HydrophobicContact CD1-SD 4.34Å; I605-M625 PolarHBondContact N-O 2.65Å; I605-M625 PolarHBondContact O-N 2.86Å; I605-Y652 HydrophobicContact CG2-CD1 3.52Å; I605-Y652 HydrophobicContact CG2-CE1 3.42Å; I605-Y652 VanDerWaalsContact CG2-CE1 3.42Å; I605-Y652 HydrophobicContact CG2-CG 4.16Å
606	P	97.1	Very high	87.2	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	106.2	165.3	29.5	-29.9	0	0	0	109.3	M505 F509 I622 W624	M505-P606 HydrophobicContact CG-CG 3.96Å; M505-P606 HydrophobicContact SD-CG 4Å; F509-P606 HydrophobicContact CB-CB 4.22Å; F509-P606 HydrophobicContact CB-CG 4.5Å; F509-P606 HydrophobicContact CD1-CG 4.06Å; P606-I622 HydrophobicContact CB-CG2 3.7Å; P606-W624 HydrophobicContact CB-CE3 4.17Å; P606-W624 HydrophobicContact CB-CH2 3.83Å; P606-W624 HydrophobicContact CB-CZ2 4.26Å; P606-W624 HydrophobicContact CB-CZ3 3.77Å; P606-W624 HydrophobicContact CG-CH2 4.32Å; P606-W624 HydrophobicContact CG-CZ3 4.16Å
607	I	97.4	Very high	89	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.5	-177.9	-59.5	176.3	0	0	0	109.8	V569 F581 I605 L623 M625 M630 L644	V569-I607 HydrophobicContact CG1-CD1 4.07Å; F581-I607 HydrophobicContact CD1-CD1 3.83Å; F581-I607 HydrophobicContact CE1-CD1 4.1Å; F581-I607 HydrophobicContact CE1-CG2 4.25Å; I605-I607 HydrophobicContact CB-CG1 4.22Å; I605-I607 HydrophobicContact CG2-CG1 3.81Å; I605-I607 PolarHBondContact O-N 3.4Å; I607-L623 HydrophobicContact CB-CB 4.31Å; I607-L623 WeakPolarHBondContact CB-O 3.48Å; I607-L623 PolarHBondContact N-O 3.26Å; I607-L623 PolarHBondContact O-N 3.22Å; I607-M625 HydrophobicContact CD1-CB 3.77Å; I607-M625 HydrophobicContact CD1-CG 4.48Å; I607-M625 HydrophobicContact CD1-SD 3.94Å; I607-M625 HydrophobicContact CG1-CB 4.43Å; I607-M630 HydrophobicContact CD1-CE 4.5Å; I607-L644 HydrophobicContact CG2-CB 4.28Å; I607-L644 HydrophobicContact CG2-CD2 3.89Å; I607-L644 HydrophobicContact CG2-CG 3.89Å
608	T	95.8	Very high	90.3	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.8	165.1	57	0	0	0	0	110.4	A620 D621 I622 L644 N645 V646	T608-A620 HydrophobicContact CG2-CB 4.37Å; T608-D621 WeakPolarHBondContact CA-O 3.26Å; T608-I622 HydrophobicContact CG2-CG1 4.01Å; T608-L644 CarbonylContact O-C 3.03Å; T608-L644 VanDerWaalsContact O-CA 3.27Å; T608-L644 WeakPolarHBondContact O-CA 3.29Å; T608-N645 PolarHBondContact O-N 3.46Å; T608-N645 WeakPolarHBondContact OG1-CA 3.45Å; T608-V646 PolarHBondContact OG1-N 3.32Å; T608-V646 PolarHBondContact OG1-O 2.96Å
609	Y	94.5	Very high	91.1	Very high	52 Å²	52	54.2 Å²	54.2	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.7	-179.2	74.5	-77.2	0	0	0	113.5	D621 L623 M634 L643	Y609-D621 HydrophobicContact CE1-CB 3.87Å; Y609-L623 HydrophobicContact CD1-CD1 3.54Å; Y609-L623 HydrophobicContact CD1-CG 3.81Å; Y609-L623 HydrophobicContact CE1-CD1 3.62Å; Y609-L623 HydrophobicContact CE1-CD2 4.15Å; Y609-L623 HydrophobicContact CE1-CG 3.65Å; Y609-L623 HydrophobicContact CG-CD1 4.25Å; Y609-M634 HydrophobicContact CD1-SD 4.45Å; Y609-M634 HydrophobicContact CD2-SD 3.44Å; Y609-M634 WeakPolarHBondContact CD2-SD 3.11Å; Y609-M634 HydrophobicContact CE2-CB 4.42Å; Y609-M634 HydrophobicContact CE2-CG 4.13Å; Y609-M634 HydrophobicContact CE2-SD 3.53Å; Y609-M634 VanDerWaalsContact CE2-SD 3.53Å; Y609-M634 HydrophobicContact CG-SD 3.93Å; Y609-L643 CarbonylContact C-O 3.5Å; Y609-L643 VanDerWaalsContact CA-O 3.22Å; Y609-L643 WeakPolarHBondContact CA-O 3.08Å
610	G	93.2	Very high	91.6	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	178	174.9	0	0	0	0	0	112.3	T614 Y642 L643	G610-T614 WeakPolarHBondContact CA-OG1 3.48Å; G610-Y642 CarbonylContact O-C 3.59Å; G610-Y642 WeakPolarHBondContact O-CA 3.45Å; G610-L643 PolarHBondContact N-O 3.02Å; G610-L643 PolarHBondContact O-N 2.9Å
611	S	93.7	Very high	91.5	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-178.6	-177.9	71.2	0	0	0	0	111.9	K613 T614 W641	S611-K613 PolarHBondContact O-N 2.95Å; S611-K613 PolarHBondContact OG-N 3.18Å; S611-T614 PolarHBondContact N-OG1 2.89Å; S611-T614 VanDerWaalsContact O-CB 3.32Å; S611-T614 WeakPolarHBondContact O-CB 3.35Å; S611-T614 PolarHBondContact O-N 3.02Å; S611-T614 PolarHBondContact O-OG1 3.34Å; S611-W641 WeakPolarHBondContact CA-O 3.23Å; S611-W641 WeakPolarHBondContact CB-O 3.46Å
612	A	92.1	Very high	91.5	Very high	43 Å²	43	47.5 Å²	47.5	36%	0.355	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-22.3	173.1	0	0	0	0	0	114.6	D640 W641	A612-D640 HydrophobicContact CB-CB 4.13Å; A612-W641 HydrophobicContact CB-CD2 4.23Å; A612-W641 HydrophobicContact CB-CZ2 3.99Å; A612-W641 PolarHBondContact N-O 3.36Å
613	K	89.8	Confident	91.4	Very high	139 Å²	139	46.8 Å²	46.8	60%	0.604	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.5	178.1	-64.7	-178	-178.9	174.3	0	113.8	S611 V615 D640	S611-K613 PolarHBondContact O-N 2.95Å; S611-K613 PolarHBondContact OG-N 3.18Å; K613-V615 PolarHBondContact O-N 2.64Å; K613-D640 VanDerWaalsContact CE-OD2 3.26Å; K613-D640 WeakPolarHBondContact CE-OD2 3.33Å; K613-D640 IonicContact NZ-OD2 3.97Å
614	T	90.3	Very high	91.3	Very high	40 Å²	40	49.5 Å²	49.5	25%	0.245	27%	0.267	C	S	.	.			trans	-68	115.4	-179.6	-63.5	0	0	0	0	109.7	G610 S611 N616 W617	G610-T614 WeakPolarHBondContact CA-OG1 3.48Å; S611-T614 PolarHBondContact N-OG1 2.89Å; S611-T614 VanDerWaalsContact O-CB 3.32Å; S611-T614 WeakPolarHBondContact O-CB 3.35Å; S611-T614 PolarHBondContact O-N 3.02Å; S611-T614 PolarHBondContact O-OG1 3.34Å; T614-N616 WeakPolarHBondContact CG2-O 3.41Å; T614-W617 HydrophobicContact CG2-CD2 3.71Å; T614-W617 HydrophobicContact CG2-CE3 3.85Å; T614-W617 HydrophobicContact CG2-CG 4.24Å; T614-W617 HydrophobicContact CG2-CH2 4.17Å; T614-W617 HydrophobicContact CG2-CZ2 4.04Å; T614-W617 HydrophobicContact CG2-CZ3 4.08Å; T614-W617 PolarHBondContact O-NE1 3.42Å
615	V	84	Confident	91.3	Very high	143 Å²	143	49.1 Å²	49.1	87%	0.867	27%	0.265	S	S	*	.			trans	-87.4	-41.8	179.2	-178.7	0	0	0	0	111	K613	K613-V615 PolarHBondContact O-N 2.64Å
616	N	87.9	Confident	91.2	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	28%	0.279	S	S	.	.			trans	-108.8	119.9	178.6	-173.5	9.1	0	0	0	110.8	T614 T618 D619	T614-N616 WeakPolarHBondContact CG2-O 3.41Å; N616-T618 PolarHBondContact ND2-OG1 3.43Å; N616-T618 PolarHBondContact OD1-N 2.86Å; N616-T618 PolarHBondContact OD1-OG1 2.89Å; N616-D619 PolarHBondContact ND2-OD2 3.03Å
617	W	89.7	Confident	91.1	Very high	42 Å²	42	56.4 Å²	56.4	16%	0.159	31%	0.305	C	S	.	.	S	Bend	trans	-99.4	-2.2	179.7	-65	96.4	0	0	0	113.4	T614 W641 L643 V646 R647 P676	T614-W617 HydrophobicContact CG2-CD2 3.71Å; T614-W617 HydrophobicContact CG2-CE3 3.85Å; T614-W617 HydrophobicContact CG2-CG 4.24Å; T614-W617 HydrophobicContact CG2-CH2 4.17Å; T614-W617 HydrophobicContact CG2-CZ2 4.04Å; T614-W617 HydrophobicContact CG2-CZ3 4.08Å; T614-W617 PolarHBondContact O-NE1 3.42Å; W617-W641 AromaticContact CH2-CH2 3.79Å; W617-W641 HydrophobicContact CH2-CH2 3.79Å; W617-W641 AromaticContact CH2-CZ3 3.77Å; W617-W641 HydrophobicContact CH2-CZ3 3.77Å; W617-W641 AromaticContact CZ2-CH2 3.79Å; W617-W641 HydrophobicContact CZ2-CH2 3.79Å; W617-W641 HydrophobicContact CZ2-CZ3 4.26Å; W617-L643 HydrophobicContact CH2-CD2 4.26Å; W617-L643 HydrophobicContact CZ3-CD2 3.88Å; W617-V646 HydrophobicContact CE3-CG1 3.7Å; W617-V646 HydrophobicContact CE3-CG2 3.99Å; W617-V646 HydrophobicContact CZ3-CG1 4.41Å; W617-V646 HydrophobicContact CZ3-CG2 3.88Å; W617-R647 PolarHBondContact O-NE 3.03Å; W617-P676 HydrophobicContact CB-CG 3.88Å; W617-P676 HydrophobicContact CD2-CG 3.25Å; W617-P676 HydrophobicContact CE3-CG 3.68Å; W617-P676 HydrophobicContact CG-CG 3.35Å; W617-P676 HydrophobicContact CZ2-CG 4.33Å; W617-P676 HydrophobicContact CZ3-CG 4.37Å
618	T	85.7	Confident	91	Very high	75 Å²	75	60 Å²	60	46%	0.46	32%	0.321	S	S	.	.	S	Bend	trans	-86.5	-28.7	-179.2	62.6	0	0	0	0	113.4	N616 R647	N616-T618 PolarHBondContact ND2-OG1 3.43Å; N616-T618 PolarHBondContact OD1-N 2.86Å; N616-T618 PolarHBondContact OD1-OG1 2.89Å; T618-R647 PolarHBondContact O-NH2 3.4Å
619	D	81.6	Confident	91.1	Very high	122 Å²	122	64.1 Å²	64.1	65%	0.652	35%	0.346	S	S	*	.	S	Bend	trans	-118	53.2	-174.6	-51.4	-44	0	0	0	109.9	N616	N616-D619 PolarHBondContact ND2-OD2 3.03Å
620	A	82.5	Confident	91.2	Very high	23 Å²	23	63.1 Å²	63.1	19%	0.19	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.5	135.2	179.9	0	0	0	0	0	110.8	T608 V646	T608-A620 HydrophobicContact CG2-CB 4.37Å; A620-V646 HydrophobicContact CB-CB 4.29Å; A620-V646 HydrophobicContact CB-CG1 4.33Å
621	D	84.1	Confident	91.3	Very high	109 Å²	109	68.2 Å²	68.2	58%	0.583	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-61.1	143.5	175.2	-67.1	-39.1	0	0	0	111.3	T608 Y609	T608-D621 WeakPolarHBondContact CA-O 3.26Å; Y609-D621 HydrophobicContact CE1-CB 3.87Å
622	I	91.7	Very high	91.4	Very high	60 Å²	60	70.8 Å²	70.8	31%	0.308	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.4	177	-60.3	172.2	0	0	0	109.6	F509 P606 T608 W624	F509-I622 HydrophobicContact CB-CD1 3.89Å; P606-I622 HydrophobicContact CB-CG2 3.7Å; T608-I622 HydrophobicContact CG2-CG1 4.01Å; I622-W624 HydrophobicContact CG2-CD2 4.36Å; I622-W624 HydrophobicContact CG2-CZ2 4.36Å
623	L	94.3	Very high	91.5	Very high	20 Å²	20	73.4 Å²	73.4	11%	0.105	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.5	167.2	-61.9	170.6	0	0	0	109.3	F581 I607 Y609 M625 M630 Q632 M634	F581-L623 HydrophobicContact CZ-CD1 4.35Å; I607-L623 HydrophobicContact CB-CB 4.31Å; I607-L623 WeakPolarHBondContact CB-O 3.48Å; I607-L623 PolarHBondContact N-O 3.26Å; I607-L623 PolarHBondContact O-N 3.22Å; Y609-L623 HydrophobicContact CD1-CD1 3.54Å; Y609-L623 HydrophobicContact CD1-CG 3.81Å; Y609-L623 HydrophobicContact CE1-CD1 3.62Å; Y609-L623 HydrophobicContact CE1-CD2 4.15Å; Y609-L623 HydrophobicContact CE1-CG 3.65Å; Y609-L623 HydrophobicContact CG-CD1 4.25Å; L623-M625 PolarHBondContact O-N 3.35Å; L623-M630 HydrophobicContact CB-CE 4.31Å; L623-Q632 HydrophobicContact CD1-CG 3.82Å; L623-Q632 HydrophobicContact CD2-CG 3.86Å; L623-Q632 HydrophobicContact CG-CG 4.47Å; L623-M634 HydrophobicContact CD1-SD 4.01Å
624	W	95.6	Very high	91.6	Very high	57 Å²	57	67 Å²	67	22%	0.216	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.2	179.5	-73.4	100.5	0	0	0	111.6	F509 W544 L551 I556 I604 P606 I622 V626	F509-W624 HydrophobicContact CB-CH2 4.32Å; F509-W624 HydrophobicContact CB-CZ2 4.35Å; F509-W624 HydrophobicContact CD1-CH2 4.2Å; F509-W624 AromaticContact CD2-CH2 3.86Å; F509-W624 HydrophobicContact CD2-CH2 3.86Å; F509-W624 HydrophobicContact CD2-CZ2 4.09Å; F509-W624 HydrophobicContact CE1-CH2 4.49Å; F509-W624 HydrophobicContact CE2-CH2 4.2Å; F509-W624 AromaticContact CG-CH2 3.9Å; F509-W624 HydrophobicContact CG-CH2 3.9Å; F509-W624 HydrophobicContact CG-CZ2 4.28Å; W544-W624 HydrophobicContact CZ2-CZ2 4.2Å; L551-W624 HydrophobicContact CD1-CB 3.97Å; L551-W624 HydrophobicContact CD1-CD2 3.49Å; L551-W624 VanDerWaalsContact CD1-CD2 3.49Å; L551-W624 HydrophobicContact CD1-CE3 3.86Å; L551-W624 HydrophobicContact CD1-CG 3.54Å; I556-W624 HydrophobicContact CD1-CH2 3.65Å; I556-W624 HydrophobicContact CD1-CZ2 4.46Å; I556-W624 HydrophobicContact CD1-CZ3 3.73Å; I556-W624 HydrophobicContact CG1-CH2 4.49Å; I556-W624 HydrophobicContact CG1-CZ3 4.09Å; I556-W624 HydrophobicContact CG2-CZ3 4.16Å; I604-W624 HydrophobicContact CG2-CE3 4.06Å; I604-W624 HydrophobicContact CG2-CZ3 4.3Å; P606-W624 HydrophobicContact CB-CE3 4.17Å; P606-W624 HydrophobicContact CB-CH2 3.83Å; P606-W624 HydrophobicContact CB-CZ2 4.26Å; P606-W624 HydrophobicContact CB-CZ3 3.77Å; P606-W624 HydrophobicContact CG-CH2 4.32Å; P606-W624 HydrophobicContact CG-CZ3 4.16Å; I622-W624 HydrophobicContact CG2-CD2 4.36Å; I622-W624 HydrophobicContact CG2-CZ2 4.36Å; W624-V626 HydrophobicContact CB-CG2 4.37Å; W624-V626 PolarHBondContact O-N 2.95Å
625	M	97.3	Very high	91.5	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	95.1	171.3	-175.3	172.7	-170.9	0	0	109.4	F581 Q583 I604 I605 I607 L623 N627 K628 M630	F581-M625 HydrophobicContact CB-CE 4.1Å; F581-M625 HydrophobicContact CB-SD 4.13Å; Q583-M625 HydrophobicContact CB-CE 3.92Å; Q583-M625 HydrophobicContact CB-SD 4.37Å; Q583-M625 HydrophobicContact CG-CE 3.79Å; I604-M625 WeakPolarHBondContact CA-O 3.27Å; I605-M625 HydrophobicContact CB-CB 4.25Å; I605-M625 HydrophobicContact CD1-SD 4.34Å; I605-M625 PolarHBondContact N-O 2.65Å; I605-M625 PolarHBondContact O-N 2.86Å; I607-M625 HydrophobicContact CD1-CB 3.77Å; I607-M625 HydrophobicContact CD1-CG 4.48Å; I607-M625 HydrophobicContact CD1-SD 3.94Å; I607-M625 HydrophobicContact CG1-CB 4.43Å; L623-M625 PolarHBondContact O-N 3.35Å; M625-N627 WeakPolarHBondContact CE-O 3.48Å; M625-N627 WeakPolarHBondContact CG-O 3.34Å; M625-K628 WeakPolarHBondContact CE-O 3.04Å; M625-M630 HydrophobicContact CB-CE 4.3Å; M625-M630 HydrophobicContact CB-SD 4.28Å; M625-M630 HydrophobicContact CG-CB 4.3Å
626	V	96.2	Very high	91.8	Very high	51 Å²	51	65.4 Å²	65.4	31%	0.309	35%	0.35	S	S	.	.			trans	-87.2	-29.9	-178.3	-176.7	0	0	0	0	112.3	F555 I604 W624	F555-V626 HydrophobicContact CE1-CG1 3.94Å; F555-V626 HydrophobicContact CZ-CG1 3.98Å; I604-V626 HydrophobicContact CD1-CG1 4.43Å; I604-V626 HydrophobicContact CG2-CG2 4.45Å; W624-V626 HydrophobicContact CB-CG2 4.37Å; W624-V626 PolarHBondContact O-N 2.95Å
627	N	95.1	Very high	91.9	Very high	112 Å²	112	63.7 Å²	63.7	60%	0.599	35%	0.345	S	S	*	.	S	Bend	trans	-106.6	167.7	-179	-67.1	-37.2	0	0	0	111.2	Q583 M625 T629	Q583-N627 PolarHBondContact NE2-O 2.71Å; M625-N627 WeakPolarHBondContact CE-O 3.48Å; M625-N627 WeakPolarHBondContact CG-O 3.34Å; N627-T629 WeakPolarHBondContact CB-O 3.38Å; N627-T629 PolarHBondContact O-N 2.97Å
628	K	95.9	Very high	91.7	Very high	76 Å²	76	65.4 Å²	65.4	33%	0.33	36%	0.363	S	S	.	.	S	Bend	trans	-58.3	-27.7	173.9	-76.3	-173.8	168.3	-175.4	0	114.2	E582 Q583 E600 Y601 M625	E582-K628 WeakPolarHBondContact CA-O 3.34Å; Q583-K628 HydrophobicContact CG-CB 4.46Å; Q583-K628 WeakPolarHBondContact CG-O 3.4Å; Q583-K628 PolarHBondContact N-O 3.24Å; E600-K628 VanDerWaalsContact CD-NZ 3.3Å; E600-K628 WeakPolarHBondContact OE1-CE 2.84Å; E600-K628 IonicContact OE1-NZ 2.69Å; E600-K628 PolarHBondContact OE1-NZ 3.48Å; Y601-K628 WeakPolarHBondContact O-CE 3.31Å; M625-K628 WeakPolarHBondContact CE-O 3.04Å
629	T	97.3	Very high	91.8	Very high	91 Å²	91	67.8 Å²	67.8	56%	0.558	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.7	175.5	59.3	0	0	0	0	110.1	F581 E582 N627	F581-T629 CarbonylContact O-C 3.59Å; F581-T629 VanDerWaalsContact O-CA 3.22Å; F581-T629 WeakPolarHBondContact O-CA 3.46Å; E582-T629 HydrophobicContact CB-CG2 4.48Å; E582-T629 HydrophobicContact CG-CG2 4.43Å; N627-T629 WeakPolarHBondContact CB-O 3.38Å; N627-T629 PolarHBondContact O-N 2.97Å
630	M	96.5	Very high	92.3	Very high	31 Å²	31	63.6 Å²	63.6	15%	0.153	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.1	178.3	177.5	-176.9	73.7	0	0	109.2	F581 I607 L623 M625 Q632	F581-M630 HydrophobicContact CB-CB 4.26Å; F581-M630 HydrophobicContact CB-CE 4.33Å; F581-M630 HydrophobicContact CD1-CE 4.23Å; F581-M630 HydrophobicContact CD2-CE 3.82Å; F581-M630 HydrophobicContact CE1-CE 4.48Å; F581-M630 HydrophobicContact CE2-CE 4.15Å; F581-M630 HydrophobicContact CG-CE 3.89Å; F581-M630 HydrophobicContact CZ-CE 4.46Å; F581-M630 PolarHBondContact N-O 3.1Å; F581-M630 PolarHBondContact O-N 2.94Å; I607-M630 HydrophobicContact CD1-CE 4.5Å; L623-M630 HydrophobicContact CB-CE 4.31Å; M625-M630 HydrophobicContact CB-CE 4.3Å; M625-M630 HydrophobicContact CB-SD 4.28Å; M625-M630 HydrophobicContact CG-CB 4.3Å; M630-Q632 HydrophobicContact CE-CB 4.4Å
631	N	96.3	Very high	92.9	Very high	110 Å²	110	62.9 Å²	62.9	59%	0.588	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.7	169.1	-68.5	-22.7	0	0	0	108.7	F579 C580	F579-N631 WeakPolarHBondContact O-CA 3.23Å; C580-N631 PolarHBondContact SG-OD1 2.83Å
632	Q	95.2	Very high	93.4	Very high	63 Å²	63	58 Å²	58	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.2	178.4	-179.4	62.8	36.5	0	0	110.1	F579 F581 L623 M630 M634	F579-Q632 PolarHBondContact N-O 3.06Å; F579-Q632 PolarHBondContact O-N 3.47Å; F581-Q632 HydrophobicContact CD2-CB 4.45Å; F581-Q632 HydrophobicContact CE2-CB 3.89Å; L623-Q632 HydrophobicContact CD1-CG 3.82Å; L623-Q632 HydrophobicContact CD2-CG 3.86Å; L623-Q632 HydrophobicContact CG-CG 4.47Å; M630-Q632 HydrophobicContact CE-CB 4.4Å; Q632-M634 HydrophobicContact CG-CG 3.86Å
633	T	94.3	Very high	93.6	Very high	99 Å²	99	55.1 Å²	55.1	61%	0.607	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.1	169.4	-57.7	0	0	0	0	109.1	N577	N577-T633 HydrophobicContact CB-CG2 4.08Å; N577-T633 CarbonylContact O-C 3.56Å; N577-T633 WeakPolarHBondContact O-CA 3.48Å
634	M	91.8	Very high	93.7	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	30%	0.297	C	S	.	.			trans	-129.5	136.8	175.6	-54.1	-171.6	-73.4	0	0	109.7	N577 F579 F581 Y609 L623 Q632 I636	N577-M634 WeakPolarHBondContact CA-O 3.4Å; N577-M634 WeakPolarHBondContact CB-O 3.32Å; N577-M634 PolarHBondContact O-N 3.36Å; F579-M634 HydrophobicContact CB-CE 3.57Å; F579-M634 HydrophobicContact CD1-CE 3.26Å; F579-M634 HydrophobicContact CD2-CB 3.79Å; F579-M634 HydrophobicContact CD2-CE 3.36Å; F579-M634 HydrophobicContact CD2-CG 4.05Å; F579-M634 HydrophobicContact CE1-CE 3.62Å; F579-M634 HydrophobicContact CE2-CB 3.67Å; F579-M634 HydrophobicContact CE2-CE 3.76Å; F579-M634 HydrophobicContact CE2-CG 4.38Å; F579-M634 HydrophobicContact CG-CE 3.11Å; F579-M634 HydrophobicContact CZ-CB 4.46Å; F579-M634 HydrophobicContact CZ-CE 3.85Å; F581-M634 HydrophobicContact CE2-CE 4.22Å; F581-M634 HydrophobicContact CZ-CE 3.86Å; F581-M634 HydrophobicContact CZ-SD 4.36Å; Y609-M634 HydrophobicContact CD1-SD 4.45Å; Y609-M634 HydrophobicContact CD2-SD 3.44Å; Y609-M634 WeakPolarHBondContact CD2-SD 3.11Å; Y609-M634 HydrophobicContact CE2-CB 4.42Å; Y609-M634 HydrophobicContact CE2-CG 4.13Å; Y609-M634 HydrophobicContact CE2-SD 3.53Å; Y609-M634 VanDerWaalsContact CE2-SD 3.53Å; Y609-M634 HydrophobicContact CG-SD 3.93Å; L623-M634 HydrophobicContact CD1-SD 4.01Å; Q632-M634 HydrophobicContact CG-CG 3.86Å; M634-I636 HydrophobicContact CB-CD1 4.16Å; M634-I636 HydrophobicContact CB-CG1 4.3Å; M634-I636 HydrophobicContact CE-CD1 4.46Å; M634-I636 PolarHBondContact O-N 3.02Å; M634-I636 VanDerWaalsContact O-N 3.14Å
635	N	89.1	Confident	93.8	Very high	145 Å²	145	51.7 Å²	51.7	78%	0.775	29%	0.287	S	S	*	.			trans	-87.5	78.2	-177.5	-171.3	16.7	0	0	0	111.2
636	I	90.6	Very high	93.6	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.287	C	S	.	.			trans	-128.7	130	-177.9	-55	173.9	0	0	0	108.6	F579 M634 D640	F579-I636 HydrophobicContact CZ-CB 4.19Å; F579-I636 HydrophobicContact CZ-CD1 4.08Å; M634-I636 HydrophobicContact CB-CD1 4.16Å; M634-I636 HydrophobicContact CB-CG1 4.3Å; M634-I636 HydrophobicContact CE-CD1 4.46Å; M634-I636 PolarHBondContact O-N 3.02Å; M634-I636 VanDerWaalsContact O-N 3.14Å; I636-D640 HydrophobicContact CG2-CB 3.9Å
637	S	88.6	Confident	93.4	Very high	44 Å²	44	52.3 Å²	52.3	31%	0.308	28%	0.284	S	S	.	.			trans	-58.3	148.8	-178.6	-169.7	0	0	0	0	112.1	R573 D639 D640	R573-S637 PolarHBondContact NH1-O 3.17Å; R573-S637 PolarHBondContact NH2-O 2.92Å; S637-D639 PolarHBondContact O-N 3.41Å; S637-D639 VanDerWaalsContact O-N 3.11Å; S637-D640 WeakPolarHBondContact CB-OD2 3.29Å; S637-D640 PolarHBondContact O-N 3.22Å
638	S	86.3	Confident	93.4	Very high	78 Å²	78	47.1 Å²	47.1	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.1	175	55	0	0	0	0	112.7	R573	R573-S638 VanDerWaalsContact NH1-C 3.33Å; R573-S638 PolarHBondContact NH1-O 2.94Å; R573-S638 VanDerWaalsContact NH1-O 3.08Å
639	D	87	Confident	93.3	Very high	124 Å²	124	44.4 Å²	44.4	66%	0.663	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-8.5	-174.1	-51.5	-26.9	0	0	0	112.9	S637	S637-D639 PolarHBondContact O-N 3.41Å; S637-D639 VanDerWaalsContact O-N 3.11Å
640	D	92.8	Very high	93.3	Very high	35 Å²	35	40.1 Å²	40.1	19%	0.187	22%	0.219	C	C	.	.	S	Bend	trans	-89.8	134	179	-72	-28.4	0	0	0	110.7	R573 A612 K613 I636 S637	R573-D640 PolarHBondContact NH2-O 3.02Å; R573-D640 VanDerWaalsContact NH2-O 3.1Å; A612-D640 HydrophobicContact CB-CB 4.13Å; K613-D640 VanDerWaalsContact CE-OD2 3.26Å; K613-D640 WeakPolarHBondContact CE-OD2 3.33Å; K613-D640 IonicContact NZ-OD2 3.97Å; I636-D640 HydrophobicContact CG2-CB 3.9Å; S637-D640 WeakPolarHBondContact CB-OD2 3.29Å; S637-D640 PolarHBondContact O-N 3.22Å
641	W	95	Very high	93.3	Very high	8 Å²	8	38.7 Å²	38.7	3%	0.03	21%	0.212	C	C	.	.			trans	-66.4	151.8	166.7	53.4	-95.4	0	0	0	110.6	S611 A612 W617 L643 N660 L663 L664 Q667 A674 I675	S611-W641 WeakPolarHBondContact CA-O 3.23Å; S611-W641 WeakPolarHBondContact CB-O 3.46Å; A612-W641 HydrophobicContact CB-CD2 4.23Å; A612-W641 HydrophobicContact CB-CZ2 3.99Å; A612-W641 PolarHBondContact N-O 3.36Å; W617-W641 AromaticContact CH2-CH2 3.79Å; W617-W641 HydrophobicContact CH2-CH2 3.79Å; W617-W641 AromaticContact CH2-CZ3 3.77Å; W617-W641 HydrophobicContact CH2-CZ3 3.77Å; W617-W641 AromaticContact CZ2-CH2 3.79Å; W617-W641 HydrophobicContact CZ2-CH2 3.79Å; W617-W641 HydrophobicContact CZ2-CZ3 4.26Å; W641-L643 HydrophobicContact CE3-CB 4.39Å; W641-L643 HydrophobicContact CZ3-CB 4.15Å; W641-N660 WeakPolarHBondContact CA-OD1 2.83Å; W641-L663 HydrophobicContact CB-CB 3.72Å; W641-L664 HydrophobicContact CB-CD2 3.9Å; W641-L664 HydrophobicContact CB-CG 4.1Å; W641-L664 HydrophobicContact CD2-CD2 3.89Å; W641-L664 HydrophobicContact CE3-CD2 3.65Å; W641-L664 HydrophobicContact CG-CD2 4.02Å; W641-L664 HydrophobicContact CZ3-CD2 4.43Å; W641-Q667 HydrophobicContact CZ2-CG 4.12Å; W641-Q667 VanDerWaalsContact NE1-CG 3.34Å; W641-A674 HydrophobicContact CZ2-CB 4.49Å; W641-I675 HydrophobicContact CH2-CG1 3.94Å; W641-I675 HydrophobicContact CZ2-CG1 3.99Å; W641-I675 HydrophobicContact CZ3-CG1 4.44Å
642	Y	94.9	Very high	93.4	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.6	171.2	63	-81.8	0	0	0	110.4	V571 R573 F579 G610 L644 Y656 N660	V571-Y642 HydrophobicContact CB-CE2 4.3Å; V571-Y642 HydrophobicContact CG1-CE2 3.63Å; V571-Y642 HydrophobicContact CG2-CE2 3.7Å; V571-Y642 PolarHBondContact O-OH 3.15Å; R573-Y642 VanDerWaalsContact NH2-CD1 3.29Å; F579-Y642 HydrophobicContact CD1-CD2 4.46Å; F579-Y642 HydrophobicContact CD1-CE1 4.47Å; F579-Y642 HydrophobicContact CD1-CE2 4.12Å; F579-Y642 AromaticContact CE1-CD1 3.77Å; F579-Y642 HydrophobicContact CE1-CD1 3.77Å; F579-Y642 HydrophobicContact CE1-CD2 4Å; F579-Y642 AromaticContact CE1-CE1 3.72Å; F579-Y642 HydrophobicContact CE1-CE1 3.72Å; F579-Y642 AromaticContact CE1-CE2 3.95Å; F579-Y642 HydrophobicContact CE1-CE2 3.95Å; F579-Y642 AromaticContact CE1-CG 3.92Å; F579-Y642 HydrophobicContact CE1-CG 3.92Å; F579-Y642 AromaticContact CE1-CZ 3.83Å; F579-Y642 HydrophobicContact CZ-CD1 4.47Å; G610-Y642 CarbonylContact O-C 3.59Å; G610-Y642 WeakPolarHBondContact O-CA 3.45Å; Y642-L644 HydrophobicContact CD2-CD1 3.7Å; Y642-L644 HydrophobicContact CE2-CD1 4.02Å; Y642-Y656 HydrophobicContact CD2-CD1 4.13Å; Y642-Y656 HydrophobicContact CD2-CE1 4.18Å; Y642-Y656 AromaticContact CE2-CD1 3.62Å; Y642-Y656 HydrophobicContact CE2-CD1 3.62Å; Y642-Y656 HydrophobicContact CE2-CE1 4.09Å; Y642-N660 HydrophobicContact CD1-CB 4.29Å; Y642-N660 VanDerWaalsContact CD1-CG 3.48Å; Y642-N660 WeakPolarHBondContact CD1-OD1 3.24Å; Y642-N660 HydrophobicContact CE1-CB 3.62Å; Y642-N660 VanDerWaalsContact CE1-OD1 3.23Å; Y642-N660 WeakPolarHBondContact CE1-OD1 3.49Å; Y642-N660 PolarHBondContact N-OD1 3.05Å; Y642-N660 PolarHBondContact O-ND2 2.99Å
643	L	95.6	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.7	-172.1	174.4	76.8	0	0	0	108.7	Y609 G610 W617 W641 V646 S679 I683	Y609-L643 CarbonylContact C-O 3.5Å; Y609-L643 VanDerWaalsContact CA-O 3.22Å; Y609-L643 WeakPolarHBondContact CA-O 3.08Å; G610-L643 PolarHBondContact N-O 3.02Å; G610-L643 PolarHBondContact O-N 2.9Å; W617-L643 HydrophobicContact CH2-CD2 4.26Å; W617-L643 HydrophobicContact CZ3-CD2 3.88Å; W641-L643 HydrophobicContact CE3-CB 4.39Å; W641-L643 HydrophobicContact CZ3-CB 4.15Å; L643-V646 HydrophobicContact CD2-CG2 4.33Å; L643-S679 VanDerWaalsContact CD2-CB 3.4Å; L643-S679 WeakPolarHBondContact CD2-OG 3.36Å; L643-I683 HydrophobicContact CD1-CD1 4.35Å; L643-I683 HydrophobicContact CD1-CG1 4.42Å
644	L	96.9	Very high	93.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	165.2	174.6	-77	64.4	0	0	0	110.2	V569 V571 F581 I607 T608 Y642 V646 V654 Y656 Q682	V569-L644 HydrophobicContact CG1-CD2 4.04Å; V571-L644 HydrophobicContact CB-CD2 4.14Å; V571-L644 HydrophobicContact CG1-CD1 4.03Å; V571-L644 HydrophobicContact CG1-CD2 3.98Å; F581-L644 HydrophobicContact CD1-CD2 4.05Å; F581-L644 HydrophobicContact CE1-CD2 3.5Å; F581-L644 VanDerWaalsContact CE1-CD2 3.5Å; F581-L644 HydrophobicContact CE1-CG 4.27Å; I607-L644 HydrophobicContact CG2-CB 4.28Å; I607-L644 HydrophobicContact CG2-CD2 3.89Å; I607-L644 HydrophobicContact CG2-CG 3.89Å; T608-L644 CarbonylContact O-C 3.03Å; T608-L644 VanDerWaalsContact O-CA 3.27Å; T608-L644 WeakPolarHBondContact O-CA 3.29Å; Y642-L644 HydrophobicContact CD2-CD1 3.7Å; Y642-L644 HydrophobicContact CE2-CD1 4.02Å; L644-V646 VanDerWaalsContact C-N 3.3Å; L644-V654 HydrophobicContact CB-CG1 4.06Å; L644-V654 HydrophobicContact CB-CG2 3.96Å; L644-V654 HydrophobicContact CD2-CG1 4.12Å; L644-Y656 HydrophobicContact CB-CE1 4.49Å; L644-Y656 HydrophobicContact CD1-CD1 4.47Å; L644-Y656 HydrophobicContact CD1-CE1 3.73Å; L644-Y656 PolarHBondContact N-OH 3.33Å; L644-Q682 PolarHBondContact O-NE2 2.88Å
645	N	97	Very high	94	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.147	C	C	.	.	S	Bend	trans	55.8	47	-176	-159.9	6.8	0	0	0	111	T608 R647 Q648 E649 G650 Y652 V654 Q682	T608-N645 PolarHBondContact O-N 3.46Å; T608-N645 WeakPolarHBondContact OG1-CA 3.45Å; N645-R647 PolarHBondContact O-N 2.89Å; N645-Q648 PolarHBondContact O-N 2.64Å; N645-E649 PolarHBondContact OD1-N 2.84Å; N645-G650 PolarHBondContact ND2-O 3.26Å; N645-G650 PolarHBondContact OD1-N 3.09Å; N645-Y652 WeakPolarHBondContact CA-OH 3.48Å; N645-Y652 HydrophobicContact CB-CD2 4.48Å; N645-Y652 HydrophobicContact CB-CE1 4.38Å; N645-Y652 HydrophobicContact CB-CE2 3.62Å; N645-Y652 WeakPolarHBondContact CB-OH 3.15Å; N645-Y652 PolarHBondContact N-OH 2.98Å; N645-Y652 PolarHBondContact ND2-O 2.87Å; N645-V654 HydrophobicContact CB-CG2 4.14Å; N645-Q682 PolarHBondContact O-OE1 2.64Å
646	V	93.8	Very high	94.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-50.3	131.9	178.8	172.8	0	0	0	0	108.9	T608 W617 A620 L643 L644 Q648 E649	T608-V646 PolarHBondContact OG1-N 3.32Å; T608-V646 PolarHBondContact OG1-O 2.96Å; W617-V646 HydrophobicContact CE3-CG1 3.7Å; W617-V646 HydrophobicContact CE3-CG2 3.99Å; W617-V646 HydrophobicContact CZ3-CG1 4.41Å; W617-V646 HydrophobicContact CZ3-CG2 3.88Å; A620-V646 HydrophobicContact CB-CB 4.29Å; A620-V646 HydrophobicContact CB-CG1 4.33Å; L643-V646 HydrophobicContact CD2-CG2 4.33Å; L644-V646 VanDerWaalsContact C-N 3.3Å; V646-Q648 PolarHBondContact O-N 2.74Å; V646-E649 WeakPolarHBondContact O-CG 3.47Å
647	R	90.5	Very high	94.7	Very high	65 Å²	65	21.7 Å²	21.7	25%	0.245	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	62.7	11	-176	-61.7	176.4	-60.2	157	4.3	116.8	W617 T618 N645 E649 Y678	W617-R647 PolarHBondContact O-NE 3.03Å; T618-R647 PolarHBondContact O-NH2 3.4Å; N645-R647 PolarHBondContact O-N 2.89Å; R647-E649 HydrophobicContact CB-CG 4.03Å; R647-E649 IonicContact CZ-OE1 3.67Å; R647-E649 IonicContact CZ-OE2 3.1Å; R647-E649 IonicContact NE-OE1 3.73Å; R647-E649 IonicContact NE-OE2 2.64Å; R647-E649 IonicContact NH1-OE1 2.68Å; R647-E649 IonicContact NH2-OE1 3.78Å; R647-E649 PolarHBondContact NH2-OE1 3.28Å; R647-E649 IonicContact NH2-OE2 3.65Å; R647-E649 PolarHBondContact NH2-OE2 3.24Å; R647-Y678 HydrophobicContact CB-CD2 4.07Å; R647-Y678 HydrophobicContact CG-CD2 4.38Å
648	Q	95.3	Very high	95	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	57.6	47.6	-178.4	-63	-177.2	87.2	0	0	112.4	I458 L462 W504 N645 V646 Y678 Q682	I458-Q648 VanDerWaalsContact CG2-NE2 3.33Å; L462-Q648 HydrophobicContact CD2-CB 3.69Å; L462-Q648 VanDerWaalsContact CD2-O 3.23Å; L462-Q648 WeakPolarHBondContact CD2-O 3.35Å; W504-Q648 PolarHBondContact NE1-O 3.39Å; N645-Q648 PolarHBondContact O-N 2.64Å; V646-Q648 PolarHBondContact O-N 2.74Å; Q648-Y678 PolarHBondContact NE2-O 2.78Å; Q648-Q682 HydrophobicContact CG-CB 3.68Å; Q648-Q682 HydrophobicContact CG-CG 4.03Å; Q648-Q682 VanDerWaalsContact CG-OE1 3.3Å
649	E	94.1	Very high	95.4	Very high	18 Å²	18	26.1 Å²	26.1	8%	0.084	14%	0.138	C	C	.	.			trans	-80.8	-25	-177.8	-65.4	-170.8	125.9	0	0	113.3	M505 K508 N645 V646 R647	M505-E649 WeakPolarHBondContact CA-O 3.48Å; M505-E649 WeakPolarHBondContact CB-O 3.26Å; K508-E649 HydrophobicContact CB-CB 3.99Å; K508-E649 HydrophobicContact CB-CG 4.22Å; K508-E649 HydrophobicContact CD-CG 4.4Å; K508-E649 WeakPolarHBondContact CD-OE1 3.47Å; K508-E649 HydrophobicContact CG-CB 3.84Å; K508-E649 HydrophobicContact CG-CG 3.79Å; K508-E649 WeakPolarHBondContact CG-OE1 3.45Å; N645-E649 PolarHBondContact OD1-N 2.84Å; V646-E649 WeakPolarHBondContact O-CG 3.47Å; R647-E649 HydrophobicContact CB-CG 4.03Å; R647-E649 IonicContact CZ-OE1 3.67Å; R647-E649 IonicContact CZ-OE2 3.1Å; R647-E649 IonicContact NE-OE1 3.73Å; R647-E649 IonicContact NE-OE2 2.64Å; R647-E649 IonicContact NH1-OE1 2.68Å; R647-E649 IonicContact NH2-OE1 3.78Å; R647-E649 PolarHBondContact NH2-OE1 3.28Å; R647-E649 IonicContact NH2-OE2 3.65Å; R647-E649 PolarHBondContact NH2-OE2 3.24Å
650	G	96.6	Very high	95.8	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	-104.7	152.4	176.2	0	0	0	0	0	113.9	N645 Y652	N645-G650 PolarHBondContact ND2-O 3.26Å; N645-G650 PolarHBondContact OD1-N 3.09Å; G650-Y652 VanDerWaalsContact C-N 3.3Å; G650-Y652 PolarHBondContact O-N 3.39Å; G650-Y652 VanDerWaalsContact O-N 3.09Å
651	L	97.8	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-83.8	65.5	175.4	-178.8	63.2	0	0	0	111.1	L462 V465 L466 K498 L502 W560	L462-L651 HydrophobicContact CD1-CB 4.46Å; L462-L651 HydrophobicContact CD1-CD1 3.61Å; V465-L651 HydrophobicContact CG1-CD1 3.42Å; V465-L651 VanDerWaalsContact CG1-CD1 3.42Å; L466-L651 HydrophobicContact CD2-CD1 3.9Å; L466-L651 HydrophobicContact CG-CD1 4.15Å; K498-L651 HydrophobicContact CD-CD2 4.43Å; K498-L651 HydrophobicContact CG-CD2 3.65Å; L502-L651 HydrophobicContact CD2-CD2 3.87Å; L502-L651 HydrophobicContact CG-CD2 4.33Å; W560-L651 HydrophobicContact CZ3-CB 4.12Å; W560-L651 WeakPolarHBondContact CZ3-O 3.47Å
652	Y	98.3	Very high	96.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	12%	0.121	C	C	.	.			trans	-153.9	156.8	177.4	61.5	-90.7	0	0	0	111.8	P567 V569 I605 N645 G650 V654	P567-Y652 WeakPolarHBondContact O-CB 3.32Å; V569-Y652 HydrophobicContact CB-CD2 3.98Å; V569-Y652 HydrophobicContact CB-CE2 4.27Å; V569-Y652 HydrophobicContact CG2-CD2 3.47Å; V569-Y652 VanDerWaalsContact CG2-CD2 3.47Å; V569-Y652 HydrophobicContact CG2-CE2 3.92Å; V569-Y652 HydrophobicContact CG2-CG 4.02Å; I605-Y652 HydrophobicContact CG2-CD1 3.52Å; I605-Y652 HydrophobicContact CG2-CE1 3.42Å; I605-Y652 VanDerWaalsContact CG2-CE1 3.42Å; I605-Y652 HydrophobicContact CG2-CG 4.16Å; N645-Y652 WeakPolarHBondContact CA-OH 3.48Å; N645-Y652 HydrophobicContact CB-CD2 4.48Å; N645-Y652 HydrophobicContact CB-CE1 4.38Å; N645-Y652 HydrophobicContact CB-CE2 3.62Å; N645-Y652 WeakPolarHBondContact CB-OH 3.15Å; N645-Y652 PolarHBondContact N-OH 2.98Å; N645-Y652 PolarHBondContact ND2-O 2.87Å; G650-Y652 VanDerWaalsContact C-N 3.3Å; G650-Y652 PolarHBondContact O-N 3.39Å; G650-Y652 VanDerWaalsContact O-N 3.09Å; Y652-V654 HydrophobicContact CD2-CG2 4.05Å; Y652-V654 HydrophobicContact CE2-CG2 3.79Å
653	R	98.1	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	154.4	173.1	-68	-172.5	-179.8	-82.2	5.4	110.6	L466 Y566 P567 L568 V569 N685 D686 S689	L466-R653 HydrophobicContact CD2-CG 4.27Å; L466-R653 PolarHBondContact O-NH2 2.73Å; Y566-R653 HydrophobicContact CE2-CG 3.87Å; Y566-R653 PolarHBondContact OH-NE 2.68Å; P567-R653 PolarHBondContact O-N 2.75Å; L568-R653 HydrophobicContact CD1-CB 3.72Å; V569-R653 PolarHBondContact N-O 2.79Å; R653-N685 PolarHBondContact NH1-ND2 2.89Å; R653-N685 PolarHBondContact NH1-O 2.94Å; R653-D686 WeakPolarHBondContact CG-OD1 3.09Å; R653-D686 IonicContact CZ-OD1 3.38Å; R653-D686 IonicContact NH1-OD1 3.7Å; R653-D686 PolarHBondContact NH1-OD1 3.18Å; R653-S689 VanDerWaalsContact CZ-CB 3.48Å; R653-S689 PolarHBondContact NH2-OG 3.29Å
654	V	98.3	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.3	177.4	-170.7	0	0	0	0	111.1	V569 V571 L644 N645 Y652 Y656 W661 D686	V569-V654 WeakPolarHBondContact O-CA 3.19Å; V571-V654 HydrophobicContact CG1-CG1 4.31Å; L644-V654 HydrophobicContact CB-CG1 4.06Å; L644-V654 HydrophobicContact CB-CG2 3.96Å; L644-V654 HydrophobicContact CD2-CG1 4.12Å; N645-V654 HydrophobicContact CB-CG2 4.14Å; Y652-V654 HydrophobicContact CD2-CG2 4.05Å; Y652-V654 HydrophobicContact CE2-CG2 3.79Å; V654-Y656 HydrophobicContact CB-CE2 4.02Å; V654-Y656 HydrophobicContact CG1-CD1 4.08Å; V654-Y656 HydrophobicContact CG1-CD2 4.14Å; V654-Y656 HydrophobicContact CG1-CE1 3.62Å; V654-Y656 HydrophobicContact CG1-CE2 3.61Å; V654-Y656 HydrophobicContact CG1-CG 4.32Å; V654-W661 WeakPolarHBondContact O-CZ2 3.17Å; V654-D686 PolarHBondContact N-OD2 3.43Å
655	H	98.2	Very high	96.5	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.13	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.6	168	177.1	53	0	0	0	110.5	L568 V569 I570 V571 W661 L690	L568-H655 HydrophobicContact CD1-CB 3.91Å; L568-H655 HydrophobicContact CD2-CB 4.22Å; L568-H655 HydrophobicContact CG-CB 4.22Å; V569-H655 PolarHBondContact O-N 2.88Å; I570-H655 VanDerWaalsContact CA-O 3.31Å; I570-H655 WeakPolarHBondContact CA-O 3.36Å; I570-H655 HydrophobicContact CG1-CB 4.33Å; V571-H655 PolarHBondContact N-O 3.49Å; H655-W661 AromaticContact CE1-NE1 3.9Å; H655-W661 AromaticContact ND1-NE1 3.42Å; H655-W661 PolarHBondContact ND1-NE1 2.87Å; H655-L690 HydrophobicContact CB-CD1 4.15Å
656	Y	98	Very high	96.5	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.3	175.7	-49	-90.7	0	0	0	111.4	V571 Y642 L644 V654 N660 W661 L664	V571-Y656 HydrophobicContact CG1-CD1 3.46Å; V571-Y656 VanDerWaalsContact CG1-CD1 3.46Å; V571-Y656 HydrophobicContact CG1-CE1 4.03Å; V571-Y656 HydrophobicContact CG1-CG 4.23Å; Y642-Y656 HydrophobicContact CD2-CD1 4.13Å; Y642-Y656 HydrophobicContact CD2-CE1 4.18Å; Y642-Y656 AromaticContact CE2-CD1 3.62Å; Y642-Y656 HydrophobicContact CE2-CD1 3.62Å; Y642-Y656 HydrophobicContact CE2-CE1 4.09Å; L644-Y656 HydrophobicContact CB-CE1 4.49Å; L644-Y656 HydrophobicContact CD1-CD1 4.47Å; L644-Y656 HydrophobicContact CD1-CE1 3.73Å; L644-Y656 PolarHBondContact N-OH 3.33Å; V654-Y656 HydrophobicContact CB-CE2 4.02Å; V654-Y656 HydrophobicContact CG1-CD1 4.08Å; V654-Y656 HydrophobicContact CG1-CD2 4.14Å; V654-Y656 HydrophobicContact CG1-CE1 3.62Å; V654-Y656 HydrophobicContact CG1-CE2 3.61Å; V654-Y656 HydrophobicContact CG1-CG 4.32Å; Y656-N660 WeakPolarHBondContact CD1-ND2 3.35Å; Y656-N660 VanDerWaalsContact CG-ND2 3.31Å; Y656-W661 AromaticContact CD2-CD2 3.83Å; Y656-W661 HydrophobicContact CD2-CD2 3.83Å; Y656-W661 AromaticContact CD2-CE2 3.59Å; Y656-W661 AromaticContact CD2-CE3 3.87Å; Y656-W661 HydrophobicContact CD2-CE3 3.87Å; Y656-W661 AromaticContact CD2-CH2 3.5Å; Y656-W661 HydrophobicContact CD2-CH2 3.5Å; Y656-W661 VanDerWaalsContact CD2-CH2 3.5Å; Y656-W661 AromaticContact CD2-CZ2 3.45Å; Y656-W661 HydrophobicContact CD2-CZ2 3.45Å; Y656-W661 VanDerWaalsContact CD2-CZ2 3.45Å; Y656-W661 AromaticContact CD2-CZ3 3.7Å; Y656-W661 HydrophobicContact CD2-CZ3 3.7Å; Y656-W661 HydrophobicContact CE2-CE3 4.42Å; Y656-W661 AromaticContact CE2-CH2 3.63Å; Y656-W661 HydrophobicContact CE2-CH2 3.63Å; Y656-W661 HydrophobicContact CE2-CZ2 4.02Å; Y656-W661 AromaticContact CE2-CZ3 3.85Å; Y656-W661 HydrophobicContact CE2-CZ3 3.85Å; Y656-W661 PolarHBondContact O-NE1 3.19Å; Y656-L664 HydrophobicContact CD2-CD1 4.09Å; Y656-L664 HydrophobicContact CE2-CD1 4Å
657	A	94.9	Very high	96.7	Very high	38 Å²	38	31.2 Å²	31.2	31%	0.314	16%	0.16	S	C	.	.			trans	-58.6	147.6	163.9	0	0	0	0	0	112	V571 N659 N660 W661	V571-A657 PolarHBondContact O-N 3.33Å; A657-N659 VanDerWaalsContact C-N 3.25Å; A657-N659 PolarHBondContact O-N 3.36Å; A657-N659 VanDerWaalsContact O-N 3.08Å; A657-N660 PolarHBondContact O-N 2.77Å; A657-W661 PolarHBondContact O-N 2.73Å
658	D	94.9	Very high	97.1	Very high	95 Å²	95	28.1 Å²	28.1	51%	0.508	15%	0.148	S	C	.	.	H	α-helix	trans	-49	-40.8	-175.2	-71.3	-4.9	0	0	0	114.4	N660 W661 K662	D658-N660 VanDerWaalsContact C-N 3.33Å; D658-N660 PolarHBondContact O-N 3.24Å; D658-W661 PolarHBondContact O-N 3.34Å; D658-K662 WeakPolarHBondContact O-CG 3.33Å; D658-K662 PolarHBondContact O-N 3.43Å
659	N	94.5	Very high	97.2	Very high	119 Å²	119	31 Å²	31	64%	0.636	16%	0.162	S	C	*	.	H	α-helix	trans	-62.9	-39.7	179.3	-72.8	-13.7	0	0	0	111.8	A657 K662 L663	A657-N659 VanDerWaalsContact C-N 3.25Å; A657-N659 PolarHBondContact O-N 3.36Å; A657-N659 VanDerWaalsContact O-N 3.08Å; N659-K662 PolarHBondContact O-N 3.34Å; N659-L663 WeakPolarHBondContact O-CG 3.22Å; N659-L663 PolarHBondContact O-N 3.37Å
660	N	97.1	Very high	97.3	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-38.7	177.5	-170.4	65	0	0	0	111.6	W641 Y642 Y656 A657 D658 K662 L663 L664	W641-N660 WeakPolarHBondContact CA-OD1 2.83Å; Y642-N660 HydrophobicContact CD1-CB 4.29Å; Y642-N660 VanDerWaalsContact CD1-CG 3.48Å; Y642-N660 WeakPolarHBondContact CD1-OD1 3.24Å; Y642-N660 HydrophobicContact CE1-CB 3.62Å; Y642-N660 VanDerWaalsContact CE1-OD1 3.23Å; Y642-N660 WeakPolarHBondContact CE1-OD1 3.49Å; Y642-N660 PolarHBondContact N-OD1 3.05Å; Y642-N660 PolarHBondContact O-ND2 2.99Å; Y656-N660 WeakPolarHBondContact CD1-ND2 3.35Å; Y656-N660 VanDerWaalsContact CG-ND2 3.31Å; A657-N660 PolarHBondContact O-N 2.77Å; D658-N660 VanDerWaalsContact C-N 3.33Å; D658-N660 PolarHBondContact O-N 3.24Å; N660-K662 VanDerWaalsContact C-N 3.31Å; N660-K662 PolarHBondContact O-N 2.93Å; N660-L663 PolarHBondContact O-N 3.24Å; N660-L664 WeakPolarHBondContact O-CG 3.32Å; N660-L664 PolarHBondContact O-N 3.01Å
661	W	97.8	Very high	97.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-44.9	171.8	-80.4	127.1	0	0	0	112	V654 H655 Y656 A657 D658 L663 L664 V665 I683 D686 L687 L690 L700	V654-W661 WeakPolarHBondContact O-CZ2 3.17Å; H655-W661 AromaticContact CE1-NE1 3.9Å; H655-W661 AromaticContact ND1-NE1 3.42Å; H655-W661 PolarHBondContact ND1-NE1 2.87Å; Y656-W661 AromaticContact CD2-CD2 3.83Å; Y656-W661 HydrophobicContact CD2-CD2 3.83Å; Y656-W661 AromaticContact CD2-CE2 3.59Å; Y656-W661 AromaticContact CD2-CE3 3.87Å; Y656-W661 HydrophobicContact CD2-CE3 3.87Å; Y656-W661 AromaticContact CD2-CH2 3.5Å; Y656-W661 HydrophobicContact CD2-CH2 3.5Å; Y656-W661 VanDerWaalsContact CD2-CH2 3.5Å; Y656-W661 AromaticContact CD2-CZ2 3.45Å; Y656-W661 HydrophobicContact CD2-CZ2 3.45Å; Y656-W661 VanDerWaalsContact CD2-CZ2 3.45Å; Y656-W661 AromaticContact CD2-CZ3 3.7Å; Y656-W661 HydrophobicContact CD2-CZ3 3.7Å; Y656-W661 HydrophobicContact CE2-CE3 4.42Å; Y656-W661 AromaticContact CE2-CH2 3.63Å; Y656-W661 HydrophobicContact CE2-CH2 3.63Å; Y656-W661 HydrophobicContact CE2-CZ2 4.02Å; Y656-W661 AromaticContact CE2-CZ3 3.85Å; Y656-W661 HydrophobicContact CE2-CZ3 3.85Å; Y656-W661 PolarHBondContact O-NE1 3.19Å; A657-W661 PolarHBondContact O-N 2.73Å; D658-W661 PolarHBondContact O-N 3.34Å; W661-L663 VanDerWaalsContact C-N 3.35Å; W661-L663 PolarHBondContact O-N 2.79Å; W661-L664 HydrophobicContact CE3-CD1 4.04Å; W661-L664 HydrophobicContact CZ3-CD1 4.21Å; W661-L664 PolarHBondContact O-N 3.43Å; W661-V665 WeakPolarHBondContact O-CB 3.37Å; W661-V665 WeakPolarHBondContact O-CG2 3.26Å; W661-V665 PolarHBondContact O-N 3.48Å; W661-I683 HydrophobicContact CZ3-CG2 4.16Å; W661-D686 HydrophobicContact CH2-CB 4.48Å; W661-L687 HydrophobicContact CD2-CD2 3.82Å; W661-L687 HydrophobicContact CE3-CD1 4.31Å; W661-L687 HydrophobicContact CE3-CD2 3.73Å; W661-L687 HydrophobicContact CE3-CG 4.1Å; W661-L687 HydrophobicContact CH2-CD2 3.95Å; W661-L687 HydrophobicContact CH2-CG 4.05Å; W661-L687 HydrophobicContact CZ2-CD2 4.01Å; W661-L687 HydrophobicContact CZ3-CD1 4.24Å; W661-L687 HydrophobicContact CZ3-CD2 3.82Å; W661-L687 HydrophobicContact CZ3-CG 3.8Å; W661-L690 HydrophobicContact CZ2-CD1 3.82Å; W661-L700 HydrophobicContact CB-CD1 4.2Å; W661-L700 HydrophobicContact CB-CD2 3.79Å; W661-L700 HydrophobicContact CD2-CD2 4.36Å; W661-L700 HydrophobicContact CG-CD2 3.82Å
662	K	97.2	Very high	97.2	Very high	114 Å²	114	43.6 Å²	43.6	50%	0.496	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-43.6	175.2	-71.1	171	-174.7	173.2	0	111.7	D658 N659 N660 V665 N666	D658-K662 WeakPolarHBondContact O-CG 3.33Å; D658-K662 PolarHBondContact O-N 3.43Å; N659-K662 PolarHBondContact O-N 3.34Å; N660-K662 VanDerWaalsContact C-N 3.31Å; N660-K662 PolarHBondContact O-N 2.93Å; K662-V665 PolarHBondContact O-N 2.78Å; K662-N666 VanDerWaalsContact O-CB 3.25Å; K662-N666 WeakPolarHBondContact O-CB 3.44Å; K662-N666 PolarHBondContact O-N 3.39Å; K662-N666 PolarHBondContact O-ND2 2.86Å
663	L	97.1	Very high	97.1	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.277	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-41.9	176.9	-67.2	171	0	0	0	112.2	W641 N659 N660 W661 N666 Q667	W641-L663 HydrophobicContact CB-CB 3.72Å; N659-L663 WeakPolarHBondContact O-CG 3.22Å; N659-L663 PolarHBondContact O-N 3.37Å; N660-L663 PolarHBondContact O-N 3.24Å; W661-L663 VanDerWaalsContact C-N 3.35Å; W661-L663 PolarHBondContact O-N 2.79Å; L663-N666 PolarHBondContact O-N 3.29Å; L663-Q667 WeakPolarHBondContact O-CB 3.26Å; L663-Q667 PolarHBondContact O-N 2.97Å
664	L	98.1	Very high	96.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-46.2	175.5	-73.1	171.5	0	0	0	111.9	W641 Y656 N660 W661 Q667 L668 I675 I683	W641-L664 HydrophobicContact CB-CD2 3.9Å; W641-L664 HydrophobicContact CB-CG 4.1Å; W641-L664 HydrophobicContact CD2-CD2 3.89Å; W641-L664 HydrophobicContact CE3-CD2 3.65Å; W641-L664 HydrophobicContact CG-CD2 4.02Å; W641-L664 HydrophobicContact CZ3-CD2 4.43Å; Y656-L664 HydrophobicContact CD2-CD1 4.09Å; Y656-L664 HydrophobicContact CE2-CD1 4Å; N660-L664 WeakPolarHBondContact O-CG 3.32Å; N660-L664 PolarHBondContact O-N 3.01Å; W661-L664 HydrophobicContact CE3-CD1 4.04Å; W661-L664 HydrophobicContact CZ3-CD1 4.21Å; W661-L664 PolarHBondContact O-N 3.43Å; L664-Q667 WeakPolarHBondContact O-CB 3.26Å; L664-Q667 PolarHBondContact O-N 2.86Å; L664-L668 WeakPolarHBondContact O-CG 3.1Å; L664-L668 PolarHBondContact O-N 2.84Å; L664-I675 HydrophobicContact CD2-CD1 4.17Å; L664-I683 HydrophobicContact CD1-CD1 4.47Å; L664-I683 HydrophobicContact CD2-CD1 4.23Å
665	V	98.3	Very high	96.8	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177.3	170.7	0	0	0	0	111.2	W661 K662 Q667 L668 Q669 L687 L700 N703 A704	W661-V665 WeakPolarHBondContact O-CB 3.37Å; W661-V665 WeakPolarHBondContact O-CG2 3.26Å; W661-V665 PolarHBondContact O-N 3.48Å; K662-V665 PolarHBondContact O-N 2.78Å; V665-Q667 VanDerWaalsContact C-N 3.3Å; V665-Q667 PolarHBondContact O-N 3.02Å; V665-L668 PolarHBondContact O-N 2.99Å; V665-Q669 WeakPolarHBondContact O-CG 3.29Å; V665-Q669 PolarHBondContact O-N 3.1Å; V665-L687 HydrophobicContact CG2-CD1 4.41Å; V665-L700 HydrophobicContact CG2-CD1 3.96Å; V665-N703 HydrophobicContact CG1-CB 4.02Å; V665-A704 HydrophobicContact CG2-CB 3.88Å
666	N	98.1	Very high	96.6	Very high	94 Å²	94	50 Å²	50	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-38.2	174.2	-72.1	-13	0	0	0	111.4	K662 L663 Q669 R670	K662-N666 VanDerWaalsContact O-CB 3.25Å; K662-N666 WeakPolarHBondContact O-CB 3.44Å; K662-N666 PolarHBondContact O-N 3.39Å; K662-N666 PolarHBondContact O-ND2 2.86Å; L663-N666 PolarHBondContact O-N 3.29Å; N666-Q669 PolarHBondContact O-N 2.89Å; N666-R670 VanDerWaalsContact O-CB 3.24Å; N666-R670 WeakPolarHBondContact O-CB 3.44Å; N666-R670 PolarHBondContact O-N 2.81Å
667	Q	97.7	Very high	96.5	Very high	11 Å²	11	51.7 Å²	51.7	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-43.1	175.5	-175.3	64.9	47.8	0	0	111.7	W641 L663 L664 V665 Q669 R670 N671 F672 A674 I675	W641-Q667 HydrophobicContact CZ2-CG 4.12Å; W641-Q667 VanDerWaalsContact NE1-CG 3.34Å; L663-Q667 WeakPolarHBondContact O-CB 3.26Å; L663-Q667 PolarHBondContact O-N 2.97Å; L664-Q667 WeakPolarHBondContact O-CB 3.26Å; L664-Q667 PolarHBondContact O-N 2.86Å; V665-Q667 VanDerWaalsContact C-N 3.3Å; V665-Q667 PolarHBondContact O-N 3.02Å; Q667-Q669 VanDerWaalsContact C-N 3.29Å; Q667-Q669 PolarHBondContact O-N 3.21Å; Q667-R670 PolarHBondContact O-N 3.14Å; Q667-N671 PolarHBondContact NE2-O 3.42Å; Q667-N671 CarbonylContact O-C 3.59Å; Q667-N671 PolarHBondContact O-N 2.77Å; Q667-F672 PolarHBondContact O-N 3.45Å; Q667-A674 HydrophobicContact CG-CB 4.28Å; Q667-A674 VanDerWaalsContact NE2-CB 3.31Å; Q667-I675 HydrophobicContact CB-CD1 4.09Å; Q667-I675 HydrophobicContact CG-CD1 3.89Å; Q667-I675 HydrophobicContact CG-CG1 4.09Å
668	L	98.2	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.2	173.8	-73.3	169.5	0	0	0	111.2	L664 V665 F672 I675 R680 I683 A704 Y707	L664-L668 WeakPolarHBondContact O-CG 3.1Å; L664-L668 PolarHBondContact O-N 2.84Å; V665-L668 PolarHBondContact O-N 2.99Å; L668-F672 HydrophobicContact CD2-CB 4.07Å; L668-F672 WeakPolarHBondContact O-CB 3.28Å; L668-F672 PolarHBondContact O-N 3.24Å; L668-I675 HydrophobicContact CD2-CD1 3.99Å; L668-I675 HydrophobicContact CG-CD1 4.04Å; L668-R680 HydrophobicContact CD2-CB 4.4Å; L668-R680 HydrophobicContact CD2-CG 3.87Å; L668-I683 HydrophobicContact CD1-CG2 3.93Å; L668-A704 HydrophobicContact CD1-CB 4.45Å; L668-Y707 HydrophobicContact CB-CD1 3.7Å; L668-Y707 HydrophobicContact CB-CE1 4Å; L668-Y707 HydrophobicContact CB-CG 4.12Å; L668-Y707 HydrophobicContact CD1-CD1 4.38Å; L668-Y707 HydrophobicContact CD1-CE1 3.97Å; L668-Y707 HydrophobicContact CD2-CD1 4.28Å; L668-Y707 HydrophobicContact CD2-CE1 3.74Å; L668-Y707 HydrophobicContact CD2-CE2 4.23Å; L668-Y707 HydrophobicContact CG-CD1 4.33Å; L668-Y707 HydrophobicContact CG-CE1 4.11Å; L668-Y707 VanDerWaalsContact O-CB 3.29Å; L668-Y707 WeakPolarHBondContact O-CB 3.48Å
669	Q	97.5	Very high	96.6	Very high	64 Å²	64	47.4 Å²	47.4	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-72.6	-36.8	178.6	-66.7	179	24.8	0	0	113	V665 N666 Q667 N703 K706 R710	V665-Q669 WeakPolarHBondContact O-CG 3.29Å; V665-Q669 PolarHBondContact O-N 3.1Å; N666-Q669 PolarHBondContact O-N 2.89Å; Q667-Q669 VanDerWaalsContact C-N 3.29Å; Q667-Q669 PolarHBondContact O-N 3.21Å; Q669-N703 PolarHBondContact NE2-O 3.42Å; Q669-K706 HydrophobicContact CG-CB 4.38Å; Q669-R710 PolarHBondContact O-NH1 3.21Å; Q669-R710 VanDerWaalsContact O-NH1 3.12Å; Q669-R710 PolarHBondContact O-NH2 3.44Å
670	R	96.7	Very high	96.7	Very high	189 Å²	189	41.9 Å²	41.9	71%	0.713	20%	0.203	S	C	*	.	H	α-helix	trans	-76.1	-56.9	-179.3	-175.4	178.4	68.7	141.2	-1.7	112.3	N666 Q667	N666-R670 VanDerWaalsContact O-CB 3.24Å; N666-R670 WeakPolarHBondContact O-CB 3.44Å; N666-R670 PolarHBondContact O-N 2.81Å; Q667-R670 PolarHBondContact O-N 3.14Å
671	N	96.5	Very high	96.7	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-154.4	86.4	-180	175.4	13.2	0	0	0	109.3	Q667 M673 A674	Q667-N671 PolarHBondContact NE2-O 3.42Å; Q667-N671 CarbonylContact O-C 3.59Å; Q667-N671 PolarHBondContact O-N 2.77Å; N671-M673 PolarHBondContact O-N 3.15Å; N671-M673 WeakPolarHBondContact OD1-CB 3.49Å; N671-M673 PolarHBondContact OD1-N 2.63Å; N671-A674 WeakPolarHBondContact O-CB 3.17Å; N671-A674 PolarHBondContact O-N 2.85Å
672	F	96.7	Very high	96.7	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.075	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61.1	-24.6	179.6	63.6	-82.9	0	0	0	113.7	Q667 L668 A674 I675 R680 Y707 R710	Q667-F672 PolarHBondContact O-N 3.45Å; L668-F672 HydrophobicContact CD2-CB 4.07Å; L668-F672 WeakPolarHBondContact O-CB 3.28Å; L668-F672 PolarHBondContact O-N 3.24Å; F672-A674 PolarHBondContact O-N 3.49Å; F672-I675 PolarHBondContact O-N 3.2Å; F672-R680 WeakPolarHBondContact O-CD 3.45Å; F672-R680 PolarHBondContact O-NH1 3.23Å; F672-Y707 HydrophobicContact CB-CD2 3.51Å; F672-Y707 HydrophobicContact CB-CE2 3.61Å; F672-Y707 HydrophobicContact CB-CG 4.31Å; F672-Y707 AromaticContact CD1-CD2 3.81Å; F672-Y707 HydrophobicContact CD1-CD2 3.81Å; F672-Y707 HydrophobicContact CD1-CE2 4.42Å; F672-Y707 HydrophobicContact CD2-CD2 4.08Å; F672-Y707 AromaticContact CD2-CE2 3.86Å; F672-Y707 HydrophobicContact CD2-CE2 3.86Å; F672-Y707 AromaticContact CG-CD2 3.54Å; F672-Y707 HydrophobicContact CG-CD2 3.54Å; F672-Y707 AromaticContact CG-CE2 3.73Å; F672-Y707 HydrophobicContact CG-CE2 3.73Å; F672-R710 HydrophobicContact CE1-CB 3.78Å; F672-R710 HydrophobicContact CZ-CB 4.27Å; F672-R710 WeakPolarHBondContact CZ-O 3.43Å
673	M	95.3	Very high	96.8	Very high	105 Å²	105	36.3 Å²	36.3	52%	0.517	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-67.8	-15.4	179.9	-64.6	-61.7	-168.7	0	0	113.5	N671 I675	N671-M673 PolarHBondContact O-N 3.15Å; N671-M673 WeakPolarHBondContact OD1-CB 3.49Å; N671-M673 PolarHBondContact OD1-N 2.63Å; M673-I675 PolarHBondContact O-N 2.81Å
674	A	94.5	Very high	96.9	Very high	35 Å²	35	34 Å²	34	29%	0.289	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.6	171.2	0	0	0	0	0	113.2	W641 Q667 N671 F672	W641-A674 HydrophobicContact CZ2-CB 4.49Å; Q667-A674 HydrophobicContact CG-CB 4.28Å; Q667-A674 VanDerWaalsContact NE2-CB 3.31Å; N671-A674 WeakPolarHBondContact O-CB 3.17Å; N671-A674 PolarHBondContact O-N 2.85Å; F672-A674 PolarHBondContact O-N 3.49Å
675	I	95.7	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-104.8	128	176	-62.6	169	0	0	0	108.1	W641 L664 Q667 L668 F672 M673 R680 I683	W641-I675 HydrophobicContact CH2-CG1 3.94Å; W641-I675 HydrophobicContact CZ2-CG1 3.99Å; W641-I675 HydrophobicContact CZ3-CG1 4.44Å; L664-I675 HydrophobicContact CD2-CD1 4.17Å; Q667-I675 HydrophobicContact CB-CD1 4.09Å; Q667-I675 HydrophobicContact CG-CD1 3.89Å; Q667-I675 HydrophobicContact CG-CG1 4.09Å; L668-I675 HydrophobicContact CD2-CD1 3.99Å; L668-I675 HydrophobicContact CG-CD1 4.04Å; F672-I675 PolarHBondContact O-N 3.2Å; M673-I675 PolarHBondContact O-N 2.81Å; I675-R680 HydrophobicContact CB-CG 3.94Å; I675-R680 HydrophobicContact CG2-CG 3.67Å; I675-R680 PolarHBondContact O-NH1 3.18Å; I675-I683 HydrophobicContact CD1-CD1 4.18Å; I675-I683 HydrophobicContact CG2-CD1 4.09Å
676	P	94.7	Very high	96.8	Very high	25 Å²	25	34.4 Å²	34.4	16%	0.162	17%	0.169	C	C	.	.			trans	-56	147.9	178.1	-26	34.4	0	0	0	113.1	W617 Y678 S679 R680	W617-P676 HydrophobicContact CB-CG 3.88Å; W617-P676 HydrophobicContact CD2-CG 3.25Å; W617-P676 HydrophobicContact CE3-CG 3.68Å; W617-P676 HydrophobicContact CG-CG 3.35Å; W617-P676 HydrophobicContact CZ2-CG 4.33Å; W617-P676 HydrophobicContact CZ3-CG 4.37Å; P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.5Å; P676-S679 WeakPolarHBondContact O-CA 3.14Å; P676-S679 WeakPolarHBondContact O-CB 3.18Å; P676-S679 PolarHBondContact O-N 2.98Å; P676-R680 WeakPolarHBondContact O-CG 3.14Å; P676-R680 PolarHBondContact O-N 3.43Å
677	V	95.2	Very high	96.8	Very high	36 Å²	36	29.9 Å²	29.9	22%	0.218	15%	0.145	C	C	.	.	H	α-helix	trans	-52.4	-46.5	-174.3	-178.8	0	0	0	0	112.9	S679 R680 T681 Q713 I715 V716	V677-S679 VanDerWaalsContact C-N 3.29Å; V677-S679 PolarHBondContact O-N 3.38Å; V677-R680 PolarHBondContact O-N 2.87Å; V677-T681 PolarHBondContact O-N 3.42Å; V677-T681 VanDerWaalsContact O-N 3.11Å; V677-T681 PolarHBondContact O-OG1 3.48Å; V677-T681 VanDerWaalsContact O-OG1 3.12Å; V677-Q713 HydrophobicContact CG1-CB 3.77Å; V677-Q713 HydrophobicContact CG1-CG 3.79Å; V677-Q713 HydrophobicContact CG2-CG 3.92Å; V677-I715 HydrophobicContact CG1-CG2 3.47Å; V677-I715 VanDerWaalsContact CG1-CG2 3.47Å; V677-V716 HydrophobicContact CG1-CG2 4.13Å
678	Y	95.5	Very high	96.8	Very high	43 Å²	43	30.8 Å²	30.8	17%	0.169	15%	0.148	C	C	.	.	H	α-helix	trans	-70.3	-30.2	-178.4	-59.3	-6.7	0	0	0	111.6	D454 E455 I458 R647 Q648 P676 T681 Q682 I715	D454-Y678 HydrophobicContact CB-CE2 4.16Å; D454-Y678 WeakPolarHBondContact CB-OH 3.16Å; E455-Y678 HydrophobicContact CG-CE1 3.58Å; I458-Y678 HydrophobicContact CD1-CD1 4.19Å; I458-Y678 HydrophobicContact CD1-CD2 3.48Å; I458-Y678 VanDerWaalsContact CD1-CD2 3.48Å; I458-Y678 HydrophobicContact CD1-CE2 3.84Å; I458-Y678 HydrophobicContact CD1-CG 3.69Å; R647-Y678 HydrophobicContact CB-CD2 4.07Å; R647-Y678 HydrophobicContact CG-CD2 4.38Å; Q648-Y678 PolarHBondContact NE2-O 2.78Å; P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.5Å; Y678-T681 VanDerWaalsContact O-CB 3.32Å; Y678-T681 WeakPolarHBondContact O-CB 3.26Å; Y678-T681 PolarHBondContact O-N 3.44Å; Y678-Q682 PolarHBondContact O-N 3.13Å; Y678-I715 HydrophobicContact CD1-CD1 4.02Å; Y678-I715 HydrophobicContact CD1-CG2 4.49Å; Y678-I715 HydrophobicContact CE1-CD1 4.38Å
679	S	96.1	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-76.1	-31.2	175.8	-58.9	0	0	0	0	112.3	L643 P676 V677 T681 Q682 I683	L643-S679 VanDerWaalsContact CD2-CB 3.4Å; L643-S679 WeakPolarHBondContact CD2-OG 3.36Å; P676-S679 WeakPolarHBondContact O-CA 3.14Å; P676-S679 WeakPolarHBondContact O-CB 3.18Å; P676-S679 PolarHBondContact O-N 2.98Å; V677-S679 VanDerWaalsContact C-N 3.29Å; V677-S679 PolarHBondContact O-N 3.38Å; S679-T681 VanDerWaalsContact C-N 3.3Å; S679-Q682 WeakPolarHBondContact O-CB 3.42Å; S679-Q682 PolarHBondContact O-N 3.43Å; S679-I683 WeakPolarHBondContact O-CD1 3.11Å; S679-I683 VanDerWaalsContact O-CG1 3.24Å; S679-I683 WeakPolarHBondContact O-CG1 3.27Å; S679-I683 PolarHBondContact O-N 2.88Å
680	R	97.6	Very high	96.7	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-41.8	167.9	-61.7	-162.1	-63.1	-102.5	15.3	111.4	L668 F672 I675 P676 V677 I683 L684 E711 V716	L668-R680 HydrophobicContact CD2-CB 4.4Å; L668-R680 HydrophobicContact CD2-CG 3.87Å; F672-R680 WeakPolarHBondContact O-CD 3.45Å; F672-R680 PolarHBondContact O-NH1 3.23Å; I675-R680 HydrophobicContact CB-CG 3.94Å; I675-R680 HydrophobicContact CG2-CG 3.67Å; I675-R680 PolarHBondContact O-NH1 3.18Å; P676-R680 WeakPolarHBondContact O-CG 3.14Å; P676-R680 PolarHBondContact O-N 3.43Å; V677-R680 PolarHBondContact O-N 2.87Å; R680-I683 PolarHBondContact O-N 2.94Å; R680-L684 WeakPolarHBondContact O-CG 3.38Å; R680-L684 PolarHBondContact O-N 3.22Å; R680-E711 IonicContact CZ-OE2 3.29Å; R680-E711 IonicContact NE-OE2 2.92Å; R680-E711 PolarHBondContact NE-OE2 3.2Å; R680-E711 IonicContact NH2-OE1 3.86Å; R680-E711 PolarHBondContact NH2-OE1 3.16Å; R680-E711 IonicContact NH2-OE2 3.71Å; R680-E711 PolarHBondContact NH2-OE2 3.49Å; R680-V716 HydrophobicContact CB-CG2 4.25Å
681	T	97.1	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-48.2	173.8	-58.7	0	0	0	0	111.2	I463 V677 Y678 S679 I683 L684 N685 I715 T719	I463-T681 HydrophobicContact CD1-CG2 3.83Å; V677-T681 PolarHBondContact O-N 3.42Å; V677-T681 VanDerWaalsContact O-N 3.11Å; V677-T681 PolarHBondContact O-OG1 3.48Å; V677-T681 VanDerWaalsContact O-OG1 3.12Å; Y678-T681 VanDerWaalsContact O-CB 3.32Å; Y678-T681 WeakPolarHBondContact O-CB 3.26Å; Y678-T681 PolarHBondContact O-N 3.44Å; S679-T681 VanDerWaalsContact C-N 3.3Å; T681-I683 PolarHBondContact O-N 2.97Å; T681-L684 PolarHBondContact O-N 3.37Å; T681-N685 WeakPolarHBondContact O-CB 3.45Å; T681-N685 PolarHBondContact O-N 2.93Å; T681-I715 HydrophobicContact CG2-CD1 4.21Å; T681-I715 HydrophobicContact CG2-CG1 3.94Å; T681-T719 HydrophobicContact CG2-CG2 3.81Å; T681-T719 WeakPolarHBondContact CG2-OG1 2.91Å
682	Q	98	Very high	96.5	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-49.2	176.3	-173.9	-176.5	-52	0	0	112	L644 N645 Q648 Y678 S679 L684 N685 D686	L644-Q682 PolarHBondContact O-NE2 2.88Å; N645-Q682 PolarHBondContact O-OE1 2.64Å; Q648-Q682 HydrophobicContact CG-CB 3.68Å; Q648-Q682 HydrophobicContact CG-CG 4.03Å; Q648-Q682 VanDerWaalsContact CG-OE1 3.3Å; Y678-Q682 PolarHBondContact O-N 3.13Å; S679-Q682 WeakPolarHBondContact O-CB 3.42Å; S679-Q682 PolarHBondContact O-N 3.43Å; Q682-L684 VanDerWaalsContact C-N 3.31Å; Q682-L684 PolarHBondContact O-N 3.44Å; Q682-N685 PolarHBondContact O-N 3.3Å; Q682-D686 VanDerWaalsContact O-CB 3.3Å; Q682-D686 WeakPolarHBondContact O-CB 3.45Å; Q682-D686 PolarHBondContact O-N 3.5Å
683	I	98.3	Very high	96.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-56.1	-47.4	-179.5	-71.6	162.5	0	0	0	110.6	L643 W661 L664 L668 I675 S679 R680 T681 L687	L643-I683 HydrophobicContact CD1-CD1 4.35Å; L643-I683 HydrophobicContact CD1-CG1 4.42Å; W661-I683 HydrophobicContact CZ3-CG2 4.16Å; L664-I683 HydrophobicContact CD1-CD1 4.47Å; L664-I683 HydrophobicContact CD2-CD1 4.23Å; L668-I683 HydrophobicContact CD1-CG2 3.93Å; I675-I683 HydrophobicContact CD1-CD1 4.18Å; I675-I683 HydrophobicContact CG2-CD1 4.09Å; S679-I683 WeakPolarHBondContact O-CD1 3.11Å; S679-I683 VanDerWaalsContact O-CG1 3.24Å; S679-I683 WeakPolarHBondContact O-CG1 3.27Å; S679-I683 PolarHBondContact O-N 2.88Å; R680-I683 PolarHBondContact O-N 2.94Å; T681-I683 PolarHBondContact O-N 2.97Å; I683-L687 HydrophobicContact CG2-CD1 3.75Å; I683-L687 HydrophobicContact CG2-CG 4.37Å; I683-L687 WeakPolarHBondContact O-CB 3.38Å; I683-L687 VanDerWaalsContact O-CG 3.23Å; I683-L687 WeakPolarHBondContact O-CG 3.27Å; I683-L687 PolarHBondContact O-N 3.48Å
684	L	98.3	Very high	96	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-68.8	-40.4	-179.5	-66	173.1	0	0	0	112.3	R680 T681 Q682 F688 A704 T705 Y707 L708 V716 S720	R680-L684 WeakPolarHBondContact O-CG 3.38Å; R680-L684 PolarHBondContact O-N 3.22Å; T681-L684 PolarHBondContact O-N 3.37Å; Q682-L684 VanDerWaalsContact C-N 3.31Å; Q682-L684 PolarHBondContact O-N 3.44Å; L684-F688 VanDerWaalsContact O-CB 3.3Å; L684-F688 WeakPolarHBondContact O-CB 3.35Å; L684-F688 PolarHBondContact O-N 3.14Å; L684-F688 VanDerWaalsContact O-N 3.08Å; L684-A704 HydrophobicContact CD2-CB 3.89Å; L684-T705 HydrophobicContact CD2-CG2 4.27Å; L684-Y707 HydrophobicContact CD1-CE1 4.43Å; L684-L708 HydrophobicContact CD1-CD2 4Å; L684-V716 HydrophobicContact CD1-CG1 3.64Å; L684-S720 VanDerWaalsContact CD1-OG 3.3Å; L684-S720 WeakPolarHBondContact CD1-OG 3.49Å
685	N	97.8	Very high	96	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-44.8	177.9	-176.6	52.8	0	0	0	112	R653 T681 Q682 S689 T719	R653-N685 PolarHBondContact NH1-ND2 2.89Å; R653-N685 PolarHBondContact NH1-O 2.94Å; T681-N685 WeakPolarHBondContact O-CB 3.45Å; T681-N685 PolarHBondContact O-N 2.93Å; Q682-N685 PolarHBondContact O-N 3.3Å; N685-S689 WeakPolarHBondContact O-CB 3.21Å; N685-S689 PolarHBondContact O-N 3.4Å; N685-T719 HydrophobicContact CB-CG2 3.83Å
686	D	98.1	Very high	96	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.011	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-49.6	178.6	-77.6	-3.7	0	0	0	110.6	R653 V654 W661 Q682 F688 S689 L690	R653-D686 WeakPolarHBondContact CG-OD1 3.09Å; R653-D686 IonicContact CZ-OD1 3.38Å; R653-D686 IonicContact NH1-OD1 3.7Å; R653-D686 PolarHBondContact NH1-OD1 3.18Å; V654-D686 PolarHBondContact N-OD2 3.43Å; W661-D686 HydrophobicContact CH2-CB 4.48Å; Q682-D686 VanDerWaalsContact O-CB 3.3Å; Q682-D686 WeakPolarHBondContact O-CB 3.45Å; Q682-D686 PolarHBondContact O-N 3.5Å; D686-F688 VanDerWaalsContact C-N 3.3Å; D686-F688 PolarHBondContact O-N 2.71Å; D686-S689 PolarHBondContact O-N 3.27Å; D686-S689 VanDerWaalsContact O-N 3.11Å; D686-L690 HydrophobicContact CB-CD1 4.48Å; D686-L690 VanDerWaalsContact O-CB 3.28Å; D686-L690 WeakPolarHBondContact O-CB 3.42Å; D686-L690 WeakPolarHBondContact O-CG 3.33Å; D686-L690 PolarHBondContact O-N 2.97Å
687	L	98.2	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.3	-43.2	177.7	-76.7	175.9	0	0	0	112.1	W661 V665 I683 A691 V696 L700 F701 A704	W661-L687 HydrophobicContact CD2-CD2 3.82Å; W661-L687 HydrophobicContact CE3-CD1 4.31Å; W661-L687 HydrophobicContact CE3-CD2 3.73Å; W661-L687 HydrophobicContact CE3-CG 4.1Å; W661-L687 HydrophobicContact CH2-CD2 3.95Å; W661-L687 HydrophobicContact CH2-CG 4.05Å; W661-L687 HydrophobicContact CZ2-CD2 4.01Å; W661-L687 HydrophobicContact CZ3-CD1 4.24Å; W661-L687 HydrophobicContact CZ3-CD2 3.82Å; W661-L687 HydrophobicContact CZ3-CG 3.8Å; V665-L687 HydrophobicContact CG2-CD1 4.41Å; I683-L687 HydrophobicContact CG2-CD1 3.75Å; I683-L687 HydrophobicContact CG2-CG 4.37Å; I683-L687 WeakPolarHBondContact O-CB 3.38Å; I683-L687 VanDerWaalsContact O-CG 3.23Å; I683-L687 WeakPolarHBondContact O-CG 3.27Å; I683-L687 PolarHBondContact O-N 3.48Å; L687-A691 WeakPolarHBondContact O-CB 3.4Å; L687-A691 PolarHBondContact O-N 2.79Å; L687-V696 HydrophobicContact CD2-CG2 4.18Å; L687-L700 HydrophobicContact CD2-CD2 3.55Å; L687-L700 HydrophobicContact CD2-CG 3.79Å; L687-F701 HydrophobicContact CB-CB 4.06Å; L687-F701 HydrophobicContact CB-CD2 4.07Å; L687-A704 HydrophobicContact CD1-CB 3.48Å; L687-A704 VanDerWaalsContact CD1-CB 3.48Å
688	F	97.4	Very high	96.1	Very high	29 Å²	29	19.4 Å²	19.4	13%	0.127	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-45.2	176.3	-180	-111.9	0	0	0	111.9	L684 D686 N692 Y698 F701 A723 Y726 I727	L684-F688 VanDerWaalsContact O-CB 3.3Å; L684-F688 WeakPolarHBondContact O-CB 3.35Å; L684-F688 PolarHBondContact O-N 3.14Å; L684-F688 VanDerWaalsContact O-N 3.08Å; D686-F688 VanDerWaalsContact C-N 3.3Å; D686-F688 PolarHBondContact O-N 2.71Å; F688-N692 VanDerWaalsContact CE1-ND2 3.28Å; F688-N692 WeakPolarHBondContact CE1-ND2 3.28Å; F688-N692 WeakPolarHBondContact CE2-ND2 3.37Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.48Å; F688-N692 PolarHBondContact O-N 3.01Å; F688-N692 VanDerWaalsContact O-N 3.14Å; F688-N692 PolarHBondContact O-ND2 3.01Å; F688-Y698 WeakPolarHBondContact CE2-OH 3.22Å; F688-F701 HydrophobicContact CB-CD2 3.77Å; F688-F701 HydrophobicContact CB-CE2 3.67Å; F688-F701 HydrophobicContact CB-CG 4.35Å; F688-F701 HydrophobicContact CB-CZ 4.17Å; F688-F701 HydrophobicContact CD2-CD1 4.19Å; F688-F701 AromaticContact CD2-CE1 3.85Å; F688-F701 HydrophobicContact CD2-CE1 3.85Å; F688-F701 HydrophobicContact CD2-CE2 4.24Å; F688-F701 AromaticContact CD2-CZ 3.88Å; F688-F701 HydrophobicContact CD2-CZ 3.88Å; F688-F701 HydrophobicContact CG-CE2 4.35Å; F688-F701 HydrophobicContact CG-CZ 4.36Å; F688-A723 HydrophobicContact CB-CB 4.29Å; F688-A723 HydrophobicContact CD1-CB 3.88Å; F688-A723 HydrophobicContact CD2-CB 3.56Å; F688-A723 HydrophobicContact CE1-CB 4.05Å; F688-A723 HydrophobicContact CE2-CB 3.71Å; F688-A723 HydrophobicContact CG-CB 3.63Å; F688-A723 HydrophobicContact CZ-CB 3.97Å; F688-Y726 HydrophobicContact CE2-CD1 4.28Å; F688-Y726 AromaticContact CZ-CD1 3.63Å; F688-Y726 HydrophobicContact CZ-CD1 3.63Å; F688-Y726 HydrophobicContact CZ-CE1 4.43Å; F688-Y726 AromaticContact CZ-CG 3.91Å; F688-Y726 HydrophobicContact CZ-CG 3.91Å; F688-I727 HydrophobicContact CE2-CD1 4.31Å; F688-I727 HydrophobicContact CE2-CG1 4.24Å
689	S	96	Very high	96.2	Very high	14 Å²	14	19.4 Å²	19.4	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-51	179.3	-158.5	0	0	0	0	110.8	Y586 R653 N685 D686 A691 N692 H693	Y586-S689 WeakPolarHBondContact OH-CB 3.09Å; Y586-S689 PolarHBondContact OH-O 2.99Å; Y586-S689 PolarHBondContact OH-OG 3.43Å; R653-S689 VanDerWaalsContact CZ-CB 3.48Å; R653-S689 PolarHBondContact NH2-OG 3.29Å; N685-S689 WeakPolarHBondContact O-CB 3.21Å; N685-S689 PolarHBondContact O-N 3.4Å; D686-S689 PolarHBondContact O-N 3.27Å; D686-S689 VanDerWaalsContact O-N 3.11Å; S689-A691 VanDerWaalsContact C-N 3.31Å; S689-A691 PolarHBondContact O-N 2.67Å; S689-N692 PolarHBondContact O-N 3.35Å; S689-H693 PolarHBondContact O-N 3.45Å; S689-H693 PolarHBondContact O-ND1 3.37Å
690	L	96.7	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-38.9	178.6	-65.1	176.8	0	0	0	112.1	L568 Y586 H655 W661 D686 H693 H694 I695 V696	L568-L690 HydrophobicContact CD1-CD2 3.85Å; L568-L690 HydrophobicContact CD2-CD2 4.27Å; Y586-L690 HydrophobicContact CE2-CD2 3.91Å; H655-L690 HydrophobicContact CB-CD1 4.15Å; W661-L690 HydrophobicContact CZ2-CD1 3.82Å; D686-L690 HydrophobicContact CB-CD1 4.48Å; D686-L690 VanDerWaalsContact O-CB 3.28Å; D686-L690 WeakPolarHBondContact O-CB 3.42Å; D686-L690 WeakPolarHBondContact O-CG 3.33Å; D686-L690 PolarHBondContact O-N 2.97Å; L690-H693 CarbonylContact O-C 3.43Å; L690-H693 PolarHBondContact O-N 2.91Å; L690-H693 VanDerWaalsContact O-N 3.15Å; L690-H694 PolarHBondContact O-N 3.07Å; L690-I695 HydrophobicContact CB-CB 4.15Å; L690-I695 HydrophobicContact CB-CG2 4.48Å; L690-I695 HydrophobicContact CD2-CB 4.13Å; L690-I695 HydrophobicContact CD2-CD1 3.59Å; L690-I695 HydrophobicContact CD2-CG1 4.46Å; L690-I695 HydrophobicContact CD2-CG2 4.02Å; L690-I695 PolarHBondContact O-N 2.04Å; L690-V696 HydrophobicContact CB-CG1 4.27Å; L690-V696 HydrophobicContact CB-CG2 3.72Å; L690-V696 HydrophobicContact CD1-CG1 4.39Å
691	A	95.8	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-45	176.4	0	0	0	0	0	112.1	L687 S689 H693 H694 V696 Y698 F701 F966	L687-A691 WeakPolarHBondContact O-CB 3.4Å; L687-A691 PolarHBondContact O-N 2.79Å; S689-A691 VanDerWaalsContact C-N 3.31Å; S689-A691 PolarHBondContact O-N 2.67Å; A691-H693 PolarHBondContact O-N 2.95Å; A691-H693 VanDerWaalsContact O-N 3.08Å; A691-H694 PolarHBondContact O-N 3.44Å; A691-H694 VanDerWaalsContact O-N 3.09Å; A691-V696 WeakPolarHBondContact CA-O 3.44Å; A691-V696 HydrophobicContact CB-CG2 4.08Å; A691-Y698 HydrophobicContact CB-CD2 3.83Å; A691-Y698 HydrophobicContact CB-CE2 4.12Å; A691-Y698 HydrophobicContact CB-CG 4.15Å; A691-F701 HydrophobicContact CB-CB 4.43Å; A691-F966 WeakPolarHBondContact O-CZ 3.24Å
692	N	92.5	Very high	96.4	Very high	24 Å²	24	20.5 Å²	20.5	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-13.2	175.4	-71	-47.3	0	0	0	113.6	F688 S689 Y698 W962	F688-N692 VanDerWaalsContact CE1-ND2 3.28Å; F688-N692 WeakPolarHBondContact CE1-ND2 3.28Å; F688-N692 WeakPolarHBondContact CE2-ND2 3.37Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.48Å; F688-N692 PolarHBondContact O-N 3.01Å; F688-N692 VanDerWaalsContact O-N 3.14Å; F688-N692 PolarHBondContact O-ND2 3.01Å; S689-N692 PolarHBondContact O-N 3.35Å; N692-Y698 VanDerWaalsContact OD1-CE2 3.3Å; N692-Y698 WeakPolarHBondContact OD1-CE2 3.43Å; N692-Y698 PolarHBondContact OD1-OH 3.16Å; N692-W962 PolarHBondContact OD1-NE1 3.19Å
693	H	90.7	Very high	96.4	Very high	31 Å²	31	22.5 Å²	22.5	14%	0.144	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	13.8	177.7	-65.4	77.5	0	0	0	113	Y586 L587 Q588 S689 L690 A691 I695	Y586-H693 PolarHBondContact OH-CE1 3.25Å; Y586-H693 VanDerWaalsContact OH-CE1 3.31Å; Y586-H693 PolarHBondContact OH-ND1 3.09Å; Y586-H693 VanDerWaalsContact OH-ND1 3.07Å; L587-H693 PolarHBondContact O-CD2 2.86Å; Q588-H693 VanDerWaalsContact CA-NE2 3.35Å; Q588-H693 WeakPolarHBondContact CA-NE2 3.3Å; S689-H693 PolarHBondContact O-N 3.45Å; S689-H693 PolarHBondContact O-ND1 3.37Å; L690-H693 CarbonylContact O-C 3.43Å; L690-H693 PolarHBondContact O-N 2.91Å; L690-H693 VanDerWaalsContact O-N 3.15Å; A691-H693 PolarHBondContact O-N 2.95Å; A691-H693 VanDerWaalsContact O-N 3.08Å; H693-I695 HydrophobicContact CB-CD1 4.05Å; H693-I695 HydrophobicContact CB-CG1 4.21Å; H693-I695 PolarHBondContact O-N 3.32Å; H693-I695 VanDerWaalsContact O-N 3.09Å
694	H	91.8	Very high	96.4	Very high	96 Å²	96	22.4 Å²	22.4	44%	0.444	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	16.8	-179.1	-55.7	92.4	0	0	0	115.1	L690 A691 D965 F966	L690-H694 PolarHBondContact O-N 3.07Å; A691-H694 PolarHBondContact O-N 3.44Å; A691-H694 VanDerWaalsContact O-N 3.09Å; H694-D965 IonicContact CE1-OD2 3.18Å; H694-D965 PolarHBondContact CE1-OD2 3.08Å; H694-D965 IonicContact NE2-OD2 2.81Å; H694-D965 PolarHBondContact NE2-OD2 3.31Å; H694-F966 AromaticContact CD2-CE1 3.74Å; H694-F966 AromaticContact CD2-CZ 3.63Å; H694-F966 AromaticContact CE1-CZ 3.56Å; H694-F966 AromaticContact NE2-CE1 3.64Å; H694-F966 AromaticContact NE2-CZ 3.24Å; H694-F966 WeakPolarHBondContact NE2-CZ 3.37Å
695	I	94.4	Very high	96.4	Very high	63 Å²	63	22.3 Å²	22.3	32%	0.323	12%	0.119	S	C	.	.	S	Bend	trans	-79.9	-33.1	178.4	-62.5	167.1	0	0	0	110.5	L568 Y586 L690 H693	L568-I695 HydrophobicContact CD2-CD1 4.07Å; Y586-I695 HydrophobicContact CE2-CD1 3.98Å; L690-I695 HydrophobicContact CB-CB 4.15Å; L690-I695 HydrophobicContact CB-CG2 4.48Å; L690-I695 HydrophobicContact CD2-CB 4.13Å; L690-I695 HydrophobicContact CD2-CD1 3.59Å; L690-I695 HydrophobicContact CD2-CG1 4.46Å; L690-I695 HydrophobicContact CD2-CG2 4.02Å; L690-I695 PolarHBondContact O-N 2.04Å; H693-I695 HydrophobicContact CB-CD1 4.05Å; H693-I695 HydrophobicContact CB-CG1 4.21Å; H693-I695 PolarHBondContact O-N 3.32Å; H693-I695 VanDerWaalsContact O-N 3.09Å
696	V	96.3	Very high	96.3	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.036	13%	0.13	C	C	.	.	S	Bend	trans	-132.1	156	173.3	-58.5	0	0	0	0	110.5	L687 L690 A691 L700	L687-V696 HydrophobicContact CD2-CG2 4.18Å; L690-V696 HydrophobicContact CB-CG1 4.27Å; L690-V696 HydrophobicContact CB-CG2 3.72Å; L690-V696 HydrophobicContact CD1-CG1 4.39Å; A691-V696 WeakPolarHBondContact CA-O 3.44Å; A691-V696 HydrophobicContact CB-CG2 4.08Å; V696-L700 HydrophobicContact CB-CD2 4.02Å; V696-L700 HydrophobicContact CG1-CD2 4.28Å; V696-L700 HydrophobicContact CG2-CD2 4.41Å
697	P	96.1	Very high	96.3	Very high	74 Å²	74	24.7 Å²	24.7	48%	0.481	13%	0.129	S	C	.	.			trans	-63.1	141.2	174.7	-20.2	31.7	0	0	0	112.1	T699 L700	P697-T699 PolarHBondContact O-N 3.45Å; P697-L700 VanDerWaalsContact O-CB 3.28Å; P697-L700 WeakPolarHBondContact O-CB 3.37Å; P697-L700 PolarHBondContact O-N 3.47Å
698	Y	96.1	Very high	96.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-32.9	175.7	-133.3	-77.9	0	0	0	112.7	F688 A691 N692 L700 F701 L702 I727 W962 F966 I970	F688-Y698 WeakPolarHBondContact CE2-OH 3.22Å; A691-Y698 HydrophobicContact CB-CD2 3.83Å; A691-Y698 HydrophobicContact CB-CE2 4.12Å; A691-Y698 HydrophobicContact CB-CG 4.15Å; N692-Y698 VanDerWaalsContact OD1-CE2 3.3Å; N692-Y698 WeakPolarHBondContact OD1-CE2 3.43Å; N692-Y698 PolarHBondContact OD1-OH 3.16Å; Y698-L700 PolarHBondContact O-N 2.83Å; Y698-F701 HydrophobicContact CD1-CD1 4.19Å; Y698-F701 AromaticContact CE1-CD1 3.9Å; Y698-F701 HydrophobicContact CE1-CD1 3.9Å; Y698-F701 HydrophobicContact CE1-CE1 4.4Å; Y698-F701 WeakPolarHBondContact O-CB 3.5Å; Y698-F701 PolarHBondContact O-N 2.85Å; Y698-F701 VanDerWaalsContact O-N 3.15Å; Y698-L702 HydrophobicContact CD1-CD1 4.47Å; Y698-L702 HydrophobicContact CD1-CG 4.27Å; Y698-L702 WeakPolarHBondContact O-CG 3.43Å; Y698-L702 PolarHBondContact O-N 3.26Å; Y698-I727 HydrophobicContact CE1-CD1 3.97Å; Y698-I727 HydrophobicContact CE1-CG1 4.46Å; Y698-W962 HydrophobicContact CE2-CZ2 4.03Å; Y698-W962 AromaticContact CE2-NE1 4Å; Y698-W962 AromaticContact CZ-CZ2 3.81Å; Y698-W962 WeakPolarHBondContact OH-CZ2 3.19Å; Y698-F966 HydrophobicContact CD2-CB 4.12Å; Y698-F966 AromaticContact CD2-CD1 3.52Å; Y698-F966 HydrophobicContact CD2-CD1 3.52Å; Y698-F966 HydrophobicContact CD2-CD2 4.2Å; Y698-F966 AromaticContact CD2-CE1 3.9Å; Y698-F966 HydrophobicContact CD2-CE1 3.9Å; Y698-F966 AromaticContact CD2-CG 3.67Å; Y698-F966 HydrophobicContact CD2-CG 3.67Å; Y698-F966 HydrophobicContact CD2-CZ 4.38Å; Y698-F966 HydrophobicContact CE2-CB 4.41Å; Y698-F966 HydrophobicContact CE2-CD1 4.25Å; Y698-F966 HydrophobicContact CE2-CD2 4.11Å; Y698-F966 HydrophobicContact CE2-CE2 4.44Å; Y698-F966 AromaticContact CE2-CG 4Å; Y698-F966 HydrophobicContact CE2-CG 4Å; Y698-F966 HydrophobicContact CG-CD1 4.33Å; Y698-I970 HydrophobicContact CD1-CD1 3.73Å; Y698-I970 HydrophobicContact CD1-CG1 3.83Å; Y698-I970 HydrophobicContact CD2-CD1 4.49Å; Y698-I970 HydrophobicContact CE1-CD1 3.79Å; Y698-I970 HydrophobicContact CE1-CG1 4.37Å; Y698-I970 HydrophobicContact CG-CD1 4.1Å; Y698-I970 HydrophobicContact CG-CG1 4.14Å
699	T	97.4	Very high	96	Very high	43 Å²	43	25.6 Å²	25.6	26%	0.264	14%	0.135	S	C	.	.	H	α-helix	trans	-61.5	-27.1	176.1	56.6	0	0	0	0	113	P697 N703 V969 W973	P697-T699 PolarHBondContact O-N 3.45Å; T699-N703 VanDerWaalsContact O-CB 3.27Å; T699-N703 WeakPolarHBondContact O-CB 3.48Å; T699-N703 PolarHBondContact O-N 3.46Å; T699-N703 PolarHBondContact O-ND2 2.98Å; T699-N703 VanDerWaalsContact O-ND2 3.1Å; T699-V969 HydrophobicContact CG2-CG1 3.7Å; T699-W973 HydrophobicContact CG2-CB 4.12Å; T699-W973 HydrophobicContact CG2-CG 4.18Å
700	L	98	Very high	95.9	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-44.7	174.7	-177.1	63.8	0	0	0	111.1	W661 V665 L687 V696 P697 Y698 N703 A704	W661-L700 HydrophobicContact CB-CD1 4.2Å; W661-L700 HydrophobicContact CB-CD2 3.79Å; W661-L700 HydrophobicContact CD2-CD2 4.36Å; W661-L700 HydrophobicContact CG-CD2 3.82Å; V665-L700 HydrophobicContact CG2-CD1 3.96Å; L687-L700 HydrophobicContact CD2-CD2 3.55Å; L687-L700 HydrophobicContact CD2-CG 3.79Å; V696-L700 HydrophobicContact CB-CD2 4.02Å; V696-L700 HydrophobicContact CG1-CD2 4.28Å; V696-L700 HydrophobicContact CG2-CD2 4.41Å; P697-L700 VanDerWaalsContact O-CB 3.28Å; P697-L700 WeakPolarHBondContact O-CB 3.37Å; P697-L700 PolarHBondContact O-N 3.47Å; Y698-L700 PolarHBondContact O-N 2.83Å; L700-N703 PolarHBondContact O-N 2.59Å; L700-A704 PolarHBondContact O-N 3.17Å
701	F	97.9	Very high	95.8	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-49.2	172.3	165.8	-106.1	0	0	0	110.9	L687 F688 A691 Y698 N703 A704 T705 A723 I727	L687-F701 HydrophobicContact CB-CB 4.06Å; L687-F701 HydrophobicContact CB-CD2 4.07Å; F688-F701 HydrophobicContact CB-CD2 3.77Å; F688-F701 HydrophobicContact CB-CE2 3.67Å; F688-F701 HydrophobicContact CB-CG 4.35Å; F688-F701 HydrophobicContact CB-CZ 4.17Å; F688-F701 HydrophobicContact CD2-CD1 4.19Å; F688-F701 AromaticContact CD2-CE1 3.85Å; F688-F701 HydrophobicContact CD2-CE1 3.85Å; F688-F701 HydrophobicContact CD2-CE2 4.24Å; F688-F701 AromaticContact CD2-CZ 3.88Å; F688-F701 HydrophobicContact CD2-CZ 3.88Å; F688-F701 HydrophobicContact CG-CE2 4.35Å; F688-F701 HydrophobicContact CG-CZ 4.36Å; A691-F701 HydrophobicContact CB-CB 4.43Å; Y698-F701 HydrophobicContact CD1-CD1 4.19Å; Y698-F701 AromaticContact CE1-CD1 3.9Å; Y698-F701 HydrophobicContact CE1-CD1 3.9Å; Y698-F701 HydrophobicContact CE1-CE1 4.4Å; Y698-F701 WeakPolarHBondContact O-CB 3.5Å; Y698-F701 PolarHBondContact O-N 2.85Å; Y698-F701 VanDerWaalsContact O-N 3.15Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 2.92Å; F701-A704 WeakPolarHBondContact O-CA 3.41Å; F701-A704 VanDerWaalsContact O-CB 3.31Å; F701-A704 WeakPolarHBondContact O-CB 3.5Å; F701-A704 PolarHBondContact O-N 3.46Å; F701-T705 HydrophobicContact CD2-CG2 4.46Å; F701-T705 HydrophobicContact CE1-CG2 4.2Å; F701-T705 HydrophobicContact CE2-CG2 3.9Å; F701-T705 HydrophobicContact CZ-CG2 3.75Å; F701-T705 PolarHBondContact O-N 3.34Å; F701-A723 HydrophobicContact CE1-CB 4.45Å; F701-A723 HydrophobicContact CE2-CB 4.31Å; F701-A723 HydrophobicContact CZ-CB 3.66Å; F701-I727 HydrophobicContact CE1-CD1 3.97Å
702	L	98.1	Very high	95.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-43.6	179.7	-64.4	173.7	0	0	0	111.7	Y698 A704 T705 I970 W973	Y698-L702 HydrophobicContact CD1-CD1 4.47Å; Y698-L702 HydrophobicContact CD1-CG 4.27Å; Y698-L702 WeakPolarHBondContact O-CG 3.43Å; Y698-L702 PolarHBondContact O-N 3.26Å; L702-A704 VanDerWaalsContact C-N 3.27Å; L702-A704 PolarHBondContact O-N 3.43Å; L702-T705 PolarHBondContact O-N 3.45Å; L702-T705 PolarHBondContact O-OG1 3.42Å; L702-I970 HydrophobicContact CD1-CB 4.45Å; L702-I970 HydrophobicContact CD1-CG1 4.17Å; L702-I970 HydrophobicContact CD1-CG2 4.26Å; L702-W973 VanDerWaalsContact C-CZ2 3.47Å; L702-W973 HydrophobicContact CB-CD2 3.68Å; L702-W973 HydrophobicContact CB-CE3 3.87Å; L702-W973 HydrophobicContact CB-CG 4.37Å; L702-W973 HydrophobicContact CB-CH2 3.79Å; L702-W973 HydrophobicContact CB-CZ2 3.54Å; L702-W973 HydrophobicContact CB-CZ3 3.93Å; L702-W973 HydrophobicContact CD1-CB 4.09Å; L702-W973 HydrophobicContact CD1-CD2 3.64Å; L702-W973 HydrophobicContact CD1-CE3 3.65Å; L702-W973 HydrophobicContact CD1-CG 3.84Å; L702-W973 HydrophobicContact CD1-CZ3 4.36Å; L702-W973 HydrophobicContact CG-CD2 4.29Å; L702-W973 HydrophobicContact CG-CE3 4.24Å
703	N	98.1	Very high	95.4	Very high	44 Å²	44	35.4 Å²	35.4	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-33.9	174	-77.5	-33.8	0	0	0	113	V665 Q669 T699 L700 F701 T705 K706 W973	V665-N703 HydrophobicContact CG1-CB 4.02Å; Q669-N703 PolarHBondContact NE2-O 3.42Å; T699-N703 VanDerWaalsContact O-CB 3.27Å; T699-N703 WeakPolarHBondContact O-CB 3.48Å; T699-N703 PolarHBondContact O-N 3.46Å; T699-N703 PolarHBondContact O-ND2 2.98Å; T699-N703 VanDerWaalsContact O-ND2 3.1Å; L700-N703 PolarHBondContact O-N 2.59Å; F701-N703 VanDerWaalsContact C-N 3.34Å; F701-N703 PolarHBondContact O-N 2.92Å; N703-T705 PolarHBondContact O-N 2.84Å; N703-K706 PolarHBondContact O-N 3.27Å; N703-K706 WeakPolarHBondContact OD1-CE 2.85Å; N703-K706 PolarHBondContact OD1-NZ 3.29Å; N703-W973 PolarHBondContact OD1-NE1 3.49Å
704	A	98.3	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.2	-22.2	174.2	0	0	0	0	0	112.9	V665 L668 L684 L687 L700 F701 L702 Y707	V665-A704 HydrophobicContact CG2-CB 3.88Å; L668-A704 HydrophobicContact CD1-CB 4.45Å; L684-A704 HydrophobicContact CD2-CB 3.89Å; L687-A704 HydrophobicContact CD1-CB 3.48Å; L687-A704 VanDerWaalsContact CD1-CB 3.48Å; L700-A704 PolarHBondContact O-N 3.17Å; F701-A704 WeakPolarHBondContact O-CA 3.41Å; F701-A704 VanDerWaalsContact O-CB 3.31Å; F701-A704 WeakPolarHBondContact O-CB 3.5Å; F701-A704 PolarHBondContact O-N 3.46Å; L702-A704 VanDerWaalsContact C-N 3.27Å; L702-A704 PolarHBondContact O-N 3.43Å; A704-Y707 WeakPolarHBondContact O-CD1 3.48Å; A704-Y707 WeakPolarHBondContact O-CE1 3.46Å
705	T	97.9	Very high	95.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-81.8	-14.9	177.8	66.1	0	0	0	0	114.2	L684 F701 L702 N703 Y707 L708 F724 Y743 L747	L684-T705 HydrophobicContact CD2-CG2 4.27Å; F701-T705 HydrophobicContact CD2-CG2 4.46Å; F701-T705 HydrophobicContact CE1-CG2 4.2Å; F701-T705 HydrophobicContact CE2-CG2 3.9Å; F701-T705 HydrophobicContact CZ-CG2 3.75Å; F701-T705 PolarHBondContact O-N 3.34Å; L702-T705 PolarHBondContact O-N 3.45Å; L702-T705 PolarHBondContact O-OG1 3.42Å; N703-T705 PolarHBondContact O-N 2.84Å; T705-Y707 PolarHBondContact O-N 3.23Å; T705-Y707 VanDerWaalsContact O-N 3.08Å; T705-L708 HydrophobicContact CG2-CD1 4.21Å; T705-L708 VanDerWaalsContact O-CB 3.29Å; T705-L708 WeakPolarHBondContact O-CB 3.5Å; T705-L708 VanDerWaalsContact O-CG 3.26Å; T705-L708 WeakPolarHBondContact O-CG 3.29Å; T705-L708 PolarHBondContact O-N 3.49Å; T705-F724 HydrophobicContact CG2-CE1 3.99Å; T705-F724 HydrophobicContact CG2-CZ 3.85Å; T705-Y743 PolarHBondContact OG1-OH 3.43Å; T705-L747 WeakPolarHBondContact O-CD2 3.49Å
706	K	96.7	Very high	95.3	Very high	65 Å²	65	27.3 Å²	27.3	28%	0.283	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26	-174.2	-77.5	176.3	161.5	162.6	0	115.3	Q669 N703 L708 W973 N977	Q669-K706 HydrophobicContact CG-CB 4.38Å; N703-K706 PolarHBondContact O-N 3.27Å; N703-K706 WeakPolarHBondContact OD1-CE 2.85Å; N703-K706 PolarHBondContact OD1-NZ 3.29Å; K706-L708 VanDerWaalsContact C-N 3.34Å; K706-W973 HydrophobicContact CD-CZ2 4.25Å; K706-W973 HydrophobicContact CG-CH2 4.28Å; K706-W973 HydrophobicContact CG-CZ2 4.17Å; K706-N977 WeakPolarHBondContact CE-OD1 3.4Å; K706-N977 PolarHBondContact NZ-OD1 3.05Å
707	Y	97.2	Very high	95.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.7	179.9	84.7	-79.5	0	0	0	113.8	L668 F672 L684 A704 T705 D709 R710 E711	L668-Y707 HydrophobicContact CB-CD1 3.7Å; L668-Y707 HydrophobicContact CB-CE1 4Å; L668-Y707 HydrophobicContact CB-CG 4.12Å; L668-Y707 HydrophobicContact CD1-CD1 4.38Å; L668-Y707 HydrophobicContact CD1-CE1 3.97Å; L668-Y707 HydrophobicContact CD2-CD1 4.28Å; L668-Y707 HydrophobicContact CD2-CE1 3.74Å; L668-Y707 HydrophobicContact CD2-CE2 4.23Å; L668-Y707 HydrophobicContact CG-CD1 4.33Å; L668-Y707 HydrophobicContact CG-CE1 4.11Å; L668-Y707 VanDerWaalsContact O-CB 3.29Å; L668-Y707 WeakPolarHBondContact O-CB 3.48Å; F672-Y707 HydrophobicContact CB-CD2 3.51Å; F672-Y707 HydrophobicContact CB-CE2 3.61Å; F672-Y707 HydrophobicContact CB-CG 4.31Å; F672-Y707 AromaticContact CD1-CD2 3.81Å; F672-Y707 HydrophobicContact CD1-CD2 3.81Å; F672-Y707 HydrophobicContact CD1-CE2 4.42Å; F672-Y707 HydrophobicContact CD2-CD2 4.08Å; F672-Y707 AromaticContact CD2-CE2 3.86Å; F672-Y707 HydrophobicContact CD2-CE2 3.86Å; F672-Y707 AromaticContact CG-CD2 3.54Å; F672-Y707 HydrophobicContact CG-CD2 3.54Å; F672-Y707 AromaticContact CG-CE2 3.73Å; F672-Y707 HydrophobicContact CG-CE2 3.73Å; L684-Y707 HydrophobicContact CD1-CE1 4.43Å; A704-Y707 WeakPolarHBondContact O-CD1 3.48Å; A704-Y707 WeakPolarHBondContact O-CE1 3.46Å; T705-Y707 PolarHBondContact O-N 3.23Å; T705-Y707 VanDerWaalsContact O-N 3.08Å; Y707-D709 VanDerWaalsContact C-OD1 3.3Å; Y707-D709 PolarHBondContact O-N 3.08Å; Y707-D709 VanDerWaalsContact O-N 3.13Å; Y707-D709 VanDerWaalsContact O-OD1 3.14Å; Y707-R710 PolarHBondContact O-N 3.17Å; Y707-E711 HydrophobicContact CD2-CB 4.33Å; Y707-E711 HydrophobicContact CE2-CB 3.9Å; Y707-E711 HydrophobicContact CE2-CG 4.27Å
708	L	96.2	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.3	-171.3	-70.8	175.9	0	0	0	112.5	L684 T705 K706 R710 E711 V716 W717 F724 L747	L684-L708 HydrophobicContact CD1-CD2 4Å; T705-L708 HydrophobicContact CG2-CD1 4.21Å; T705-L708 VanDerWaalsContact O-CB 3.29Å; T705-L708 WeakPolarHBondContact O-CB 3.5Å; T705-L708 VanDerWaalsContact O-CG 3.26Å; T705-L708 WeakPolarHBondContact O-CG 3.29Å; T705-L708 PolarHBondContact O-N 3.49Å; K706-L708 VanDerWaalsContact C-N 3.34Å; L708-R710 PolarHBondContact O-N 3.45Å; L708-R710 VanDerWaalsContact O-N 3.09Å; L708-E711 HydrophobicContact CD2-CB 3.99Å; L708-E711 HydrophobicContact CD2-CG 4.13Å; L708-E711 PolarHBondContact O-N 3Å; L708-V716 HydrophobicContact CD2-CG1 3.79Å; L708-W717 HydrophobicContact CB-CH2 4.04Å; L708-W717 HydrophobicContact CB-CZ2 4Å; L708-W717 WeakPolarHBondContact O-CZ2 3.29Å; L708-F724 HydrophobicContact CD1-CE2 3.85Å; L708-F724 HydrophobicContact CD1-CZ 3.76Å; L708-L747 HydrophobicContact CB-CD2 4.4Å; L708-L747 HydrophobicContact CD1-CD1 4.48Å
709	D	93.5	Very high	94.8	Very high	47 Å²	47	25.1 Å²	25.1	25%	0.251	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-55.7	-24.2	171.6	75.5	-41.8	0	0	0	113.5	Y707 N750	Y707-D709 VanDerWaalsContact C-OD1 3.3Å; Y707-D709 PolarHBondContact O-N 3.08Å; Y707-D709 VanDerWaalsContact O-N 3.13Å; Y707-D709 VanDerWaalsContact O-OD1 3.14Å; D709-N750 VanDerWaalsContact O-CB 3.31Å; D709-N750 WeakPolarHBondContact O-CB 3.16Å; D709-N750 PolarHBondContact O-ND2 3.37Å
710	R	94.9	Very high	94.7	Very high	110 Å²	110	23.1 Å²	23.1	42%	0.415	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-105.6	-6	176.4	-65.4	172.2	-65.9	161.9	5.6	113.8	Q669 F672 Y707 L708	Q669-R710 PolarHBondContact O-NH1 3.21Å; Q669-R710 VanDerWaalsContact O-NH1 3.12Å; Q669-R710 PolarHBondContact O-NH2 3.44Å; F672-R710 HydrophobicContact CE1-CB 3.78Å; F672-R710 HydrophobicContact CZ-CB 4.27Å; F672-R710 WeakPolarHBondContact CZ-O 3.43Å; Y707-R710 PolarHBondContact O-N 3.17Å; L708-R710 PolarHBondContact O-N 3.45Å; L708-R710 VanDerWaalsContact O-N 3.09Å
711	E	94.1	Very high	94.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.			trans	-82	134.3	179.9	178.5	58	-88.3	0	0	110.9	R680 Y707 L708 Q713 V716 W717 Q751	R680-E711 IonicContact CZ-OE2 3.29Å; R680-E711 IonicContact NE-OE2 2.92Å; R680-E711 PolarHBondContact NE-OE2 3.2Å; R680-E711 IonicContact NH2-OE1 3.86Å; R680-E711 PolarHBondContact NH2-OE1 3.16Å; R680-E711 IonicContact NH2-OE2 3.71Å; R680-E711 PolarHBondContact NH2-OE2 3.49Å; Y707-E711 HydrophobicContact CD2-CB 4.33Å; Y707-E711 HydrophobicContact CE2-CB 3.9Å; Y707-E711 HydrophobicContact CE2-CG 4.27Å; L708-E711 HydrophobicContact CD2-CB 3.99Å; L708-E711 HydrophobicContact CD2-CG 4.13Å; L708-E711 PolarHBondContact O-N 3Å; E711-Q713 VanDerWaalsContact OE1-CB 3.29Å; E711-Q713 WeakPolarHBondContact OE1-CB 3.29Å; E711-Q713 VanDerWaalsContact OE1-CG 3.24Å; E711-Q713 WeakPolarHBondContact OE1-CG 2.99Å; E711-Q713 PolarHBondContact OE1-N 3.23Å; E711-V716 HydrophobicContact CG-CB 3.87Å; E711-V716 HydrophobicContact CG-CG1 3.78Å; E711-V716 HydrophobicContact CG-CG2 4.37Å; E711-W717 PolarHBondContact O-NE1 3.31Å; E711-Q751 PolarHBondContact O-NE2 3.23Å; E711-Q751 PolarHBondContact O-OE1 2.86Å
712	N	89.4	Confident	94.2	Very high	94 Å²	94	24.9 Å²	24.9	50%	0.503	12%	0.117	S	C	.	.			trans	-124.5	0.7	179.1	69.7	-0.4	0	0	0	113.7
713	Q	90.9	Very high	94	Very high	41 Å²	41	24.9 Å²	24.9	19%	0.192	12%	0.118	C	C	.	.			trans	-77.3	129.8	179.3	-63.4	-56.7	-60.2	0	0	111.6	V677 E711 V716 W717	V677-Q713 HydrophobicContact CG1-CB 3.77Å; V677-Q713 HydrophobicContact CG1-CG 3.79Å; V677-Q713 HydrophobicContact CG2-CG 3.92Å; E711-Q713 VanDerWaalsContact OE1-CB 3.29Å; E711-Q713 WeakPolarHBondContact OE1-CB 3.29Å; E711-Q713 VanDerWaalsContact OE1-CG 3.24Å; E711-Q713 WeakPolarHBondContact OE1-CG 2.99Å; E711-Q713 PolarHBondContact OE1-N 3.23Å; Q713-V716 HydrophobicContact CB-CB 4.49Å; Q713-V716 HydrophobicContact CB-CG2 3.96Å; Q713-V716 PolarHBondContact O-N 2.98Å; Q713-W717 PolarHBondContact O-N 2.86Å
714	F	87	Confident	93.9	Very high	19 Å²	19	22.9 Å²	22.9	8%	0.083	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-56.3	-178.1	164.5	-114	0	0	0	112.8	E455 L456 L459 V716 W717 I718 L767 R770 S771	E455-F714 WeakPolarHBondContact OE2-CD1 3.49Å; L456-F714 HydrophobicContact CD2-CE1 4.45Å; L459-F714 HydrophobicContact CD1-CD1 4.36Å; L459-F714 HydrophobicContact CD1-CE1 3.65Å; L459-F714 HydrophobicContact CD1-CZ 4.14Å; F714-V716 PolarHBondContact O-N 2.69Å; F714-W717 PolarHBondContact O-N 3.22Å; F714-W717 VanDerWaalsContact O-N 3.13Å; F714-I718 HydrophobicContact CD2-CD1 4.13Å; F714-I718 HydrophobicContact CD2-CG1 3.6Å; F714-I718 HydrophobicContact CE1-CG1 4.29Å; F714-I718 HydrophobicContact CE2-CD1 3.44Å; F714-I718 VanDerWaalsContact CE2-CD1 3.44Å; F714-I718 HydrophobicContact CE2-CG1 3.22Å; F714-I718 HydrophobicContact CG-CG1 4.34Å; F714-I718 HydrophobicContact CZ-CD1 4.01Å; F714-I718 HydrophobicContact CZ-CG1 3.6Å; F714-I718 WeakPolarHBondContact O-CG1 3.46Å; F714-I718 PolarHBondContact O-N 3.42Å; F714-L767 HydrophobicContact CE1-CD2 4.1Å; F714-R770 HydrophobicContact CE2-CB 3.6Å; F714-R770 HydrophobicContact CZ-CB 3.78Å; F714-S771 VanDerWaalsContact CD2-CA 3.44Å; F714-S771 VanDerWaalsContact CD2-CB 3.48Å
715	I	92.6	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.4	-36.1	-176	-172.7	177.6	0	0	0	113.3	E455 I458 L459 V677 Y678 T681 T719	E455-I715 HydrophobicContact CB-CB 4.26Å; E455-I715 HydrophobicContact CB-CD1 4.12Å; E455-I715 HydrophobicContact CG-CB 4.16Å; E455-I715 HydrophobicContact CG-CD1 4.15Å; E455-I715 HydrophobicContact CG-CG2 4.24Å; I458-I715 HydrophobicContact CB-CD1 4.05Å; I458-I715 HydrophobicContact CD1-CD1 4.27Å; I458-I715 HydrophobicContact CG2-CD1 3.82Å; L459-I715 HydrophobicContact CD1-CB 4.41Å; L459-I715 HydrophobicContact CD1-CG1 4.05Å; L459-I715 HydrophobicContact CD2-CG1 3.77Å; L459-I715 HydrophobicContact CG-CD1 4.39Å; L459-I715 HydrophobicContact CG-CG1 3.79Å; V677-I715 HydrophobicContact CG1-CG2 3.47Å; V677-I715 VanDerWaalsContact CG1-CG2 3.47Å; Y678-I715 HydrophobicContact CD1-CD1 4.02Å; Y678-I715 HydrophobicContact CD1-CG2 4.49Å; Y678-I715 HydrophobicContact CE1-CD1 4.38Å; T681-I715 HydrophobicContact CG2-CD1 4.21Å; T681-I715 HydrophobicContact CG2-CG1 3.94Å; I715-T719 WeakPolarHBondContact O-CB 3.47Å; I715-T719 PolarHBondContact O-N 3.37Å; I715-T719 VanDerWaalsContact O-N 3.11Å; I715-T719 PolarHBondContact O-OG1 2.92Å
716	V	95	Very high	93.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-49.6	178.2	-173.8	0	0	0	0	109.6	V677 R680 L684 L708 E711 Q713 F714 I718 T719 S720	V677-V716 HydrophobicContact CG1-CG2 4.13Å; R680-V716 HydrophobicContact CB-CG2 4.25Å; L684-V716 HydrophobicContact CD1-CG1 3.64Å; L708-V716 HydrophobicContact CD2-CG1 3.79Å; E711-V716 HydrophobicContact CG-CB 3.87Å; E711-V716 HydrophobicContact CG-CG1 3.78Å; E711-V716 HydrophobicContact CG-CG2 4.37Å; Q713-V716 HydrophobicContact CB-CB 4.49Å; Q713-V716 HydrophobicContact CB-CG2 3.96Å; Q713-V716 PolarHBondContact O-N 2.98Å; F714-V716 PolarHBondContact O-N 2.69Å; V716-I718 PolarHBondContact O-N 2.76Å; V716-T719 PolarHBondContact O-N 3.49Å; V716-S720 PolarHBondContact O-N 3.15Å; V716-S720 PolarHBondContact O-OG 2.96Å
717	W	92.4	Very high	93.3	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-38.3	178.7	-87.7	109	0	0	0	114.1	L708 E711 Q713 F714 T719 S721 F724 L747 L748 Q751 L778	L708-W717 HydrophobicContact CB-CH2 4.04Å; L708-W717 HydrophobicContact CB-CZ2 4Å; L708-W717 WeakPolarHBondContact O-CZ2 3.29Å; E711-W717 PolarHBondContact O-NE1 3.31Å; Q713-W717 PolarHBondContact O-N 2.86Å; F714-W717 PolarHBondContact O-N 3.22Å; F714-W717 VanDerWaalsContact O-N 3.13Å; W717-T719 VanDerWaalsContact C-N 3.33Å; W717-S721 WeakPolarHBondContact O-CA 3.38Å; W717-S721 WeakPolarHBondContact O-CB 3.23Å; W717-S721 PolarHBondContact O-N 2.96Å; W717-F724 HydrophobicContact CZ3-CE2 4.37Å; W717-L747 HydrophobicContact CH2-CB 4.12Å; W717-L747 WeakPolarHBondContact CH2-O 3.39Å; W717-L748 HydrophobicContact CE3-CD2 4.4Å; W717-L748 HydrophobicContact CH2-CD2 3.89Å; W717-L748 HydrophobicContact CH2-CG 4.41Å; W717-L748 HydrophobicContact CZ3-CD2 3.68Å; W717-L748 HydrophobicContact CZ3-CG 4.4Å; W717-Q751 HydrophobicContact CH2-CG 4.39Å; W717-Q751 HydrophobicContact CZ2-CB 4.43Å; W717-Q751 HydrophobicContact CZ2-CG 3.43Å; W717-Q751 VanDerWaalsContact CZ2-CG 3.43Å; W717-L778 HydrophobicContact CZ3-CD2 4.47Å
718	I	91.2	Very high	93	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.138	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-44.8	175.2	-64.7	-72	0	0	0	110.5	L459 F714 V716 S721 R722 A774	L459-I718 HydrophobicContact CD1-CB 4.23Å; L459-I718 HydrophobicContact CD1-CG1 4.42Å; L459-I718 HydrophobicContact CD1-CG2 4.13Å; L459-I718 HydrophobicContact CD2-CB 4Å; L459-I718 HydrophobicContact CD2-CG2 3.72Å; L459-I718 HydrophobicContact CG-CG2 4.5Å; F714-I718 HydrophobicContact CD2-CD1 4.13Å; F714-I718 HydrophobicContact CD2-CG1 3.6Å; F714-I718 HydrophobicContact CE1-CG1 4.29Å; F714-I718 HydrophobicContact CE2-CD1 3.44Å; F714-I718 VanDerWaalsContact CE2-CD1 3.44Å; F714-I718 HydrophobicContact CE2-CG1 3.22Å; F714-I718 HydrophobicContact CG-CG1 4.34Å; F714-I718 HydrophobicContact CZ-CD1 4.01Å; F714-I718 HydrophobicContact CZ-CG1 3.6Å; F714-I718 WeakPolarHBondContact O-CG1 3.46Å; F714-I718 PolarHBondContact O-N 3.42Å; V716-I718 PolarHBondContact O-N 2.76Å; I718-S721 PolarHBondContact O-N 2.68Å; I718-R722 WeakPolarHBondContact O-CG 3.3Å; I718-R722 PolarHBondContact O-N 2.88Å; I718-R722 VanDerWaalsContact O-N 3.1Å; I718-A774 HydrophobicContact CD1-CB 3.23Å; I718-A774 HydrophobicContact CG1-CB 4.42Å
719	T	94.4	Very high	92.8	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-64.5	-46.9	-180	-63	0	0	0	0	111.3	L459 I463 T681 N685 I715 V716 W717 R722 A723	L459-T719 WeakPolarHBondContact CD2-OG1 3.22Å; I463-T719 HydrophobicContact CD1-CG2 4.3Å; T681-T719 HydrophobicContact CG2-CG2 3.81Å; T681-T719 WeakPolarHBondContact CG2-OG1 2.91Å; N685-T719 HydrophobicContact CB-CG2 3.83Å; I715-T719 WeakPolarHBondContact O-CB 3.47Å; I715-T719 PolarHBondContact O-N 3.37Å; I715-T719 VanDerWaalsContact O-N 3.11Å; I715-T719 PolarHBondContact O-OG1 2.92Å; V716-T719 PolarHBondContact O-N 3.49Å; W717-T719 VanDerWaalsContact C-N 3.33Å; T719-R722 WeakPolarHBondContact O-CB 3.46Å; T719-R722 PolarHBondContact O-N 3.07Å; T719-A723 PolarHBondContact O-N 3.18Å
720	S	95.2	Very high	92.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-40.9	174.7	-55	0	0	0	0	112.4	L684 V716 R722 A723 F724	L684-S720 VanDerWaalsContact CD1-OG 3.3Å; L684-S720 WeakPolarHBondContact CD1-OG 3.49Å; V716-S720 PolarHBondContact O-N 3.15Å; V716-S720 PolarHBondContact O-OG 2.96Å; S720-R722 PolarHBondContact O-N 3.3Å; S720-A723 WeakPolarHBondContact O-CA 3.37Å; S720-A723 WeakPolarHBondContact O-CB 3.37Å; S720-A723 PolarHBondContact O-N 2.53Å; S720-F724 WeakPolarHBondContact O-CD2 3.45Å; S720-F724 WeakPolarHBondContact O-CG 3.1Å; S720-F724 PolarHBondContact O-N 3.46Å
721	S	93.1	Very high	92.3	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.084	9%	0.087	C	C	.	.	H	α-helix	trans	-59.2	-35.3	177.6	-179	0	0	0	0	111.9	W717 I718 A723 F724 R725	W717-S721 WeakPolarHBondContact O-CA 3.38Å; W717-S721 WeakPolarHBondContact O-CB 3.23Å; W717-S721 PolarHBondContact O-N 2.96Å; I718-S721 PolarHBondContact O-N 2.68Å; S721-A723 PolarHBondContact O-N 3.04Å; S721-F724 PolarHBondContact O-N 3.08Å; S721-R725 WeakPolarHBondContact O-CB 3.23Å; S721-R725 VanDerWaalsContact O-CG 3.24Å; S721-R725 WeakPolarHBondContact O-CG 3.36Å; S721-R725 PolarHBondContact O-N 3.29Å
722	R	91.6	Very high	92	Very high	46 Å²	46	19.4 Å²	19.4	17%	0.174	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-41.3	173.9	-71.1	168	177.6	151.5	-5.7	112	L459 D460 I718 T719 S720 Y726 Y921	L459-R722 PolarHBondContact O-NH1 3.3Å; L459-R722 PolarHBondContact O-NH2 3.29Å; D460-R722 IonicContact OD1-NH2 2.89Å; D460-R722 PolarHBondContact OD1-NH2 3.47Å; I718-R722 WeakPolarHBondContact O-CG 3.3Å; I718-R722 PolarHBondContact O-N 2.88Å; I718-R722 VanDerWaalsContact O-N 3.1Å; T719-R722 WeakPolarHBondContact O-CB 3.46Å; T719-R722 PolarHBondContact O-N 3.07Å; S720-R722 PolarHBondContact O-N 3.3Å; R722-Y726 PolarHBondContact O-N 2.9Å; R722-Y921 PolarHBondContact O-OH 3.01Å
723	A	95	Very high	91.9	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-68	-47.3	175.5	0	0	0	0	0	111.6	F688 F701 T719 S720 S721 R725 Y726 I727	F688-A723 HydrophobicContact CB-CB 4.29Å; F688-A723 HydrophobicContact CD1-CB 3.88Å; F688-A723 HydrophobicContact CD2-CB 3.56Å; F688-A723 HydrophobicContact CE1-CB 4.05Å; F688-A723 HydrophobicContact CE2-CB 3.71Å; F688-A723 HydrophobicContact CG-CB 3.63Å; F688-A723 HydrophobicContact CZ-CB 3.97Å; F701-A723 HydrophobicContact CE1-CB 4.45Å; F701-A723 HydrophobicContact CE2-CB 4.31Å; F701-A723 HydrophobicContact CZ-CB 3.66Å; T719-A723 PolarHBondContact O-N 3.18Å; S720-A723 WeakPolarHBondContact O-CA 3.37Å; S720-A723 WeakPolarHBondContact O-CB 3.37Å; S720-A723 PolarHBondContact O-N 2.53Å; S721-A723 PolarHBondContact O-N 3.04Å; A723-R725 PolarHBondContact O-N 3.41Å; A723-Y726 WeakPolarHBondContact O-CB 3.43Å; A723-Y726 PolarHBondContact O-N 3.47Å; A723-Y726 VanDerWaalsContact O-N 3.13Å; A723-I727 WeakPolarHBondContact O-CG1 3.46Å; A723-I727 PolarHBondContact O-N 3Å
724	F	95.5	Very high	91.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-61.1	-45.5	177.7	-63.6	-43.6	0	0	0	112.2	T705 L708 W717 S720 S721 Y726 I727 N728 Y740 L744 L747 L778	T705-F724 HydrophobicContact CG2-CE1 3.99Å; T705-F724 HydrophobicContact CG2-CZ 3.85Å; L708-F724 HydrophobicContact CD1-CE2 3.85Å; L708-F724 HydrophobicContact CD1-CZ 3.76Å; W717-F724 HydrophobicContact CZ3-CE2 4.37Å; S720-F724 WeakPolarHBondContact O-CD2 3.45Å; S720-F724 WeakPolarHBondContact O-CG 3.1Å; S720-F724 PolarHBondContact O-N 3.46Å; S721-F724 PolarHBondContact O-N 3.08Å; F724-Y726 PolarHBondContact O-N 3.19Å; F724-I727 PolarHBondContact O-N 3.43Å; F724-N728 WeakPolarHBondContact O-CB 3.4Å; F724-N728 PolarHBondContact O-N 2.92Å; F724-Y740 WeakPolarHBondContact CA-OH 3.46Å; F724-Y740 PolarHBondContact O-OH 3.3Å; F724-L744 HydrophobicContact CB-CD2 3.84Å; F724-L744 HydrophobicContact CD1-CD2 3.65Å; F724-L744 HydrophobicContact CD2-CD2 4.11Å; F724-L744 HydrophobicContact CE1-CD2 4.21Å; F724-L744 HydrophobicContact CG-CD2 3.61Å; F724-L747 HydrophobicContact CE1-CD1 4.12Å; F724-L747 HydrophobicContact CE2-CD1 4.13Å; F724-L747 HydrophobicContact CZ-CD1 3.5Å; F724-L778 HydrophobicContact CB-CD1 4.1Å; F724-L778 HydrophobicContact CB-CD2 4.27Å; F724-L778 HydrophobicContact CD2-CD2 3.74Å; F724-L778 HydrophobicContact CG-CD2 4.43Å
725	R	92.8	Very high	91.8	Very high	45 Å²	45	26.2 Å²	26.2	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-32.2	176.3	-73	179.3	64.9	-169.1	-2.7	113	S721 A723 S729 L778 I781 Y919 Y921	S721-R725 WeakPolarHBondContact O-CB 3.23Å; S721-R725 VanDerWaalsContact O-CG 3.24Å; S721-R725 WeakPolarHBondContact O-CG 3.36Å; S721-R725 PolarHBondContact O-N 3.29Å; A723-R725 PolarHBondContact O-N 3.41Å; R725-S729 PolarHBondContact O-N 3.17Å; R725-L778 HydrophobicContact CG-CD1 4.19Å; R725-I781 HydrophobicContact CG-CD1 4.26Å; R725-Y919 PolarHBondContact NH2-OH 3.45Å; R725-Y921 VanDerWaalsContact C-CD1 3.45Å; R725-Y921 HydrophobicContact CB-CD1 3.71Å; R725-Y921 HydrophobicContact CB-CE1 3.43Å; R725-Y921 VanDerWaalsContact CB-CE1 3.43Å; R725-Y921 HydrophobicContact CB-CG 4.4Å; R725-Y921 WeakPolarHBondContact O-CD1 3.09Å
726	Y	92.5	Very high	91.6	Very high	45 Å²	45	28.2 Å²	28.2	18%	0.176	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-52	175	-179.2	-91.4	0	0	0	110.3	F688 R722 A723 F724 N728 S729 M730 R920 W962	F688-Y726 HydrophobicContact CE2-CD1 4.28Å; F688-Y726 AromaticContact CZ-CD1 3.63Å; F688-Y726 HydrophobicContact CZ-CD1 3.63Å; F688-Y726 HydrophobicContact CZ-CE1 4.43Å; F688-Y726 AromaticContact CZ-CG 3.91Å; F688-Y726 HydrophobicContact CZ-CG 3.91Å; R722-Y726 PolarHBondContact O-N 2.9Å; A723-Y726 WeakPolarHBondContact O-CB 3.43Å; A723-Y726 PolarHBondContact O-N 3.47Å; A723-Y726 VanDerWaalsContact O-N 3.13Å; F724-Y726 PolarHBondContact O-N 3.19Å; Y726-N728 VanDerWaalsContact C-N 3.33Å; Y726-N728 PolarHBondContact O-N 2.69Å; Y726-S729 PolarHBondContact O-N 2.83Å; Y726-S729 PolarHBondContact O-OG 3.15Å; Y726-M730 HydrophobicContact CE1-CG 4.25Å; Y726-M730 WeakPolarHBondContact O-CG 3.43Å; Y726-M730 PolarHBondContact O-N 3.33Å; Y726-R920 HydrophobicContact CD2-CG 4.35Å; Y726-W962 HydrophobicContact CD1-CZ2 4.5Å; Y726-W962 HydrophobicContact CE1-CD2 4.35Å; Y726-W962 AromaticContact CE1-CE2 3.78Å; Y726-W962 HydrophobicContact CE1-CZ2 4.1Å; Y726-W962 AromaticContact CE1-NE1 3.66Å
727	I	93.7	Very high	91.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-45.5	176.7	-60.9	167.5	0	0	0	110.4	F688 Y698 F701 A723 F724 S729 M730 F731 Y740 W962	F688-I727 HydrophobicContact CE2-CD1 4.31Å; F688-I727 HydrophobicContact CE2-CG1 4.24Å; Y698-I727 HydrophobicContact CE1-CD1 3.97Å; Y698-I727 HydrophobicContact CE1-CG1 4.46Å; F701-I727 HydrophobicContact CE1-CD1 3.97Å; A723-I727 WeakPolarHBondContact O-CG1 3.46Å; A723-I727 PolarHBondContact O-N 3Å; F724-I727 PolarHBondContact O-N 3.43Å; I727-S729 VanDerWaalsContact C-N 3.27Å; I727-S729 PolarHBondContact O-N 3.07Å; I727-M730 WeakPolarHBondContact O-CA 3.37Å; I727-M730 WeakPolarHBondContact O-CB 3.14Å; I727-M730 PolarHBondContact O-N 2.96Å; I727-F731 HydrophobicContact CG2-CD2 3.58Å; I727-F731 HydrophobicContact CG2-CE2 3.88Å; I727-F731 HydrophobicContact CG2-CG 4.47Å; I727-F731 WeakPolarHBondContact O-CD2 3.45Å; I727-F731 PolarHBondContact O-N 3.14Å; I727-Y740 HydrophobicContact CB-CE2 4.06Å; I727-Y740 HydrophobicContact CG2-CD2 3.95Å; I727-Y740 HydrophobicContact CG2-CE2 3.4Å; I727-W962 HydrophobicContact CG1-CZ2 4.49Å
728	N	92.7	Very high	91.4	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-54.1	-42.4	175.1	-172.6	90.6	0	0	0	112.3	F724 Y726 M730 F731 V732 Y737 Y740	F724-N728 WeakPolarHBondContact O-CB 3.4Å; F724-N728 PolarHBondContact O-N 2.92Å; Y726-N728 VanDerWaalsContact C-N 3.33Å; Y726-N728 PolarHBondContact O-N 2.69Å; N728-M730 PolarHBondContact O-N 2.96Å; N728-F731 PolarHBondContact O-N 3.31Å; N728-V732 WeakPolarHBondContact O-CB 3.24Å; N728-V732 PolarHBondContact O-N 3.44Å; N728-Y737 VanDerWaalsContact OD1-CE2 3.31Å; N728-Y737 WeakPolarHBondContact OD1-CE2 3.3Å; N728-Y737 PolarHBondContact OD1-OH 3.18Å; N728-Y740 HydrophobicContact CB-CE1 3.76Å
729	S	90.6	Very high	91.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-21.3	178.9	73.6	0	0	0	0	114	R725 Y726 I727 Y921 Y924	R725-S729 PolarHBondContact O-N 3.17Å; Y726-S729 PolarHBondContact O-N 2.83Å; Y726-S729 PolarHBondContact O-OG 3.15Å; I727-S729 VanDerWaalsContact C-N 3.27Å; I727-S729 PolarHBondContact O-N 3.07Å; S729-Y921 WeakPolarHBondContact CB-O 3.21Å; S729-Y924 PolarHBondContact O-N 3.3Å
730	M	89.2	Confident	91.4	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-88.6	-29.5	175	-55.6	-57.3	-70.6	0	0	112.1	Y726 I727 N728 K959 W962 T963	Y726-M730 HydrophobicContact CE1-CG 4.25Å; Y726-M730 WeakPolarHBondContact O-CG 3.43Å; Y726-M730 PolarHBondContact O-N 3.33Å; I727-M730 WeakPolarHBondContact O-CA 3.37Å; I727-M730 WeakPolarHBondContact O-CB 3.14Å; I727-M730 PolarHBondContact O-N 2.96Å; N728-M730 PolarHBondContact O-N 2.96Å; M730-K959 HydrophobicContact CE-CB 3.77Å; M730-K959 HydrophobicContact CE-CD 4.37Å; M730-K959 HydrophobicContact CE-CG 4.02Å; M730-K959 WeakPolarHBondContact CE-O 3.29Å; M730-K959 HydrophobicContact SD-CB 4.34Å; M730-K959 HydrophobicContact SD-CD 3.83Å; M730-K959 HydrophobicContact SD-CG 4.02Å; M730-W962 HydrophobicContact CB-CE3 3.77Å; M730-W962 HydrophobicContact CB-CH2 3.92Å; M730-W962 HydrophobicContact CB-CZ3 3.29Å; M730-W962 HydrophobicContact CE-CB 4.04Å; M730-W962 HydrophobicContact CE-CD2 3.83Å; M730-W962 HydrophobicContact CE-CE3 3.32Å; M730-W962 HydrophobicContact CE-CG 4.14Å; M730-W962 HydrophobicContact CE-CZ3 4.11Å; M730-W962 HydrophobicContact CG-CD2 4.18Å; M730-W962 HydrophobicContact CG-CE3 3.62Å; M730-W962 HydrophobicContact CG-CH2 3.99Å; M730-W962 HydrophobicContact CG-CZ2 4.48Å; M730-W962 HydrophobicContact CG-CZ3 3.54Å; M730-W962 HydrophobicContact SD-CE3 4.33Å; M730-T963 WeakPolarHBondContact CE-OG1 3.41Å
731	F	89.5	Confident	91.4	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-98.7	-15.8	-173.5	-88.4	-95.7	0	0	0	115.2	I727 N728 L733 N734 Y737 Y740 W962 I970 I971	I727-F731 HydrophobicContact CG2-CD2 3.58Å; I727-F731 HydrophobicContact CG2-CE2 3.88Å; I727-F731 HydrophobicContact CG2-CG 4.47Å; I727-F731 WeakPolarHBondContact O-CD2 3.45Å; I727-F731 PolarHBondContact O-N 3.14Å; N728-F731 PolarHBondContact O-N 3.31Å; F731-L733 PolarHBondContact O-N 3.18Å; F731-N734 HydrophobicContact CD1-CB 4.07Å; F731-N734 WeakPolarHBondContact O-CB 3.33Å; F731-N734 PolarHBondContact O-N 3.23Å; F731-Y737 HydrophobicContact CB-CD2 4.06Å; F731-Y737 WeakPolarHBondContact O-CB 3.39Å; F731-Y737 WeakPolarHBondContact O-CD2 3.3Å; F731-Y740 HydrophobicContact CB-CD1 4.4Å; F731-W962 HydrophobicContact CD2-CH2 4.35Å; F731-W962 HydrophobicContact CD2-CZ3 4.39Å; F731-W962 AromaticContact CE2-CH2 3.9Å; F731-W962 HydrophobicContact CE2-CH2 3.9Å; F731-W962 HydrophobicContact CE2-CZ3 4.02Å; F731-I970 HydrophobicContact CE1-CG2 4.49Å; F731-I970 HydrophobicContact CE2-CB 4.45Å; F731-I970 HydrophobicContact CE2-CD1 4.06Å; F731-I970 HydrophobicContact CE2-CG2 4.1Å; F731-I970 HydrophobicContact CZ-CB 3.96Å; F731-I970 HydrophobicContact CZ-CD1 4.37Å; F731-I970 HydrophobicContact CZ-CG2 3.7Å; F731-I971 HydrophobicContact CE1-CD1 4.09Å; F731-I971 HydrophobicContact CE1-CG1 3.72Å; F731-I971 HydrophobicContact CZ-CG1 4.26Å
732	V	88.2	Confident	91.5	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.152	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.7	-171.4	70.5	0	0	0	0	114.9	N728 Y737 P886 V923	N728-V732 WeakPolarHBondContact O-CB 3.24Å; N728-V732 PolarHBondContact O-N 3.44Å; V732-Y737 HydrophobicContact CB-CE1 4.49Å; V732-Y737 HydrophobicContact CB-CE2 4.2Å; V732-Y737 HydrophobicContact CG2-CE1 3.91Å; V732-Y737 HydrophobicContact CG2-CE2 4.41Å; V732-P886 HydrophobicContact CG1-CG 4.37Å; V732-P886 HydrophobicContact CG2-CG 3.66Å; V732-V923 HydrophobicContact CG1-CB 4.08Å; V732-V923 HydrophobicContact CG1-CG1 3.38Å; V732-V923 HydrophobicContact CG1-CG2 3.74Å
733	L	86.9	Confident	91.6	Very high	78 Å²	78	33.5 Å²	33.5	41%	0.408	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.9	173.8	-66.5	-177.5	0	0	0	113.1	F731 P886 V923 Y924 D925	F731-L733 PolarHBondContact O-N 3.18Å; L733-P886 HydrophobicContact CD2-CB 3.9Å; L733-V923 HydrophobicContact CD1-CG1 3.73Å; L733-V923 HydrophobicContact CG-CG1 3.83Å; L733-Y924 WeakPolarHBondContact CD1-O 3.39Å; L733-D925 HydrophobicContact CD1-CB 3.42Å; L733-D925 VanDerWaalsContact CD1-CB 3.42Å
734	N	88	Confident	91.6	Very high	39 Å²	39	33.3 Å²	33.3	21%	0.209	17%	0.167	C	C	.	.	S	Bend	trans	-80.8	142.9	177.2	-170.5	-73	0	0	0	110.1	F731 N736 Y737 S967	F731-N734 HydrophobicContact CD1-CB 4.07Å; F731-N734 WeakPolarHBondContact O-CB 3.33Å; F731-N734 PolarHBondContact O-N 3.23Å; N734-N736 PolarHBondContact O-N 3.34Å; N734-N736 WeakPolarHBondContact OD1-CB 3.28Å; N734-N736 PolarHBondContact OD1-N 3.29Å; N734-N736 PolarHBondContact OD1-ND2 2.92Å; N734-Y737 VanDerWaalsContact O-CB 3.22Å; N734-Y737 WeakPolarHBondContact O-CB 3.45Å; N734-Y737 PolarHBondContact O-N 2.88Å; N734-Y737 VanDerWaalsContact O-N 3.07Å; N734-S967 PolarHBondContact ND2-OG 2.98Å
735	E	88.2	Confident	91.7	Very high	179 Å²	179	35.4 Å²	35.4	84%	0.836	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	178.7	66.3	-174	178.2	0	0	113.7	Y737	E735-Y737 VanDerWaalsContact C-N 3.31Å
736	N	88.3	Confident	91.7	Very high	42 Å²	42	36.2 Å²	36.2	23%	0.225	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	14.1	177.9	-62.3	-78.7	0	0	0	113	N734 D738 V739 Y740 I971	N734-N736 PolarHBondContact O-N 3.34Å; N734-N736 WeakPolarHBondContact OD1-CB 3.28Å; N734-N736 PolarHBondContact OD1-N 3.29Å; N734-N736 PolarHBondContact OD1-ND2 2.92Å; N736-D738 PolarHBondContact O-N 2.85Å; N736-V739 PolarHBondContact O-N 3.03Å; N736-V739 VanDerWaalsContact O-N 3.14Å; N736-Y740 PolarHBondContact O-N 3.45Å; N736-I971 HydrophobicContact CB-CD1 4.05Å; N736-I971 HydrophobicContact CB-CG1 4Å; N736-I971 HydrophobicContact CB-CG2 4.25Å
737	Y	90.9	Very high	91.8	Very high	27 Å²	27	34.2 Å²	34.2	11%	0.106	18%	0.178	C	C	.	.	H	α-helix	trans	-55.4	-35.2	-178.4	-176.7	-131.4	0	0	0	112.9	N728 F731 V732 N734 E735 V739 Y740 Q741	N728-Y737 VanDerWaalsContact OD1-CE2 3.31Å; N728-Y737 WeakPolarHBondContact OD1-CE2 3.3Å; N728-Y737 PolarHBondContact OD1-OH 3.18Å; F731-Y737 HydrophobicContact CB-CD2 4.06Å; F731-Y737 WeakPolarHBondContact O-CB 3.39Å; F731-Y737 WeakPolarHBondContact O-CD2 3.3Å; V732-Y737 HydrophobicContact CB-CE1 4.49Å; V732-Y737 HydrophobicContact CB-CE2 4.2Å; V732-Y737 HydrophobicContact CG2-CE1 3.91Å; V732-Y737 HydrophobicContact CG2-CE2 4.41Å; N734-Y737 VanDerWaalsContact O-CB 3.22Å; N734-Y737 WeakPolarHBondContact O-CB 3.45Å; N734-Y737 PolarHBondContact O-N 2.88Å; N734-Y737 VanDerWaalsContact O-N 3.07Å; E735-Y737 VanDerWaalsContact C-N 3.31Å; Y737-V739 VanDerWaalsContact C-N 3.32Å; Y737-V739 PolarHBondContact O-N 2.96Å; Y737-Y740 HydrophobicContact CD2-CD1 4.07Å; Y737-Y740 AromaticContact CE2-CD1 3.88Å; Y737-Y740 HydrophobicContact CE2-CD1 3.88Å; Y737-Y740 HydrophobicContact CE2-CE1 4.42Å; Y737-Y740 WeakPolarHBondContact O-CB 3.41Å; Y737-Y740 PolarHBondContact O-N 3.45Å; Y737-Q741 HydrophobicContact CD1-CG 4.12Å; Y737-Q741 HydrophobicContact CD2-CG 4.18Å; Y737-Q741 HydrophobicContact CE1-CG 3.74Å; Y737-Q741 HydrophobicContact CE2-CG 3.8Å; Y737-Q741 HydrophobicContact CG-CG 4.33Å; Y737-Q741 WeakPolarHBondContact O-CG 3.29Å; Y737-Q741 PolarHBondContact O-N 3.4Å; Y737-Q741 PolarHBondContact OH-NE2 3.3Å; Y737-Q741 VanDerWaalsContact OH-NE2 3.08Å
738	D	92.1	Very high	91.8	Very high	110 Å²	110	34.2 Å²	34.2	59%	0.588	18%	0.178	S	C	*	.	H	α-helix	trans	-62	-36.9	-179.6	-71.3	-22.4	0	0	0	112.9	N736 Q741 A742	N736-D738 PolarHBondContact O-N 2.85Å; D738-Q741 PolarHBondContact O-N 2.9Å; D738-A742 WeakPolarHBondContact O-CB 3.46Å; D738-A742 PolarHBondContact O-N 2.9Å
739	V	92.6	Very high	91.9	Very high	35 Å²	35	35.3 Å²	35.3	21%	0.212	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-40.7	177.5	-168.9	0	0	0	0	110.2	N736 Y737 A742 Y743 L974 V978	N736-V739 PolarHBondContact O-N 3.03Å; N736-V739 VanDerWaalsContact O-N 3.14Å; Y737-V739 VanDerWaalsContact C-N 3.32Å; Y737-V739 PolarHBondContact O-N 2.96Å; V739-A742 WeakPolarHBondContact O-CB 3.29Å; V739-A742 PolarHBondContact O-N 3.23Å; V739-Y743 PolarHBondContact O-N 2.84Å; V739-L974 HydrophobicContact CG1-CB 3.79Å; V739-V978 HydrophobicContact CG1-CB 4.29Å; V739-V978 HydrophobicContact CG1-CG2 4.3Å
740	Y	93.5	Very high	91.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-45.3	174	173.1	-103.8	0	0	0	111.8	F724 I727 N728 F731 N736 Y737 A742 Y743 L744 L974	F724-Y740 WeakPolarHBondContact CA-OH 3.46Å; F724-Y740 PolarHBondContact O-OH 3.3Å; I727-Y740 HydrophobicContact CB-CE2 4.06Å; I727-Y740 HydrophobicContact CG2-CD2 3.95Å; I727-Y740 HydrophobicContact CG2-CE2 3.4Å; N728-Y740 HydrophobicContact CB-CE1 3.76Å; F731-Y740 HydrophobicContact CB-CD1 4.4Å; N736-Y740 PolarHBondContact O-N 3.45Å; Y737-Y740 HydrophobicContact CD2-CD1 4.07Å; Y737-Y740 AromaticContact CE2-CD1 3.88Å; Y737-Y740 HydrophobicContact CE2-CD1 3.88Å; Y737-Y740 HydrophobicContact CE2-CE1 4.42Å; Y737-Y740 WeakPolarHBondContact O-CB 3.41Å; Y737-Y740 PolarHBondContact O-N 3.45Å; Y740-A742 VanDerWaalsContact C-N 3.3Å; Y740-A742 PolarHBondContact O-N 3.43Å; Y740-Y743 WeakPolarHBondContact O-CB 3.41Å; Y740-Y743 PolarHBondContact O-N 3.16Å; Y740-L744 HydrophobicContact CD1-CD1 4.29Å; Y740-L744 HydrophobicContact CE1-CD1 3.47Å; Y740-L744 VanDerWaalsContact CE1-CD1 3.47Å; Y740-L744 HydrophobicContact CE1-CG 3.99Å; Y740-L744 HydrophobicContact CE2-CD2 4.34Å; Y740-L744 HydrophobicContact CE2-CG 4.23Å; Y740-L744 PolarHBondContact O-N 2.89Å; Y740-L974 HydrophobicContact CD2-CD1 4.25Å
741	Q	94.5	Very high	91.9	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-39.5	175	-69.1	-161.2	-24.7	0	0	111.6	Y737 D738 Y743 L744 R745 I781 E783	Y737-Q741 HydrophobicContact CD1-CG 4.12Å; Y737-Q741 HydrophobicContact CD2-CG 4.18Å; Y737-Q741 HydrophobicContact CE1-CG 3.74Å; Y737-Q741 HydrophobicContact CE2-CG 3.8Å; Y737-Q741 HydrophobicContact CG-CG 4.33Å; Y737-Q741 WeakPolarHBondContact O-CG 3.29Å; Y737-Q741 PolarHBondContact O-N 3.4Å; Y737-Q741 PolarHBondContact OH-NE2 3.3Å; Y737-Q741 VanDerWaalsContact OH-NE2 3.08Å; D738-Q741 PolarHBondContact O-N 2.9Å; Q741-Y743 VanDerWaalsContact C-N 3.32Å; Q741-Y743 PolarHBondContact O-N 3.48Å; Q741-L744 PolarHBondContact O-N 3.02Å; Q741-R745 VanDerWaalsContact CB-NH1 3.3Å; Q741-R745 WeakPolarHBondContact O-CG 3.39Å; Q741-R745 PolarHBondContact O-N 3.14Å; Q741-I781 PolarHBondContact NE2-O 3.03Å; Q741-E783 PolarHBondContact NE2-OE1 2.93Å
742	A	94.4	Very high	91.9	Very high	20 Å²	20	39.5 Å²	39.5	17%	0.165	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.3	0	0	0	0	0	111.5	D738 V739 Y740 R745 T746 V978	D738-A742 WeakPolarHBondContact O-CB 3.46Å; D738-A742 PolarHBondContact O-N 2.9Å; V739-A742 WeakPolarHBondContact O-CB 3.29Å; V739-A742 PolarHBondContact O-N 3.23Å; Y740-A742 VanDerWaalsContact C-N 3.3Å; Y740-A742 PolarHBondContact O-N 3.43Å; A742-R745 WeakPolarHBondContact O-CB 3.45Å; A742-R745 PolarHBondContact O-N 3.04Å; A742-T746 WeakPolarHBondContact O-CG2 3.24Å; A742-T746 PolarHBondContact O-N 3.15Å; A742-V978 HydrophobicContact CB-CG1 3.74Å
743	Y	95.5	Very high	92	Very high	8 Å²	8	45.1 Å²	45.1	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-44.9	172.9	-173.7	-118.1	0	0	0	113.2	T705 V739 Y740 Q741 R745 T746 L747 W973 L974 V978	T705-Y743 PolarHBondContact OG1-OH 3.43Å; V739-Y743 PolarHBondContact O-N 2.84Å; Y740-Y743 WeakPolarHBondContact O-CB 3.41Å; Y740-Y743 PolarHBondContact O-N 3.16Å; Q741-Y743 VanDerWaalsContact C-N 3.32Å; Q741-Y743 PolarHBondContact O-N 3.48Å; Y743-R745 PolarHBondContact O-N 3.45Å; Y743-T746 PolarHBondContact O-N 3.29Å; Y743-T746 PolarHBondContact O-OG1 3Å; Y743-L747 HydrophobicContact CD1-CD1 4.25Å; Y743-L747 HydrophobicContact CE1-CD1 3.61Å; Y743-L747 HydrophobicContact CE1-CG 4.21Å; Y743-L747 HydrophobicContact CE2-CD2 4.22Å; Y743-L747 HydrophobicContact CE2-CG 4.28Å; Y743-L747 PolarHBondContact O-N 3.27Å; Y743-W973 HydrophobicContact CD1-CZ3 4.28Å; Y743-W973 HydrophobicContact CD2-CH2 4.42Å; Y743-W973 HydrophobicContact CD2-CZ3 4.1Å; Y743-W973 HydrophobicContact CE1-CH2 4.12Å; Y743-W973 AromaticContact CE1-CZ3 3.94Å; Y743-W973 HydrophobicContact CE1-CZ3 3.94Å; Y743-W973 AromaticContact CE2-CH2 3.65Å; Y743-W973 HydrophobicContact CE2-CH2 3.65Å; Y743-W973 AromaticContact CE2-CZ3 3.76Å; Y743-W973 HydrophobicContact CE2-CZ3 3.76Å; Y743-W973 HydrophobicContact CG-CZ3 4.36Å; Y743-W973 AromaticContact CZ-CH2 3.47Å; Y743-W973 VanDerWaalsContact CZ-CH2 3.47Å; Y743-W973 AromaticContact CZ-CZ3 3.69Å; Y743-W973 WeakPolarHBondContact OH-CH2 3.49Å; Y743-L974 HydrophobicContact CD1-CD2 3.94Å; Y743-L974 HydrophobicContact CD2-CD2 4.49Å; Y743-L974 HydrophobicContact CG-CD2 3.72Å; Y743-V978 HydrophobicContact CD2-CG2 3.86Å; Y743-V978 HydrophobicContact CG-CG2 4.08Å
744	L	95	Very high	91.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-39.6	175.7	-71.2	-174.4	0	0	0	111.6	F724 Y740 Q741 L747 L748 L778 A782	F724-L744 HydrophobicContact CB-CD2 3.84Å; F724-L744 HydrophobicContact CD1-CD2 3.65Å; F724-L744 HydrophobicContact CD2-CD2 4.11Å; F724-L744 HydrophobicContact CE1-CD2 4.21Å; F724-L744 HydrophobicContact CG-CD2 3.61Å; Y740-L744 HydrophobicContact CD1-CD1 4.29Å; Y740-L744 HydrophobicContact CE1-CD1 3.47Å; Y740-L744 VanDerWaalsContact CE1-CD1 3.47Å; Y740-L744 HydrophobicContact CE1-CG 3.99Å; Y740-L744 HydrophobicContact CE2-CD2 4.34Å; Y740-L744 HydrophobicContact CE2-CG 4.23Å; Y740-L744 PolarHBondContact O-N 2.89Å; Q741-L744 PolarHBondContact O-N 3.02Å; L744-L747 PolarHBondContact O-N 3.4Å; L744-L748 HydrophobicContact CB-CD1 4.38Å; L744-L748 WeakPolarHBondContact O-CB 3.32Å; L744-L748 VanDerWaalsContact O-CD1 3.25Å; L744-L748 WeakPolarHBondContact O-CD1 3.15Å; L744-L748 WeakPolarHBondContact O-CG 3.42Å; L744-L748 PolarHBondContact O-N 2.95Å; L744-L778 HydrophobicContact CD1-CD1 4.45Å; L744-A782 HydrophobicContact CB-CB 3.71Å; L744-A782 HydrophobicContact CD1-CB 4.1Å
745	R	95.7	Very high	91.7	Very high	45 Å²	45	43.2 Å²	43.2	17%	0.17	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-40.4	176.7	-71.7	-176.7	-71.8	-101	4.5	112	Q741 A742 Y743 L747 L748 D749 A782 H784	Q741-R745 VanDerWaalsContact CB-NH1 3.3Å; Q741-R745 WeakPolarHBondContact O-CG 3.39Å; Q741-R745 PolarHBondContact O-N 3.14Å; A742-R745 WeakPolarHBondContact O-CB 3.45Å; A742-R745 PolarHBondContact O-N 3.04Å; Y743-R745 PolarHBondContact O-N 3.45Å; R745-L747 PolarHBondContact O-N 3.03Å; R745-L748 PolarHBondContact O-N 2.83Å; R745-D749 PolarHBondContact O-N 2.97Å; R745-A782 WeakPolarHBondContact CD-O 3.38Å; R745-A782 HydrophobicContact CG-CB 4.22Å; R745-A782 WeakPolarHBondContact CG-O 3.49Å; R745-A782 PolarHBondContact NH1-O 3.07Å; R745-H784 HydrophobicContact CG-CB 4.26Å
746	T	94.3	Very high	91.1	Very high	62 Å²	62	38.4 Å²	38.4	38%	0.38	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-40.8	178.4	61.5	0	0	0	0	112	A742 Y743 L748	A742-T746 WeakPolarHBondContact O-CG2 3.24Å; A742-T746 PolarHBondContact O-N 3.15Å; Y743-T746 PolarHBondContact O-N 3.29Å; Y743-T746 PolarHBondContact O-OG1 3Å; T746-L748 VanDerWaalsContact C-N 3.32Å; T746-L748 PolarHBondContact O-N 3.01Å
747	L	94.9	Very high	90.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-34.3	175.8	-61.8	-176.3	0	0	0	112.5	T705 L708 W717 F724 Y743 L744 R745	T705-L747 WeakPolarHBondContact O-CD2 3.49Å; L708-L747 HydrophobicContact CB-CD2 4.4Å; L708-L747 HydrophobicContact CD1-CD1 4.48Å; W717-L747 HydrophobicContact CH2-CB 4.12Å; W717-L747 WeakPolarHBondContact CH2-O 3.39Å; F724-L747 HydrophobicContact CE1-CD1 4.12Å; F724-L747 HydrophobicContact CE2-CD1 4.13Å; F724-L747 HydrophobicContact CZ-CD1 3.5Å; Y743-L747 HydrophobicContact CD1-CD1 4.25Å; Y743-L747 HydrophobicContact CE1-CD1 3.61Å; Y743-L747 HydrophobicContact CE1-CG 4.21Å; Y743-L747 HydrophobicContact CE2-CD2 4.22Å; Y743-L747 HydrophobicContact CE2-CG 4.28Å; Y743-L747 PolarHBondContact O-N 3.27Å; L744-L747 PolarHBondContact O-N 3.4Å; R745-L747 PolarHBondContact O-N 3.03Å
748	L	93.7	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-88.5	-21.5	-172.7	-71.5	163.8	0	0	0	114.5	W717 L744 R745 T746 N750 Q751 I752 V775 L778 A779 A782	W717-L748 HydrophobicContact CE3-CD2 4.4Å; W717-L748 HydrophobicContact CH2-CD2 3.89Å; W717-L748 HydrophobicContact CH2-CG 4.41Å; W717-L748 HydrophobicContact CZ3-CD2 3.68Å; W717-L748 HydrophobicContact CZ3-CG 4.4Å; L744-L748 HydrophobicContact CB-CD1 4.38Å; L744-L748 WeakPolarHBondContact O-CB 3.32Å; L744-L748 VanDerWaalsContact O-CD1 3.25Å; L744-L748 WeakPolarHBondContact O-CD1 3.15Å; L744-L748 WeakPolarHBondContact O-CG 3.42Å; L744-L748 PolarHBondContact O-N 2.95Å; R745-L748 PolarHBondContact O-N 2.83Å; T746-L748 VanDerWaalsContact C-N 3.32Å; T746-L748 PolarHBondContact O-N 3.01Å; L748-N750 PolarHBondContact O-N 3.24Å; L748-Q751 PolarHBondContact O-N 3.12Å; L748-I752 WeakPolarHBondContact O-CG2 3.16Å; L748-I752 PolarHBondContact O-N 3.13Å; L748-V775 HydrophobicContact CD2-CG1 4.28Å; L748-L778 HydrophobicContact CD1-CB 4.28Å; L748-L778 HydrophobicContact CD1-CD2 4.19Å; L748-L778 HydrophobicContact CD1-CG 3.87Å; L748-L778 HydrophobicContact CD2-CB 4.44Å; L748-L778 HydrophobicContact CD2-CD2 4.15Å; L748-L778 HydrophobicContact CD2-CG 4.45Å; L748-A779 HydrophobicContact CD1-CB 4.29Å; L748-A782 HydrophobicContact CD1-CB 4.2Å
749	D	93.1	Very high	88	Confident	44 Å²	44	36.1 Å²	36.1	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-45.6	-168.5	-174.1	76.2	0	0	0	112.8	R745 I752 R753 H784	R745-D749 PolarHBondContact O-N 2.97Å; D749-I752 WeakPolarHBondContact O-CG2 3.4Å; D749-R753 VanDerWaalsContact CG-NE 3.31Å; D749-R753 WeakPolarHBondContact O-CB 3.24Å; D749-R753 WeakPolarHBondContact O-CD 3.23Å; D749-R753 WeakPolarHBondContact O-CG 3.38Å; D749-R753 PolarHBondContact O-N 3.36Å; D749-R753 IonicContact OD1-CZ 3.63Å; D749-R753 IonicContact OD1-NE 3.71Å; D749-R753 PolarHBondContact OD1-NE 3.31Å; D749-R753 IonicContact OD1-NH2 3.36Å; D749-R753 PolarHBondContact OD1-NH2 3.21Å; D749-R753 IonicContact OD2-CZ 2.75Å; D749-R753 IonicContact OD2-NE 3.62Å; D749-R753 PolarHBondContact OD2-NE 2.99Å; D749-R753 IonicContact OD2-NH2 2.99Å; D749-R753 PolarHBondContact OD2-NH2 2.83Å; D749-H784 IonicContact OD1-CE1 3.48Å; D749-H784 IonicContact OD1-NE2 3.15Å; D749-H784 PolarHBondContact OD1-NE2 2.9Å
750	N	91.8	Very high	85.8	Confident	77 Å²	77	39.3 Å²	39.3	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-43.4	176.4	-72.1	-22.5	0	0	0	112.2	D709 L748 R753 S754	D709-N750 VanDerWaalsContact O-CB 3.31Å; D709-N750 WeakPolarHBondContact O-CB 3.16Å; D709-N750 PolarHBondContact O-ND2 3.37Å; L748-N750 PolarHBondContact O-N 3.24Å; N750-R753 PolarHBondContact O-N 3.48Å; N750-S754 PolarHBondContact O-N 3.19Å
751	Q	89	Confident	83.6	Confident	24 Å²	24	44.6 Å²	44.6	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-45.4	-176.7	-65.2	-52.9	-55.2	0	0	111.6	E711 W717 L748 R753 S754 V755 V775	E711-Q751 PolarHBondContact O-NE2 3.23Å; E711-Q751 PolarHBondContact O-OE1 2.86Å; W717-Q751 HydrophobicContact CH2-CG 4.39Å; W717-Q751 HydrophobicContact CZ2-CB 4.43Å; W717-Q751 HydrophobicContact CZ2-CG 3.43Å; W717-Q751 VanDerWaalsContact CZ2-CG 3.43Å; L748-Q751 PolarHBondContact O-N 3.12Å; Q751-R753 VanDerWaalsContact C-N 3.27Å; Q751-R753 PolarHBondContact O-N 2.84Å; Q751-S754 PolarHBondContact O-N 3.04Å; Q751-S754 PolarHBondContact O-OG 3.38Å; Q751-V755 PolarHBondContact O-N 2.85Å; Q751-V775 HydrophobicContact CB-CG1 3.79Å; Q751-V775 HydrophobicContact CB-CG2 4.48Å
752	I	89.8	Confident	81.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-27.5	-178.3	-162.9	60.3	0	0	0	112.3	L748 D749 V755 W757 V775 I776 A779 L786	L748-I752 WeakPolarHBondContact O-CG2 3.16Å; L748-I752 PolarHBondContact O-N 3.13Å; D749-I752 WeakPolarHBondContact O-CG2 3.4Å; I752-V755 HydrophobicContact CD1-CG2 4.3Å; I752-W757 HydrophobicContact CD1-CH2 3.93Å; I752-W757 HydrophobicContact CD1-CZ2 3.48Å; I752-W757 VanDerWaalsContact CD1-CZ2 3.48Å; I752-W757 HydrophobicContact CG1-CZ2 3.8Å; I752-W757 PolarHBondContact O-NE1 3.19Å; I752-V775 HydrophobicContact CD1-CG1 4.31Å; I752-I776 HydrophobicContact CD1-CB 4.47Å; I752-I776 HydrophobicContact CD1-CG1 3.95Å; I752-A779 HydrophobicContact CB-CB 4.4Å; I752-A779 HydrophobicContact CD1-CB 3.61Å; I752-A779 HydrophobicContact CG1-CB 3.85Å; I752-L786 HydrophobicContact CG2-CD1 4.24Å
753	R	90.1	Very high	79.4	Confident	142 Å²	142	58.2 Å²	58.2	54%	0.536	32%	0.316	S	S	.	.	H	α-helix	trans	-72.2	-30.2	170.6	-73.2	174.4	-166.2	-83.1	-8.7	113.2	D749 N750 Q751 V755 L786	D749-R753 VanDerWaalsContact CG-NE 3.31Å; D749-R753 WeakPolarHBondContact O-CB 3.24Å; D749-R753 WeakPolarHBondContact O-CD 3.23Å; D749-R753 WeakPolarHBondContact O-CG 3.38Å; D749-R753 PolarHBondContact O-N 3.36Å; D749-R753 IonicContact OD1-CZ 3.63Å; D749-R753 IonicContact OD1-NE 3.71Å; D749-R753 PolarHBondContact OD1-NE 3.31Å; D749-R753 IonicContact OD1-NH2 3.36Å; D749-R753 PolarHBondContact OD1-NH2 3.21Å; D749-R753 IonicContact OD2-CZ 2.75Å; D749-R753 IonicContact OD2-NE 3.62Å; D749-R753 PolarHBondContact OD2-NE 2.99Å; D749-R753 IonicContact OD2-NH2 2.99Å; D749-R753 PolarHBondContact OD2-NH2 2.83Å; N750-R753 PolarHBondContact O-N 3.48Å; Q751-R753 VanDerWaalsContact C-N 3.27Å; Q751-R753 PolarHBondContact O-N 2.84Å; R753-V755 VanDerWaalsContact C-N 3.34Å; R753-L786 HydrophobicContact CG-CD1 3.63Å
754	S	84.8	Confident	77.8	Confident	70 Å²	70	59 Å²	59	49%	0.49	32%	0.32	S	S	.	.	H	α-helix	trans	-82.5	-11.2	178.4	76.5	0	0	0	0	114	N750 Q751 N756	N750-S754 PolarHBondContact O-N 3.19Å; Q751-S754 PolarHBondContact O-N 3.04Å; Q751-S754 PolarHBondContact O-OG 3.38Å; S754-N756 PolarHBondContact O-N 3.33Å
755	V	82.8	Confident	76.9	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.048	33%	0.333	C	S	.	.	S	Bend	trans	-62.3	131	172.9	169.4	0	0	0	0	109.6	Q751 I752 R753 W757 Y772 V775 I776	Q751-V755 PolarHBondContact O-N 2.85Å; I752-V755 HydrophobicContact CD1-CG2 4.3Å; R753-V755 VanDerWaalsContact C-N 3.34Å; V755-W757 HydrophobicContact CG1-CD2 4.27Å; V755-W757 HydrophobicContact CG1-CG 4.48Å; V755-W757 HydrophobicContact CG1-CZ2 4.42Å; V755-W757 PolarHBondContact O-N 2.92Å; V755-Y772 HydrophobicContact CB-CD1 4.47Å; V755-Y772 HydrophobicContact CG1-CD1 4.49Å; V755-Y772 HydrophobicContact CG1-CG 4.49Å; V755-Y772 HydrophobicContact CG2-CD1 3.9Å; V755-Y772 HydrophobicContact CG2-CE1 4.29Å; V755-V775 HydrophobicContact CG2-CG1 4.27Å; V755-I776 HydrophobicContact CG1-CD1 3.63Å; V755-I776 HydrophobicContact CG1-CG1 4Å; V755-I776 HydrophobicContact CG2-CG1 4.11Å
756	N	77.1	Confident	76.1	Confident	78 Å²	78	60.2 Å²	60.2	42%	0.417	33%	0.329	S	S	.	.			trans	-75.2	109.6	167.9	-172.8	1.6	0	0	0	110.1	S754 S758 Y772	S754-N756 PolarHBondContact O-N 3.33Å; N756-S758 VanDerWaalsContact CG-OG 3.27Å; N756-S758 PolarHBondContact ND2-OG 3.47Å; N756-S758 WeakPolarHBondContact OD1-CB 3.31Å; N756-S758 PolarHBondContact OD1-N 2.95Å; N756-S758 PolarHBondContact OD1-OG 3.45Å; N756-Y772 HydrophobicContact CB-CE2 4.5Å
757	W	75.9	Confident	75.4	Confident	42 Å²	42	57.7 Å²	57.7	16%	0.159	31%	0.313	C	S	.	.			trans	-87.3	-0.3	176.2	-63.1	92	0	0	0	113.5	I752 V755 F759 I776 C787 K790	I752-W757 HydrophobicContact CD1-CH2 3.93Å; I752-W757 HydrophobicContact CD1-CZ2 3.48Å; I752-W757 VanDerWaalsContact CD1-CZ2 3.48Å; I752-W757 HydrophobicContact CG1-CZ2 3.8Å; I752-W757 PolarHBondContact O-NE1 3.19Å; V755-W757 HydrophobicContact CG1-CD2 4.27Å; V755-W757 HydrophobicContact CG1-CG 4.48Å; V755-W757 HydrophobicContact CG1-CZ2 4.42Å; V755-W757 PolarHBondContact O-N 2.92Å; W757-F759 VanDerWaalsContact C-N 3.33Å; W757-F759 HydrophobicContact CB-CE2 4.27Å; W757-F759 AromaticContact CE3-CE2 3.86Å; W757-F759 HydrophobicContact CE3-CE2 3.86Å; W757-F759 AromaticContact CE3-CZ 3.62Å; W757-F759 HydrophobicContact CE3-CZ 3.62Å; W757-F759 HydrophobicContact CZ3-CZ 4.09Å; W757-F759 WeakPolarHBondContact O-CD2 3.33Å; W757-F759 WeakPolarHBondContact O-CE2 3.5Å; W757-F759 PolarHBondContact O-N 3.11Å; W757-I776 HydrophobicContact CH2-CD1 4.46Å; W757-I776 HydrophobicContact CH2-CG1 4.21Å; W757-I776 HydrophobicContact CH2-CG2 4.15Å; W757-I776 HydrophobicContact CZ3-CD1 4.48Å; W757-I776 HydrophobicContact CZ3-CG2 4.44Å; W757-C787 HydrophobicContact CH2-CB 4.37Å; W757-K790 HydrophobicContact CB-CD 4.47Å; W757-K790 HydrophobicContact CD2-CB 3.98Å; W757-K790 HydrophobicContact CD2-CD 4.43Å; W757-K790 HydrophobicContact CD2-CG 3.86Å; W757-K790 HydrophobicContact CE3-CB 3.42Å; W757-K790 VanDerWaalsContact CE3-CB 3.42Å; W757-K790 HydrophobicContact CE3-CD 4.49Å; W757-K790 HydrophobicContact CE3-CG 3.85Å; W757-K790 HydrophobicContact CG-CD 4.43Å; W757-K790 HydrophobicContact CG-CG 4.29Å; W757-K790 HydrophobicContact CH2-CB 4.12Å; W757-K790 HydrophobicContact CZ3-CB 3.52Å; W757-K790 HydrophobicContact CZ3-CG 4.26Å
758	S	67	Low	74.8	Confident	59 Å²	59	62.4 Å²	62.4	41%	0.413	33%	0.334	S	S	.	.			trans	-69.9	98.4	166.1	71.6	0	0	0	0	106.7	N756 V760	N756-S758 VanDerWaalsContact CG-OG 3.27Å; N756-S758 PolarHBondContact ND2-OG 3.47Å; N756-S758 WeakPolarHBondContact OD1-CB 3.31Å; N756-S758 PolarHBondContact OD1-N 2.95Å; N756-S758 PolarHBondContact OD1-OG 3.45Å; S758-V760 PolarHBondContact O-N 2.81Å
759	F	61.5	Low	74.3	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.132	34%	0.335	C	S	.	.			trans	-66.7	25.8	174.2	-62.7	-93	0	0	0	112.2	W757 L794 R808 M811	W757-F759 VanDerWaalsContact C-N 3.33Å; W757-F759 HydrophobicContact CB-CE2 4.27Å; W757-F759 AromaticContact CE3-CE2 3.86Å; W757-F759 HydrophobicContact CE3-CE2 3.86Å; W757-F759 AromaticContact CE3-CZ 3.62Å; W757-F759 HydrophobicContact CE3-CZ 3.62Å; W757-F759 HydrophobicContact CZ3-CZ 4.09Å; W757-F759 WeakPolarHBondContact O-CD2 3.33Å; W757-F759 WeakPolarHBondContact O-CE2 3.5Å; W757-F759 PolarHBondContact O-N 3.11Å; F759-L794 HydrophobicContact CD1-CD1 4.24Å; F759-L794 HydrophobicContact CD2-CD1 3.44Å; F759-L794 VanDerWaalsContact CD2-CD1 3.44Å; F759-L794 HydrophobicContact CD2-CD2 3.5Å; F759-L794 HydrophobicContact CD2-CG 4.05Å; F759-L794 HydrophobicContact CE1-CD1 3.8Å; F759-L794 HydrophobicContact CE2-CD1 2.99Å; F759-L794 HydrophobicContact CE2-CD2 3.87Å; F759-L794 HydrophobicContact CE2-CG 3.92Å; F759-L794 HydrophobicContact CG-CD1 4.1Å; F759-L794 HydrophobicContact CG-CD2 4.24Å; F759-L794 HydrophobicContact CZ-CD1 3.17Å; F759-L794 HydrophobicContact CZ-CG 4.48Å; F759-R808 HydrophobicContact CB-CB 4.44Å; F759-R808 HydrophobicContact CD1-CB 4.38Å; F759-M811 HydrophobicContact CD1-CB 4.1Å; F759-M811 HydrophobicContact CD1-CG 4.19Å; F759-M811 HydrophobicContact CE1-CB 3.74Å; F759-M811 HydrophobicContact CE1-CG 3.83Å
760	V	46.7	Very low	73.8	Confident	102 Å²	102	63 Å²	63	62%	0.618	33%	0.333	S	S	*	.	S	Bend	trans	-136.3	129.1	-165.8	-174.8	0	0	0	0	111.9	S758	S758-V760 PolarHBondContact O-N 2.81Å
761	S	48.1	Very low	73.4	Confident	114 Å²	114	60.2 Å²	60.2	80%	0.797	32%	0.32	S	S	*	.	S	Bend	trans	61.9	31.9	146.4	84.8	0	0	0	0	125.1
762	E	49.8	Very low	73.2	Confident	165 Å²	165	60.6 Å²	60.6	77%	0.771	32%	0.32	S	S	*	.			trans	-126.1	141.1	149.2	-75.2	-174	177.8	0	0	110.2	Q764	E762-Q764 PolarHBondContact O-N 3.22Å
763	V	51.6	Low	73.1	Confident	147 Å²	147	63.5 Å²	63.5	89%	0.891	33%	0.331	S	S	*	.			trans	-62.7	90.2	170.6	-179.6	0	0	0	0	106.6
764	Q	61.1	Low	72.9	Confident	24 Å²	24	57.2 Å²	57.2	11%	0.112	31%	0.31	C	S	.	.			trans	-77.9	144	178.2	-69	-165.9	19.1	0	0	109.8	I398 E762 M769	I398-Q764 WeakPolarHBondContact CD1-O 3.26Å; E762-Q764 PolarHBondContact O-N 3.22Å; Q764-M769 HydrophobicContact CB-CE 3.39Å; Q764-M769 HydrophobicContact CB-CG 3.59Å; Q764-M769 HydrophobicContact CB-SD 3.9Å; Q764-M769 HydrophobicContact CG-CE 3.5Å; Q764-M769 HydrophobicContact CG-SD 4.28Å; Q764-M769 PolarHBondContact OE1-SD 3.21Å
765	H	76	Confident	73.2	Confident	58 Å²	58	54.1 Å²	54.1	27%	0.269	29%	0.288	S	S	.	.			trans	-52.6	125.1	172.5	-170.5	-85	0	0	0	111.8	E450 W451 L767 K768 M769	E450-H765 WeakPolarHBondContact CB-NE2 3.46Å; E450-H765 VanDerWaalsContact CG-NE2 3.29Å; E450-H765 WeakPolarHBondContact CG-NE2 3.38Å; E450-H765 PolarHBondContact O-CE1 3.35Å; E450-H765 PolarHBondContact O-NE2 2.91Å; W451-H765 AromaticContact CD1-CE1 3.67Å; W451-H765 AromaticContact CD1-NE2 3.51Å; H765-L767 VanDerWaalsContact C-N 3.34Å; H765-L767 WeakPolarHBondContact ND1-CB 3.49Å; H765-L767 PolarHBondContact ND1-N 3.28Å; H765-L767 PolarHBondContact O-N 3.49Å; H765-K768 HydrophobicContact CB-CB 3.98Å; H765-K768 WeakPolarHBondContact O-CA 3.34Å; H765-K768 VanDerWaalsContact O-CB 3.31Å; H765-K768 WeakPolarHBondContact O-CB 3.39Å; H765-K768 PolarHBondContact O-N 3.02Å; H765-M769 PolarHBondContact O-N 2.77Å; H765-M769 VanDerWaalsContact O-N 3.1Å
766	P	78.8	Confident	73.6	Confident	15 Å²	15	53.9 Å²	53.9	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-50.5	-43.7	-177.6	-34.2	39.5	0	0	0	114.9	I398 I402 W451 K768 M769 R770	I398-P766 WeakPolarHBondContact O-CB 3.35Å; I398-P766 WeakPolarHBondContact O-CG 3.5Å; I402-P766 HydrophobicContact CD1-CB 3.53Å; I402-P766 HydrophobicContact CG1-CB 3.82Å; W451-P766 HydrophobicContact CZ2-CG 3.88Å; P766-K768 VanDerWaalsContact C-N 3.35Å; P766-K768 PolarHBondContact O-N 3.43Å; P766-M769 WeakPolarHBondContact O-CB 3.48Å; P766-M769 PolarHBondContact O-N 3.08Å; P766-R770 PolarHBondContact O-N 3.1Å
767	L	80.6	Confident	74.3	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-38	174.6	-70.8	-171	0	0	0	113.6	I402 W451 K452 L456 F714 H765 M769 R770 S771	I402-L767 HydrophobicContact CD1-CD2 4.07Å; W451-L767 HydrophobicContact CB-CG 4.47Å; W451-L767 WeakPolarHBondContact O-CD1 3.17Å; W451-L767 WeakPolarHBondContact O-CG 3.38Å; K452-L767 HydrophobicContact CB-CD1 3.79Å; K452-L767 HydrophobicContact CD-CD1 4.38Å; K452-L767 HydrophobicContact CG-CD1 4.17Å; L456-L767 HydrophobicContact CD1-CD2 4.11Å; L456-L767 HydrophobicContact CD2-CD2 3.59Å; L456-L767 HydrophobicContact CG-CD2 3.95Å; F714-L767 HydrophobicContact CE1-CD2 4.1Å; H765-L767 VanDerWaalsContact C-N 3.34Å; H765-L767 WeakPolarHBondContact ND1-CB 3.49Å; H765-L767 PolarHBondContact ND1-N 3.28Å; H765-L767 PolarHBondContact O-N 3.49Å; L767-M769 PolarHBondContact O-N 3.23Å; L767-R770 PolarHBondContact O-N 3.27Å; L767-S771 PolarHBondContact O-N 3.35Å
768	K	80.8	Confident	75.2	Confident	103 Å²	103	50.2 Å²	50.2	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-34.7	178.9	-173.1	175.9	179	179.6	0	109.6	H765 P766 S771 Y772	H765-K768 HydrophobicContact CB-CB 3.98Å; H765-K768 WeakPolarHBondContact O-CA 3.34Å; H765-K768 VanDerWaalsContact O-CB 3.31Å; H765-K768 WeakPolarHBondContact O-CB 3.39Å; H765-K768 PolarHBondContact O-N 3.02Å; P766-K768 VanDerWaalsContact C-N 3.35Å; P766-K768 PolarHBondContact O-N 3.43Å; K768-S771 VanDerWaalsContact O-CB 3.3Å; K768-S771 WeakPolarHBondContact O-CB 3.45Å; K768-S771 PolarHBondContact O-N 2.92Å; K768-Y772 HydrophobicContact CD-CE2 4.32Å; K768-Y772 VanDerWaalsContact CE-CZ 3.46Å; K768-Y772 WeakPolarHBondContact CE-OH 3.13Å; K768-Y772 HydrophobicContact CG-CD2 4.41Å; K768-Y772 HydrophobicContact CG-CE2 3.97Å; K768-Y772 PolarHBondContact O-N 3.09Å
769	M	83.3	Confident	76.5	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-72.9	-38.1	175.8	-68.2	-66.9	-141.2	0	0	112.9	I398 Q764 H765 P766 L767 S771 Y772 Y773 R808	I398-M769 HydrophobicContact CG2-CB 3.34Å; I398-M769 HydrophobicContact CG2-CG 3.43Å; I398-M769 VanDerWaalsContact CG2-CG 3.43Å; Q764-M769 HydrophobicContact CB-CE 3.39Å; Q764-M769 HydrophobicContact CB-CG 3.59Å; Q764-M769 HydrophobicContact CB-SD 3.9Å; Q764-M769 HydrophobicContact CG-CE 3.5Å; Q764-M769 HydrophobicContact CG-SD 4.28Å; Q764-M769 PolarHBondContact OE1-SD 3.21Å; H765-M769 PolarHBondContact O-N 2.77Å; H765-M769 VanDerWaalsContact O-N 3.1Å; P766-M769 WeakPolarHBondContact O-CB 3.48Å; P766-M769 PolarHBondContact O-N 3.08Å; L767-M769 PolarHBondContact O-N 3.23Å; M769-S771 VanDerWaalsContact C-N 3.26Å; M769-S771 PolarHBondContact O-N 2.86Å; M769-Y772 PolarHBondContact O-N 3.49Å; M769-Y772 HydrophobicContact SD-CD2 4.01Å; M769-Y773 WeakPolarHBondContact O-CB 3.47Å; M769-Y773 PolarHBondContact O-N 2.85Å; M769-R808 VanDerWaalsContact CE-NH2 3.31Å; M769-R808 PolarHBondContact SD-NH1 3.42Å; M769-R808 PolarHBondContact SD-NH2 3.21Å
770	R	83.3	Confident	78.1	Confident	48 Å²	48	46.1 Å²	46.1	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-38.8	167.2	-71.2	-171	177.2	-164.2	-3.3	111.5	A399 D403 D460 F714 P766 L767 Y773 A774	A399-R770 HydrophobicContact CB-CG 3.92Å; D403-R770 IonicContact OD1-CZ 2.95Å; D403-R770 IonicContact OD1-NH2 3.93Å; D403-R770 PolarHBondContact OD1-NH2 3.31Å; D403-R770 IonicContact OD2-NH2 2.86Å; D460-R770 IonicContact OD2-NH1 3.82Å; F714-R770 HydrophobicContact CE2-CB 3.6Å; F714-R770 HydrophobicContact CZ-CB 3.78Å; P766-R770 PolarHBondContact O-N 3.1Å; L767-R770 PolarHBondContact O-N 3.27Å; R770-Y773 PolarHBondContact O-N 2.85Å; R770-A774 PolarHBondContact O-N 3.25Å
771	S	82.5	Confident	80.3	Confident	19 Å²	19	42.6 Å²	42.6	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-53.3	175.8	-170	0	0	0	0	112.4	F714 L767 K768 M769 Y773 A774 V775	F714-S771 VanDerWaalsContact CD2-CA 3.44Å; F714-S771 VanDerWaalsContact CD2-CB 3.48Å; L767-S771 PolarHBondContact O-N 3.35Å; K768-S771 VanDerWaalsContact O-CB 3.3Å; K768-S771 WeakPolarHBondContact O-CB 3.45Å; K768-S771 PolarHBondContact O-N 2.92Å; M769-S771 VanDerWaalsContact C-N 3.26Å; M769-S771 PolarHBondContact O-N 2.86Å; S771-Y773 VanDerWaalsContact C-N 3.29Å; S771-Y773 PolarHBondContact O-N 3.37Å; S771-A774 PolarHBondContact O-N 3.2Å; S771-A774 VanDerWaalsContact O-N 3.14Å; S771-V775 PolarHBondContact O-N 3.45Å
772	Y	85.6	Confident	82.5	Confident	32 Å²	32	37.1 Å²	37.1	13%	0.125	18%	0.182	C	C	.	.	H	α-helix	trans	-58.5	-42.1	175.8	-68.9	-23.4	0	0	0	111.9	V755 N756 K768 M769 A774 V775 I776	V755-Y772 HydrophobicContact CB-CD1 4.47Å; V755-Y772 HydrophobicContact CG1-CD1 4.49Å; V755-Y772 HydrophobicContact CG1-CG 4.49Å; V755-Y772 HydrophobicContact CG2-CD1 3.9Å; V755-Y772 HydrophobicContact CG2-CE1 4.29Å; N756-Y772 HydrophobicContact CB-CE2 4.5Å; K768-Y772 HydrophobicContact CD-CE2 4.32Å; K768-Y772 VanDerWaalsContact CE-CZ 3.46Å; K768-Y772 WeakPolarHBondContact CE-OH 3.13Å; K768-Y772 HydrophobicContact CG-CD2 4.41Å; K768-Y772 HydrophobicContact CG-CE2 3.97Å; K768-Y772 PolarHBondContact O-N 3.09Å; M769-Y772 PolarHBondContact O-N 3.49Å; M769-Y772 HydrophobicContact SD-CD2 4.01Å; Y772-A774 VanDerWaalsContact C-N 3.33Å; Y772-A774 PolarHBondContact O-N 3.38Å; Y772-V775 PolarHBondContact O-N 3.5Å; Y772-I776 VanDerWaalsContact O-CB 3.26Å; Y772-I776 WeakPolarHBondContact O-CB 3.19Å; Y772-I776 WeakPolarHBondContact O-CD1 3.22Å; Y772-I776 WeakPolarHBondContact O-CG1 3.37Å; Y772-I776 PolarHBondContact O-N 2.89Å
773	Y	86.8	Confident	84.6	Confident	60 Å²	60	31.8 Å²	31.8	24%	0.235	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-46.3	176.5	-179.1	-84.1	0	0	0	111.5	M769 R770 S771 K777 D810 M811 I814	M769-Y773 WeakPolarHBondContact O-CB 3.47Å; M769-Y773 PolarHBondContact O-N 2.85Å; R770-Y773 PolarHBondContact O-N 2.85Å; S771-Y773 VanDerWaalsContact C-N 3.29Å; S771-Y773 PolarHBondContact O-N 3.37Å; Y773-K777 HydrophobicContact CD1-CD 4.46Å; Y773-K777 HydrophobicContact CE1-CB 4.39Å; Y773-K777 HydrophobicContact CE1-CD 3.59Å; Y773-K777 WeakPolarHBondContact O-CB 3.38Å; Y773-K777 PolarHBondContact O-N 3.27Å; Y773-K777 PolarHBondContact OH-NZ 3.31Å; Y773-D810 WeakPolarHBondContact CD2-O 3.43Å; Y773-D810 WeakPolarHBondContact CE2-O 3.33Å; Y773-M811 HydrophobicContact CD2-SD 4.47Å; Y773-I814 HydrophobicContact CD1-CD1 4.3Å; Y773-I814 HydrophobicContact CD2-CD1 3.4Å; Y773-I814 HydrophobicContact CD2-CG1 4.22Å; Y773-I814 HydrophobicContact CE1-CD1 4.24Å; Y773-I814 HydrophobicContact CE2-CD1 3.33Å; Y773-I814 HydrophobicContact CE2-CG1 3.66Å; Y773-I814 HydrophobicContact CG-CD1 3.89Å
774	A	87.2	Confident	86.7	Confident	10 Å²	10	25 Å²	25	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-43.6	-178.4	0	0	0	0	0	113.4	I718 R770 S771 Y772 L778	I718-A774 HydrophobicContact CD1-CB 3.23Å; I718-A774 HydrophobicContact CG1-CB 4.42Å; R770-A774 PolarHBondContact O-N 3.25Å; S771-A774 PolarHBondContact O-N 3.2Å; S771-A774 VanDerWaalsContact O-N 3.14Å; Y772-A774 VanDerWaalsContact C-N 3.33Å; Y772-A774 PolarHBondContact O-N 3.38Å; A774-L778 WeakPolarHBondContact O-CB 3.42Å; A774-L778 PolarHBondContact O-N 3.4Å
775	V	90.1	Very high	88.4	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-49.5	177	172.1	0	0	0	0	110.5	L748 Q751 I752 V755 S771 Y772 K777 L778 A779	L748-V775 HydrophobicContact CD2-CG1 4.28Å; Q751-V775 HydrophobicContact CB-CG1 3.79Å; Q751-V775 HydrophobicContact CB-CG2 4.48Å; I752-V775 HydrophobicContact CD1-CG1 4.31Å; V755-V775 HydrophobicContact CG2-CG1 4.27Å; S771-V775 PolarHBondContact O-N 3.45Å; Y772-V775 PolarHBondContact O-N 3.5Å; V775-K777 PolarHBondContact O-N 3.08Å; V775-L778 PolarHBondContact O-N 3.06Å; V775-A779 VanDerWaalsContact O-CB 3.29Å; V775-A779 WeakPolarHBondContact O-CB 3.47Å; V775-A779 PolarHBondContact O-N 3.46Å
776	I	92.2	Very high	89.2	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-43.3	179.2	-63.6	170.5	0	0	0	110.2	I752 V755 W757 Y772 L778 A779 C780 C787 M811 I814	I752-I776 HydrophobicContact CD1-CB 4.47Å; I752-I776 HydrophobicContact CD1-CG1 3.95Å; V755-I776 HydrophobicContact CG1-CD1 3.63Å; V755-I776 HydrophobicContact CG1-CG1 4Å; V755-I776 HydrophobicContact CG2-CG1 4.11Å; W757-I776 HydrophobicContact CH2-CD1 4.46Å; W757-I776 HydrophobicContact CH2-CG1 4.21Å; W757-I776 HydrophobicContact CH2-CG2 4.15Å; W757-I776 HydrophobicContact CZ3-CD1 4.48Å; W757-I776 HydrophobicContact CZ3-CG2 4.44Å; Y772-I776 VanDerWaalsContact O-CB 3.26Å; Y772-I776 WeakPolarHBondContact O-CB 3.19Å; Y772-I776 WeakPolarHBondContact O-CD1 3.22Å; Y772-I776 WeakPolarHBondContact O-CG1 3.37Å; Y772-I776 PolarHBondContact O-N 2.89Å; I776-L778 VanDerWaalsContact C-N 3.35Å; I776-L778 PolarHBondContact O-N 2.94Å; I776-A779 PolarHBondContact O-N 2.72Å; I776-C780 WeakPolarHBondContact O-CB 3.43Å; I776-C780 PolarHBondContact O-N 2.92Å; I776-C787 VanDerWaalsContact CG2-SG 3.55Å; I776-C787 PolarHBondContact O-SG 2.86Å; I776-M811 HydrophobicContact CD1-CE 3.57Å; I776-M811 HydrophobicContact CD1-SD 3.82Å; I776-I814 HydrophobicContact CG2-CD1 4.38Å; I776-I814 HydrophobicContact CG2-CG2 4.01Å
777	K	92.1	Very high	90	Very high	40 Å²	40	26.6 Å²	26.6	17%	0.174	12%	0.123	C	C	.	.	H	α-helix	trans	-58.9	-47.2	177.2	-176.2	167.7	-173	161.2	0	111.3	Y773 V775 C780 I781 I814	Y773-K777 HydrophobicContact CD1-CD 4.46Å; Y773-K777 HydrophobicContact CE1-CB 4.39Å; Y773-K777 HydrophobicContact CE1-CD 3.59Å; Y773-K777 WeakPolarHBondContact O-CB 3.38Å; Y773-K777 PolarHBondContact O-N 3.27Å; Y773-K777 PolarHBondContact OH-NZ 3.31Å; V775-K777 PolarHBondContact O-N 3.08Å; K777-C780 PolarHBondContact O-N 2.73Å; K777-I781 HydrophobicContact CG-CD1 4.1Å; K777-I781 VanDerWaalsContact O-CG1 3.27Å; K777-I781 WeakPolarHBondContact O-CG1 3.21Å; K777-I781 PolarHBondContact O-N 2.79Å; K777-I814 HydrophobicContact CB-CD1 3.82Å; K777-I814 HydrophobicContact CB-CG1 4.36Å
778	L	93.9	Very high	90.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-39.3	178.8	-169	61.9	0	0	0	111.5	W717 F724 R725 L744 L748 A774 V775 I776 C780 I781 A782	W717-L778 HydrophobicContact CZ3-CD2 4.47Å; F724-L778 HydrophobicContact CB-CD1 4.1Å; F724-L778 HydrophobicContact CB-CD2 4.27Å; F724-L778 HydrophobicContact CD2-CD2 3.74Å; F724-L778 HydrophobicContact CG-CD2 4.43Å; R725-L778 HydrophobicContact CG-CD1 4.19Å; L744-L778 HydrophobicContact CD1-CD1 4.45Å; L748-L778 HydrophobicContact CD1-CB 4.28Å; L748-L778 HydrophobicContact CD1-CD2 4.19Å; L748-L778 HydrophobicContact CD1-CG 3.87Å; L748-L778 HydrophobicContact CD2-CB 4.44Å; L748-L778 HydrophobicContact CD2-CD2 4.15Å; L748-L778 HydrophobicContact CD2-CG 4.45Å; A774-L778 WeakPolarHBondContact O-CB 3.42Å; A774-L778 PolarHBondContact O-N 3.4Å; V775-L778 PolarHBondContact O-N 3.06Å; I776-L778 VanDerWaalsContact C-N 3.35Å; I776-L778 PolarHBondContact O-N 2.94Å; L778-C780 PolarHBondContact O-N 3.28Å; L778-I781 PolarHBondContact O-N 3.13Å; L778-A782 WeakPolarHBondContact O-CB 3.45Å; L778-A782 PolarHBondContact O-N 3.18Å
779	A	95	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-39.1	176.4	0	0	0	0	0	112.7	L748 I752 V775 I776 A782 E783 H784 C787	L748-A779 HydrophobicContact CD1-CB 4.29Å; I752-A779 HydrophobicContact CB-CB 4.4Å; I752-A779 HydrophobicContact CD1-CB 3.61Å; I752-A779 HydrophobicContact CG1-CB 3.85Å; V775-A779 VanDerWaalsContact O-CB 3.29Å; V775-A779 WeakPolarHBondContact O-CB 3.47Å; V775-A779 PolarHBondContact O-N 3.46Å; I776-A779 PolarHBondContact O-N 2.72Å; A779-A782 CarbonylContact O-C 3.57Å; A779-A782 PolarHBondContact O-N 2.75Å; A779-E783 PolarHBondContact O-N 3.2Å; A779-E783 VanDerWaalsContact O-N 3.13Å; A779-H784 HydrophobicContact CB-CB 4.03Å; A779-H784 VanDerWaalsContact O-CB 3.3Å; A779-H784 WeakPolarHBondContact O-CB 3.32Å; A779-H784 PolarHBondContact O-N 3.23Å; A779-C787 HydrophobicContact CB-CB 3.98Å
780	C	95.2	Very high	92	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-75.1	-25.9	175.3	-84	0	0	0	0	112.8	I776 K777 L778 C787 I814 T818 R821	I776-C780 WeakPolarHBondContact O-CB 3.43Å; I776-C780 PolarHBondContact O-N 2.92Å; K777-C780 PolarHBondContact O-N 2.73Å; L778-C780 PolarHBondContact O-N 3.28Å; C780-C787 VanDerWaalsContact CA-SG 3.54Å; C780-C787 HydrophobicContact CB-CB 4.19Å; C780-C787 WeakPolarHBondContact CB-SG 3.43Å; C780-C787 PolarHBondContact N-SG 3.13Å; C780-C787 WeakPolarHBondContact SG-CB 3.46Å; C780-C787 CovalentContact SG-SG 2.04Å; C780-C787 PolarHBondContact SG-SG 2.92Å; C780-I814 HydrophobicContact CB-CG2 4.31Å; C780-T818 HydrophobicContact CB-CG2 4.48Å; C780-T818 WeakPolarHBondContact CB-OG1 3.01Å; C780-T818 PolarHBondContact SG-OG1 2.99Å; C780-T818 VanDerWaalsContact SG-OG1 3.36Å; C780-R821 PolarHBondContact O-NH1 3.32Å
781	I	92.5	Very high	92.5	Very high	28 Å²	28	27.6 Å²	27.6	14%	0.144	13%	0.134	C	C	.	.	H	α-helix	trans	-69	-41.6	167.2	-71.6	166.4	0	0	0	110.4	R725 Q741 K777 L778 E783	R725-I781 HydrophobicContact CG-CD1 4.26Å; Q741-I781 PolarHBondContact NE2-O 3.03Å; K777-I781 HydrophobicContact CG-CD1 4.1Å; K777-I781 VanDerWaalsContact O-CG1 3.27Å; K777-I781 WeakPolarHBondContact O-CG1 3.21Å; K777-I781 PolarHBondContact O-N 2.79Å; L778-I781 PolarHBondContact O-N 3.13Å; I781-E783 PolarHBondContact O-N 3.01Å
782	A	94.2	Very high	93.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	6.5	176.4	0	0	0	0	0	113.9	L744 R745 L748 L778 A779 H784	L744-A782 HydrophobicContact CB-CB 3.71Å; L744-A782 HydrophobicContact CD1-CB 4.1Å; R745-A782 WeakPolarHBondContact CD-O 3.38Å; R745-A782 HydrophobicContact CG-CB 4.22Å; R745-A782 WeakPolarHBondContact CG-O 3.49Å; R745-A782 PolarHBondContact NH1-O 3.07Å; L748-A782 HydrophobicContact CD1-CB 4.2Å; L778-A782 WeakPolarHBondContact O-CB 3.45Å; L778-A782 PolarHBondContact O-N 3.18Å; A779-A782 CarbonylContact O-C 3.57Å; A779-A782 PolarHBondContact O-N 2.75Å; A782-H784 PolarHBondContact O-N 2.56Å; A782-H784 VanDerWaalsContact O-N 3.09Å
783	E	94.6	Very high	93.6	Very high	53 Å²	53	30.5 Å²	30.5	25%	0.248	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	34.8	179.8	-53.6	-170.6	-154.4	0	0	112.9	Q741 A779 I781 H785 F822 R857	Q741-E783 PolarHBondContact NE2-OE1 2.93Å; A779-E783 PolarHBondContact O-N 3.2Å; A779-E783 VanDerWaalsContact O-N 3.13Å; I781-E783 PolarHBondContact O-N 3.01Å; E783-H785 PolarHBondContact O-N 2.8Å; E783-F822 HydrophobicContact CB-CZ 4.02Å; E783-F822 HydrophobicContact CG-CZ 3.75Å; E783-F822 WeakPolarHBondContact OE2-CZ 3.34Å; E783-R857 IonicContact OE1-CZ 3.59Å; E783-R857 IonicContact OE1-NH2 2.72Å; E783-R857 PolarHBondContact OE1-NH2 3.47Å; E783-R857 IonicContact OE2-CZ 3.78Å; E783-R857 IonicContact OE2-NH1 3.76Å; E783-R857 IonicContact OE2-NH2 2.74Å; E783-R857 PolarHBondContact OE2-NH2 3.36Å
784	H	95.6	Very high	93.9	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	14%	0.141	C	C	.	.			trans	-62.7	122.9	178.5	-169.9	-72.2	0	0	0	109.8	R745 D749 A779 A782 L786 C787 V788	R745-H784 HydrophobicContact CG-CB 4.26Å; D749-H784 IonicContact OD1-CE1 3.48Å; D749-H784 IonicContact OD1-NE2 3.15Å; D749-H784 PolarHBondContact OD1-NE2 2.9Å; A779-H784 HydrophobicContact CB-CB 4.03Å; A779-H784 VanDerWaalsContact O-CB 3.3Å; A779-H784 WeakPolarHBondContact O-CB 3.32Å; A779-H784 PolarHBondContact O-N 3.23Å; A782-H784 PolarHBondContact O-N 2.56Å; A782-H784 VanDerWaalsContact O-N 3.09Å; H784-L786 VanDerWaalsContact C-N 3.29Å; H784-L786 PolarHBondContact ND1-N 3.41Å; H784-L786 PolarHBondContact O-N 2.72Å; H784-L786 VanDerWaalsContact O-N 3.12Å; H784-C787 HydrophobicContact CB-CB 4.43Å; H784-C787 WeakPolarHBondContact O-CA 3.13Å; H784-C787 WeakPolarHBondContact O-CB 3.35Å; H784-C787 PolarHBondContact O-N 3.2Å; H784-V788 PolarHBondContact O-N 3.33Å
785	H	95.1	Very high	94.4	Very high	90 Å²	90	28 Å²	28	42%	0.417	14%	0.137	S	C	.	.	H	α-helix	trans	-49.1	-43.8	-174.1	68.8	-75.3	0	0	0	113.7	E783 C787 V788 N789	E783-H785 PolarHBondContact O-N 2.8Å; H785-C787 PolarHBondContact O-N 3.24Å; H785-V788 PolarHBondContact O-N 2.71Å; H785-N789 WeakPolarHBondContact O-CB 3.48Å; H785-N789 PolarHBondContact O-N 2.95Å; H785-N789 PolarHBondContact O-ND2 3.05Å
786	L	94.2	Very high	94.7	Very high	41 Å²	41	33.9 Å²	33.9	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-42.3	175.3	-68.8	177.6	0	0	0	113	I752 R753 H784 K790	I752-L786 HydrophobicContact CG2-CD1 4.24Å; R753-L786 HydrophobicContact CG-CD1 3.63Å; H784-L786 VanDerWaalsContact C-N 3.29Å; H784-L786 PolarHBondContact ND1-N 3.41Å; H784-L786 PolarHBondContact O-N 2.72Å; H784-L786 VanDerWaalsContact O-N 3.12Å; L786-K790 VanDerWaalsContact O-CB 3.26Å; L786-K790 WeakPolarHBondContact O-CB 3.3Å; L786-K790 VanDerWaalsContact O-CG 3.29Å; L786-K790 WeakPolarHBondContact O-CG 3.48Å; L786-K790 PolarHBondContact O-N 2.85Å
787	C	95.2	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-48.5	179.8	-160.1	0	0	0	0	110.9	W757 I776 A779 C780 H784 H785 T791	W757-C787 HydrophobicContact CH2-CB 4.37Å; I776-C787 VanDerWaalsContact CG2-SG 3.55Å; I776-C787 PolarHBondContact O-SG 2.86Å; A779-C787 HydrophobicContact CB-CB 3.98Å; C780-C787 VanDerWaalsContact CA-SG 3.54Å; C780-C787 HydrophobicContact CB-CB 4.19Å; C780-C787 WeakPolarHBondContact CB-SG 3.43Å; C780-C787 PolarHBondContact N-SG 3.13Å; C780-C787 WeakPolarHBondContact SG-CB 3.46Å; C780-C787 CovalentContact SG-SG 2.04Å; C780-C787 PolarHBondContact SG-SG 2.92Å; H784-C787 HydrophobicContact CB-CB 4.43Å; H784-C787 WeakPolarHBondContact O-CA 3.13Å; H784-C787 WeakPolarHBondContact O-CB 3.35Å; H784-C787 PolarHBondContact O-N 3.2Å; H785-C787 PolarHBondContact O-N 3.24Å; C787-T791 WeakPolarHBondContact O-CB 3.45Å; C787-T791 WeakPolarHBondContact O-CG2 3.44Å; C787-T791 PolarHBondContact O-N 3.22Å; C787-T791 PolarHBondContact O-OG1 3.03Å
788	V	96.6	Very high	95	Very high	15 Å²	15	36 Å²	36	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-49.4	179.8	179.2	0	0	0	0	110.8	H784 H785 T791 T792 T818 F822	H784-V788 PolarHBondContact O-N 3.33Å; H785-V788 PolarHBondContact O-N 2.71Å; V788-T791 PolarHBondContact O-OG1 2.92Å; V788-T792 HydrophobicContact CG1-CG2 4.31Å; V788-T792 VanDerWaalsContact O-CB 3.32Å; V788-T792 WeakPolarHBondContact O-CB 3.27Å; V788-T792 WeakPolarHBondContact O-CG2 3.17Å; V788-T792 PolarHBondContact O-N 2.96Å; V788-T792 PolarHBondContact O-OG1 3.28Å; V788-T818 HydrophobicContact CG2-CG2 4.44Å; V788-F822 HydrophobicContact CB-CE2 4.43Å; V788-F822 HydrophobicContact CG1-CB 4.35Å; V788-F822 HydrophobicContact CG1-CD1 3.92Å; V788-F822 HydrophobicContact CG1-CD2 3.78Å; V788-F822 HydrophobicContact CG1-CE1 4.1Å; V788-F822 HydrophobicContact CG1-CE2 3.98Å; V788-F822 HydrophobicContact CG1-CG 3.75Å; V788-F822 HydrophobicContact CG1-CZ 4.12Å; V788-F822 HydrophobicContact CG2-CD2 4.2Å; V788-F822 HydrophobicContact CG2-CE1 4.29Å; V788-F822 HydrophobicContact CG2-CE2 3.58Å; V788-F822 HydrophobicContact CG2-CZ 3.62Å
789	N	96.1	Very high	95.2	Very high	95 Å²	95	37.5 Å²	37.5	51%	0.508	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-48.1	-179.1	-70.3	-11.4	0	0	0	111.4	H785 T792 E793	H785-N789 WeakPolarHBondContact O-CB 3.48Å; H785-N789 PolarHBondContact O-N 2.95Å; H785-N789 PolarHBondContact O-ND2 3.05Å; N789-T792 PolarHBondContact O-OG1 2.95Å; N789-T792 VanDerWaalsContact O-OG1 3.14Å; N789-E793 WeakPolarHBondContact O-CB 3.46Å; N789-E793 PolarHBondContact O-N 3.33Å
790	K	93.4	Very high	95.3	Very high	78 Å²	78	42.2 Å²	42.2	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-43.6	-177.8	-73	-71.4	167.8	-157	0	113.1	W757 L786 E793 L794	W757-K790 HydrophobicContact CB-CD 4.47Å; W757-K790 HydrophobicContact CD2-CB 3.98Å; W757-K790 HydrophobicContact CD2-CD 4.43Å; W757-K790 HydrophobicContact CD2-CG 3.86Å; W757-K790 HydrophobicContact CE3-CB 3.42Å; W757-K790 VanDerWaalsContact CE3-CB 3.42Å; W757-K790 HydrophobicContact CE3-CD 4.49Å; W757-K790 HydrophobicContact CE3-CG 3.85Å; W757-K790 HydrophobicContact CG-CD 4.43Å; W757-K790 HydrophobicContact CG-CG 4.29Å; W757-K790 HydrophobicContact CH2-CB 4.12Å; W757-K790 HydrophobicContact CZ3-CB 3.52Å; W757-K790 HydrophobicContact CZ3-CG 4.26Å; L786-K790 VanDerWaalsContact O-CB 3.26Å; L786-K790 WeakPolarHBondContact O-CB 3.3Å; L786-K790 VanDerWaalsContact O-CG 3.29Å; L786-K790 WeakPolarHBondContact O-CG 3.48Å; L786-K790 PolarHBondContact O-N 2.85Å; K790-E793 IonicContact NZ-OE2 3.89Å; K790-E793 PolarHBondContact NZ-OE2 3.04Å; K790-E793 VanDerWaalsContact NZ-OE2 3.13Å; K790-E793 PolarHBondContact O-N 3.24Å; K790-L794 WeakPolarHBondContact O-CD1 3.41Å; K790-L794 VanDerWaalsContact O-CG 3.27Å; K790-L794 WeakPolarHBondContact O-CG 3.44Å; K790-L794 PolarHBondContact O-N 3.2Å; K790-L794 VanDerWaalsContact O-N 3.16Å
791	T	94.1	Very high	95.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-43.1	179	53.2	0	0	0	0	112.2	C787 V788 E793 L794 F795 T815 T818	C787-T791 WeakPolarHBondContact O-CB 3.45Å; C787-T791 WeakPolarHBondContact O-CG2 3.44Å; C787-T791 PolarHBondContact O-N 3.22Å; C787-T791 PolarHBondContact O-OG1 3.03Å; V788-T791 PolarHBondContact O-OG1 2.92Å; T791-E793 VanDerWaalsContact C-N 3.35Å; T791-E793 PolarHBondContact O-N 3.07Å; T791-L794 PolarHBondContact O-N 3.21Å; T791-F795 PolarHBondContact O-N 2.8Å; T791-F795 VanDerWaalsContact O-N 3.09Å; T791-T815 VanDerWaalsContact O-CG2 3.23Å; T791-T815 WeakPolarHBondContact O-CG2 3.41Å; T791-T818 WeakPolarHBondContact OG1-CG2 3.48Å
792	T	96.4	Very high	95.3	Very high	23 Å²	23	49 Å²	49	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-33.7	177	58.6	0	0	0	0	112.4	V788 N789 F795 K796 F822	V788-T792 HydrophobicContact CG1-CG2 4.31Å; V788-T792 VanDerWaalsContact O-CB 3.32Å; V788-T792 WeakPolarHBondContact O-CB 3.27Å; V788-T792 WeakPolarHBondContact O-CG2 3.17Å; V788-T792 PolarHBondContact O-N 2.96Å; V788-T792 PolarHBondContact O-OG1 3.28Å; N789-T792 PolarHBondContact O-OG1 2.95Å; N789-T792 VanDerWaalsContact O-OG1 3.14Å; T792-F795 PolarHBondContact O-N 2.71Å; T792-K796 WeakPolarHBondContact O-CB 3.35Å; T792-K796 VanDerWaalsContact O-CG 3.29Å; T792-K796 WeakPolarHBondContact O-CG 3.31Å; T792-K796 PolarHBondContact O-N 3.04Å; T792-F822 HydrophobicContact CG2-CB 4.3Å
793	E	95.3	Very high	95.1	Very high	89 Å²	89	58.7 Å²	58.7	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-50.1	173.9	-175.3	-175.8	-178.7	0	0	111.4	N789 K790 T791 F795 K796 Q797	N789-E793 WeakPolarHBondContact O-CB 3.46Å; N789-E793 PolarHBondContact O-N 3.33Å; K790-E793 IonicContact NZ-OE2 3.89Å; K790-E793 PolarHBondContact NZ-OE2 3.04Å; K790-E793 VanDerWaalsContact NZ-OE2 3.13Å; K790-E793 PolarHBondContact O-N 3.24Å; T791-E793 VanDerWaalsContact C-N 3.35Å; T791-E793 PolarHBondContact O-N 3.07Å; E793-F795 VanDerWaalsContact C-N 3.32Å; E793-F795 PolarHBondContact O-N 2.86Å; E793-K796 WeakPolarHBondContact O-CB 3.02Å; E793-K796 PolarHBondContact O-N 3.23Å; E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 2.99Å
794	L	93.4	Very high	94.7	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-39.3	177.9	-63.3	156.7	0	0	0	112.5	F759 K790 T791 K796 Q797 W798 I807 T815	F759-L794 HydrophobicContact CD1-CD1 4.24Å; F759-L794 HydrophobicContact CD2-CD1 3.44Å; F759-L794 VanDerWaalsContact CD2-CD1 3.44Å; F759-L794 HydrophobicContact CD2-CD2 3.5Å; F759-L794 HydrophobicContact CD2-CG 4.05Å; F759-L794 HydrophobicContact CE1-CD1 3.8Å; F759-L794 HydrophobicContact CE2-CD1 2.99Å; F759-L794 HydrophobicContact CE2-CD2 3.87Å; F759-L794 HydrophobicContact CE2-CG 3.92Å; F759-L794 HydrophobicContact CG-CD1 4.1Å; F759-L794 HydrophobicContact CG-CD2 4.24Å; F759-L794 HydrophobicContact CZ-CD1 3.17Å; F759-L794 HydrophobicContact CZ-CG 4.48Å; K790-L794 WeakPolarHBondContact O-CD1 3.41Å; K790-L794 VanDerWaalsContact O-CG 3.27Å; K790-L794 WeakPolarHBondContact O-CG 3.44Å; K790-L794 PolarHBondContact O-N 3.2Å; K790-L794 VanDerWaalsContact O-N 3.16Å; T791-L794 PolarHBondContact O-N 3.21Å; L794-K796 VanDerWaalsContact C-N 3.31Å; L794-Q797 WeakPolarHBondContact O-CB 3.25Å; L794-Q797 PolarHBondContact O-N 2.85Å; L794-W798 PolarHBondContact O-N 3.49Å; L794-I807 HydrophobicContact CB-CD1 4.4Å; L794-I807 HydrophobicContact CB-CG1 3.86Å; L794-T815 HydrophobicContact CB-CG2 4.23Å; L794-T815 HydrophobicContact CD1-CG2 4.46Å
795	F	96.9	Very high	94.4	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-41	177.1	-167.5	-94.2	0	0	0	111	T791 T792 E793 W798 M799 T815 Y816 A819 I820 E827 F830 L831	T791-F795 PolarHBondContact O-N 2.8Å; T791-F795 VanDerWaalsContact O-N 3.09Å; T792-F795 PolarHBondContact O-N 2.71Å; E793-F795 VanDerWaalsContact C-N 3.32Å; E793-F795 PolarHBondContact O-N 2.86Å; F795-W798 HydrophobicContact CD2-CE3 4.15Å; F795-W798 HydrophobicContact CE2-CE3 4.02Å; F795-W798 AromaticContact CE2-CZ3 4Å; F795-W798 HydrophobicContact CE2-CZ3 4Å; F795-W798 WeakPolarHBondContact O-CB 3.37Å; F795-W798 PolarHBondContact O-N 2.86Å; F795-M799 HydrophobicContact CD1-CG 4.04Å; F795-M799 HydrophobicContact CD1-SD 3.6Å; F795-M799 HydrophobicContact CE1-CG 3.94Å; F795-M799 HydrophobicContact CE1-SD 3.55Å; F795-M799 VanDerWaalsContact CE1-SD 3.55Å; F795-M799 VanDerWaalsContact O-CG 3.3Å; F795-M799 WeakPolarHBondContact O-CG 3.33Å; F795-M799 PolarHBondContact O-N 3Å; F795-T815 HydrophobicContact CB-CG2 4.39Å; F795-Y816 AromaticContact CD2-CD1 3.9Å; F795-Y816 HydrophobicContact CD2-CD1 3.9Å; F795-Y816 AromaticContact CE2-CD1 3.86Å; F795-Y816 HydrophobicContact CE2-CD1 3.86Å; F795-Y816 HydrophobicContact CE2-CG 4.49Å; F795-A819 HydrophobicContact CB-CB 3.51Å; F795-A819 HydrophobicContact CD1-CB 3.61Å; F795-A819 HydrophobicContact CD2-CB 3.72Å; F795-A819 HydrophobicContact CE1-CB 4.21Å; F795-A819 HydrophobicContact CE2-CB 4.31Å; F795-A819 HydrophobicContact CG-CB 3.31Å; F795-I820 HydrophobicContact CZ-CD1 4.4Å; F795-E827 HydrophobicContact CD1-CG 4.33Å; F795-E827 HydrophobicContact CE1-CB 3.83Å; F795-E827 HydrophobicContact CE1-CG 4.07Å; F795-F830 AromaticContact CE1-CD1 3.86Å; F795-F830 HydrophobicContact CE1-CD1 3.86Å; F795-F830 HydrophobicContact CE1-CE1 4.43Å; F795-F830 HydrophobicContact CE2-CD1 4.44Å; F795-F830 AromaticContact CZ-CD1 3.65Å; F795-F830 HydrophobicContact CZ-CD1 3.65Å; F795-F830 HydrophobicContact CZ-CE1 4.14Å; F795-L831 HydrophobicContact CE2-CD1 4.22Å; F795-L831 HydrophobicContact CZ-CB 4.12Å
796	K	96.9	Very high	94.1	Very high	128 Å²	128	59.1 Å²	59.1	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-64.5	-38.8	173.3	-73.9	171.1	-178.2	174.3	0	112.4	T792 E793 L794 W798 M799 S800	T792-K796 WeakPolarHBondContact O-CB 3.35Å; T792-K796 VanDerWaalsContact O-CG 3.29Å; T792-K796 WeakPolarHBondContact O-CG 3.31Å; T792-K796 PolarHBondContact O-N 3.04Å; E793-K796 WeakPolarHBondContact O-CB 3.02Å; E793-K796 PolarHBondContact O-N 3.23Å; L794-K796 VanDerWaalsContact C-N 3.31Å; K796-W798 VanDerWaalsContact C-N 3.34Å; K796-M799 WeakPolarHBondContact O-CB 3.49Å; K796-M799 PolarHBondContact O-N 2.94Å; K796-S800 PolarHBondContact O-N 3.04Å
797	Q	95.3	Very high	93.9	Very high	82 Å²	82	57.2 Å²	57.2	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-46	172.8	-70.2	172.4	12.8	0	0	110.6	E793 L794 M799 S800 E801 P806	E793-Q797 WeakPolarHBondContact O-CG 3.2Å; E793-Q797 PolarHBondContact O-N 2.99Å; L794-Q797 WeakPolarHBondContact O-CB 3.25Å; L794-Q797 PolarHBondContact O-N 2.85Å; Q797-M799 VanDerWaalsContact C-N 3.34Å; Q797-M799 PolarHBondContact O-N 3.34Å; Q797-S800 PolarHBondContact O-N 2.93Å; Q797-S800 PolarHBondContact O-OG 3.43Å; Q797-E801 PolarHBondContact O-N 3.06Å; Q797-E801 VanDerWaalsContact O-N 3.09Å; Q797-P806 HydrophobicContact CB-CG 4.21Å
798	W	95.9	Very high	93.3	Very high	6 Å²	6	59.1 Å²	59.1	2%	0.023	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-40.5	174.4	-173	25.3	0	0	0	112.8	L794 F795 K796 S800 E801 P802 N805 P806 I807 Y816 F830 L831 Q834	L794-W798 PolarHBondContact O-N 3.49Å; F795-W798 HydrophobicContact CD2-CE3 4.15Å; F795-W798 HydrophobicContact CE2-CE3 4.02Å; F795-W798 AromaticContact CE2-CZ3 4Å; F795-W798 HydrophobicContact CE2-CZ3 4Å; F795-W798 WeakPolarHBondContact O-CB 3.37Å; F795-W798 PolarHBondContact O-N 2.86Å; K796-W798 VanDerWaalsContact C-N 3.34Å; W798-S800 PolarHBondContact O-N 3.37Å; W798-E801 CarbonylContact O-C 3.57Å; W798-E801 PolarHBondContact O-N 2.97Å; W798-P802 PolarHBondContact NE1-O 3.05Å; W798-P802 VanDerWaalsContact NE1-O 3.13Å; W798-P802 VanDerWaalsContact O-CA 3.31Å; W798-P802 WeakPolarHBondContact O-CA 3.41Å; W798-P802 VanDerWaalsContact O-N 3.13Å; W798-N805 HydrophobicContact CD2-CB 4.4Å; W798-N805 HydrophobicContact CG-CB 4.4Å; W798-P806 HydrophobicContact CB-CG 4.21Å; W798-I807 HydrophobicContact CE3-CD1 4.24Å; W798-Y816 HydrophobicContact CE3-CD1 4.43Å; W798-Y816 AromaticContact CE3-CE1 3.74Å; W798-Y816 HydrophobicContact CE3-CE1 3.74Å; W798-Y816 HydrophobicContact CH2-CE1 4.14Å; W798-Y816 AromaticContact CH2-CZ 3.99Å; W798-Y816 AromaticContact CZ3-CD1 3.98Å; W798-Y816 HydrophobicContact CZ3-CD1 3.98Å; W798-Y816 AromaticContact CZ3-CE1 3.3Å; W798-Y816 HydrophobicContact CZ3-CE1 3.3Å; W798-Y816 AromaticContact CZ3-CZ 3.61Å; W798-F830 AromaticContact CD2-CE1 3.74Å; W798-F830 HydrophobicContact CD2-CE1 3.74Å; W798-F830 AromaticContact CD2-CZ 3.85Å; W798-F830 HydrophobicContact CD2-CZ 3.85Å; W798-F830 AromaticContact CE2-CZ 3.96Å; W798-F830 AromaticContact CE3-CE1 3.6Å; W798-F830 HydrophobicContact CE3-CE1 3.6Å; W798-F830 HydrophobicContact CE3-CZ 4.2Å; W798-F830 HydrophobicContact CG-CE1 4.26Å; W798-F830 HydrophobicContact CG-CZ 4.1Å; W798-F830 HydrophobicContact CH2-CE1 4.33Å; W798-F830 HydrophobicContact CZ2-CE1 4.45Å; W798-F830 HydrophobicContact CZ2-CZ 4.41Å; W798-F830 AromaticContact CZ3-CE1 3.9Å; W798-F830 HydrophobicContact CZ3-CE1 3.9Å; W798-L831 HydrophobicContact CH2-CD1 4.2Å; W798-L831 HydrophobicContact CZ3-CD1 3.93Å; W798-Q834 HydrophobicContact CH2-CB 3.85Å; W798-Q834 HydrophobicContact CH2-CG 3.7Å; W798-Q834 HydrophobicContact CZ2-CB 3.93Å; W798-Q834 HydrophobicContact CZ2-CG 3.57Å
799	M	97.7	Very high	92.8	Very high	34 Å²	34	59.1 Å²	59.1	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-31.1	173.9	-71	174	77	0	0	112.8	F795 K796 Q797 K826 E827 F830	F795-M799 HydrophobicContact CD1-CG 4.04Å; F795-M799 HydrophobicContact CD1-SD 3.6Å; F795-M799 HydrophobicContact CE1-CG 3.94Å; F795-M799 HydrophobicContact CE1-SD 3.55Å; F795-M799 VanDerWaalsContact CE1-SD 3.55Å; F795-M799 VanDerWaalsContact O-CG 3.3Å; F795-M799 WeakPolarHBondContact O-CG 3.33Å; F795-M799 PolarHBondContact O-N 3Å; K796-M799 WeakPolarHBondContact O-CB 3.49Å; K796-M799 PolarHBondContact O-N 2.94Å; Q797-M799 VanDerWaalsContact C-N 3.34Å; Q797-M799 PolarHBondContact O-N 3.34Å; M799-K826 HydrophobicContact CE-CD 4.06Å; M799-K826 HydrophobicContact CE-CG 3.86Å; M799-E827 HydrophobicContact CE-CG 4.42Å; M799-E827 HydrophobicContact SD-CG 4.09Å; M799-F830 HydrophobicContact CB-CD1 4.48Å; M799-F830 HydrophobicContact CB-CD2 4.5Å; M799-F830 HydrophobicContact CB-CE1 4.37Å; M799-F830 HydrophobicContact CB-CE2 4.41Å; M799-F830 HydrophobicContact CB-CZ 4.34Å; M799-F830 HydrophobicContact CE-CB 4.02Å; M799-F830 HydrophobicContact CE-CG 4.31Å; M799-F830 HydrophobicContact CG-CB 4.3Å; M799-F830 HydrophobicContact CG-CD1 3.35Å; M799-F830 HydrophobicContact CG-CD2 4.03Å; M799-F830 HydrophobicContact CG-CE1 3.51Å; M799-F830 HydrophobicContact CG-CE2 4.19Å; M799-F830 HydrophobicContact CG-CG 3.61Å; M799-F830 HydrophobicContact CG-CZ 3.95Å; M799-F830 HydrophobicContact SD-CD1 4.34Å
800	S	96.6	Very high	92.3	Very high	100 Å²	100	55.3 Å²	55.3	70%	0.699	28%	0.281	S	S	*	.	H	α-helix	trans	-78.1	-29.1	177.5	73.1	0	0	0	0	113.4	K796 Q797 W798	K796-S800 PolarHBondContact O-N 3.04Å; Q797-S800 PolarHBondContact O-N 2.93Å; Q797-S800 PolarHBondContact O-OG 3.43Å; W798-S800 PolarHBondContact O-N 3.37Å
801	E	94.6	Very high	92	Very high	115 Å²	115	51.8 Å²	51.8	54%	0.537	27%	0.266	S	S	.	.	S	Bend	trans	-131.8	77.1	174.6	-169	172.9	-152.5	0	0	111.2	Q797 W798 K803 T804	Q797-E801 PolarHBondContact O-N 3.06Å; Q797-E801 VanDerWaalsContact O-N 3.09Å; W798-E801 CarbonylContact O-C 3.57Å; W798-E801 PolarHBondContact O-N 2.97Å; E801-K803 PolarHBondContact O-N 3.3Å; E801-T804 PolarHBondContact O-N 3.31Å; E801-T804 VanDerWaalsContact O-N 3.1Å
802	P	92.9	Very high	91.9	Very high	57 Å²	57	53 Å²	53	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.9	-171	-26.4	36	0	0	0	114.6	W798 T804 F830	W798-P802 PolarHBondContact NE1-O 3.05Å; W798-P802 VanDerWaalsContact NE1-O 3.13Å; W798-P802 VanDerWaalsContact O-CA 3.31Å; W798-P802 WeakPolarHBondContact O-CA 3.41Å; W798-P802 VanDerWaalsContact O-N 3.13Å; P802-T804 VanDerWaalsContact C-N 3.31Å; P802-T804 PolarHBondContact O-N 3.36Å; P802-F830 HydrophobicContact CB-CE2 3.99Å; P802-F830 HydrophobicContact CB-CZ 4.36Å; P802-F830 HydrophobicContact CG-CE2 3.89Å
803	K	89.6	Confident	91.8	Very high	204 Å²	204	52.9 Å²	52.9	89%	0.887	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.9	-179.6	-65.7	-174.4	179.6	-178.9	0	113.2	E801	E801-K803 PolarHBondContact O-N 3.3Å
804	T	88	Confident	91.7	Very high	78 Å²	78	49.1 Å²	49.1	48%	0.479	25%	0.251	S	S	.	.	S	Bend	trans	-122.3	105	-177.1	-52.3	0	0	0	0	107.8	E801 P802 P806	E801-T804 PolarHBondContact O-N 3.31Å; E801-T804 VanDerWaalsContact O-N 3.1Å; P802-T804 VanDerWaalsContact C-N 3.31Å; P802-T804 PolarHBondContact O-N 3.36Å; T804-P806 WeakPolarHBondContact O-CD 3.44Å
805	N	89.4	Confident	91.8	Very high	35 Å²	35	48.5 Å²	48.5	19%	0.187	25%	0.248	C	C	.	.			trans	-80.4	107.2	176.5	-172.6	-11.4	0	0	0	109.8	W798 I807 R812 Y816	W798-N805 HydrophobicContact CD2-CB 4.4Å; W798-N805 HydrophobicContact CG-CB 4.4Å; N805-I807 PolarHBondContact O-N 2.79Å; N805-I807 VanDerWaalsContact OD1-CB 3.29Å; N805-I807 WeakPolarHBondContact OD1-CB 3.47Å; N805-I807 PolarHBondContact OD1-N 2.81Å; N805-R812 PolarHBondContact ND2-NE 3.32Å; N805-Y816 PolarHBondContact ND2-OH 3.48Å
806	P	88.3	Confident	91.8	Very high	43 Å²	43	48.4 Å²	48.4	28%	0.279	25%	0.247	S	C	.	.			trans	-73.2	-7.8	-178.6	34.7	-36.5	0	0	0	112.4	Q797 W798 T804	Q797-P806 HydrophobicContact CB-CG 4.21Å; W798-P806 HydrophobicContact CB-CG 4.21Å; T804-P806 WeakPolarHBondContact O-CD 3.44Å
807	I	89.5	Confident	91.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-87	120.2	-176.2	-53.8	157.2	0	0	0	109.1	L794 W798 N805 M811 R812 T815 Y816	L794-I807 HydrophobicContact CB-CD1 4.4Å; L794-I807 HydrophobicContact CB-CG1 3.86Å; W798-I807 HydrophobicContact CE3-CD1 4.24Å; N805-I807 PolarHBondContact O-N 2.79Å; N805-I807 VanDerWaalsContact OD1-CB 3.29Å; N805-I807 WeakPolarHBondContact OD1-CB 3.47Å; N805-I807 PolarHBondContact OD1-N 2.81Å; I807-M811 HydrophobicContact CG2-CB 4.32Å; I807-R812 HydrophobicContact CB-CG 4.08Å; I807-R812 HydrophobicContact CG2-CB 4.38Å; I807-R812 HydrophobicContact CG2-CG 3.74Å; I807-R812 PolarHBondContact O-NE 3.35Å; I807-T815 HydrophobicContact CD1-CG2 3.5Å; I807-T815 HydrophobicContact CG1-CG2 3.97Å; I807-T815 HydrophobicContact CG2-CG2 4.2Å; I807-Y816 HydrophobicContact CD1-CD1 4.16Å; I807-Y816 HydrophobicContact CD1-CE1 3.72Å
808	R	83.3	Confident	92	Very high	40 Å²	40	39 Å²	39	15%	0.151	21%	0.207	C	C	.	.			trans	-57	138.3	175.4	-172	176.5	60.8	108.6	-5.5	111.8	F759 M769 D810 M811 R812	F759-R808 HydrophobicContact CB-CB 4.44Å; F759-R808 HydrophobicContact CD1-CB 4.38Å; M769-R808 VanDerWaalsContact CE-NH2 3.31Å; M769-R808 PolarHBondContact SD-NH1 3.42Å; M769-R808 PolarHBondContact SD-NH2 3.21Å; R808-D810 VanDerWaalsContact C-N 3.3Å; R808-D810 IonicContact CZ-OD2 3.7Å; R808-D810 IonicContact NE-OD2 3.78Å; R808-D810 IonicContact NH1-OD1 2.75Å; R808-D810 IonicContact NH1-OD2 2.87Å; R808-D810 PolarHBondContact NH1-OD2 3.23Å; R808-D810 PolarHBondContact O-N 3.35Å; R808-D810 VanDerWaalsContact O-N 3.08Å; R808-M811 PolarHBondContact O-N 3.38Å; R808-R812 WeakPolarHBondContact O-CG 3.48Å; R808-R812 PolarHBondContact O-N 2.96Å
809	P	85.6	Confident	92	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.091	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-45	-42.9	-176.7	-34.4	37.1	0	0	0	117	N395 G396 M811 R812 K848	N395-P809 VanDerWaalsContact O-CB 3.25Å; N395-P809 WeakPolarHBondContact O-CB 3.48Å; N395-P809 VanDerWaalsContact O-CG 3.28Å; N395-P809 WeakPolarHBondContact O-CG 3.33Å; G396-P809 WeakPolarHBondContact O-CB 3.23Å; P809-M811 VanDerWaalsContact C-N 3.27Å; P809-M811 PolarHBondContact O-N 2.77Å; P809-R812 PolarHBondContact O-N 3.21Å; P809-K848 PolarHBondContact O-NZ 3.42Å
810	D	84.7	Confident	92.1	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.08	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64	-30.7	179.7	-54.1	-108.7	0	0	0	113.8	S397 I398 A399 Y773 R808	S397-D810 PolarHBondContact OG-OD1 3.05Å; I398-D810 VanDerWaalsContact CG2-OD1 3.28Å; I398-D810 WeakPolarHBondContact CG2-OD1 3.21Å; I398-D810 VanDerWaalsContact N-CG 3.31Å; I398-D810 PolarHBondContact N-OD1 2.87Å; I398-D810 PolarHBondContact N-OD2 3Å; A399-D810 PolarHBondContact N-OD1 2.95Å; Y773-D810 WeakPolarHBondContact CD2-O 3.43Å; Y773-D810 WeakPolarHBondContact CE2-O 3.33Å; R808-D810 VanDerWaalsContact C-N 3.3Å; R808-D810 IonicContact CZ-OD2 3.7Å; R808-D810 IonicContact NE-OD2 3.78Å; R808-D810 IonicContact NH1-OD1 2.75Å; R808-D810 IonicContact NH1-OD2 2.87Å; R808-D810 PolarHBondContact NH1-OD2 3.23Å; R808-D810 PolarHBondContact O-N 3.35Å; R808-D810 VanDerWaalsContact O-N 3.08Å
811	M	88.6	Confident	92.1	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.025	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-99.1	-6.9	-172.9	-63.8	-62.8	178.1	0	0	112.5	F759 Y773 I776 I807 R808 P809 L813 I814 T815	F759-M811 HydrophobicContact CD1-CB 4.1Å; F759-M811 HydrophobicContact CD1-CG 4.19Å; F759-M811 HydrophobicContact CE1-CB 3.74Å; F759-M811 HydrophobicContact CE1-CG 3.83Å; Y773-M811 HydrophobicContact CD2-SD 4.47Å; I776-M811 HydrophobicContact CD1-CE 3.57Å; I776-M811 HydrophobicContact CD1-SD 3.82Å; I807-M811 HydrophobicContact CG2-CB 4.32Å; R808-M811 PolarHBondContact O-N 3.38Å; P809-M811 VanDerWaalsContact C-N 3.27Å; P809-M811 PolarHBondContact O-N 2.77Å; M811-L813 PolarHBondContact O-N 3.42Å; M811-I814 PolarHBondContact O-N 3.15Å; M811-I814 HydrophobicContact SD-CD1 4.36Å; M811-T815 VanDerWaalsContact O-CB 3.28Å; M811-T815 WeakPolarHBondContact O-CB 3.32Å; M811-T815 PolarHBondContact O-N 2.94Å; M811-T815 PolarHBondContact O-OG1 3.13Å
812	R	91.5	Very high	92.1	Very high	25 Å²	25	33.2 Å²	33.2	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-56.1	-52.1	-177.9	-76.4	178.8	-174.6	169.8	0.2	112.3	N805 I807 R808 P809 I814 T815 Y816 E845 K848	N805-R812 PolarHBondContact ND2-NE 3.32Å; I807-R812 HydrophobicContact CB-CG 4.08Å; I807-R812 HydrophobicContact CG2-CB 4.38Å; I807-R812 HydrophobicContact CG2-CG 3.74Å; I807-R812 PolarHBondContact O-NE 3.35Å; R808-R812 WeakPolarHBondContact O-CG 3.48Å; R808-R812 PolarHBondContact O-N 2.96Å; P809-R812 PolarHBondContact O-N 3.21Å; R812-I814 PolarHBondContact O-N 2.63Å; R812-T815 PolarHBondContact O-N 3.22Å; R812-T815 VanDerWaalsContact O-N 3.15Å; R812-Y816 HydrophobicContact CB-CD2 4.3Å; R812-Y816 HydrophobicContact CB-CE1 4.11Å; R812-Y816 HydrophobicContact CB-CE2 3.71Å; R812-Y816 VanDerWaalsContact CD-OH 3.27Å; R812-Y816 WeakPolarHBondContact CD-OH 3.36Å; R812-Y816 HydrophobicContact CG-CE1 4.21Å; R812-Y816 HydrophobicContact CG-CE2 4.32Å; R812-Y816 WeakPolarHBondContact CG-OH 3.32Å; R812-Y816 VanDerWaalsContact O-CB 3.31Å; R812-Y816 WeakPolarHBondContact O-CB 3.19Å; R812-Y816 VanDerWaalsContact O-CD1 3.26Å; R812-Y816 WeakPolarHBondContact O-CD1 3.5Å; R812-Y816 WeakPolarHBondContact O-CD2 3.19Å; R812-Y816 PolarHBondContact O-N 3.49Å; R812-E845 WeakPolarHBondContact CD-OE1 3.32Å; R812-E845 WeakPolarHBondContact CD-OE2 3.25Å; R812-E845 IonicContact CZ-OE2 3.07Å; R812-E845 IonicContact NE-OE2 2.77Å; R812-E845 VanDerWaalsContact NH1-CD 3.29Å; R812-E845 IonicContact NH1-OE1 3.82Å; R812-E845 IonicContact NH1-OE2 3.74Å; R812-E845 PolarHBondContact NH1-OE2 2.84Å; R812-K848 HydrophobicContact CB-CD 4.38Å
813	L	93.2	Very high	92.3	Very high	22 Å²	22	32 Å²	32	12%	0.115	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-44.6	-178.4	-178.6	54.5	0	0	0	112.8	M811 C817 K848 L851 A852 Y881	M811-L813 PolarHBondContact O-N 3.42Å; L813-C817 WeakPolarHBondContact O-CB 3.35Å; L813-C817 PolarHBondContact O-N 3.36Å; L813-K848 HydrophobicContact CB-CB 4.4Å; L813-K848 HydrophobicContact CB-CG 4.26Å; L813-K848 WeakPolarHBondContact CD1-O 3.49Å; L813-L851 HydrophobicContact CD1-CB 3.86Å; L813-L851 HydrophobicContact CD2-CD1 4.4Å; L813-A852 HydrophobicContact CD1-CB 4.2Å; L813-Y881 HydrophobicContact CD1-CE1 4.39Å; L813-Y881 VanDerWaalsContact CD2-OH 3.22Å; L813-Y881 WeakPolarHBondContact CD2-OH 3.18Å
814	I	94.4	Very high	92.5	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-46.4	176.3	-63.5	169.7	0	0	0	110	Y773 I776 K777 C780 M811 R812 C817 T818	Y773-I814 HydrophobicContact CD1-CD1 4.3Å; Y773-I814 HydrophobicContact CD2-CD1 3.4Å; Y773-I814 HydrophobicContact CD2-CG1 4.22Å; Y773-I814 HydrophobicContact CE1-CD1 4.24Å; Y773-I814 HydrophobicContact CE2-CD1 3.33Å; Y773-I814 HydrophobicContact CE2-CG1 3.66Å; Y773-I814 HydrophobicContact CG-CD1 3.89Å; I776-I814 HydrophobicContact CG2-CD1 4.38Å; I776-I814 HydrophobicContact CG2-CG2 4.01Å; K777-I814 HydrophobicContact CB-CD1 3.82Å; K777-I814 HydrophobicContact CB-CG1 4.36Å; C780-I814 HydrophobicContact CB-CG2 4.31Å; M811-I814 PolarHBondContact O-N 3.15Å; M811-I814 HydrophobicContact SD-CD1 4.36Å; R812-I814 PolarHBondContact O-N 2.63Å; I814-C817 PolarHBondContact O-N 3.03Å; I814-T818 WeakPolarHBondContact O-CB 3.44Å; I814-T818 PolarHBondContact O-N 3.32Å; I814-T818 PolarHBondContact O-OG1 3.14Å
815	T	95.5	Very high	92.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-47.4	-176.2	-56.5	0	0	0	0	111.4	T791 L794 F795 I807 M811 R812 A819	T791-T815 VanDerWaalsContact O-CG2 3.23Å; T791-T815 WeakPolarHBondContact O-CG2 3.41Å; L794-T815 HydrophobicContact CB-CG2 4.23Å; L794-T815 HydrophobicContact CD1-CG2 4.46Å; F795-T815 HydrophobicContact CB-CG2 4.39Å; I807-T815 HydrophobicContact CD1-CG2 3.5Å; I807-T815 HydrophobicContact CG1-CG2 3.97Å; I807-T815 HydrophobicContact CG2-CG2 4.2Å; M811-T815 VanDerWaalsContact O-CB 3.28Å; M811-T815 WeakPolarHBondContact O-CB 3.32Å; M811-T815 PolarHBondContact O-N 2.94Å; M811-T815 PolarHBondContact O-OG1 3.13Å; R812-T815 PolarHBondContact O-N 3.22Å; R812-T815 VanDerWaalsContact O-N 3.15Å; T815-A819 VanDerWaalsContact O-CB 3.23Å; T815-A819 WeakPolarHBondContact O-CB 3.38Å; T815-A819 PolarHBondContact O-N 2.89Å
816	Y	97.4	Very high	93.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-52.2	176.1	-58.8	-12.7	0	0	0	110.2	F795 W798 N805 I807 R812 T818 A819 I820 L831 E845 K849 A852	F795-Y816 AromaticContact CD2-CD1 3.9Å; F795-Y816 HydrophobicContact CD2-CD1 3.9Å; F795-Y816 AromaticContact CE2-CD1 3.86Å; F795-Y816 HydrophobicContact CE2-CD1 3.86Å; F795-Y816 HydrophobicContact CE2-CG 4.49Å; W798-Y816 HydrophobicContact CE3-CD1 4.43Å; W798-Y816 AromaticContact CE3-CE1 3.74Å; W798-Y816 HydrophobicContact CE3-CE1 3.74Å; W798-Y816 HydrophobicContact CH2-CE1 4.14Å; W798-Y816 AromaticContact CH2-CZ 3.99Å; W798-Y816 AromaticContact CZ3-CD1 3.98Å; W798-Y816 HydrophobicContact CZ3-CD1 3.98Å; W798-Y816 AromaticContact CZ3-CE1 3.3Å; W798-Y816 HydrophobicContact CZ3-CE1 3.3Å; W798-Y816 AromaticContact CZ3-CZ 3.61Å; N805-Y816 PolarHBondContact ND2-OH 3.48Å; I807-Y816 HydrophobicContact CD1-CD1 4.16Å; I807-Y816 HydrophobicContact CD1-CE1 3.72Å; R812-Y816 HydrophobicContact CB-CD2 4.3Å; R812-Y816 HydrophobicContact CB-CE1 4.11Å; R812-Y816 HydrophobicContact CB-CE2 3.71Å; R812-Y816 VanDerWaalsContact CD-OH 3.27Å; R812-Y816 WeakPolarHBondContact CD-OH 3.36Å; R812-Y816 HydrophobicContact CG-CE1 4.21Å; R812-Y816 HydrophobicContact CG-CE2 4.32Å; R812-Y816 WeakPolarHBondContact CG-OH 3.32Å; R812-Y816 VanDerWaalsContact O-CB 3.31Å; R812-Y816 WeakPolarHBondContact O-CB 3.19Å; R812-Y816 VanDerWaalsContact O-CD1 3.26Å; R812-Y816 WeakPolarHBondContact O-CD1 3.5Å; R812-Y816 WeakPolarHBondContact O-CD2 3.19Å; R812-Y816 PolarHBondContact O-N 3.49Å; Y816-T818 VanDerWaalsContact C-N 3.34Å; Y816-T818 PolarHBondContact O-N 3.22Å; Y816-A819 PolarHBondContact O-N 3.27Å; Y816-I820 WeakPolarHBondContact O-CB 3.06Å; Y816-I820 VanDerWaalsContact O-CG1 3.27Å; Y816-I820 WeakPolarHBondContact O-CG1 3.35Å; Y816-I820 PolarHBondContact O-N 2.9Å; Y816-L831 HydrophobicContact CD1-CD1 4.36Å; Y816-L831 HydrophobicContact CD2-CD1 3.96Å; Y816-L831 HydrophobicContact CE2-CD1 4.29Å; Y816-L831 HydrophobicContact CG-CD1 3.99Å; Y816-E845 WeakPolarHBondContact CE2-OE1 3.3Å; Y816-E845 PolarHBondContact OH-OE1 3.36Å; Y816-K849 HydrophobicContact CD2-CG 4.23Å; Y816-K849 HydrophobicContact CE2-CG 3.82Å; Y816-A852 HydrophobicContact CD2-CB 4.37Å; Y816-A852 HydrophobicContact CG-CB 4.38Å
817	C	97	Very high	93.8	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-43.3	-177.6	178.6	0	0	0	0	111.9	L813 I814 I820 R821 A852 C855	L813-C817 WeakPolarHBondContact O-CB 3.35Å; L813-C817 PolarHBondContact O-N 3.36Å; I814-C817 PolarHBondContact O-N 3.03Å; C817-I820 PolarHBondContact O-N 2.86Å; C817-R821 VanDerWaalsContact O-CB 3.32Å; C817-R821 WeakPolarHBondContact O-CB 3.48Å; C817-R821 PolarHBondContact O-N 3.12Å; C817-R821 PolarHBondContact SG-NH2 3.32Å; C817-A852 HydrophobicContact CB-CB 4.27Å; C817-C855 VanDerWaalsContact CA-SG 3.59Å; C817-C855 HydrophobicContact CB-CB 3.88Å; C817-C855 WeakPolarHBondContact CB-SG 3.23Å; C817-C855 VanDerWaalsContact O-CB 3.25Å; C817-C855 WeakPolarHBondContact O-CB 3.17Å; C817-C855 WeakPolarHBondContact SG-CB 3.4Å; C817-C855 CovalentContact SG-SG 2.03Å; C817-C855 PolarHBondContact SG-SG 3.18Å
818	T	97.4	Very high	94.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-44.2	176.1	-56.8	0	0	0	0	111.3	C780 V788 T791 I814 Y816 I820 R821 F822	C780-T818 HydrophobicContact CB-CG2 4.48Å; C780-T818 WeakPolarHBondContact CB-OG1 3.01Å; C780-T818 PolarHBondContact SG-OG1 2.99Å; C780-T818 VanDerWaalsContact SG-OG1 3.36Å; V788-T818 HydrophobicContact CG2-CG2 4.44Å; T791-T818 WeakPolarHBondContact OG1-CG2 3.48Å; I814-T818 WeakPolarHBondContact O-CB 3.44Å; I814-T818 PolarHBondContact O-N 3.32Å; I814-T818 PolarHBondContact O-OG1 3.14Å; Y816-T818 VanDerWaalsContact C-N 3.34Å; Y816-T818 PolarHBondContact O-N 3.22Å; T818-I820 VanDerWaalsContact C-N 3.32Å; T818-I820 PolarHBondContact O-N 3.31Å; T818-R821 PolarHBondContact O-N 3.32Å; T818-F822 HydrophobicContact CG2-CD2 3.76Å; T818-F822 HydrophobicContact CG2-CE2 4.01Å; T818-F822 WeakPolarHBondContact O-CD2 3.36Å; T818-F822 PolarHBondContact O-N 2.98Å
819	A	97.9	Very high	94.9	Very high	3 Å²	3	33 Å²	33	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-36.3	177.7	0	0	0	0	0	113.1	F795 T815 Y816 G823	F795-A819 HydrophobicContact CB-CB 3.51Å; F795-A819 HydrophobicContact CD1-CB 3.61Å; F795-A819 HydrophobicContact CD2-CB 3.72Å; F795-A819 HydrophobicContact CE1-CB 4.21Å; F795-A819 HydrophobicContact CE2-CB 4.31Å; F795-A819 HydrophobicContact CG-CB 3.31Å; T815-A819 VanDerWaalsContact O-CB 3.23Å; T815-A819 WeakPolarHBondContact O-CB 3.38Å; T815-A819 PolarHBondContact O-N 2.89Å; Y816-A819 PolarHBondContact O-N 3.27Å; A819-G823 VanDerWaalsContact O-CA 3.25Å; A819-G823 WeakPolarHBondContact O-CA 3.46Å; A819-G823 PolarHBondContact O-N 3.43Å
820	I	98.1	Very high	95.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-70.9	-37	173.8	-65.3	-49.1	0	0	0	111.6	F795 Y816 C817 T818 E827 W828 L831 C855	F795-I820 HydrophobicContact CZ-CD1 4.4Å; Y816-I820 WeakPolarHBondContact O-CB 3.06Å; Y816-I820 VanDerWaalsContact O-CG1 3.27Å; Y816-I820 WeakPolarHBondContact O-CG1 3.35Å; Y816-I820 PolarHBondContact O-N 2.9Å; C817-I820 PolarHBondContact O-N 2.86Å; T818-I820 VanDerWaalsContact C-N 3.32Å; T818-I820 PolarHBondContact O-N 3.31Å; I820-E827 HydrophobicContact CD1-CB 4.08Å; I820-W828 HydrophobicContact CD1-CB 4.2Å; I820-L831 HydrophobicContact CD1-CB 4.14Å; I820-L831 HydrophobicContact CD1-CD2 4.01Å; I820-L831 HydrophobicContact CG1-CD2 3.69Å; I820-C855 HydrophobicContact CG2-CB 4.47Å
821	R	96.4	Very high	96.1	Very high	56 Å²	56	32.8 Å²	32.8	21%	0.211	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-40.4	178.4	-174.8	-178.5	-62.3	147.8	4.2	113.2	C780 C817 T818 C855 R857	C780-R821 PolarHBondContact O-NH1 3.32Å; C817-R821 VanDerWaalsContact O-CB 3.32Å; C817-R821 WeakPolarHBondContact O-CB 3.48Å; C817-R821 PolarHBondContact O-N 3.12Å; C817-R821 PolarHBondContact SG-NH2 3.32Å; T818-R821 PolarHBondContact O-N 3.32Å; R821-C855 VanDerWaalsContact CA-O 3.26Å; R821-C855 WeakPolarHBondContact CA-O 3.36Å; R821-C855 WeakPolarHBondContact CB-O 3.05Å; R821-R857 HydrophobicContact CG-CG 4.11Å
822	F	96.5	Very high	96.5	Very high	72 Å²	72	35.9 Å²	35.9	32%	0.316	17%	0.174	S	C	.	.	H	α-helix	trans	-100.4	-3.9	-178.1	-71.1	-85.3	0	0	0	113.9	E783 V788 T792 T818	E783-F822 HydrophobicContact CB-CZ 4.02Å; E783-F822 HydrophobicContact CG-CZ 3.75Å; E783-F822 WeakPolarHBondContact OE2-CZ 3.34Å; V788-F822 HydrophobicContact CB-CE2 4.43Å; V788-F822 HydrophobicContact CG1-CB 4.35Å; V788-F822 HydrophobicContact CG1-CD1 3.92Å; V788-F822 HydrophobicContact CG1-CD2 3.78Å; V788-F822 HydrophobicContact CG1-CE1 4.1Å; V788-F822 HydrophobicContact CG1-CE2 3.98Å; V788-F822 HydrophobicContact CG1-CG 3.75Å; V788-F822 HydrophobicContact CG1-CZ 4.12Å; V788-F822 HydrophobicContact CG2-CD2 4.2Å; V788-F822 HydrophobicContact CG2-CE1 4.29Å; V788-F822 HydrophobicContact CG2-CE2 3.58Å; V788-F822 HydrophobicContact CG2-CZ 3.62Å; T792-F822 HydrophobicContact CG2-CB 4.3Å; T818-F822 HydrophobicContact CG2-CD2 3.76Å; T818-F822 HydrophobicContact CG2-CE2 4.01Å; T818-F822 WeakPolarHBondContact O-CD2 3.36Å; T818-F822 PolarHBondContact O-N 2.98Å
823	G	95.9	Very high	96.7	Very high	31 Å²	31	38.4 Å²	38.4	32%	0.32	20%	0.195	S	C	.	.			trans	-95.4	-164.4	174.5	0	0	0	0	0	112.1	A819	A819-G823 VanDerWaalsContact O-CA 3.25Å; A819-G823 WeakPolarHBondContact O-CA 3.46Å; A819-G823 PolarHBondContact O-N 3.43Å
824	G	94.7	Very high	96.7	Very high	27 Å²	27	39.4 Å²	39.4	28%	0.278	20%	0.199	S	C	.	.			trans	-138.8	-149	175.6	0	0	0	0	0	112.4	K826 E827 W828	G824-K826 PolarHBondContact O-N 3.1Å; G824-K826 VanDerWaalsContact O-N 3.13Å; G824-E827 PolarHBondContact N-OE2 3.22Å; G824-E827 PolarHBondContact O-N 2.9Å; G824-W828 PolarHBondContact O-N 3.32Å; G824-W828 VanDerWaalsContact O-N 3.11Å
825	Q	96.6	Very high	96.5	Very high	78 Å²	78	40.1 Å²	40.1	36%	0.364	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-28.8	-175.1	-169.9	62.7	78.4	0	0	113.6	K829 I861	Q825-K829 HydrophobicContact CG-CD 4.03Å; Q825-K829 HydrophobicContact CG-CG 4.44Å; Q825-K829 VanDerWaalsContact O-CB 3.3Å; Q825-K829 WeakPolarHBondContact O-CB 3.48Å; Q825-K829 VanDerWaalsContact O-CG 3.25Å; Q825-K829 WeakPolarHBondContact O-CG 3.17Å; Q825-K829 PolarHBondContact O-N 3.01Å; Q825-I861 HydrophobicContact CB-CD1 4.32Å
826	K	97.8	Very high	95.9	Very high	151 Å²	151	45 Å²	45	66%	0.657	23%	0.227	S	C	*	.	H	α-helix	trans	-68.8	-52.9	-179.9	-174.6	-170.9	176.6	-177	0	111.1	M799 G824 W828 K829 F830	M799-K826 HydrophobicContact CE-CD 4.06Å; M799-K826 HydrophobicContact CE-CG 3.86Å; G824-K826 PolarHBondContact O-N 3.1Å; G824-K826 VanDerWaalsContact O-N 3.13Å; K826-W828 VanDerWaalsContact C-N 3.34Å; K826-W828 PolarHBondContact O-N 3.46Å; K826-K829 PolarHBondContact O-N 2.88Å; K826-F830 WeakPolarHBondContact O-CB 3.38Å; K826-F830 PolarHBondContact O-N 2.89Å
827	E	98.2	Very high	94.7	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-42.7	178.8	-67.3	69.9	-155.5	0	0	110.6	F795 M799 I820 G824 F830 L831	F795-E827 HydrophobicContact CD1-CG 4.33Å; F795-E827 HydrophobicContact CE1-CB 3.83Å; F795-E827 HydrophobicContact CE1-CG 4.07Å; M799-E827 HydrophobicContact CE-CG 4.42Å; M799-E827 HydrophobicContact SD-CG 4.09Å; I820-E827 HydrophobicContact CD1-CB 4.08Å; G824-E827 PolarHBondContact N-OE2 3.22Å; G824-E827 PolarHBondContact O-N 2.9Å; E827-F830 PolarHBondContact O-N 3.11Å; E827-L831 PolarHBondContact O-N 3.45Å
828	W	98.2	Very high	93.3	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-45.1	178.6	-167.5	94.8	0	0	0	113	I820 G824 K826 F830 L831 R832 L853 I861 H865	I820-W828 HydrophobicContact CD1-CB 4.2Å; G824-W828 PolarHBondContact O-N 3.32Å; G824-W828 VanDerWaalsContact O-N 3.11Å; K826-W828 VanDerWaalsContact C-N 3.34Å; K826-W828 PolarHBondContact O-N 3.46Å; W828-F830 VanDerWaalsContact C-N 3.3Å; W828-F830 PolarHBondContact O-N 3.38Å; W828-L831 PolarHBondContact O-N 2.79Å; W828-R832 HydrophobicContact CE3-CB 4.48Å; W828-R832 VanDerWaalsContact CH2-CD 3.49Å; W828-R832 VanDerWaalsContact CH2-NH1 3.32Å; W828-R832 HydrophobicContact CZ3-CB 4.38Å; W828-R832 VanDerWaalsContact CZ3-CD 3.41Å; W828-R832 WeakPolarHBondContact O-CB 3.4Å; W828-R832 PolarHBondContact O-N 2.94Å; W828-L853 HydrophobicContact CD2-CD2 3.89Å; W828-L853 HydrophobicContact CG-CD2 3.91Å; W828-L853 HydrophobicContact CZ2-CD2 4.23Å; W828-L853 PolarHBondContact NE1-O 2.96Å; W828-L853 VanDerWaalsContact NE1-O 3.14Å; W828-I861 HydrophobicContact CB-CD1 4.13Å; W828-I861 HydrophobicContact CB-CG2 4.45Å; W828-I861 HydrophobicContact CD2-CG2 3.62Å; W828-I861 VanDerWaalsContact CE2-CG2 3.4Å; W828-I861 HydrophobicContact CE3-CG2 4.47Å; W828-I861 HydrophobicContact CG-CD1 4.29Å; W828-I861 HydrophobicContact CG-CG2 3.57Å; W828-I861 HydrophobicContact CZ2-CG2 4.09Å; W828-H865 HydrophobicContact CZ2-CB 3.98Å
829	K	97.7	Very high	92	Very high	130 Å²	130	57 Å²	57	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-39.2	175.2	-79.7	174.2	179.1	177	0	111.5	Q825 K826 S833	Q825-K829 HydrophobicContact CG-CD 4.03Å; Q825-K829 HydrophobicContact CG-CG 4.44Å; Q825-K829 VanDerWaalsContact O-CB 3.3Å; Q825-K829 WeakPolarHBondContact O-CB 3.48Å; Q825-K829 VanDerWaalsContact O-CG 3.25Å; Q825-K829 WeakPolarHBondContact O-CG 3.17Å; Q825-K829 PolarHBondContact O-N 3.01Å; K826-K829 PolarHBondContact O-N 2.88Å; K829-S833 WeakPolarHBondContact O-CB 3.31Å; K829-S833 PolarHBondContact O-N 3.25Å
830	F	98.3	Very high	90.6	Very high	25 Å²	25	58 Å²	58	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-55.3	175.4	172.5	-100.5	0	0	0	110.9	F795 W798 M799 P802 K826 E827 W828 R832 S833 Q834	F795-F830 AromaticContact CE1-CD1 3.86Å; F795-F830 HydrophobicContact CE1-CD1 3.86Å; F795-F830 HydrophobicContact CE1-CE1 4.43Å; F795-F830 HydrophobicContact CE2-CD1 4.44Å; F795-F830 AromaticContact CZ-CD1 3.65Å; F795-F830 HydrophobicContact CZ-CD1 3.65Å; F795-F830 HydrophobicContact CZ-CE1 4.14Å; W798-F830 AromaticContact CD2-CE1 3.74Å; W798-F830 HydrophobicContact CD2-CE1 3.74Å; W798-F830 AromaticContact CD2-CZ 3.85Å; W798-F830 HydrophobicContact CD2-CZ 3.85Å; W798-F830 AromaticContact CE2-CZ 3.96Å; W798-F830 AromaticContact CE3-CE1 3.6Å; W798-F830 HydrophobicContact CE3-CE1 3.6Å; W798-F830 HydrophobicContact CE3-CZ 4.2Å; W798-F830 HydrophobicContact CG-CE1 4.26Å; W798-F830 HydrophobicContact CG-CZ 4.1Å; W798-F830 HydrophobicContact CH2-CE1 4.33Å; W798-F830 HydrophobicContact CZ2-CE1 4.45Å; W798-F830 HydrophobicContact CZ2-CZ 4.41Å; W798-F830 AromaticContact CZ3-CE1 3.9Å; W798-F830 HydrophobicContact CZ3-CE1 3.9Å; M799-F830 HydrophobicContact CB-CD1 4.48Å; M799-F830 HydrophobicContact CB-CD2 4.5Å; M799-F830 HydrophobicContact CB-CE1 4.37Å; M799-F830 HydrophobicContact CB-CE2 4.41Å; M799-F830 HydrophobicContact CB-CZ 4.34Å; M799-F830 HydrophobicContact CE-CB 4.02Å; M799-F830 HydrophobicContact CE-CG 4.31Å; M799-F830 HydrophobicContact CG-CB 4.3Å; M799-F830 HydrophobicContact CG-CD1 3.35Å; M799-F830 HydrophobicContact CG-CD2 4.03Å; M799-F830 HydrophobicContact CG-CE1 3.51Å; M799-F830 HydrophobicContact CG-CE2 4.19Å; M799-F830 HydrophobicContact CG-CG 3.61Å; M799-F830 HydrophobicContact CG-CZ 3.95Å; M799-F830 HydrophobicContact SD-CD1 4.34Å; P802-F830 HydrophobicContact CB-CE2 3.99Å; P802-F830 HydrophobicContact CB-CZ 4.36Å; P802-F830 HydrophobicContact CG-CE2 3.89Å; K826-F830 WeakPolarHBondContact O-CB 3.38Å; K826-F830 PolarHBondContact O-N 2.89Å; E827-F830 PolarHBondContact O-N 3.11Å; W828-F830 VanDerWaalsContact C-N 3.3Å; W828-F830 PolarHBondContact O-N 3.38Å; F830-R832 VanDerWaalsContact C-N 3.26Å; F830-R832 PolarHBondContact O-N 3.01Å; F830-S833 WeakPolarHBondContact O-CA 3.34Å; F830-S833 WeakPolarHBondContact O-CB 3.28Å; F830-S833 PolarHBondContact O-N 3.32Å; F830-S833 PolarHBondContact O-OG 3.32Å; F830-Q834 HydrophobicContact CE1-CG 4.2Å; F830-Q834 HydrophobicContact CE2-CG 4.21Å; F830-Q834 HydrophobicContact CZ-CG 3.98Å; F830-Q834 WeakPolarHBondContact O-CG 3.33Å; F830-Q834 PolarHBondContact O-N 2.73Å
831	L	97.6	Very high	89.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-56.8	-42.7	-179.4	-174.3	60.4	0	0	0	112	F795 W798 Y816 I820 E827 W828 S833 Q834 K849 A852 L853	F795-L831 HydrophobicContact CE2-CD1 4.22Å; F795-L831 HydrophobicContact CZ-CB 4.12Å; W798-L831 HydrophobicContact CH2-CD1 4.2Å; W798-L831 HydrophobicContact CZ3-CD1 3.93Å; Y816-L831 HydrophobicContact CD1-CD1 4.36Å; Y816-L831 HydrophobicContact CD2-CD1 3.96Å; Y816-L831 HydrophobicContact CE2-CD1 4.29Å; Y816-L831 HydrophobicContact CG-CD1 3.99Å; I820-L831 HydrophobicContact CD1-CB 4.14Å; I820-L831 HydrophobicContact CD1-CD2 4.01Å; I820-L831 HydrophobicContact CG1-CD2 3.69Å; E827-L831 PolarHBondContact O-N 3.45Å; W828-L831 PolarHBondContact O-N 2.79Å; L831-S833 VanDerWaalsContact C-N 3.31Å; L831-S833 PolarHBondContact O-N 3Å; L831-Q834 WeakPolarHBondContact O-CB 3.16Å; L831-Q834 PolarHBondContact O-N 3.08Å; L831-Q834 VanDerWaalsContact O-N 3.11Å; L831-K849 HydrophobicContact CD1-CB 4.12Å; L831-K849 HydrophobicContact CD1-CG 3.78Å; L831-K849 HydrophobicContact CG-CB 4.36Å; L831-A852 HydrophobicContact CD2-CB 3.9Å; L831-L853 HydrophobicContact CB-CD2 3.97Å; L831-L853 HydrophobicContact CD2-CD2 3.86Å; L831-L853 HydrophobicContact CD2-CG 4.03Å; L831-L853 HydrophobicContact CG-CD2 4.03Å; L831-L853 HydrophobicContact CG-CG 4.36Å
832	R	95.8	Very high	88.1	Confident	70 Å²	70	60.9 Å²	60.9	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-37.2	176	-172.6	173.6	-178.1	112.3	2.2	112.6	W828 F830 Q834 L835 L853 W868	W828-R832 HydrophobicContact CE3-CB 4.48Å; W828-R832 VanDerWaalsContact CH2-CD 3.49Å; W828-R832 VanDerWaalsContact CH2-NH1 3.32Å; W828-R832 HydrophobicContact CZ3-CB 4.38Å; W828-R832 VanDerWaalsContact CZ3-CD 3.41Å; W828-R832 WeakPolarHBondContact O-CB 3.4Å; W828-R832 PolarHBondContact O-N 2.94Å; F830-R832 VanDerWaalsContact C-N 3.26Å; F830-R832 PolarHBondContact O-N 3.01Å; R832-Q834 PolarHBondContact O-N 3.2Å; R832-L835 HydrophobicContact CG-CD1 4.19Å; R832-L835 WeakPolarHBondContact O-CB 3.49Å; R832-L835 PolarHBondContact O-N 2.98Å; R832-L853 HydrophobicContact CB-CD1 4.36Å; R832-L853 HydrophobicContact CB-CD2 4.26Å; R832-W868 VanDerWaalsContact NH2-CD1 3.34Å
833	S	95.2	Very high	87.2	Confident	78 Å²	78	61.7 Å²	61.7	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-16.2	176.7	75.6	0	0	0	0	113.8	K829 F830 L831	K829-S833 WeakPolarHBondContact O-CB 3.31Å; K829-S833 PolarHBondContact O-N 3.25Å; F830-S833 WeakPolarHBondContact O-CA 3.34Å; F830-S833 WeakPolarHBondContact O-CB 3.28Å; F830-S833 PolarHBondContact O-N 3.32Å; F830-S833 PolarHBondContact O-OG 3.32Å; L831-S833 VanDerWaalsContact C-N 3.31Å; L831-S833 PolarHBondContact O-N 3Å
834	Q	93.9	Very high	86.4	Confident	42 Å²	42	64.1 Å²	64.1	20%	0.196	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.1	178.7	-57.1	-57.7	-57	0	0	113	W798 F830 L831 R832 K849	W798-Q834 HydrophobicContact CH2-CB 3.85Å; W798-Q834 HydrophobicContact CH2-CG 3.7Å; W798-Q834 HydrophobicContact CZ2-CB 3.93Å; W798-Q834 HydrophobicContact CZ2-CG 3.57Å; F830-Q834 HydrophobicContact CE1-CG 4.2Å; F830-Q834 HydrophobicContact CE2-CG 4.21Å; F830-Q834 HydrophobicContact CZ-CG 3.98Å; F830-Q834 WeakPolarHBondContact O-CG 3.33Å; F830-Q834 PolarHBondContact O-N 2.73Å; L831-Q834 WeakPolarHBondContact O-CB 3.16Å; L831-Q834 PolarHBondContact O-N 3.08Å; L831-Q834 VanDerWaalsContact O-N 3.11Å; R832-Q834 PolarHBondContact O-N 3.2Å; Q834-K849 HydrophobicContact CB-CD 4.39Å; Q834-K849 WeakPolarHBondContact O-CE 3.37Å; Q834-K849 PolarHBondContact O-NZ 3.44Å
835	L	89.8	Confident	86	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.136	32%	0.316	C	S	.	.			trans	-73.3	128.5	176.1	-69.4	172.1	0	0	0	110.9	R832 L837 N846 K849 V850 L853 W868	R832-L835 HydrophobicContact CG-CD1 4.19Å; R832-L835 WeakPolarHBondContact O-CB 3.49Å; R832-L835 PolarHBondContact O-N 2.98Å; L835-L837 HydrophobicContact CB-CG 4.46Å; L835-N846 HydrophobicContact CD2-CB 4.4Å; L835-K849 HydrophobicContact CD2-CB 3.55Å; L835-K849 HydrophobicContact CD2-CD 3.97Å; L835-K849 HydrophobicContact CD2-CG 4.42Å; L835-V850 HydrophobicContact CD1-CG2 4.29Å; L835-V850 HydrophobicContact CD2-CG2 3.73Å; L835-L853 HydrophobicContact CD1-CD1 4.19Å; L835-W868 HydrophobicContact CD1-CH2 4.4Å
836	M	82.6	Confident	85.6	Confident	103 Å²	103	60.1 Å²	60.1	51%	0.507	30%	0.301	S	S	.	.			trans	-115.7	68.8	179.8	-61.2	-63.1	-71	0	0	109.8	N838 D839 N846	M836-N838 PolarHBondContact O-N 3.24Å; M836-D839 HydrophobicContact CB-CB 3.88Å; M836-D839 PolarHBondContact O-N 3.33Å; M836-N846 VanDerWaalsContact C-ND2 3.35Å; M836-N846 PolarHBondContact N-OD1 2.84Å; M836-N846 PolarHBondContact O-ND2 2.91Å
837	L	72.2	Confident	85	Confident	80 Å²	80	57.5 Å²	57.5	42%	0.419	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.7	-166.9	-63.2	174.2	0	0	0	115.2	L835 W868 F875	L835-L837 HydrophobicContact CB-CG 4.46Å; L837-W868 HydrophobicContact CD1-CZ2 4.31Å; L837-F875 HydrophobicContact CD2-CE2 3.98Å; L837-F875 HydrophobicContact CD2-CZ 3.65Å
838	N	69.1	Low	84.7	Confident	134 Å²	134	57 Å²	57	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	8	178.5	-64.6	-7.9	0	0	0	113.3	M836	M836-N838 PolarHBondContact O-N 3.24Å
839	D	70.1	Confident	84.5	Confident	53 Å²	53	57.5 Å²	57.5	28%	0.283	29%	0.291	S	S	.	.			trans	-103.6	100.8	179.4	-174.5	-6.2	0	0	0	110.4	M836 V841 N842	M836-D839 HydrophobicContact CB-CB 3.88Å; M836-D839 PolarHBondContact O-N 3.33Å; D839-V841 PolarHBondContact O-N 2.86Å; D839-V841 WeakPolarHBondContact OD1-CB 3.5Å; D839-V841 PolarHBondContact OD1-N 3.44Å; D839-N842 HydrophobicContact CB-CB 4.41Å; D839-N842 PolarHBondContact O-N 3.02Å; D839-N842 VanDerWaalsContact O-N 3.15Å; D839-N842 PolarHBondContact OD2-ND2 3.21Å
840	S	67.3	Low	84.4	Confident	24 Å²	24	51.4 Å²	51.4	17%	0.168	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.4	-175.9	80.2	0	0	0	0	112.6	L226 R329 E331 K332 N842	L226-S840 PolarHBondContact O-OG 3.17Å; R329-S840 PolarHBondContact NH2-O 2.95Å; R329-S840 PolarHBondContact NH2-OG 3.41Å; E331-S840 PolarHBondContact OE1-OG 3.04Å; K332-S840 WeakPolarHBondContact CE-O 3.46Å; S840-N842 VanDerWaalsContact C-N 3.33Å
841	V	69.4	Low	84.2	Confident	74 Å²	74	50.9 Å²	50.9	45%	0.448	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-74.3	-27.5	176	-179.2	0	0	0	0	111.3	E331 D839	E331-V841 HydrophobicContact CG-CG2 4.48Å; D839-V841 PolarHBondContact O-N 2.86Å; D839-V841 WeakPolarHBondContact OD1-CB 3.5Å; D839-V841 PolarHBondContact OD1-N 3.44Å
842	N	74	Confident	84.2	Confident	44 Å²	44	50.9 Å²	50.9	24%	0.235	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-104.6	19.5	-174.5	-77	-45	0	0	0	113.8	D839 S840 E845 N846	D839-N842 HydrophobicContact CB-CB 4.41Å; D839-N842 PolarHBondContact O-N 3.02Å; D839-N842 VanDerWaalsContact O-N 3.15Å; D839-N842 PolarHBondContact OD2-ND2 3.21Å; S840-N842 VanDerWaalsContact C-N 3.33Å; N842-E845 WeakPolarHBondContact O-CB 3.48Å; N842-E845 PolarHBondContact O-N 3.48Å; N842-E845 VanDerWaalsContact O-N 3.17Å; N842-N846 PolarHBondContact O-N 3.07Å; N842-N846 PolarHBondContact O-ND2 3.22Å
843	E	76.7	Confident	84.3	Confident	88 Å²	88	47.6 Å²	47.6	41%	0.411	25%	0.25	S	S	.	.	H	α-helix	trans	-56.1	-53.8	-176.7	-171.6	174.5	-166.8	0	0	113.5	R329 K332 E845 N846 E847	R329-E843 IonicContact NH1-OE2 3.83Å; K332-E843 IonicContact NZ-OE2 3.51Å; K332-E843 PolarHBondContact NZ-OE2 2.8Å; K332-E843 VanDerWaalsContact NZ-OE2 3.07Å; E843-E845 PolarHBondContact O-N 3.09Å; E843-N846 PolarHBondContact O-N 2.93Å; E843-N846 VanDerWaalsContact O-N 3.1Å; E843-E847 PolarHBondContact O-N 3.34Å
844	E	79.5	Confident	84.3	Confident	82 Å²	82	43.9 Å²	43.9	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-58.7	-35.6	176.9	-169.6	-162.5	148.2	0	0	111.7	K848	E844-K848 WeakPolarHBondContact O-CG 3.28Å; E844-K848 PolarHBondContact O-N 3.35Å; E844-K848 VanDerWaalsContact O-N 3.17Å; E844-K848 VanDerWaalsContact OE1-CE 3.22Å; E844-K848 WeakPolarHBondContact OE1-CE 3.32Å; E844-K848 IonicContact OE1-NZ 3.06Å; E844-K848 PolarHBondContact OE1-NZ 2.87Å
845	E	85.7	Confident	84.5	Confident	13 Å²	13	42.2 Å²	42.2	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-72.8	-38.1	178.9	-178.6	58.9	-157.6	0	0	111.7	R812 Y816 N842 E843 K848 K849	R812-E845 WeakPolarHBondContact CD-OE1 3.32Å; R812-E845 WeakPolarHBondContact CD-OE2 3.25Å; R812-E845 IonicContact CZ-OE2 3.07Å; R812-E845 IonicContact NE-OE2 2.77Å; R812-E845 VanDerWaalsContact NH1-CD 3.29Å; R812-E845 IonicContact NH1-OE1 3.82Å; R812-E845 IonicContact NH1-OE2 3.74Å; R812-E845 PolarHBondContact NH1-OE2 2.84Å; Y816-E845 WeakPolarHBondContact CE2-OE1 3.3Å; Y816-E845 PolarHBondContact OH-OE1 3.36Å; N842-E845 WeakPolarHBondContact O-CB 3.48Å; N842-E845 PolarHBondContact O-N 3.48Å; N842-E845 VanDerWaalsContact O-N 3.17Å; E843-E845 PolarHBondContact O-N 3.09Å; E845-K848 PolarHBondContact O-N 3.11Å; E845-K849 HydrophobicContact CG-CD 4.49Å; E845-K849 VanDerWaalsContact O-CG 3.26Å; E845-K849 WeakPolarHBondContact O-CG 3.37Å; E845-K849 PolarHBondContact O-N 3.35Å; E845-K849 VanDerWaalsContact O-N 3.15Å; E845-K849 WeakPolarHBondContact OE1-CE 3.45Å
846	N	87.7	Confident	84.8	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-41.3	173.3	-73.3	-31.2	0	0	0	111.3	L835 M836 N842 E843 K848 K849 V850	L835-N846 HydrophobicContact CD2-CB 4.4Å; M836-N846 VanDerWaalsContact C-ND2 3.35Å; M836-N846 PolarHBondContact N-OD1 2.84Å; M836-N846 PolarHBondContact O-ND2 2.91Å; N842-N846 PolarHBondContact O-N 3.07Å; N842-N846 PolarHBondContact O-ND2 3.22Å; E843-N846 PolarHBondContact O-N 2.93Å; E843-N846 VanDerWaalsContact O-N 3.1Å; N846-K848 PolarHBondContact O-N 3.3Å; N846-K849 WeakPolarHBondContact O-CB 3.27Å; N846-K849 PolarHBondContact O-N 3.26Å; N846-V850 WeakPolarHBondContact O-CG2 3.11Å; N846-V850 PolarHBondContact O-N 2.75Å
847	E	86.7	Confident	85.4	Confident	96 Å²	96	42 Å²	42	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-56.6	-51.3	175.1	-167.6	-169.2	160	0	0	110.7	E843 K849 V850 L851	E843-E847 PolarHBondContact O-N 3.34Å; E847-K849 VanDerWaalsContact C-N 3.29Å; E847-K849 PolarHBondContact O-N 3.05Å; E847-V850 PolarHBondContact O-N 3.03Å; E847-V850 VanDerWaalsContact O-N 3.12Å; E847-L851 HydrophobicContact CG-CD1 4.17Å; E847-L851 HydrophobicContact CG-CG 4.38Å; E847-L851 VanDerWaalsContact O-CG 3.26Å; E847-L851 WeakPolarHBondContact O-CG 3.37Å; E847-L851 PolarHBondContact O-N 2.85Å
848	K	91.1	Very high	86.6	Confident	23 Å²	23	41.7 Å²	41.7	10%	0.1	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-42	176.6	-69.6	170	-171	167.2	0	112.7	P809 R812 L813 E844 E845 N846 A852	P809-K848 PolarHBondContact O-NZ 3.42Å; R812-K848 HydrophobicContact CB-CD 4.38Å; L813-K848 HydrophobicContact CB-CB 4.4Å; L813-K848 HydrophobicContact CB-CG 4.26Å; L813-K848 WeakPolarHBondContact CD1-O 3.49Å; E844-K848 WeakPolarHBondContact O-CG 3.28Å; E844-K848 PolarHBondContact O-N 3.35Å; E844-K848 VanDerWaalsContact O-N 3.17Å; E844-K848 VanDerWaalsContact OE1-CE 3.22Å; E844-K848 WeakPolarHBondContact OE1-CE 3.32Å; E844-K848 IonicContact OE1-NZ 3.06Å; E844-K848 PolarHBondContact OE1-NZ 2.87Å; E845-K848 PolarHBondContact O-N 3.11Å; N846-K848 PolarHBondContact O-N 3.3Å; K848-A852 VanDerWaalsContact O-CB 3.29Å; K848-A852 WeakPolarHBondContact O-CB 3.3Å; K848-A852 PolarHBondContact O-N 3.43Å
849	K	94.7	Very high	87.9	Confident	14 Å²	14	38.8 Å²	38.8	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-47.1	177.7	-68.2	165.4	-175.8	162.2	0	110.8	Y816 L831 Q834 L835 E845 N846 E847 A852 L853	Y816-K849 HydrophobicContact CD2-CG 4.23Å; Y816-K849 HydrophobicContact CE2-CG 3.82Å; L831-K849 HydrophobicContact CD1-CB 4.12Å; L831-K849 HydrophobicContact CD1-CG 3.78Å; L831-K849 HydrophobicContact CG-CB 4.36Å; Q834-K849 HydrophobicContact CB-CD 4.39Å; Q834-K849 WeakPolarHBondContact O-CE 3.37Å; Q834-K849 PolarHBondContact O-NZ 3.44Å; L835-K849 HydrophobicContact CD2-CB 3.55Å; L835-K849 HydrophobicContact CD2-CD 3.97Å; L835-K849 HydrophobicContact CD2-CG 4.42Å; E845-K849 HydrophobicContact CG-CD 4.49Å; E845-K849 VanDerWaalsContact O-CG 3.26Å; E845-K849 WeakPolarHBondContact O-CG 3.37Å; E845-K849 PolarHBondContact O-N 3.35Å; E845-K849 VanDerWaalsContact O-N 3.15Å; E845-K849 WeakPolarHBondContact OE1-CE 3.45Å; N846-K849 WeakPolarHBondContact O-CB 3.27Å; N846-K849 PolarHBondContact O-N 3.26Å; E847-K849 VanDerWaalsContact C-N 3.29Å; E847-K849 PolarHBondContact O-N 3.05Å; K849-A852 PolarHBondContact O-N 3.02Å; K849-L853 WeakPolarHBondContact O-CG 3.39Å; K849-L853 PolarHBondContact O-N 3.44Å
850	V	94.5	Very high	89.1	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-43.8	-179.9	169.4	0	0	0	0	111.9	L835 N846 E847 L853 H865 W868 F875 T878	L835-V850 HydrophobicContact CD1-CG2 4.29Å; L835-V850 HydrophobicContact CD2-CG2 3.73Å; N846-V850 WeakPolarHBondContact O-CG2 3.11Å; N846-V850 PolarHBondContact O-N 2.75Å; E847-V850 PolarHBondContact O-N 3.03Å; E847-V850 VanDerWaalsContact O-N 3.12Å; V850-L853 PolarHBondContact O-N 2.83Å; V850-H865 PolarHBondContact O-NE2 3.44Å; V850-W868 HydrophobicContact CB-CZ3 4.48Å; V850-W868 HydrophobicContact CG1-CH2 4.34Å; V850-W868 HydrophobicContact CG1-CZ3 3.81Å; V850-W868 HydrophobicContact CG2-CH2 3.7Å; V850-W868 HydrophobicContact CG2-CZ3 3.9Å; V850-F875 HydrophobicContact CB-CD1 4.18Å; V850-F875 HydrophobicContact CB-CE1 4.47Å; V850-F875 HydrophobicContact CG1-CB 3.96Å; V850-F875 HydrophobicContact CG1-CD1 3.75Å; V850-F875 HydrophobicContact CG1-CE1 4.47Å; V850-F875 HydrophobicContact CG1-CG 3.85Å; V850-F875 HydrophobicContact CG2-CD1 4.01Å; V850-F875 HydrophobicContact CG2-CE1 3.89Å; V850-F875 HydrophobicContact CG2-CG 4.44Å; V850-F875 HydrophobicContact CG2-CZ 4.23Å; V850-T878 HydrophobicContact CG1-CG2 4.32Å; V850-T878 WeakPolarHBondContact CG1-OG1 3.25Å
851	L	95.1	Very high	90.5	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.3	-64.9	177.7	0	0	0	111.6	L813 E847 L853 A854 Y881	L813-L851 HydrophobicContact CD1-CB 3.86Å; L813-L851 HydrophobicContact CD2-CD1 4.4Å; E847-L851 HydrophobicContact CG-CD1 4.17Å; E847-L851 HydrophobicContact CG-CG 4.38Å; E847-L851 VanDerWaalsContact O-CG 3.26Å; E847-L851 WeakPolarHBondContact O-CG 3.37Å; E847-L851 PolarHBondContact O-N 2.85Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 2.62Å; L851-A854 WeakPolarHBondContact O-CB 3.44Å; L851-A854 PolarHBondContact O-N 3.23Å; L851-Y881 HydrophobicContact CB-CD2 4.02Å; L851-Y881 HydrophobicContact CB-CE2 3.96Å; L851-Y881 HydrophobicContact CB-CG 4.37Å; L851-Y881 HydrophobicContact CD1-CD2 4.49Å; L851-Y881 HydrophobicContact CD1-CE2 3.86Å; L851-Y881 HydrophobicContact CD2-CD2 3.7Å; L851-Y881 HydrophobicContact CD2-CE2 3.9Å; L851-Y881 HydrophobicContact CG-CD2 4.26Å; L851-Y881 HydrophobicContact CG-CE2 4.11Å
852	A	96.9	Very high	91.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-28.4	-179.3	0	0	0	0	0	114.1	L813 Y816 C817 L831 K848 K849 A854 C855	L813-A852 HydrophobicContact CD1-CB 4.2Å; Y816-A852 HydrophobicContact CD2-CB 4.37Å; Y816-A852 HydrophobicContact CG-CB 4.38Å; C817-A852 HydrophobicContact CB-CB 4.27Å; L831-A852 HydrophobicContact CD2-CB 3.9Å; K848-A852 VanDerWaalsContact O-CB 3.29Å; K848-A852 WeakPolarHBondContact O-CB 3.3Å; K848-A852 PolarHBondContact O-N 3.43Å; K849-A852 PolarHBondContact O-N 3.02Å; A852-A854 PolarHBondContact O-N 3.5Å; A852-C855 VanDerWaalsContact O-CB 3.32Å; A852-C855 WeakPolarHBondContact O-CB 3.4Å; A852-C855 PolarHBondContact O-N 2.88Å
853	L	97.3	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-22.2	174.8	-71.9	170.6	0	0	0	112.7	W828 L831 R832 L835 K849 V850 L851 C855 H865	W828-L853 HydrophobicContact CD2-CD2 3.89Å; W828-L853 HydrophobicContact CG-CD2 3.91Å; W828-L853 HydrophobicContact CZ2-CD2 4.23Å; W828-L853 PolarHBondContact NE1-O 2.96Å; W828-L853 VanDerWaalsContact NE1-O 3.14Å; L831-L853 HydrophobicContact CB-CD2 3.97Å; L831-L853 HydrophobicContact CD2-CD2 3.86Å; L831-L853 HydrophobicContact CD2-CG 4.03Å; L831-L853 HydrophobicContact CG-CD2 4.03Å; L831-L853 HydrophobicContact CG-CG 4.36Å; R832-L853 HydrophobicContact CB-CD1 4.36Å; R832-L853 HydrophobicContact CB-CD2 4.26Å; L835-L853 HydrophobicContact CD1-CD1 4.19Å; K849-L853 WeakPolarHBondContact O-CG 3.39Å; K849-L853 PolarHBondContact O-N 3.44Å; V850-L853 PolarHBondContact O-N 2.83Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 2.62Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 2.72Å; L853-H865 WeakPolarHBondContact CB-NE2 3.43Å
854	A	96.7	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	5.8	175.3	0	0	0	0	0	114.2	L851 A852 M862 T878 F882	L851-A854 WeakPolarHBondContact O-CB 3.44Å; L851-A854 PolarHBondContact O-N 3.23Å; A852-A854 PolarHBondContact O-N 3.5Å; A854-M862 HydrophobicContact CB-CE 4.34Å; A854-M862 WeakPolarHBondContact O-CE 3.24Å; A854-T878 HydrophobicContact CB-CG2 3.75Å; A854-F882 HydrophobicContact CB-CD2 3.88Å; A854-F882 HydrophobicContact CB-CE2 3.8Å; A854-F882 HydrophobicContact CB-CG 4.45Å; A854-F882 HydrophobicContact CB-CZ 4.3Å
855	C	96.4	Very high	94.7	Very high	8 Å²	8	35 Å²	35	5%	0.054	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0.3	177.9	-62.9	0	0	0	0	114.5	C817 I820 R821 A852 L853	C817-C855 VanDerWaalsContact CA-SG 3.59Å; C817-C855 HydrophobicContact CB-CB 3.88Å; C817-C855 WeakPolarHBondContact CB-SG 3.23Å; C817-C855 VanDerWaalsContact O-CB 3.25Å; C817-C855 WeakPolarHBondContact O-CB 3.17Å; C817-C855 WeakPolarHBondContact SG-CB 3.4Å; C817-C855 CovalentContact SG-SG 2.03Å; C817-C855 PolarHBondContact SG-SG 3.18Å; I820-C855 HydrophobicContact CG2-CB 4.47Å; R821-C855 VanDerWaalsContact CA-O 3.26Å; R821-C855 WeakPolarHBondContact CA-O 3.36Å; R821-C855 WeakPolarHBondContact CB-O 3.05Å; A852-C855 VanDerWaalsContact O-CB 3.32Å; A852-C855 WeakPolarHBondContact O-CB 3.4Å; A852-C855 PolarHBondContact O-N 2.88Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 2.72Å
856	S	97.2	Very high	95.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.175	C	C	.	.			trans	-65.5	143.8	-177.4	-176.9	0	0	0	0	111.7	D858 M862	S856-D858 PolarHBondContact OG-N 3.14Å; S856-D858 VanDerWaalsContact OG-N 3.09Å; S856-M862 WeakPolarHBondContact O-CG 3.49Å
857	R	95.2	Very high	95.7	Very high	121 Å²	121	38.9 Å²	38.9	46%	0.457	20%	0.197	S	C	.	.			trans	-87.9	-11.7	169.1	-69	180	171.2	167.4	-0.3	112.7	E783 R821 V859	E783-R857 IonicContact OE1-CZ 3.59Å; E783-R857 IonicContact OE1-NH2 2.72Å; E783-R857 PolarHBondContact OE1-NH2 3.47Å; E783-R857 IonicContact OE2-CZ 3.78Å; E783-R857 IonicContact OE2-NH1 3.76Å; E783-R857 IonicContact OE2-NH2 2.74Å; E783-R857 PolarHBondContact OE2-NH2 3.36Å; R821-R857 HydrophobicContact CG-CG 4.11Å; R857-V859 PolarHBondContact O-N 2.91Å
858	D	96.9	Very high	96.1	Very high	75 Å²	75	35.6 Å²	35.6	40%	0.401	18%	0.18	S	C	.	.			trans	-78.6	116.5	178.1	-177.4	-51.1	0	0	0	110.6	S856 G860 I861 M862	S856-D858 PolarHBondContact OG-N 3.14Å; S856-D858 VanDerWaalsContact OG-N 3.09Å; D858-G860 VanDerWaalsContact C-N 3.32Å; D858-G860 PolarHBondContact O-N 3.18Å; D858-G860 WeakPolarHBondContact OD1-CA 3.33Å; D858-G860 PolarHBondContact OD1-N 3.07Å; D858-I861 HydrophobicContact CB-CB 3.98Å; D858-I861 HydrophobicContact CB-CD1 3.86Å; D858-I861 HydrophobicContact CB-CG1 3.94Å; D858-I861 PolarHBondContact O-N 2.89Å; D858-I861 PolarHBondContact OD1-N 3.22Å; D858-M862 WeakPolarHBondContact O-CG 3.4Å; D858-M862 PolarHBondContact O-N 2.7Å
859	V	96.1	Very high	96.3	Very high	73 Å²	73	34.5 Å²	34.5	44%	0.442	18%	0.175	S	C	.	.	H	α-helix	trans	-60.9	-39	-178.5	-178.3	0	0	0	0	112	R857 M862 K863 V887 L891	R857-V859 PolarHBondContact O-N 2.91Å; V859-M862 PolarHBondContact O-N 3.38Å; V859-K863 HydrophobicContact CG1-CD 4.28Å; V859-K863 HydrophobicContact CG1-CG 4.49Å; V859-K863 WeakPolarHBondContact O-CB 3.42Å; V859-K863 WeakPolarHBondContact O-CG 3.43Å; V859-K863 PolarHBondContact O-N 2.8Å; V859-V887 HydrophobicContact CB-CG1 4.4Å; V859-V887 HydrophobicContact CG2-CG1 3.96Å; V859-L891 HydrophobicContact CG1-CD2 4.47Å
860	G	96.6	Very high	96.3	Very high	46 Å²	46	36.4 Å²	36.4	47%	0.474	18%	0.184	S	C	.	.	H	α-helix	trans	-67.1	-42.9	179.8	0	0	0	0	0	111.9	D858 K864	D858-G860 VanDerWaalsContact C-N 3.32Å; D858-G860 PolarHBondContact O-N 3.18Å; D858-G860 WeakPolarHBondContact OD1-CA 3.33Å; D858-G860 PolarHBondContact OD1-N 3.07Å; G860-K864 PolarHBondContact O-N 3.31Å; G860-K864 VanDerWaalsContact O-N 3.09Å
861	I	96.9	Very high	96.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-47.7	173.1	-69.4	-178.7	0	0	0	110.8	Q825 W828 D858 K863 K864 H865	Q825-I861 HydrophobicContact CB-CD1 4.32Å; W828-I861 HydrophobicContact CB-CD1 4.13Å; W828-I861 HydrophobicContact CB-CG2 4.45Å; W828-I861 HydrophobicContact CD2-CG2 3.62Å; W828-I861 VanDerWaalsContact CE2-CG2 3.4Å; W828-I861 HydrophobicContact CE3-CG2 4.47Å; W828-I861 HydrophobicContact CG-CD1 4.29Å; W828-I861 HydrophobicContact CG-CG2 3.57Å; W828-I861 HydrophobicContact CZ2-CG2 4.09Å; D858-I861 HydrophobicContact CB-CB 3.98Å; D858-I861 HydrophobicContact CB-CD1 3.86Å; D858-I861 HydrophobicContact CB-CG1 3.94Å; D858-I861 PolarHBondContact O-N 2.89Å; D858-I861 PolarHBondContact OD1-N 3.22Å; I861-K863 PolarHBondContact O-N 3.36Å; I861-K864 PolarHBondContact O-N 3.3Å; I861-H865 PolarHBondContact O-N 3.07Å
862	M	97.5	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-41	-178.2	-74	-63.4	-74.3	0	0	112.3	A854 S856 D858 V859 H865 L866 F882 V887 L891	A854-M862 HydrophobicContact CB-CE 4.34Å; A854-M862 WeakPolarHBondContact O-CE 3.24Å; S856-M862 WeakPolarHBondContact O-CG 3.49Å; D858-M862 WeakPolarHBondContact O-CG 3.4Å; D858-M862 PolarHBondContact O-N 2.7Å; V859-M862 PolarHBondContact O-N 3.38Å; M862-H865 PolarHBondContact O-N 3.02Å; M862-L866 WeakPolarHBondContact O-CB 2.95Å; M862-L866 PolarHBondContact O-N 2.86Å; M862-F882 HydrophobicContact CB-CE1 4.49Å; M862-F882 HydrophobicContact CE-CD1 3.39Å; M862-F882 HydrophobicContact CE-CE1 3.34Å; M862-F882 HydrophobicContact CE-CG 4.18Å; M862-F882 HydrophobicContact CE-CZ 4.11Å; M862-F882 HydrophobicContact SD-CE1 4.25Å; M862-V887 HydrophobicContact CB-CG1 3.98Å; M862-V887 HydrophobicContact CG-CG1 3.89Å; M862-L891 HydrophobicContact CB-CD1 3.55Å
863	K	97.1	Very high	95.3	Very high	114 Å²	114	51.8 Å²	51.8	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-46.2	172.8	-77	-179.7	177.3	-172.4	0	112	V859 I861 H865 L866 N867 L891	V859-K863 HydrophobicContact CG1-CD 4.28Å; V859-K863 HydrophobicContact CG1-CG 4.49Å; V859-K863 WeakPolarHBondContact O-CB 3.42Å; V859-K863 WeakPolarHBondContact O-CG 3.43Å; V859-K863 PolarHBondContact O-N 2.8Å; I861-K863 PolarHBondContact O-N 3.36Å; K863-H865 VanDerWaalsContact C-N 3.31Å; K863-H865 PolarHBondContact O-N 3.38Å; K863-L866 PolarHBondContact O-N 3.38Å; K863-N867 PolarHBondContact O-N 3.14Å; K863-N867 VanDerWaalsContact O-N 3.1Å; K863-L891 HydrophobicContact CD-CD2 4.18Å; K863-L891 HydrophobicContact CG-CD1 3.98Å; K863-L891 HydrophobicContact CG-CD2 3.55Å; K863-L891 HydrophobicContact CG-CG 4.43Å
864	K	96.1	Very high	94.6	Very high	123 Å²	123	58.1 Å²	58.1	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-39.8	177	-177.2	176.6	-180	173.4	0	112	G860 I861 W868	G860-K864 PolarHBondContact O-N 3.31Å; G860-K864 VanDerWaalsContact O-N 3.09Å; I861-K864 PolarHBondContact O-N 3.3Å; K864-W868 PolarHBondContact O-N 2.69Å
865	H	96.7	Very high	94.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-43.1	177.7	-166.7	45.7	0	0	0	112	W828 V850 L853 I861 M862 K863 N867 W868 V869 F882	W828-H865 HydrophobicContact CZ2-CB 3.98Å; V850-H865 PolarHBondContact O-NE2 3.44Å; L853-H865 WeakPolarHBondContact CB-NE2 3.43Å; I861-H865 PolarHBondContact O-N 3.07Å; M862-H865 PolarHBondContact O-N 3.02Å; K863-H865 VanDerWaalsContact C-N 3.31Å; K863-H865 PolarHBondContact O-N 3.38Å; H865-N867 VanDerWaalsContact C-N 3.33Å; H865-N867 PolarHBondContact O-N 2.84Å; H865-W868 AromaticContact CE1-CE3 3.6Å; H865-W868 AromaticContact CE1-CZ3 3.75Å; H865-W868 AromaticContact ND1-CE3 3.71Å; H865-W868 WeakPolarHBondContact O-CB 3.45Å; H865-W868 PolarHBondContact O-N 2.93Å; H865-W868 VanDerWaalsContact O-N 3.12Å; H865-V869 WeakPolarHBondContact O-CG2 3.15Å; H865-V869 PolarHBondContact O-N 3.36Å; H865-F882 HydrophobicContact CB-CZ 4.09Å; H865-F882 AromaticContact CD2-CE2 3.73Å; H865-F882 AromaticContact CD2-CZ 3.62Å
866	L	97.1	Very high	94	Very high	10 Å²	10	61 Å²	61	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-43.3	177.8	-175.4	62.2	0	0	0	111.6	M862 K863 W868 V869 K870 L879 F882 L891 L892 F908	M862-L866 WeakPolarHBondContact O-CB 2.95Å; M862-L866 PolarHBondContact O-N 2.86Å; K863-L866 PolarHBondContact O-N 3.38Å; L866-W868 VanDerWaalsContact C-N 3.32Å; L866-W868 PolarHBondContact O-N 3.06Å; L866-V869 PolarHBondContact O-N 3.47Å; L866-K870 WeakPolarHBondContact O-CB 3.38Å; L866-K870 PolarHBondContact O-N 3.33Å; L866-L879 HydrophobicContact CD1-CD2 3.83Å; L866-F882 HydrophobicContact CB-CE1 3.75Å; L866-F882 HydrophobicContact CB-CZ 3.79Å; L866-F882 HydrophobicContact CD1-CD1 4.31Å; L866-F882 HydrophobicContact CD1-CD2 4.46Å; L866-F882 HydrophobicContact CD1-CE1 4.15Å; L866-F882 HydrophobicContact CD1-CE2 4.29Å; L866-F882 HydrophobicContact CD1-CG 4.49Å; L866-F882 HydrophobicContact CD1-CZ 4.15Å; L866-F882 HydrophobicContact CG-CE1 4.44Å; L866-L891 HydrophobicContact CD2-CB 4.21Å; L866-L892 HydrophobicContact CD1-CD2 3.95Å; L866-L892 HydrophobicContact CD2-CD2 4.42Å; L866-F908 HydrophobicContact CD1-CE1 4.46Å; L866-F908 HydrophobicContact CD1-CZ 3.93Å
867	N	96.3	Very high	93.5	Very high	93 Å²	93	65.3 Å²	65.3	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-39.9	175.3	-72.7	-8.6	0	0	0	112.3	K863 H865 K870 E871	K863-N867 PolarHBondContact O-N 3.14Å; K863-N867 VanDerWaalsContact O-N 3.1Å; H865-N867 VanDerWaalsContact C-N 3.33Å; H865-N867 PolarHBondContact O-N 2.84Å; N867-K870 WeakPolarHBondContact O-CB 3.34Å; N867-K870 PolarHBondContact O-N 3.37Å; N867-E871 WeakPolarHBondContact O-CG 3.25Å; N867-E871 PolarHBondContact O-N 3.37Å
868	W	95.1	Very high	93.4	Very high	28 Å²	28	59.6 Å²	59.6	11%	0.106	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-40.5	175.2	179.8	69.4	0	0	0	112.1	R832 L835 L837 V850 K864 H865 L866 K870 E871 N872 F875	R832-W868 VanDerWaalsContact NH2-CD1 3.34Å; L835-W868 HydrophobicContact CD1-CH2 4.4Å; L837-W868 HydrophobicContact CD1-CZ2 4.31Å; V850-W868 HydrophobicContact CB-CZ3 4.48Å; V850-W868 HydrophobicContact CG1-CH2 4.34Å; V850-W868 HydrophobicContact CG1-CZ3 3.81Å; V850-W868 HydrophobicContact CG2-CH2 3.7Å; V850-W868 HydrophobicContact CG2-CZ3 3.9Å; K864-W868 PolarHBondContact O-N 2.69Å; H865-W868 AromaticContact CE1-CE3 3.6Å; H865-W868 AromaticContact CE1-CZ3 3.75Å; H865-W868 AromaticContact ND1-CE3 3.71Å; H865-W868 WeakPolarHBondContact O-CB 3.45Å; H865-W868 PolarHBondContact O-N 2.93Å; H865-W868 VanDerWaalsContact O-N 3.12Å; L866-W868 VanDerWaalsContact C-N 3.32Å; L866-W868 PolarHBondContact O-N 3.06Å; W868-K870 VanDerWaalsContact C-N 3.34Å; W868-K870 PolarHBondContact O-N 3.44Å; W868-E871 PolarHBondContact O-N 3.08Å; W868-N872 PolarHBondContact NE1-ND2 3.17Å; W868-N872 PolarHBondContact O-N 3.15Å; W868-N872 PolarHBondContact O-ND2 3.28Å; W868-F875 AromaticContact CH2-CD2 3.25Å; W868-F875 HydrophobicContact CH2-CD2 3.25Å; W868-F875 AromaticContact CH2-CE2 3.3Å; W868-F875 HydrophobicContact CH2-CE2 3.3Å; W868-F875 HydrophobicContact CH2-CG 4.04Å; W868-F875 HydrophobicContact CH2-CZ 4.09Å; W868-F875 AromaticContact CZ2-CD2 3.79Å; W868-F875 HydrophobicContact CZ2-CD2 3.79Å; W868-F875 AromaticContact CZ2-CE2 3.61Å; W868-F875 HydrophobicContact CZ2-CE2 3.61Å; W868-F875 AromaticContact CZ3-CD2 3.73Å; W868-F875 HydrophobicContact CZ3-CD2 3.73Å; W868-F875 HydrophobicContact CZ3-CE2 4.23Å; W868-F875 HydrophobicContact CZ3-CG 4.2Å
869	V	95.2	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-39.9	174.5	170.5	0	0	0	0	111.3	H865 L866 E871 N872 F875 W876 T878 F882 F908	H865-V869 WeakPolarHBondContact O-CG2 3.15Å; H865-V869 PolarHBondContact O-N 3.36Å; L866-V869 PolarHBondContact O-N 3.47Å; V869-E871 VanDerWaalsContact C-N 3.28Å; V869-E871 PolarHBondContact O-N 2.71Å; V869-N872 CarbonylContact O-C 3.47Å; V869-N872 PolarHBondContact O-N 3.47Å; V869-N872 VanDerWaalsContact O-N 3.1Å; V869-N872 VanDerWaalsContact O-O 3.09Å; V869-F875 WeakPolarHBondContact CG1-O 3.28Å; V869-W876 VanDerWaalsContact O-CD1 3.28Å; V869-W876 PolarHBondContact O-NE1 2.9Å; V869-T878 HydrophobicContact CG2-CG2 4.16Å; V869-F882 HydrophobicContact CG2-CE2 4.37Å; V869-F908 HydrophobicContact CG1-CE2 4.35Å
870	K	94.8	Very high	93.1	Very high	54 Å²	54	55.8 Å²	55.8	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-44.4	174.5	178	178.8	174.6	177.6	0	111.7	L866 N867 W868 N872 F908	L866-K870 WeakPolarHBondContact O-CB 3.38Å; L866-K870 PolarHBondContact O-N 3.33Å; N867-K870 WeakPolarHBondContact O-CB 3.34Å; N867-K870 PolarHBondContact O-N 3.37Å; W868-K870 VanDerWaalsContact C-N 3.34Å; W868-K870 PolarHBondContact O-N 3.44Å; K870-N872 VanDerWaalsContact C-N 3.29Å; K870-N872 PolarHBondContact O-N 2.89Å; K870-F908 HydrophobicContact CB-CD1 4.08Å; K870-F908 HydrophobicContact CB-CD2 4.42Å; K870-F908 HydrophobicContact CB-CE1 3.72Å; K870-F908 HydrophobicContact CB-CE2 4.1Å; K870-F908 HydrophobicContact CB-CG 4.4Å; K870-F908 HydrophobicContact CB-CZ 3.72Å; K870-F908 HydrophobicContact CD-CD1 4.06Å; K870-F908 HydrophobicContact CD-CE1 4.16Å; K870-F908 HydrophobicContact CG-CD1 3.74Å; K870-F908 HydrophobicContact CG-CD2 4.48Å; K870-F908 HydrophobicContact CG-CE1 3.89Å; K870-F908 HydrophobicContact CG-CG 4.04Å; K870-F908 HydrophobicContact CG-CZ 4.32Å
871	E	93.2	Very high	93	Very high	152 Å²	152	55.4 Å²	55.4	71%	0.71	25%	0.253	S	S	*	.	H	α-helix	trans	-71.9	-18.4	179.3	-68.6	171.1	176.1	0	0	113.9	N867 W868 V869	N867-E871 WeakPolarHBondContact O-CG 3.25Å; N867-E871 PolarHBondContact O-N 3.37Å; W868-E871 PolarHBondContact O-N 3.08Å; V869-E871 VanDerWaalsContact C-N 3.28Å; V869-E871 PolarHBondContact O-N 2.71Å
872	N	89.2	Confident	92.9	Very high	43 Å²	43	55.3 Å²	55.3	23%	0.23	25%	0.252	C	S	.	.			trans	-123.7	89.9	-172.8	-65.5	-90.3	0	0	0	110.7	W868 V869 K870 E874 F875	W868-N872 PolarHBondContact NE1-ND2 3.17Å; W868-N872 PolarHBondContact O-N 3.15Å; W868-N872 PolarHBondContact O-ND2 3.28Å; V869-N872 CarbonylContact O-C 3.47Å; V869-N872 PolarHBondContact O-N 3.47Å; V869-N872 VanDerWaalsContact O-N 3.1Å; V869-N872 VanDerWaalsContact O-O 3.09Å; K870-N872 VanDerWaalsContact C-N 3.29Å; K870-N872 PolarHBondContact O-N 2.89Å; N872-E874 PolarHBondContact O-N 3.24Å; N872-E874 VanDerWaalsContact O-N 3.11Å; N872-F875 HydrophobicContact CB-CD2 3.6Å; N872-F875 HydrophobicContact CB-CE2 4.21Å; N872-F875 PolarHBondContact O-N 2.63Å
873	K	84.7	Confident	92.6	Very high	143 Å²	143	55.3 Å²	55.3	62%	0.622	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32.7	-175.4	-171.9	172.5	-179.5	174.4	0	114.5	F875 W876	K873-F875 PolarHBondContact O-N 2.88Å; K873-W876 HydrophobicContact CB-CZ2 4.29Å; K873-W876 HydrophobicContact CD-CH2 4.24Å; K873-W876 HydrophobicContact CD-CZ2 4.47Å; K873-W876 HydrophobicContact CD-CZ3 4.4Å; K873-W876 HydrophobicContact CG-CD2 3.95Å; K873-W876 HydrophobicContact CG-CE3 4.05Å; K873-W876 HydrophobicContact CG-CH2 4.11Å; K873-W876 HydrophobicContact CG-CZ2 4Å; K873-W876 HydrophobicContact CG-CZ3 4.14Å; K873-W876 PolarHBondContact O-N 3.18Å
874	E	80.5	Confident	92.3	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-63.4	-17.6	176.5	65	-172.2	-166.7	0	0	114.1	N872	N872-E874 PolarHBondContact O-N 3.24Å; N872-E874 VanDerWaalsContact O-N 3.11Å
875	F	88.6	Confident	92	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.096	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-104.6	11.9	179.7	-60.9	-50.6	0	0	0	113.8	L837 V850 W868 V869 N872 K873 D877 T878	L837-F875 HydrophobicContact CD2-CE2 3.98Å; L837-F875 HydrophobicContact CD2-CZ 3.65Å; V850-F875 HydrophobicContact CB-CD1 4.18Å; V850-F875 HydrophobicContact CB-CE1 4.47Å; V850-F875 HydrophobicContact CG1-CB 3.96Å; V850-F875 HydrophobicContact CG1-CD1 3.75Å; V850-F875 HydrophobicContact CG1-CE1 4.47Å; V850-F875 HydrophobicContact CG1-CG 3.85Å; V850-F875 HydrophobicContact CG2-CD1 4.01Å; V850-F875 HydrophobicContact CG2-CE1 3.89Å; V850-F875 HydrophobicContact CG2-CG 4.44Å; V850-F875 HydrophobicContact CG2-CZ 4.23Å; W868-F875 AromaticContact CH2-CD2 3.25Å; W868-F875 HydrophobicContact CH2-CD2 3.25Å; W868-F875 AromaticContact CH2-CE2 3.3Å; W868-F875 HydrophobicContact CH2-CE2 3.3Å; W868-F875 HydrophobicContact CH2-CG 4.04Å; W868-F875 HydrophobicContact CH2-CZ 4.09Å; W868-F875 AromaticContact CZ2-CD2 3.79Å; W868-F875 HydrophobicContact CZ2-CD2 3.79Å; W868-F875 AromaticContact CZ2-CE2 3.61Å; W868-F875 HydrophobicContact CZ2-CE2 3.61Å; W868-F875 AromaticContact CZ3-CD2 3.73Å; W868-F875 HydrophobicContact CZ3-CD2 3.73Å; W868-F875 HydrophobicContact CZ3-CE2 4.23Å; W868-F875 HydrophobicContact CZ3-CG 4.2Å; V869-F875 WeakPolarHBondContact CG1-O 3.28Å; N872-F875 HydrophobicContact CB-CD2 3.6Å; N872-F875 HydrophobicContact CB-CE2 4.21Å; N872-F875 PolarHBondContact O-N 2.63Å; K873-F875 PolarHBondContact O-N 2.88Å; F875-D877 PolarHBondContact O-N 3.44Å; F875-T878 WeakPolarHBondContact O-CB 3.36Å; F875-T878 PolarHBondContact O-N 2.81Å; F875-T878 PolarHBondContact O-OG1 2.82Å
876	W	92.5	Very high	91.7	Very high	45 Å²	45	49.5 Å²	49.5	17%	0.17	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.8	-179.3	-75.1	6.5	0	0	0	113.7	V869 K873 T878 L879 D907 F908 A911	V869-W876 VanDerWaalsContact O-CD1 3.28Å; V869-W876 PolarHBondContact O-NE1 2.9Å; K873-W876 HydrophobicContact CB-CZ2 4.29Å; K873-W876 HydrophobicContact CD-CH2 4.24Å; K873-W876 HydrophobicContact CD-CZ2 4.47Å; K873-W876 HydrophobicContact CD-CZ3 4.4Å; K873-W876 HydrophobicContact CG-CD2 3.95Å; K873-W876 HydrophobicContact CG-CE3 4.05Å; K873-W876 HydrophobicContact CG-CH2 4.11Å; K873-W876 HydrophobicContact CG-CZ2 4Å; K873-W876 HydrophobicContact CG-CZ3 4.14Å; K873-W876 PolarHBondContact O-N 3.18Å; W876-T878 PolarHBondContact O-N 3.26Å; W876-T878 VanDerWaalsContact O-N 3.09Å; W876-L879 HydrophobicContact CB-CD1 4.46Å; W876-L879 WeakPolarHBondContact O-CB 3.4Å; W876-L879 WeakPolarHBondContact O-CD1 3.31Å; W876-L879 WeakPolarHBondContact O-CG 3.48Å; W876-L879 PolarHBondContact O-N 2.84Å; W876-D907 HydrophobicContact CH2-CB 3.74Å; W876-D907 HydrophobicContact CZ3-CB 4.28Å; W876-F908 AromaticContact CD1-CE2 3.94Å; W876-F908 HydrophobicContact CD2-CD2 4.1Å; W876-F908 AromaticContact CE2-CD2 3.54Å; W876-F908 HydrophobicContact CG-CD2 4.39Å; W876-F908 HydrophobicContact CG-CE2 4.48Å; W876-F908 HydrophobicContact CH2-CB 4.31Å; W876-F908 HydrophobicContact CZ2-CB 4Å; W876-F908 AromaticContact CZ2-CD2 3.84Å; W876-F908 HydrophobicContact CZ2-CD2 3.84Å; W876-F908 HydrophobicContact CZ2-CG 4.4Å; W876-F908 AromaticContact NE1-CD2 3.45Å; W876-F908 AromaticContact NE1-CE2 3.75Å; W876-A911 HydrophobicContact CD2-CB 4.1Å; W876-A911 HydrophobicContact CE3-CB 3.46Å; W876-A911 VanDerWaalsContact CE3-CB 3.46Å; W876-A911 HydrophobicContact CZ3-CB 3.86Å
877	D	87	Confident	91.5	Very high	93 Å²	93	50.4 Å²	50.4	50%	0.497	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18.2	171.5	-67.4	-29	0	0	0	113.2	F875 L879 Y880	F875-D877 PolarHBondContact O-N 3.44Å; D877-L879 PolarHBondContact O-N 2.73Å; D877-Y880 HydrophobicContact CB-CD2 4.36Å; D877-Y880 WeakPolarHBondContact O-CB 3.29Å; D877-Y880 WeakPolarHBondContact O-CD2 3.24Å; D877-Y880 PolarHBondContact O-N 3.01Å
878	T	93.4	Very high	91.3	Very high	2 Å²	2	46 Å²	46	1%	0.012	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.6	172	-48.3	0	0	0	0	112.5	V850 A854 V869 F875 W876 Y880 Y881 F882	V850-T878 HydrophobicContact CG1-CG2 4.32Å; V850-T878 WeakPolarHBondContact CG1-OG1 3.25Å; A854-T878 HydrophobicContact CB-CG2 3.75Å; V869-T878 HydrophobicContact CG2-CG2 4.16Å; F875-T878 WeakPolarHBondContact O-CB 3.36Å; F875-T878 PolarHBondContact O-N 2.81Å; F875-T878 PolarHBondContact O-OG1 2.82Å; W876-T878 PolarHBondContact O-N 3.26Å; W876-T878 VanDerWaalsContact O-N 3.09Å; T878-Y880 PolarHBondContact O-N 2.89Å; T878-Y880 VanDerWaalsContact O-N 3.13Å; T878-Y881 PolarHBondContact O-N 2.83Å; T878-F882 HydrophobicContact CG2-CD2 4.13Å; T878-F882 HydrophobicContact CG2-CE2 3.88Å; T878-F882 WeakPolarHBondContact O-CD2 3.26Å; T878-F882 PolarHBondContact O-N 2.79Å
879	L	95.5	Very high	91.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-30.5	176.5	-65.8	173.4	0	0	0	111.7	L866 W876 D877 Y881 F882 A883 L892 F908 A911 I912 T915	L866-L879 HydrophobicContact CD1-CD2 3.83Å; W876-L879 HydrophobicContact CB-CD1 4.46Å; W876-L879 WeakPolarHBondContact O-CB 3.4Å; W876-L879 WeakPolarHBondContact O-CD1 3.31Å; W876-L879 WeakPolarHBondContact O-CG 3.48Å; W876-L879 PolarHBondContact O-N 2.84Å; D877-L879 PolarHBondContact O-N 2.73Å; L879-Y881 VanDerWaalsContact C-N 3.28Å; L879-Y881 PolarHBondContact O-N 3.48Å; L879-F882 WeakPolarHBondContact O-CB 3.1Å; L879-F882 PolarHBondContact O-N 3.25Å; L879-A883 WeakPolarHBondContact O-CB 3.2Å; L879-A883 PolarHBondContact O-N 3.29Å; L879-L892 HydrophobicContact CD2-CD2 3.81Å; L879-F908 HydrophobicContact CD1-CE2 4.04Å; L879-F908 HydrophobicContact CD2-CE2 4.09Å; L879-F908 HydrophobicContact CD2-CZ 3.96Å; L879-F908 HydrophobicContact CG-CE2 4.46Å; L879-A911 HydrophobicContact CD1-CB 3.95Å; L879-I912 HydrophobicContact CD1-CG1 3.93Å; L879-I912 HydrophobicContact CD2-CG1 4.06Å; L879-T915 HydrophobicContact CB-CG2 3.92Å
880	Y	92	Very high	90.9	Very high	68 Å²	68	51.7 Å²	51.7	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-33.5	174	-66.4	-60.4	0	0	0	113.2	D877 T878 Q884 T915 E918 Y919	D877-Y880 HydrophobicContact CB-CD2 4.36Å; D877-Y880 WeakPolarHBondContact O-CB 3.29Å; D877-Y880 WeakPolarHBondContact O-CD2 3.24Å; D877-Y880 PolarHBondContact O-N 3.01Å; T878-Y880 PolarHBondContact O-N 2.89Å; T878-Y880 VanDerWaalsContact O-N 3.13Å; Y880-Q884 WeakPolarHBondContact O-CG 3.16Å; Y880-Q884 PolarHBondContact O-N 3.23Å; Y880-Q884 PolarHBondContact O-NE2 2.92Å; Y880-T915 HydrophobicContact CD1-CG2 3.66Å; Y880-T915 HydrophobicContact CE1-CG2 4.05Å; Y880-T915 HydrophobicContact CG-CG2 4.31Å; Y880-E918 PolarHBondContact OH-OE2 2.64Å; Y880-Y919 AromaticContact CD1-CD2 3.66Å; Y880-Y919 HydrophobicContact CD1-CD2 3.66Å; Y880-Y919 HydrophobicContact CD1-CE2 4.48Å; Y880-Y919 HydrophobicContact CD1-CG 4.08Å; Y880-Y919 HydrophobicContact CE1-CD2 4.35Å; Y880-Y919 HydrophobicContact CG-CD2 4.41Å
881	Y	92.9	Very high	90.8	Very high	38 Å²	38	49.7 Å²	49.7	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-79.8	-32.4	176	-81.3	-103.6	0	0	0	111.8	L813 L851 T878 L879 Q884 S885	L813-Y881 HydrophobicContact CD1-CE1 4.39Å; L813-Y881 VanDerWaalsContact CD2-OH 3.22Å; L813-Y881 WeakPolarHBondContact CD2-OH 3.18Å; L851-Y881 HydrophobicContact CB-CD2 4.02Å; L851-Y881 HydrophobicContact CB-CE2 3.96Å; L851-Y881 HydrophobicContact CB-CG 4.37Å; L851-Y881 HydrophobicContact CD1-CD2 4.49Å; L851-Y881 HydrophobicContact CD1-CE2 3.86Å; L851-Y881 HydrophobicContact CD2-CD2 3.7Å; L851-Y881 HydrophobicContact CD2-CE2 3.9Å; L851-Y881 HydrophobicContact CG-CD2 4.26Å; L851-Y881 HydrophobicContact CG-CE2 4.11Å; T878-Y881 PolarHBondContact O-N 2.83Å; L879-Y881 VanDerWaalsContact C-N 3.28Å; L879-Y881 PolarHBondContact O-N 3.48Å; Y881-Q884 PolarHBondContact O-N 3.17Å; Y881-S885 PolarHBondContact O-N 3.24Å; Y881-S885 VanDerWaalsContact O-N 3.17Å
882	F	95.1	Very high	90.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-49.5	167.7	-80.2	-91	0	0	0	110.7	A854 M862 H865 L866 V869 T878 L879 Q884 S885 G888 N889 L892	A854-F882 HydrophobicContact CB-CD2 3.88Å; A854-F882 HydrophobicContact CB-CE2 3.8Å; A854-F882 HydrophobicContact CB-CG 4.45Å; A854-F882 HydrophobicContact CB-CZ 4.3Å; M862-F882 HydrophobicContact CB-CE1 4.49Å; M862-F882 HydrophobicContact CE-CD1 3.39Å; M862-F882 HydrophobicContact CE-CE1 3.34Å; M862-F882 HydrophobicContact CE-CG 4.18Å; M862-F882 HydrophobicContact CE-CZ 4.11Å; M862-F882 HydrophobicContact SD-CE1 4.25Å; H865-F882 HydrophobicContact CB-CZ 4.09Å; H865-F882 AromaticContact CD2-CE2 3.73Å; H865-F882 AromaticContact CD2-CZ 3.62Å; L866-F882 HydrophobicContact CB-CE1 3.75Å; L866-F882 HydrophobicContact CB-CZ 3.79Å; L866-F882 HydrophobicContact CD1-CD1 4.31Å; L866-F882 HydrophobicContact CD1-CD2 4.46Å; L866-F882 HydrophobicContact CD1-CE1 4.15Å; L866-F882 HydrophobicContact CD1-CE2 4.29Å; L866-F882 HydrophobicContact CD1-CG 4.49Å; L866-F882 HydrophobicContact CD1-CZ 4.15Å; L866-F882 HydrophobicContact CG-CE1 4.44Å; V869-F882 HydrophobicContact CG2-CE2 4.37Å; T878-F882 HydrophobicContact CG2-CD2 4.13Å; T878-F882 HydrophobicContact CG2-CE2 3.88Å; T878-F882 WeakPolarHBondContact O-CD2 3.26Å; T878-F882 PolarHBondContact O-N 2.79Å; L879-F882 WeakPolarHBondContact O-CB 3.1Å; L879-F882 PolarHBondContact O-N 3.25Å; F882-Q884 PolarHBondContact O-N 3.37Å; F882-Q884 VanDerWaalsContact O-N 3.15Å; F882-S885 PolarHBondContact O-N 2.96Å; F882-S885 VanDerWaalsContact O-O 3.1Å; F882-G888 CarbonylContact O-C 3.34Å; F882-G888 WeakPolarHBondContact O-CA 3.48Å; F882-N889 PolarHBondContact O-N 2.94Å; F882-L892 HydrophobicContact CB-CD1 3.8Å; F882-L892 HydrophobicContact CB-CD2 4.19Å; F882-L892 HydrophobicContact CB-CG 4.02Å
883	A	92.3	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-23.9	179.9	0	0	0	0	0	114.4	L879 N889 L892 T915 L916 Y919 L922 V923	L879-A883 WeakPolarHBondContact O-CB 3.2Å; L879-A883 PolarHBondContact O-N 3.29Å; A883-N889 PolarHBondContact O-ND2 3.08Å; A883-L892 HydrophobicContact CB-CD1 4.1Å; A883-T915 HydrophobicContact CB-CG2 3.98Å; A883-L916 HydrophobicContact CB-CD2 4.17Å; A883-Y919 HydrophobicContact CB-CD1 4.45Å; A883-L922 HydrophobicContact CB-CD1 3.76Å; A883-V923 PolarHBondContact O-N 3.26Å; A883-V923 VanDerWaalsContact O-N 3.09Å
884	Q	89.2	Confident	91.1	Very high	50 Å²	50	36.6 Å²	36.6	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-86.8	-19.8	175.8	-76.7	171.8	80.2	0	0	114.1	Y880 Y881 F882 Y919 V923	Y880-Q884 WeakPolarHBondContact O-CG 3.16Å; Y880-Q884 PolarHBondContact O-N 3.23Å; Y880-Q884 PolarHBondContact O-NE2 2.92Å; Y881-Q884 PolarHBondContact O-N 3.17Å; F882-Q884 PolarHBondContact O-N 3.37Å; F882-Q884 VanDerWaalsContact O-N 3.15Å; Q884-Y919 VanDerWaalsContact CD-CZ 3.42Å; Q884-Y919 HydrophobicContact CG-CD1 4.25Å; Q884-Y919 HydrophobicContact CG-CE1 3.22Å; Q884-Y919 VanDerWaalsContact CG-CZ 3.5Å; Q884-Y919 VanDerWaalsContact CG-OH 3.29Å; Q884-Y919 WeakPolarHBondContact CG-OH 3.32Å; Q884-Y919 PolarHBondContact NE2-OH 3.12Å; Q884-Y919 PolarHBondContact OE1-OH 3.49Å; Q884-Y919 VanDerWaalsContact OE1-OH 3.05Å; Q884-V923 WeakPolarHBondContact O-CG2 3.29Å
885	S	90.4	Very high	91.6	Very high	15 Å²	15	31.3 Å²	31.3	11%	0.105	15%	0.146	C	C	.	.	S	Bend	trans	-88.6	132	178.7	172.3	0	0	0	0	109.1	Y881 F882 V887 G888 N889	Y881-S885 PolarHBondContact O-N 3.24Å; Y881-S885 VanDerWaalsContact O-N 3.17Å; F882-S885 PolarHBondContact O-N 2.96Å; F882-S885 VanDerWaalsContact O-O 3.1Å; S885-V887 PolarHBondContact O-N 3.13Å; S885-V887 PolarHBondContact OG-N 3.23Å; S885-G888 PolarHBondContact O-N 3.29Å; S885-G888 PolarHBondContact OG-N 3.48Å; S885-N889 WeakPolarHBondContact O-CB 3.48Å; S885-N889 PolarHBondContact O-N 2.9Å
886	P	90.3	Very high	91.7	Very high	49 Å²	49	30.2 Å²	30.2	32%	0.318	14%	0.142	S	C	.	.	H	α-helix	trans	-51.8	-43.5	171.5	-31.2	38.5	0	0	0	113.2	V732 L733 R890	V732-P886 HydrophobicContact CG1-CG 4.37Å; V732-P886 HydrophobicContact CG2-CG 3.66Å; L733-P886 HydrophobicContact CD2-CB 3.9Å; P886-R890 PolarHBondContact O-N 3.05Å
887	V	92.5	Very high	91.4	Very high	30 Å²	30	30 Å²	30	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-48.4	177.3	176	0	0	0	0	110.7	V859 M862 S885 N889 R890 L891	V859-V887 HydrophobicContact CB-CG1 4.4Å; V859-V887 HydrophobicContact CG2-CG1 3.96Å; M862-V887 HydrophobicContact CB-CG1 3.98Å; M862-V887 HydrophobicContact CG-CG1 3.89Å; S885-V887 PolarHBondContact O-N 3.13Å; S885-V887 PolarHBondContact OG-N 3.23Å; V887-N889 VanDerWaalsContact C-N 3.34Å; V887-N889 PolarHBondContact O-N 3.12Å; V887-R890 PolarHBondContact O-N 3.11Å; V887-L891 HydrophobicContact CG1-CD1 4.39Å; V887-L891 WeakPolarHBondContact O-CG 3.46Å; V887-L891 PolarHBondContact O-N 3.36Å; V887-L891 VanDerWaalsContact O-N 3.1Å
888	G	93.1	Very high	91.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-42	-178.8	0	0	0	0	0	112.3	F882 S885 L891 L892	F882-G888 CarbonylContact O-C 3.34Å; F882-G888 WeakPolarHBondContact O-CA 3.48Å; S885-G888 PolarHBondContact O-N 3.29Å; S885-G888 PolarHBondContact OG-N 3.48Å; G888-L891 WeakPolarHBondContact O-CB 3.41Å; G888-L891 PolarHBondContact O-N 3.42Å; G888-L891 VanDerWaalsContact O-N 3.16Å; G888-L892 WeakPolarHBondContact O-CG 3.44Å; G888-L892 PolarHBondContact O-N 2.97Å
889	N	91.3	Very high	91.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-52.3	177.6	-177.5	-89.8	0	0	0	110.6	F882 A883 S885 V887 L891 L892 W893 L922 V923 N928	F882-N889 PolarHBondContact O-N 2.94Å; A883-N889 PolarHBondContact O-ND2 3.08Å; S885-N889 WeakPolarHBondContact O-CB 3.48Å; S885-N889 PolarHBondContact O-N 2.9Å; V887-N889 VanDerWaalsContact C-N 3.34Å; V887-N889 PolarHBondContact O-N 3.12Å; N889-L891 VanDerWaalsContact C-N 3.27Å; N889-L891 PolarHBondContact O-N 3Å; N889-L892 WeakPolarHBondContact O-CB 3.43Å; N889-L892 PolarHBondContact O-N 3.03Å; N889-W893 PolarHBondContact O-N 2.66Å; N889-W893 PolarHBondContact OD1-NE1 3.21Å; N889-L922 WeakPolarHBondContact ND2-CD1 3.5Å; N889-V923 HydrophobicContact CB-CB 4.05Å; N889-V923 HydrophobicContact CB-CG1 4.44Å; N889-V923 VanDerWaalsContact CG-O 3.29Å; N889-V923 PolarHBondContact ND2-O 2.88Å; N889-V923 PolarHBondContact OD1-O 2.91Å; N889-N928 PolarHBondContact OD1-ND2 3.47Å
890	R	90.9	Very high	90.8	Very high	147 Å²	147	34.8 Å²	34.8	56%	0.555	17%	0.172	S	C	*	.	H	α-helix	trans	-55.9	-41.8	175.9	-177.6	174	176.2	164.2	3.9	112.1	P886 V887 L892 W893 D894	P886-R890 PolarHBondContact O-N 3.05Å; V887-R890 PolarHBondContact O-N 3.11Å; R890-L892 PolarHBondContact O-N 3.2Å; R890-W893 PolarHBondContact O-N 2.95Å; R890-D894 IonicContact NE-OD2 3.36Å; R890-D894 WeakPolarHBondContact O-CB 3.3Å; R890-D894 PolarHBondContact O-N 3Å
891	L	93	Very high	90.7	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-38.2	176.5	-67.1	176.4	0	0	0	113.1	V859 M862 K863 L866 V887 G888 N889 Y895	V859-L891 HydrophobicContact CG1-CD2 4.47Å; M862-L891 HydrophobicContact CB-CD1 3.55Å; K863-L891 HydrophobicContact CD-CD2 4.18Å; K863-L891 HydrophobicContact CG-CD1 3.98Å; K863-L891 HydrophobicContact CG-CD2 3.55Å; K863-L891 HydrophobicContact CG-CG 4.43Å; L866-L891 HydrophobicContact CD2-CB 4.21Å; V887-L891 HydrophobicContact CG1-CD1 4.39Å; V887-L891 WeakPolarHBondContact O-CG 3.46Å; V887-L891 PolarHBondContact O-N 3.36Å; V887-L891 VanDerWaalsContact O-N 3.1Å; G888-L891 WeakPolarHBondContact O-CB 3.41Å; G888-L891 PolarHBondContact O-N 3.42Å; G888-L891 VanDerWaalsContact O-N 3.16Å; N889-L891 VanDerWaalsContact C-N 3.27Å; N889-L891 PolarHBondContact O-N 3Å; L891-Y895 VanDerWaalsContact O-CB 3.32Å; L891-Y895 WeakPolarHBondContact O-CB 3.41Å; L891-Y895 PolarHBondContact O-N 3.31Å
892	L	93.2	Very high	90.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-41.9	175.9	-63	-177.1	0	0	0	111.4	L866 L879 F882 A883 G888 N889 R890 Y895 L896 I912 L916	L866-L892 HydrophobicContact CD1-CD2 3.95Å; L866-L892 HydrophobicContact CD2-CD2 4.42Å; L879-L892 HydrophobicContact CD2-CD2 3.81Å; F882-L892 HydrophobicContact CB-CD1 3.8Å; F882-L892 HydrophobicContact CB-CD2 4.19Å; F882-L892 HydrophobicContact CB-CG 4.02Å; A883-L892 HydrophobicContact CB-CD1 4.1Å; G888-L892 WeakPolarHBondContact O-CG 3.44Å; G888-L892 PolarHBondContact O-N 2.97Å; N889-L892 WeakPolarHBondContact O-CB 3.43Å; N889-L892 PolarHBondContact O-N 3.03Å; R890-L892 PolarHBondContact O-N 3.2Å; L892-Y895 WeakPolarHBondContact O-CB 3.21Å; L892-Y895 PolarHBondContact O-N 3.21Å; L892-L896 WeakPolarHBondContact O-CG 3.3Å; L892-L896 PolarHBondContact O-N 2.78Å; L892-I912 HydrophobicContact CB-CG2 4.04Å; L892-I912 HydrophobicContact CD2-CD1 4.13Å; L892-I912 HydrophobicContact CD2-CG1 4.15Å; L892-I912 HydrophobicContact CD2-CG2 4.2Å; L892-I912 HydrophobicContact CG-CG2 4.46Å; L892-L916 HydrophobicContact CB-CD2 4.48Å; L892-L916 HydrophobicContact CD1-CD2 3.98Å
893	W	90.3	Very high	90	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-42.2	176	-74.8	102.7	0	0	0	112.3	N889 R890 Y895 L896 S897 N928 I932 L952	N889-W893 PolarHBondContact O-N 2.66Å; N889-W893 PolarHBondContact OD1-NE1 3.21Å; R890-W893 PolarHBondContact O-N 2.95Å; W893-Y895 VanDerWaalsContact C-N 3.27Å; W893-Y895 PolarHBondContact O-N 3.34Å; W893-L896 CarbonylContact O-C 3.58Å; W893-L896 PolarHBondContact O-N 3.23Å; W893-S897 PolarHBondContact O-N 3.36Å; W893-S897 PolarHBondContact O-OG 2.78Å; W893-N928 HydrophobicContact CB-CB 3.85Å; W893-N928 HydrophobicContact CD2-CB 3.56Å; W893-N928 HydrophobicContact CE3-CB 3.91Å; W893-N928 VanDerWaalsContact CE3-O 3.25Å; W893-N928 HydrophobicContact CG-CB 3.5Å; W893-N928 VanDerWaalsContact CG-CB 3.5Å; W893-I932 HydrophobicContact CD2-CD1 4.38Å; W893-I932 HydrophobicContact CE3-CD1 3.28Å; W893-I932 HydrophobicContact CE3-CG1 3.71Å; W893-I932 HydrophobicContact CH2-CD1 4.32Å; W893-I932 HydrophobicContact CZ3-CB 4.39Å; W893-I932 HydrophobicContact CZ3-CD1 3.25Å; W893-I932 HydrophobicContact CZ3-CG1 3.8Å; W893-L952 HydrophobicContact CH2-CD1 4.09Å; W893-L952 HydrophobicContact CH2-CD2 3.87Å; W893-L952 HydrophobicContact CH2-CG 3.87Å; W893-L952 HydrophobicContact CZ2-CD1 4.2Å; W893-L952 HydrophobicContact CZ2-CD2 4.41Å; W893-L952 HydrophobicContact CZ2-CG 4.44Å; W893-L952 HydrophobicContact CZ3-CD2 4.18Å
894	D	89.3	Confident	89.9	Confident	61 Å²	61	41.3 Å²	41.3	33%	0.326	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-38.5	174.5	-68.8	-15.6	0	0	0	110.6	R890 S897 K931	R890-D894 IonicContact NE-OD2 3.36Å; R890-D894 WeakPolarHBondContact O-CB 3.3Å; R890-D894 PolarHBondContact O-N 3Å; D894-S897 WeakPolarHBondContact O-CB 3.34Å; D894-S897 PolarHBondContact O-N 3.19Å; D894-K931 IonicContact OD1-NZ 2.94Å; D894-K931 PolarHBondContact OD1-NZ 2.95Å
895	Y	91.4	Very high	89.9	Confident	23 Å²	23	42.3 Å²	42.3	9%	0.09	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.3	-173.3	-83.3	0	0	0	112.4	L891 L892 W893 S897 D898 N901 Q905 F908 I912	L891-Y895 VanDerWaalsContact O-CB 3.32Å; L891-Y895 WeakPolarHBondContact O-CB 3.41Å; L891-Y895 PolarHBondContact O-N 3.31Å; L892-Y895 WeakPolarHBondContact O-CB 3.21Å; L892-Y895 PolarHBondContact O-N 3.21Å; W893-Y895 VanDerWaalsContact C-N 3.27Å; W893-Y895 PolarHBondContact O-N 3.34Å; Y895-S897 PolarHBondContact O-N 3.44Å; Y895-D898 PolarHBondContact O-N 3.32Å; Y895-N901 HydrophobicContact CD1-CB 4.11Å; Y895-N901 HydrophobicContact CE1-CB 3.53Å; Y895-N901 HydrophobicContact CE2-CB 4.41Å; Y895-N901 PolarHBondContact O-ND2 3.3Å; Y895-N901 PolarHBondContact OH-OD1 3.49Å; Y895-Q905 VanDerWaalsContact OH-CB 3.28Å; Y895-Q905 WeakPolarHBondContact OH-CB 3.44Å; Y895-F908 HydrophobicContact CE1-CD1 4.05Å; Y895-F908 HydrophobicContact CE1-CE1 4.44Å; Y895-F908 HydrophobicContact CE2-CD1 4.18Å; Y895-F908 HydrophobicContact CE2-CE1 4.12Å; Y895-F908 AromaticContact CZ-CD1 3.65Å; Y895-F908 WeakPolarHBondContact OH-CD1 3.4Å; Y895-I912 HydrophobicContact CD1-CD1 3.39Å; Y895-I912 HydrophobicContact CE1-CD1 3.71Å; Y895-I912 HydrophobicContact CG-CD1 3.93Å
896	L	90.1	Very high	89.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4	176.5	-66.2	-179.5	0	0	0	114	L892 W893 D898 F902 T909 I912 L913 L916 I932 L952	L892-L896 WeakPolarHBondContact O-CG 3.3Å; L892-L896 PolarHBondContact O-N 2.78Å; W893-L896 CarbonylContact O-C 3.58Å; W893-L896 PolarHBondContact O-N 3.23Å; L896-D898 VanDerWaalsContact C-N 3.34Å; L896-F902 HydrophobicContact CB-CZ 4.28Å; L896-F902 HydrophobicContact CD2-CE1 4.41Å; L896-F902 HydrophobicContact CD2-CZ 3.96Å; L896-F902 WeakPolarHBondContact O-CE2 3.34Å; L896-F902 WeakPolarHBondContact O-CZ 3.23Å; L896-T909 HydrophobicContact CD2-CG2 3.77Å; L896-I912 HydrophobicContact CD1-CG2 3.88Å; L896-I912 HydrophobicContact CD2-CB 4.43Å; L896-I912 HydrophobicContact CD2-CG2 4.11Å; L896-I912 HydrophobicContact CG-CG2 3.97Å; L896-L913 HydrophobicContact CD1-CD2 3.82Å; L896-L913 HydrophobicContact CD1-CG 4.44Å; L896-L913 HydrophobicContact CD2-CD2 4.22Å; L896-L913 HydrophobicContact CD2-CG 4.15Å; L896-L916 HydrophobicContact CD1-CD1 3.47Å; L896-L916 VanDerWaalsContact CD1-CD1 3.47Å; L896-I932 HydrophobicContact CB-CD1 3.54Å; L896-I932 HydrophobicContact CB-CG1 4.05Å; L896-I932 HydrophobicContact CD1-CD1 3.63Å; L896-I932 HydrophobicContact CG-CD1 4.25Å; L896-L952 HydrophobicContact CD1-CD2 4.22Å
897	S	86.9	Confident	90	Very high	40 Å²	40	45.6 Å²	45.6	28%	0.28	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.5	175.5	-51.3	0	0	0	0	112.2	W893 D894 Y895 K931	W893-S897 PolarHBondContact O-N 3.36Å; W893-S897 PolarHBondContact O-OG 2.78Å; D894-S897 WeakPolarHBondContact O-CB 3.34Å; D894-S897 PolarHBondContact O-N 3.19Å; Y895-S897 PolarHBondContact O-N 3.44Å; S897-K931 WeakPolarHBondContact OG-CB 3.49Å
898	D	88.2	Confident	90.1	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	22%	0.221	S	C	.	.			trans	-101.8	113.4	-178.5	177.8	2.9	0	0	0	109.5	Y895 L896 D900 N901 F902	Y895-D898 PolarHBondContact O-N 3.32Å; L896-D898 VanDerWaalsContact C-N 3.34Å; D898-D900 PolarHBondContact O-N 2.85Å; D898-D900 WeakPolarHBondContact OD1-CB 3.23Å; D898-D900 PolarHBondContact OD1-N 3.46Å; D898-N901 WeakPolarHBondContact CB-ND2 3.16Å; D898-N901 WeakPolarHBondContact O-CB 3.38Å; D898-N901 PolarHBondContact O-N 2.64Å; D898-N901 PolarHBondContact OD2-ND2 2.9Å; D898-F902 WeakPolarHBondContact O-CD2 3.46Å
899	I	85.3	Confident	90.1	Very high	45 Å²	45	44.4 Å²	44.4	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-31.3	-177	-167.5	165.5	0	0	0	112.5	N901 F902 V903 S938 Q940 I941	I899-N901 PolarHBondContact O-N 3.08Å; I899-F902 WeakPolarHBondContact O-CB 3.28Å; I899-F902 PolarHBondContact O-N 3.03Å; I899-V903 PolarHBondContact O-N 2.75Å; I899-S938 VanDerWaalsContact CD1-CB 3.47Å; I899-S938 WeakPolarHBondContact CD1-OG 3.22Å; I899-Q940 HydrophobicContact CD1-CB 4.21Å; I899-I941 HydrophobicContact CG1-CG1 4.44Å
900	D	88.8	Confident	90.3	Very high	84 Å²	84	46.5 Å²	46.5	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-30.7	-178.8	-66.8	-21.6	0	0	0	110.4	D898 F902 V903 E904	D898-D900 PolarHBondContact O-N 2.85Å; D898-D900 WeakPolarHBondContact OD1-CB 3.23Å; D898-D900 PolarHBondContact OD1-N 3.46Å; D900-F902 VanDerWaalsContact C-N 3.3Å; D900-F902 PolarHBondContact O-N 2.83Å; D900-V903 PolarHBondContact O-N 3.21Å; D900-E904 WeakPolarHBondContact O-CB 3.39Å; D900-E904 WeakPolarHBondContact O-CG 3.19Å; D900-E904 PolarHBondContact O-N 3.02Å
901	N	90.4	Very high	90.4	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-27.3	175.6	-70.1	-44.2	0	0	0	113.5	Y895 D898 I899 V903 Q905 T909	Y895-N901 HydrophobicContact CD1-CB 4.11Å; Y895-N901 HydrophobicContact CE1-CB 3.53Å; Y895-N901 HydrophobicContact CE2-CB 4.41Å; Y895-N901 PolarHBondContact O-ND2 3.3Å; Y895-N901 PolarHBondContact OH-OD1 3.49Å; D898-N901 WeakPolarHBondContact CB-ND2 3.16Å; D898-N901 WeakPolarHBondContact O-CB 3.38Å; D898-N901 PolarHBondContact O-N 2.64Å; D898-N901 PolarHBondContact OD2-ND2 2.9Å; I899-N901 PolarHBondContact O-N 3.08Å; N901-V903 VanDerWaalsContact C-N 3.33Å; N901-Q905 CarbonylContact O-C 3.54Å; N901-Q905 WeakPolarHBondContact O-CA 3.4Å; N901-Q905 WeakPolarHBondContact O-CB 3.16Å; N901-Q905 PolarHBondContact O-N 3.11Å; N901-T909 PolarHBondContact O-OG1 2.89Å
902	F	88	Confident	90.5	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-73	-31.8	175.8	-68.7	-97.6	0	0	0	111.7	L896 D898 I899 D900 T909 L913 T935 I941 L945 I949	L896-F902 HydrophobicContact CB-CZ 4.28Å; L896-F902 HydrophobicContact CD2-CE1 4.41Å; L896-F902 HydrophobicContact CD2-CZ 3.96Å; L896-F902 WeakPolarHBondContact O-CE2 3.34Å; L896-F902 WeakPolarHBondContact O-CZ 3.23Å; D898-F902 WeakPolarHBondContact O-CD2 3.46Å; I899-F902 WeakPolarHBondContact O-CB 3.28Å; I899-F902 PolarHBondContact O-N 3.03Å; D900-F902 VanDerWaalsContact C-N 3.3Å; D900-F902 PolarHBondContact O-N 2.83Å; F902-T909 HydrophobicContact CD1-CG2 3.56Å; F902-T909 HydrophobicContact CD2-CG2 4.47Å; F902-T909 HydrophobicContact CE1-CG2 3.63Å; F902-T909 HydrophobicContact CG-CG2 4.01Å; F902-T909 HydrophobicContact CZ-CG2 4.16Å; F902-L913 HydrophobicContact CE1-CD1 4.35Å; F902-T935 HydrophobicContact CE2-CG2 4.29Å; F902-I941 HydrophobicContact CB-CD1 4.41Å; F902-I941 HydrophobicContact CB-CG1 4.07Å; F902-I941 HydrophobicContact CB-CG2 4.42Å; F902-I941 HydrophobicContact CD1-CD1 4.05Å; F902-I941 HydrophobicContact CD1-CG1 4.41Å; F902-I941 HydrophobicContact CD1-CG2 3.88Å; F902-I941 HydrophobicContact CD2-CD1 4.33Å; F902-I941 HydrophobicContact CE1-CD1 4.43Å; F902-I941 HydrophobicContact CG-CD1 4Å; F902-I941 HydrophobicContact CG-CG1 4.2Å; F902-I941 HydrophobicContact CG-CG2 4.41Å; F902-L945 HydrophobicContact CD1-CD1 4.05Å; F902-I949 HydrophobicContact CD1-CD1 4.49Å; F902-I949 HydrophobicContact CE1-CD1 3.71Å; F902-I949 HydrophobicContact CE1-CG1 4.3Å; F902-I949 HydrophobicContact CZ-CD1 4.18Å
903	V	86	Confident	90.5	Very high	81 Å²	81	39.7 Å²	39.7	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-87.4	-52.8	-178.3	-177	0	0	0	0	110.9	I899 D900 N901 Q940	I899-V903 PolarHBondContact O-N 2.75Å; D900-V903 PolarHBondContact O-N 3.21Å; N901-V903 VanDerWaalsContact C-N 3.33Å; V903-Q940 HydrophobicContact CG2-CB 4.27Å
904	E	88.8	Confident	90.6	Very high	140 Å²	140	41.5 Å²	41.5	65%	0.654	22%	0.216	S	C	*	.	H	α-helix	trans	-80.9	-22.5	-172.9	-61.4	-169.3	163.9	0	0	113.7	D900	D900-E904 WeakPolarHBondContact O-CB 3.39Å; D900-E904 WeakPolarHBondContact O-CG 3.19Å; D900-E904 PolarHBondContact O-N 3.02Å
905	Q	90.4	Very high	90.8	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	37.7	-169.3	-59.6	-69.6	-41.1	0	0	112.5	Y895 N901 D907 F908 T909	Y895-Q905 VanDerWaalsContact OH-CB 3.28Å; Y895-Q905 WeakPolarHBondContact OH-CB 3.44Å; N901-Q905 CarbonylContact O-C 3.54Å; N901-Q905 WeakPolarHBondContact O-CA 3.4Å; N901-Q905 WeakPolarHBondContact O-CB 3.16Å; N901-Q905 PolarHBondContact O-N 3.11Å; Q905-D907 VanDerWaalsContact C-N 3.29Å; Q905-D907 PolarHBondContact O-N 3.35Å; Q905-D907 VanDerWaalsContact O-N 3.09Å; Q905-F908 PolarHBondContact O-N 2.84Å; Q905-F908 VanDerWaalsContact O-N 3.08Å; Q905-T909 PolarHBondContact O-N 3.22Å; Q905-T909 PolarHBondContact O-OG1 2.96Å; Q905-T909 VanDerWaalsContact O-OG1 3.14Å
906	K	90.4	Very high	90.8	Very high	46 Å²	46	37.8 Å²	37.8	20%	0.2	20%	0.198	C	C	.	.	H	α-helix	trans	-42	-49.4	-174	-169.9	-177.5	170.3	-179.1	0	113.6	D55 T909 K910 D942 L945	D55-K906 IonicContact OD2-NZ 2.85Å; K906-T909 PolarHBondContact O-N 3.28Å; K906-K910 WeakPolarHBondContact O-CB 3.37Å; K906-K910 PolarHBondContact O-N 2.75Å; K906-D942 WeakPolarHBondContact CE-OD2 3.45Å; K906-D942 VanDerWaalsContact NZ-CG 3.27Å; K906-D942 IonicContact NZ-OD1 3.79Å; K906-D942 IonicContact NZ-OD2 3.65Å; K906-D942 PolarHBondContact NZ-OD2 2.81Å; K906-L945 HydrophobicContact CG-CD1 3.9Å
907	D	91.5	Very high	90.8	Very high	87 Å²	87	39.7 Å²	39.7	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-42.5	-176.1	-70.2	-16.3	0	0	0	113.7	W876 Q905 K910 A911	W876-D907 HydrophobicContact CH2-CB 3.74Å; W876-D907 HydrophobicContact CZ3-CB 4.28Å; Q905-D907 VanDerWaalsContact C-N 3.29Å; Q905-D907 PolarHBondContact O-N 3.35Å; Q905-D907 VanDerWaalsContact O-N 3.09Å; D907-K910 WeakPolarHBondContact O-CB 3.12Å; D907-K910 PolarHBondContact O-N 2.83Å; D907-A911 PolarHBondContact O-N 3.34Å
908	F	95.2	Very high	90.7	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-39.4	178.3	-174.1	-117.3	0	0	0	110.5	L866 V869 K870 W876 L879 Y895 Q905 K910 A911 I912	L866-F908 HydrophobicContact CD1-CE1 4.46Å; L866-F908 HydrophobicContact CD1-CZ 3.93Å; V869-F908 HydrophobicContact CG1-CE2 4.35Å; K870-F908 HydrophobicContact CB-CD1 4.08Å; K870-F908 HydrophobicContact CB-CD2 4.42Å; K870-F908 HydrophobicContact CB-CE1 3.72Å; K870-F908 HydrophobicContact CB-CE2 4.1Å; K870-F908 HydrophobicContact CB-CG 4.4Å; K870-F908 HydrophobicContact CB-CZ 3.72Å; K870-F908 HydrophobicContact CD-CD1 4.06Å; K870-F908 HydrophobicContact CD-CE1 4.16Å; K870-F908 HydrophobicContact CG-CD1 3.74Å; K870-F908 HydrophobicContact CG-CD2 4.48Å; K870-F908 HydrophobicContact CG-CE1 3.89Å; K870-F908 HydrophobicContact CG-CG 4.04Å; K870-F908 HydrophobicContact CG-CZ 4.32Å; W876-F908 AromaticContact CD1-CE2 3.94Å; W876-F908 HydrophobicContact CD2-CD2 4.1Å; W876-F908 AromaticContact CE2-CD2 3.54Å; W876-F908 HydrophobicContact CG-CD2 4.39Å; W876-F908 HydrophobicContact CG-CE2 4.48Å; W876-F908 HydrophobicContact CH2-CB 4.31Å; W876-F908 HydrophobicContact CZ2-CB 4Å; W876-F908 AromaticContact CZ2-CD2 3.84Å; W876-F908 HydrophobicContact CZ2-CD2 3.84Å; W876-F908 HydrophobicContact CZ2-CG 4.4Å; W876-F908 AromaticContact NE1-CD2 3.45Å; W876-F908 AromaticContact NE1-CE2 3.75Å; L879-F908 HydrophobicContact CD1-CE2 4.04Å; L879-F908 HydrophobicContact CD2-CE2 4.09Å; L879-F908 HydrophobicContact CD2-CZ 3.96Å; L879-F908 HydrophobicContact CG-CE2 4.46Å; Y895-F908 HydrophobicContact CE1-CD1 4.05Å; Y895-F908 HydrophobicContact CE1-CE1 4.44Å; Y895-F908 HydrophobicContact CE2-CD1 4.18Å; Y895-F908 HydrophobicContact CE2-CE1 4.12Å; Y895-F908 AromaticContact CZ-CD1 3.65Å; Y895-F908 WeakPolarHBondContact OH-CD1 3.4Å; Q905-F908 PolarHBondContact O-N 2.84Å; Q905-F908 VanDerWaalsContact O-N 3.08Å; F908-K910 VanDerWaalsContact C-N 3.33Å; F908-K910 PolarHBondContact O-N 3.02Å; F908-A911 WeakPolarHBondContact O-CB 3.33Å; F908-A911 PolarHBondContact O-N 2.85Å; F908-A911 VanDerWaalsContact O-N 3.14Å; F908-I912 HydrophobicContact CD1-CD1 3.97Å; F908-I912 HydrophobicContact CE1-CD1 3.69Å; F908-I912 HydrophobicContact CE1-CG1 4.37Å; F908-I912 HydrophobicContact CZ-CD1 4.19Å; F908-I912 HydrophobicContact CZ-CG1 4.47Å; F908-I912 WeakPolarHBondContact O-CG1 3.2Å; F908-I912 PolarHBondContact O-N 3.47Å
909	T	93.8	Very high	90.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-43.3	172.2	-59.8	0	0	0	0	111.4	L896 N901 F902 Q905 K906 A911 I912 L913 L945	L896-T909 HydrophobicContact CD2-CG2 3.77Å; N901-T909 PolarHBondContact O-OG1 2.89Å; F902-T909 HydrophobicContact CD1-CG2 3.56Å; F902-T909 HydrophobicContact CD2-CG2 4.47Å; F902-T909 HydrophobicContact CE1-CG2 3.63Å; F902-T909 HydrophobicContact CG-CG2 4.01Å; F902-T909 HydrophobicContact CZ-CG2 4.16Å; Q905-T909 PolarHBondContact O-N 3.22Å; Q905-T909 PolarHBondContact O-OG1 2.96Å; Q905-T909 VanDerWaalsContact O-OG1 3.14Å; K906-T909 PolarHBondContact O-N 3.28Å; T909-A911 VanDerWaalsContact C-N 3.34Å; T909-A911 PolarHBondContact O-N 3.31Å; T909-I912 PolarHBondContact O-N 3.25Å; T909-L913 HydrophobicContact CG2-CD1 4.35Å; T909-L913 WeakPolarHBondContact O-CG 3.34Å; T909-L913 PolarHBondContact O-N 3.44Å; T909-L945 HydrophobicContact CG2-CD1 4.45Å
910	K	93.7	Very high	90	Very high	46 Å²	46	44.8 Å²	44.8	20%	0.2	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-42.3	173.1	-173.5	169.7	175.8	166.1	0	112	K906 D907 F908 L913 N914 E944 L945 K948	K906-K910 WeakPolarHBondContact O-CB 3.37Å; K906-K910 PolarHBondContact O-N 2.75Å; D907-K910 WeakPolarHBondContact O-CB 3.12Å; D907-K910 PolarHBondContact O-N 2.83Å; F908-K910 VanDerWaalsContact C-N 3.33Å; F908-K910 PolarHBondContact O-N 3.02Å; K910-L913 PolarHBondContact O-N 2.99Å; K910-N914 WeakPolarHBondContact O-CB 3.21Å; K910-N914 PolarHBondContact O-N 3.46Å; K910-N914 PolarHBondContact O-ND2 3.09Å; K910-N914 PolarHBondContact O-OD1 3.09Å; K910-E944 WeakPolarHBondContact CE-OE1 3.46Å; K910-E944 IonicContact NZ-OE1 3.6Å; K910-E944 PolarHBondContact NZ-OE1 3.37Å; K910-E944 IonicContact NZ-OE2 2.8Å; K910-E944 PolarHBondContact NZ-OE2 3.2Å; K910-L945 HydrophobicContact CB-CD2 3.86Å; K910-L945 HydrophobicContact CG-CD2 4.16Å; K910-K948 HydrophobicContact CG-CD 4.35Å
911	A	94.1	Very high	89.5	Confident	15 Å²	15	42.2 Å²	42.2	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-40.5	177.1	0	0	0	0	0	112.7	W876 L879 D907 F908 T909 T915	W876-A911 HydrophobicContact CD2-CB 4.1Å; W876-A911 HydrophobicContact CE3-CB 3.46Å; W876-A911 VanDerWaalsContact CE3-CB 3.46Å; W876-A911 HydrophobicContact CZ3-CB 3.86Å; L879-A911 HydrophobicContact CD1-CB 3.95Å; D907-A911 PolarHBondContact O-N 3.34Å; F908-A911 WeakPolarHBondContact O-CB 3.33Å; F908-A911 PolarHBondContact O-N 2.85Å; F908-A911 VanDerWaalsContact O-N 3.14Å; T909-A911 VanDerWaalsContact C-N 3.34Å; T909-A911 PolarHBondContact O-N 3.31Å; A911-T915 WeakPolarHBondContact O-CB 3.37Å; A911-T915 PolarHBondContact O-N 2.85Å; A911-T915 PolarHBondContact O-OG1 3.01Å
912	I	94.8	Very high	89.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-49.1	173.6	-65	172.9	0	0	0	110.3	L879 L892 Y895 L896 F908 T909 N914 T915 L916	L879-I912 HydrophobicContact CD1-CG1 3.93Å; L879-I912 HydrophobicContact CD2-CG1 4.06Å; L892-I912 HydrophobicContact CB-CG2 4.04Å; L892-I912 HydrophobicContact CD2-CD1 4.13Å; L892-I912 HydrophobicContact CD2-CG1 4.15Å; L892-I912 HydrophobicContact CD2-CG2 4.2Å; L892-I912 HydrophobicContact CG-CG2 4.46Å; Y895-I912 HydrophobicContact CD1-CD1 3.39Å; Y895-I912 HydrophobicContact CE1-CD1 3.71Å; Y895-I912 HydrophobicContact CG-CD1 3.93Å; L896-I912 HydrophobicContact CD1-CG2 3.88Å; L896-I912 HydrophobicContact CD2-CB 4.43Å; L896-I912 HydrophobicContact CD2-CG2 4.11Å; L896-I912 HydrophobicContact CG-CG2 3.97Å; F908-I912 HydrophobicContact CD1-CD1 3.97Å; F908-I912 HydrophobicContact CE1-CD1 3.69Å; F908-I912 HydrophobicContact CE1-CG1 4.37Å; F908-I912 HydrophobicContact CZ-CD1 4.19Å; F908-I912 HydrophobicContact CZ-CG1 4.47Å; F908-I912 WeakPolarHBondContact O-CG1 3.2Å; F908-I912 PolarHBondContact O-N 3.47Å; T909-I912 PolarHBondContact O-N 3.25Å; I912-N914 VanDerWaalsContact C-N 3.35Å; I912-N914 PolarHBondContact O-N 3.42Å; I912-T915 WeakPolarHBondContact O-CB 3.33Å; I912-T915 PolarHBondContact O-N 2.68Å; I912-T915 VanDerWaalsContact O-N 3.16Å; I912-L916 HydrophobicContact CG2-CD1 3.92Å; I912-L916 HydrophobicContact CG2-CG 4.23Å; I912-L916 WeakPolarHBondContact O-CG 3.48Å; I912-L916 PolarHBondContact O-N 3Å
913	L	93.3	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-46.8	178.7	-73.6	168.9	0	0	0	111.5	L896 F902 T909 K910 T915 L916 I917 L945 K948 I949 L952	L896-L913 HydrophobicContact CD1-CD2 3.82Å; L896-L913 HydrophobicContact CD1-CG 4.44Å; L896-L913 HydrophobicContact CD2-CD2 4.22Å; L896-L913 HydrophobicContact CD2-CG 4.15Å; F902-L913 HydrophobicContact CE1-CD1 4.35Å; T909-L913 HydrophobicContact CG2-CD1 4.35Å; T909-L913 WeakPolarHBondContact O-CG 3.34Å; T909-L913 PolarHBondContact O-N 3.44Å; K910-L913 PolarHBondContact O-N 2.99Å; L913-T915 VanDerWaalsContact C-N 3.34Å; L913-T915 PolarHBondContact O-N 3Å; L913-L916 PolarHBondContact O-N 2.97Å; L913-I917 HydrophobicContact CB-CD1 4.4Å; L913-I917 WeakPolarHBondContact O-CB 3.47Å; L913-I917 VanDerWaalsContact O-CD1 3.3Å; L913-I917 WeakPolarHBondContact O-CD1 3.24Å; L913-I917 WeakPolarHBondContact O-CG1 3.38Å; L913-I917 PolarHBondContact O-N 2.79Å; L913-L945 HydrophobicContact CD1-CB 4.38Å; L913-L945 HydrophobicContact CD1-CD2 3.99Å; L913-K948 HydrophobicContact CB-CB 4.24Å; L913-K948 HydrophobicContact CB-CD 4.41Å; L913-K948 HydrophobicContact CD1-CB 4.03Å; L913-I949 HydrophobicContact CD1-CG1 4.45Å; L913-I949 HydrophobicContact CD2-CG1 4.15Å; L913-L952 HydrophobicContact CD2-CD2 3.9Å
914	N	92.7	Very high	88.1	Confident	40 Å²	40	38.5 Å²	38.5	21%	0.214	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-47.7	175.7	-69.9	-13.2	0	0	0	111.2	K910 I912 L916 I917 E918 K948	K910-N914 WeakPolarHBondContact O-CB 3.21Å; K910-N914 PolarHBondContact O-N 3.46Å; K910-N914 PolarHBondContact O-ND2 3.09Å; K910-N914 PolarHBondContact O-OD1 3.09Å; I912-N914 VanDerWaalsContact C-N 3.35Å; I912-N914 PolarHBondContact O-N 3.42Å; N914-L916 PolarHBondContact O-N 3.09Å; N914-I917 PolarHBondContact O-N 2.99Å; N914-E918 VanDerWaalsContact O-CB 3.27Å; N914-E918 WeakPolarHBondContact O-CB 3.2Å; N914-E918 VanDerWaalsContact O-CG 3.29Å; N914-E918 WeakPolarHBondContact O-CG 3.29Å; N914-E918 PolarHBondContact O-N 3.39Å; N914-K948 PolarHBondContact OD1-NZ 3.3Å
915	T	93.2	Very high	87.2	Confident	6 Å²	6	33.4 Å²	33.4	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-50.7	176.7	-62.8	0	0	0	0	111.2	L879 Y880 A883 A911 I912 L913 I917 Y919	L879-T915 HydrophobicContact CB-CG2 3.92Å; Y880-T915 HydrophobicContact CD1-CG2 3.66Å; Y880-T915 HydrophobicContact CE1-CG2 4.05Å; Y880-T915 HydrophobicContact CG-CG2 4.31Å; A883-T915 HydrophobicContact CB-CG2 3.98Å; A911-T915 WeakPolarHBondContact O-CB 3.37Å; A911-T915 PolarHBondContact O-N 2.85Å; A911-T915 PolarHBondContact O-OG1 3.01Å; I912-T915 WeakPolarHBondContact O-CB 3.33Å; I912-T915 PolarHBondContact O-N 2.68Å; I912-T915 VanDerWaalsContact O-N 3.16Å; L913-T915 VanDerWaalsContact C-N 3.34Å; L913-T915 PolarHBondContact O-N 3Å; T915-I917 PolarHBondContact O-N 3.41Å; T915-Y919 WeakPolarHBondContact O-CB 3.22Å; T915-Y919 PolarHBondContact O-N 2.84Å
916	L	91.4	Very high	86.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.8	-34.9	-177.7	-61	177.3	0	0	0	112.3	A883 L892 L896 I912 L913 N914 L922 L952 K955	A883-L916 HydrophobicContact CB-CD2 4.17Å; L892-L916 HydrophobicContact CB-CD2 4.48Å; L892-L916 HydrophobicContact CD1-CD2 3.98Å; L896-L916 HydrophobicContact CD1-CD1 3.47Å; L896-L916 VanDerWaalsContact CD1-CD1 3.47Å; I912-L916 HydrophobicContact CG2-CD1 3.92Å; I912-L916 HydrophobicContact CG2-CG 4.23Å; I912-L916 WeakPolarHBondContact O-CG 3.48Å; I912-L916 PolarHBondContact O-N 3Å; L913-L916 PolarHBondContact O-N 2.97Å; N914-L916 PolarHBondContact O-N 3.09Å; L916-L922 HydrophobicContact CB-CD2 4.42Å; L916-L922 HydrophobicContact CD2-CD1 3.34Å; L916-L922 HydrophobicContact CD2-CD2 4.38Å; L916-L952 HydrophobicContact CB-CD1 3.62Å; L916-L952 HydrophobicContact CB-CD2 4.2Å; L916-L952 HydrophobicContact CD1-CD2 3.93Å; L916-K955 PolarHBondContact O-NZ 2.7Å
917	I	89.4	Confident	85.2	Confident	39 Å²	39	33.4 Å²	33.4	20%	0.2	17%	0.173	C	C	.	.	H	α-helix	trans	-73.3	-43.2	178.6	-67.4	162.4	0	0	0	111.6	L913 N914 T915 K948 K951 L952 K955	L913-I917 HydrophobicContact CB-CD1 4.4Å; L913-I917 WeakPolarHBondContact O-CB 3.47Å; L913-I917 VanDerWaalsContact O-CD1 3.3Å; L913-I917 WeakPolarHBondContact O-CD1 3.24Å; L913-I917 WeakPolarHBondContact O-CG1 3.38Å; L913-I917 PolarHBondContact O-N 2.79Å; N914-I917 PolarHBondContact O-N 2.99Å; T915-I917 PolarHBondContact O-N 3.41Å; I917-K948 HydrophobicContact CD1-CB 3.8Å; I917-K948 HydrophobicContact CD1-CG 4.24Å; I917-K948 WeakPolarHBondContact CD1-O 3.47Å; I917-K951 HydrophobicContact CD1-CB 4.28Å; I917-L952 HydrophobicContact CD1-CB 4.44Å; I917-L952 HydrophobicContact CG1-CB 3.88Å; I917-L952 HydrophobicContact CG1-CD1 4.41Å; I917-K955 VanDerWaalsContact C-NZ 3.26Å; I917-K955 WeakPolarHBondContact O-CD 3.5Å; I917-K955 WeakPolarHBondContact O-CE 3.48Å; I917-K955 PolarHBondContact O-NZ 3.12Å
918	E	84.4	Confident	84.2	Confident	117 Å²	117	29.3 Å²	29.3	55%	0.547	15%	0.151	S	C	.	.	H	α-helix	trans	-83	-34.1	-173.7	-67.7	167.4	-172	0	0	111.7	Y880 N914 R920	Y880-E918 PolarHBondContact OH-OE2 2.64Å; N914-E918 VanDerWaalsContact O-CB 3.27Å; N914-E918 WeakPolarHBondContact O-CB 3.2Å; N914-E918 VanDerWaalsContact O-CG 3.29Å; N914-E918 WeakPolarHBondContact O-CG 3.29Å; N914-E918 PolarHBondContact O-N 3.39Å; E918-R920 PolarHBondContact O-N 3.29Å
919	Y	82.8	Confident	83	Confident	34 Å²	34	30.5 Å²	30.5	13%	0.133	16%	0.156	C	C	.	.			trans	-76.9	118.9	-168.6	-165.9	-106.2	0	0	0	113.5	R725 Y880 A883 Q884 T915 L922 K955	R725-Y919 PolarHBondContact NH2-OH 3.45Å; Y880-Y919 AromaticContact CD1-CD2 3.66Å; Y880-Y919 HydrophobicContact CD1-CD2 3.66Å; Y880-Y919 HydrophobicContact CD1-CE2 4.48Å; Y880-Y919 HydrophobicContact CD1-CG 4.08Å; Y880-Y919 HydrophobicContact CE1-CD2 4.35Å; Y880-Y919 HydrophobicContact CG-CD2 4.41Å; A883-Y919 HydrophobicContact CB-CD1 4.45Å; Q884-Y919 VanDerWaalsContact CD-CZ 3.42Å; Q884-Y919 HydrophobicContact CG-CD1 4.25Å; Q884-Y919 HydrophobicContact CG-CE1 3.22Å; Q884-Y919 VanDerWaalsContact CG-CZ 3.5Å; Q884-Y919 VanDerWaalsContact CG-OH 3.29Å; Q884-Y919 WeakPolarHBondContact CG-OH 3.32Å; Q884-Y919 PolarHBondContact NE2-OH 3.12Å; Q884-Y919 PolarHBondContact OE1-OH 3.49Å; Q884-Y919 VanDerWaalsContact OE1-OH 3.05Å; T915-Y919 WeakPolarHBondContact O-CB 3.22Å; T915-Y919 PolarHBondContact O-N 2.84Å; Y919-L922 HydrophobicContact CD1-CB 4.36Å; Y919-L922 VanDerWaalsContact CD1-N 3.34Å; Y919-L922 WeakPolarHBondContact O-CB 3.36Å; Y919-K955 PolarHBondContact O-NZ 3.29Å
920	R	76.2	Confident	81.9	Confident	108 Å²	108	36.2 Å²	36.2	41%	0.408	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.6	-172.8	-170.3	179.9	-59	-147.2	7.7	113.5	R467 Y726 E918 L922 K959	R467-R920 VanDerWaalsContact CZ-NH1 3.29Å; R467-R920 VanDerWaalsContact NE-NH1 3.13Å; Y726-R920 HydrophobicContact CD2-CG 4.35Å; E918-R920 PolarHBondContact O-N 3.29Å; R920-L922 PolarHBondContact O-N 2.93Å; R920-K959 PolarHBondContact O-NZ 3.48Å
921	Y	79.7	Confident	80.6	Confident	31 Å²	31	36.8 Å²	36.8	12%	0.122	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	25.7	-177.8	-51.3	-68.8	0	0	0	112.5	R722 R725 S729 V923	R722-Y921 PolarHBondContact O-OH 3.01Å; R725-Y921 VanDerWaalsContact C-CD1 3.45Å; R725-Y921 HydrophobicContact CB-CD1 3.71Å; R725-Y921 HydrophobicContact CB-CE1 3.43Å; R725-Y921 VanDerWaalsContact CB-CE1 3.43Å; R725-Y921 HydrophobicContact CB-CG 4.4Å; R725-Y921 WeakPolarHBondContact O-CD1 3.09Å; S729-Y921 WeakPolarHBondContact CB-O 3.21Å; Y921-V923 PolarHBondContact O-N 3.44Å
922	L	82.4	Confident	79.6	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-53.7	124.3	173.6	173.8	68.3	0	0	0	109.3	A883 N889 L916 Y919 R920 Y924 K959	A883-L922 HydrophobicContact CB-CD1 3.76Å; N889-L922 WeakPolarHBondContact ND2-CD1 3.5Å; L916-L922 HydrophobicContact CB-CD2 4.42Å; L916-L922 HydrophobicContact CD2-CD1 3.34Å; L916-L922 HydrophobicContact CD2-CD2 4.38Å; Y919-L922 HydrophobicContact CD1-CB 4.36Å; Y919-L922 VanDerWaalsContact CD1-N 3.34Å; Y919-L922 WeakPolarHBondContact O-CB 3.36Å; R920-L922 PolarHBondContact O-N 2.93Å; L922-Y924 PolarHBondContact O-N 2.91Å; L922-K959 PolarHBondContact O-NZ 3.34Å
923	V	79.7	Confident	78.3	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-60.2	126	170.6	173.7	0	0	0	0	108.4	V732 L733 A883 Q884 N889 Y921	V732-V923 HydrophobicContact CG1-CB 4.08Å; V732-V923 HydrophobicContact CG1-CG1 3.38Å; V732-V923 HydrophobicContact CG1-CG2 3.74Å; L733-V923 HydrophobicContact CD1-CG1 3.73Å; L733-V923 HydrophobicContact CG-CG1 3.83Å; A883-V923 PolarHBondContact O-N 3.26Å; A883-V923 VanDerWaalsContact O-N 3.09Å; Q884-V923 WeakPolarHBondContact O-CG2 3.29Å; N889-V923 HydrophobicContact CB-CB 4.05Å; N889-V923 HydrophobicContact CB-CG1 4.44Å; N889-V923 VanDerWaalsContact CG-O 3.29Å; N889-V923 PolarHBondContact ND2-O 2.88Å; N889-V923 PolarHBondContact OD1-O 2.91Å; Y921-V923 PolarHBondContact O-N 3.44Å
924	Y	72.9	Confident	76.8	Confident	17 Å²	17	45.4 Å²	45.4	7%	0.067	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-101	124.4	178.4	-178.1	-110.7	0	0	0	110.7	S729 L733 L922 G926 H929 T956 K959 M960	S729-Y924 PolarHBondContact O-N 3.3Å; L733-Y924 WeakPolarHBondContact CD1-O 3.39Å; L922-Y924 PolarHBondContact O-N 2.91Å; Y924-G926 WeakPolarHBondContact OH-CA 3.49Å; Y924-H929 PolarHBondContact OH-ND1 2.79Å; Y924-T956 HydrophobicContact CD2-CG2 4.27Å; Y924-T956 HydrophobicContact CE2-CG2 3.33Å; Y924-K959 HydrophobicContact CD1-CB 4.42Å; Y924-K959 HydrophobicContact CD2-CB 4.31Å; Y924-K959 HydrophobicContact CG-CB 4.13Å; Y924-K959 HydrophobicContact CG-CD 4.36Å; Y924-M960 HydrophobicContact CE1-CG 3.75Å; Y924-M960 HydrophobicContact CE2-CG 4.42Å; Y924-M960 VanDerWaalsContact CZ-CG 3.44Å; Y924-M960 WeakPolarHBondContact OH-CG 3.46Å; Y924-M960 PolarHBondContact OH-SD 3.08Å
925	D	69.8	Low	75.6	Confident	33 Å²	33	43.7 Å²	43.7	18%	0.176	23%	0.225	C	C	.	.			trans	-110.4	121.8	169.2	-172.7	-22.1	0	0	0	107.9	L733 T927 N928	L733-D925 HydrophobicContact CD1-CB 3.42Å; L733-D925 VanDerWaalsContact CD1-CB 3.42Å; D925-T927 PolarHBondContact O-N 3.41Å; D925-T927 VanDerWaalsContact O-N 3.07Å; D925-T927 WeakPolarHBondContact OD1-CB 3.24Å; D925-T927 PolarHBondContact OD1-N 3.19Å; D925-T927 PolarHBondContact OD1-OG1 2.93Å; D925-T927 PolarHBondContact OD2-OG1 2.91Å; D925-N928 HydrophobicContact CB-CB 4.01Å; D925-N928 WeakPolarHBondContact CB-ND2 3.48Å; D925-N928 PolarHBondContact O-N 3.49Å
926	G	67.4	Low	74.3	Confident	39 Å²	39	45.8 Å²	45.8	40%	0.402	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.2	174.9	0	0	0	0	0	113.3	Y924 H929	Y924-G926 WeakPolarHBondContact OH-CA 3.49Å; G926-H929 PolarHBondContact O-CE1 2.9Å; G926-H929 PolarHBondContact O-ND1 3.41Å
927	T	70.3	Confident	73.1	Confident	77 Å²	77	52.8 Å²	52.8	47%	0.472	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-20.5	-173.8	65.9	0	0	0	0	114.3	D925 H929 E930	D925-T927 PolarHBondContact O-N 3.41Å; D925-T927 VanDerWaalsContact O-N 3.07Å; D925-T927 WeakPolarHBondContact OD1-CB 3.24Å; D925-T927 PolarHBondContact OD1-N 3.19Å; D925-T927 PolarHBondContact OD1-OG1 2.93Å; D925-T927 PolarHBondContact OD2-OG1 2.91Å; T927-H929 VanDerWaalsContact C-N 3.3Å; T927-H929 PolarHBondContact O-N 2.84Å; T927-E930 PolarHBondContact O-N 2.99Å
928	N	70.5	Confident	72.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-26.3	-172.1	-82.4	-21	0	0	0	113.2	N889 W893 D925 E930 K931	N889-N928 PolarHBondContact OD1-ND2 3.47Å; W893-N928 HydrophobicContact CB-CB 3.85Å; W893-N928 HydrophobicContact CD2-CB 3.56Å; W893-N928 HydrophobicContact CE3-CB 3.91Å; W893-N928 VanDerWaalsContact CE3-O 3.25Å; W893-N928 HydrophobicContact CG-CB 3.5Å; W893-N928 VanDerWaalsContact CG-CB 3.5Å; D925-N928 HydrophobicContact CB-CB 4.01Å; D925-N928 WeakPolarHBondContact CB-ND2 3.48Å; D925-N928 PolarHBondContact O-N 3.49Å; N928-E930 VanDerWaalsContact C-N 3.33Å; N928-E930 PolarHBondContact O-N 2.81Å; N928-K931 PolarHBondContact O-N 2.81Å; N928-K931 PolarHBondContact OD1-NZ 2.74Å; N928-K931 VanDerWaalsContact OD1-NZ 3.11Å
929	H	70.7	Confident	72.1	Confident	30 Å²	30	54.4 Å²	54.4	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-33.9	-178.6	76.4	-101.4	0	0	0	112.8	Y924 G926 T927 K931 I932 T956 M960	Y924-H929 PolarHBondContact OH-ND1 2.79Å; G926-H929 PolarHBondContact O-CE1 2.9Å; G926-H929 PolarHBondContact O-ND1 3.41Å; T927-H929 VanDerWaalsContact C-N 3.3Å; T927-H929 PolarHBondContact O-N 2.84Å; H929-K931 PolarHBondContact O-N 3.33Å; H929-I932 PolarHBondContact O-N 3.33Å; H929-T956 HydrophobicContact CB-CG2 3.45Å; H929-T956 VanDerWaalsContact CB-CG2 3.45Å; H929-M960 VanDerWaalsContact CE1-CE 3.5Å; H929-M960 WeakPolarHBondContact CE1-CE 3.48Å
930	E	69.7	Low	72	Confident	121 Å²	121	58.8 Å²	58.8	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-63.7	-31.2	-179.7	-62.9	-178.4	166.2	0	0	111.7	T927 N928 I932 L933	T927-E930 PolarHBondContact O-N 2.99Å; N928-E930 VanDerWaalsContact C-N 3.33Å; N928-E930 PolarHBondContact O-N 2.81Å; E930-I932 PolarHBondContact O-N 2.79Å; E930-L933 PolarHBondContact O-N 3.33Å
931	K	68.4	Low	72.4	Confident	58 Å²	58	53.9 Å²	53.9	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-69.7	-32.9	-177.3	-56.8	176.8	-180	162.2	0	113.5	D894 S897 N928 H929	D894-K931 IonicContact OD1-NZ 2.94Å; D894-K931 PolarHBondContact OD1-NZ 2.95Å; S897-K931 WeakPolarHBondContact OG-CB 3.49Å; N928-K931 PolarHBondContact O-N 2.81Å; N928-K931 PolarHBondContact OD1-NZ 2.74Å; N928-K931 VanDerWaalsContact OD1-NZ 3.11Å; H929-K931 PolarHBondContact O-N 3.33Å
932	I	72.7	Confident	72.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-81.4	-24.9	178.7	-65.3	-169.8	0	0	0	111.7	W893 L896 H929 E930 V934 T935 E936 I949 L952	W893-I932 HydrophobicContact CD2-CD1 4.38Å; W893-I932 HydrophobicContact CE3-CD1 3.28Å; W893-I932 HydrophobicContact CE3-CG1 3.71Å; W893-I932 HydrophobicContact CH2-CD1 4.32Å; W893-I932 HydrophobicContact CZ3-CB 4.39Å; W893-I932 HydrophobicContact CZ3-CD1 3.25Å; W893-I932 HydrophobicContact CZ3-CG1 3.8Å; L896-I932 HydrophobicContact CB-CD1 3.54Å; L896-I932 HydrophobicContact CB-CG1 4.05Å; L896-I932 HydrophobicContact CD1-CD1 3.63Å; L896-I932 HydrophobicContact CG-CD1 4.25Å; H929-I932 PolarHBondContact O-N 3.33Å; E930-I932 PolarHBondContact O-N 2.79Å; I932-V934 PolarHBondContact O-N 2.87Å; I932-V934 VanDerWaalsContact O-N 3.13Å; I932-T935 WeakPolarHBondContact O-CA 3.45Å; I932-T935 PolarHBondContact O-N 3.39Å; I932-T935 PolarHBondContact O-OG1 3.03Å; I932-E936 PolarHBondContact O-N 3.47Å; I932-I949 HydrophobicContact CG2-CG1 4.4Å; I932-I949 HydrophobicContact CG2-CG2 3.52Å; I932-L952 HydrophobicContact CD1-CD2 4.04Å
933	L	66.4	Low	72.9	Confident	69 Å²	69	58.7 Å²	58.7	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-31.8	175.6	-67.7	174.9	0	0	0	111.8	E930 T935 E936 L953	E930-L933 PolarHBondContact O-N 3.33Å; L933-T935 PolarHBondContact O-N 3.02Å; L933-E936 VanDerWaalsContact CD2-OE2 3.31Å; L933-E936 WeakPolarHBondContact CD2-OE2 3.47Å; L933-E936 PolarHBondContact O-N 3.02Å; L933-L953 HydrophobicContact CD2-CD1 3.89Å; L933-L953 HydrophobicContact CD2-CD2 4.17Å
934	V	62.9	Low	73.2	Confident	125 Å²	125	59.8 Å²	59.8	76%	0.758	33%	0.327	S	S	*	.	H	α-helix	trans	-63.9	-27.2	175.6	-175.8	0	0	0	0	112.3	I932	I932-V934 PolarHBondContact O-N 2.87Å; I932-V934 VanDerWaalsContact O-N 3.13Å
935	T	66.2	Low	74	Confident	4 Å²	4	59 Å²	59	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-91.4	-21.2	178.8	62.4	0	0	0	0	113.6	F902 I932 L933 D937 S938 I941	F902-T935 HydrophobicContact CE2-CG2 4.29Å; I932-T935 WeakPolarHBondContact O-CA 3.45Å; I932-T935 PolarHBondContact O-N 3.39Å; I932-T935 PolarHBondContact O-OG1 3.03Å; L933-T935 PolarHBondContact O-N 3.02Å; T935-D937 VanDerWaalsContact C-N 3.31Å; T935-D937 PolarHBondContact O-N 2.85Å; T935-S938 PolarHBondContact O-N 3.32Å; T935-I941 WeakPolarHBondContact O-CD1 3.48Å
936	E	66	Low	74.8	Confident	51 Å²	51	60 Å²	60	24%	0.238	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-39.9	-172.6	-169.2	172.5	-164.8	0	0	112.6	I932 L933 S938 I949 L953	I932-E936 PolarHBondContact O-N 3.47Å; L933-E936 VanDerWaalsContact CD2-OE2 3.31Å; L933-E936 WeakPolarHBondContact CD2-OE2 3.47Å; L933-E936 PolarHBondContact O-N 3.02Å; E936-S938 PolarHBondContact O-N 3.14Å; E936-I949 HydrophobicContact CG-CG2 4.39Å; E936-L953 VanDerWaalsContact CD-CD1 3.44Å; E936-L953 HydrophobicContact CG-CD1 4.43Å; E936-L953 WeakPolarHBondContact OE1-CD1 3.49Å; E936-L953 WeakPolarHBondContact OE2-CD1 3.38Å
937	D	66.6	Low	75.8	Confident	147 Å²	147	63.1 Å²	63.1	79%	0.786	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	11.4	-175.7	-70.3	-26.6	0	0	0	114.3	T935	T935-D937 VanDerWaalsContact C-N 3.31Å; T935-D937 PolarHBondContact O-N 2.85Å
938	S	74	Confident	76.8	Confident	24 Å²	24	61.1 Å²	61.1	17%	0.168	31%	0.314	C	S	.	.			trans	-84.8	122.7	-179.9	-168.7	0	0	0	0	113.2	I899 T935 E936 Q940 I941 Q946	I899-S938 VanDerWaalsContact CD1-CB 3.47Å; I899-S938 WeakPolarHBondContact CD1-OG 3.22Å; T935-S938 PolarHBondContact O-N 3.32Å; E936-S938 PolarHBondContact O-N 3.14Å; S938-Q940 PolarHBondContact O-N 3.3Å; S938-Q940 VanDerWaalsContact O-N 3.07Å; S938-Q940 PolarHBondContact OG-N 3.31Å; S938-I941 PolarHBondContact O-N 3.06Å; S938-Q946 PolarHBondContact O-NE2 3.09Å
939	D	77.9	Confident	77.6	Confident	165 Å²	165	61 Å²	61	88%	0.882	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.8	172.4	-65.9	-32.8	0	0	0	114.1
940	Q	81.8	Confident	78.4	Confident	127 Å²	127	64.8 Å²	64.8	59%	0.593	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.3	179	-59	-175.5	12.6	0	0	113.2	I899 V903 S938	I899-Q940 HydrophobicContact CD1-CB 4.21Å; V903-Q940 HydrophobicContact CG2-CB 4.27Å; S938-Q940 PolarHBondContact O-N 3.3Å; S938-Q940 VanDerWaalsContact O-N 3.07Å; S938-Q940 PolarHBondContact OG-N 3.31Å
941	I	83.7	Confident	79.3	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	33%	0.328	C	S	.	.	S	Bend	trans	-87.6	134.7	-174.7	-57.9	-177.5	0	0	0	109.9	I899 F902 T935 S938 L945 Q946 I949	I899-I941 HydrophobicContact CG1-CG1 4.44Å; F902-I941 HydrophobicContact CB-CD1 4.41Å; F902-I941 HydrophobicContact CB-CG1 4.07Å; F902-I941 HydrophobicContact CB-CG2 4.42Å; F902-I941 HydrophobicContact CD1-CD1 4.05Å; F902-I941 HydrophobicContact CD1-CG1 4.41Å; F902-I941 HydrophobicContact CD1-CG2 3.88Å; F902-I941 HydrophobicContact CD2-CD1 4.33Å; F902-I941 HydrophobicContact CE1-CD1 4.43Å; F902-I941 HydrophobicContact CG-CD1 4Å; F902-I941 HydrophobicContact CG-CG1 4.2Å; F902-I941 HydrophobicContact CG-CG2 4.41Å; T935-I941 WeakPolarHBondContact O-CD1 3.48Å; S938-I941 PolarHBondContact O-N 3.06Å; I941-L945 HydrophobicContact CG2-CB 3.82Å; I941-Q946 HydrophobicContact CB-CG 4.11Å; I941-Q946 HydrophobicContact CG2-CG 3.91Å; I941-I949 HydrophobicContact CD1-CD1 4.34Å
942	D	85.8	Confident	80.2	Confident	50 Å²	50	61.6 Å²	61.6	27%	0.267	32%	0.316	S	S	.	.			trans	-55.3	134	175	-173.9	-79.2	0	0	0	112	K906 E944 L945 Q946	K906-D942 WeakPolarHBondContact CE-OD2 3.45Å; K906-D942 VanDerWaalsContact NZ-CG 3.27Å; K906-D942 IonicContact NZ-OD1 3.79Å; K906-D942 IonicContact NZ-OD2 3.65Å; K906-D942 PolarHBondContact NZ-OD2 2.81Å; D942-E944 PolarHBondContact O-N 3.25Å; D942-E944 VanDerWaalsContact O-N 3.11Å; D942-E944 WeakPolarHBondContact OD1-CA 3.45Å; D942-E944 WeakPolarHBondContact OD1-CB 3.46Å; D942-E944 PolarHBondContact OD1-N 2.78Å; D942-L945 HydrophobicContact CB-CD1 4.42Å; D942-L945 HydrophobicContact CB-CG 4.22Å; D942-L945 WeakPolarHBondContact O-CA 3.27Å; D942-L945 WeakPolarHBondContact O-CB 3.49Å; D942-L945 PolarHBondContact O-N 3.44Å; D942-Q946 PolarHBondContact O-N 2.89Å
943	P	87	Confident	80.8	Confident	83 Å²	83	61.8 Å²	61.8	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-56.6	-28.4	-179.3	-27.9	35.2	0	0	0	115	K947	P943-K947 WeakPolarHBondContact O-CG 3.49Å; P943-K947 PolarHBondContact O-N 3.26Å
944	E	86.6	Confident	81.7	Confident	29 Å²	29	63.3 Å²	63.3	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-40.2	174.3	-162.7	-152.5	159.5	0	0	111.3	K910 D942 K948	K910-E944 WeakPolarHBondContact CE-OE1 3.46Å; K910-E944 IonicContact NZ-OE1 3.6Å; K910-E944 PolarHBondContact NZ-OE1 3.37Å; K910-E944 IonicContact NZ-OE2 2.8Å; K910-E944 PolarHBondContact NZ-OE2 3.2Å; D942-E944 PolarHBondContact O-N 3.25Å; D942-E944 VanDerWaalsContact O-N 3.11Å; D942-E944 WeakPolarHBondContact OD1-CA 3.45Å; D942-E944 WeakPolarHBondContact OD1-CB 3.46Å; D942-E944 PolarHBondContact OD1-N 2.78Å; E944-K948 PolarHBondContact O-N 3Å; E944-K948 VanDerWaalsContact OE1-CE 3.27Å; E944-K948 WeakPolarHBondContact OE1-CE 3.38Å; E944-K948 IonicContact OE1-NZ 2.64Å
945	L	89.1	Confident	82.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.8	-38.8	178	-62.7	-173.8	0	0	0	111.2	F902 K906 T909 K910 L913 I941 D942 K947 K948 I949	F902-L945 HydrophobicContact CD1-CD1 4.05Å; K906-L945 HydrophobicContact CG-CD1 3.9Å; T909-L945 HydrophobicContact CG2-CD1 4.45Å; K910-L945 HydrophobicContact CB-CD2 3.86Å; K910-L945 HydrophobicContact CG-CD2 4.16Å; L913-L945 HydrophobicContact CD1-CB 4.38Å; L913-L945 HydrophobicContact CD1-CD2 3.99Å; I941-L945 HydrophobicContact CG2-CB 3.82Å; D942-L945 HydrophobicContact CB-CD1 4.42Å; D942-L945 HydrophobicContact CB-CG 4.22Å; D942-L945 WeakPolarHBondContact O-CA 3.27Å; D942-L945 WeakPolarHBondContact O-CB 3.49Å; D942-L945 PolarHBondContact O-N 3.44Å; L945-K947 VanDerWaalsContact C-N 3.35Å; L945-K947 PolarHBondContact O-N 3.09Å; L945-K948 HydrophobicContact CD2-CD 4.26Å; L945-K948 CarbonylContact O-C 3.58Å; L945-K948 WeakPolarHBondContact O-CA 3.34Å; L945-K948 WeakPolarHBondContact O-CB 3.4Å; L945-K948 PolarHBondContact O-N 3.22Å; L945-I949 WeakPolarHBondContact O-CG1 3.28Å; L945-I949 PolarHBondContact O-N 3.1Å
946	Q	87.5	Confident	83.6	Confident	54 Å²	54	59.3 Å²	59.3	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-55	-48.4	172.9	-72.3	177.7	-18.5	0	0	111.5	S938 I941 D942 K948 I949 E950	S938-Q946 PolarHBondContact O-NE2 3.09Å; I941-Q946 HydrophobicContact CB-CG 4.11Å; I941-Q946 HydrophobicContact CG2-CG 3.91Å; D942-Q946 PolarHBondContact O-N 2.89Å; Q946-K948 PolarHBondContact O-N 3.42Å; Q946-I949 WeakPolarHBondContact O-CA 3.34Å; Q946-I949 WeakPolarHBondContact O-CB 3.31Å; Q946-I949 PolarHBondContact O-N 3.01Å; Q946-E950 PolarHBondContact O-N 3.15Å
947	K	88.2	Confident	84.5	Confident	105 Å²	105	63.9 Å²	63.9	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-31.3	174.7	-71.8	177.4	-177.3	177.1	0	113.6	P943 L945 K951	P943-K947 WeakPolarHBondContact O-CG 3.49Å; P943-K947 PolarHBondContact O-N 3.26Å; L945-K947 VanDerWaalsContact C-N 3.35Å; L945-K947 PolarHBondContact O-N 3.09Å; K947-K951 WeakPolarHBondContact O-CG 3.31Å; K947-K951 PolarHBondContact O-N 2.75Å
948	K	90.4	Very high	85.3	Confident	34 Å²	34	62 Å²	62	15%	0.148	29%	0.294	C	S	.	.	H	α-helix	trans	-74.1	-39.4	175.3	-73.2	174.6	-173.1	-76	0	110.9	K910 L913 N914 I917 E944 L945 Q946 K951 L952	K910-K948 HydrophobicContact CG-CD 4.35Å; L913-K948 HydrophobicContact CB-CB 4.24Å; L913-K948 HydrophobicContact CB-CD 4.41Å; L913-K948 HydrophobicContact CD1-CB 4.03Å; N914-K948 PolarHBondContact OD1-NZ 3.3Å; I917-K948 HydrophobicContact CD1-CB 3.8Å; I917-K948 HydrophobicContact CD1-CG 4.24Å; I917-K948 WeakPolarHBondContact CD1-O 3.47Å; E944-K948 PolarHBondContact O-N 3Å; E944-K948 VanDerWaalsContact OE1-CE 3.27Å; E944-K948 WeakPolarHBondContact OE1-CE 3.38Å; E944-K948 IonicContact OE1-NZ 2.64Å; L945-K948 HydrophobicContact CD2-CD 4.26Å; L945-K948 CarbonylContact O-C 3.58Å; L945-K948 WeakPolarHBondContact O-CA 3.34Å; L945-K948 WeakPolarHBondContact O-CB 3.4Å; L945-K948 PolarHBondContact O-N 3.22Å; Q946-K948 PolarHBondContact O-N 3.42Å; K948-K951 PolarHBondContact O-N 3.18Å; K948-L952 PolarHBondContact O-N 2.8Å
949	I	89.1	Confident	85.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-50.3	172.8	-67.4	167.4	0	0	0	110.1	F902 L913 I932 E936 I941 L945 Q946 K951 L952 L953	F902-I949 HydrophobicContact CD1-CD1 4.49Å; F902-I949 HydrophobicContact CE1-CD1 3.71Å; F902-I949 HydrophobicContact CE1-CG1 4.3Å; F902-I949 HydrophobicContact CZ-CD1 4.18Å; L913-I949 HydrophobicContact CD1-CG1 4.45Å; L913-I949 HydrophobicContact CD2-CG1 4.15Å; I932-I949 HydrophobicContact CG2-CG1 4.4Å; I932-I949 HydrophobicContact CG2-CG2 3.52Å; E936-I949 HydrophobicContact CG-CG2 4.39Å; I941-I949 HydrophobicContact CD1-CD1 4.34Å; L945-I949 WeakPolarHBondContact O-CG1 3.28Å; L945-I949 PolarHBondContact O-N 3.1Å; Q946-I949 WeakPolarHBondContact O-CA 3.34Å; Q946-I949 WeakPolarHBondContact O-CB 3.31Å; Q946-I949 PolarHBondContact O-N 3.01Å; I949-K951 VanDerWaalsContact C-N 3.29Å; I949-K951 PolarHBondContact O-N 3.05Å; I949-L952 CarbonylContact O-C 3.56Å; I949-L952 WeakPolarHBondContact O-CA 3.39Å; I949-L952 WeakPolarHBondContact O-CB 3.4Å; I949-L952 PolarHBondContact O-N 3.23Å; I949-L953 HydrophobicContact CG2-CD1 3.84Å; I949-L953 HydrophobicContact CG2-CG 4.2Å; I949-L953 WeakPolarHBondContact O-CG 3.38Å; I949-L953 PolarHBondContact O-N 2.96Å
950	E	86.7	Confident	86.2	Confident	109 Å²	109	56.9 Å²	56.9	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-54.2	-44.6	177.2	-70.7	173.9	-174.4	0	0	112.3	Q946 L953 Q954	Q946-E950 PolarHBondContact O-N 3.15Å; E950-L953 PolarHBondContact O-N 3.35Å; E950-Q954 WeakPolarHBondContact O-CB 3.43Å; E950-Q954 PolarHBondContact O-N 3.03Å
951	K	87.4	Confident	86.4	Confident	110 Å²	110	55.4 Å²	55.4	48%	0.478	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-41.8	176.3	-74.4	176.1	-176.6	178.5	0	112.1	I917 K947 K948 I949 L953 Q954 K955	I917-K951 HydrophobicContact CD1-CB 4.28Å; K947-K951 WeakPolarHBondContact O-CG 3.31Å; K947-K951 PolarHBondContact O-N 2.75Å; K948-K951 PolarHBondContact O-N 3.18Å; I949-K951 VanDerWaalsContact C-N 3.29Å; I949-K951 PolarHBondContact O-N 3.05Å; K951-L953 VanDerWaalsContact C-N 3.35Å; K951-Q954 PolarHBondContact O-N 3.2Å; K951-K955 WeakPolarHBondContact O-CB 3.38Å; K951-K955 PolarHBondContact O-N 3.36Å
952	L	88.1	Confident	86.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-43	176.2	177.8	58	0	0	0	110.9	W893 L896 L913 L916 I917 I932 K948 I949 K955 T956	W893-L952 HydrophobicContact CH2-CD1 4.09Å; W893-L952 HydrophobicContact CH2-CD2 3.87Å; W893-L952 HydrophobicContact CH2-CG 3.87Å; W893-L952 HydrophobicContact CZ2-CD1 4.2Å; W893-L952 HydrophobicContact CZ2-CD2 4.41Å; W893-L952 HydrophobicContact CZ2-CG 4.44Å; W893-L952 HydrophobicContact CZ3-CD2 4.18Å; L896-L952 HydrophobicContact CD1-CD2 4.22Å; L913-L952 HydrophobicContact CD2-CD2 3.9Å; L916-L952 HydrophobicContact CB-CD1 3.62Å; L916-L952 HydrophobicContact CB-CD2 4.2Å; L916-L952 HydrophobicContact CD1-CD2 3.93Å; I917-L952 HydrophobicContact CD1-CB 4.44Å; I917-L952 HydrophobicContact CG1-CB 3.88Å; I917-L952 HydrophobicContact CG1-CD1 4.41Å; I932-L952 HydrophobicContact CD1-CD2 4.04Å; K948-L952 PolarHBondContact O-N 2.8Å; I949-L952 CarbonylContact O-C 3.56Å; I949-L952 WeakPolarHBondContact O-CA 3.39Å; I949-L952 WeakPolarHBondContact O-CB 3.4Å; I949-L952 PolarHBondContact O-N 3.23Å; L952-K955 PolarHBondContact O-N 3.22Å; L952-T956 WeakPolarHBondContact O-CB 3.44Å; L952-T956 PolarHBondContact O-N 3.42Å; L952-T956 PolarHBondContact O-OG1 3.38Å
953	L	86.2	Confident	86.8	Confident	5 Å²	5	55 Å²	55	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-42.8	176.2	-68.1	174.4	0	0	0	111.6	L933 E936 I949 E950 K951 K955 T956 R957	L933-L953 HydrophobicContact CD2-CD1 3.89Å; L933-L953 HydrophobicContact CD2-CD2 4.17Å; E936-L953 VanDerWaalsContact CD-CD1 3.44Å; E936-L953 HydrophobicContact CG-CD1 4.43Å; E936-L953 WeakPolarHBondContact OE1-CD1 3.49Å; E936-L953 WeakPolarHBondContact OE2-CD1 3.38Å; I949-L953 HydrophobicContact CG2-CD1 3.84Å; I949-L953 HydrophobicContact CG2-CG 4.2Å; I949-L953 WeakPolarHBondContact O-CG 3.38Å; I949-L953 PolarHBondContact O-N 2.96Å; E950-L953 PolarHBondContact O-N 3.35Å; K951-L953 VanDerWaalsContact C-N 3.35Å; L953-K955 VanDerWaalsContact C-N 3.34Å; L953-K955 PolarHBondContact O-N 2.84Å; L953-T956 WeakPolarHBondContact O-CB 3.21Å; L953-T956 PolarHBondContact O-N 3.24Å; L953-R957 WeakPolarHBondContact O-CG 3.08Å; L953-R957 PolarHBondContact O-N 3.37Å
954	Q	84	Confident	86.9	Confident	101 Å²	101	57.5 Å²	57.5	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-44.5	174.9	-170.4	-175.3	26.3	0	0	111.8	E950 K951 T956 R957 K958	E950-Q954 WeakPolarHBondContact O-CB 3.43Å; E950-Q954 PolarHBondContact O-N 3.03Å; K951-Q954 PolarHBondContact O-N 3.2Å; Q954-T956 VanDerWaalsContact C-N 3.3Å; Q954-T956 PolarHBondContact O-N 2.82Å; Q954-R957 PolarHBondContact O-N 3.02Å; Q954-K958 WeakPolarHBondContact O-CG 3.44Å; Q954-K958 PolarHBondContact O-N 3.28Å
955	K	84.7	Confident	87.2	Confident	42 Å²	42	58.2 Å²	58.2	18%	0.183	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-39.7	176.5	-177.1	178.6	176.8	-173.7	0	111.7	L916 I917 Y919 K951 L952 L953 K958 K959	L916-K955 PolarHBondContact O-NZ 2.7Å; I917-K955 VanDerWaalsContact C-NZ 3.26Å; I917-K955 WeakPolarHBondContact O-CD 3.5Å; I917-K955 WeakPolarHBondContact O-CE 3.48Å; I917-K955 PolarHBondContact O-NZ 3.12Å; Y919-K955 PolarHBondContact O-NZ 3.29Å; K951-K955 WeakPolarHBondContact O-CB 3.38Å; K951-K955 PolarHBondContact O-N 3.36Å; L952-K955 PolarHBondContact O-N 3.22Å; L953-K955 VanDerWaalsContact C-N 3.34Å; L953-K955 PolarHBondContact O-N 2.84Å; K955-K958 PolarHBondContact O-N 2.9Å; K955-K959 PolarHBondContact O-N 2.87Å
956	T	85	Confident	87.4	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-47.9	177.3	-64.3	0	0	0	0	111.5	Y924 H929 L952 L953 Q954 K958 K959 M960	Y924-T956 HydrophobicContact CD2-CG2 4.27Å; Y924-T956 HydrophobicContact CE2-CG2 3.33Å; H929-T956 HydrophobicContact CB-CG2 3.45Å; H929-T956 VanDerWaalsContact CB-CG2 3.45Å; L952-T956 WeakPolarHBondContact O-CB 3.44Å; L952-T956 PolarHBondContact O-N 3.42Å; L952-T956 PolarHBondContact O-OG1 3.38Å; L953-T956 WeakPolarHBondContact O-CB 3.21Å; L953-T956 PolarHBondContact O-N 3.24Å; Q954-T956 VanDerWaalsContact C-N 3.3Å; Q954-T956 PolarHBondContact O-N 2.82Å; T956-K958 VanDerWaalsContact C-N 3.29Å; T956-K958 PolarHBondContact O-N 2.82Å; T956-K959 WeakPolarHBondContact O-CA 3.35Å; T956-K959 WeakPolarHBondContact O-CB 3.22Å; T956-K959 PolarHBondContact O-N 2.86Å; T956-M960 HydrophobicContact CG2-SD 4.42Å; T956-M960 WeakPolarHBondContact O-CG 3.1Å; T956-M960 PolarHBondContact O-N 3.4Å
957	R	84.3	Confident	87.6	Confident	147 Å²	147	56.6 Å²	56.6	56%	0.555	26%	0.256	S	S	*	.	H	α-helix	trans	-56.9	-40.5	175.4	-70.3	174	-170.6	149.4	6.5	112.3	L953 Q954 K959 M960 K961	L953-R957 WeakPolarHBondContact O-CG 3.08Å; L953-R957 PolarHBondContact O-N 3.37Å; Q954-R957 PolarHBondContact O-N 3.02Å; R957-K959 VanDerWaalsContact C-N 3.33Å; R957-K959 PolarHBondContact O-N 2.85Å; R957-M960 WeakPolarHBondContact O-CB 3.45Å; R957-M960 PolarHBondContact O-N 3.43Å; R957-K961 PolarHBondContact O-N 3.19Å
958	K	83.7	Confident	87.9	Confident	108 Å²	108	57.3 Å²	57.3	47%	0.47	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-38.6	174.7	-70.9	179.8	179.4	-173.8	0	112.7	Q954 K955 T956 W962	Q954-K958 WeakPolarHBondContact O-CG 3.44Å; Q954-K958 PolarHBondContact O-N 3.28Å; K955-K958 PolarHBondContact O-N 2.9Å; T956-K958 VanDerWaalsContact C-N 3.29Å; T956-K958 PolarHBondContact O-N 2.82Å; K958-W962 PolarHBondContact O-N 3.3Å
959	K	86.1	Confident	88.1	Confident	11 Å²	11	58.8 Å²	58.8	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-70.6	-37.9	176.2	-78.1	-162.1	173.8	-150.5	0	112.4	M730 R920 L922 Y924 K955 T956 R957 K961 W962 T963	M730-K959 HydrophobicContact CE-CB 3.77Å; M730-K959 HydrophobicContact CE-CD 4.37Å; M730-K959 HydrophobicContact CE-CG 4.02Å; M730-K959 WeakPolarHBondContact CE-O 3.29Å; M730-K959 HydrophobicContact SD-CB 4.34Å; M730-K959 HydrophobicContact SD-CD 3.83Å; M730-K959 HydrophobicContact SD-CG 4.02Å; R920-K959 PolarHBondContact O-NZ 3.48Å; L922-K959 PolarHBondContact O-NZ 3.34Å; Y924-K959 HydrophobicContact CD1-CB 4.42Å; Y924-K959 HydrophobicContact CD2-CB 4.31Å; Y924-K959 HydrophobicContact CG-CB 4.13Å; Y924-K959 HydrophobicContact CG-CD 4.36Å; K955-K959 PolarHBondContact O-N 2.87Å; T956-K959 WeakPolarHBondContact O-CA 3.35Å; T956-K959 WeakPolarHBondContact O-CB 3.22Å; T956-K959 PolarHBondContact O-N 2.86Å; R957-K959 VanDerWaalsContact C-N 3.33Å; R957-K959 PolarHBondContact O-N 2.85Å; K959-K961 VanDerWaalsContact C-N 3.35Å; K959-W962 PolarHBondContact O-N 2.9Å; K959-T963 PolarHBondContact O-N 2.86Å; K959-T963 PolarHBondContact O-OG1 3.38Å
960	M	84.4	Confident	88.5	Confident	71 Å²	71	58.8 Å²	58.8	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-57.6	-51.1	171.1	-68.9	173	74.8	0	0	110.6	Y924 H929 T956 R957 W962 T963 E964	Y924-M960 HydrophobicContact CE1-CG 3.75Å; Y924-M960 HydrophobicContact CE2-CG 4.42Å; Y924-M960 VanDerWaalsContact CZ-CG 3.44Å; Y924-M960 WeakPolarHBondContact OH-CG 3.46Å; Y924-M960 PolarHBondContact OH-SD 3.08Å; H929-M960 VanDerWaalsContact CE1-CE 3.5Å; H929-M960 WeakPolarHBondContact CE1-CE 3.48Å; T956-M960 HydrophobicContact CG2-SD 4.42Å; T956-M960 WeakPolarHBondContact O-CG 3.1Å; T956-M960 PolarHBondContact O-N 3.4Å; R957-M960 WeakPolarHBondContact O-CB 3.45Å; R957-M960 PolarHBondContact O-N 3.43Å; M960-W962 VanDerWaalsContact C-N 3.32Å; M960-W962 PolarHBondContact O-N 2.9Å; M960-T963 WeakPolarHBondContact O-CB 3.27Å; M960-T963 PolarHBondContact O-N 3.02Å; M960-E964 PolarHBondContact O-N 3.43Å
961	K	87.3	Confident	88.9	Confident	95 Å²	95	54.5 Å²	54.5	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-43.7	-179.2	-172.3	48	174.6	161.5	0	112.1	R957 K959 T963 E964 D965	R957-K961 PolarHBondContact O-N 3.19Å; K959-K961 VanDerWaalsContact C-N 3.35Å; K961-T963 VanDerWaalsContact C-N 3.29Å; K961-T963 PolarHBondContact O-N 3.42Å; K961-E964 VanDerWaalsContact CD-OE2 3.25Å; K961-E964 WeakPolarHBondContact CD-OE2 3.34Å; K961-E964 IonicContact NZ-OE1 2.84Å; K961-E964 IonicContact NZ-OE2 2.73Å; K961-E964 PolarHBondContact NZ-OE2 3.47Å; K961-E964 PolarHBondContact O-N 2.94Å; K961-D965 WeakPolarHBondContact CD-OD2 3.35Å; K961-D965 WeakPolarHBondContact CE-OD1 3.11Å; K961-D965 WeakPolarHBondContact CE-OD2 3.22Å; K961-D965 WeakPolarHBondContact CG-OD2 3.48Å; K961-D965 IonicContact NZ-OD1 3.19Å; K961-D965 PolarHBondContact NZ-OD1 3.19Å; K961-D965 IonicContact NZ-OD2 3.44Å; K961-D965 WeakPolarHBondContact O-CB 3.49Å; K961-D965 PolarHBondContact O-N 3.32Å
962	W	89.4	Confident	89.3	Confident	13 Å²	13	54.8 Å²	54.8	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-41.6	173.4	-175.7	96.4	0	0	0	112.9	N692 Y698 Y726 I727 M730 F731 K958 K959 M960 D965 F966 I970	N692-W962 PolarHBondContact OD1-NE1 3.19Å; Y698-W962 HydrophobicContact CE2-CZ2 4.03Å; Y698-W962 AromaticContact CE2-NE1 4Å; Y698-W962 AromaticContact CZ-CZ2 3.81Å; Y698-W962 WeakPolarHBondContact OH-CZ2 3.19Å; Y726-W962 HydrophobicContact CD1-CZ2 4.5Å; Y726-W962 HydrophobicContact CE1-CD2 4.35Å; Y726-W962 AromaticContact CE1-CE2 3.78Å; Y726-W962 HydrophobicContact CE1-CZ2 4.1Å; Y726-W962 AromaticContact CE1-NE1 3.66Å; I727-W962 HydrophobicContact CG1-CZ2 4.49Å; M730-W962 HydrophobicContact CB-CE3 3.77Å; M730-W962 HydrophobicContact CB-CH2 3.92Å; M730-W962 HydrophobicContact CB-CZ3 3.29Å; M730-W962 HydrophobicContact CE-CB 4.04Å; M730-W962 HydrophobicContact CE-CD2 3.83Å; M730-W962 HydrophobicContact CE-CE3 3.32Å; M730-W962 HydrophobicContact CE-CG 4.14Å; M730-W962 HydrophobicContact CE-CZ3 4.11Å; M730-W962 HydrophobicContact CG-CD2 4.18Å; M730-W962 HydrophobicContact CG-CE3 3.62Å; M730-W962 HydrophobicContact CG-CH2 3.99Å; M730-W962 HydrophobicContact CG-CZ2 4.48Å; M730-W962 HydrophobicContact CG-CZ3 3.54Å; M730-W962 HydrophobicContact SD-CE3 4.33Å; F731-W962 HydrophobicContact CD2-CH2 4.35Å; F731-W962 HydrophobicContact CD2-CZ3 4.39Å; F731-W962 AromaticContact CE2-CH2 3.9Å; F731-W962 HydrophobicContact CE2-CH2 3.9Å; F731-W962 HydrophobicContact CE2-CZ3 4.02Å; K958-W962 PolarHBondContact O-N 3.3Å; K959-W962 PolarHBondContact O-N 2.9Å; M960-W962 VanDerWaalsContact C-N 3.32Å; M960-W962 PolarHBondContact O-N 2.9Å; W962-D965 PolarHBondContact O-N 2.87Å; W962-F966 HydrophobicContact CB-CD2 4.46Å; W962-F966 AromaticContact CD1-CD2 3.43Å; W962-F966 VanDerWaalsContact CD1-CD2 3.43Å; W962-F966 AromaticContact CD1-CE2 3.55Å; W962-F966 AromaticContact CD2-CD2 3.88Å; W962-F966 HydrophobicContact CD2-CD2 3.88Å; W962-F966 AromaticContact CE2-CD2 3.69Å; W962-F966 AromaticContact CG-CD2 3.73Å; W962-F966 HydrophobicContact CG-CD2 3.73Å; W962-F966 HydrophobicContact CG-CE2 4.17Å; W962-F966 HydrophobicContact CZ2-CB 4.39Å; W962-F966 HydrophobicContact CZ2-CD2 4.43Å; W962-F966 AromaticContact NE1-CD2 3.4Å; W962-F966 AromaticContact NE1-CE2 3.76Å; W962-F966 WeakPolarHBondContact O-CB 3.35Å; W962-F966 VanDerWaalsContact O-CD2 3.24Å; W962-F966 WeakPolarHBondContact O-CD2 3.32Å; W962-F966 PolarHBondContact O-N 2.68Å; W962-I970 HydrophobicContact CH2-CD1 3.82Å; W962-I970 HydrophobicContact CZ2-CD1 4.12Å
963	T	88.4	Confident	89.7	Confident	34 Å²	34	55.2 Å²	55.2	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-45.3	-179.2	-52	0	0	0	0	110.4	M730 K959 M960 K961 D965 S967	M730-T963 WeakPolarHBondContact CE-OG1 3.41Å; K959-T963 PolarHBondContact O-N 2.86Å; K959-T963 PolarHBondContact O-OG1 3.38Å; M960-T963 WeakPolarHBondContact O-CB 3.27Å; M960-T963 PolarHBondContact O-N 3.02Å; K961-T963 VanDerWaalsContact C-N 3.29Å; K961-T963 PolarHBondContact O-N 3.42Å; T963-D965 VanDerWaalsContact C-N 3.34Å; T963-D965 PolarHBondContact O-N 3.19Å; T963-S967 WeakPolarHBondContact O-CB 3.49Å; T963-S967 PolarHBondContact O-N 2.93Å
964	E	89.1	Confident	90.1	Very high	135 Å²	135	55 Å²	55	63%	0.631	26%	0.26	S	S	*	.	H	α-helix	trans	-57.3	-45.8	174	-174.2	-169.5	-170.3	0	0	111.7	M960 K961	M960-E964 PolarHBondContact O-N 3.43Å; K961-E964 VanDerWaalsContact CD-OE2 3.25Å; K961-E964 WeakPolarHBondContact CD-OE2 3.34Å; K961-E964 IonicContact NZ-OE1 2.84Å; K961-E964 IonicContact NZ-OE2 2.73Å; K961-E964 PolarHBondContact NZ-OE2 3.47Å; K961-E964 PolarHBondContact O-N 2.94Å
965	D	91.6	Very high	90.6	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-74.8	-30.8	-173.2	-66.2	-22	0	0	0	113.2	H694 K961 W962 T963	H694-D965 IonicContact CE1-OD2 3.18Å; H694-D965 PolarHBondContact CE1-OD2 3.08Å; H694-D965 IonicContact NE2-OD2 2.81Å; H694-D965 PolarHBondContact NE2-OD2 3.31Å; K961-D965 WeakPolarHBondContact CD-OD2 3.35Å; K961-D965 WeakPolarHBondContact CE-OD1 3.11Å; K961-D965 WeakPolarHBondContact CE-OD2 3.22Å; K961-D965 WeakPolarHBondContact CG-OD2 3.48Å; K961-D965 IonicContact NZ-OD1 3.19Å; K961-D965 PolarHBondContact NZ-OD1 3.19Å; K961-D965 IonicContact NZ-OD2 3.44Å; K961-D965 WeakPolarHBondContact O-CB 3.49Å; K961-D965 PolarHBondContact O-N 3.32Å; W962-D965 PolarHBondContact O-N 2.87Å; T963-D965 VanDerWaalsContact C-N 3.34Å; T963-D965 PolarHBondContact O-N 3.19Å
966	F	93.5	Very high	91	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.057	28%	0.28	C	S	.	.	H	α-helix	trans	-124.5	-19.9	-167.3	-55.7	-58.4	0	0	0	116	A691 H694 Y698 W962 D968 V969 I970	A691-F966 WeakPolarHBondContact O-CZ 3.24Å; H694-F966 AromaticContact CD2-CE1 3.74Å; H694-F966 AromaticContact CD2-CZ 3.63Å; H694-F966 AromaticContact CE1-CZ 3.56Å; H694-F966 AromaticContact NE2-CE1 3.64Å; H694-F966 AromaticContact NE2-CZ 3.24Å; H694-F966 WeakPolarHBondContact NE2-CZ 3.37Å; Y698-F966 HydrophobicContact CD2-CB 4.12Å; Y698-F966 AromaticContact CD2-CD1 3.52Å; Y698-F966 HydrophobicContact CD2-CD1 3.52Å; Y698-F966 HydrophobicContact CD2-CD2 4.2Å; Y698-F966 AromaticContact CD2-CE1 3.9Å; Y698-F966 HydrophobicContact CD2-CE1 3.9Å; Y698-F966 AromaticContact CD2-CG 3.67Å; Y698-F966 HydrophobicContact CD2-CG 3.67Å; Y698-F966 HydrophobicContact CD2-CZ 4.38Å; Y698-F966 HydrophobicContact CE2-CB 4.41Å; Y698-F966 HydrophobicContact CE2-CD1 4.25Å; Y698-F966 HydrophobicContact CE2-CD2 4.11Å; Y698-F966 HydrophobicContact CE2-CE2 4.44Å; Y698-F966 AromaticContact CE2-CG 4Å; Y698-F966 HydrophobicContact CE2-CG 4Å; Y698-F966 HydrophobicContact CG-CD1 4.33Å; W962-F966 HydrophobicContact CB-CD2 4.46Å; W962-F966 AromaticContact CD1-CD2 3.43Å; W962-F966 VanDerWaalsContact CD1-CD2 3.43Å; W962-F966 AromaticContact CD1-CE2 3.55Å; W962-F966 AromaticContact CD2-CD2 3.88Å; W962-F966 HydrophobicContact CD2-CD2 3.88Å; W962-F966 AromaticContact CE2-CD2 3.69Å; W962-F966 AromaticContact CG-CD2 3.73Å; W962-F966 HydrophobicContact CG-CD2 3.73Å; W962-F966 HydrophobicContact CG-CE2 4.17Å; W962-F966 HydrophobicContact CZ2-CB 4.39Å; W962-F966 HydrophobicContact CZ2-CD2 4.43Å; W962-F966 AromaticContact NE1-CD2 3.4Å; W962-F966 AromaticContact NE1-CE2 3.76Å; W962-F966 WeakPolarHBondContact O-CB 3.35Å; W962-F966 VanDerWaalsContact O-CD2 3.24Å; W962-F966 WeakPolarHBondContact O-CD2 3.32Å; W962-F966 PolarHBondContact O-N 2.68Å; F966-D968 PolarHBondContact O-N 2.99Å; F966-V969 PolarHBondContact O-N 2.85Å; F966-I970 HydrophobicContact CB-CD1 3.9Å; F966-I970 HydrophobicContact CB-CG1 4.49Å; F966-I970 WeakPolarHBondContact O-CB 3.34Å; F966-I970 WeakPolarHBondContact O-CD1 3.33Å; F966-I970 WeakPolarHBondContact O-CG1 3.25Å; F966-I970 PolarHBondContact O-N 3.05Å
967	S	92.2	Very high	91.4	Very high	7 Å²	7	60.9 Å²	60.9	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-53.1	-174.1	-179.8	0	0	0	0	111.5	N734 T963 V969 I970 I971	N734-S967 PolarHBondContact ND2-OG 2.98Å; T963-S967 WeakPolarHBondContact O-CB 3.49Å; T963-S967 PolarHBondContact O-N 2.93Å; S967-V969 PolarHBondContact O-N 2.89Å; S967-I970 PolarHBondContact O-N 2.78Å; S967-I971 WeakPolarHBondContact O-CB 3.01Å; S967-I971 WeakPolarHBondContact O-CD1 3.23Å; S967-I971 WeakPolarHBondContact O-CG1 3.34Å; S967-I971 PolarHBondContact O-N 2.9Å; S967-I971 WeakPolarHBondContact OG-CD1 3.33Å
968	D	93.7	Very high	91.6	Very high	120 Å²	120	54.6 Å²	54.6	64%	0.642	27%	0.27	S	S	*	.	H	α-helix	trans	-64.3	-42.7	-175	-66.7	-10.2	0	0	0	112.5	F966 I970 I971 Q972	F966-D968 PolarHBondContact O-N 2.99Å; D968-I970 VanDerWaalsContact C-N 3.34Å; D968-I970 PolarHBondContact O-N 2.95Å; D968-I971 PolarHBondContact O-N 3.37Å; D968-Q972 WeakPolarHBondContact O-CB 3.41Å; D968-Q972 PolarHBondContact O-N 2.96Å
969	V	95.9	Very high	91	Very high	64 Å²	64	53.4 Å²	53.4	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-40.4	178	176.2	0	0	0	0	111.1	T699 F966 S967 W973	T699-V969 HydrophobicContact CG2-CG1 3.7Å; F966-V969 PolarHBondContact O-N 2.85Å; S967-V969 PolarHBondContact O-N 2.89Å; V969-W973 WeakPolarHBondContact O-CB 3.34Å; V969-W973 PolarHBondContact O-N 3.3Å; V969-W973 VanDerWaalsContact O-N 3.09Å
970	I	96.3	Very high	89.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-45.4	176.1	-67.4	168.4	0	0	0	109.9	Y698 L702 F731 W962 F966 S967 D968 W973 L974	Y698-I970 HydrophobicContact CD1-CD1 3.73Å; Y698-I970 HydrophobicContact CD1-CG1 3.83Å; Y698-I970 HydrophobicContact CD2-CD1 4.49Å; Y698-I970 HydrophobicContact CE1-CD1 3.79Å; Y698-I970 HydrophobicContact CE1-CG1 4.37Å; Y698-I970 HydrophobicContact CG-CD1 4.1Å; Y698-I970 HydrophobicContact CG-CG1 4.14Å; L702-I970 HydrophobicContact CD1-CB 4.45Å; L702-I970 HydrophobicContact CD1-CG1 4.17Å; L702-I970 HydrophobicContact CD1-CG2 4.26Å; F731-I970 HydrophobicContact CE1-CG2 4.49Å; F731-I970 HydrophobicContact CE2-CB 4.45Å; F731-I970 HydrophobicContact CE2-CD1 4.06Å; F731-I970 HydrophobicContact CE2-CG2 4.1Å; F731-I970 HydrophobicContact CZ-CB 3.96Å; F731-I970 HydrophobicContact CZ-CD1 4.37Å; F731-I970 HydrophobicContact CZ-CG2 3.7Å; W962-I970 HydrophobicContact CH2-CD1 3.82Å; W962-I970 HydrophobicContact CZ2-CD1 4.12Å; F966-I970 HydrophobicContact CB-CD1 3.9Å; F966-I970 HydrophobicContact CB-CG1 4.49Å; F966-I970 WeakPolarHBondContact O-CB 3.34Å; F966-I970 WeakPolarHBondContact O-CD1 3.33Å; F966-I970 WeakPolarHBondContact O-CG1 3.25Å; F966-I970 PolarHBondContact O-N 3.05Å; S967-I970 PolarHBondContact O-N 2.78Å; D968-I970 VanDerWaalsContact C-N 3.34Å; D968-I970 PolarHBondContact O-N 2.95Å; I970-W973 PolarHBondContact O-N 3.3Å; I970-L974 HydrophobicContact CG2-CD1 3.71Å; I970-L974 HydrophobicContact CG2-CG 4.15Å; I970-L974 WeakPolarHBondContact O-CB 3.17Å; I970-L974 WeakPolarHBondContact O-CG 3.26Å; I970-L974 PolarHBondContact O-N 3.18Å
971	I	94.8	Very high	88.3	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.092	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-46.6	179.4	-69.6	161.8	0	0	0	110.8	F731 N736 S967 D968 W973 L974 N975	F731-I971 HydrophobicContact CE1-CD1 4.09Å; F731-I971 HydrophobicContact CE1-CG1 3.72Å; F731-I971 HydrophobicContact CZ-CG1 4.26Å; N736-I971 HydrophobicContact CB-CD1 4.05Å; N736-I971 HydrophobicContact CB-CG1 4Å; N736-I971 HydrophobicContact CB-CG2 4.25Å; S967-I971 WeakPolarHBondContact O-CB 3.01Å; S967-I971 WeakPolarHBondContact O-CD1 3.23Å; S967-I971 WeakPolarHBondContact O-CG1 3.34Å; S967-I971 PolarHBondContact O-N 2.9Å; S967-I971 WeakPolarHBondContact OG-CD1 3.33Å; D968-I971 PolarHBondContact O-N 3.37Å; I971-W973 VanDerWaalsContact C-N 3.34Å; I971-W973 PolarHBondContact O-N 2.87Å; I971-L974 PolarHBondContact O-N 2.96Å; I971-N975 PolarHBondContact O-N 3.35Å; I971-N975 PolarHBondContact O-ND2 2.9Å
972	Q	95.8	Very high	85.9	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-56.9	-50.2	175.8	-178.7	-176.9	-6.7	0	0	110.6	D968 L974 N975 E976	D968-Q972 WeakPolarHBondContact O-CB 3.41Å; D968-Q972 PolarHBondContact O-N 2.96Å; Q972-L974 VanDerWaalsContact C-N 3.3Å; Q972-L974 PolarHBondContact O-N 3.1Å; Q972-N975 PolarHBondContact O-N 3.02Å; Q972-E976 WeakPolarHBondContact CG-OE1 3.39Å; Q972-E976 PolarHBondContact NE2-OE1 2.88Å; Q972-E976 WeakPolarHBondContact O-CG 3.39Å; Q972-E976 PolarHBondContact O-N 3.44Å
973	W	97	Very high	83.7	Confident	9 Å²	9	66.4 Å²	66.4	3%	0.034	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-41	178.3	-176.1	94.2	0	0	0	112	T699 L702 N703 K706 Y743 V969 I970 I971 E976 N977	T699-W973 HydrophobicContact CG2-CB 4.12Å; T699-W973 HydrophobicContact CG2-CG 4.18Å; L702-W973 VanDerWaalsContact C-CZ2 3.47Å; L702-W973 HydrophobicContact CB-CD2 3.68Å; L702-W973 HydrophobicContact CB-CE3 3.87Å; L702-W973 HydrophobicContact CB-CG 4.37Å; L702-W973 HydrophobicContact CB-CH2 3.79Å; L702-W973 HydrophobicContact CB-CZ2 3.54Å; L702-W973 HydrophobicContact CB-CZ3 3.93Å; L702-W973 HydrophobicContact CD1-CB 4.09Å; L702-W973 HydrophobicContact CD1-CD2 3.64Å; L702-W973 HydrophobicContact CD1-CE3 3.65Å; L702-W973 HydrophobicContact CD1-CG 3.84Å; L702-W973 HydrophobicContact CD1-CZ3 4.36Å; L702-W973 HydrophobicContact CG-CD2 4.29Å; L702-W973 HydrophobicContact CG-CE3 4.24Å; N703-W973 PolarHBondContact OD1-NE1 3.49Å; K706-W973 HydrophobicContact CD-CZ2 4.25Å; K706-W973 HydrophobicContact CG-CH2 4.28Å; K706-W973 HydrophobicContact CG-CZ2 4.17Å; Y743-W973 HydrophobicContact CD1-CZ3 4.28Å; Y743-W973 HydrophobicContact CD2-CH2 4.42Å; Y743-W973 HydrophobicContact CD2-CZ3 4.1Å; Y743-W973 HydrophobicContact CE1-CH2 4.12Å; Y743-W973 AromaticContact CE1-CZ3 3.94Å; Y743-W973 HydrophobicContact CE1-CZ3 3.94Å; Y743-W973 AromaticContact CE2-CH2 3.65Å; Y743-W973 HydrophobicContact CE2-CH2 3.65Å; Y743-W973 AromaticContact CE2-CZ3 3.76Å; Y743-W973 HydrophobicContact CE2-CZ3 3.76Å; Y743-W973 HydrophobicContact CG-CZ3 4.36Å; Y743-W973 AromaticContact CZ-CH2 3.47Å; Y743-W973 VanDerWaalsContact CZ-CH2 3.47Å; Y743-W973 AromaticContact CZ-CZ3 3.69Å; Y743-W973 WeakPolarHBondContact OH-CH2 3.49Å; V969-W973 WeakPolarHBondContact O-CB 3.34Å; V969-W973 PolarHBondContact O-N 3.3Å; V969-W973 VanDerWaalsContact O-N 3.09Å; I970-W973 PolarHBondContact O-N 3.3Å; I971-W973 VanDerWaalsContact C-N 3.34Å; I971-W973 PolarHBondContact O-N 2.87Å; W973-E976 PolarHBondContact O-N 3.41Å; W973-N977 HydrophobicContact CD2-CB 4.36Å; W973-N977 HydrophobicContact CE3-CB 4.28Å; W973-N977 HydrophobicContact CH2-CB 4.07Å; W973-N977 HydrophobicContact CZ2-CB 4.18Å; W973-N977 HydrophobicContact CZ3-CB 4.12Å; W973-N977 WeakPolarHBondContact O-CB 3.34Å; W973-N977 PolarHBondContact O-N 3.35Å; W973-N977 VanDerWaalsContact O-N 3.09Å; W973-N977 PolarHBondContact O-ND2 2.82Å
974	L	95.8	Very high	80.8	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-46.4	177.3	-73.5	169	0	0	0	110.9	V739 Y740 Y743 I970 I971 Q972 E976 N977 V978	V739-L974 HydrophobicContact CG1-CB 3.79Å; Y740-L974 HydrophobicContact CD2-CD1 4.25Å; Y743-L974 HydrophobicContact CD1-CD2 3.94Å; Y743-L974 HydrophobicContact CD2-CD2 4.49Å; Y743-L974 HydrophobicContact CG-CD2 3.72Å; I970-L974 HydrophobicContact CG2-CD1 3.71Å; I970-L974 HydrophobicContact CG2-CG 4.15Å; I970-L974 WeakPolarHBondContact O-CB 3.17Å; I970-L974 WeakPolarHBondContact O-CG 3.26Å; I970-L974 PolarHBondContact O-N 3.18Å; I971-L974 PolarHBondContact O-N 2.96Å; Q972-L974 VanDerWaalsContact C-N 3.3Å; Q972-L974 PolarHBondContact O-N 3.1Å; L974-E976 PolarHBondContact O-N 2.86Å; L974-N977 PolarHBondContact O-N 3.14Å; L974-N977 VanDerWaalsContact O-N 3.14Å; L974-V978 HydrophobicContact CB-CG2 4.36Å; L974-V978 HydrophobicContact CD2-CG2 4.06Å; L974-V978 VanDerWaalsContact O-CB 3.23Å; L974-V978 WeakPolarHBondContact O-CB 3.33Å; L974-V978 WeakPolarHBondContact O-CG2 3.39Å; L974-V978 PolarHBondContact O-N 3.11Å
975	N	93.5	Very high	78.2	Confident	90 Å²	90	77.2 Å²	77.2	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-32.6	177.6	-71.7	-27.6	0	0	0	112.8	I971 Q972	I971-N975 PolarHBondContact O-N 3.35Å; I971-N975 PolarHBondContact O-ND2 2.9Å; Q972-N975 PolarHBondContact O-N 3.02Å
976	E	94.3	Very high	77.5	Confident	126 Å²	126	78.9 Å²	78.9	59%	0.589	43%	0.426	S	S	*	.	H	α-helix	trans	-78	-23	177.3	-70.7	171.1	-172.2	0	0	113.7	Q972 W973 L974	Q972-E976 WeakPolarHBondContact CG-OE1 3.39Å; Q972-E976 PolarHBondContact NE2-OE1 2.88Å; Q972-E976 WeakPolarHBondContact O-CG 3.39Å; Q972-E976 PolarHBondContact O-N 3.44Å; W973-E976 PolarHBondContact O-N 3.41Å; L974-E976 PolarHBondContact O-N 2.86Å
977	N	92.7	Very high	76.7	Confident	53 Å²	53	82.3 Å²	82.3	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-122.1	-12.5	-167.7	-68.5	-86.1	0	0	0	114.8	K706 W973 L974	K706-N977 WeakPolarHBondContact CE-OD1 3.4Å; K706-N977 PolarHBondContact NZ-OD1 3.05Å; W973-N977 HydrophobicContact CD2-CB 4.36Å; W973-N977 HydrophobicContact CE3-CB 4.28Å; W973-N977 HydrophobicContact CH2-CB 4.07Å; W973-N977 HydrophobicContact CZ2-CB 4.18Å; W973-N977 HydrophobicContact CZ3-CB 4.12Å; W973-N977 WeakPolarHBondContact O-CB 3.34Å; W973-N977 PolarHBondContact O-N 3.35Å; W973-N977 VanDerWaalsContact O-N 3.09Å; W973-N977 PolarHBondContact O-ND2 2.82Å; L974-N977 PolarHBondContact O-N 3.14Å; L974-N977 VanDerWaalsContact O-N 3.14Å
978	V	88.2	Confident	75.8	Confident	14 Å²	14	86.5 Å²	86.5	9%	0.085	47%	0.468	C	S	.	.	S	Bend	trans	-95.4	121.2	172.5	-176.8	0	0	0	0	107.4	V739 A742 Y743 L974 V980	V739-V978 HydrophobicContact CG1-CB 4.29Å; V739-V978 HydrophobicContact CG1-CG2 4.3Å; A742-V978 HydrophobicContact CB-CG1 3.74Å; Y743-V978 HydrophobicContact CD2-CG2 3.86Å; Y743-V978 HydrophobicContact CG-CG2 4.08Å; L974-V978 HydrophobicContact CB-CG2 4.36Å; L974-V978 HydrophobicContact CD2-CG2 4.06Å; L974-V978 VanDerWaalsContact O-CB 3.23Å; L974-V978 WeakPolarHBondContact O-CB 3.33Å; L974-V978 WeakPolarHBondContact O-CG2 3.39Å; L974-V978 PolarHBondContact O-N 3.11Å; V978-V980 PolarHBondContact O-N 2.78Å
979	P	71.2	Confident	74.8	Confident	83 Å²	83	84.5 Å²	84.5	54%	0.539	46%	0.457	S	S	.	.			trans	-54.7	135.3	173.1	-20.4	30.4	0	0	0	109.5	V981	P979-V981 HydrophobicContact CB-CG2 4.32Å; P979-V981 PolarHBondContact O-N 3.44Å
980	V	60.6	Low	73.4	Confident	135 Å²	135	85.8 Å²	85.8	82%	0.818	46%	0.462	S	S	*	.			trans	-66.3	86.3	168	-177.3	0	0	0	0	107.3	V978 T982	V978-V980 PolarHBondContact O-N 2.78Å; V980-T982 PolarHBondContact O-N 3.14Å
981	V	53.9	Low	71.9	Confident	83 Å²	83	91.5 Å²	91.5	50%	0.503	49%	0.492	S	S	.	.			trans	-78.3	101.7	167.5	-175.1	0	0	0	0	105.2	P979 H983	P979-V981 HydrophobicContact CB-CG2 4.32Å; P979-V981 PolarHBondContact O-N 3.44Å; V981-H983 PolarHBondContact O-N 2.85Å
982	T	37.1	Very low	70.3	Confident	125 Å²	125	96.7 Å²	96.7	77%	0.767	52%	0.521	S	S	*	.			trans	-62.8	89.6	164.7	16.5	0	0	0	0	107.2	V980 L984	V980-T982 PolarHBondContact O-N 3.14Å; T982-L984 VanDerWaalsContact C-N 3.34Å; T982-L984 PolarHBondContact O-N 3.08Å
983	H	41.6	Very low	68.3	Low	120 Å²	120	95.2 Å²	95.2	56%	0.556	52%	0.519	S	S	*	.			trans	-71.1	94.1	172.1	-78.9	-66.2	0	0	0	108.3	V981 L985	V981-H983 PolarHBondContact O-N 2.85Å; H983-L985 PolarHBondContact O-N 2.8Å
984	L	28.9	Very low	65.9	Low	177 Å²	177	102.3 Å²	102.3	93%	0.927	56%	0.559	S	S	*	*			trans	-73.1	86.3	150.8	-85.1	156.5	0	0	0	106.8	T982	T982-L984 VanDerWaalsContact C-N 3.34Å; T982-L984 PolarHBondContact O-N 3.08Å
985	L	33.4	Very low	63.2	Low	220 Å²	220	111.5 Å²	111.5	100%	1.152	61%	0.609	S	S	*	*			trans	-128.8	0	159.3	-94.4	168.1	0	0	0	108.9	H983	H983-L985 PolarHBondContact O-N 2.8Å

Retrieved 985 of 985 residues in 310.4 ms (Link to these results)

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