A0A3Q0KD46_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KD46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 839 aa.

						>A0A3Q0KD46_SCHMA|A0A3Q0KD46
MEYDNVDDDFDISEARQLVKTMNRKNRKAGGFQSMGLSVATFNGIIKKGYKIPTPIQRKVLHLRIISLQAIPIILSGRDVVSMARTGSGKTAAFLIPLFEKFPCHSPAGPRALIMSPTRELAIQTLNFTKELGKFTPLKATIILGGDKMEEQFAALHKSPDIIIATPGRFLHVLMEMNLSLKSIEYVVFDEGDRLFELGFAEQLSETLKRLPRSRQTLIFSATLPKNLVEFARAGLVDPILLRLDLHSKLSQDLKLAHITCLPEEKNVILVHLLGKVIHKDEQAVVFFATKHHVESFQMLLTDLGFGCTCIHSGLDPSARNLALKKFRSRTARVLLVTDVAARGVDIPHLDNVINFHFPAQPKLFLHRVGRVARAGRRGVAYSLVDPEELPYLLDVFMFLGKEWKVCQSSNKQVEWESDCVGRAPRSIMSSLAARIESISSENSSLESMKKVCVNAMKRYLQTRPNASWESIRRAKDLRDAHFSLPVHQIFDNSAEKEDVTNNEILGVIRQLKLPTIFEALGKHVNPEAFATMTKKRKLHDHIIARRAAQRAVGQTNNVLKNLVERKVSLTDQLGACNANDEMSDNLENIDFFVPYSRGDEATENGLSITGTKSQFCLDAAAASLDLPNDESQQVHGGVAGSHSRKLVWDRKRKRFTGMDAAHGKANMKRIKTESGVWIPASYKTDKYKLWLKKSKSDIIQETSKSAEESSSVIDASNMHKKFANYGDVIELPDTNEVTGKQNHFLKSSIGKKSKKQQLTPKFAVIGSQKWQDRANSRQKERLQNAEERKKIRKPKGSRTFGQLRLPEQILKQRKLREKQKQRAWKNKNNNQSHKKRKH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	40.1	Very low	235 Å²	235	156.3 Å²	156.3	100%	1.158	78%	0.783	S	S	*	*				0	86.5	0	-74.2	-155.6	-82.2	0	0	106.3
2	E	32.3	Very low	41.1	Very low	154 Å²	154	152.8 Å²	152.8	72%	0.72	77%	0.767	S	S	*	*			trans	-67.3	144.1	177.5	-64.2	99.4	151.8	0	0	111.7
3	Y	44.5	Very low	41.5	Very low	231 Å²	231	145 Å²	145	91%	0.906	74%	0.735	S	S	*	*			trans	-137.5	108.4	148.5	-94.2	-78.2	0	0	0	106.3
4	D	38.4	Very low	42.2	Very low	137 Å²	137	142.9 Å²	142.9	73%	0.733	72%	0.721	S	S	*	*			trans	-68	139.1	-170.3	-64.6	-59.5	0	0	0	112.7	V6	D4-V6 HydrophobicContact CB-CG2 4.48Å; D4-V6 PolarHBondContact O-N 3.43Å
5	N	34.9	Very low	42.9	Very low	157 Å²	157	135.2 Å²	135.2	84%	0.84	69%	0.688	S	S	*	*			trans	-72.4	118.7	158.8	-67	-56.9	0	0	0	107.7
6	V	41.2	Very low	43.6	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	68%	0.683	S	S	*	*			trans	-113.3	112.7	165.9	-178.9	0	0	0	0	107.4	D4 D8	D4-V6 HydrophobicContact CB-CG2 4.48Å; D4-V6 PolarHBondContact O-N 3.43Å; V6-D8 PolarHBondContact O-N 2.86Å
7	D	34.3	Very low	44.2	Very low	143 Å²	143	136.1 Å²	136.1	77%	0.765	68%	0.677	S	S	*	*			trans	-70.7	105	-178.4	-65.8	-62.4	0	0	0	111.3	D9	D7-D9 PolarHBondContact O-N 3.21Å; D7-D9 VanDerWaalsContact O-N 3.12Å
8	D	38.4	Very low	44.8	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	67%	0.666	S	S	*	*			trans	-87.6	56.7	175.9	-130.6	-0.9	0	0	0	110.3	V6 F10	V6-D8 PolarHBondContact O-N 2.86Å; D8-F10 PolarHBondContact O-N 3.47Å
9	D	40.3	Very low	45.5	Very low	158 Å²	158	128.5 Å²	128.5	85%	0.845	64%	0.643	S	S	*	*			trans	-78.3	71.3	-178.2	-135.3	3.3	0	0	0	110.3	D7 D11	D7-D9 PolarHBondContact O-N 3.21Å; D7-D9 VanDerWaalsContact O-N 3.12Å; D9-D11 PolarHBondContact O-N 3.29Å
10	F	47.1	Very low	46.1	Very low	143 Å²	143	129.9 Å²	129.9	63%	0.627	65%	0.645	S	S	*	*			trans	-67	99.5	-175.2	-160.3	-82.1	0	0	0	111.1	D8 I12	D8-F10 PolarHBondContact O-N 3.47Å; F10-I12 PolarHBondContact O-N 2.78Å
11	D	47.2	Very low	46.6	Very low	82 Å²	82	127.5 Å²	127.5	44%	0.439	64%	0.637	S	S	.	*			trans	-55.8	121.2	-166.8	-177.1	11.9	0	0	0	113.2	D9 S13 E14 A15	D9-D11 PolarHBondContact O-N 3.29Å; D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 VanDerWaalsContact O-N 3.1Å; D11-S13 WeakPolarHBondContact OD1-CB 3.41Å; D11-S13 PolarHBondContact OD1-N 3.23Å; D11-S13 WeakPolarHBondContact OD2-CB 3.42Å; D11-S13 PolarHBondContact OD2-OG 3.42Å; D11-E14 HydrophobicContact CB-CG 4.42Å; D11-E14 PolarHBondContact O-N 3.38Å; D11-A15 PolarHBondContact O-N 3.04Å
12	I	51.9	Low	47.1	Very low	115 Å²	115	121.5 Å²	121.5	59%	0.59	61%	0.608	S	S	*	*	H	α-helix	trans	-57.2	-25.1	175.6	-63.3	170.3	0	0	0	110.9	F10 R16	F10-I12 PolarHBondContact O-N 2.78Å; I12-R16 WeakPolarHBondContact O-CD 3.49Å; I12-R16 WeakPolarHBondContact O-CG 3.41Å; I12-R16 PolarHBondContact O-N 3.29Å
13	S	47.2	Very low	47.8	Very low	51 Å²	51	116.4 Å²	116.4	36%	0.357	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-47.5	173.9	106.4	0	0	0	0	112.2	D11 R16 Q17	D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 VanDerWaalsContact O-N 3.1Å; D11-S13 WeakPolarHBondContact OD1-CB 3.41Å; D11-S13 PolarHBondContact OD1-N 3.23Å; D11-S13 WeakPolarHBondContact OD2-CB 3.42Å; D11-S13 PolarHBondContact OD2-OG 3.42Å; S13-R16 WeakPolarHBondContact O-CB 3.17Å; S13-R16 PolarHBondContact O-N 3.09Å; S13-Q17 WeakPolarHBondContact O-CG 3.48Å; S13-Q17 PolarHBondContact O-N 3.43Å
14	E	51.3	Low	48.2	Very low	116 Å²	116	115.5 Å²	115.5	54%	0.542	58%	0.581	S	S	.	*	H	α-helix	trans	-66.2	-43	179.5	-69	-156.4	137.1	0	0	111.8	D11 R16 Q17 L18	D11-E14 HydrophobicContact CB-CG 4.42Å; D11-E14 PolarHBondContact O-N 3.38Å; E14-R16 PolarHBondContact O-N 2.79Å; E14-Q17 CarbonylContact O-C 3.6Å; E14-Q17 WeakPolarHBondContact O-CA 3.47Å; E14-Q17 PolarHBondContact O-N 3.33Å; E14-L18 PolarHBondContact O-N 3.2Å
15	A	51.6	Low	48.6	Very low	27 Å²	27	118 Å²	118	22%	0.223	59%	0.585	C	S	.	*	H	α-helix	trans	-56.8	-38.1	174.2	0	0	0	0	0	111.9	D11 V19	D11-A15 PolarHBondContact O-N 3.04Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.33Å; A15-V19 VanDerWaalsContact O-N 3.1Å
16	R	53.9	Low	49.1	Very low	159 Å²	159	114.4 Å²	114.4	60%	0.6	57%	0.566	S	S	*	*	H	α-helix	trans	-70.1	-34.8	173.8	-73.6	168	175.4	178.5	0.5	112.6	I12 S13 E14 K20	I12-R16 WeakPolarHBondContact O-CD 3.49Å; I12-R16 WeakPolarHBondContact O-CG 3.41Å; I12-R16 PolarHBondContact O-N 3.29Å; S13-R16 WeakPolarHBondContact O-CB 3.17Å; S13-R16 PolarHBondContact O-N 3.09Å; E14-R16 PolarHBondContact O-N 2.79Å; R16-K20 WeakPolarHBondContact O-CB 3.07Å; R16-K20 VanDerWaalsContact O-CG 3.31Å; R16-K20 WeakPolarHBondContact O-CG 3.5Å; R16-K20 PolarHBondContact O-N 2.91Å
17	Q	54.3	Low	49.3	Very low	126 Å²	126	118.4 Å²	118.4	59%	0.589	57%	0.567	S	S	*	*	H	α-helix	trans	-70.9	-41	175.8	-67.4	-167.7	38.9	0	0	112.3	S13 E14 K20 T21	S13-Q17 WeakPolarHBondContact O-CG 3.48Å; S13-Q17 PolarHBondContact O-N 3.43Å; E14-Q17 CarbonylContact O-C 3.6Å; E14-Q17 WeakPolarHBondContact O-CA 3.47Å; E14-Q17 PolarHBondContact O-N 3.33Å; Q17-K20 PolarHBondContact O-N 2.89Å; Q17-T21 PolarHBondContact O-N 3.42Å; Q17-T21 PolarHBondContact O-OG1 3.46Å
18	L	56.1	Low	49.7	Very low	90 Å²	90	121.9 Å²	121.9	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-60.6	-45.9	173.1	-90.8	161.8	0	0	0	111.9	E14 K20 T21 M22	E14-L18 PolarHBondContact O-N 3.2Å; L18-K20 PolarHBondContact O-N 2.87Å; L18-T21 WeakPolarHBondContact CA-OG1 3.48Å; L18-T21 PolarHBondContact O-N 2.94Å; L18-T21 PolarHBondContact O-OG1 3.28Å; L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.44Å; L18-M22 PolarHBondContact O-N 3.4Å
19	V	56.4	Low	50.1	Low	38 Å²	38	117.3 Å²	117.3	23%	0.23	56%	0.559	C	S	.	*	H	α-helix	trans	-63.8	-39.7	175.5	170.3	0	0	0	0	111.5	A15 N23 V39	A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.33Å; A15-V19 VanDerWaalsContact O-N 3.1Å; V19-N23 WeakPolarHBondContact O-CB 3.42Å; V19-N23 PolarHBondContact O-N 2.83Å; V19-N23 PolarHBondContact O-ND2 3.47Å; V19-V39 HydrophobicContact CG2-CG1 4.5Å; V19-V39 HydrophobicContact CG2-CG2 4.15Å
20	K	59.2	Low	51	Low	156 Å²	156	112.4 Å²	112.4	68%	0.678	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-42.5	174.6	-79.2	175.4	178.5	179	0	113	R16 Q17 L18 R24	R16-K20 WeakPolarHBondContact O-CB 3.07Å; R16-K20 VanDerWaalsContact O-CG 3.31Å; R16-K20 WeakPolarHBondContact O-CG 3.5Å; R16-K20 PolarHBondContact O-N 2.91Å; Q17-K20 PolarHBondContact O-N 2.89Å; L18-K20 PolarHBondContact O-N 2.87Å; K20-R24 PolarHBondContact O-N 3.41Å
21	T	55.8	Low	52	Low	80 Å²	80	106.4 Å²	106.4	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-72	-40	-179.3	46.6	0	0	0	0	112.3	Q17 L18 R24 K25	Q17-T21 PolarHBondContact O-N 3.42Å; Q17-T21 PolarHBondContact O-OG1 3.46Å; L18-T21 WeakPolarHBondContact CA-OG1 3.48Å; L18-T21 PolarHBondContact O-N 2.94Å; L18-T21 PolarHBondContact O-OG1 3.28Å; T21-R24 PolarHBondContact O-N 2.85Å; T21-K25 PolarHBondContact O-N 2.86Å
22	M	52.2	Low	53.2	Low	110 Å²	110	102.8 Å²	102.8	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-41.4	172.4	-69.6	-158.2	-179.2	0	0	112.5	L18 R24 K25 N26	L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.44Å; L18-M22 PolarHBondContact O-N 3.4Å; M22-R24 PolarHBondContact O-N 2.89Å; M22-K25 PolarHBondContact O-N 3.42Å; M22-K25 VanDerWaalsContact O-N 3.15Å; M22-N26 PolarHBondContact O-N 2.8Å
23	N	48.5	Very low	54.1	Low	47 Å²	47	100.4 Å²	100.4	25%	0.251	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-25.7	176.3	-76.2	-13.4	0	0	0	113.2	V19 Q33	V19-N23 WeakPolarHBondContact O-CB 3.42Å; V19-N23 PolarHBondContact O-N 2.83Å; V19-N23 PolarHBondContact O-ND2 3.47Å; N23-Q33 PolarHBondContact OD1-O 2.88Å; N23-Q33 VanDerWaalsContact OD1-O 3.13Å
24	R	52.5	Low	55.1	Low	212 Å²	212	100 Å²	100	80%	0.8	49%	0.488	S	S	*	.	H	α-helix	trans	-71.6	-39.8	173.6	-108.5	-179.1	172.7	179.9	-2.7	112.7	K20 T21 M22	K20-R24 PolarHBondContact O-N 3.41Å; T21-R24 PolarHBondContact O-N 2.85Å; M22-R24 PolarHBondContact O-N 2.89Å
25	K	46.8	Very low	55.9	Low	190 Å²	190	95.5 Å²	95.5	83%	0.826	47%	0.468	S	S	*	.	H	α-helix	trans	-77.8	-31.2	-174.8	-70	-175.2	176.5	-179.1	0	113.9	T21 M22	T21-K25 PolarHBondContact O-N 2.86Å; M22-K25 PolarHBondContact O-N 3.42Å; M22-K25 VanDerWaalsContact O-N 3.15Å
26	N	44.3	Very low	56.8	Low	81 Å²	81	97 Å²	97	43%	0.433	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	13.5	-173.4	-79.1	-8.5	0	0	0	116.3	M22 K28 A29 Q33	M22-N26 PolarHBondContact O-N 2.8Å; N26-K28 PolarHBondContact O-N 3.28Å; N26-A29 PolarHBondContact O-N 3.3Å; N26-Q33 PolarHBondContact ND2-OE1 3.47Å
27	R	46.8	Very low	58	Low	209 Å²	209	90.1 Å²	90.1	79%	0.789	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.1	-172.8	-110.8	177.7	171.7	-166.1	-4.1	116.9
28	K	42.3	Very low	59.4	Low	216 Å²	216	86.4 Å²	86.4	94%	0.939	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.8	175.4	-68.8	-174.4	178.1	-179.5	0	114.1	N26	N26-K28 PolarHBondContact O-N 3.28Å
29	A	47	Very low	60.7	Low	58 Å²	58	84.3 Å²	84.3	48%	0.479	44%	0.439	S	S	.	.	S	Bend	trans	-96.3	120.6	178.3	0	0	0	0	0	111.1	N26 G31	N26-A29 PolarHBondContact O-N 3.3Å; A29-G31 PolarHBondContact O-N 2.89Å
30	G	57.7	Low	62.1	Low	55 Å²	55	83.9 Å²	83.9	57%	0.567	44%	0.44	S	S	*	.			trans	-72.5	37.6	-178.1	0	0	0	0	0	115.8	P53	G30-P53 WeakPolarHBondContact O-CD 3.29Å; G30-P53 WeakPolarHBondContact O-CG 3.48Å
31	G	69.2	Low	63.3	Low	17 Å²	17	76.5 Å²	76.5	18%	0.175	41%	0.408	C	S	.	.	S	Bend	trans	-87.1	174.3	173.9	0	0	0	0	0	112.9	A29 Q33 S34	A29-G31 PolarHBondContact O-N 2.89Å; G31-Q33 PolarHBondContact O-N 3.07Å; G31-Q33 VanDerWaalsContact O-N 3.14Å; G31-S34 WeakPolarHBondContact O-CB 3.47Å; G31-S34 PolarHBondContact O-N 3.26Å; G31-S34 PolarHBondContact O-OG 3.31Å
32	F	72.6	Confident	64.7	Low	6 Å²	6	74.3 Å²	74.3	3%	0.026	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.3	-177.3	-69.1	-83	0	0	0	114.3	S34 M35 L37 F42 I45 Y50 P53 I96	F32-S34 PolarHBondContact O-N 3.45Å; F32-M35 HydrophobicContact CD1-SD 3.83Å; F32-M35 HydrophobicContact CE1-SD 4.46Å; F32-M35 WeakPolarHBondContact O-CB 3.42Å; F32-M35 PolarHBondContact O-N 2.87Å; F32-M35 VanDerWaalsContact O-N 3.09Å; F32-L37 HydrophobicContact CD1-CD1 4.41Å; F32-F42 HydrophobicContact CB-CD2 4.35Å; F32-F42 HydrophobicContact CB-CE2 4.13Å; F32-I45 HydrophobicContact CB-CG2 4.32Å; F32-I45 HydrophobicContact CD1-CD1 3.91Å; F32-I45 HydrophobicContact CD1-CG2 4.11Å; F32-I45 HydrophobicContact CD2-CG2 3.64Å; F32-I45 HydrophobicContact CE1-CD1 4.3Å; F32-I45 HydrophobicContact CE1-CG2 4.28Å; F32-I45 HydrophobicContact CE2-CG2 3.86Å; F32-I45 HydrophobicContact CG-CD1 4.37Å; F32-I45 HydrophobicContact CG-CG2 3.77Å; F32-I45 HydrophobicContact CZ-CG2 4.16Å; F32-Y50 WeakPolarHBondContact CD2-O 3.3Å; F32-Y50 WeakPolarHBondContact CE2-O 3.35Å; F32-P53 HydrophobicContact CD1-CB 4.29Å; F32-P53 HydrophobicContact CE1-CB 3.79Å; F32-P53 HydrophobicContact CE2-CB 4.11Å; F32-P53 VanDerWaalsContact CZ-CA 3.47Å; F32-P53 HydrophobicContact CZ-CB 3.7Å; F32-I96 HydrophobicContact CE1-CD1 3.94Å
33	Q	71.1	Confident	66.3	Low	65 Å²	65	72.1 Å²	72.1	30%	0.304	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37.9	173	-68.4	173.1	-9.8	0	0	112.2	N23 N26 G31 M35 F42	N23-Q33 PolarHBondContact OD1-O 2.88Å; N23-Q33 VanDerWaalsContact OD1-O 3.13Å; N26-Q33 PolarHBondContact ND2-OE1 3.47Å; G31-Q33 PolarHBondContact O-N 3.07Å; G31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-M35 PolarHBondContact O-N 2.83Å; Q33-F42 HydrophobicContact CG-CE1 4.43Å; Q33-F42 HydrophobicContact CG-CE2 3.7Å; Q33-F42 HydrophobicContact CG-CZ 3.4Å; Q33-F42 VanDerWaalsContact CG-CZ 3.4Å
34	S	67.3	Low	68.2	Low	43 Å²	43	69.9 Å²	69.9	30%	0.301	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-69.4	-11.1	-179.2	69.6	0	0	0	0	114.6	G31 F32	G31-S34 WeakPolarHBondContact O-CB 3.47Å; G31-S34 PolarHBondContact O-N 3.26Å; G31-S34 PolarHBondContact O-OG 3.31Å; F32-S34 PolarHBondContact O-N 3.45Å
35	M	68.5	Low	69.8	Low	21 Å²	21	59.8 Å²	59.8	10%	0.103	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-89.6	-8.5	-174.9	-64.4	174.3	166.6	0	0	114.2	F32 Q33 L37 P53 L61 H62	F32-M35 HydrophobicContact CD1-SD 3.83Å; F32-M35 HydrophobicContact CE1-SD 4.46Å; F32-M35 WeakPolarHBondContact O-CB 3.42Å; F32-M35 PolarHBondContact O-N 2.87Å; F32-M35 VanDerWaalsContact O-N 3.09Å; Q33-M35 PolarHBondContact O-N 2.83Å; M35-L37 HydrophobicContact CB-CD1 4.45Å; M35-L37 HydrophobicContact CB-CD2 4.43Å; M35-L37 HydrophobicContact CB-CG 4.04Å; M35-L37 PolarHBondContact O-N 2.61Å; M35-P53 HydrophobicContact CE-CB 3.75Å; M35-P53 HydrophobicContact CE-CG 3.69Å; M35-L61 HydrophobicContact CE-CB 3.91Å; M35-L61 HydrophobicContact CE-CD1 4.43Å; M35-L61 HydrophobicContact SD-CB 3.87Å; M35-L61 HydrophobicContact SD-CD1 3.97Å; M35-H62 HydrophobicContact CE-CB 4.08Å
36	G	70.9	Confident	71.6	Confident	58 Å²	58	55.4 Å²	55.4	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	26.7	176.2	0	0	0	0	0	115.4
37	L	79.2	Confident	73.7	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.079	32%	0.322	C	S	.	.			trans	-68.4	155	179.9	-56.4	174.3	0	0	0	112.5	F32 M35 T41 I45 I96 E100	F32-L37 HydrophobicContact CD1-CD1 4.41Å; M35-L37 HydrophobicContact CB-CD1 4.45Å; M35-L37 HydrophobicContact CB-CD2 4.43Å; M35-L37 HydrophobicContact CB-CG 4.04Å; M35-L37 PolarHBondContact O-N 2.61Å; L37-T41 HydrophobicContact CD1-CG2 4.49Å; L37-I45 HydrophobicContact CD1-CD1 3.46Å; L37-I45 VanDerWaalsContact CD1-CD1 3.46Å; L37-I96 HydrophobicContact CD1-CG2 3.84Å; L37-I96 HydrophobicContact CD2-CG2 3.63Å; L37-I96 HydrophobicContact CG-CG2 4.41Å; L37-E100 HydrophobicContact CD2-CG 3.85Å
38	S	82.2	Confident	75.5	Confident	47 Å²	47	51.5 Å²	51.5	33%	0.329	30%	0.301	S	S	.	.			trans	-59.3	151.9	172.1	74	0	0	0	0	112.7	A40 T41 F42 E100	S38-A40 VanDerWaalsContact C-N 3.27Å; S38-A40 PolarHBondContact O-N 3.14Å; S38-T41 PolarHBondContact O-N 3.18Å; S38-T41 PolarHBondContact OG-N 2.86Å; S38-T41 PolarHBondContact OG-OG1 3Å; S38-T41 VanDerWaalsContact OG-OG1 3.1Å; S38-F42 VanDerWaalsContact O-CB 3.29Å; S38-F42 WeakPolarHBondContact O-CB 3.41Å; S38-F42 PolarHBondContact O-N 3.24Å; S38-E100 WeakPolarHBondContact CB-OE1 3.41Å; S38-E100 WeakPolarHBondContact CB-OE2 3.3Å; S38-E100 VanDerWaalsContact N-CD 3.31Å; S38-E100 PolarHBondContact N-OE1 3.22Å; S38-E100 VanDerWaalsContact N-OE1 3.16Å; S38-E100 PolarHBondContact N-OE2 3.11Å; S38-E100 PolarHBondContact OG-OE1 2.83Å
39	V	83.6	Confident	77.4	Confident	46 Å²	46	43.7 Å²	43.7	28%	0.279	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-39.7	-178.1	-168.1	0	0	0	0	111.4	V19 F42 N43	V19-V39 HydrophobicContact CG2-CG1 4.5Å; V19-V39 HydrophobicContact CG2-CG2 4.15Å; V39-F42 PolarHBondContact O-N 3.19Å; V39-N43 VanDerWaalsContact O-CB 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.45Å; V39-N43 PolarHBondContact O-N 3.09Å; V39-N43 PolarHBondContact O-ND2 3.39Å
40	A	86.1	Confident	79	Confident	30 Å²	30	44.6 Å²	44.6	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-52.7	177.8	0	0	0	0	0	112.4	S38 F42 N43 G44 F135 T136	S38-A40 VanDerWaalsContact C-N 3.27Å; S38-A40 PolarHBondContact O-N 3.14Å; A40-F42 VanDerWaalsContact C-N 3.34Å; A40-F42 PolarHBondContact O-N 2.89Å; A40-N43 PolarHBondContact O-N 3.04Å; A40-G44 PolarHBondContact O-N 3.33Å; A40-F135 HydrophobicContact CB-CB 4.15Å; A40-F135 VanDerWaalsContact CB-O 3.29Å; A40-F135 WeakPolarHBondContact CB-O 3.36Å; A40-T136 HydrophobicContact CB-CG2 4.11Å
41	T	84.2	Confident	79.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-42.2	177.7	-57.1	0	0	0	0	111.2	L37 S38 G44 I45 I96 F99 E100	L37-T41 HydrophobicContact CD1-CG2 4.49Å; S38-T41 PolarHBondContact O-N 3.18Å; S38-T41 PolarHBondContact OG-N 2.86Å; S38-T41 PolarHBondContact OG-OG1 3Å; S38-T41 VanDerWaalsContact OG-OG1 3.1Å; T41-G44 PolarHBondContact O-N 3.33Å; T41-I45 HydrophobicContact CG2-CD1 4.04Å; T41-I45 VanDerWaalsContact O-CG1 3.31Å; T41-I45 WeakPolarHBondContact O-CG1 3.28Å; T41-I45 PolarHBondContact O-N 3.4Å; T41-I96 HydrophobicContact CG2-CB 4.49Å; T41-I96 HydrophobicContact CG2-CG1 4.34Å; T41-I96 HydrophobicContact CG2-CG2 4.06Å; T41-F99 HydrophobicContact CG2-CB 4.44Å; T41-F99 WeakPolarHBondContact OG1-CB 3.5Å; T41-E100 WeakPolarHBondContact CB-OE1 3.3Å; T41-E100 PolarHBondContact OG1-OE1 3.48Å
42	F	85.3	Confident	80.3	Confident	34 Å²	34	55.6 Å²	55.6	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-43.7	179.6	-175	-111	0	0	0	112.6	F32 Q33 S38 V39 A40 G44 I45 I46	F32-F42 HydrophobicContact CB-CD2 4.35Å; F32-F42 HydrophobicContact CB-CE2 4.13Å; Q33-F42 HydrophobicContact CG-CE1 4.43Å; Q33-F42 HydrophobicContact CG-CE2 3.7Å; Q33-F42 HydrophobicContact CG-CZ 3.4Å; Q33-F42 VanDerWaalsContact CG-CZ 3.4Å; S38-F42 VanDerWaalsContact O-CB 3.29Å; S38-F42 WeakPolarHBondContact O-CB 3.41Å; S38-F42 PolarHBondContact O-N 3.24Å; V39-F42 PolarHBondContact O-N 3.19Å; A40-F42 VanDerWaalsContact C-N 3.34Å; A40-F42 PolarHBondContact O-N 2.89Å; F42-G44 VanDerWaalsContact C-N 3.28Å; F42-G44 PolarHBondContact O-N 3.22Å; F42-I45 WeakPolarHBondContact O-CB 3.24Å; F42-I45 PolarHBondContact O-N 3.14Å; F42-I46 HydrophobicContact CD1-CD1 3.89Å; F42-I46 HydrophobicContact CE1-CD1 3.31Å; F42-I46 HydrophobicContact CE1-CG1 4.27Å; F42-I46 HydrophobicContact CE2-CD1 4.31Å; F42-I46 HydrophobicContact CZ-CD1 3.55Å; F42-I46 HydrophobicContact CZ-CG1 4.17Å; F42-I46 PolarHBondContact O-N 3.47Å
43	N	87	Confident	80.5	Confident	64 Å²	64	55.3 Å²	55.3	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-37.1	173.4	-72.8	-8.3	0	0	0	111.7	V39 A40 K47 F135	V39-N43 VanDerWaalsContact O-CB 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.45Å; V39-N43 PolarHBondContact O-N 3.09Å; V39-N43 PolarHBondContact O-ND2 3.39Å; A40-N43 PolarHBondContact O-N 3.04Å; N43-K47 VanDerWaalsContact O-CB 3.26Å; N43-K47 WeakPolarHBondContact O-CB 3.08Å; N43-K47 PolarHBondContact O-N 3.44Å; N43-F135 HydrophobicContact CB-CD2 3.64Å; N43-F135 HydrophobicContact CB-CE2 3.76Å; N43-F135 HydrophobicContact CB-CG 4.07Å; N43-F135 HydrophobicContact CB-CZ 4.29Å
44	G	87.2	Confident	80.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-45.9	171.9	0	0	0	0	0	113.3	A40 T41 F42 K47 K48 L132	A40-G44 PolarHBondContact O-N 3.33Å; T41-G44 PolarHBondContact O-N 3.33Å; F42-G44 VanDerWaalsContact C-N 3.28Å; F42-G44 PolarHBondContact O-N 3.22Å; G44-K47 PolarHBondContact O-N 3.28Å; G44-K48 WeakPolarHBondContact O-CB 3.4Å; G44-K48 PolarHBondContact O-N 3.47Å; G44-L132 WeakPolarHBondContact CA-O 3.42Å
45	I	85.6	Confident	80.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-47	177.8	-68.7	166.5	0	0	0	110.9	F32 L37 T41 F42 K48 G49 Y50 I96 L132	F32-I45 HydrophobicContact CB-CG2 4.32Å; F32-I45 HydrophobicContact CD1-CD1 3.91Å; F32-I45 HydrophobicContact CD1-CG2 4.11Å; F32-I45 HydrophobicContact CD2-CG2 3.64Å; F32-I45 HydrophobicContact CE1-CD1 4.3Å; F32-I45 HydrophobicContact CE1-CG2 4.28Å; F32-I45 HydrophobicContact CE2-CG2 3.86Å; F32-I45 HydrophobicContact CG-CD1 4.37Å; F32-I45 HydrophobicContact CG-CG2 3.77Å; F32-I45 HydrophobicContact CZ-CG2 4.16Å; L37-I45 HydrophobicContact CD1-CD1 3.46Å; L37-I45 VanDerWaalsContact CD1-CD1 3.46Å; T41-I45 HydrophobicContact CG2-CD1 4.04Å; T41-I45 VanDerWaalsContact O-CG1 3.31Å; T41-I45 WeakPolarHBondContact O-CG1 3.28Å; T41-I45 PolarHBondContact O-N 3.4Å; F42-I45 WeakPolarHBondContact O-CB 3.24Å; F42-I45 PolarHBondContact O-N 3.14Å; I45-K48 PolarHBondContact O-N 3.07Å; I45-G49 PolarHBondContact O-N 3.15Å; I45-Y50 PolarHBondContact O-N 3.4Å; I45-I96 HydrophobicContact CD1-CD1 3.69Å; I45-I96 HydrophobicContact CD1-CG1 4.04Å; I45-I96 HydrophobicContact CG1-CD1 4.12Å; I45-I96 HydrophobicContact CG1-CG1 4.4Å; I45-L132 HydrophobicContact CB-CD1 4.46Å; I45-L132 HydrophobicContact CG1-CD1 3.76Å
46	I	86	Confident	81.1	Confident	97 Å²	97	54.9 Å²	54.9	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-49.6	176	-72.4	175.9	0	0	0	110.4	F42 K48 G49	F42-I46 HydrophobicContact CD1-CD1 3.89Å; F42-I46 HydrophobicContact CE1-CD1 3.31Å; F42-I46 HydrophobicContact CE1-CG1 4.27Å; F42-I46 HydrophobicContact CE2-CD1 4.31Å; F42-I46 HydrophobicContact CZ-CD1 3.55Å; F42-I46 HydrophobicContact CZ-CG1 4.17Å; F42-I46 PolarHBondContact O-N 3.47Å; I46-K48 PolarHBondContact O-N 2.8Å; I46-G49 WeakPolarHBondContact O-CA 3.46Å; I46-G49 PolarHBondContact O-N 2.96Å
47	K	87.8	Confident	81.4	Confident	128 Å²	128	52.2 Å²	52.2	56%	0.557	28%	0.279	S	S	*	.	H	α-helix	trans	-59.7	-31.9	-179.5	-170.5	-178.6	-174.8	79.8	0	112.5	N43 G44 G49 K134 F135	N43-K47 VanDerWaalsContact O-CB 3.26Å; N43-K47 WeakPolarHBondContact O-CB 3.08Å; N43-K47 PolarHBondContact O-N 3.44Å; G44-K47 PolarHBondContact O-N 3.28Å; K47-G49 VanDerWaalsContact C-N 3.25Å; K47-G49 PolarHBondContact O-N 2.96Å; K47-K134 HydrophobicContact CD-CD 4.26Å; K47-F135 HydrophobicContact CB-CE2 4.21Å; K47-F135 HydrophobicContact CD-CE2 3.88Å; K47-F135 HydrophobicContact CD-CZ 4.06Å
48	K	83.8	Confident	81.1	Confident	80 Å²	80	57 Å²	57	35%	0.348	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.3	175.4	-168.3	53.8	-177.8	174.1	0	113.7	G44 I45 I46 Y50 E131	G44-K48 WeakPolarHBondContact O-CB 3.4Å; G44-K48 PolarHBondContact O-N 3.47Å; I45-K48 PolarHBondContact O-N 3.07Å; I46-K48 PolarHBondContact O-N 2.8Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CG-CD2 4.21Å; K48-Y50 HydrophobicContact CG-CE1 4.46Å; K48-Y50 HydrophobicContact CG-CE2 3.92Å; K48-E131 WeakPolarHBondContact CE-OE2 3.49Å; K48-E131 IonicContact NZ-OE2 3.13Å; K48-E131 PolarHBondContact NZ-OE2 3.33Å
49	G	83.4	Confident	80.4	Confident	52 Å²	52	59.1 Å²	59.1	54%	0.536	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	14	178.4	0	0	0	0	0	114.7	I45 I46 K47 K51	I45-G49 PolarHBondContact O-N 3.15Å; I46-G49 WeakPolarHBondContact O-CA 3.46Å; I46-G49 PolarHBondContact O-N 2.96Å; K47-G49 VanDerWaalsContact C-N 3.25Å; K47-G49 PolarHBondContact O-N 2.96Å; G49-K51 PolarHBondContact O-N 3.36Å
50	Y	79.8	Confident	79.4	Confident	77 Å²	77	57 Å²	57	30%	0.302	29%	0.286	S	S	.	.			trans	-84.7	96.2	-175.9	-70.2	-24.7	0	0	0	112.7	F32 I45 K48 A92 F128	F32-Y50 WeakPolarHBondContact CD2-O 3.3Å; F32-Y50 WeakPolarHBondContact CE2-O 3.35Å; I45-Y50 PolarHBondContact O-N 3.4Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CG-CD2 4.21Å; K48-Y50 HydrophobicContact CG-CE1 4.46Å; K48-Y50 HydrophobicContact CG-CE2 3.92Å; Y50-A92 HydrophobicContact CE2-CB 4.2Å; Y50-F128 HydrophobicContact CE2-CE2 4.27Å; Y50-F128 AromaticContact CE2-CZ 3.79Å; Y50-F128 HydrophobicContact CE2-CZ 3.79Å; Y50-F128 WeakPolarHBondContact OH-CE2 3.36Å; Y50-F128 WeakPolarHBondContact OH-CZ 3.5Å
51	K	77.3	Confident	78.1	Confident	188 Å²	188	55.7 Å²	55.7	82%	0.817	28%	0.275	S	S	*	.			trans	-74.5	-43.7	177.3	-60.3	-174.9	179.1	-175.4	0	113.5	G49	G49-K51 PolarHBondContact O-N 3.36Å
52	I	78.2	Confident	76.8	Confident	115 Å²	115	59.6 Å²	59.6	59%	0.59	29%	0.293	S	S	*	.	S	Bend	trans	-129.6	131.7	-171.1	-57	175.7	0	0	0	109.5
53	P	76.4	Confident	74.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.306	C	S	.	.			trans	-66	137.8	175.7	26.1	-33.6	0	0	0	111.4	G30 F32 M35 Q57 R58	G30-P53 WeakPolarHBondContact O-CD 3.29Å; G30-P53 WeakPolarHBondContact O-CG 3.48Å; F32-P53 HydrophobicContact CD1-CB 4.29Å; F32-P53 HydrophobicContact CE1-CB 3.79Å; F32-P53 HydrophobicContact CE2-CB 4.11Å; F32-P53 VanDerWaalsContact CZ-CA 3.47Å; F32-P53 HydrophobicContact CZ-CB 3.7Å; M35-P53 HydrophobicContact CE-CB 3.75Å; M35-P53 HydrophobicContact CE-CG 3.69Å; P53-Q57 HydrophobicContact CB-CB 3.96Å; P53-R58 HydrophobicContact CB-CG 3.89Å; P53-R58 HydrophobicContact CG-CG 3.71Å; P53-R58 PolarHBondContact O-NE 3.09Å; P53-R58 PolarHBondContact O-NH2 2.86Å
54	T	73.9	Confident	72.3	Confident	40 Å²	40	69.2 Å²	69.2	25%	0.245	33%	0.329	C	S	.	.			trans	-68.3	163.7	175.2	66.2	0	0	0	0	111.5	I56 Q57 R58 S88	T54-I56 VanDerWaalsContact C-N 3.26Å; T54-I56 PolarHBondContact O-N 3.14Å; T54-I56 WeakPolarHBondContact OG1-CG2 3.43Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 PolarHBondContact O-N 2.83Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.41Å; T54-Q57 PolarHBondContact OG1-N 3.48Å; T54-Q57 PolarHBondContact OG1-OE1 3.08Å; T54-R58 PolarHBondContact O-N 3.01Å; T54-S88 WeakPolarHBondContact CB-O 3.48Å; T54-S88 PolarHBondContact OG1-O 3.15Å
55	P	72.8	Confident	69.8	Low	78 Å²	78	75.2 Å²	75.2	51%	0.506	36%	0.36	S	S	.	.	H	α-helix	trans	-57.1	-33.8	-179.7	-28.4	36.7	0	0	0	114.7	K59	P55-K59 PolarHBondContact O-N 3.21Å
56	I	72	Confident	67.2	Low	2 Å²	2	82.3 Å²	82.3	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-48.5	171.9	-171.4	158.6	0	0	0	111.3	T54 R58 K59 V60 S82 A84 S88 K90 A93 F220 L244	T54-I56 VanDerWaalsContact C-N 3.26Å; T54-I56 PolarHBondContact O-N 3.14Å; T54-I56 WeakPolarHBondContact OG1-CG2 3.43Å; I56-R58 PolarHBondContact O-N 3.46Å; I56-K59 PolarHBondContact O-N 2.8Å; I56-V60 HydrophobicContact CG1-CG2 3.78Å; I56-V60 WeakPolarHBondContact O-CB 3.33Å; I56-V60 WeakPolarHBondContact O-CG2 3.47Å; I56-V60 PolarHBondContact O-N 3.23Å; I56-S82 VanDerWaalsContact CD1-OG 3.3Å; I56-S82 WeakPolarHBondContact CD1-OG 3.27Å; I56-A84 HydrophobicContact CD1-CB 3.61Å; I56-S88 WeakPolarHBondContact CG2-O 3.29Å; I56-K90 HydrophobicContact CD1-CG 4.11Å; I56-A93 HydrophobicContact CG1-CB 4.22Å; I56-A93 HydrophobicContact CG2-CB 4.39Å; I56-F220 HydrophobicContact CD1-CD1 4.12Å; I56-F220 HydrophobicContact CD1-CE1 4Å; I56-L244 HydrophobicContact CB-CD1 3.39Å; I56-L244 HydrophobicContact CD1-CD1 3.98Å; I56-L244 HydrophobicContact CG1-CD1 3.8Å
57	Q	76.7	Confident	64.3	Low	2 Å²	2	82.6 Å²	82.6	1%	0.009	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-37.2	178.1	-69.4	159.2	4	0	0	110.6	P53 T54 L61 G89 A93	P53-Q57 HydrophobicContact CB-CB 3.96Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 PolarHBondContact O-N 2.83Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.41Å; T54-Q57 PolarHBondContact OG1-N 3.48Å; T54-Q57 PolarHBondContact OG1-OE1 3.08Å; Q57-L61 HydrophobicContact CB-CD1 4.12Å; Q57-L61 WeakPolarHBondContact O-CA 3.49Å; Q57-L61 WeakPolarHBondContact O-CB 3.18Å; Q57-L61 WeakPolarHBondContact O-CG 3.05Å; Q57-L61 PolarHBondContact O-N 3.05Å; Q57-G89 PolarHBondContact NE2-O 3.32Å; Q57-A93 HydrophobicContact CG-CB 3.99Å
58	R	73.3	Confident	61.3	Low	115 Å²	115	84.4 Å²	84.4	43%	0.434	42%	0.422	S	S	.	.	H	α-helix	trans	-63.8	-60.1	171	-68.7	-175.6	-130.7	163.1	2.7	111.8	P53 T54 I56 V60 L61 H62	P53-R58 HydrophobicContact CB-CG 3.89Å; P53-R58 HydrophobicContact CG-CG 3.71Å; P53-R58 PolarHBondContact O-NE 3.09Å; P53-R58 PolarHBondContact O-NH2 2.86Å; T54-R58 PolarHBondContact O-N 3.01Å; I56-R58 PolarHBondContact O-N 3.46Å; R58-V60 PolarHBondContact O-N 3.31Å; R58-V60 VanDerWaalsContact O-N 3.11Å; R58-L61 PolarHBondContact O-N 2.9Å; R58-H62 CarbonylContact O-C 3.55Å; R58-H62 WeakPolarHBondContact O-CA 3.44Å; R58-H62 WeakPolarHBondContact O-CB 3.18Å; R58-H62 PolarHBondContact O-N 3.04Å
59	K	68.3	Low	58.6	Low	92 Å²	92	89.5 Å²	89.5	40%	0.4	45%	0.447	S	S	.	.	H	α-helix	trans	-57.8	-32.9	-177.9	-69.1	-157	-170.2	-176.8	0	113.4	P55 I56 R243 L244	P55-K59 PolarHBondContact O-N 3.21Å; I56-K59 PolarHBondContact O-N 2.8Å; K59-R243 PolarHBondContact NZ-O 3.25Å; K59-L244 HydrophobicContact CD-CD2 3.56Å; K59-L244 HydrophobicContact CG-CD2 4.04Å
60	V	61.9	Low	55.9	Low	1 Å²	1	90.8 Å²	90.8	1%	0.006	45%	0.453	C	S	.	.	H	α-helix	trans	-81	-43	-179.1	171.1	0	0	0	0	112.7	I56 R58 I73 I74 A93 L242	I56-V60 HydrophobicContact CG1-CG2 3.78Å; I56-V60 WeakPolarHBondContact O-CB 3.33Å; I56-V60 WeakPolarHBondContact O-CG2 3.47Å; I56-V60 PolarHBondContact O-N 3.23Å; R58-V60 PolarHBondContact O-N 3.31Å; R58-V60 VanDerWaalsContact O-N 3.11Å; V60-I73 PolarHBondContact O-N 2.76Å; V60-I74 HydrophobicContact CG1-CD1 3.21Å; V60-I74 HydrophobicContact CG1-CG1 3.73Å; V60-A93 HydrophobicContact CB-CB 4.39Å; V60-A93 HydrophobicContact CG1-CB 4.23Å; V60-A93 WeakPolarHBondContact CG1-O 3.46Å; V60-L242 HydrophobicContact CG2-CD1 3.67Å
61	L	58.5	Low	54.1	Low	3 Å²	3	92.7 Å²	92.7	2%	0.016	47%	0.467	C	S	.	.	H	α-helix	trans	-97.8	-2.9	-176.3	-51.3	173	0	0	0	113.6	M35 Q57 R58 P72 I96 P97	M35-L61 HydrophobicContact CE-CB 3.91Å; M35-L61 HydrophobicContact CE-CD1 4.43Å; M35-L61 HydrophobicContact SD-CB 3.87Å; M35-L61 HydrophobicContact SD-CD1 3.97Å; Q57-L61 HydrophobicContact CB-CD1 4.12Å; Q57-L61 WeakPolarHBondContact O-CA 3.49Å; Q57-L61 WeakPolarHBondContact O-CB 3.18Å; Q57-L61 WeakPolarHBondContact O-CG 3.05Å; Q57-L61 PolarHBondContact O-N 3.05Å; R58-L61 PolarHBondContact O-N 2.9Å; L61-P72 VanDerWaalsContact O-CB 3.31Å; L61-P72 WeakPolarHBondContact O-CB 3.08Å; L61-P72 WeakPolarHBondContact O-CG 3.15Å; L61-I96 HydrophobicContact CD1-CB 4.29Å; L61-I96 HydrophobicContact CD1-CD1 3.9Å; L61-I96 HydrophobicContact CD1-CG2 4.04Å; L61-I96 HydrophobicContact CD2-CB 4.36Å; L61-I96 HydrophobicContact CD2-CG2 4.11Å; L61-P97 HydrophobicContact CD2-CG 3.49Å; L61-P97 VanDerWaalsContact CD2-CG 3.49Å
62	H	56.8	Low	53.2	Low	82 Å²	82	84.8 Å²	84.8	38%	0.38	43%	0.434	S	S	.	.			trans	-166.1	88.2	-172.2	-165.5	94.2	0	0	0	111.7	M35 R58	M35-H62 HydrophobicContact CE-CB 4.08Å; R58-H62 CarbonylContact O-C 3.55Å; R58-H62 WeakPolarHBondContact O-CA 3.44Å; R58-H62 WeakPolarHBondContact O-CB 3.18Å; R58-H62 PolarHBondContact O-N 3.04Å
63	L	44.8	Very low	52.7	Low	80 Å²	80	79.7 Å²	79.7	42%	0.419	41%	0.408	S	S	.	.			trans	-94.9	114	168.8	-155.8	81.4	0	0	0	109.9	I73	L63-I73 HydrophobicContact CB-CD1 4.2Å; L63-I73 HydrophobicContact CB-CG1 4.25Å; L63-I73 HydrophobicContact CD1-CD1 4.28Å; L63-I73 HydrophobicContact CD2-CD1 4.23Å; L63-I73 HydrophobicContact CG-CD1 4.46Å
64	R	33.2	Very low	52.6	Low	219 Å²	219	79.8 Å²	79.8	83%	0.826	41%	0.409	S	S	*	.			trans	-105.9	86.4	176.8	177.8	-172.5	159.3	133.4	-2.4	109.5
65	I	35.2	Very low	52.6	Low	126 Å²	126	80.9 Å²	80.9	65%	0.646	41%	0.413	S	S	*	.			trans	-139.7	118.5	163.5	-74.2	-178.8	0	0	0	107.4
66	I	30.3	Very low	52.7	Low	151 Å²	151	79.6 Å²	79.6	77%	0.774	41%	0.406	S	S	*	.	S	Bend	trans	57.5	116.4	160.3	-55.7	164.6	0	0	0	117.8
67	S	25.1	Very low	53.2	Low	102 Å²	102	81.3 Å²	81.3	71%	0.713	42%	0.424	S	S	*	.	S	Bend	trans	60	106.3	159.1	-58.7	0	0	0	0	119.7
68	L	25.3	Very low	53.5	Low	167 Å²	167	87.2 Å²	87.2	87%	0.874	45%	0.446	S	S	*	.	S	Bend	trans	59.3	106.6	150.4	-56.1	170.2	0	0	0	117.7
69	Q	27.2	Very low	54.2	Low	186 Å²	186	82.1 Å²	82.1	87%	0.869	43%	0.428	S	S	*	.			trans	69.6	37.8	163.7	-49.9	-174.2	2.5	0	0	118	I71	Q69-I71 PolarHBondContact O-N 3.32Å; Q69-I71 VanDerWaalsContact O-N 3.13Å
70	A	27.2	Very low	55.1	Low	80 Å²	80	77.7 Å²	77.7	66%	0.661	41%	0.409	S	S	*	.			trans	-62.1	111.3	177.8	0	0	0	0	0	114.6
71	I	41.1	Very low	56.4	Low	117 Å²	117	78 Å²	78	60%	0.6	41%	0.411	S	S	*	.			trans	-78.9	141.8	169.8	-64.8	174	0	0	0	109.6	Q69 L75	Q69-I71 PolarHBondContact O-N 3.32Å; Q69-I71 VanDerWaalsContact O-N 3.13Å; I71-L75 HydrophobicContact CG2-CB 3.85Å
72	P	58.5	Low	57.7	Low	21 Å²	21	78 Å²	78	14%	0.136	41%	0.41	C	S	.	.			trans	-55.1	143.5	177.4	-31.5	41	0	0	0	114.3	L61 I74 L75 S76	L61-P72 VanDerWaalsContact O-CB 3.31Å; L61-P72 WeakPolarHBondContact O-CB 3.08Å; L61-P72 WeakPolarHBondContact O-CG 3.15Å; P72-I74 VanDerWaalsContact C-N 3.34Å; P72-I74 PolarHBondContact O-N 2.96Å; P72-L75 HydrophobicContact CB-CB 4.04Å; P72-L75 HydrophobicContact CB-CD1 4.04Å; P72-L75 HydrophobicContact CB-CG 4.02Å; P72-L75 HydrophobicContact CG-CB 4.47Å; P72-L75 HydrophobicContact CG-CD1 3.82Å; P72-L75 HydrophobicContact CG-CG 4.35Å; P72-L75 CarbonylContact O-C 3.58Å; P72-L75 WeakPolarHBondContact O-CA 3.13Å; P72-L75 PolarHBondContact O-N 3.22Å; P72-S76 PolarHBondContact O-N 3.42Å
73	I	68.4	Low	58.9	Low	8 Å²	8	75.6 Å²	75.6	4%	0.041	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.3	-169.5	-60.7	177	0	0	0	112.1	V60 L63 S76 V80 I240 L242	V60-I73 PolarHBondContact O-N 2.76Å; L63-I73 HydrophobicContact CB-CD1 4.2Å; L63-I73 HydrophobicContact CB-CG1 4.25Å; L63-I73 HydrophobicContact CD1-CD1 4.28Å; L63-I73 HydrophobicContact CD2-CD1 4.23Å; L63-I73 HydrophobicContact CG-CD1 4.46Å; I73-S76 WeakPolarHBondContact O-CB 3Å; I73-S76 PolarHBondContact O-N 3.37Å; I73-S76 PolarHBondContact O-OG 2.95Å; I73-V80 HydrophobicContact CG2-CG2 3.77Å; I73-I240 HydrophobicContact CG2-CD1 3.63Å; I73-L242 HydrophobicContact CD1-CD1 4.21Å; I73-L242 HydrophobicContact CD1-CD2 3.92Å
74	I	73.4	Confident	60.3	Low	3 Å²	3	72 Å²	72	2%	0.015	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-34.1	177.8	-62.6	-178.5	0	0	0	111.6	V60 P72 S76 G77 V80 P97 Y186 Q216 L218 F220	V60-I74 HydrophobicContact CG1-CD1 3.21Å; V60-I74 HydrophobicContact CG1-CG1 3.73Å; P72-I74 VanDerWaalsContact C-N 3.34Å; P72-I74 PolarHBondContact O-N 2.96Å; I74-S76 PolarHBondContact O-N 3.32Å; I74-G77 PolarHBondContact O-N 3.07Å; I74-G77 VanDerWaalsContact O-N 3.07Å; I74-V80 HydrophobicContact CG1-CG2 3.95Å; I74-P97 HydrophobicContact CB-CB 3.98Å; I74-P97 HydrophobicContact CB-CG 3.88Å; I74-P97 HydrophobicContact CD1-CG 4.35Å; I74-P97 HydrophobicContact CG2-CB 3.36Å; I74-P97 HydrophobicContact CG2-CG 3.71Å; I74-Y186 HydrophobicContact CG2-CE2 3.86Å; I74-Q216 PolarHBondContact O-NE2 3.13Å; I74-L218 HydrophobicContact CD1-CD1 3.75Å; I74-L218 HydrophobicContact CD1-CD2 3.98Å; I74-L218 HydrophobicContact CG1-CD1 4.43Å; I74-L218 HydrophobicContact CG1-CD2 3.98Å; I74-L218 HydrophobicContact CG2-CD1 4.01Å; I74-L218 HydrophobicContact CG2-CD2 4.37Å; I74-F220 HydrophobicContact CD1-CZ 4.31Å
75	L	74.8	Confident	62.1	Low	64 Å²	64	66.5 Å²	66.5	34%	0.335	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.3	174.1	-63	-176.7	0	0	0	112.6	I71 P72 G77 P97 E100	I71-L75 HydrophobicContact CG2-CB 3.85Å; P72-L75 HydrophobicContact CB-CB 4.04Å; P72-L75 HydrophobicContact CB-CD1 4.04Å; P72-L75 HydrophobicContact CB-CG 4.02Å; P72-L75 HydrophobicContact CG-CB 4.47Å; P72-L75 HydrophobicContact CG-CD1 3.82Å; P72-L75 HydrophobicContact CG-CG 4.35Å; P72-L75 CarbonylContact O-C 3.58Å; P72-L75 WeakPolarHBondContact O-CA 3.13Å; P72-L75 PolarHBondContact O-N 3.22Å; L75-G77 PolarHBondContact O-N 2.93Å; L75-P97 HydrophobicContact CD2-CB 3.86Å; L75-E100 HydrophobicContact CD2-CB 3.86Å
76	S	75.7	Confident	63.5	Low	50 Å²	50	63 Å²	63	35%	0.35	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-0.5	170.3	79.6	0	0	0	0	114.2	P72 I73 I74 R78	P72-S76 PolarHBondContact O-N 3.42Å; I73-S76 WeakPolarHBondContact O-CB 3Å; I73-S76 PolarHBondContact O-N 3.37Å; I73-S76 PolarHBondContact O-OG 2.95Å; I74-S76 PolarHBondContact O-N 3.32Å; S76-R78 PolarHBondContact O-N 3.15Å; S76-R78 PolarHBondContact OG-NE 3.04Å
77	G	80.7	Confident	65.2	Low	39 Å²	39	59.2 Å²	59.2	40%	0.402	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-5.6	177.1	0	0	0	0	0	115.7	I74 L75 Q216	I74-G77 PolarHBondContact O-N 3.07Å; I74-G77 VanDerWaalsContact O-N 3.07Å; L75-G77 PolarHBondContact O-N 2.93Å; G77-Q216 VanDerWaalsContact C-NE2 3.27Å; G77-Q216 WeakPolarHBondContact O-CG 3.07Å
78	R	83.3	Confident	67.3	Low	125 Å²	125	55.4 Å²	55.4	47%	0.472	32%	0.317	S	S	.	.			trans	-70.8	151.7	-179.8	-69.4	-168.7	-76.4	-176.3	-2.1	113.6	S76 Q216 I240	S76-R78 PolarHBondContact O-N 3.15Å; S76-R78 PolarHBondContact OG-NE 3.04Å; R78-Q216 PolarHBondContact O-NE2 3.37Å; R78-I240 HydrophobicContact CB-CD1 4.39Å; R78-I240 VanDerWaalsContact CZ-CD1 3.48Å
79	D	89.4	Confident	69.7	Low	8 Å²	8	48.3 Å²	48.3	4%	0.043	28%	0.284	C	S	.	.			trans	-71	148	173.4	-76.2	0.7	0	0	0	110.9	Q216 T217 L236 V237 P239 I240	D79-Q216 WeakPolarHBondContact OD1-CA 3.37Å; D79-T217 WeakPolarHBondContact CA-O 3.42Å; D79-T217 WeakPolarHBondContact CB-O 3.3Å; D79-T217 PolarHBondContact OD1-N 3.43Å; D79-L236 HydrophobicContact CB-CB 4.2Å; D79-L236 HydrophobicContact CB-CD2 4.45Å; D79-L236 WeakPolarHBondContact OD2-CA 3.45Å; D79-L236 VanDerWaalsContact OD2-CB 3.31Å; D79-L236 WeakPolarHBondContact OD2-CB 3.49Å; D79-V237 PolarHBondContact OD2-N 2.71Å; D79-P239 HydrophobicContact CB-CB 4.06Å; D79-P239 WeakPolarHBondContact O-CA 3.24Å; D79-I240 PolarHBondContact O-N 3.37Å
80	V	87.1	Confident	72.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	130.3	-176	-176	0	0	0	0	111.3	I73 I74 T217 L218 I219 I240 L242	I73-V80 HydrophobicContact CG2-CG2 3.77Å; I74-V80 HydrophobicContact CG1-CG2 3.95Å; V80-T217 PolarHBondContact N-O 3.16Å; V80-L218 HydrophobicContact CB-CD2 3.7Å; V80-L218 HydrophobicContact CG2-CD2 3.84Å; V80-L218 CarbonylContact O-C 3.5Å; V80-L218 WeakPolarHBondContact O-CA 3.39Å; V80-I219 PolarHBondContact O-N 2.84Å; V80-I240 WeakPolarHBondContact CA-O 3.38Å; V80-L242 HydrophobicContact CG1-CB 4.41Å; V80-L242 HydrophobicContact CG1-CD1 3.7Å; V80-L242 HydrophobicContact CG1-CG 3.93Å
81	V	87.9	Confident	75.3	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.4	165.9	-179.8	0	0	0	0	108	I219 L224 A232 L236 P239 I240 L241 L242	V81-I219 CarbonylContact C-O 3.6Å; V81-I219 WeakPolarHBondContact CA-O 3.43Å; V81-I219 HydrophobicContact CG2-CB 4.31Å; V81-I219 HydrophobicContact CG2-CD1 4.49Å; V81-L224 HydrophobicContact CG1-CD1 4.31Å; V81-L224 HydrophobicContact CG1-CD2 3.8Å; V81-A232 HydrophobicContact CG2-CB 4.15Å; V81-L236 HydrophobicContact CG2-CD1 3.43Å; V81-L236 VanDerWaalsContact CG2-CD1 3.43Å; V81-P239 HydrophobicContact CG2-CB 4.15Å; V81-I240 PolarHBondContact N-O 2.92Å; V81-L241 HydrophobicContact CB-CD1 4Å; V81-L241 HydrophobicContact CG1-CD1 3.82Å; V81-L241 CarbonylContact O-C 3.46Å; V81-L241 WeakPolarHBondContact O-CA 3.42Å; V81-L242 PolarHBondContact O-N 3.06Å
82	S	86	Confident	77.4	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.3	-179.6	-169.5	0	0	0	0	111.9	I56 I219 S221 L242	I56-S82 VanDerWaalsContact CD1-OG 3.3Å; I56-S82 WeakPolarHBondContact CD1-OG 3.27Å; S82-I219 PolarHBondContact N-O 2.7Å; S82-S221 PolarHBondContact O-N 3.36Å; S82-L242 WeakPolarHBondContact CA-O 3.4Å
83	M	82.9	Confident	78.8	Confident	32 Å²	32	31.2 Å²	31.2	16%	0.158	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	170.9	-75.9	-166.8	-83.1	0	0	110.6	S221 L224 L241 L242 R243 L244	M83-S221 CarbonylContact C-O 3.55Å; M83-S221 WeakPolarHBondContact CA-O 3.33Å; M83-L224 HydrophobicContact CE-CD1 3.73Å; M83-L224 HydrophobicContact CE-CG 4.48Å; M83-L224 HydrophobicContact CG-CD1 3.76Å; M83-L224 HydrophobicContact CG-CD2 4.27Å; M83-L224 HydrophobicContact CG-CG 3.7Å; M83-L224 HydrophobicContact SD-CB 4.39Å; M83-L224 HydrophobicContact SD-CD1 3.51Å; M83-L224 VanDerWaalsContact SD-CD1 3.51Å; M83-L224 HydrophobicContact SD-CG 3.59Å; M83-L224 VanDerWaalsContact SD-CG 3.59Å; M83-L241 HydrophobicContact CE-CD1 4.09Å; M83-L241 HydrophobicContact CE-CG 4.45Å; M83-L242 PolarHBondContact N-O 3.44Å; M83-R243 HydrophobicContact CE-CB 3.88Å; M83-R243 HydrophobicContact CE-CG 3.61Å; M83-L244 PolarHBondContact O-N 3.43Å
84	A	73.8	Confident	79.8	Confident	5 Å²	5	30.9 Å²	30.9	4%	0.041	19%	0.187	C	C	.	.			trans	-156.9	141.3	177.6	0	0	0	0	0	113.7	I56 S88 K90 S221 L244	I56-A84 HydrophobicContact CD1-CB 3.61Å; A84-S88 WeakPolarHBondContact CB-OG 3.37Å; A84-K90 HydrophobicContact CB-CD 4.25Å; A84-K90 HydrophobicContact CB-CG 4.28Å; A84-S221 PolarHBondContact N-O 3.2Å; A84-L244 HydrophobicContact CB-CD1 3.91Å
85	R	70.5	Confident	80.6	Confident	103 Å²	103	30.7 Å²	30.7	39%	0.389	19%	0.186	S	C	.	.			trans	-60.3	154.1	172.7	58.4	171.4	150.7	-172.9	-16.4	112.6	S88 L246	R85-S88 VanDerWaalsContact O-CB 3.27Å; R85-S88 WeakPolarHBondContact O-CB 3.41Å; R85-S88 PolarHBondContact O-N 2.7Å; R85-S88 PolarHBondContact O-OG 3.38Å; R85-L246 HydrophobicContact CG-CD1 4.06Å; R85-L246 VanDerWaalsContact NE-CD1 3.26Å
86	T	66	Low	81.2	Confident	53 Å²	53	27.7 Å²	27.7	33%	0.325	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	145	169.1	54.7	0	0	0	0	110.4	S88 E191 R374	T86-S88 VanDerWaalsContact C-N 3.31Å; T86-S88 PolarHBondContact O-N 2.88Å; T86-E191 VanDerWaalsContact CG2-OE1 3.25Å; T86-E191 WeakPolarHBondContact CG2-OE1 3.26Å; T86-R374 PolarHBondContact OG1-NH2 2.98Å
87	G	65.7	Low	81.8	Confident	72 Å²	72	25.4 Å²	25.4	74%	0.742	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	-4.5	-173.8	0	0	0	0	0	115.7	G89	G87-G89 PolarHBondContact O-N 3.08Å
88	S	69	Low	82.2	Confident	22 Å²	22	23.5 Å²	23.5	15%	0.154	14%	0.135	C	C	.	.	S	Bend	trans	-69.4	-10.2	176.7	56.5	0	0	0	0	115.2	T54 I56 A84 R85 T86 K90	T54-S88 WeakPolarHBondContact CB-O 3.48Å; T54-S88 PolarHBondContact OG1-O 3.15Å; I56-S88 WeakPolarHBondContact CG2-O 3.29Å; A84-S88 WeakPolarHBondContact CB-OG 3.37Å; R85-S88 VanDerWaalsContact O-CB 3.27Å; R85-S88 WeakPolarHBondContact O-CB 3.41Å; R85-S88 PolarHBondContact O-N 2.7Å; R85-S88 PolarHBondContact O-OG 3.38Å; T86-S88 VanDerWaalsContact C-N 3.31Å; T86-S88 PolarHBondContact O-N 2.88Å; S88-K90 VanDerWaalsContact OG-CG 3.26Å; S88-K90 WeakPolarHBondContact OG-CG 3.48Å
89	G	75.7	Confident	82.5	Confident	17 Å²	17	17.8 Å²	17.8	18%	0.175	11%	0.113	C	C	.	.	S	Bend	trans	97.9	15.3	-175.4	0	0	0	0	0	115.2	Q57 G87 T91 A92 A93	Q57-G89 PolarHBondContact NE2-O 3.32Å; G87-G89 PolarHBondContact O-N 3.08Å; G89-T91 VanDerWaalsContact C-N 3.29Å; G89-T91 PolarHBondContact O-N 3.3Å; G89-A92 PolarHBondContact O-N 3.17Å; G89-A93 PolarHBondContact O-N 2.89Å
90	K	83.1	Confident	82.3	Confident	10 Å²	10	19.7 Å²	19.7	4%	0.043	12%	0.122	C	C	.	.	H	α-helix	trans	-45.1	-47	-179.9	-52.1	-168.2	-67.1	152.3	0	113.7	I56 A84 S88 A92 A93 F94 D190 F220	I56-K90 HydrophobicContact CD1-CG 4.11Å; A84-K90 HydrophobicContact CB-CD 4.25Å; A84-K90 HydrophobicContact CB-CG 4.28Å; S88-K90 VanDerWaalsContact OG-CG 3.26Å; S88-K90 WeakPolarHBondContact OG-CG 3.48Å; K90-A92 PolarHBondContact O-N 3.33Å; K90-A93 WeakPolarHBondContact O-CA 3.46Å; K90-A93 VanDerWaalsContact O-CB 3.3Å; K90-A93 WeakPolarHBondContact O-CB 3.31Å; K90-A93 PolarHBondContact O-N 3.06Å; K90-F94 WeakPolarHBondContact O-CD1 3.47Å; K90-F94 PolarHBondContact O-N 2.96Å; K90-D190 IonicContact NZ-OD1 2.73Å; K90-D190 PolarHBondContact NZ-OD1 3.04Å; K90-F220 HydrophobicContact CB-CD1 4.15Å; K90-F220 HydrophobicContact CD-CB 4.27Å; K90-F220 HydrophobicContact CD-CD1 4.46Å; K90-F220 HydrophobicContact CG-CD1 4.46Å
91	T	87.4	Confident	82.2	Confident	36 Å²	36	23.2 Å²	23.2	22%	0.221	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-46.6	-173.8	-40.4	0	0	0	0	112.5	G89 A93 F94 L95 T125 F128	G89-T91 VanDerWaalsContact C-N 3.29Å; G89-T91 PolarHBondContact O-N 3.3Å; T91-A93 VanDerWaalsContact C-N 3.34Å; T91-F94 HydrophobicContact CG2-CE2 4.37Å; T91-F94 HydrophobicContact CG2-CZ 3.96Å; T91-L95 HydrophobicContact CG2-CD1 3.88Å; T91-L95 WeakPolarHBondContact O-CB 3.33Å; T91-L95 VanDerWaalsContact O-CG 3.26Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 3.32Å; T91-L95 VanDerWaalsContact O-N 3.07Å; T91-T125 HydrophobicContact CG2-CG2 4.09Å; T91-F128 HydrophobicContact CG2-CB 4.44Å; T91-F128 HydrophobicContact CG2-CD1 3.65Å; T91-F128 HydrophobicContact CG2-CE1 4.03Å; T91-F128 HydrophobicContact CG2-CG 4.13Å
92	A	86.8	Confident	82.2	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70	-29.2	173	0	0	0	0	0	112.9	Y50 G89 K90 F94 L95 I96 F128 L132	Y50-A92 HydrophobicContact CE2-CB 4.2Å; G89-A92 PolarHBondContact O-N 3.17Å; K90-A92 PolarHBondContact O-N 3.33Å; A92-F94 VanDerWaalsContact C-N 3.26Å; A92-F94 PolarHBondContact O-N 2.84Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-I96 HydrophobicContact CB-CD1 4.09Å; A92-I96 WeakPolarHBondContact O-CB 3.4Å; A92-I96 WeakPolarHBondContact O-CD1 3.42Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 2.84Å; A92-F128 HydrophobicContact CB-CE1 3.89Å; A92-F128 HydrophobicContact CB-CZ 3.9Å; A92-L132 HydrophobicContact CB-CD2 4.46Å
93	A	86.2	Confident	82	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-27.3	178.8	0	0	0	0	0	113.4	I56 Q57 V60 G89 K90 T91 P97 F220	I56-A93 HydrophobicContact CG1-CB 4.22Å; I56-A93 HydrophobicContact CG2-CB 4.39Å; Q57-A93 HydrophobicContact CG-CB 3.99Å; V60-A93 HydrophobicContact CB-CB 4.39Å; V60-A93 HydrophobicContact CG1-CB 4.23Å; V60-A93 WeakPolarHBondContact CG1-O 3.46Å; G89-A93 PolarHBondContact O-N 2.89Å; K90-A93 WeakPolarHBondContact O-CA 3.46Å; K90-A93 VanDerWaalsContact O-CB 3.3Å; K90-A93 WeakPolarHBondContact O-CB 3.31Å; K90-A93 PolarHBondContact O-N 3.06Å; T91-A93 VanDerWaalsContact C-N 3.34Å; A93-P97 VanDerWaalsContact O-CD 3.24Å; A93-P97 WeakPolarHBondContact O-CD 3.47Å; A93-P97 WeakPolarHBondContact O-CG 3.36Å; A93-F220 HydrophobicContact CB-CE1 4.47Å
94	F	89.6	Confident	82.1	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-102	-20.9	172.8	64	-111.2	0	0	0	115.1	K90 T91 A92 L98 I114 T125 Y186 V188 D190 L218 F220	K90-F94 WeakPolarHBondContact O-CD1 3.47Å; K90-F94 PolarHBondContact O-N 2.96Å; T91-F94 HydrophobicContact CG2-CE2 4.37Å; T91-F94 HydrophobicContact CG2-CZ 3.96Å; A92-F94 VanDerWaalsContact C-N 3.26Å; A92-F94 PolarHBondContact O-N 2.84Å; F94-L98 WeakPolarHBondContact O-CB 3.43Å; F94-I114 HydrophobicContact CE2-CD1 4.05Å; F94-I114 HydrophobicContact CE2-CG2 4.21Å; F94-I114 HydrophobicContact CZ-CG2 4.43Å; F94-T125 HydrophobicContact CE2-CG2 4.22Å; F94-T125 HydrophobicContact CZ-CG2 4.24Å; F94-Y186 PolarHBondContact O-OH 3.13Å; F94-V188 HydrophobicContact CB-CG1 4.28Å; F94-V188 HydrophobicContact CB-CG2 4.23Å; F94-V188 HydrophobicContact CD1-CG1 3.83Å; F94-V188 HydrophobicContact CD2-CG1 3.97Å; F94-V188 HydrophobicContact CD2-CG2 4.1Å; F94-V188 HydrophobicContact CE1-CG1 4.03Å; F94-V188 HydrophobicContact CE2-CG1 4.19Å; F94-V188 HydrophobicContact CG-CG1 3.79Å; F94-V188 HydrophobicContact CG-CG2 4.28Å; F94-V188 HydrophobicContact CZ-CG1 4.21Å; F94-D190 HydrophobicContact CE1-CB 4.29Å; F94-D190 HydrophobicContact CZ-CB 4.42Å; F94-L218 HydrophobicContact CB-CD1 4.23Å; F94-F220 HydrophobicContact CB-CD2 4.41Å; F94-F220 HydrophobicContact CB-CE2 3.56Å; F94-F220 HydrophobicContact CB-CZ 3.87Å; F94-F220 AromaticContact CD1-CD2 3.7Å; F94-F220 HydrophobicContact CD1-CD2 3.7Å; F94-F220 AromaticContact CD1-CE2 3.67Å; F94-F220 HydrophobicContact CD1-CE2 3.67Å; F94-F220 HydrophobicContact CD1-CG 4.2Å; F94-F220 HydrophobicContact CD1-CZ 4.13Å; F94-F220 HydrophobicContact CE1-CD2 4.41Å; F94-F220 HydrophobicContact CG-CD2 4.44Å; F94-F220 HydrophobicContact CG-CE2 4.05Å
95	L	91	Very high	82.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-81.3	-34.9	176.1	-71.1	173.3	0	0	0	113.3	T91 A92 L98 F99 I114 F128 T129 L132	T91-L95 HydrophobicContact CG2-CD1 3.88Å; T91-L95 WeakPolarHBondContact O-CB 3.33Å; T91-L95 VanDerWaalsContact O-CG 3.26Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 3.32Å; T91-L95 VanDerWaalsContact O-N 3.07Å; A92-L95 PolarHBondContact O-N 3.38Å; L95-L98 HydrophobicContact CD2-CD1 4.19Å; L95-L98 WeakPolarHBondContact O-CB 3.48Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-F99 HydrophobicContact CB-CE2 4.23Å; L95-F99 VanDerWaalsContact O-CD2 3.3Å; L95-F99 WeakPolarHBondContact O-CD2 3.5Å; L95-F99 WeakPolarHBondContact O-CG 3.41Å; L95-F99 PolarHBondContact O-N 3.46Å; L95-I114 HydrophobicContact CD2-CD1 3.72Å; L95-F128 HydrophobicContact CD1-CD1 3.55Å; L95-F128 HydrophobicContact CD1-CE1 4.05Å; L95-T129 WeakPolarHBondContact CD1-OG1 3.28Å; L95-T129 HydrophobicContact CD2-CG2 4.24Å; L95-L132 HydrophobicContact CB-CD2 4.05Å
96	I	87.9	Confident	83.4	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-50.2	177.1	-69.6	167.6	0	0	0	110.5	F32 L37 T41 I45 L61 A92 L98 F99 E100 L132	F32-I96 HydrophobicContact CE1-CD1 3.94Å; L37-I96 HydrophobicContact CD1-CG2 3.84Å; L37-I96 HydrophobicContact CD2-CG2 3.63Å; L37-I96 HydrophobicContact CG-CG2 4.41Å; T41-I96 HydrophobicContact CG2-CB 4.49Å; T41-I96 HydrophobicContact CG2-CG1 4.34Å; T41-I96 HydrophobicContact CG2-CG2 4.06Å; I45-I96 HydrophobicContact CD1-CD1 3.69Å; I45-I96 HydrophobicContact CD1-CG1 4.04Å; I45-I96 HydrophobicContact CG1-CD1 4.12Å; I45-I96 HydrophobicContact CG1-CG1 4.4Å; L61-I96 HydrophobicContact CD1-CB 4.29Å; L61-I96 HydrophobicContact CD1-CD1 3.9Å; L61-I96 HydrophobicContact CD1-CG2 4.04Å; L61-I96 HydrophobicContact CD2-CB 4.36Å; L61-I96 HydrophobicContact CD2-CG2 4.11Å; A92-I96 HydrophobicContact CB-CD1 4.09Å; A92-I96 WeakPolarHBondContact O-CB 3.4Å; A92-I96 WeakPolarHBondContact O-CD1 3.42Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 2.84Å; I96-L98 VanDerWaalsContact C-N 3.3Å; I96-L98 PolarHBondContact O-N 3.41Å; I96-F99 PolarHBondContact O-N 3.21Å; I96-E100 WeakPolarHBondContact O-CG 3.12Å; I96-E100 PolarHBondContact O-N 3Å; I96-E100 VanDerWaalsContact O-N 3.16Å; I96-L132 HydrophobicContact CG1-CD2 4.17Å
97	P	87	Confident	84.1	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-29.6	176.4	-22.4	35.5	0	0	0	114.2	L61 I74 L75 A93 E100 K101	L61-P97 HydrophobicContact CD2-CG 3.49Å; L61-P97 VanDerWaalsContact CD2-CG 3.49Å; I74-P97 HydrophobicContact CB-CB 3.98Å; I74-P97 HydrophobicContact CB-CG 3.88Å; I74-P97 HydrophobicContact CD1-CG 4.35Å; I74-P97 HydrophobicContact CG2-CB 3.36Å; I74-P97 HydrophobicContact CG2-CG 3.71Å; L75-P97 HydrophobicContact CD2-CB 3.86Å; A93-P97 VanDerWaalsContact O-CD 3.24Å; A93-P97 WeakPolarHBondContact O-CD 3.47Å; A93-P97 WeakPolarHBondContact O-CG 3.36Å; P97-E100 PolarHBondContact O-N 3.17Å; P97-K101 VanDerWaalsContact O-CB 3.28Å; P97-K101 WeakPolarHBondContact O-CB 3.23Å; P97-K101 PolarHBondContact O-N 3.34Å
98	L	89.9	Confident	84.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-45.2	176	-175.8	163.6	0	0	0	110.6	F94 L95 I96 K101 F102 A112 I114 L138 I162 Y186	F94-L98 WeakPolarHBondContact O-CB 3.43Å; L95-L98 HydrophobicContact CD2-CD1 4.19Å; L95-L98 WeakPolarHBondContact O-CB 3.48Å; L95-L98 PolarHBondContact O-N 3.14Å; I96-L98 VanDerWaalsContact C-N 3.3Å; I96-L98 PolarHBondContact O-N 3.41Å; L98-K101 PolarHBondContact O-N 2.91Å; L98-F102 HydrophobicContact CD2-CD2 4.1Å; L98-F102 HydrophobicContact CG-CD2 4.14Å; L98-F102 HydrophobicContact CG-CE2 4.36Å; L98-F102 VanDerWaalsContact O-CD2 3.29Å; L98-F102 WeakPolarHBondContact O-CD2 3.37Å; L98-F102 PolarHBondContact O-N 3.14Å; L98-F102 VanDerWaalsContact O-N 3.13Å; L98-A112 HydrophobicContact CD1-CB 3.61Å; L98-A112 HydrophobicContact CD2-CB 4.48Å; L98-A112 HydrophobicContact CG-CB 4.05Å; L98-I114 HydrophobicContact CD1-CD1 4.19Å; L98-L138 HydrophobicContact CD2-CD1 4.45Å; L98-I162 HydrophobicContact CD1-CG2 4.47Å; L98-I162 HydrophobicContact CD2-CD1 3.5Å; L98-I162 HydrophobicContact CD2-CG1 3.98Å; L98-Y186 HydrophobicContact CB-CD1 4.24Å; L98-Y186 HydrophobicContact CB-CE1 3.77Å; L98-Y186 HydrophobicContact CD1-CD1 3.88Å; L98-Y186 HydrophobicContact CD1-CE1 3.9Å; L98-Y186 HydrophobicContact CG-CD1 4.11Å; L98-Y186 HydrophobicContact CG-CE1 4.12Å
99	F	89	Confident	85.5	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-38.7	178.1	-63.1	-37.1	0	0	0	112.5	T41 L95 I96 F102 T129 L132 T136 L138 I162	T41-F99 HydrophobicContact CG2-CB 4.44Å; T41-F99 WeakPolarHBondContact OG1-CB 3.5Å; L95-F99 HydrophobicContact CB-CE2 4.23Å; L95-F99 VanDerWaalsContact O-CD2 3.3Å; L95-F99 WeakPolarHBondContact O-CD2 3.5Å; L95-F99 WeakPolarHBondContact O-CG 3.41Å; L95-F99 PolarHBondContact O-N 3.46Å; I96-F99 PolarHBondContact O-N 3.21Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.81Å; F99-T129 HydrophobicContact CE1-CG2 4.17Å; F99-T129 HydrophobicContact CZ-CG2 3.88Å; F99-L132 HydrophobicContact CD2-CD2 4.36Å; F99-L132 HydrophobicContact CD2-CG 4.31Å; F99-L132 HydrophobicContact CE2-CB 3.97Å; F99-L132 HydrophobicContact CE2-CD2 3.85Å; F99-L132 HydrophobicContact CE2-CG 3.75Å; F99-T136 HydrophobicContact CB-CG2 4.39Å; F99-T136 HydrophobicContact CD1-CG2 4.4Å; F99-T136 HydrophobicContact CG-CG2 4.34Å; F99-L138 HydrophobicContact CD1-CD1 3.56Å; F99-L138 HydrophobicContact CE1-CD1 4.07Å; F99-I162 HydrophobicContact CE1-CD1 4.04Å
100	E	86.1	Confident	86.3	Confident	49 Å²	49	30.8 Å²	30.8	23%	0.229	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-36	173.6	-62.8	-55.8	116.4	0	0	112.7	L37 S38 T41 L75 I96 P97 F102	L37-E100 HydrophobicContact CD2-CG 3.85Å; S38-E100 WeakPolarHBondContact CB-OE1 3.41Å; S38-E100 WeakPolarHBondContact CB-OE2 3.3Å; S38-E100 VanDerWaalsContact N-CD 3.31Å; S38-E100 PolarHBondContact N-OE1 3.22Å; S38-E100 VanDerWaalsContact N-OE1 3.16Å; S38-E100 PolarHBondContact N-OE2 3.11Å; S38-E100 PolarHBondContact OG-OE1 2.83Å; T41-E100 WeakPolarHBondContact CB-OE1 3.3Å; T41-E100 PolarHBondContact OG1-OE1 3.48Å; L75-E100 HydrophobicContact CD2-CB 3.86Å; I96-E100 WeakPolarHBondContact O-CG 3.12Å; I96-E100 PolarHBondContact O-N 3Å; I96-E100 VanDerWaalsContact O-N 3.16Å; P97-E100 PolarHBondContact O-N 3.17Å; E100-F102 VanDerWaalsContact C-N 3.33Å
101	K	85.7	Confident	86.8	Confident	73 Å²	73	31.9 Å²	31.9	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-69.8	-28.3	177	-170.7	174.1	-178	174.4	0	112.8	P97 L98 P103 E185 Y186	P97-K101 VanDerWaalsContact O-CB 3.28Å; P97-K101 WeakPolarHBondContact O-CB 3.23Å; P97-K101 PolarHBondContact O-N 3.34Å; L98-K101 PolarHBondContact O-N 2.91Å; K101-P103 WeakPolarHBondContact O-CD 3.44Å; K101-E185 WeakPolarHBondContact CE-OE2 3.3Å; K101-E185 PolarHBondContact NZ-O 3.36Å; K101-E185 VanDerWaalsContact NZ-O 3.1Å; K101-E185 IonicContact NZ-OE2 3.61Å; K101-Y186 HydrophobicContact CD-CD2 4.2Å
102	F	87.5	Confident	87.1	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.022	19%	0.185	C	C	.	.			trans	-126.2	75.8	-174.1	-56.2	-54.4	0	0	0	112.3	L98 F99 E100 C104 R111 A112 L138 E185	L98-F102 HydrophobicContact CD2-CD2 4.1Å; L98-F102 HydrophobicContact CG-CD2 4.14Å; L98-F102 HydrophobicContact CG-CE2 4.36Å; L98-F102 VanDerWaalsContact O-CD2 3.29Å; L98-F102 WeakPolarHBondContact O-CD2 3.37Å; L98-F102 PolarHBondContact O-N 3.14Å; L98-F102 VanDerWaalsContact O-N 3.13Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.81Å; E100-F102 VanDerWaalsContact C-N 3.33Å; F102-C104 PolarHBondContact O-N 2.74Å; F102-R111 HydrophobicContact CD1-CB 4.29Å; F102-R111 HydrophobicContact CE1-CB 3.84Å; F102-R111 HydrophobicContact CE1-CG 4.46Å; F102-R111 HydrophobicContact CE2-CB 4.25Å; F102-R111 HydrophobicContact CZ-CB 3.81Å; F102-A112 HydrophobicContact CE2-CB 4.08Å; F102-L138 HydrophobicContact CB-CD1 4.32Å; F102-L138 HydrophobicContact CB-CD2 4.02Å; F102-L138 WeakPolarHBondContact O-CD1 3.19Å; F102-L138 WeakPolarHBondContact O-CD2 3.49Å; F102-E185 HydrophobicContact CZ-CB 4.19Å
103	P	81	Confident	87.5	Confident	92 Å²	92	30.2 Å²	30.2	60%	0.597	19%	0.185	S	C	*	.			trans	-68.7	-33.2	-175.1	26.1	-35	0	0	0	114.1	K101 P137	K101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-P137 WeakPolarHBondContact O-CD 3.3Å; P103-P137 WeakPolarHBondContact O-CG 3.36Å
104	C	85	Confident	88	Confident	86 Å²	86	30.2 Å²	30.2	58%	0.581	19%	0.185	S	C	*	.	S	Bend	trans	-119.1	148.6	-176.4	-59.3	0	0	0	0	111.2	F102 R111	F102-C104 PolarHBondContact O-N 2.74Å; C104-R111 PolarHBondContact O-NH1 3.32Å; C104-R111 PolarHBondContact O-NH2 2.94Å
105	H	85.9	Confident	88.3	Confident	57 Å²	57	30.2 Å²	30.2	26%	0.264	19%	0.185	S	C	.	.			trans	-62.2	142	171.5	174.3	48.8	0	0	0	111.5	P137 K139 S159 D161	H105-P137 HydrophobicContact CB-CB 4.48Å; H105-K139 PolarHBondContact NE2-NZ 3Å; H105-S159 PolarHBondContact CE1-O 3.38Å; H105-S159 VanDerWaalsContact CE1-O 3.32Å; H105-D161 IonicContact CE1-OD2 2.7Å; H105-D161 IonicContact CG-OD2 2.64Å; H105-D161 VanDerWaalsContact ND1-CG 3.33Å; H105-D161 IonicContact ND1-OD1 3.56Å; H105-D161 PolarHBondContact ND1-OD1 3.47Å; H105-D161 IonicContact ND1-OD2 3.61Å; H105-D161 PolarHBondContact ND1-OD2 3.36Å
106	S	85.3	Confident	88.4	Confident	32 Å²	32	30.2 Å²	30.2	22%	0.224	19%	0.185	C	C	.	.			trans	-126.1	127.8	172.6	-174.8	0	0	0	0	111.6	A108 D161	S106-A108 PolarHBondContact O-N 3.03Å; S106-A108 PolarHBondContact OG-N 2.9Å; S106-D161 PolarHBondContact N-OD1 3.12Å
107	P	80.5	Confident	88.4	Confident	99 Å²	99	30.3 Å²	30.3	64%	0.643	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.7	177.3	32	-35.8	0	0	0	113.4	G109	P107-G109 PolarHBondContact O-N 2.91Å; P107-G109 VanDerWaalsContact O-N 3.1Å
108	A	81.3	Confident	88.4	Confident	82 Å²	82	31.5 Å²	31.5	68%	0.678	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.8	-176.1	0	0	0	0	0	114.4	S106	S106-A108 PolarHBondContact O-N 3.03Å; S106-A108 PolarHBondContact OG-N 2.9Å
109	G	83.8	Confident	88.3	Confident	11 Å²	11	33.9 Å²	33.9	11%	0.113	20%	0.202	C	C	.	.			trans	127.7	-173	176.8	0	0	0	0	0	112.8	P107 R111	P107-G109 PolarHBondContact O-N 2.91Å; P107-G109 VanDerWaalsContact O-N 3.1Å; G109-R111 PolarHBondContact O-N 3.43Å
110	P	91.8	Very high	88.1	Confident	8 Å²	8	34.8 Å²	34.8	5%	0.052	21%	0.206	C	C	.	.			trans	-67.5	132.1	-177.3	29.3	-36.1	0	0	0	111.4	P160 I163 S183 I184	P110-P160 VanDerWaalsContact CA-O 3.26Å; P110-P160 WeakPolarHBondContact CA-O 3.49Å; P110-I163 HydrophobicContact CB-CD1 3.46Å; P110-I163 VanDerWaalsContact CB-CD1 3.46Å; P110-I163 HydrophobicContact CB-CG1 3.82Å; P110-I163 HydrophobicContact CG-CD1 3.68Å; P110-S183 CarbonylContact O-C 3.51Å; P110-S183 VanDerWaalsContact O-C 3.3Å; P110-S183 WeakPolarHBondContact O-CB 3.32Å; P110-S183 PolarHBondContact O-OG 2.91Å; P110-I184 HydrophobicContact CB-CG1 4.36Å; P110-I184 HydrophobicContact CG-CD1 4.37Å; P110-I184 HydrophobicContact CG-CG1 4.31Å; P110-I184 WeakPolarHBondContact O-CG1 3.49Å; P110-I184 PolarHBondContact O-N 3.48Å
111	R	93.1	Very high	88.1	Confident	33 Å²	33	33 Å²	33	13%	0.125	20%	0.198	C	C	.	.			trans	-105.6	-23.8	177.3	-69	179.4	-67.7	163.2	2.9	113.3	F102 C104 G109 D161 S183 I184 E185 Y186	F102-R111 HydrophobicContact CD1-CB 4.29Å; F102-R111 HydrophobicContact CE1-CB 3.84Å; F102-R111 HydrophobicContact CE1-CG 4.46Å; F102-R111 HydrophobicContact CE2-CB 4.25Å; F102-R111 HydrophobicContact CZ-CB 3.81Å; C104-R111 PolarHBondContact O-NH1 3.32Å; C104-R111 PolarHBondContact O-NH2 2.94Å; G109-R111 PolarHBondContact O-N 3.43Å; R111-D161 IonicContact CZ-OD1 3.04Å; R111-D161 PolarHBondContact N-O 3.42Å; R111-D161 IonicContact NE-OD1 2.89Å; R111-D161 IonicContact NH2-OD1 3.74Å; R111-D161 PolarHBondContact NH2-OD1 3.32Å; R111-S183 WeakPolarHBondContact CA-O 3.34Å; R111-I184 WeakPolarHBondContact O-CA 3.44Å; R111-E185 PolarHBondContact O-N 2.83Å; R111-Y186 PolarHBondContact O-N 2.97Å
112	A	94.8	Very high	88.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.6	177.4	0	0	0	0	0	112.8	L98 F102 D161 I162 I163 Y186	L98-A112 HydrophobicContact CD1-CB 3.61Å; L98-A112 HydrophobicContact CD2-CB 4.48Å; L98-A112 HydrophobicContact CG-CB 4.05Å; F102-A112 HydrophobicContact CE2-CB 4.08Å; A112-D161 PolarHBondContact N-O 3.46Å; A112-I162 HydrophobicContact CB-CG1 4.35Å; A112-I162 HydrophobicContact CB-CG2 4.3Å; A112-I163 PolarHBondContact O-N 2.95Å; A112-Y186 CarbonylContact C-O 3.6Å; A112-Y186 VanDerWaalsContact CA-O 3.3Å; A112-Y186 WeakPolarHBondContact CA-O 3.39Å; A112-Y186 HydrophobicContact CB-CD1 4.43Å
113	L	95.6	Very high	88.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.1	176.4	178.2	65.8	0	0	0	110.9	M115 I163 F170 I184 Y186 V187 V188 T207 L211	L113-M115 HydrophobicContact CD1-SD 3.65Å; L113-M115 HydrophobicContact CD2-CG 4.26Å; L113-M115 HydrophobicContact CD2-SD 3.86Å; L113-M115 HydrophobicContact CG-CG 4.09Å; L113-M115 HydrophobicContact CG-SD 3.71Å; L113-I163 CarbonylContact C-O 3.56Å; L113-I163 WeakPolarHBondContact CA-O 3.2Å; L113-I163 HydrophobicContact CD1-CB 3.95Å; L113-I163 HydrophobicContact CD1-CG2 3.76Å; L113-F170 HydrophobicContact CD1-CD1 4.24Å; L113-F170 HydrophobicContact CD1-CD2 4.42Å; L113-F170 HydrophobicContact CD1-CE1 3.67Å; L113-F170 HydrophobicContact CD1-CE2 3.91Å; L113-F170 HydrophobicContact CD1-CZ 3.48Å; L113-F170 VanDerWaalsContact CD1-CZ 3.48Å; L113-F170 HydrophobicContact CD2-CD1 4.33Å; L113-F170 HydrophobicContact CD2-CE1 3.48Å; L113-F170 VanDerWaalsContact CD2-CE1 3.48Å; L113-F170 HydrophobicContact CD2-CZ 3.89Å; L113-F170 HydrophobicContact CG-CE1 4.23Å; L113-F170 HydrophobicContact CG-CZ 4.34Å; L113-I184 HydrophobicContact CB-CD1 4.07Å; L113-I184 HydrophobicContact CB-CG2 4.16Å; L113-I184 HydrophobicContact CD2-CD1 4.42Å; L113-Y186 PolarHBondContact N-O 3Å; L113-V187 CarbonylContact O-C 3.49Å; L113-V187 WeakPolarHBondContact O-CA 3.26Å; L113-V188 PolarHBondContact O-N 2.88Å; L113-T207 HydrophobicContact CD2-CG2 4.21Å; L113-L211 HydrophobicContact CD2-CD1 4.27Å; L113-L211 HydrophobicContact CD2-CD2 4.39Å
114	I	96	Very high	88.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.6	177	-55.5	170.1	0	0	0	108.4	F94 L95 L98 T125 I162 I163 I164 A165 V188	F94-I114 HydrophobicContact CE2-CD1 4.05Å; F94-I114 HydrophobicContact CE2-CG2 4.21Å; F94-I114 HydrophobicContact CZ-CG2 4.43Å; L95-I114 HydrophobicContact CD2-CD1 3.72Å; L98-I114 HydrophobicContact CD1-CD1 4.19Å; I114-T125 HydrophobicContact CD1-CG2 4.39Å; I114-T125 HydrophobicContact CG2-CG2 4.18Å; I114-I162 HydrophobicContact CD1-CG2 4.08Å; I114-I163 PolarHBondContact N-O 2.77Å; I114-I164 HydrophobicContact CB-CG1 4.16Å; I114-I164 HydrophobicContact CD1-CG1 4.09Å; I114-I164 CarbonylContact O-C 3.51Å; I114-I164 WeakPolarHBondContact O-CA 3.39Å; I114-A165 PolarHBondContact O-N 2.88Å; I114-V188 HydrophobicContact CB-CB 4.46Å; I114-V188 HydrophobicContact CG1-CB 4.18Å; I114-V188 HydrophobicContact CG1-CG2 4.24Å; I114-V188 HydrophobicContact CG2-CB 4.25Å; I114-V188 HydrophobicContact CG2-CG1 4.49Å
115	M	95.4	Very high	89.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.6	-179.2	-58.4	-59.6	-77.3	0	0	109.6	L113 A165 P167 F170 V188 F189 D190 L204	L113-M115 HydrophobicContact CD1-SD 3.65Å; L113-M115 HydrophobicContact CD2-CG 4.26Å; L113-M115 HydrophobicContact CD2-SD 3.86Å; L113-M115 HydrophobicContact CG-CG 4.09Å; L113-M115 HydrophobicContact CG-SD 3.71Å; M115-A165 WeakPolarHBondContact CA-O 3.42Å; M115-A165 HydrophobicContact SD-CB 4.4Å; M115-P167 HydrophobicContact CE-CB 3.92Å; M115-P167 HydrophobicContact CE-CG 3.94Å; M115-F170 HydrophobicContact CE-CB 4.17Å; M115-F170 HydrophobicContact CE-CD1 3.8Å; M115-F170 HydrophobicContact CE-CG 4.31Å; M115-F170 HydrophobicContact SD-CD1 3.94Å; M115-F170 HydrophobicContact SD-CE1 4.39Å; M115-F170 HydrophobicContact SD-CG 4.41Å; M115-V188 PolarHBondContact N-O 2.95Å; M115-F189 HydrophobicContact CB-CD1 3.72Å; M115-F189 HydrophobicContact CB-CE1 4.02Å; M115-F189 HydrophobicContact CG-CD1 4Å; M115-F189 HydrophobicContact CG-CE1 3.78Å; M115-D190 PolarHBondContact O-N 2.73Å; M115-L204 HydrophobicContact CE-CD2 4.19Å
116	S	93.2	Very high	89.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.			trans	-121.1	142.4	178.7	-55.9	0	0	0	0	111.4	T118 A165 T166 P167	S116-T118 PolarHBondContact O-N 3.21Å; S116-A165 PolarHBondContact N-O 3.33Å; S116-T166 WeakPolarHBondContact O-CA 3.45Å; S116-P167 WeakPolarHBondContact O-CD 3.48Å
117	P	89.4	Confident	89.9	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.019	15%	0.152	C	C	.	.	S	Bend	trans	-67.2	-28.7	-175.1	21.6	-34.5	0	0	0	115.2	L121 D190 E191 R194 L195 L198 F200	P117-L121 HydrophobicContact CG-CD2 4.06Å; P117-D190 WeakPolarHBondContact CD-O 3.48Å; P117-E191 HydrophobicContact CG-CB 3.89Å; P117-R194 HydrophobicContact CB-CB 4.42Å; P117-R194 HydrophobicContact CB-CG 4.11Å; P117-R194 HydrophobicContact CG-CB 4.27Å; P117-R194 HydrophobicContact CG-CG 4.19Å; P117-L195 HydrophobicContact CB-CD2 3.94Å; P117-L195 HydrophobicContact CB-CG 4.11Å; P117-L198 HydrophobicContact CB-CD1 3.9Å; P117-F200 WeakPolarHBondContact O-CE2 3.47Å
118	T	86.8	Confident	90.4	Very high	27 Å²	27	22.9 Å²	22.9	17%	0.166	13%	0.127	C	C	.	.	S	Bend	trans	-137	161	178.1	62.2	0	0	0	0	113.9	S116 E120 L121 A122 R194 L198	S116-T118 PolarHBondContact O-N 3.21Å; T118-E120 VanDerWaalsContact C-N 3.27Å; T118-E120 WeakPolarHBondContact CB-OE2 3.43Å; T118-E120 PolarHBondContact O-N 2.99Å; T118-E120 PolarHBondContact OG1-OE2 3.23Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-A122 PolarHBondContact O-N 3.41Å; T118-A122 VanDerWaalsContact O-N 3.1Å; T118-R194 PolarHBondContact OG1-NH2 3.46Å; T118-L198 HydrophobicContact CG2-CD1 4.03Å
119	R	87.2	Confident	91	Very high	49 Å²	49	19.2 Å²	19.2	19%	0.185	10%	0.096	C	C	.	.	H	α-helix	trans	-53	-44.8	-179.2	-176.1	-175.1	173.4	79.4	7.8	111.8	A122 I123 L144 G145 D147	R119-A122 PolarHBondContact O-N 2.97Å; R119-I123 HydrophobicContact CG-CD1 4Å; R119-I123 VanDerWaalsContact O-CG1 3.3Å; R119-I123 WeakPolarHBondContact O-CG1 3.38Å; R119-I123 PolarHBondContact O-N 3.41Å; R119-L144 HydrophobicContact CG-CB 4.18Å; R119-L144 HydrophobicContact CG-CD1 3.69Å; R119-L144 HydrophobicContact CG-CG 4.37Å; R119-G145 PolarHBondContact NH1-O 3.28Å; R119-D147 IonicContact CZ-OD1 3.99Å; R119-D147 VanDerWaalsContact CZ-OD1 3.25Å; R119-D147 IonicContact CZ-OD2 3.65Å; R119-D147 IonicContact NH1-OD1 2.98Å; R119-D147 PolarHBondContact NH1-OD1 2.72Å; R119-D147 IonicContact NH1-OD2 3.41Å; R119-D147 PolarHBondContact NH1-OD2 2.8Å; R119-D147 IonicContact NH2-OD1 3.74Å; R119-D147 PolarHBondContact NH2-OD1 2.85Å; R119-D147 IonicContact NH2-OD2 3.77Å
120	E	83.9	Confident	91.4	Very high	23 Å²	23	24.5 Å²	24.5	11%	0.107	12%	0.116	C	C	.	.	H	α-helix	trans	-67.7	-40.8	-174.4	-60	80.8	-177	0	0	111.9	T118 I123 Q124 R320 G344 V345	T118-E120 VanDerWaalsContact C-N 3.27Å; T118-E120 WeakPolarHBondContact CB-OE2 3.43Å; T118-E120 PolarHBondContact O-N 2.99Å; T118-E120 PolarHBondContact OG1-OE2 3.23Å; E120-I123 PolarHBondContact O-N 2.96Å; E120-Q124 VanDerWaalsContact O-CD 3.31Å; E120-Q124 VanDerWaalsContact O-CG 3.3Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 3.09Å; E120-Q124 VanDerWaalsContact O-N 3.08Å; E120-Q124 PolarHBondContact O-NE2 3.01Å; E120-R320 WeakPolarHBondContact OE1-CD 3.36Å; E120-R320 IonicContact OE1-CZ 3.25Å; E120-R320 IonicContact OE1-NE 3.71Å; E120-R320 IonicContact OE1-NH1 2.89Å; E120-R320 PolarHBondContact OE1-NH1 3.28Å; E120-G344 VanDerWaalsContact CB-O 3.29Å; E120-G344 WeakPolarHBondContact CB-O 3.47Å; E120-V345 HydrophobicContact CB-CG2 4.5Å; E120-V345 HydrophobicContact CG-CG2 4.1Å
121	L	87.4	Confident	91.3	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-70.7	-40.4	176.8	-179.8	56.1	0	0	0	111.4	P117 T118 I123 Q124 T125 E191 G344	P117-L121 HydrophobicContact CG-CD2 4.06Å; T118-L121 PolarHBondContact O-N 2.93Å; L121-I123 VanDerWaalsContact C-N 3.31Å; L121-I123 PolarHBondContact O-N 3.48Å; L121-Q124 WeakPolarHBondContact O-CB 3.44Å; L121-Q124 PolarHBondContact O-N 2.7Å; L121-T125 PolarHBondContact O-N 3.34Å; L121-T125 PolarHBondContact O-OG1 3.13Å; L121-E191 HydrophobicContact CD2-CB 4.36Å; L121-E191 HydrophobicContact CD2-CG 3.98Å; L121-G344 PolarHBondContact N-O 3.24Å
122	A	92.1	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-41	173.9	0	0	0	0	0	112.2	T118 R119 T125 L126 I142 L144 I164	T118-A122 PolarHBondContact O-N 3.41Å; T118-A122 VanDerWaalsContact O-N 3.1Å; R119-A122 PolarHBondContact O-N 2.97Å; A122-T125 PolarHBondContact O-N 3.39Å; A122-L126 PolarHBondContact O-N 3.35Å; A122-I142 HydrophobicContact CB-CD1 4.1Å; A122-I142 HydrophobicContact CB-CG1 4.5Å; A122-I142 WeakPolarHBondContact O-CD1 3.2Å; A122-L144 HydrophobicContact CB-CD2 3.48Å; A122-L144 VanDerWaalsContact CB-CD2 3.48Å; A122-I164 HydrophobicContact CB-CG2 3.98Å
123	I	90.6	Very high	90.8	Very high	46 Å²	46	27.2 Å²	27.2	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-41.3	175.9	-68.3	164.9	0	0	0	111.3	R119 E120 L121 L126 N127 I142 L144	R119-I123 HydrophobicContact CG-CD1 4Å; R119-I123 VanDerWaalsContact O-CG1 3.3Å; R119-I123 WeakPolarHBondContact O-CG1 3.38Å; R119-I123 PolarHBondContact O-N 3.41Å; E120-I123 PolarHBondContact O-N 2.96Å; L121-I123 VanDerWaalsContact C-N 3.31Å; L121-I123 PolarHBondContact O-N 3.48Å; I123-L126 PolarHBondContact O-N 3.02Å; I123-N127 PolarHBondContact O-N 3.33Å; I123-I142 HydrophobicContact CB-CD1 4.4Å; I123-I142 HydrophobicContact CG1-CD1 3.8Å; I123-L144 HydrophobicContact CD1-CD1 3.87Å; I123-L144 HydrophobicContact CG1-CD1 3.66Å
124	Q	88.1	Confident	90.5	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	16%	0.16	S	C	.	.	H	α-helix	trans	-59	-47.7	174.3	-70.5	152.9	39.3	0	0	110.9	E120 L121 L126 N127 F128 G344 D346	E120-Q124 VanDerWaalsContact O-CD 3.31Å; E120-Q124 VanDerWaalsContact O-CG 3.3Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 3.09Å; E120-Q124 VanDerWaalsContact O-N 3.08Å; E120-Q124 PolarHBondContact O-NE2 3.01Å; L121-Q124 WeakPolarHBondContact O-CB 3.44Å; L121-Q124 PolarHBondContact O-N 2.7Å; Q124-L126 PolarHBondContact O-N 3.45Å; Q124-N127 PolarHBondContact O-N 3.49Å; Q124-F128 VanDerWaalsContact O-CB 3.26Å; Q124-F128 WeakPolarHBondContact O-CB 3.43Å; Q124-F128 PolarHBondContact O-N 3.48Å; Q124-G344 PolarHBondContact NE2-O 3.46Å; Q124-D346 VanDerWaalsContact CD-CB 3.42Å; Q124-D346 HydrophobicContact CG-CB 4.13Å
125	T	92.2	Very high	90.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-38.7	177.9	-57	0	0	0	0	112	T91 F94 I114 L121 A122 F128 T129 I164	T91-T125 HydrophobicContact CG2-CG2 4.09Å; F94-T125 HydrophobicContact CE2-CG2 4.22Å; F94-T125 HydrophobicContact CZ-CG2 4.24Å; I114-T125 HydrophobicContact CD1-CG2 4.39Å; I114-T125 HydrophobicContact CG2-CG2 4.18Å; L121-T125 PolarHBondContact O-N 3.34Å; L121-T125 PolarHBondContact O-OG1 3.13Å; A122-T125 PolarHBondContact O-N 3.39Å; T125-F128 PolarHBondContact O-N 2.98Å; T125-T129 VanDerWaalsContact O-CB 3.3Å; T125-T129 WeakPolarHBondContact O-CB 3.2Å; T125-T129 PolarHBondContact O-N 2.88Å; T125-T129 PolarHBondContact O-OG1 3.16Å; T125-I164 HydrophobicContact CG2-CD1 4.15Å
126	L	93.6	Very high	89.7	Confident	15 Å²	15	39.3 Å²	39.3	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-49.2	174.7	179.4	77.3	0	0	0	112.4	A122 I123 Q124 F128 T129 K130 A140 I142 I164	A122-L126 PolarHBondContact O-N 3.35Å; I123-L126 PolarHBondContact O-N 3.02Å; Q124-L126 PolarHBondContact O-N 3.45Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 PolarHBondContact O-N 2.97Å; L126-T129 WeakPolarHBondContact O-CB 3.31Å; L126-T129 PolarHBondContact O-N 3.46Å; L126-K130 HydrophobicContact CG-CD 4.4Å; L126-K130 WeakPolarHBondContact O-CG 3.39Å; L126-K130 PolarHBondContact O-N 3.1Å; L126-A140 HydrophobicContact CD1-CB 3.95Å; L126-I142 HydrophobicContact CB-CD1 3.9Å; L126-I142 HydrophobicContact CD1-CB 4.36Å; L126-I142 HydrophobicContact CD2-CB 3.91Å; L126-I142 HydrophobicContact CD2-CD1 3.94Å; L126-I142 HydrophobicContact CD2-CG1 4.48Å; L126-I142 HydrophobicContact CD2-CG2 3.91Å; L126-I142 HydrophobicContact CG-CD1 4.47Å; L126-I164 VanDerWaalsContact CA-CD1 3.46Å; L126-I164 HydrophobicContact CB-CD1 3.87Å; L126-I164 HydrophobicContact CD1-CD1 3.95Å
127	N	92.1	Very high	89.5	Confident	82 Å²	82	42.9 Å²	42.9	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-44.6	179.2	-69.6	-8.4	0	0	0	110.3	I123 Q124 T129 K130 E131	I123-N127 PolarHBondContact O-N 3.33Å; Q124-N127 PolarHBondContact O-N 3.49Å; N127-T129 PolarHBondContact O-N 3.25Å; N127-K130 PolarHBondContact O-N 2.83Å; N127-E131 VanDerWaalsContact O-CG 3.31Å; N127-E131 WeakPolarHBondContact O-CG 3.48Å; N127-E131 PolarHBondContact O-N 2.84Å
128	F	90.8	Very high	89.6	Confident	29 Å²	29	43.8 Å²	43.8	13%	0.127	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-38	177.1	-167.1	-87.3	0	0	0	113	Y50 T91 A92 L95 Q124 T125 L126 E131 L132	Y50-F128 HydrophobicContact CE2-CE2 4.27Å; Y50-F128 AromaticContact CE2-CZ 3.79Å; Y50-F128 HydrophobicContact CE2-CZ 3.79Å; Y50-F128 WeakPolarHBondContact OH-CE2 3.36Å; Y50-F128 WeakPolarHBondContact OH-CZ 3.5Å; T91-F128 HydrophobicContact CG2-CB 4.44Å; T91-F128 HydrophobicContact CG2-CD1 3.65Å; T91-F128 HydrophobicContact CG2-CE1 4.03Å; T91-F128 HydrophobicContact CG2-CG 4.13Å; A92-F128 HydrophobicContact CB-CE1 3.89Å; A92-F128 HydrophobicContact CB-CZ 3.9Å; L95-F128 HydrophobicContact CD1-CD1 3.55Å; L95-F128 HydrophobicContact CD1-CE1 4.05Å; Q124-F128 VanDerWaalsContact O-CB 3.26Å; Q124-F128 WeakPolarHBondContact O-CB 3.43Å; Q124-F128 PolarHBondContact O-N 3.48Å; T125-F128 PolarHBondContact O-N 2.98Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 PolarHBondContact O-N 2.97Å; F128-E131 PolarHBondContact O-N 3.36Å; F128-L132 HydrophobicContact CE1-CD2 3.96Å; F128-L132 VanDerWaalsContact O-CB 3.23Å; F128-L132 WeakPolarHBondContact O-CB 3.35Å; F128-L132 PolarHBondContact O-N 2.94Å
129	T	93.2	Very high	89.8	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-42.8	173.3	-57.8	0	0	0	0	110.9	L95 F99 T125 L126 N127 G133 A140 I162	L95-T129 WeakPolarHBondContact CD1-OG1 3.28Å; L95-T129 HydrophobicContact CD2-CG2 4.24Å; F99-T129 HydrophobicContact CE1-CG2 4.17Å; F99-T129 HydrophobicContact CZ-CG2 3.88Å; T125-T129 VanDerWaalsContact O-CB 3.3Å; T125-T129 WeakPolarHBondContact O-CB 3.2Å; T125-T129 PolarHBondContact O-N 2.88Å; T125-T129 PolarHBondContact O-OG1 3.16Å; L126-T129 WeakPolarHBondContact O-CB 3.31Å; L126-T129 PolarHBondContact O-N 3.46Å; N127-T129 PolarHBondContact O-N 3.25Å; T129-G133 WeakPolarHBondContact O-CA 3.5Å; T129-G133 PolarHBondContact O-N 3.49Å; T129-A140 HydrophobicContact CG2-CB 4.14Å; T129-I162 HydrophobicContact CG2-CD1 3.93Å
130	K	92.3	Very high	90.1	Very high	122 Å²	122	46.4 Å²	46.4	53%	0.53	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-38.5	177.1	-72.2	-178.8	175.6	-172.5	0	113.1	L126 N127 K134	L126-K130 HydrophobicContact CG-CD 4.4Å; L126-K130 WeakPolarHBondContact O-CG 3.39Å; L126-K130 PolarHBondContact O-N 3.1Å; N127-K130 PolarHBondContact O-N 2.83Å; K130-K134 PolarHBondContact O-N 3.05Å
131	E	90.5	Very high	90.6	Very high	91 Å²	91	46 Å²	46	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-70	-47.8	178.3	-73.2	170.1	178.9	0	0	112	K48 N127 F128	K48-E131 WeakPolarHBondContact CE-OE2 3.49Å; K48-E131 IonicContact NZ-OE2 3.13Å; K48-E131 PolarHBondContact NZ-OE2 3.33Å; N127-E131 VanDerWaalsContact O-CG 3.31Å; N127-E131 WeakPolarHBondContact O-CG 3.48Å; N127-E131 PolarHBondContact O-N 2.84Å; F128-E131 PolarHBondContact O-N 3.36Å
132	L	88.4	Confident	91	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-37.7	-179.7	-172.1	65.3	0	0	0	111.5	G44 I45 A92 L95 I96 F99 F128 K134	G44-L132 WeakPolarHBondContact CA-O 3.42Å; I45-L132 HydrophobicContact CB-CD1 4.46Å; I45-L132 HydrophobicContact CG1-CD1 3.76Å; A92-L132 HydrophobicContact CB-CD2 4.46Å; L95-L132 HydrophobicContact CB-CD2 4.05Å; I96-L132 HydrophobicContact CG1-CD2 4.17Å; F99-L132 HydrophobicContact CD2-CD2 4.36Å; F99-L132 HydrophobicContact CD2-CG 4.31Å; F99-L132 HydrophobicContact CE2-CB 3.97Å; F99-L132 HydrophobicContact CE2-CD2 3.85Å; F99-L132 HydrophobicContact CE2-CG 3.75Å; F128-L132 HydrophobicContact CE1-CD2 3.96Å; F128-L132 VanDerWaalsContact O-CB 3.23Å; F128-L132 WeakPolarHBondContact O-CB 3.35Å; F128-L132 PolarHBondContact O-N 2.94Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.36Å
133	G	88.3	Confident	91.1	Very high	7 Å²	7	47.1 Å²	47.1	7%	0.072	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	11.8	178	0	0	0	0	0	114.9	T129 F135 T136	T129-G133 WeakPolarHBondContact O-CA 3.5Å; T129-G133 PolarHBondContact O-N 3.49Å; G133-F135 PolarHBondContact O-N 2.84Å; G133-T136 PolarHBondContact O-N 2.83Å; G133-T136 PolarHBondContact O-OG1 2.88Å
134	K	88.7	Confident	91.2	Very high	140 Å²	140	45.1 Å²	45.1	61%	0.609	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.6	-174.7	-176.9	174.4	-177.9	-179.1	0	113.4	K47 K130 L132	K47-K134 HydrophobicContact CD-CD 4.26Å; K130-K134 PolarHBondContact O-N 3.05Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.36Å
135	F	87.3	Confident	91.1	Very high	92 Å²	92	44 Å²	44	40%	0.404	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8.7	-179.7	-55.6	-79.8	0	0	0	113.5	A40 N43 K47 G133	A40-F135 HydrophobicContact CB-CB 4.15Å; A40-F135 VanDerWaalsContact CB-O 3.29Å; A40-F135 WeakPolarHBondContact CB-O 3.36Å; N43-F135 HydrophobicContact CB-CD2 3.64Å; N43-F135 HydrophobicContact CB-CE2 3.76Å; N43-F135 HydrophobicContact CB-CG 4.07Å; N43-F135 HydrophobicContact CB-CZ 4.29Å; K47-F135 HydrophobicContact CB-CE2 4.21Å; K47-F135 HydrophobicContact CD-CE2 3.88Å; K47-F135 HydrophobicContact CD-CZ 4.06Å; G133-F135 PolarHBondContact O-N 2.84Å
136	T	87.6	Confident	90.7	Very high	23 Å²	23	47.2 Å²	47.2	14%	0.141	26%	0.262	C	S	.	.	S	Bend	trans	-105.8	144.8	176.1	69.1	0	0	0	0	110	A40 F99 G133 L138	A40-T136 HydrophobicContact CB-CG2 4.11Å; F99-T136 HydrophobicContact CB-CG2 4.39Å; F99-T136 HydrophobicContact CD1-CG2 4.4Å; F99-T136 HydrophobicContact CG-CG2 4.34Å; G133-T136 PolarHBondContact O-N 2.83Å; G133-T136 PolarHBondContact O-OG1 2.88Å; T136-L138 PolarHBondContact O-N 3.1Å; T136-L138 VanDerWaalsContact O-N 3.15Å
137	P	89	Confident	90.3	Very high	75 Å²	75	48.8 Å²	48.8	49%	0.487	27%	0.27	S	S	.	.			trans	-75.9	5.5	179.3	32.3	-36.9	0	0	0	113.8	P103 H105	P103-P137 WeakPolarHBondContact O-CD 3.3Å; P103-P137 WeakPolarHBondContact O-CG 3.36Å; H105-P137 HydrophobicContact CB-CB 4.48Å
138	L	91.2	Very high	90.1	Very high	22 Å²	22	51.3 Å²	51.3	12%	0.115	28%	0.277	C	S	.	.			trans	-75.1	136.7	-170.2	-66.4	168.9	0	0	0	113	L98 F99 F102 T136 D161 I162	L98-L138 HydrophobicContact CD2-CD1 4.45Å; F99-L138 HydrophobicContact CD1-CD1 3.56Å; F99-L138 HydrophobicContact CE1-CD1 4.07Å; F102-L138 HydrophobicContact CB-CD1 4.32Å; F102-L138 HydrophobicContact CB-CD2 4.02Å; F102-L138 WeakPolarHBondContact O-CD1 3.19Å; F102-L138 WeakPolarHBondContact O-CD2 3.49Å; T136-L138 PolarHBondContact O-N 3.1Å; T136-L138 VanDerWaalsContact O-N 3.15Å; L138-D161 HydrophobicContact CD2-CB 3.88Å; L138-I162 HydrophobicContact CB-CD1 4.42Å; L138-I162 HydrophobicContact CD1-CD1 4.41Å
139	K	91.7	Very high	89.9	Confident	102 Å²	102	50.8 Å²	50.8	44%	0.443	28%	0.276	S	S	.	.			trans	-97.4	119	178.5	-65.3	174.5	-170.7	160.3	0	110.7	H105 P160 D161 I162	H105-K139 PolarHBondContact NE2-NZ 3Å; K139-P160 CarbonylContact O-C 3.17Å; K139-D161 PolarHBondContact N-OD2 3.15Å; K139-D161 PolarHBondContact O-N 2.85Å; K139-I162 PolarHBondContact O-N 3.13Å
140	A	93.7	Very high	89.7	Confident	28 Å²	28	55.1 Å²	55.1	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.9	175.8	0	0	0	0	0	112.2	L126 T129 I162	L126-A140 HydrophobicContact CD1-CB 3.95Å; T129-A140 HydrophobicContact CG2-CB 4.14Å; A140-I162 WeakPolarHBondContact CA-O 3.25Å; A140-I162 HydrophobicContact CB-CB 4.07Å; A140-I162 HydrophobicContact CB-CD1 4.45Å
141	T	94.2	Very high	89.6	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	165.4	174	-162.2	0	0	0	0	112	A155 L156 P160 I162 I163 I164	T141-A155 WeakPolarHBondContact OG1-CB 3.38Å; T141-L156 HydrophobicContact CG2-CD2 4.37Å; T141-P160 HydrophobicContact CG2-CB 3.76Å; T141-P160 HydrophobicContact CG2-CG 3.41Å; T141-P160 VanDerWaalsContact CG2-CG 3.41Å; T141-I162 PolarHBondContact N-O 3.45Å; T141-I163 HydrophobicContact CG2-CB 4.33Å; T141-I163 HydrophobicContact CG2-CG1 3.8Å; T141-I163 HydrophobicContact CG2-CG2 4.47Å; T141-I164 PolarHBondContact O-N 3.05Å
142	I	95	Very high	89.6	Confident	37 Å²	37	49.9 Å²	49.9	19%	0.19	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.2	179.6	-158.2	173.2	0	0	0	112.3	A122 I123 L126 L144 I164	A122-I142 HydrophobicContact CB-CD1 4.1Å; A122-I142 HydrophobicContact CB-CG1 4.5Å; A122-I142 WeakPolarHBondContact O-CD1 3.2Å; I123-I142 HydrophobicContact CB-CD1 4.4Å; I123-I142 HydrophobicContact CG1-CD1 3.8Å; L126-I142 HydrophobicContact CB-CD1 3.9Å; L126-I142 HydrophobicContact CD1-CB 4.36Å; L126-I142 HydrophobicContact CD2-CB 3.91Å; L126-I142 HydrophobicContact CD2-CD1 3.94Å; L126-I142 HydrophobicContact CD2-CG1 4.48Å; L126-I142 HydrophobicContact CD2-CG2 3.91Å; L126-I142 HydrophobicContact CG-CD1 4.47Å; I142-L144 HydrophobicContact CD1-CD1 3.66Å; I142-L144 HydrophobicContact CD1-CD2 3.93Å; I142-L144 HydrophobicContact CD1-CG 4.04Å; I142-L144 HydrophobicContact CG1-CD1 3.96Å; I142-L144 HydrophobicContact CG1-CD2 3.7Å; I142-L144 HydrophobicContact CG1-CG 3.78Å; I142-I164 CarbonylContact C-O 3.41Å; I142-I164 VanDerWaalsContact CA-O 3.24Å; I142-I164 WeakPolarHBondContact CA-O 3.27Å; I142-I164 HydrophobicContact CG1-CB 4.34Å; I142-I164 HydrophobicContact CG1-CG2 4.49Å; I142-I164 WeakPolarHBondContact CG1-O 3.44Å
143	I	94.8	Very high	89.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	102.4	-174.8	-61.1	173.9	0	0	0	110.1	L156 I163 I164 A165 T166 R169 F170 V173	I143-L156 HydrophobicContact CD1-CD1 3.78Å; I143-L156 HydrophobicContact CD1-CD2 4.05Å; I143-L156 HydrophobicContact CD1-CG 4.05Å; I143-I163 HydrophobicContact CD1-CG2 3.71Å; I143-I163 HydrophobicContact CG1-CG2 4.34Å; I143-I164 PolarHBondContact N-O 3.26Å; I143-A165 HydrophobicContact CB-CB 3.86Å; I143-A165 HydrophobicContact CG2-CB 4.48Å; I143-A165 WeakPolarHBondContact O-CA 3.49Å; I143-T166 PolarHBondContact O-N 2.89Å; I143-T166 VanDerWaalsContact O-N 3.15Å; I143-R169 HydrophobicContact CG2-CB 4.32Å; I143-R169 HydrophobicContact CG2-CG 3.65Å; I143-F170 HydrophobicContact CD1-CD2 4Å; I143-F170 HydrophobicContact CD1-CE2 4.27Å; I143-V173 HydrophobicContact CG2-CB 4.34Å; I143-V173 HydrophobicContact CG2-CG2 3.85Å
144	L	92.6	Very high	89.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	28%	0.284	C	S	.	.			trans	-127.5	149.9	-169	-48.2	175.7	0	0	0	113.2	R119 A122 I123 I142 D147 Q152 T166 R169	R119-L144 HydrophobicContact CG-CB 4.18Å; R119-L144 HydrophobicContact CG-CD1 3.69Å; R119-L144 HydrophobicContact CG-CG 4.37Å; A122-L144 HydrophobicContact CB-CD2 3.48Å; A122-L144 VanDerWaalsContact CB-CD2 3.48Å; I123-L144 HydrophobicContact CD1-CD1 3.87Å; I123-L144 HydrophobicContact CG1-CD1 3.66Å; I142-L144 HydrophobicContact CD1-CD1 3.66Å; I142-L144 HydrophobicContact CD1-CD2 3.93Å; I142-L144 HydrophobicContact CD1-CG 4.04Å; I142-L144 HydrophobicContact CG1-CD1 3.96Å; I142-L144 HydrophobicContact CG1-CD2 3.7Å; I142-L144 HydrophobicContact CG1-CG 3.78Å; L144-D147 WeakPolarHBondContact CB-OD2 3.48Å; L144-Q152 VanDerWaalsContact N-NE2 3.16Å; L144-Q152 PolarHBondContact O-NE2 3.13Å; L144-T166 HydrophobicContact CD2-CG2 4.02Å; L144-R169 VanDerWaalsContact C-CG 3.46Å; L144-R169 WeakPolarHBondContact O-CG 3.5Å
145	G	86.6	Confident	89.9	Confident	36 Å²	36	46 Å²	46	37%	0.371	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	141.1	165	0	0	0	0	0	110.9	R119	R119-G145 PolarHBondContact NH1-O 3.28Å
146	G	83	Confident	90	Very high	69 Å²	69	42.2 Å²	42.2	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	-36.3	178.7	0	0	0	0	0	114.2
147	D	85.9	Confident	90	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	27%	0.27	S	S	.	.	S	Bend	trans	-80.6	166.2	-177.4	-44.5	-54	0	0	0	112.5	R119 L144 Q152 R169	R119-D147 IonicContact CZ-OD1 3.99Å; R119-D147 VanDerWaalsContact CZ-OD1 3.25Å; R119-D147 IonicContact CZ-OD2 3.65Å; R119-D147 IonicContact NH1-OD1 2.98Å; R119-D147 PolarHBondContact NH1-OD1 2.72Å; R119-D147 IonicContact NH1-OD2 3.41Å; R119-D147 PolarHBondContact NH1-OD2 2.8Å; R119-D147 IonicContact NH2-OD1 3.74Å; R119-D147 PolarHBondContact NH2-OD1 2.85Å; R119-D147 IonicContact NH2-OD2 3.77Å; L144-D147 WeakPolarHBondContact CB-OD2 3.48Å; D147-Q152 PolarHBondContact OD2-NE2 3.03Å; D147-R169 PolarHBondContact O-NH1 3.42Å; D147-R169 PolarHBondContact O-NH2 2.98Å
148	K	87.6	Confident	89.9	Confident	135 Å²	135	50.7 Å²	50.7	59%	0.587	28%	0.279	S	S	*	.			trans	-62.8	142.8	175	-53.3	-169.1	-160.1	121.5	0	109.8	E150 E151 R169	K148-E150 VanDerWaalsContact C-N 3.31Å; K148-E151 HydrophobicContact CB-CB 4.49Å; K148-E151 HydrophobicContact CB-CG 4.14Å; K148-E151 VanDerWaalsContact CD-OE1 3.23Å; K148-E151 WeakPolarHBondContact CD-OE1 3.37Å; K148-E151 WeakPolarHBondContact CE-OE1 3.26Å; K148-E151 IonicContact NZ-OE1 2.77Å; K148-E151 PolarHBondContact NZ-OE1 3.25Å; K148-R169 PolarHBondContact O-NH2 3.31Å
149	M	87.1	Confident	89.8	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-39.3	176.6	-66.6	-71.9	-58	0	0	110.7	E151 Q152 F153 R169 V173 E176 K687	M149-E151 PolarHBondContact O-N 3.31Å; M149-Q152 WeakPolarHBondContact O-CB 3.39Å; M149-Q152 PolarHBondContact O-N 3.07Å; M149-F153 HydrophobicContact CB-CD2 4.38Å; M149-F153 HydrophobicContact CB-CE2 3.8Å; M149-F153 HydrophobicContact CB-CZ 3.92Å; M149-F153 HydrophobicContact CE-CE1 3.64Å; M149-F153 HydrophobicContact CE-CE2 4.47Å; M149-F153 HydrophobicContact CE-CZ 3.47Å; M149-F153 VanDerWaalsContact CE-CZ 3.47Å; M149-F153 WeakPolarHBondContact O-CD2 3.34Å; M149-F153 VanDerWaalsContact O-CG 3.27Å; M149-F153 WeakPolarHBondContact O-CG 3.28Å; M149-F153 PolarHBondContact O-N 3.22Å; M149-R169 PolarHBondContact SD-NE 2.86Å; M149-R169 PolarHBondContact SD-NH2 3.37Å; M149-R169 VanDerWaalsContact SD-NH2 3.44Å; M149-V173 HydrophobicContact CE-CG2 4Å; M149-E176 HydrophobicContact CE-CB 4.4Å; M149-E176 HydrophobicContact CE-CG 4.01Å; M149-K687 HydrophobicContact CG-CD 4.36Å
150	E	88	Confident	89.8	Confident	96 Å²	96	47 Å²	47	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-43.6	-175.4	-59.3	177.2	-170.1	0	0	112.3	K148 Q152 F153 A154 W691	K148-E150 VanDerWaalsContact C-N 3.31Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 2.91Å; E150-F153 PolarHBondContact O-N 2.63Å; E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 3.31Å; E150-W691 HydrophobicContact CB-CG 4.47Å; E150-W691 HydrophobicContact CG-CG 4.28Å
151	E	89.9	Confident	89.8	Confident	95 Å²	95	45.8 Å²	45.8	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-36.2	174.5	-68.7	162.7	-168.2	0	0	111.9	K148 M149 A155	K148-E151 HydrophobicContact CB-CB 4.49Å; K148-E151 HydrophobicContact CB-CG 4.14Å; K148-E151 VanDerWaalsContact CD-OE1 3.23Å; K148-E151 WeakPolarHBondContact CD-OE1 3.37Å; K148-E151 WeakPolarHBondContact CE-OE1 3.26Å; K148-E151 IonicContact NZ-OE1 2.77Å; K148-E151 PolarHBondContact NZ-OE1 3.25Å; M149-E151 PolarHBondContact O-N 3.31Å; E151-A155 VanDerWaalsContact O-CB 3.27Å; E151-A155 WeakPolarHBondContact O-CB 3.5Å; E151-A155 PolarHBondContact O-N 3.19Å
152	Q	90.5	Very high	89.8	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-78.7	-33.6	178.6	-67.4	177.1	-2.1	0	0	112.6	L144 D147 M149 E150 A155 L156	L144-Q152 VanDerWaalsContact N-NE2 3.16Å; L144-Q152 PolarHBondContact O-NE2 3.13Å; D147-Q152 PolarHBondContact OD2-NE2 3.03Å; M149-Q152 WeakPolarHBondContact O-CB 3.39Å; M149-Q152 PolarHBondContact O-N 3.07Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 2.91Å; Q152-A155 PolarHBondContact O-N 3.31Å; Q152-L156 PolarHBondContact O-N 2.84Å
153	F	90.5	Very high	89.9	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-48.1	170.3	-60.1	-32	0	0	0	110.4	M149 E150 A155 L156 H157 V173 E176 M177 K687 Y688 W691	M149-F153 HydrophobicContact CB-CD2 4.38Å; M149-F153 HydrophobicContact CB-CE2 3.8Å; M149-F153 HydrophobicContact CB-CZ 3.92Å; M149-F153 HydrophobicContact CE-CE1 3.64Å; M149-F153 HydrophobicContact CE-CE2 4.47Å; M149-F153 HydrophobicContact CE-CZ 3.47Å; M149-F153 VanDerWaalsContact CE-CZ 3.47Å; M149-F153 WeakPolarHBondContact O-CD2 3.34Å; M149-F153 VanDerWaalsContact O-CG 3.27Å; M149-F153 WeakPolarHBondContact O-CG 3.28Å; M149-F153 PolarHBondContact O-N 3.22Å; E150-F153 PolarHBondContact O-N 2.63Å; F153-A155 VanDerWaalsContact C-N 3.35Å; F153-A155 PolarHBondContact O-N 3.26Å; F153-L156 PolarHBondContact O-N 3.15Å; F153-H157 WeakPolarHBondContact O-CB 3.37Å; F153-H157 PolarHBondContact O-N 2.99Å; F153-V173 HydrophobicContact CD1-CG1 4.33Å; F153-V173 HydrophobicContact CE1-CG1 4.31Å; F153-E176 HydrophobicContact CE1-CB 4.07Å; F153-E176 HydrophobicContact CZ-CB 3.99Å; F153-E176 HydrophobicContact CZ-CG 4.46Å; F153-M177 HydrophobicContact CD1-CG 3.67Å; F153-M177 HydrophobicContact CD1-SD 3.61Å; F153-M177 HydrophobicContact CE1-CG 3.74Å; F153-M177 HydrophobicContact CE1-SD 4.21Å; F153-K687 HydrophobicContact CE2-CB 4.33Å; F153-Y688 HydrophobicContact CB-CD2 4.17Å; F153-Y688 HydrophobicContact CB-CE2 4.31Å; F153-Y688 AromaticContact CD1-CD2 3.91Å; F153-Y688 HydrophobicContact CD1-CD2 3.91Å; F153-Y688 AromaticContact CD2-CD2 3.9Å; F153-Y688 HydrophobicContact CD2-CD2 3.9Å; F153-Y688 HydrophobicContact CE1-CD2 4.18Å; F153-Y688 HydrophobicContact CE2-CD2 4.18Å; F153-Y688 AromaticContact CG-CD2 3.76Å; F153-Y688 HydrophobicContact CG-CD2 3.76Å; F153-Y688 HydrophobicContact CG-CE2 4.36Å; F153-Y688 HydrophobicContact CZ-CD2 4.3Å; F153-Y688 HydrophobicContact CZ-CG 4.49Å; F153-W691 HydrophobicContact CB-CD2 3.85Å; F153-W691 HydrophobicContact CB-CE3 3.75Å; F153-W691 HydrophobicContact CB-CH2 4.11Å; F153-W691 HydrophobicContact CB-CZ2 4.2Å; F153-W691 HydrophobicContact CB-CZ3 3.89Å; F153-W691 HydrophobicContact CD2-CB 3.99Å; F153-W691 HydrophobicContact CD2-CD2 4.01Å; F153-W691 HydrophobicContact CD2-CE3 4.22Å; F153-W691 AromaticContact CD2-CG 3.9Å; F153-W691 HydrophobicContact CD2-CG 3.9Å; F153-W691 HydrophobicContact CE2-CB 4.37Å; F153-W691 HydrophobicContact CG-CD2 4.42Å; F153-W691 HydrophobicContact CG-CE3 4.36Å
154	A	90.3	Very high	89.9	Confident	36 Å²	36	43.4 Å²	43.4	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-43	174.7	0	0	0	0	0	112.2	E150 L156 H157 K158 W691	E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 3.31Å; A154-L156 VanDerWaalsContact C-N 3.32Å; A154-L156 PolarHBondContact O-N 2.91Å; A154-H157 PolarHBondContact O-N 3.43Å; A154-K158 PolarHBondContact O-N 3.21Å; A154-W691 HydrophobicContact CB-CZ2 3.88Å
155	A	90.6	Very high	90.1	Very high	30 Å²	30	43.3 Å²	43.3	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-27.4	178.8	0	0	0	0	0	113.9	T141 E151 Q152 F153	T141-A155 WeakPolarHBondContact OG1-CB 3.38Å; E151-A155 VanDerWaalsContact O-CB 3.27Å; E151-A155 WeakPolarHBondContact O-CB 3.5Å; E151-A155 PolarHBondContact O-N 3.19Å; Q152-A155 PolarHBondContact O-N 3.31Å; F153-A155 VanDerWaalsContact C-N 3.35Å; F153-A155 PolarHBondContact O-N 3.26Å
156	L	90.5	Very high	90.4	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-79.6	-33.8	171.6	-83.5	170.3	0	0	0	112.8	T141 I143 Q152 F153 A154 K158 S159 P160 I163 V173 M177 L179	T141-L156 HydrophobicContact CG2-CD2 4.37Å; I143-L156 HydrophobicContact CD1-CD1 3.78Å; I143-L156 HydrophobicContact CD1-CD2 4.05Å; I143-L156 HydrophobicContact CD1-CG 4.05Å; Q152-L156 PolarHBondContact O-N 2.84Å; F153-L156 PolarHBondContact O-N 3.15Å; A154-L156 VanDerWaalsContact C-N 3.32Å; A154-L156 PolarHBondContact O-N 2.91Å; L156-K158 PolarHBondContact O-N 3.41Å; L156-S159 PolarHBondContact O-N 3.01Å; L156-S159 VanDerWaalsContact O-N 3.11Å; L156-P160 HydrophobicContact CD2-CG 4.15Å; L156-P160 VanDerWaalsContact O-CD 3.3Å; L156-P160 WeakPolarHBondContact O-CD 3.43Å; L156-I163 HydrophobicContact CD2-CD1 3.73Å; L156-I163 HydrophobicContact CD2-CG1 4.28Å; L156-V173 HydrophobicContact CD1-CG1 3.38Å; L156-M177 HydrophobicContact CB-CE 4.01Å; L156-M177 HydrophobicContact CB-SD 4.21Å; L156-M177 HydrophobicContact CD1-CE 4.29Å; L156-M177 HydrophobicContact CD1-SD 3.43Å; L156-M177 WeakPolarHBondContact CD1-SD 3.3Å; L156-M177 HydrophobicContact CG-SD 4.49Å; L156-L179 HydrophobicContact CD1-CD2 4.21Å; L156-L179 HydrophobicContact CD2-CD2 4.06Å
157	H	87.7	Confident	90.9	Very high	117 Å²	117	39 Å²	39	54%	0.542	20%	0.197	S	C	.	.	H	α-helix	trans	-68.9	-10.4	178.3	-147	-63.1	0	0	0	113.4	F153 A154 S159 W691	F153-H157 WeakPolarHBondContact O-CB 3.37Å; F153-H157 PolarHBondContact O-N 2.99Å; A154-H157 PolarHBondContact O-N 3.43Å; H157-S159 PolarHBondContact O-N 2.87Å; H157-W691 HydrophobicContact CB-CH2 4.4Å
158	K	87.3	Confident	91.2	Very high	159 Å²	159	37.7 Å²	37.7	69%	0.691	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	10.5	170	-67.6	-179.2	-179.9	-170.8	0	114	A154 L156	A154-K158 PolarHBondContact O-N 3.21Å; L156-K158 PolarHBondContact O-N 3.41Å
159	S	88	Confident	91.4	Very high	42 Å²	42	32.8 Å²	32.8	29%	0.294	17%	0.172	S	C	.	.			trans	46	64.9	-177.9	-63.6	0	0	0	0	114.4	H105 L156 H157	H105-S159 PolarHBondContact CE1-O 3.38Å; H105-S159 VanDerWaalsContact CE1-O 3.32Å; L156-S159 PolarHBondContact O-N 3.01Å; L156-S159 VanDerWaalsContact O-N 3.11Å; H157-S159 PolarHBondContact O-N 2.87Å
160	P	92.3	Very high	91.8	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.032	17%	0.168	C	C	.	.			trans	-72.5	138.7	177.9	29.6	-32.6	0	0	0	112	P110 K139 T141 L156	P110-P160 VanDerWaalsContact CA-O 3.26Å; P110-P160 WeakPolarHBondContact CA-O 3.49Å; K139-P160 CarbonylContact O-C 3.17Å; T141-P160 HydrophobicContact CG2-CB 3.76Å; T141-P160 HydrophobicContact CG2-CG 3.41Å; T141-P160 VanDerWaalsContact CG2-CG 3.41Å; L156-P160 HydrophobicContact CD2-CG 4.15Å; L156-P160 VanDerWaalsContact O-CD 3.3Å; L156-P160 WeakPolarHBondContact O-CD 3.43Å
161	D	93.2	Very high	92	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.147	C	C	.	.	S	Bend	trans	-71.1	-37	175	-53.9	-89.1	0	0	0	112.5	H105 S106 R111 A112 L138 K139	H105-D161 IonicContact CE1-OD2 2.7Å; H105-D161 IonicContact CG-OD2 2.64Å; H105-D161 VanDerWaalsContact ND1-CG 3.33Å; H105-D161 IonicContact ND1-OD1 3.56Å; H105-D161 PolarHBondContact ND1-OD1 3.47Å; H105-D161 IonicContact ND1-OD2 3.61Å; H105-D161 PolarHBondContact ND1-OD2 3.36Å; S106-D161 PolarHBondContact N-OD1 3.12Å; R111-D161 IonicContact CZ-OD1 3.04Å; R111-D161 PolarHBondContact N-O 3.42Å; R111-D161 IonicContact NE-OD1 2.89Å; R111-D161 IonicContact NH2-OD1 3.74Å; R111-D161 PolarHBondContact NH2-OD1 3.32Å; A112-D161 PolarHBondContact N-O 3.46Å; L138-D161 HydrophobicContact CD2-CB 3.88Å; K139-D161 PolarHBondContact N-OD2 3.15Å; K139-D161 PolarHBondContact O-N 2.85Å
162	I	94.9	Very high	92	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123	-174.2	-48.7	173.4	0	0	0	109.3	L98 F99 A112 I114 T129 L138 K139 A140 T141 I164	L98-I162 HydrophobicContact CD1-CG2 4.47Å; L98-I162 HydrophobicContact CD2-CD1 3.5Å; L98-I162 HydrophobicContact CD2-CG1 3.98Å; F99-I162 HydrophobicContact CE1-CD1 4.04Å; A112-I162 HydrophobicContact CB-CG1 4.35Å; A112-I162 HydrophobicContact CB-CG2 4.3Å; I114-I162 HydrophobicContact CD1-CG2 4.08Å; T129-I162 HydrophobicContact CG2-CD1 3.93Å; L138-I162 HydrophobicContact CB-CD1 4.42Å; L138-I162 HydrophobicContact CD1-CD1 4.41Å; K139-I162 PolarHBondContact O-N 3.13Å; A140-I162 WeakPolarHBondContact CA-O 3.25Å; A140-I162 HydrophobicContact CB-CB 4.07Å; A140-I162 HydrophobicContact CB-CD1 4.45Å; T141-I162 PolarHBondContact N-O 3.45Å; I162-I164 HydrophobicContact CG2-CG1 4.25Å
163	I	95.6	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.2	170.6	-63.7	175.6	0	0	0	109.2	P110 A112 L113 I114 T141 I143 L156 A165 F170 L179	P110-I163 HydrophobicContact CB-CD1 3.46Å; P110-I163 VanDerWaalsContact CB-CD1 3.46Å; P110-I163 HydrophobicContact CB-CG1 3.82Å; P110-I163 HydrophobicContact CG-CD1 3.68Å; A112-I163 PolarHBondContact O-N 2.95Å; L113-I163 CarbonylContact C-O 3.56Å; L113-I163 WeakPolarHBondContact CA-O 3.2Å; L113-I163 HydrophobicContact CD1-CB 3.95Å; L113-I163 HydrophobicContact CD1-CG2 3.76Å; I114-I163 PolarHBondContact N-O 2.77Å; T141-I163 HydrophobicContact CG2-CB 4.33Å; T141-I163 HydrophobicContact CG2-CG1 3.8Å; T141-I163 HydrophobicContact CG2-CG2 4.47Å; I143-I163 HydrophobicContact CD1-CG2 3.71Å; I143-I163 HydrophobicContact CG1-CG2 4.34Å; L156-I163 HydrophobicContact CD2-CD1 3.73Å; L156-I163 HydrophobicContact CD2-CG1 4.28Å; I163-A165 HydrophobicContact CG2-CB 4.07Å; I163-F170 HydrophobicContact CD1-CE2 4.18Å; I163-F170 HydrophobicContact CG2-CD2 4.16Å; I163-F170 HydrophobicContact CG2-CE2 3.82Å; I163-L179 HydrophobicContact CD1-CD2 4.49Å
164	I	96.5	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.9	169.6	-56.4	170.6	0	0	0	108.1	I114 A122 T125 L126 T141 I142 I143 I162	I114-I164 HydrophobicContact CB-CG1 4.16Å; I114-I164 HydrophobicContact CD1-CG1 4.09Å; I114-I164 CarbonylContact O-C 3.51Å; I114-I164 WeakPolarHBondContact O-CA 3.39Å; A122-I164 HydrophobicContact CB-CG2 3.98Å; T125-I164 HydrophobicContact CG2-CD1 4.15Å; L126-I164 VanDerWaalsContact CA-CD1 3.46Å; L126-I164 HydrophobicContact CB-CD1 3.87Å; L126-I164 HydrophobicContact CD1-CD1 3.95Å; T141-I164 PolarHBondContact O-N 3.05Å; I142-I164 CarbonylContact C-O 3.41Å; I142-I164 VanDerWaalsContact CA-O 3.24Å; I142-I164 WeakPolarHBondContact CA-O 3.27Å; I142-I164 HydrophobicContact CG1-CB 4.34Å; I142-I164 HydrophobicContact CG1-CG2 4.49Å; I142-I164 WeakPolarHBondContact CG1-O 3.44Å; I143-I164 PolarHBondContact N-O 3.26Å; I162-I164 HydrophobicContact CG2-CG1 4.25Å
165	A	95.6	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.9	-169.8	0	0	0	0	0	115.2	I114 M115 S116 I143 I163 F170	I114-A165 PolarHBondContact O-N 2.88Å; M115-A165 WeakPolarHBondContact CA-O 3.42Å; M115-A165 HydrophobicContact SD-CB 4.4Å; S116-A165 PolarHBondContact N-O 3.33Å; I143-A165 HydrophobicContact CB-CB 3.86Å; I143-A165 HydrophobicContact CG2-CB 4.48Å; I143-A165 WeakPolarHBondContact O-CA 3.49Å; I163-A165 HydrophobicContact CG2-CB 4.07Å; A165-F170 HydrophobicContact CB-CB 3.72Å; A165-F170 HydrophobicContact CB-CD2 3.87Å; A165-F170 HydrophobicContact CB-CG 3.92Å
166	T	94.3	Very high	91.7	Very high	16 Å²	16	22.3 Å²	22.3	10%	0.098	11%	0.112	C	C	.	.			trans	-93.8	136.4	165.9	64.4	0	0	0	0	110.4	S116 I143 L144 G168 R169 F170	S116-T166 WeakPolarHBondContact O-CA 3.45Å; I143-T166 PolarHBondContact O-N 2.89Å; I143-T166 VanDerWaalsContact O-N 3.15Å; L144-T166 HydrophobicContact CD2-CG2 4.02Å; T166-G168 VanDerWaalsContact C-N 3.34Å; T166-G168 PolarHBondContact O-N 3.31Å; T166-R169 PolarHBondContact O-N 3.41Å; T166-F170 WeakPolarHBondContact O-CB 3.33Å; T166-F170 PolarHBondContact O-N 3.28Å
167	P	93.3	Very high	91.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.1	-44.7	-168.7	-24.9	28.9	0	0	0	114.8	M115 S116 R169 F170 L171 L195 F200 Q203 L204	M115-P167 HydrophobicContact CE-CB 3.92Å; M115-P167 HydrophobicContact CE-CG 3.94Å; S116-P167 WeakPolarHBondContact O-CD 3.48Å; P167-R169 PolarHBondContact O-N 3.24Å; P167-F170 PolarHBondContact O-N 3.14Å; P167-L171 WeakPolarHBondContact O-CB 3.45Å; P167-L171 PolarHBondContact O-N 3.05Å; P167-L171 VanDerWaalsContact O-N 3.12Å; P167-L195 HydrophobicContact CG-CD2 3.52Å; P167-F200 HydrophobicContact CB-CB 4.01Å; P167-F200 HydrophobicContact CB-CD1 4.08Å; P167-F200 HydrophobicContact CB-CG 4.05Å; P167-F200 HydrophobicContact CG-CB 3.98Å; P167-F200 HydrophobicContact CG-CD1 4.41Å; P167-F200 HydrophobicContact CG-CD2 4.2Å; P167-F200 HydrophobicContact CG-CG 3.96Å; P167-Q203 HydrophobicContact CB-CB 4.13Å; P167-L204 HydrophobicContact CB-CD2 4Å; P167-L204 HydrophobicContact CB-CG 4.42Å; P167-L204 HydrophobicContact CG-CD2 3.77Å; P167-L204 HydrophobicContact CG-CG 4.35Å
168	G	91.6	Very high	91.3	Very high	19 Å²	19	21.6 Å²	21.6	20%	0.196	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-35.8	-179.6	0	0	0	0	0	113.9	T166	T166-G168 VanDerWaalsContact C-N 3.34Å; T166-G168 PolarHBondContact O-N 3.31Å
169	R	92.4	Very high	91.2	Very high	31 Å²	31	16.1 Å²	16.1	12%	0.117	9%	0.09	C	C	.	.	H	α-helix	trans	-82.4	-42.2	176.5	-175.5	68.5	168.3	-132.3	-19	111.6	I143 L144 D147 K148 M149 T166 P167 L171 H172 V173	I143-R169 HydrophobicContact CG2-CB 4.32Å; I143-R169 HydrophobicContact CG2-CG 3.65Å; L144-R169 VanDerWaalsContact C-CG 3.46Å; L144-R169 WeakPolarHBondContact O-CG 3.5Å; D147-R169 PolarHBondContact O-NH1 3.42Å; D147-R169 PolarHBondContact O-NH2 2.98Å; K148-R169 PolarHBondContact O-NH2 3.31Å; M149-R169 PolarHBondContact SD-NE 2.86Å; M149-R169 PolarHBondContact SD-NH2 3.37Å; M149-R169 VanDerWaalsContact SD-NH2 3.44Å; T166-R169 PolarHBondContact O-N 3.41Å; P167-R169 PolarHBondContact O-N 3.24Å; R169-L171 VanDerWaalsContact C-N 3.33Å; R169-L171 PolarHBondContact O-N 3.45Å; R169-H172 WeakPolarHBondContact O-CB 3.34Å; R169-H172 PolarHBondContact O-N 3.09Å; R169-V173 HydrophobicContact CG-CG2 4.3Å; R169-V173 PolarHBondContact O-N 2.84Å
170	F	94.4	Very high	91.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-52.4	-55.1	179.6	-172.5	-128.2	0	0	0	110.5	L113 M115 I143 I163 A165 T166 P167 H172 V173 L174 L181 T207	L113-F170 HydrophobicContact CD1-CD1 4.24Å; L113-F170 HydrophobicContact CD1-CD2 4.42Å; L113-F170 HydrophobicContact CD1-CE1 3.67Å; L113-F170 HydrophobicContact CD1-CE2 3.91Å; L113-F170 HydrophobicContact CD1-CZ 3.48Å; L113-F170 VanDerWaalsContact CD1-CZ 3.48Å; L113-F170 HydrophobicContact CD2-CD1 4.33Å; L113-F170 HydrophobicContact CD2-CE1 3.48Å; L113-F170 VanDerWaalsContact CD2-CE1 3.48Å; L113-F170 HydrophobicContact CD2-CZ 3.89Å; L113-F170 HydrophobicContact CG-CE1 4.23Å; L113-F170 HydrophobicContact CG-CZ 4.34Å; M115-F170 HydrophobicContact CE-CB 4.17Å; M115-F170 HydrophobicContact CE-CD1 3.8Å; M115-F170 HydrophobicContact CE-CG 4.31Å; M115-F170 HydrophobicContact SD-CD1 3.94Å; M115-F170 HydrophobicContact SD-CE1 4.39Å; M115-F170 HydrophobicContact SD-CG 4.41Å; I143-F170 HydrophobicContact CD1-CD2 4Å; I143-F170 HydrophobicContact CD1-CE2 4.27Å; I163-F170 HydrophobicContact CD1-CE2 4.18Å; I163-F170 HydrophobicContact CG2-CD2 4.16Å; I163-F170 HydrophobicContact CG2-CE2 3.82Å; A165-F170 HydrophobicContact CB-CB 3.72Å; A165-F170 HydrophobicContact CB-CD2 3.87Å; A165-F170 HydrophobicContact CB-CG 3.92Å; T166-F170 WeakPolarHBondContact O-CB 3.33Å; T166-F170 PolarHBondContact O-N 3.28Å; P167-F170 PolarHBondContact O-N 3.14Å; F170-H172 PolarHBondContact O-N 3.32Å; F170-V173 PolarHBondContact O-N 2.8Å; F170-L174 HydrophobicContact CD1-CD1 3.93Å; F170-L174 HydrophobicContact CD1-CG 4.32Å; F170-L174 HydrophobicContact CD2-CD2 4.48Å; F170-L174 HydrophobicContact CD2-CG 4.45Å; F170-L174 HydrophobicContact CE1-CD1 3.7Å; F170-L174 HydrophobicContact CE1-CD2 4.24Å; F170-L174 HydrophobicContact CE1-CG 4.17Å; F170-L174 HydrophobicContact CE2-CD2 3.87Å; F170-L174 HydrophobicContact CE2-CG 4.27Å; F170-L174 HydrophobicContact CG-CG 4.47Å; F170-L174 HydrophobicContact CZ-CD1 4.1Å; F170-L174 HydrophobicContact CZ-CD2 3.75Å; F170-L174 HydrophobicContact CZ-CG 4.15Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 3.35Å; F170-L181 HydrophobicContact CE1-CD1 4.04Å; F170-L181 HydrophobicContact CZ-CD1 3.97Å; F170-L181 HydrophobicContact CZ-CD2 4.13Å; F170-T207 HydrophobicContact CD1-CG2 3.85Å; F170-T207 HydrophobicContact CE1-CG2 3.63Å
171	L	92.2	Very high	91	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-29.3	-180	179.9	58.6	0	0	0	113.6	P167 R169 L174 M175 Q203 E206 I679	P167-L171 WeakPolarHBondContact O-CB 3.45Å; P167-L171 PolarHBondContact O-N 3.05Å; P167-L171 VanDerWaalsContact O-N 3.12Å; R169-L171 VanDerWaalsContact C-N 3.33Å; R169-L171 PolarHBondContact O-N 3.45Å; L171-L174 HydrophobicContact CD1-CD1 4.44Å; L171-M175 HydrophobicContact CD1-CE 3.81Å; L171-M175 HydrophobicContact CD2-CE 4.17Å; L171-M175 HydrophobicContact CG-CE 3.55Å; L171-M175 WeakPolarHBondContact O-CE 3.49Å; L171-M175 PolarHBondContact O-N 3.23Å; L171-M175 VanDerWaalsContact O-N 3.13Å; L171-Q203 HydrophobicContact CD2-CB 3.76Å; L171-Q203 HydrophobicContact CD2-CG 3.81Å; L171-E206 HydrophobicContact CD1-CB 4.38Å; L171-E206 HydrophobicContact CD1-CG 3.64Å; L171-E206 HydrophobicContact CD2-CB 4.17Å; L171-E206 HydrophobicContact CD2-CG 4.15Å; L171-I679 HydrophobicContact CD2-CD1 4.33Å
172	H	91	Very high	90.7	Very high	30 Å²	30	25.6 Å²	25.6	14%	0.139	13%	0.134	C	C	.	.	H	α-helix	trans	-68.7	-46.6	172.7	-171.4	-173.2	0	0	0	112.1	R169 F170 L174 M175 E176 Y683	R169-H172 WeakPolarHBondContact O-CB 3.34Å; R169-H172 PolarHBondContact O-N 3.09Å; F170-H172 PolarHBondContact O-N 3.32Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 3.03Å; H172-M175 PolarHBondContact O-N 3.05Å; H172-E176 IonicContact NE2-OE1 3.87Å; H172-E176 PolarHBondContact O-N 3.34Å; H172-Y683 HydrophobicContact CB-CD1 3.6Å; H172-Y683 HydrophobicContact CB-CE1 3.93Å; H172-Y683 PolarHBondContact CD2-O 2.91Å; H172-Y683 AromaticContact CG-CD1 3.92Å
173	V	91.2	Very high	90.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-38.1	176.8	178.6	0	0	0	0	110.7	I143 M149 F153 L156 R169 F170 M175 E176 M177	I143-V173 HydrophobicContact CG2-CB 4.34Å; I143-V173 HydrophobicContact CG2-CG2 3.85Å; M149-V173 HydrophobicContact CE-CG2 4Å; F153-V173 HydrophobicContact CD1-CG1 4.33Å; F153-V173 HydrophobicContact CE1-CG1 4.31Å; L156-V173 HydrophobicContact CD1-CG1 3.38Å; R169-V173 HydrophobicContact CG-CG2 4.3Å; R169-V173 PolarHBondContact O-N 2.84Å; F170-V173 PolarHBondContact O-N 2.8Å; V173-M175 PolarHBondContact O-N 3.44Å; V173-E176 PolarHBondContact O-N 2.76Å; V173-M177 HydrophobicContact CG1-CG 4.18Å; V173-M177 HydrophobicContact CG1-SD 3.59Å; V173-M177 VanDerWaalsContact CG1-SD 3.59Å; V173-M177 WeakPolarHBondContact O-CB 3.5Å; V173-M177 WeakPolarHBondContact O-CG 3.47Å; V173-M177 PolarHBondContact O-N 2.77Å
174	L	90.1	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-41.1	172.5	-65.1	-175.6	0	0	0	113.3	F170 L171 H172 N178 L179 L181	F170-L174 HydrophobicContact CD1-CD1 3.93Å; F170-L174 HydrophobicContact CD1-CG 4.32Å; F170-L174 HydrophobicContact CD2-CD2 4.48Å; F170-L174 HydrophobicContact CD2-CG 4.45Å; F170-L174 HydrophobicContact CE1-CD1 3.7Å; F170-L174 HydrophobicContact CE1-CD2 4.24Å; F170-L174 HydrophobicContact CE1-CG 4.17Å; F170-L174 HydrophobicContact CE2-CD2 3.87Å; F170-L174 HydrophobicContact CE2-CG 4.27Å; F170-L174 HydrophobicContact CG-CG 4.47Å; F170-L174 HydrophobicContact CZ-CD1 4.1Å; F170-L174 HydrophobicContact CZ-CD2 3.75Å; F170-L174 HydrophobicContact CZ-CG 4.15Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 3.35Å; L171-L174 HydrophobicContact CD1-CD1 4.44Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 3.03Å; L174-N178 WeakPolarHBondContact O-CA 3.22Å; L174-N178 PolarHBondContact O-N 3.34Å; L174-L179 HydrophobicContact CD2-CB 3.98Å; L174-L179 HydrophobicContact CD2-CD2 3.99Å; L174-L179 HydrophobicContact CD2-CG 4.47Å; L174-L179 PolarHBondContact O-N 3.01Å; L174-L181 HydrophobicContact CD1-CD1 3.77Å; L174-L181 HydrophobicContact CD2-CD1 3.92Å; L174-L181 HydrophobicContact CD2-CD2 3.7Å; L174-L181 HydrophobicContact CD2-CG 3.96Å
175	M	87.3	Confident	90.2	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-79.9	-28.1	-179.9	-86.2	-172.5	-84.7	0	0	114.3	L171 H172 V173 N178 T673 I679 Y683	L171-M175 HydrophobicContact CD1-CE 3.81Å; L171-M175 HydrophobicContact CD2-CE 4.17Å; L171-M175 HydrophobicContact CG-CE 3.55Å; L171-M175 WeakPolarHBondContact O-CE 3.49Å; L171-M175 PolarHBondContact O-N 3.23Å; L171-M175 VanDerWaalsContact O-N 3.13Å; H172-M175 PolarHBondContact O-N 3.05Å; V173-M175 PolarHBondContact O-N 3.44Å; M175-N178 PolarHBondContact O-OD1 3.33Å; M175-T673 HydrophobicContact SD-CG2 4.1Å; M175-I679 HydrophobicContact CE-CD1 4.24Å; M175-I679 HydrophobicContact CE-CG2 3.81Å; M175-I679 HydrophobicContact SD-CG2 4.34Å; M175-Y683 HydrophobicContact CE-CD1 3.65Å; M175-Y683 HydrophobicContact CE-CD2 4.11Å; M175-Y683 HydrophobicContact CE-CE1 4.33Å; M175-Y683 HydrophobicContact CE-CG 3.49Å; M175-Y683 VanDerWaalsContact CE-CG 3.49Å
176	E	86.8	Confident	90.1	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-75.1	-44.1	173.9	-79.5	-78.4	173.6	0	0	111.5	M149 F153 H172 V173 T685 D686 K687 Y688	M149-E176 HydrophobicContact CE-CB 4.4Å; M149-E176 HydrophobicContact CE-CG 4.01Å; F153-E176 HydrophobicContact CE1-CB 4.07Å; F153-E176 HydrophobicContact CZ-CB 3.99Å; F153-E176 HydrophobicContact CZ-CG 4.46Å; H172-E176 IonicContact NE2-OE1 3.87Å; H172-E176 PolarHBondContact O-N 3.34Å; V173-E176 PolarHBondContact O-N 2.76Å; E176-T685 VanDerWaalsContact OE1-CA 3.26Å; E176-T685 WeakPolarHBondContact OE1-CA 3.49Å; E176-T685 WeakPolarHBondContact OE1-CB 3.33Å; E176-T685 PolarHBondContact OE1-N 3.48Å; E176-T685 PolarHBondContact OE1-OG1 2.68Å; E176-D686 PolarHBondContact OE1-N 3.48Å; E176-D686 PolarHBondContact OE2-N 3.11Å; E176-K687 PolarHBondContact OE2-N 3.07Å; E176-Y688 WeakPolarHBondContact O-CB 3.39Å; E176-Y688 PolarHBondContact OE2-N 3.16Å
177	M	85.3	Confident	90.1	Very high	22 Å²	22	30.4 Å²	30.4	11%	0.108	16%	0.159	C	C	.	.	H	α-helix	trans	-85.6	-17.6	-178	-63.3	-177	78.3	0	0	114.2	F153 L156 V173 L179 Y688	F153-M177 HydrophobicContact CD1-CG 3.67Å; F153-M177 HydrophobicContact CD1-SD 3.61Å; F153-M177 HydrophobicContact CE1-CG 3.74Å; F153-M177 HydrophobicContact CE1-SD 4.21Å; L156-M177 HydrophobicContact CB-CE 4.01Å; L156-M177 HydrophobicContact CB-SD 4.21Å; L156-M177 HydrophobicContact CD1-CE 4.29Å; L156-M177 HydrophobicContact CD1-SD 3.43Å; L156-M177 WeakPolarHBondContact CD1-SD 3.3Å; L156-M177 HydrophobicContact CG-SD 4.49Å; V173-M177 HydrophobicContact CG1-CG 4.18Å; V173-M177 HydrophobicContact CG1-SD 3.59Å; V173-M177 VanDerWaalsContact CG1-SD 3.59Å; V173-M177 WeakPolarHBondContact O-CB 3.5Å; V173-M177 WeakPolarHBondContact O-CG 3.47Å; V173-M177 PolarHBondContact O-N 2.77Å; M177-L179 HydrophobicContact CB-CB 4.18Å; M177-L179 PolarHBondContact O-N 2.81Å; M177-Y688 HydrophobicContact CB-CD1 4.17Å; M177-Y688 HydrophobicContact CB-CE1 4.14Å; M177-Y688 HydrophobicContact CB-CG 4.37Å; M177-Y688 HydrophobicContact CE-CD2 4.3Å; M177-Y688 HydrophobicContact CE-CE2 3.56Å; M177-Y688 HydrophobicContact CG-CD1 4.11Å; M177-Y688 HydrophobicContact CG-CD2 3.71Å; M177-Y688 HydrophobicContact CG-CE1 4.22Å; M177-Y688 HydrophobicContact CG-CE2 3.87Å; M177-Y688 HydrophobicContact CG-CG 3.83Å; M177-Y688 HydrophobicContact SD-CE2 4.38Å
178	N	83.9	Confident	90.2	Very high	93 Å²	93	30.4 Å²	30.4	50%	0.497	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	41.9	-161.1	-80.1	1.4	0	0	0	111.8	L174 M175 S180	L174-N178 WeakPolarHBondContact O-CA 3.22Å; L174-N178 PolarHBondContact O-N 3.34Å; M175-N178 PolarHBondContact O-OD1 3.33Å; N178-S180 PolarHBondContact O-N 3.28Å
179	L	84.9	Confident	90.3	Very high	44 Å²	44	29.7 Å²	29.7	23%	0.23	15%	0.151	C	C	.	.			trans	-63	122.2	-175.3	-174.5	73.1	0	0	0	110.8	L156 I163 L174 M177 L181	L156-L179 HydrophobicContact CD1-CD2 4.21Å; L156-L179 HydrophobicContact CD2-CD2 4.06Å; I163-L179 HydrophobicContact CD1-CD2 4.49Å; L174-L179 HydrophobicContact CD2-CB 3.98Å; L174-L179 HydrophobicContact CD2-CD2 3.99Å; L174-L179 HydrophobicContact CD2-CG 4.47Å; L174-L179 PolarHBondContact O-N 3.01Å; M177-L179 HydrophobicContact CB-CB 4.18Å; M177-L179 PolarHBondContact O-N 2.81Å; L179-L181 HydrophobicContact CD2-CD2 4.03Å; L179-L181 HydrophobicContact CG-CD2 4.31Å; L179-L181 PolarHBondContact O-N 3.03Å
180	S	86.1	Confident	90.2	Very high	69 Å²	69	28.3 Å²	28.3	48%	0.483	15%	0.146	S	C	.	.			trans	-67.9	127.6	172.9	179.9	0	0	0	0	110.4	N178 K182	N178-S180 PolarHBondContact O-N 3.28Å; S180-K182 WeakPolarHBondContact OG-CG 3.33Å
181	L	90.1	Very high	89.8	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	15%	0.152	C	C	.	.			trans	-104	11.4	177.1	-64.7	-165.3	0	0	0	113.4	F170 L174 L179 S183 I184 R210 L211 P212	F170-L181 HydrophobicContact CE1-CD1 4.04Å; F170-L181 HydrophobicContact CZ-CD1 3.97Å; F170-L181 HydrophobicContact CZ-CD2 4.13Å; L174-L181 HydrophobicContact CD1-CD1 3.77Å; L174-L181 HydrophobicContact CD2-CD1 3.92Å; L174-L181 HydrophobicContact CD2-CD2 3.7Å; L174-L181 HydrophobicContact CD2-CG 3.96Å; L179-L181 HydrophobicContact CD2-CD2 4.03Å; L179-L181 HydrophobicContact CG-CD2 4.31Å; L179-L181 PolarHBondContact O-N 3.03Å; L181-S183 PolarHBondContact O-N 3.1Å; L181-S183 VanDerWaalsContact O-N 3.14Å; L181-I184 HydrophobicContact CB-CD1 4.06Å; L181-I184 HydrophobicContact CD1-CD1 4.29Å; L181-I184 HydrophobicContact CD2-CD1 3.75Å; L181-I184 HydrophobicContact CG-CD1 4.24Å; L181-I184 PolarHBondContact O-N 3.42Å; L181-I184 VanDerWaalsContact O-N 3.15Å; L181-R210 HydrophobicContact CD1-CB 4.45Å; L181-L211 HydrophobicContact CB-CD2 4.2Å; L181-L211 HydrophobicContact CD1-CD2 4.12Å; L181-L211 HydrophobicContact CD1-CG 4.3Å; L181-P212 VanDerWaalsContact O-CD 3.3Å; L181-P212 WeakPolarHBondContact O-CD 3.5Å
182	K	87.8	Confident	89.6	Confident	172 Å²	172	29.6 Å²	29.6	75%	0.748	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	-172.7	-66.6	-179.2	-178	-177.7	0	114.3	S180	S180-K182 WeakPolarHBondContact OG-CG 3.33Å
183	S	90.2	Very high	89.3	Confident	32 Å²	32	28.4 Å²	28.4	22%	0.224	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.2	-180	41.8	0	0	0	0	114.8	P110 R111 L181 E185	P110-S183 CarbonylContact O-C 3.51Å; P110-S183 VanDerWaalsContact O-C 3.3Å; P110-S183 WeakPolarHBondContact O-CB 3.32Å; P110-S183 PolarHBondContact O-OG 2.91Å; R111-S183 WeakPolarHBondContact CA-O 3.34Å; L181-S183 PolarHBondContact O-N 3.1Å; L181-S183 VanDerWaalsContact O-N 3.14Å; S183-E185 PolarHBondContact O-N 3.03Å
184	I	93.3	Very high	88.9	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.148	C	C	.	.			trans	-80.5	114	-177	-65	173.2	0	0	0	111.1	P110 R111 L113 L181 V187 L211 P212	P110-I184 HydrophobicContact CB-CG1 4.36Å; P110-I184 HydrophobicContact CG-CD1 4.37Å; P110-I184 HydrophobicContact CG-CG1 4.31Å; P110-I184 WeakPolarHBondContact O-CG1 3.49Å; P110-I184 PolarHBondContact O-N 3.48Å; R111-I184 WeakPolarHBondContact O-CA 3.44Å; L113-I184 HydrophobicContact CB-CD1 4.07Å; L113-I184 HydrophobicContact CB-CG2 4.16Å; L113-I184 HydrophobicContact CD2-CD1 4.42Å; L181-I184 HydrophobicContact CB-CD1 4.06Å; L181-I184 HydrophobicContact CD1-CD1 4.29Å; L181-I184 HydrophobicContact CD2-CD1 3.75Å; L181-I184 HydrophobicContact CG-CD1 4.24Å; L181-I184 PolarHBondContact O-N 3.42Å; L181-I184 VanDerWaalsContact O-N 3.15Å; I184-V187 HydrophobicContact CG2-CG2 3.67Å; I184-L211 HydrophobicContact CB-CD2 3.69Å; I184-L211 HydrophobicContact CD1-CD2 3.66Å; I184-L211 HydrophobicContact CG1-CD2 4.24Å; I184-L211 HydrophobicContact CG2-CD2 3.67Å; I184-P212 WeakPolarHBondContact O-CG 3.21Å
185	E	92.5	Very high	88.8	Confident	86 Å²	86	29 Å²	29	40%	0.402	15%	0.149	S	C	.	.			trans	-105.7	-8.3	178.9	-61.5	170.7	-154.6	0	0	113.5	K101 F102 R111 S183 Q216	K101-E185 WeakPolarHBondContact CE-OE2 3.3Å; K101-E185 PolarHBondContact NZ-O 3.36Å; K101-E185 VanDerWaalsContact NZ-O 3.1Å; K101-E185 IonicContact NZ-OE2 3.61Å; F102-E185 HydrophobicContact CZ-CB 4.19Å; R111-E185 PolarHBondContact O-N 2.83Å; S183-E185 PolarHBondContact O-N 3.03Å; E185-Q216 PolarHBondContact O-N 2.81Å
186	Y	93.6	Very high	88.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	118.5	-173.8	-165.2	-98	0	0	0	111.2	I74 F94 L98 K101 R111 A112 L113 V188 Q216 L218	I74-Y186 HydrophobicContact CG2-CE2 3.86Å; F94-Y186 PolarHBondContact O-OH 3.13Å; L98-Y186 HydrophobicContact CB-CD1 4.24Å; L98-Y186 HydrophobicContact CB-CE1 3.77Å; L98-Y186 HydrophobicContact CD1-CD1 3.88Å; L98-Y186 HydrophobicContact CD1-CE1 3.9Å; L98-Y186 HydrophobicContact CG-CD1 4.11Å; L98-Y186 HydrophobicContact CG-CE1 4.12Å; K101-Y186 HydrophobicContact CD-CD2 4.2Å; R111-Y186 PolarHBondContact O-N 2.97Å; A112-Y186 CarbonylContact C-O 3.6Å; A112-Y186 VanDerWaalsContact CA-O 3.3Å; A112-Y186 WeakPolarHBondContact CA-O 3.39Å; A112-Y186 HydrophobicContact CB-CD1 4.43Å; L113-Y186 PolarHBondContact N-O 3Å; Y186-V188 HydrophobicContact CD1-CG2 3.93Å; Y186-V188 HydrophobicContact CE1-CG2 3.51Å; Y186-Q216 CarbonylContact C-O 3.29Å; Y186-Q216 WeakPolarHBondContact CA-O 3.15Å; Y186-Q216 HydrophobicContact CD2-CB 4.26Å; Y186-Q216 HydrophobicContact CD2-CG 4.37Å; Y186-L218 HydrophobicContact CE1-CD1 4.03Å; Y186-L218 HydrophobicContact CE2-CD1 3.75Å; Y186-L218 WeakPolarHBondContact OH-CD1 3.37Å
187	V	94.7	Very high	88.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.4	-176.5	-178.9	0	0	0	0	110.1	L113 I184 F189 L211 Q216 T217 L218	L113-V187 CarbonylContact O-C 3.49Å; L113-V187 WeakPolarHBondContact O-CA 3.26Å; I184-V187 HydrophobicContact CG2-CG2 3.67Å; V187-F189 HydrophobicContact CG1-CD2 4.4Å; V187-F189 HydrophobicContact CG1-CE1 4.32Å; V187-F189 HydrophobicContact CG1-CE2 3.73Å; V187-F189 HydrophobicContact CG1-CZ 3.67Å; V187-L211 HydrophobicContact CG2-CD1 4.01Å; V187-L211 HydrophobicContact CG2-CD2 4.23Å; V187-Q216 PolarHBondContact N-O 2.81Å; V187-T217 HydrophobicContact CB-CG2 4.2Å; V187-T217 HydrophobicContact CG1-CG2 4.27Å; V187-T217 CarbonylContact O-C 3.47Å; V187-T217 WeakPolarHBondContact O-CA 3.31Å; V187-L218 PolarHBondContact O-N 3.38Å
188	V	94.1	Very high	88.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.1	178	-173.5	0	0	0	0	110.1	F94 L113 I114 M115 Y186 L218 F220	F94-V188 HydrophobicContact CB-CG1 4.28Å; F94-V188 HydrophobicContact CB-CG2 4.23Å; F94-V188 HydrophobicContact CD1-CG1 3.83Å; F94-V188 HydrophobicContact CD2-CG1 3.97Å; F94-V188 HydrophobicContact CD2-CG2 4.1Å; F94-V188 HydrophobicContact CE1-CG1 4.03Å; F94-V188 HydrophobicContact CE2-CG1 4.19Å; F94-V188 HydrophobicContact CG-CG1 3.79Å; F94-V188 HydrophobicContact CG-CG2 4.28Å; F94-V188 HydrophobicContact CZ-CG1 4.21Å; L113-V188 PolarHBondContact O-N 2.88Å; I114-V188 HydrophobicContact CB-CB 4.46Å; I114-V188 HydrophobicContact CG1-CB 4.18Å; I114-V188 HydrophobicContact CG1-CG2 4.24Å; I114-V188 HydrophobicContact CG2-CB 4.25Å; I114-V188 HydrophobicContact CG2-CG1 4.49Å; M115-V188 PolarHBondContact N-O 2.95Å; Y186-V188 HydrophobicContact CD1-CG2 3.93Å; Y186-V188 HydrophobicContact CE1-CG2 3.51Å; V188-L218 CarbonylContact C-O 3.58Å; V188-L218 WeakPolarHBondContact CA-O 3.43Å; V188-L218 HydrophobicContact CG2-CD1 4.21Å; V188-F220 HydrophobicContact CG1-CD2 3.98Å; V188-F220 HydrophobicContact CG1-CE2 4.29Å
189	F	93.8	Very high	88.3	Confident	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	100.7	166.9	-60	-72.1	0	0	0	108.7	M115 V187 L195 L204 L208 T217 L218 I219 F220 F231	M115-F189 HydrophobicContact CB-CD1 3.72Å; M115-F189 HydrophobicContact CB-CE1 4.02Å; M115-F189 HydrophobicContact CG-CD1 4Å; M115-F189 HydrophobicContact CG-CE1 3.78Å; V187-F189 HydrophobicContact CG1-CD2 4.4Å; V187-F189 HydrophobicContact CG1-CE1 4.32Å; V187-F189 HydrophobicContact CG1-CE2 3.73Å; V187-F189 HydrophobicContact CG1-CZ 3.67Å; F189-L195 HydrophobicContact CB-CD1 4.05Å; F189-L195 HydrophobicContact CD1-CD1 4.17Å; F189-L204 HydrophobicContact CD1-CD2 4.02Å; F189-L204 HydrophobicContact CE1-CD2 3.69Å; F189-L208 HydrophobicContact CE2-CD2 4.23Å; F189-L208 HydrophobicContact CZ-CD2 3.79Å; F189-L208 HydrophobicContact CZ-CG 4.41Å; F189-T217 HydrophobicContact CD2-CG2 4.04Å; F189-T217 HydrophobicContact CE2-CG2 3.57Å; F189-L218 PolarHBondContact N-O 2.8Å; F189-I219 HydrophobicContact CB-CG1 4.35Å; F189-I219 HydrophobicContact CD2-CG1 3.94Å; F189-F220 PolarHBondContact O-N 3.44Å; F189-F231 HydrophobicContact CD2-CE1 4.28Å; F189-F231 HydrophobicContact CE1-CZ 4.47Å; F189-F231 HydrophobicContact CE2-CE1 4.07Å; F189-F231 HydrophobicContact CE2-CZ 4.26Å; F189-F231 HydrophobicContact CZ-CE1 4.33Å; F189-F231 HydrophobicContact CZ-CZ 4.09Å
190	D	90.8	Very high	88.4	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.5	175.4	-171	23.9	0	0	0	110.9	K90 F94 M115 P117	K90-D190 IonicContact NZ-OD1 2.73Å; K90-D190 PolarHBondContact NZ-OD1 3.04Å; F94-D190 HydrophobicContact CE1-CB 4.29Å; F94-D190 HydrophobicContact CZ-CB 4.42Å; M115-D190 PolarHBondContact O-N 2.73Å; P117-D190 WeakPolarHBondContact CD-O 3.48Å
191	E	86.8	Confident	88.4	Confident	27 Å²	27	30.8 Å²	30.8	13%	0.126	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	58.4	-167.4	-64.5	-170.2	176.1	0	0	111.9	T86 P117 L121 D193 R194 L195 F220	T86-E191 VanDerWaalsContact CG2-OE1 3.25Å; T86-E191 WeakPolarHBondContact CG2-OE1 3.26Å; P117-E191 HydrophobicContact CG-CB 3.89Å; L121-E191 HydrophobicContact CD2-CB 4.36Å; L121-E191 HydrophobicContact CD2-CG 3.98Å; E191-D193 PolarHBondContact O-N 2.6Å; E191-R194 HydrophobicContact CB-CB 4.07Å; E191-R194 WeakPolarHBondContact O-CB 3.44Å; E191-R194 PolarHBondContact O-N 3.26Å; E191-R194 VanDerWaalsContact O-N 3.07Å; E191-R194 VanDerWaalsContact OE2-CD 3.25Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-R194 IonicContact OE2-CZ 3.23Å; E191-R194 IonicContact OE2-NE 2.7Å; E191-R194 IonicContact OE2-NH1 3.74Å; E191-R194 PolarHBondContact OE2-NH1 2.74Å; E191-L195 PolarHBondContact O-N 3.05Å; E191-L195 VanDerWaalsContact O-N 3.08Å; E191-F220 VanDerWaalsContact CA-O 3.28Å; E191-F220 WeakPolarHBondContact CA-O 3.41Å; E191-F220 PolarHBondContact N-O 3.04Å
192	G	86.6	Confident	88.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-46.4	-54.5	179.4	0	0	0	0	0	113.4	R194 L195 F196 F220	G192-R194 VanDerWaalsContact C-N 3.28Å; G192-R194 PolarHBondContact O-N 3.05Å; G192-L195 WeakPolarHBondContact O-CB 3.42Å; G192-L195 PolarHBondContact O-N 3.17Å; G192-L195 VanDerWaalsContact O-N 3.16Å; G192-F196 VanDerWaalsContact O-CD2 3.32Å; G192-F196 WeakPolarHBondContact O-CD2 3.29Å; G192-F196 PolarHBondContact O-N 3.01Å; G192-F220 PolarHBondContact N-O 3.09Å
193	D	85.1	Confident	88.4	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-45.5	177.6	46.9	8.6	0	0	0	112.8	E191 L195 F196 E197 S221 A222 T223 P225 L228	E191-D193 PolarHBondContact O-N 2.6Å; D193-L195 PolarHBondContact O-N 3.03Å; D193-F196 PolarHBondContact O-N 3.28Å; D193-F196 VanDerWaalsContact O-N 3.12Å; D193-E197 PolarHBondContact O-N 3.12Å; D193-S221 VanDerWaalsContact CB-OG 3.26Å; D193-S221 WeakPolarHBondContact CB-OG 3.46Å; D193-S221 PolarHBondContact N-OG 2.7Å; D193-S221 PolarHBondContact OD1-OG 3.34Å; D193-S221 PolarHBondContact OD2-OG 3.39Å; D193-A222 PolarHBondContact OD2-N 3.24Å; D193-T223 WeakPolarHBondContact CB-OG1 3.43Å; D193-T223 WeakPolarHBondContact OD2-CB 3.41Å; D193-T223 PolarHBondContact OD2-N 2.91Å; D193-T223 PolarHBondContact OD2-OG1 3.16Å; D193-P225 HydrophobicContact CB-CG 4.19Å; D193-L228 HydrophobicContact CB-CD2 4.43Å
194	R	83.7	Confident	88.4	Confident	12 Å²	12	29.1 Å²	29.1	5%	0.045	16%	0.156	C	C	.	.	H	α-helix	trans	-70.7	-27.7	-177.9	-169.8	173.4	158.5	-138.1	-14.9	113.9	P117 T118 E191 G192 F196 E197 L198 R343 G344	P117-R194 HydrophobicContact CB-CB 4.42Å; P117-R194 HydrophobicContact CB-CG 4.11Å; P117-R194 HydrophobicContact CG-CB 4.27Å; P117-R194 HydrophobicContact CG-CG 4.19Å; T118-R194 PolarHBondContact OG1-NH2 3.46Å; E191-R194 HydrophobicContact CB-CB 4.07Å; E191-R194 WeakPolarHBondContact O-CB 3.44Å; E191-R194 PolarHBondContact O-N 3.26Å; E191-R194 VanDerWaalsContact O-N 3.07Å; E191-R194 VanDerWaalsContact OE2-CD 3.25Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-R194 IonicContact OE2-CZ 3.23Å; E191-R194 IonicContact OE2-NE 2.7Å; E191-R194 IonicContact OE2-NH1 3.74Å; E191-R194 PolarHBondContact OE2-NH1 2.74Å; G192-R194 VanDerWaalsContact C-N 3.28Å; G192-R194 PolarHBondContact O-N 3.05Å; R194-F196 VanDerWaalsContact C-N 3.25Å; R194-F196 PolarHBondContact O-N 2.95Å; R194-E197 PolarHBondContact O-N 3.39Å; R194-L198 HydrophobicContact CG-CD1 4.34Å; R194-L198 HydrophobicContact CG-CG 4.49Å; R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.09Å; R194-R343 VanDerWaalsContact CZ-C 3.49Å; R194-R343 PolarHBondContact NH2-O 2.95Å; R194-G344 VanDerWaalsContact CZ-N 3.34Å
195	L	87.8	Confident	88.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-39.1	169.4	-73.1	161.9	0	0	0	111.1	P117 P167 F189 E191 G192 D193 F200 L204	P117-L195 HydrophobicContact CB-CD2 3.94Å; P117-L195 HydrophobicContact CB-CG 4.11Å; P167-L195 HydrophobicContact CG-CD2 3.52Å; F189-L195 HydrophobicContact CB-CD1 4.05Å; F189-L195 HydrophobicContact CD1-CD1 4.17Å; E191-L195 PolarHBondContact O-N 3.05Å; E191-L195 VanDerWaalsContact O-N 3.08Å; G192-L195 WeakPolarHBondContact O-CB 3.42Å; G192-L195 PolarHBondContact O-N 3.17Å; G192-L195 VanDerWaalsContact O-N 3.16Å; D193-L195 PolarHBondContact O-N 3.03Å; L195-F200 HydrophobicContact CD2-CD2 4.27Å; L195-F200 WeakPolarHBondContact O-CB 3.37Å; L195-F200 PolarHBondContact O-N 2.88Å; L195-L204 HydrophobicContact CB-CD1 3.94Å; L195-L204 HydrophobicContact CD1-CD1 4.32Å
196	F	85.9	Confident	87.9	Confident	29 Å²	29	27.5 Å²	27.5	13%	0.127	15%	0.154	C	C	.	.	H	α-helix	trans	-77.7	-38	175.5	-71	-91	0	0	0	112.7	G192 D193 R194 L198 G199 A201 L204 N227 L228 F231	G192-F196 VanDerWaalsContact O-CD2 3.32Å; G192-F196 WeakPolarHBondContact O-CD2 3.29Å; G192-F196 PolarHBondContact O-N 3.01Å; D193-F196 PolarHBondContact O-N 3.28Å; D193-F196 VanDerWaalsContact O-N 3.12Å; R194-F196 VanDerWaalsContact C-N 3.25Å; R194-F196 PolarHBondContact O-N 2.95Å; F196-L198 PolarHBondContact O-N 3.44Å; F196-G199 PolarHBondContact O-N 3.42Å; F196-A201 HydrophobicContact CD1-CB 3.74Å; F196-A201 HydrophobicContact CE1-CB 3.61Å; F196-L204 HydrophobicContact CE2-CD1 4.02Å; F196-L204 HydrophobicContact CZ-CD1 4.05Å; F196-N227 HydrophobicContact CD1-CB 4.24Å; F196-L228 HydrophobicContact CD2-CB 4.29Å; F196-L228 HydrophobicContact CD2-CD1 3.73Å; F196-L228 HydrophobicContact CE2-CD1 3.51Å; F196-L228 HydrophobicContact CZ-CD1 4.5Å; F196-F231 HydrophobicContact CE1-CB 4.05Å; F196-F231 HydrophobicContact CE1-CD2 4.27Å; F196-F231 HydrophobicContact CE1-CG 4.2Å; F196-F231 HydrophobicContact CE2-CB 4.29Å; F196-F231 AromaticContact CE2-CD1 3.99Å; F196-F231 HydrophobicContact CE2-CD1 3.99Å; F196-F231 HydrophobicContact CE2-CE1 4.42Å; F196-F231 HydrophobicContact CE2-CG 4.09Å; F196-F231 HydrophobicContact CZ-CB 3.56Å; F196-F231 AromaticContact CZ-CD1 3.72Å; F196-F231 HydrophobicContact CZ-CD1 3.72Å; F196-F231 AromaticContact CZ-CD2 3.61Å; F196-F231 HydrophobicContact CZ-CD2 3.61Å; F196-F231 HydrophobicContact CZ-CE1 4.22Å; F196-F231 HydrophobicContact CZ-CE2 4.11Å; F196-F231 AromaticContact CZ-CG 3.36Å; F196-F231 HydrophobicContact CZ-CG 3.36Å; F196-F231 HydrophobicContact CZ-CZ 4.39Å
197	E	81.4	Confident	87.7	Confident	76 Å²	76	27.6 Å²	27.6	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-57.7	-34	173.6	-69.9	-175.7	169.6	0	0	112.9	D193 R194 G199 R343	D193-E197 PolarHBondContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.39Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-R343 IonicContact OE2-CZ 3.66Å; E197-R343 IonicContact OE2-NE 2.76Å; E197-R343 IonicContact OE2-NH2 3.85Å; E197-R343 PolarHBondContact OE2-NH2 2.88Å
198	L	81.4	Confident	87.4	Confident	64 Å²	64	28.7 Å²	28.7	34%	0.335	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.4	177	-65	176.7	0	0	0	113.6	P117 T118 R194 F196 F200	P117-L198 HydrophobicContact CB-CD1 3.9Å; T118-L198 HydrophobicContact CG2-CD1 4.03Å; R194-L198 HydrophobicContact CG-CD1 4.34Å; R194-L198 HydrophobicContact CG-CG 4.49Å; R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.09Å; F196-L198 PolarHBondContact O-N 3.44Å; L198-F200 HydrophobicContact CB-CD2 3.79Å; L198-F200 HydrophobicContact CB-CE2 3.68Å; L198-F200 HydrophobicContact CD1-CE2 3.92Å; L198-F200 HydrophobicContact CG-CE2 4.47Å
199	G	84	Confident	87	Confident	48 Å²	48	34.7 Å²	34.7	50%	0.495	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	19.7	176	0	0	0	0	0	115.3	F196 E197 A201	F196-G199 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.3Å; G199-A201 PolarHBondContact O-N 3.11Å; G199-A201 VanDerWaalsContact O-N 3.17Å
200	F	87.3	Confident	86.7	Confident	45 Å²	45	37.2 Å²	37.2	20%	0.197	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	7	-179	-67.5	-59.1	0	0	0	115.1	P117 P167 L195 L198 E202 Q203 L204	P117-F200 WeakPolarHBondContact O-CE2 3.47Å; P167-F200 HydrophobicContact CB-CB 4.01Å; P167-F200 HydrophobicContact CB-CD1 4.08Å; P167-F200 HydrophobicContact CB-CG 4.05Å; P167-F200 HydrophobicContact CG-CB 3.98Å; P167-F200 HydrophobicContact CG-CD1 4.41Å; P167-F200 HydrophobicContact CG-CD2 4.2Å; P167-F200 HydrophobicContact CG-CG 3.96Å; L195-F200 HydrophobicContact CD2-CD2 4.27Å; L195-F200 WeakPolarHBondContact O-CB 3.37Å; L195-F200 PolarHBondContact O-N 2.88Å; L198-F200 HydrophobicContact CB-CD2 3.79Å; L198-F200 HydrophobicContact CB-CE2 3.68Å; L198-F200 HydrophobicContact CD1-CE2 3.92Å; L198-F200 HydrophobicContact CG-CE2 4.47Å; F200-E202 VanDerWaalsContact C-N 3.3Å; F200-E202 PolarHBondContact O-N 3.18Å; F200-Q203 VanDerWaalsContact C-OE1 3.31Å; F200-Q203 VanDerWaalsContact CA-OE1 3.25Å; F200-Q203 PolarHBondContact O-N 3.25Å; F200-Q203 VanDerWaalsContact O-N 3.13Å; F200-Q203 PolarHBondContact O-OE1 3.17Å; F200-L204 HydrophobicContact CB-CG 4.39Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 WeakPolarHBondContact O-CG 3.35Å; F200-L204 PolarHBondContact O-N 2.92Å
201	A	86.5	Confident	86.7	Confident	36 Å²	36	37.7 Å²	37.7	30%	0.298	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-40.4	-174.4	0	0	0	0	0	113.3	F196 G199 S205	F196-A201 HydrophobicContact CD1-CB 3.74Å; F196-A201 HydrophobicContact CE1-CB 3.61Å; G199-A201 PolarHBondContact O-N 3.11Å; G199-A201 VanDerWaalsContact O-N 3.17Å; A201-S205 VanDerWaalsContact O-CB 3.3Å; A201-S205 WeakPolarHBondContact O-CB 3.16Å; A201-S205 PolarHBondContact O-N 2.89Å; A201-S205 PolarHBondContact O-OG 2.91Å
202	E	86.4	Confident	86.8	Confident	139 Å²	139	38 Å²	38	65%	0.65	20%	0.203	S	C	*	.	H	α-helix	trans	-64.9	-46.3	177.5	-65.2	-173.3	167.2	0	0	111.6	F200 S205 E206	F200-E202 VanDerWaalsContact C-N 3.3Å; F200-E202 PolarHBondContact O-N 3.18Å; E202-S205 PolarHBondContact O-N 3.32Å; E202-E206 PolarHBondContact O-N 2.76Å
203	Q	90.3	Very high	86.7	Confident	33 Å²	33	49.5 Å²	49.5	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-37	-177.3	-61.9	79.6	7.5	0	0	111.5	P167 L171 F200 T207	P167-Q203 HydrophobicContact CB-CB 4.13Å; L171-Q203 HydrophobicContact CD2-CB 3.76Å; L171-Q203 HydrophobicContact CD2-CG 3.81Å; F200-Q203 VanDerWaalsContact C-OE1 3.31Å; F200-Q203 VanDerWaalsContact CA-OE1 3.25Å; F200-Q203 PolarHBondContact O-N 3.25Å; F200-Q203 VanDerWaalsContact O-N 3.13Å; F200-Q203 PolarHBondContact O-OE1 3.17Å; Q203-T207 WeakPolarHBondContact O-CB 3.48Å; Q203-T207 PolarHBondContact O-N 2.89Å; Q203-T207 PolarHBondContact O-OG1 3.25Å
204	L	90.8	Very high	86.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-45.5	172.7	-69.6	-179	0	0	0	111.6	M115 P167 F189 L195 F196 F200 E206 T207 L208 F231	M115-L204 HydrophobicContact CE-CD2 4.19Å; P167-L204 HydrophobicContact CB-CD2 4Å; P167-L204 HydrophobicContact CB-CG 4.42Å; P167-L204 HydrophobicContact CG-CD2 3.77Å; P167-L204 HydrophobicContact CG-CG 4.35Å; F189-L204 HydrophobicContact CD1-CD2 4.02Å; F189-L204 HydrophobicContact CE1-CD2 3.69Å; L195-L204 HydrophobicContact CB-CD1 3.94Å; L195-L204 HydrophobicContact CD1-CD1 4.32Å; F196-L204 HydrophobicContact CE2-CD1 4.02Å; F196-L204 HydrophobicContact CZ-CD1 4.05Å; F200-L204 HydrophobicContact CB-CG 4.39Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 WeakPolarHBondContact O-CG 3.35Å; F200-L204 PolarHBondContact O-N 2.92Å; L204-E206 PolarHBondContact O-N 3.23Å; L204-T207 WeakPolarHBondContact O-CB 3.39Å; L204-T207 PolarHBondContact O-N 2.7Å; L204-T207 VanDerWaalsContact O-N 3.16Å; L204-L208 PolarHBondContact O-N 3.13Å; L204-F231 HydrophobicContact CB-CE2 4.02Å; L204-F231 HydrophobicContact CB-CZ 4.09Å; L204-F231 HydrophobicContact CD1-CZ 4.42Å
205	S	87.6	Confident	87.2	Confident	52 Å²	52	56.2 Å²	56.2	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-41.9	179.4	-59.3	0	0	0	0	112.4	A201 E202 K209	A201-S205 VanDerWaalsContact O-CB 3.3Å; A201-S205 WeakPolarHBondContact O-CB 3.16Å; A201-S205 PolarHBondContact O-N 2.89Å; A201-S205 PolarHBondContact O-OG 2.91Å; E202-S205 PolarHBondContact O-N 3.32Å; S205-K209 WeakPolarHBondContact O-CG 3.43Å; S205-K209 PolarHBondContact O-N 2.9Å
206	E	87.1	Confident	87.3	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-37.5	173.4	176	66.6	-179.5	0	0	112.1	L171 E202 L204 K209 R210 T673 S675 I679	L171-E206 HydrophobicContact CD1-CB 4.38Å; L171-E206 HydrophobicContact CD1-CG 3.64Å; L171-E206 HydrophobicContact CD2-CB 4.17Å; L171-E206 HydrophobicContact CD2-CG 4.15Å; E202-E206 PolarHBondContact O-N 2.76Å; L204-E206 PolarHBondContact O-N 3.23Å; E206-K209 PolarHBondContact O-N 3Å; E206-R210 PolarHBondContact O-N 2.85Å; E206-R210 IonicContact OE1-CZ 2.66Å; E206-R210 IonicContact OE1-NE 3.61Å; E206-R210 PolarHBondContact OE1-NE 2.82Å; E206-R210 IonicContact OE1-NH2 3.43Å; E206-R210 PolarHBondContact OE1-NH2 2.83Å; E206-T673 VanDerWaalsContact OE1-CB 3.3Å; E206-T673 WeakPolarHBondContact OE1-CB 3.4Å; E206-T673 WeakPolarHBondContact OE1-CG2 3.37Å; E206-T673 PolarHBondContact OE1-OG1 3.33Å; E206-S675 VanDerWaalsContact CD-OG 3.3Å; E206-S675 PolarHBondContact OE1-OG 3.28Å; E206-S675 PolarHBondContact OE2-OG 2.93Å; E206-I679 HydrophobicContact CB-CD1 4.12Å; E206-I679 HydrophobicContact CG-CD1 3.57Å
207	T	89.7	Confident	87.7	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-44.5	176.8	-56.9	0	0	0	0	111	L113 F170 Q203 L204 K209 R210 L211	L113-T207 HydrophobicContact CD2-CG2 4.21Å; F170-T207 HydrophobicContact CD1-CG2 3.85Å; F170-T207 HydrophobicContact CE1-CG2 3.63Å; Q203-T207 WeakPolarHBondContact O-CB 3.48Å; Q203-T207 PolarHBondContact O-N 2.89Å; Q203-T207 PolarHBondContact O-OG1 3.25Å; L204-T207 WeakPolarHBondContact O-CB 3.39Å; L204-T207 PolarHBondContact O-N 2.7Å; L204-T207 VanDerWaalsContact O-N 3.16Å; T207-K209 VanDerWaalsContact C-N 3.28Å; T207-K209 PolarHBondContact O-N 3.07Å; T207-R210 PolarHBondContact O-N 2.7Å; T207-R210 VanDerWaalsContact O-N 3.09Å; T207-L211 HydrophobicContact CG2-CD1 4.19Å; T207-L211 WeakPolarHBondContact O-CG 3.45Å; T207-L211 PolarHBondContact O-N 2.69Å
208	L	88.1	Confident	88.2	Confident	22 Å²	22	51.5 Å²	51.5	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-34.9	175.5	-76.5	-169.2	0	0	0	113.3	F189 L204 R210 L211 F231	F189-L208 HydrophobicContact CE2-CD2 4.23Å; F189-L208 HydrophobicContact CZ-CD2 3.79Å; F189-L208 HydrophobicContact CZ-CG 4.41Å; L204-L208 PolarHBondContact O-N 3.13Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 2.96Å; L208-L211 HydrophobicContact CD2-CD1 4Å; L208-L211 PolarHBondContact O-N 3.19Å; L208-F231 HydrophobicContact CD1-CD2 4.36Å; L208-F231 HydrophobicContact CD1-CE1 4.29Å; L208-F231 HydrophobicContact CD1-CE2 3.46Å; L208-F231 VanDerWaalsContact CD1-CE2 3.46Å; L208-F231 HydrophobicContact CD1-CZ 3.42Å; L208-F231 VanDerWaalsContact CD1-CZ 3.42Å; L208-F231 HydrophobicContact CG-CE2 4.27Å; L208-F231 HydrophobicContact CG-CZ 4.08Å
209	K	86.4	Confident	88.7	Confident	127 Å²	127	48.4 Å²	48.4	55%	0.552	25%	0.25	S	S	*	.	H	α-helix	trans	-68.4	-21.8	176.5	-72.8	179	-178.4	-170.4	0	113.9	S205 E206 T207 V677	S205-K209 WeakPolarHBondContact O-CG 3.43Å; S205-K209 PolarHBondContact O-N 2.9Å; E206-K209 PolarHBondContact O-N 3Å; T207-K209 VanDerWaalsContact C-N 3.28Å; T207-K209 PolarHBondContact O-N 3.07Å; K209-V677 HydrophobicContact CD-CG2 4.26Å; K209-V677 VanDerWaalsContact NZ-CG2 3.28Å
210	R	87.8	Confident	88.9	Confident	57 Å²	57	46.1 Å²	46.1	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-93.5	-14.7	178.5	-65.2	177.4	-177.2	-130.2	-0.9	113.4	L181 E206 T207 L208	L181-R210 HydrophobicContact CD1-CB 4.45Å; E206-R210 PolarHBondContact O-N 2.85Å; E206-R210 IonicContact OE1-CZ 2.66Å; E206-R210 IonicContact OE1-NE 3.61Å; E206-R210 PolarHBondContact OE1-NE 2.82Å; E206-R210 IonicContact OE1-NH2 3.43Å; E206-R210 PolarHBondContact OE1-NH2 2.83Å; T207-R210 PolarHBondContact O-N 2.7Å; T207-R210 VanDerWaalsContact O-N 3.09Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 2.96Å
211	L	90.4	Very high	88.8	Confident	12 Å²	12	44 Å²	44	6%	0.063	22%	0.217	C	C	.	.	S	Bend	trans	-81	148.8	177.6	-75.7	162.2	0	0	0	110.9	L113 L181 I184 V187 T207 L208	L113-L211 HydrophobicContact CD2-CD1 4.27Å; L113-L211 HydrophobicContact CD2-CD2 4.39Å; L181-L211 HydrophobicContact CB-CD2 4.2Å; L181-L211 HydrophobicContact CD1-CD2 4.12Å; L181-L211 HydrophobicContact CD1-CG 4.3Å; I184-L211 HydrophobicContact CB-CD2 3.69Å; I184-L211 HydrophobicContact CD1-CD2 3.66Å; I184-L211 HydrophobicContact CG1-CD2 4.24Å; I184-L211 HydrophobicContact CG2-CD2 3.67Å; V187-L211 HydrophobicContact CG2-CD1 4.01Å; V187-L211 HydrophobicContact CG2-CD2 4.23Å; T207-L211 HydrophobicContact CG2-CD1 4.19Å; T207-L211 WeakPolarHBondContact O-CG 3.45Å; T207-L211 PolarHBondContact O-N 2.69Å; L208-L211 HydrophobicContact CD2-CD1 4Å; L208-L211 PolarHBondContact O-N 3.19Å
212	P	89.5	Confident	88.5	Confident	34 Å²	34	44 Å²	44	22%	0.221	22%	0.217	C	C	.	.			trans	-62.7	153.4	175.9	28.7	-36.1	0	0	0	111	L181 I184 R215	L181-P212 VanDerWaalsContact O-CD 3.3Å; L181-P212 WeakPolarHBondContact O-CD 3.5Å; I184-P212 WeakPolarHBondContact O-CG 3.21Å; P212-R215 WeakPolarHBondContact O-CD 3.35Å; P212-R215 WeakPolarHBondContact O-CG 3.42Å; P212-R215 PolarHBondContact O-NH1 2.92Å
213	R	84.6	Confident	87.9	Confident	243 Å²	243	38.6 Å²	38.6	92%	0.917	19%	0.194	S	C	*	.	S	Bend	trans	-70.1	-39	176.5	-69.3	-175.5	179.8	176.9	-0.1	112.2	R215	R213-R215 PolarHBondContact O-N 2.97Å; R213-R215 VanDerWaalsContact O-N 3.14Å
214	S	87	Confident	87.5	Confident	111 Å²	111	39.4 Å²	39.4	78%	0.776	20%	0.199	S	C	*	.	S	Bend	trans	-79.8	90.5	174.2	-170.3	0	0	0	0	109.5
215	R	90.8	Very high	87	Confident	47 Å²	47	41 Å²	41	18%	0.177	21%	0.209	C	C	.	.			trans	-153.2	153.4	176.8	64.3	174.9	-170.4	-94.4	-9.8	109.2	P212 R213 T217 G235	P212-R215 WeakPolarHBondContact O-CD 3.35Å; P212-R215 WeakPolarHBondContact O-CG 3.42Å; P212-R215 PolarHBondContact O-NH1 2.92Å; R213-R215 PolarHBondContact O-N 2.97Å; R213-R215 VanDerWaalsContact O-N 3.14Å; R215-T217 PolarHBondContact NE-OG1 3.21Å; R215-T217 VanDerWaalsContact NE-OG1 3.15Å; R215-G235 PolarHBondContact NH2-O 2.84Å; R215-G235 VanDerWaalsContact NH2-O 3.08Å
216	Q	91.3	Very high	86.9	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.5	166.2	-176.1	174.5	25.9	0	0	109.7	I74 G77 R78 D79 E185 Y186 V187 L218	I74-Q216 PolarHBondContact O-NE2 3.13Å; G77-Q216 VanDerWaalsContact C-NE2 3.27Å; G77-Q216 WeakPolarHBondContact O-CG 3.07Å; R78-Q216 PolarHBondContact O-NE2 3.37Å; D79-Q216 WeakPolarHBondContact OD1-CA 3.37Å; E185-Q216 PolarHBondContact O-N 2.81Å; Y186-Q216 CarbonylContact C-O 3.29Å; Y186-Q216 WeakPolarHBondContact CA-O 3.15Å; Y186-Q216 HydrophobicContact CD2-CB 4.26Å; Y186-Q216 HydrophobicContact CD2-CG 4.37Å; V187-Q216 PolarHBondContact N-O 2.81Å; Q216-L218 HydrophobicContact CG-CD2 4.27Å
217	T	92.3	Very high	86.8	Confident	1 Å²	1	51 Å²	51	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.9	-176.2	-48.5	0	0	0	0	111.1	D79 V80 V187 F189 R215 L236	D79-T217 WeakPolarHBondContact CA-O 3.42Å; D79-T217 WeakPolarHBondContact CB-O 3.3Å; D79-T217 PolarHBondContact OD1-N 3.43Å; V80-T217 PolarHBondContact N-O 3.16Å; V187-T217 HydrophobicContact CB-CG2 4.2Å; V187-T217 HydrophobicContact CG1-CG2 4.27Å; V187-T217 CarbonylContact O-C 3.47Å; V187-T217 WeakPolarHBondContact O-CA 3.31Å; F189-T217 HydrophobicContact CD2-CG2 4.04Å; F189-T217 HydrophobicContact CE2-CG2 3.57Å; R215-T217 PolarHBondContact NE-OG1 3.21Å; R215-T217 VanDerWaalsContact NE-OG1 3.15Å; T217-L236 HydrophobicContact CG2-CD2 3.27Å
218	L	92.4	Very high	86.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.8	-174.8	-52.1	173.1	0	0	0	110.5	I74 V80 F94 Y186 V187 V188 F189 Q216 F220	I74-L218 HydrophobicContact CD1-CD1 3.75Å; I74-L218 HydrophobicContact CD1-CD2 3.98Å; I74-L218 HydrophobicContact CG1-CD1 4.43Å; I74-L218 HydrophobicContact CG1-CD2 3.98Å; I74-L218 HydrophobicContact CG2-CD1 4.01Å; I74-L218 HydrophobicContact CG2-CD2 4.37Å; V80-L218 HydrophobicContact CB-CD2 3.7Å; V80-L218 HydrophobicContact CG2-CD2 3.84Å; V80-L218 CarbonylContact O-C 3.5Å; V80-L218 WeakPolarHBondContact O-CA 3.39Å; F94-L218 HydrophobicContact CB-CD1 4.23Å; Y186-L218 HydrophobicContact CE1-CD1 4.03Å; Y186-L218 HydrophobicContact CE2-CD1 3.75Å; Y186-L218 WeakPolarHBondContact OH-CD1 3.37Å; V187-L218 PolarHBondContact O-N 3.38Å; V188-L218 CarbonylContact C-O 3.58Å; V188-L218 WeakPolarHBondContact CA-O 3.43Å; V188-L218 HydrophobicContact CG2-CD1 4.21Å; F189-L218 PolarHBondContact N-O 2.8Å; Q216-L218 HydrophobicContact CG-CD2 4.27Å; L218-F220 HydrophobicContact CB-CD2 4.35Å; L218-F220 HydrophobicContact CB-CE2 3.79Å; L218-F220 HydrophobicContact CD1-CE2 4.26Å
219	I	91.5	Very high	86.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.6	175.9	-59.7	-176.1	0	0	0	108.9	V80 V81 S82 F189 L228 F231 A232 L236	V80-I219 PolarHBondContact O-N 2.84Å; V81-I219 CarbonylContact C-O 3.6Å; V81-I219 WeakPolarHBondContact CA-O 3.43Å; V81-I219 HydrophobicContact CG2-CB 4.31Å; V81-I219 HydrophobicContact CG2-CD1 4.49Å; S82-I219 PolarHBondContact N-O 2.7Å; F189-I219 HydrophobicContact CB-CG1 4.35Å; F189-I219 HydrophobicContact CD2-CG1 3.94Å; I219-L228 HydrophobicContact CD1-CD1 4.35Å; I219-L228 HydrophobicContact CG2-CD1 4.02Å; I219-L228 HydrophobicContact CG2-CD2 4.32Å; I219-L228 HydrophobicContact CG2-CG 4.49Å; I219-F231 HydrophobicContact CD1-CD1 4.11Å; I219-F231 HydrophobicContact CD1-CE1 4.29Å; I219-A232 HydrophobicContact CD1-CB 3.96Å; I219-L236 HydrophobicContact CD1-CD1 3.88Å; I219-L236 HydrophobicContact CD1-CD2 4.34Å; I219-L236 HydrophobicContact CD1-CG 4.37Å; I219-L236 HydrophobicContact CG1-CD1 4.32Å; I219-L236 HydrophobicContact CG1-CD2 4.44Å
220	F	89.1	Confident	86.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.5	174.5	-73	-89.3	0	0	0	110	I56 I74 K90 A93 F94 V188 F189 E191 G192 L218	I56-F220 HydrophobicContact CD1-CD1 4.12Å; I56-F220 HydrophobicContact CD1-CE1 4Å; I74-F220 HydrophobicContact CD1-CZ 4.31Å; K90-F220 HydrophobicContact CB-CD1 4.15Å; K90-F220 HydrophobicContact CD-CB 4.27Å; K90-F220 HydrophobicContact CD-CD1 4.46Å; K90-F220 HydrophobicContact CG-CD1 4.46Å; A93-F220 HydrophobicContact CB-CE1 4.47Å; F94-F220 HydrophobicContact CB-CD2 4.41Å; F94-F220 HydrophobicContact CB-CE2 3.56Å; F94-F220 HydrophobicContact CB-CZ 3.87Å; F94-F220 AromaticContact CD1-CD2 3.7Å; F94-F220 HydrophobicContact CD1-CD2 3.7Å; F94-F220 AromaticContact CD1-CE2 3.67Å; F94-F220 HydrophobicContact CD1-CE2 3.67Å; F94-F220 HydrophobicContact CD1-CG 4.2Å; F94-F220 HydrophobicContact CD1-CZ 4.13Å; F94-F220 HydrophobicContact CE1-CD2 4.41Å; F94-F220 HydrophobicContact CG-CD2 4.44Å; F94-F220 HydrophobicContact CG-CE2 4.05Å; V188-F220 HydrophobicContact CG1-CD2 3.98Å; V188-F220 HydrophobicContact CG1-CE2 4.29Å; F189-F220 PolarHBondContact O-N 3.44Å; E191-F220 VanDerWaalsContact CA-O 3.28Å; E191-F220 WeakPolarHBondContact CA-O 3.41Å; E191-F220 PolarHBondContact N-O 3.04Å; G192-F220 PolarHBondContact N-O 3.09Å; L218-F220 HydrophobicContact CB-CD2 4.35Å; L218-F220 HydrophobicContact CB-CE2 3.79Å; L218-F220 HydrophobicContact CD1-CE2 4.26Å
221	S	85.7	Confident	86.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.3	-173.1	-157.4	0	0	0	0	112	S82 M83 A84 D193 T223 L228	S82-S221 PolarHBondContact O-N 3.36Å; M83-S221 CarbonylContact C-O 3.55Å; M83-S221 WeakPolarHBondContact CA-O 3.33Å; A84-S221 PolarHBondContact N-O 3.2Å; D193-S221 VanDerWaalsContact CB-OG 3.26Å; D193-S221 WeakPolarHBondContact CB-OG 3.46Å; D193-S221 PolarHBondContact N-OG 2.7Å; D193-S221 PolarHBondContact OD1-OG 3.34Å; D193-S221 PolarHBondContact OD2-OG 3.39Å; S221-T223 VanDerWaalsContact CB-O 3.31Å; S221-T223 WeakPolarHBondContact CB-O 3.25Å; S221-T223 PolarHBondContact OG-O 3.48Å; S221-L228 WeakPolarHBondContact OG-CD2 3.43Å
222	A	78.8	Confident	86.3	Confident	36 Å²	36	49.5 Å²	49.5	30%	0.298	25%	0.251	S	S	.	.	S	Bend	trans	-81.6	-31.8	169.8	0	0	0	0	0	111.1	D193	D193-A222 PolarHBondContact OD2-N 3.24Å
223	T	75.4	Confident	86.1	Confident	26 Å²	26	57.6 Å²	57.6	16%	0.16	28%	0.278	C	S	.	.			trans	-137.3	161.3	-179.3	70.2	0	0	0	0	111.6	D193 S221 P225 K363	D193-T223 WeakPolarHBondContact CB-OG1 3.43Å; D193-T223 WeakPolarHBondContact OD2-CB 3.41Å; D193-T223 PolarHBondContact OD2-N 2.91Å; D193-T223 PolarHBondContact OD2-OG1 3.16Å; S221-T223 VanDerWaalsContact CB-O 3.31Å; S221-T223 WeakPolarHBondContact CB-O 3.25Å; S221-T223 PolarHBondContact OG-O 3.48Å; T223-P225 WeakPolarHBondContact O-CD 3.25Å; T223-K363 HydrophobicContact CG2-CD 4.29Å
224	L	81.8	Confident	86.1	Confident	50 Å²	50	50.5 Å²	50.5	26%	0.262	27%	0.271	S	S	.	.			trans	-115.2	86.9	173	-66.1	-179.3	0	0	0	110.7	V81 M83 L228 V229 L241	V81-L224 HydrophobicContact CG1-CD1 4.31Å; V81-L224 HydrophobicContact CG1-CD2 3.8Å; M83-L224 HydrophobicContact CE-CD1 3.73Å; M83-L224 HydrophobicContact CE-CG 4.48Å; M83-L224 HydrophobicContact CG-CD1 3.76Å; M83-L224 HydrophobicContact CG-CD2 4.27Å; M83-L224 HydrophobicContact CG-CG 3.7Å; M83-L224 HydrophobicContact SD-CB 4.39Å; M83-L224 HydrophobicContact SD-CD1 3.51Å; M83-L224 VanDerWaalsContact SD-CD1 3.51Å; M83-L224 HydrophobicContact SD-CG 3.59Å; M83-L224 VanDerWaalsContact SD-CG 3.59Å; L224-L228 HydrophobicContact CD2-CD2 3.73Å; L224-L228 HydrophobicContact CD2-CG 4.34Å; L224-V229 HydrophobicContact CB-CG2 3.97Å; L224-L241 HydrophobicContact CD1-CD1 3.75Å
225	P	80	Confident	85.7	Confident	34 Å²	34	45.7 Å²	45.7	22%	0.221	24%	0.239	C	C	.	.			trans	-68	153.2	167.2	29.6	-34	0	0	0	110.8	D193 T223 N227 L228 V229	D193-P225 HydrophobicContact CB-CG 4.19Å; T223-P225 WeakPolarHBondContact O-CD 3.25Å; P225-N227 VanDerWaalsContact C-N 3.28Å; P225-N227 PolarHBondContact O-N 3.2Å; P225-L228 HydrophobicContact CG-CB 3.82Å; P225-L228 WeakPolarHBondContact O-CB 3.45Å; P225-L228 PolarHBondContact O-N 2.92Å; P225-V229 PolarHBondContact O-N 2.82Å; P225-V229 VanDerWaalsContact O-N 3.16Å
226	K	84.7	Confident	85.4	Confident	165 Å²	165	44.2 Å²	44.2	72%	0.717	24%	0.235	S	C	*	.	H	α-helix	trans	-48.8	-47.5	-177.9	-66.8	-172	177	-173.2	0	112.7	L228 V229 E230	K226-L228 VanDerWaalsContact C-N 3.26Å; K226-L228 PolarHBondContact O-N 3.34Å; K226-V229 CarbonylContact O-C 3.3Å; K226-V229 WeakPolarHBondContact O-CA 3.36Å; K226-V229 WeakPolarHBondContact O-CB 3.49Å; K226-V229 PolarHBondContact O-N 2.87Å; K226-E230 WeakPolarHBondContact O-CG 3.5Å; K226-E230 PolarHBondContact O-N 2.8Å
227	N	85.3	Confident	85.1	Confident	99 Å²	99	49.6 Å²	49.6	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-33	179.1	-50.4	35.8	0	0	0	113.5	F196 P225 F231	F196-N227 HydrophobicContact CD1-CB 4.24Å; P225-N227 VanDerWaalsContact C-N 3.28Å; P225-N227 PolarHBondContact O-N 3.2Å; N227-F231 WeakPolarHBondContact O-CB 3.36Å; N227-F231 PolarHBondContact O-N 3.35Å
228	L	86	Confident	84.6	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-76.7	-34.1	175.4	-179.6	65.6	0	0	0	111.3	D193 F196 I219 S221 L224 P225 K226 F231 A232	D193-L228 HydrophobicContact CB-CD2 4.43Å; F196-L228 HydrophobicContact CD2-CB 4.29Å; F196-L228 HydrophobicContact CD2-CD1 3.73Å; F196-L228 HydrophobicContact CE2-CD1 3.51Å; F196-L228 HydrophobicContact CZ-CD1 4.5Å; I219-L228 HydrophobicContact CD1-CD1 4.35Å; I219-L228 HydrophobicContact CG2-CD1 4.02Å; I219-L228 HydrophobicContact CG2-CD2 4.32Å; I219-L228 HydrophobicContact CG2-CG 4.49Å; S221-L228 WeakPolarHBondContact OG-CD2 3.43Å; L224-L228 HydrophobicContact CD2-CD2 3.73Å; L224-L228 HydrophobicContact CD2-CG 4.34Å; P225-L228 HydrophobicContact CG-CB 3.82Å; P225-L228 WeakPolarHBondContact O-CB 3.45Å; P225-L228 PolarHBondContact O-N 2.92Å; K226-L228 VanDerWaalsContact C-N 3.26Å; K226-L228 PolarHBondContact O-N 3.34Å; L228-F231 HydrophobicContact CD1-CD1 4.41Å; L228-F231 PolarHBondContact O-N 3.46Å; L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.27Å; L228-A232 PolarHBondContact O-N 3.32Å
229	V	86.7	Confident	84.3	Confident	45 Å²	45	57.8 Å²	57.8	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-42.2	173.8	179.2	0	0	0	0	110.7	L224 P225 K226 A232 R233	L224-V229 HydrophobicContact CB-CG2 3.97Å; P225-V229 PolarHBondContact O-N 2.82Å; P225-V229 VanDerWaalsContact O-N 3.16Å; K226-V229 CarbonylContact O-C 3.3Å; K226-V229 WeakPolarHBondContact O-CA 3.36Å; K226-V229 WeakPolarHBondContact O-CB 3.49Å; K226-V229 PolarHBondContact O-N 2.87Å; V229-A232 PolarHBondContact O-N 3.36Å; V229-R233 WeakPolarHBondContact O-CB 3.33Å; V229-R233 VanDerWaalsContact O-CG 3.29Å; V229-R233 WeakPolarHBondContact O-CG 3.48Å; V229-R233 PolarHBondContact O-N 3.44Å
230	E	86.7	Confident	83.9	Confident	115 Å²	115	59.7 Å²	59.7	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-46.5	172.7	-72	160.8	-155	0	0	111.3	K226 R233 A234	K226-E230 WeakPolarHBondContact O-CG 3.5Å; K226-E230 PolarHBondContact O-N 2.8Å; E230-R233 PolarHBondContact O-N 3.37Å; E230-A234 WeakPolarHBondContact O-CB 3.46Å; E230-A234 PolarHBondContact O-N 3.24Å
231	F	87	Confident	83.6	Confident	18 Å²	18	64.6 Å²	64.6	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-40.8	174.6	178.7	-99.3	0	0	0	112.9	F189 F196 L204 L208 I219 N227 L228 A234 G235	F189-F231 HydrophobicContact CD2-CE1 4.28Å; F189-F231 HydrophobicContact CE1-CZ 4.47Å; F189-F231 HydrophobicContact CE2-CE1 4.07Å; F189-F231 HydrophobicContact CE2-CZ 4.26Å; F189-F231 HydrophobicContact CZ-CE1 4.33Å; F189-F231 HydrophobicContact CZ-CZ 4.09Å; F196-F231 HydrophobicContact CE1-CB 4.05Å; F196-F231 HydrophobicContact CE1-CD2 4.27Å; F196-F231 HydrophobicContact CE1-CG 4.2Å; F196-F231 HydrophobicContact CE2-CB 4.29Å; F196-F231 AromaticContact CE2-CD1 3.99Å; F196-F231 HydrophobicContact CE2-CD1 3.99Å; F196-F231 HydrophobicContact CE2-CE1 4.42Å; F196-F231 HydrophobicContact CE2-CG 4.09Å; F196-F231 HydrophobicContact CZ-CB 3.56Å; F196-F231 AromaticContact CZ-CD1 3.72Å; F196-F231 HydrophobicContact CZ-CD1 3.72Å; F196-F231 AromaticContact CZ-CD2 3.61Å; F196-F231 HydrophobicContact CZ-CD2 3.61Å; F196-F231 HydrophobicContact CZ-CE1 4.22Å; F196-F231 HydrophobicContact CZ-CE2 4.11Å; F196-F231 AromaticContact CZ-CG 3.36Å; F196-F231 HydrophobicContact CZ-CG 3.36Å; F196-F231 HydrophobicContact CZ-CZ 4.39Å; L204-F231 HydrophobicContact CB-CE2 4.02Å; L204-F231 HydrophobicContact CB-CZ 4.09Å; L204-F231 HydrophobicContact CD1-CZ 4.42Å; L208-F231 HydrophobicContact CD1-CD2 4.36Å; L208-F231 HydrophobicContact CD1-CE1 4.29Å; L208-F231 HydrophobicContact CD1-CE2 3.46Å; L208-F231 VanDerWaalsContact CD1-CE2 3.46Å; L208-F231 HydrophobicContact CD1-CZ 3.42Å; L208-F231 VanDerWaalsContact CD1-CZ 3.42Å; L208-F231 HydrophobicContact CG-CE2 4.27Å; L208-F231 HydrophobicContact CG-CZ 4.08Å; I219-F231 HydrophobicContact CD1-CD1 4.11Å; I219-F231 HydrophobicContact CD1-CE1 4.29Å; N227-F231 WeakPolarHBondContact O-CB 3.36Å; N227-F231 PolarHBondContact O-N 3.35Å; L228-F231 HydrophobicContact CD1-CD1 4.41Å; L228-F231 PolarHBondContact O-N 3.46Å; F231-A234 PolarHBondContact O-N 3.42Å; F231-G235 WeakPolarHBondContact O-CA 3.43Å; F231-G235 PolarHBondContact O-N 3.48Å
232	A	86.5	Confident	83.4	Confident	9 Å²	9	65.4 Å²	65.4	7%	0.074	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.6	0	0	0	0	0	111.3	V81 I219 L228 V229 A234 G235 L236	V81-A232 HydrophobicContact CG2-CB 4.15Å; I219-A232 HydrophobicContact CD1-CB 3.96Å; L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.27Å; L228-A232 PolarHBondContact O-N 3.32Å; V229-A232 PolarHBondContact O-N 3.36Å; A232-A234 VanDerWaalsContact C-N 3.31Å; A232-A234 PolarHBondContact O-N 3.19Å; A232-G235 PolarHBondContact O-N 3.45Å; A232-L236 HydrophobicContact CB-CD1 3.81Å; A232-L236 HydrophobicContact CB-CG 4.46Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 VanDerWaalsContact O-CG 3.22Å; A232-L236 WeakPolarHBondContact O-CG 3.44Å; A232-L236 PolarHBondContact O-N 2.82Å; A232-L236 VanDerWaalsContact O-N 3.09Å
233	R	85.3	Confident	83.2	Confident	204 Å²	204	70.5 Å²	70.5	77%	0.77	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-33.8	175.9	-73.3	172.9	177.2	-174.6	-3.2	113.3	V229 E230	V229-R233 WeakPolarHBondContact O-CB 3.33Å; V229-R233 VanDerWaalsContact O-CG 3.29Å; V229-R233 WeakPolarHBondContact O-CG 3.48Å; V229-R233 PolarHBondContact O-N 3.44Å; E230-R233 PolarHBondContact O-N 3.37Å
234	A	84.1	Confident	82.9	Confident	93 Å²	93	70.5 Å²	70.5	77%	0.769	36%	0.364	S	S	*	.	H	α-helix	trans	-89.4	-20.6	-178.4	0	0	0	0	0	114.3	E230 F231 A232	E230-A234 WeakPolarHBondContact O-CB 3.46Å; E230-A234 PolarHBondContact O-N 3.24Å; F231-A234 PolarHBondContact O-N 3.42Å; A232-A234 VanDerWaalsContact C-N 3.31Å; A232-A234 PolarHBondContact O-N 3.19Å
235	G	79.4	Confident	81.6	Confident	11 Å²	11	72.3 Å²	72.3	11%	0.113	37%	0.374	C	S	.	.	H	α-helix	trans	-113.7	-13.2	-170.2	0	0	0	0	0	116.1	R215 F231 A232	R215-G235 PolarHBondContact NH2-O 2.84Å; R215-G235 VanDerWaalsContact NH2-O 3.08Å; F231-G235 WeakPolarHBondContact O-CA 3.43Å; F231-G235 PolarHBondContact O-N 3.48Å; A232-G235 PolarHBondContact O-N 3.45Å
236	L	84.3	Confident	80.4	Confident	16 Å²	16	74.4 Å²	74.4	8%	0.084	38%	0.383	C	S	.	.			trans	-113.7	158.3	-178.1	-51.3	178.7	0	0	0	111.4	D79 V81 T217 I219 A232 P239	D79-L236 HydrophobicContact CB-CB 4.2Å; D79-L236 HydrophobicContact CB-CD2 4.45Å; D79-L236 WeakPolarHBondContact OD2-CA 3.45Å; D79-L236 VanDerWaalsContact OD2-CB 3.31Å; D79-L236 WeakPolarHBondContact OD2-CB 3.49Å; V81-L236 HydrophobicContact CG2-CD1 3.43Å; V81-L236 VanDerWaalsContact CG2-CD1 3.43Å; T217-L236 HydrophobicContact CG2-CD2 3.27Å; I219-L236 HydrophobicContact CD1-CD1 3.88Å; I219-L236 HydrophobicContact CD1-CD2 4.34Å; I219-L236 HydrophobicContact CD1-CG 4.37Å; I219-L236 HydrophobicContact CG1-CD1 4.32Å; I219-L236 HydrophobicContact CG1-CD2 4.44Å; A232-L236 HydrophobicContact CB-CD1 3.81Å; A232-L236 HydrophobicContact CB-CG 4.46Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 VanDerWaalsContact O-CG 3.22Å; A232-L236 WeakPolarHBondContact O-CG 3.44Å; A232-L236 PolarHBondContact O-N 2.82Å; A232-L236 VanDerWaalsContact O-N 3.09Å; L236-P239 HydrophobicContact CB-CB 3.86Å; L236-P239 HydrophobicContact CB-CG 3.91Å; L236-P239 HydrophobicContact CD1-CB 3.49Å; L236-P239 VanDerWaalsContact CD1-CB 3.49Å; L236-P239 HydrophobicContact CD1-CG 3.93Å; L236-P239 HydrophobicContact CG-CB 4.3Å
237	V	84.4	Confident	78.6	Confident	117 Å²	117	76.1 Å²	76.1	71%	0.709	39%	0.393	S	S	*	.	S	Bend	trans	-115.5	118.6	173.7	-176.4	0	0	0	0	109	D79	D79-V237 PolarHBondContact OD2-N 2.71Å
238	D	82.5	Confident	77.1	Confident	126 Å²	126	73.6 Å²	73.6	67%	0.674	38%	0.383	S	S	*	.	S	Bend	trans	41	62	-176.3	-169	34.8	0	0	0	115
239	P	84.9	Confident	76.1	Confident	48 Å²	48	78.8 Å²	78.8	31%	0.312	41%	0.406	S	S	.	.			trans	-78.7	127.9	-171.4	31.2	-35.8	0	0	0	113.6	D79 V81 L236 L241	D79-P239 HydrophobicContact CB-CB 4.06Å; D79-P239 WeakPolarHBondContact O-CA 3.24Å; V81-P239 HydrophobicContact CG2-CB 4.15Å; L236-P239 HydrophobicContact CB-CB 3.86Å; L236-P239 HydrophobicContact CB-CG 3.91Å; L236-P239 HydrophobicContact CD1-CB 3.49Å; L236-P239 VanDerWaalsContact CD1-CB 3.49Å; L236-P239 HydrophobicContact CD1-CG 3.93Å; L236-P239 HydrophobicContact CG-CB 4.3Å; P239-L241 PolarHBondContact O-N 3.31Å
240	I	83.8	Confident	75.4	Confident	40 Å²	40	77.4 Å²	77.4	21%	0.205	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.1	174.4	-67.1	168.4	0	0	0	110.4	I73 R78 D79 V80 V81 L242	I73-I240 HydrophobicContact CG2-CD1 3.63Å; R78-I240 HydrophobicContact CB-CD1 4.39Å; R78-I240 VanDerWaalsContact CZ-CD1 3.48Å; D79-I240 PolarHBondContact O-N 3.37Å; V80-I240 WeakPolarHBondContact CA-O 3.38Å; V81-I240 PolarHBondContact N-O 2.92Å; I240-L242 HydrophobicContact CG2-CD2 3.86Å; I240-L242 HydrophobicContact CG2-CG 4.06Å; I240-L242 PolarHBondContact O-N 3.3Å
241	L	83.2	Confident	74.7	Confident	102 Å²	102	73.4 Å²	73.4	53%	0.534	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	98.4	175.8	-175.9	61.6	0	0	0	111.5	V81 M83 L224 P239 R243	V81-L241 HydrophobicContact CB-CD1 4Å; V81-L241 HydrophobicContact CG1-CD1 3.82Å; V81-L241 CarbonylContact O-C 3.46Å; V81-L241 WeakPolarHBondContact O-CA 3.42Å; M83-L241 HydrophobicContact CE-CD1 4.09Å; M83-L241 HydrophobicContact CE-CG 4.45Å; L224-L241 HydrophobicContact CD1-CD1 3.75Å; P239-L241 PolarHBondContact O-N 3.31Å; L241-R243 PolarHBondContact O-N 2.99Å
242	L	79.9	Confident	74.2	Confident	18 Å²	18	81 Å²	81	9%	0.094	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	97.1	174.9	-67.3	-176.3	0	0	0	111.3	V60 I73 V80 V81 S82 M83 I240	V60-L242 HydrophobicContact CG2-CD1 3.67Å; I73-L242 HydrophobicContact CD1-CD1 4.21Å; I73-L242 HydrophobicContact CD1-CD2 3.92Å; V80-L242 HydrophobicContact CG1-CB 4.41Å; V80-L242 HydrophobicContact CG1-CD1 3.7Å; V80-L242 HydrophobicContact CG1-CG 3.93Å; V81-L242 PolarHBondContact O-N 3.06Å; S82-L242 WeakPolarHBondContact CA-O 3.4Å; M83-L242 PolarHBondContact N-O 3.44Å; I240-L242 HydrophobicContact CG2-CD2 3.86Å; I240-L242 HydrophobicContact CG2-CG 4.06Å; I240-L242 PolarHBondContact O-N 3.3Å
243	R	75.9	Confident	74	Confident	142 Å²	142	83.7 Å²	83.7	54%	0.536	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.2	169.8	-165.1	169.4	172.6	166.3	-14.3	111.1	K59 M83 L241 D245	K59-R243 PolarHBondContact NZ-O 3.25Å; M83-R243 HydrophobicContact CE-CB 3.88Å; M83-R243 HydrophobicContact CE-CG 3.61Å; L241-R243 PolarHBondContact O-N 2.99Å; R243-D245 WeakPolarHBondContact CD-OD2 3.45Å; R243-D245 VanDerWaalsContact CG-OD2 3.3Å; R243-D245 WeakPolarHBondContact CG-OD2 3.43Å; R243-D245 IonicContact CZ-OD1 2.76Å; R243-D245 VanDerWaalsContact CZ-OD1 3.25Å; R243-D245 IonicContact CZ-OD2 3.94Å; R243-D245 IonicContact NE-OD1 3.3Å; R243-D245 PolarHBondContact NE-OD1 3.23Å; R243-D245 IonicContact NE-OD2 3.31Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 IonicContact NH2-OD1 2.75Å; R243-D245 PolarHBondContact NH2-OD1 3.13Å
244	L	67.9	Low	74.1	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.141	40%	0.396	C	S	.	.			trans	-100	80.9	165.7	-67.9	170.2	0	0	0	108.6	I56 K59 M83 A84 L246	I56-L244 HydrophobicContact CB-CD1 3.39Å; I56-L244 HydrophobicContact CD1-CD1 3.98Å; I56-L244 HydrophobicContact CG1-CD1 3.8Å; K59-L244 HydrophobicContact CD-CD2 3.56Å; K59-L244 HydrophobicContact CG-CD2 4.04Å; M83-L244 PolarHBondContact O-N 3.43Å; A84-L244 HydrophobicContact CB-CD1 3.91Å; L244-L246 PolarHBondContact O-N 3.31Å
245	D	56.4	Low	74.3	Confident	87 Å²	87	72 Å²	72	47%	0.465	37%	0.368	S	S	.	.			trans	-62.8	106.7	165.9	-73.7	-58.7	0	0	0	108.8	R243	R243-D245 WeakPolarHBondContact CD-OD2 3.45Å; R243-D245 VanDerWaalsContact CG-OD2 3.3Å; R243-D245 WeakPolarHBondContact CG-OD2 3.43Å; R243-D245 IonicContact CZ-OD1 2.76Å; R243-D245 VanDerWaalsContact CZ-OD1 3.25Å; R243-D245 IonicContact CZ-OD2 3.94Å; R243-D245 IonicContact NE-OD1 3.3Å; R243-D245 PolarHBondContact NE-OD1 3.23Å; R243-D245 IonicContact NE-OD2 3.31Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 IonicContact NH2-OD1 2.75Å; R243-D245 PolarHBondContact NH2-OD1 3.13Å
246	L	53.7	Low	74.9	Confident	79 Å²	79	71.5 Å²	71.5	41%	0.414	36%	0.363	S	S	.	.			trans	-96.2	109.8	162.3	-68.2	150.4	0	0	0	103.4	R85 L244 S248	R85-L246 HydrophobicContact CG-CD1 4.06Å; R85-L246 VanDerWaalsContact NE-CD1 3.26Å; L244-L246 PolarHBondContact O-N 3.31Å; L246-S248 CarbonylContact O-C 3.57Å; L246-S248 PolarHBondContact O-N 3.29Å
247	H	47.2	Very low	75.2	Confident	200 Å²	200	70.8 Å²	70.8	93%	0.926	36%	0.359	S	S	*	.	S	Bend	trans	-57.5	-13.3	-169.8	-72	-84.5	0	0	0	114.3
248	S	54	Low	75.6	Confident	47 Å²	47	65.2 Å²	65.2	33%	0.329	33%	0.325	S	S	.	.			trans	-112.3	125.9	164.5	65.7	0	0	0	0	111.7	L246 L250	L246-S248 CarbonylContact O-C 3.57Å; L246-S248 PolarHBondContact O-N 3.29Å; S248-L250 WeakPolarHBondContact CB-O 3.26Å; S248-L250 PolarHBondContact O-N 2.68Å; S248-L250 PolarHBondContact OG-O 3.42Å
249	K	64	Low	76	Confident	111 Å²	111	59.2 Å²	59.2	48%	0.483	29%	0.293	S	S	.	.	S	Bend	trans	-60.9	-29	172.6	-67.9	179.7	-178.5	177.3	0	112	L366 F399 L400	K249-L366 HydrophobicContact CB-CD1 4.45Å; K249-F399 HydrophobicContact CD-CD1 4.4Å; K249-F399 HydrophobicContact CD-CE1 3.92Å; K249-F399 HydrophobicContact CD-CZ 4.25Å; K249-F399 PolarHBondContact NZ-O 3.08Å; K249-L400 HydrophobicContact CB-CD2 4.09Å; K249-L400 HydrophobicContact CD-CD2 4.34Å
250	L	72.4	Confident	76.2	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	28%	0.281	C	S	.	.	S	Bend	trans	-110.3	161.7	177.4	-62.9	171.5	0	0	0	110.7	S248 L254 L256 L366 V369 L400	S248-L250 WeakPolarHBondContact CB-O 3.26Å; S248-L250 PolarHBondContact O-N 2.68Å; S248-L250 PolarHBondContact OG-O 3.42Å; L250-L254 HydrophobicContact CB-CD2 4.31Å; L250-L254 HydrophobicContact CD2-CD2 3.78Å; L250-L254 HydrophobicContact CG-CD2 4.44Å; L250-L256 HydrophobicContact CD1-CD1 3.81Å; L250-L256 HydrophobicContact CD1-CG 4.39Å; L250-L366 HydrophobicContact CD2-CD1 3.35Å; L250-L366 HydrophobicContact CG-CD1 4.14Å; L250-V369 HydrophobicContact CD2-CG2 3.59Å; L250-L400 HydrophobicContact CD1-CD1 3.78Å; L250-L400 HydrophobicContact CD1-CD2 3.87Å; L250-L400 HydrophobicContact CD1-CG 4.48Å; L250-L400 HydrophobicContact CG-CD2 4Å
251	S	72.3	Confident	76.5	Confident	32 Å²	32	55.9 Å²	55.9	22%	0.224	27%	0.274	C	S	.	.			trans	-70.2	151.7	166.5	-146	0	0	0	0	110	D253 L254	S251-D253 PolarHBondContact OG-OD2 3.22Å; S251-L254 PolarHBondContact O-N 3.02Å
252	Q	76	Confident	76.8	Confident	178 Å²	178	54.2 Å²	54.2	83%	0.832	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-30.1	169.7	-69.7	174.4	-17.8	0	0	111	L254	Q252-L254 PolarHBondContact O-N 2.71Å
253	D	82.5	Confident	77.2	Confident	64 Å²	64	57 Å²	57	34%	0.342	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	0.2	178.2	-32.7	-74.3	0	0	0	114.3	S251 A373 R378 G379	S251-D253 PolarHBondContact OG-OD2 3.22Å; D253-A373 HydrophobicContact CB-CB 4.22Å; D253-R378 HydrophobicContact CB-CG 4.38Å; D253-R378 WeakPolarHBondContact O-CA 3.33Å; D253-G379 PolarHBondContact O-N 2.96Å; D253-G379 VanDerWaalsContact O-N 3.1Å
254	L	86.8	Confident	77.7	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.7	179.7	-178.4	71.3	0	0	0	110.2	L250 S251 Q252 L256 V369 V372 A373 A381	L250-L254 HydrophobicContact CB-CD2 4.31Å; L250-L254 HydrophobicContact CD2-CD2 3.78Å; L250-L254 HydrophobicContact CG-CD2 4.44Å; S251-L254 PolarHBondContact O-N 3.02Å; Q252-L254 PolarHBondContact O-N 2.71Å; L254-L256 HydrophobicContact CD2-CD2 3.78Å; L254-L256 HydrophobicContact CG-CD2 3.96Å; L254-V369 HydrophobicContact CD2-CB 4.06Å; L254-V369 HydrophobicContact CD2-CG2 3.92Å; L254-V372 HydrophobicContact CD1-CB 3.7Å; L254-V372 HydrophobicContact CD1-CG1 3.55Å; L254-A373 HydrophobicContact CB-CB 3.72Å; L254-A373 HydrophobicContact CD1-CB 4.12Å; L254-A381 HydrophobicContact CD1-CB 4.29Å
255	K	89.2	Confident	78.8	Confident	44 Å²	44	59.5 Å²	59.5	19%	0.191	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.2	170.4	-57.6	-165.3	176.3	-165	0	110.7	G379 V380 A381 E415 W416	K255-G379 PolarHBondContact N-O 2.91Å; K255-V380 WeakPolarHBondContact O-CA 3.37Å; K255-A381 PolarHBondContact O-N 3.45Å; K255-E415 IonicContact NZ-OE2 2.74Å; K255-E415 PolarHBondContact NZ-OE2 3.12Å; K255-W416 HydrophobicContact CB-CH2 3.34Å; K255-W416 HydrophobicContact CB-CZ2 3.91Å; K255-W416 HydrophobicContact CB-CZ3 3.83Å; K255-W416 HydrophobicContact CD-CD2 4.49Å; K255-W416 HydrophobicContact CD-CH2 4.1Å; K255-W416 HydrophobicContact CD-CZ2 3.99Å; K255-W416 HydrophobicContact CD-CZ3 4.39Å; K255-W416 HydrophobicContact CG-CH2 4.36Å; K255-W416 PolarHBondContact NZ-O 3.29Å
256	L	90.5	Very high	80.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.7	173.3	-59.6	-164.8	0	0	0	110.7	L250 L254 F365 A381 L400 W416 S418 D419	L250-L256 HydrophobicContact CD1-CD1 3.81Å; L250-L256 HydrophobicContact CD1-CG 4.39Å; L254-L256 HydrophobicContact CD2-CD2 3.78Å; L254-L256 HydrophobicContact CG-CD2 3.96Å; L256-F365 HydrophobicContact CD1-CE1 3.9Å; L256-F365 HydrophobicContact CD1-CZ 3.95Å; L256-F365 HydrophobicContact CD2-CZ 4.3Å; L256-A381 HydrophobicContact CD2-CB 3.74Å; L256-L400 HydrophobicContact CD1-CD1 4.32Å; L256-W416 WeakPolarHBondContact O-CZ3 3.47Å; L256-S418 PolarHBondContact N-OG 3.35Å; L256-D419 WeakPolarHBondContact CD1-OD1 3.26Å; L256-D419 PolarHBondContact O-N 2.91Å
257	A	91.6	Very high	82.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.3	178.3	0	0	0	0	0	110.4	A381 Y382 S383 W416 I490	A257-A381 PolarHBondContact N-O 3.4Å; A257-Y382 HydrophobicContact CB-CD1 3.99Å; A257-Y382 CarbonylContact O-C 3.58Å; A257-S383 PolarHBondContact O-N 2.76Å; A257-W416 HydrophobicContact CB-CH2 3.89Å; A257-W416 HydrophobicContact CB-CZ3 4.05Å; A257-I490 HydrophobicContact CB-CD1 3.26Å
258	H	92.2	Very high	84.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	103.5	-174.8	-62.4	-71.8	0	0	0	110.7	L393 F397 C420 V421 G422 H488	H258-L393 HydrophobicContact CB-CD2 4.29Å; H258-L393 VanDerWaalsContact CE1-CD1 3.47Å; H258-L393 WeakPolarHBondContact CE1-CD1 3.25Å; H258-L393 WeakPolarHBondContact ND1-CD1 3.43Å; H258-F397 AromaticContact CD2-CE1 4Å; H258-F397 AromaticContact CD2-CZ 3.66Å; H258-F397 AromaticContact NE2-CE1 3.72Å; H258-F397 AromaticContact NE2-CZ 3.81Å; H258-C420 PolarHBondContact N-O 2.64Å; H258-V421 HydrophobicContact CB-CB 4.38Å; H258-V421 HydrophobicContact CB-CG1 4.34Å; H258-V421 HydrophobicContact CB-CG2 3.97Å; H258-V421 WeakPolarHBondContact O-CA 3.4Å; H258-G422 PolarHBondContact O-N 3.42Å; H258-H488 PolarHBondContact N-NE2 3.49Å; H258-H488 PolarHBondContact O-CD2 3.47Å
259	I	91.5	Very high	86.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108.5	-176.7	-57.1	163.3	0	0	0	108.7	I269 L273 S383 L384 V385 G422 A424 F491	I259-I269 HydrophobicContact CD1-CG2 4.37Å; I259-I269 HydrophobicContact CG2-CD1 4.28Å; I259-I269 HydrophobicContact CG2-CG2 4.42Å; I259-L273 HydrophobicContact CD1-CD1 4.31Å; I259-L273 HydrophobicContact CD1-CD2 4.31Å; I259-S383 PolarHBondContact N-O 3.35Å; I259-L384 HydrophobicContact CB-CD2 4.07Å; I259-L384 HydrophobicContact CD1-CD2 4.13Å; I259-L384 HydrophobicContact CG2-CD2 4.44Å; I259-L384 WeakPolarHBondContact O-CA 3.36Å; I259-V385 PolarHBondContact O-N 3.48Å; I259-G422 CarbonylContact C-O 3.49Å; I259-G422 WeakPolarHBondContact CA-O 3.29Å; I259-A424 HydrophobicContact CG2-CB 4.24Å; I259-F491 HydrophobicContact CD1-CE2 4.13Å; I259-F491 HydrophobicContact CD1-CZ 3.93Å; I259-F491 HydrophobicContact CG1-CE2 4.32Å; I259-F491 HydrophobicContact CG2-CE2 4.31Å; I259-F491 HydrophobicContact CG2-CZ 4.37Å
260	T	89.8	Confident	87.8	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.8	171.7	54.1	0	0	0	0	110.2	V385 V421 G422 L485	T260-V385 WeakPolarHBondContact CA-O 3.47Å; T260-V421 HydrophobicContact CG2-CG1 3.69Å; T260-G422 PolarHBondContact N-O 3.44Å; T260-G422 PolarHBondContact OG1-O 2.89Å; T260-G422 VanDerWaalsContact OG1-O 3.13Å; T260-L485 HydrophobicContact CG2-CD1 3.83Å; T260-L485 WeakPolarHBondContact OG1-CD1 3.37Å
261	C	89.9	Confident	88.8	Confident	10 Å²	10	37.6 Å²	37.6	7%	0.068	19%	0.194	C	C	.	.			trans	-156.2	169.4	-177.1	50.4	0	0	0	0	110.8	E265 K266 I269 V385 P387	C261-E265 HydrophobicContact CB-CB 4.26Å; C261-K266 VanDerWaalsContact SG-CG 3.58Å; C261-I269 HydrophobicContact CB-CD1 3.33Å; C261-V385 PolarHBondContact N-O 2.93Å; C261-V385 VanDerWaalsContact N-O 3.12Å; C261-P387 WeakPolarHBondContact O-CD 3.35Å
262	L	89.2	Confident	89.8	Confident	68 Å²	68	36.3 Å²	36.3	36%	0.356	18%	0.184	S	C	.	.			trans	-83.5	155.4	168.4	-60.6	176	0	0	0	110.9	E264 E265 K266 P387	L262-E264 PolarHBondContact O-N 3.03Å; L262-E264 VanDerWaalsContact O-N 3.08Å; L262-E265 HydrophobicContact CB-CG 3.99Å; L262-E265 PolarHBondContact N-OE2 3.45Å; L262-E265 WeakPolarHBondContact O-CB 3.31Å; L262-E265 PolarHBondContact O-N 3.46Å; L262-K266 PolarHBondContact O-N 3.43Å; L262-P387 HydrophobicContact CD2-CG 4.25Å
263	P	88.3	Confident	90.6	Very high	75 Å²	75	27.9 Å²	27.9	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.1	-177.2	-27.2	33.7	0	0	0	114.9	D386	P263-D386 VanDerWaalsContact CA-OD1 3.26Å; P263-D386 WeakPolarHBondContact CA-OD1 3.35Å; P263-D386 HydrophobicContact CG-CB 4.29Å
264	E	86.8	Confident	91.1	Very high	169 Å²	169	24.8 Å²	24.8	79%	0.79	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-30.6	-179.9	-58.4	-176.6	168.9	0	0	112	L262	L262-E264 PolarHBondContact O-N 3.03Å; L262-E264 VanDerWaalsContact O-N 3.08Å
265	E	89.6	Confident	91.2	Very high	53 Å²	53	26.2 Å²	26.2	25%	0.248	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.3	-178.1	-60.2	169.7	164.1	0	0	112.2	C261 L262 N267 V268 I269 M429	C261-E265 HydrophobicContact CB-CB 4.26Å; L262-E265 HydrophobicContact CB-CG 3.99Å; L262-E265 PolarHBondContact N-OE2 3.45Å; L262-E265 WeakPolarHBondContact O-CB 3.31Å; L262-E265 PolarHBondContact O-N 3.46Å; E265-N267 PolarHBondContact O-N 3.18Å; E265-V268 WeakPolarHBondContact O-CA 3.45Å; E265-V268 VanDerWaalsContact O-CB 3.29Å; E265-V268 WeakPolarHBondContact O-CB 3.45Å; E265-V268 PolarHBondContact O-N 3.06Å; E265-I269 HydrophobicContact CB-CD1 4.28Å; E265-I269 WeakPolarHBondContact O-CG1 3.17Å; E265-I269 PolarHBondContact O-N 3.06Å; E265-M429 HydrophobicContact CB-CE 3.96Å; E265-M429 HydrophobicContact CG-CE 3.57Å; E265-M429 WeakPolarHBondContact OE1-CE 3.24Å; E265-M429 VanDerWaalsContact OE2-CE 3.27Å; E265-M429 WeakPolarHBondContact OE2-CE 3.38Å
266	K	92.5	Very high	91.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-52.9	-39.2	179.7	-75.6	-175.4	156.1	179.3	0	113.6	C261 L262 V268 I269 L270 F356 L384 D386 E389	C261-K266 VanDerWaalsContact SG-CG 3.58Å; L262-K266 PolarHBondContact O-N 3.43Å; K266-V268 VanDerWaalsContact C-N 3.27Å; K266-V268 PolarHBondContact O-N 2.95Å; K266-I269 PolarHBondContact O-N 3.42Å; K266-L270 WeakPolarHBondContact O-CB 3.49Å; K266-L270 PolarHBondContact O-N 3.41Å; K266-F356 HydrophobicContact CB-CD2 4.44Å; K266-F356 HydrophobicContact CB-CE1 4.12Å; K266-F356 HydrophobicContact CB-CE2 3.71Å; K266-F356 HydrophobicContact CB-CZ 3.52Å; K266-F356 HydrophobicContact CD-CE1 4.26Å; K266-F356 HydrophobicContact CD-CZ 4.48Å; K266-F356 VanDerWaalsContact CE-O 3.29Å; K266-F356 WeakPolarHBondContact CE-O 3.34Å; K266-F356 PolarHBondContact NZ-O 3.23Å; K266-F356 WeakPolarHBondContact O-CE2 3.4Å; K266-L384 HydrophobicContact CB-CD1 4.18Å; K266-L384 HydrophobicContact CD-CB 4.34Å; K266-L384 HydrophobicContact CG-CB 4.14Å; K266-L384 HydrophobicContact CG-CD1 4.25Å; K266-D386 WeakPolarHBondContact CD-OD1 3.24Å; K266-D386 WeakPolarHBondContact CE-OD1 3.3Å; K266-D386 WeakPolarHBondContact CE-OD2 3.34Å; K266-D386 IonicContact NZ-OD1 2.68Å; K266-D386 PolarHBondContact NZ-OD1 3.28Å; K266-D386 IonicContact NZ-OD2 3.97Å; K266-D386 PolarHBondContact NZ-OD2 2.79Å; K266-E389 IonicContact NZ-OE1 3.51Å; K266-E389 IonicContact NZ-OE2 2.68Å; K266-E389 PolarHBondContact NZ-OE2 2.88Å
267	N	92.4	Very high	91	Very high	56 Å²	56	33.2 Å²	33.2	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-57.4	-45.2	176.9	-60.6	-6.1	0	0	0	110.7	E265 V271 F297 F356	E265-N267 PolarHBondContact O-N 3.18Å; N267-V271 WeakPolarHBondContact O-CG2 3.3Å; N267-V271 PolarHBondContact O-N 2.9Å; N267-F297 HydrophobicContact CB-CZ 4.32Å; N267-F297 WeakPolarHBondContact OD1-CZ 3.45Å; N267-F356 WeakPolarHBondContact OD1-CZ 3.42Å
268	V	93.3	Very high	90.9	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-46.4	-176.6	-166.5	0	0	0	0	110.7	E265 K266 L270 V271 H272 L432 A433 I436	E265-V268 WeakPolarHBondContact O-CA 3.45Å; E265-V268 VanDerWaalsContact O-CB 3.29Å; E265-V268 WeakPolarHBondContact O-CB 3.45Å; E265-V268 PolarHBondContact O-N 3.06Å; K266-V268 VanDerWaalsContact C-N 3.27Å; K266-V268 PolarHBondContact O-N 2.95Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 2.89Å; V268-V271 PolarHBondContact O-N 2.89Å; V268-H272 WeakPolarHBondContact O-CB 3.04Å; V268-H272 PolarHBondContact O-N 3.15Å; V268-L432 HydrophobicContact CG1-CB 3.36Å; V268-L432 HydrophobicContact CG1-CD1 4.47Å; V268-A433 HydrophobicContact CG2-CB 3.92Å; V268-I436 HydrophobicContact CB-CD1 4.36Å; V268-I436 HydrophobicContact CG1-CD1 4.48Å; V268-I436 HydrophobicContact CG2-CD1 4.24Å
269	I	92.9	Very high	90.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-39.4	179.4	-60.5	164.5	0	0	0	110.5	I259 C261 E265 K266 V271 H272 L273 L384 A424 F491	I259-I269 HydrophobicContact CD1-CG2 4.37Å; I259-I269 HydrophobicContact CG2-CD1 4.28Å; I259-I269 HydrophobicContact CG2-CG2 4.42Å; C261-I269 HydrophobicContact CB-CD1 3.33Å; E265-I269 HydrophobicContact CB-CD1 4.28Å; E265-I269 WeakPolarHBondContact O-CG1 3.17Å; E265-I269 PolarHBondContact O-N 3.06Å; K266-I269 PolarHBondContact O-N 3.42Å; I269-V271 PolarHBondContact O-N 3.01Å; I269-H272 PolarHBondContact O-N 3.42Å; I269-L273 HydrophobicContact CG2-CD1 3.98Å; I269-L273 HydrophobicContact CG2-CG 4.18Å; I269-L273 WeakPolarHBondContact O-CB 3.18Å; I269-L273 VanDerWaalsContact O-CG 3.27Å; I269-L273 WeakPolarHBondContact O-CG 3.47Å; I269-L273 PolarHBondContact O-N 3.12Å; I269-L384 HydrophobicContact CB-CD1 4.42Å; I269-L384 HydrophobicContact CB-CD2 4.32Å; I269-L384 HydrophobicContact CG2-CD1 4.42Å; I269-L384 HydrophobicContact CG2-CD2 3.55Å; I269-A424 HydrophobicContact CD1-CB 3.74Å; I269-A424 HydrophobicContact CG1-CB 3.87Å; I269-F491 HydrophobicContact CG2-CZ 4.31Å
270	L	94.2	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-47.8	175	-179	68.7	0	0	0	112	K266 V268 H272 L273 L274 V286 F288 F297 I354 F356	K266-L270 WeakPolarHBondContact O-CB 3.49Å; K266-L270 PolarHBondContact O-N 3.41Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 2.89Å; L270-H272 VanDerWaalsContact C-N 3.32Å; L270-H272 PolarHBondContact O-N 3.04Å; L270-L273 PolarHBondContact O-N 2.96Å; L270-L274 HydrophobicContact CD1-CD1 4.15Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.05Å; L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 2.96Å; L270-V286 HydrophobicContact CD1-CG1 3.74Å; L270-V286 HydrophobicContact CD1-CG2 4.03Å; L270-V286 HydrophobicContact CD2-CG1 4.16Å; L270-F288 HydrophobicContact CD2-CZ 4.13Å; L270-F297 HydrophobicContact CD2-CD1 3.62Å; L270-F297 HydrophobicContact CD2-CE1 3.55Å; L270-F297 HydrophobicContact CD2-CZ 4.4Å; L270-I354 HydrophobicContact CD1-CB 4.44Å; L270-I354 HydrophobicContact CD1-CD1 3.76Å; L270-I354 HydrophobicContact CD1-CG2 3.85Å; L270-F356 HydrophobicContact CB-CD2 4.02Å; L270-F356 HydrophobicContact CB-CE2 4.15Å; L270-F356 HydrophobicContact CD2-CD2 3.85Å; L270-F356 HydrophobicContact CD2-CE2 4.19Å; L270-F356 HydrophobicContact CG-CD2 4.33Å
271	V	93.6	Very high	90.2	Very high	10 Å²	10	51.6 Å²	51.6	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-41.1	178.9	170.3	0	0	0	0	110.8	N267 V268 I269 G275 L301 L304 F306 I436	N267-V271 WeakPolarHBondContact O-CG2 3.3Å; N267-V271 PolarHBondContact O-N 2.9Å; V268-V271 PolarHBondContact O-N 2.89Å; I269-V271 PolarHBondContact O-N 3.01Å; V271-G275 PolarHBondContact O-N 2.87Å; V271-L301 HydrophobicContact CG2-CD2 4.2Å; V271-L304 HydrophobicContact CB-CD1 4.44Å; V271-L304 HydrophobicContact CG1-CD1 3.93Å; V271-L304 HydrophobicContact CG2-CD1 3.57Å; V271-F306 HydrophobicContact CG1-CE2 4.22Å; V271-I436 HydrophobicContact CB-CD1 4.11Å; V271-I436 HydrophobicContact CG1-CD1 4.49Å; V271-I436 HydrophobicContact CG2-CD1 3.88Å
272	H	92.4	Very high	90.2	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-45.8	175.6	-172.8	91	0	0	0	112.6	V268 I269 L270 L274 G275 K276 I428 L432 F491	V268-H272 WeakPolarHBondContact O-CB 3.04Å; V268-H272 PolarHBondContact O-N 3.15Å; I269-H272 PolarHBondContact O-N 3.42Å; L270-H272 VanDerWaalsContact C-N 3.32Å; L270-H272 PolarHBondContact O-N 3.04Å; H272-L274 PolarHBondContact O-N 2.91Å; H272-G275 PolarHBondContact O-N 3.26Å; H272-K276 PolarHBondContact O-N 3.46Å; H272-I428 HydrophobicContact CB-CG2 4.42Å; H272-I428 VanDerWaalsContact CE1-CG2 3.5Å; H272-I428 WeakPolarHBondContact CE1-CG2 3.22Å; H272-I428 WeakPolarHBondContact ND1-CG2 3.33Å; H272-L432 HydrophobicContact CB-CD1 3.8Å; H272-F491 AromaticContact CD2-CD1 3.84Å; H272-F491 AromaticContact CD2-CE1 3.7Å; H272-F491 AromaticContact NE2-CD1 3.71Å
273	L	92.8	Very high	90.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-59.4	-46.1	178.1	-75.1	171.7	0	0	0	111.5	I259 I269 L270 V277 I278 I354 Y382 L384	I259-L273 HydrophobicContact CD1-CD1 4.31Å; I259-L273 HydrophobicContact CD1-CD2 4.31Å; I269-L273 HydrophobicContact CG2-CD1 3.98Å; I269-L273 HydrophobicContact CG2-CG 4.18Å; I269-L273 WeakPolarHBondContact O-CB 3.18Å; I269-L273 VanDerWaalsContact O-CG 3.27Å; I269-L273 WeakPolarHBondContact O-CG 3.47Å; I269-L273 PolarHBondContact O-N 3.12Å; L270-L273 PolarHBondContact O-N 2.96Å; L273-V277 HydrophobicContact CD2-CB 3.98Å; L273-V277 HydrophobicContact CD2-CG1 4.01Å; L273-V277 HydrophobicContact CD2-CG2 4.03Å; L273-V277 PolarHBondContact O-N 3.16Å; L273-I278 HydrophobicContact CB-CD1 4.46Å; L273-I278 WeakPolarHBondContact O-CB 3.48Å; L273-I278 WeakPolarHBondContact O-CG1 3.15Å; L273-I278 PolarHBondContact O-N 3.08Å; L273-I354 HydrophobicContact CB-CD1 4.43Å; L273-I354 HydrophobicContact CD1-CG2 4.47Å; L273-Y382 HydrophobicContact CD1-CD1 4.49Å; L273-Y382 HydrophobicContact CD1-CG 4.4Å; L273-Y382 HydrophobicContact CD2-CD1 3.84Å; L273-Y382 HydrophobicContact CD2-CE1 3.96Å; L273-Y382 HydrophobicContact CD2-CG 4.41Å; L273-L384 HydrophobicContact CD1-CD2 4.12Å
274	L	92.8	Very high	90.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-70.3	-29.7	179.3	-66.7	174.6	0	0	0	113.4	L270 H272 I278 A284 L301 F306 R333 V334 I354	L270-L274 HydrophobicContact CD1-CD1 4.15Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.05Å; L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 2.96Å; H272-L274 PolarHBondContact O-N 2.91Å; L274-I278 HydrophobicContact CD2-CD1 4.32Å; L274-A284 HydrophobicContact CD2-CB 4.04Å; L274-L301 HydrophobicContact CD1-CD1 3.99Å; L274-L301 HydrophobicContact CD1-CD2 3.89Å; L274-F306 HydrophobicContact CB-CD1 4.35Å; L274-F306 HydrophobicContact CB-CE1 4.02Å; L274-F306 HydrophobicContact CB-CZ 4.36Å; L274-R333 PolarHBondContact O-NH1 3.48Å; L274-V334 HydrophobicContact CD1-CG1 4.16Å; L274-V334 HydrophobicContact CD1-CG2 4.28Å; L274-V334 HydrophobicContact CD2-CG1 4.14Å; L274-V334 HydrophobicContact CD2-CG2 3.76Å; L274-I354 HydrophobicContact CD2-CD1 3.92Å; L274-I354 HydrophobicContact CG-CD1 4.36Å
275	G	90.2	Very high	90.9	Very high	38 Å²	38	40 Å²	40	39%	0.392	20%	0.202	S	C	.	.	I	π-helix	trans	-89.2	-38.7	-175.2	0	0	0	0	0	115.7	V271 H272	V271-G275 PolarHBondContact O-N 2.87Å; H272-G275 PolarHBondContact O-N 3.26Å
276	K	87.8	Confident	91.1	Very high	150 Å²	150	37.5 Å²	37.5	65%	0.652	19%	0.19	S	C	*	.	I	π-helix	trans	-118.7	-43.7	-173.8	-66.2	-160.3	-178	-173.2	0	114.6	H272	H272-K276 PolarHBondContact O-N 3.46Å
277	V	86.4	Confident	91.3	Very high	41 Å²	41	37.5 Å²	37.5	25%	0.248	19%	0.19	C	C	.	.	I	π-helix	trans	-80.7	-46.7	-170.2	176.4	0	0	0	0	112.3	L273 Y382 I490	L273-V277 HydrophobicContact CD2-CB 3.98Å; L273-V277 HydrophobicContact CD2-CG1 4.01Å; L273-V277 HydrophobicContact CD2-CG2 4.03Å; L273-V277 PolarHBondContact O-N 3.16Å; V277-Y382 HydrophobicContact CG1-CE1 4.08Å; V277-I490 HydrophobicContact CG1-CG2 3.55Å; V277-I490 HydrophobicContact CG2-CG2 4.35Å
278	I	89.7	Confident	91.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-83.8	132.6	-177.9	-60.8	171.9	0	0	0	108.7	L273 L274 E282 A284 R333 N352 I354 Y382	L273-I278 HydrophobicContact CB-CD1 4.46Å; L273-I278 WeakPolarHBondContact O-CB 3.48Å; L273-I278 WeakPolarHBondContact O-CG1 3.15Å; L273-I278 PolarHBondContact O-N 3.08Å; L274-I278 HydrophobicContact CD2-CD1 4.32Å; I278-E282 HydrophobicContact CG2-CB 3.95Å; I278-E282 WeakPolarHBondContact CG2-OE2 3.14Å; I278-A284 HydrophobicContact CD1-CB 4.32Å; I278-R333 VanDerWaalsContact CG2-NH2 3.29Å; I278-R333 PolarHBondContact O-NH2 3.41Å; I278-N352 HydrophobicContact CD1-CB 4.26Å; I278-N352 HydrophobicContact CG2-CB 4.42Å; I278-N352 WeakPolarHBondContact CG2-ND2 3.33Å; I278-I354 HydrophobicContact CD1-CD1 3.72Å; I278-I354 HydrophobicContact CD1-CG1 4.3Å; I278-Y382 HydrophobicContact CD1-CD2 4.33Å; I278-Y382 HydrophobicContact CD1-CE2 3.91Å; I278-Y382 HydrophobicContact CG1-CE2 3.9Å
279	H	87.2	Confident	91.4	Very high	113 Å²	113	35.3 Å²	35.3	52%	0.523	18%	0.18	S	C	.	.			trans	-68.1	147.2	-175.7	-167.2	-103.6	0	0	0	112	D281 E282 R333	H279-D281 IonicContact CE1-OD2 2.99Å; H279-D281 PolarHBondContact CE1-OD2 2.79Å; H279-D281 IonicContact ND1-OD2 2.7Å; H279-D281 PolarHBondContact ND1-OD2 3.03Å; H279-D281 PolarHBondContact O-N 3.46Å; H279-D281 VanDerWaalsContact O-N 3.12Å; H279-E282 HydrophobicContact CB-CG 3.96Å; H279-E282 PolarHBondContact N-OE2 2.94Å; H279-E282 WeakPolarHBondContact O-CB 3.29Å; H279-E282 PolarHBondContact O-N 3.15Å; H279-R333 VanDerWaalsContact C-NH2 3.31Å; H279-R333 VanDerWaalsContact O-CZ 3.27Å; H279-R333 PolarHBondContact O-NE 3.38Å; H279-R333 PolarHBondContact O-NH2 2.93Å
280	K	85.6	Confident	91.4	Very high	166 Å²	166	35.9 Å²	35.9	72%	0.722	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.1	-172.7	-71.4	-178	-179.2	175.3	0	113.8	R333	K280-R333 VanDerWaalsContact O-CD 3.22Å; K280-R333 WeakPolarHBondContact O-CD 3.31Å; K280-R333 PolarHBondContact O-NE 3.09Å
281	D	86.4	Confident	91.4	Very high	112 Å²	112	39.5 Å²	39.5	60%	0.599	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.2	178.6	-55.6	-46.7	0	0	0	114.4	H279	H279-D281 IonicContact CE1-OD2 2.99Å; H279-D281 PolarHBondContact CE1-OD2 2.79Å; H279-D281 IonicContact ND1-OD2 2.7Å; H279-D281 PolarHBondContact ND1-OD2 3.03Å; H279-D281 PolarHBondContact O-N 3.46Å; H279-D281 VanDerWaalsContact O-N 3.12Å
282	E	89.5	Confident	91.4	Very high	66 Å²	66	41.3 Å²	41.3	31%	0.308	21%	0.207	S	C	.	.	S	Bend	trans	-85.2	140.9	-177.8	-70	176.2	163.5	0	0	111.9	I278 H279 R333 D351 N352	I278-E282 HydrophobicContact CG2-CB 3.95Å; I278-E282 WeakPolarHBondContact CG2-OE2 3.14Å; H279-E282 HydrophobicContact CB-CG 3.96Å; H279-E282 PolarHBondContact N-OE2 2.94Å; H279-E282 WeakPolarHBondContact O-CB 3.29Å; H279-E282 PolarHBondContact O-N 3.15Å; E282-R333 WeakPolarHBondContact O-CG 3.35Å; E282-R333 PolarHBondContact O-NE 3.37Å; E282-R333 VanDerWaalsContact O-NE 3.08Å; E282-D351 HydrophobicContact CB-CB 4.02Å; E282-D351 HydrophobicContact CG-CB 4.05Å; E282-N352 PolarHBondContact OE2-ND2 3.24Å
283	Q	91.8	Very high	91.5	Very high	13 Å²	13	42.2 Å²	42.2	6%	0.061	21%	0.211	C	C	.	.			trans	-94.8	136.8	179.3	-55.2	-163.3	-98.3	0	0	111.7	F327 R333 D351 N352	Q283-F327 HydrophobicContact CB-CE2 4.11Å; Q283-F327 HydrophobicContact CB-CZ 3.83Å; Q283-F327 PolarHBondContact NE2-O 3.35Å; Q283-R333 WeakPolarHBondContact CA-O 3.45Å; Q283-D351 PolarHBondContact N-OD2 3.27Å; Q283-N352 PolarHBondContact O-N 3.42Å
284	A	93.4	Very high	91.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.4	-176.4	0	0	0	0	0	112.4	L274 I278 R333 V334 L335 N352	L274-A284 HydrophobicContact CD2-CB 4.04Å; I278-A284 HydrophobicContact CD1-CB 4.32Å; A284-R333 PolarHBondContact N-O 3.1Å; A284-V334 WeakPolarHBondContact O-CA 3.46Å; A284-L335 PolarHBondContact O-N 3.2Å; A284-N352 WeakPolarHBondContact CA-O 3.14Å; A284-N352 HydrophobicContact CB-CB 4.21Å
285	V	93.8	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	171.3	174.8	0	0	0	0	110.5	F287 F327 L335 V337 I347 L350 N352 V353 I354	V285-F287 HydrophobicContact CB-CE2 4.48Å; V285-F287 HydrophobicContact CG1-CD2 4.14Å; V285-F287 HydrophobicContact CG1-CE2 3.65Å; V285-F287 HydrophobicContact CG1-CZ 3.97Å; V285-F327 HydrophobicContact CG2-CE1 4.37Å; V285-F327 HydrophobicContact CG2-CZ 3.91Å; V285-L335 WeakPolarHBondContact CA-O 3.34Å; V285-L335 HydrophobicContact CG2-CB 4.15Å; V285-L335 HydrophobicContact CG2-CD2 4.24Å; V285-L335 HydrophobicContact CG2-CG 4.4Å; V285-V337 HydrophobicContact CG1-CG2 3.39Å; V285-I347 HydrophobicContact CG1-CD1 4.3Å; V285-I347 HydrophobicContact CG2-CD1 4.23Å; V285-I347 HydrophobicContact CG2-CG2 4.06Å; V285-L350 HydrophobicContact CB-CD1 3.81Å; V285-L350 HydrophobicContact CG2-CD1 3.42Å; V285-L350 VanDerWaalsContact CG2-CD1 3.42Å; V285-L350 HydrophobicContact CG2-CD2 3.58Å; V285-L350 HydrophobicContact CG2-CG 4.14Å; V285-N352 PolarHBondContact N-O 2.96Å; V285-N352 VanDerWaalsContact N-O 3.14Å; V285-V353 HydrophobicContact CB-CG2 4.31Å; V285-I354 PolarHBondContact O-N 3.32Å
286	V	95.5	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	-177	-167.2	0	0	0	0	110.2	L270 F288 V334 L335 L336 V337 I354 F356	L270-V286 HydrophobicContact CD1-CG1 3.74Å; L270-V286 HydrophobicContact CD1-CG2 4.03Å; L270-V286 HydrophobicContact CD2-CG1 4.16Å; V286-F288 HydrophobicContact CB-CE2 3.82Å; V286-F288 HydrophobicContact CB-CZ 4.33Å; V286-F288 HydrophobicContact CG1-CD2 4.24Å; V286-F288 HydrophobicContact CG1-CE1 4.38Å; V286-F288 HydrophobicContact CG1-CE2 3.45Å; V286-F288 VanDerWaalsContact CG1-CE2 3.45Å; V286-F288 HydrophobicContact CG1-CZ 3.54Å; V286-V334 HydrophobicContact CG2-CG1 3.78Å; V286-L335 PolarHBondContact N-O 2.9Å; V286-L336 HydrophobicContact CB-CD2 3.9Å; V286-L336 HydrophobicContact CG2-CD2 3.91Å; V286-V337 WeakPolarHBondContact O-CG2 3.34Å; V286-V337 PolarHBondContact O-N 3.46Å; V286-I354 WeakPolarHBondContact CA-O 3.3Å; V286-I354 HydrophobicContact CG1-CB 4.31Å; V286-I354 HydrophobicContact CG1-CG2 4.45Å; V286-I354 HydrophobicContact CG2-CB 4.34Å; V286-I354 HydrophobicContact CG2-CD1 4.27Å; V286-F356 HydrophobicContact CG1-CB 3.98Å
287	F	95.4	Very high	92.2	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.6	-178.5	-73.7	-89.7	0	0	0	112.8	V285 V337 A342 V353 I354 F356 H357 R368	V285-F287 HydrophobicContact CB-CE2 4.48Å; V285-F287 HydrophobicContact CG1-CD2 4.14Å; V285-F287 HydrophobicContact CG1-CE2 3.65Å; V285-F287 HydrophobicContact CG1-CZ 3.97Å; F287-V337 WeakPolarHBondContact CA-O 3.43Å; F287-V337 HydrophobicContact CD1-CG2 3.62Å; F287-V337 HydrophobicContact CD2-CG2 4.35Å; F287-V337 HydrophobicContact CE1-CG2 3.69Å; F287-V337 HydrophobicContact CE2-CG2 4.41Å; F287-V337 HydrophobicContact CG-CG2 3.97Å; F287-V337 HydrophobicContact CZ-CG2 4.1Å; F287-A342 HydrophobicContact CE1-CB 3.65Å; F287-A342 HydrophobicContact CZ-CB 4.34Å; F287-V353 HydrophobicContact CD2-CG1 3.96Å; F287-V353 HydrophobicContact CE2-CG1 3.86Å; F287-V353 HydrophobicContact CE2-CG2 4.21Å; F287-I354 PolarHBondContact N-O 3.07Å; F287-F356 PolarHBondContact O-N 2.88Å; F287-H357 PolarHBondContact O-N 3.46Å; F287-R368 HydrophobicContact CD1-CG 3.82Å; F287-R368 HydrophobicContact CD2-CB 4.18Å; F287-R368 HydrophobicContact CD2-CG 4.09Å; F287-R368 HydrophobicContact CE1-CB 4.4Å; F287-R368 HydrophobicContact CE1-CG 3.73Å; F287-R368 HydrophobicContact CE2-CB 3.85Å; F287-R368 HydrophobicContact CE2-CG 4Å; F287-R368 HydrophobicContact CG-CG 4.01Å; F287-R368 HydrophobicContact CZ-CB 3.98Å; F287-R368 HydrophobicContact CZ-CG 3.83Å
288	F	95.4	Very high	92.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.4	175.7	-60.6	-90	0	0	0	112.5	L270 V286 H293 V294 F297 L336 V337 T338 F356 H357	L270-F288 HydrophobicContact CD2-CZ 4.13Å; V286-F288 HydrophobicContact CB-CE2 3.82Å; V286-F288 HydrophobicContact CB-CZ 4.33Å; V286-F288 HydrophobicContact CG1-CD2 4.24Å; V286-F288 HydrophobicContact CG1-CE1 4.38Å; V286-F288 HydrophobicContact CG1-CE2 3.45Å; V286-F288 VanDerWaalsContact CG1-CE2 3.45Å; V286-F288 HydrophobicContact CG1-CZ 3.54Å; F288-H293 HydrophobicContact CB-CB 4.12Å; F288-H293 HydrophobicContact CD1-CB 3.7Å; F288-H293 HydrophobicContact CE1-CB 4.44Å; F288-H293 HydrophobicContact CG-CB 4.12Å; F288-V294 HydrophobicContact CB-CG2 3.9Å; F288-V294 HydrophobicContact CD2-CG2 3.74Å; F288-V294 HydrophobicContact CG-CG2 4.11Å; F288-F297 HydrophobicContact CD1-CD2 4.19Å; F288-F297 HydrophobicContact CD1-CE2 4.44Å; F288-F297 HydrophobicContact CE1-CB 4.31Å; F288-F297 HydrophobicContact CE1-CD1 4.37Å; F288-F297 AromaticContact CE1-CD2 3.34Å; F288-F297 HydrophobicContact CE1-CD2 3.34Å; F288-F297 AromaticContact CE1-CE2 3.61Å; F288-F297 HydrophobicContact CE1-CE2 3.61Å; F288-F297 AromaticContact CE1-CG 3.75Å; F288-F297 HydrophobicContact CE1-CG 3.75Å; F288-F297 HydrophobicContact CE1-CZ 4.23Å; F288-F297 HydrophobicContact CE2-CB 4.47Å; F288-F297 HydrophobicContact CZ-CB 3.82Å; F288-F297 HydrophobicContact CZ-CD1 4.17Å; F288-F297 AromaticContact CZ-CD2 3.74Å; F288-F297 HydrophobicContact CZ-CD2 3.74Å; F288-F297 HydrophobicContact CZ-CE2 4.33Å; F288-F297 AromaticContact CZ-CG 3.63Å; F288-F297 HydrophobicContact CZ-CG 3.63Å; F288-L336 HydrophobicContact CE2-CB 4.08Å; F288-L336 HydrophobicContact CE2-CD2 3.95Å; F288-L336 HydrophobicContact CE2-CG 4.48Å; F288-L336 HydrophobicContact CZ-CD2 4.46Å; F288-V337 PolarHBondContact N-O 2.77Å; F288-T338 WeakPolarHBondContact O-CA 3.31Å; F288-F356 HydrophobicContact CD1-CB 4.17Å; F288-F356 AromaticContact CD1-CD1 3.8Å; F288-F356 HydrophobicContact CD1-CD1 3.8Å; F288-F356 HydrophobicContact CD1-CE1 4.4Å; F288-F356 AromaticContact CD1-CG 3.98Å; F288-F356 HydrophobicContact CD1-CG 3.98Å; F288-F356 HydrophobicContact CE1-CB 3.97Å; F288-F356 AromaticContact CE1-CD1 3.76Å; F288-F356 HydrophobicContact CE1-CD1 3.76Å; F288-F356 AromaticContact CE1-CD2 3.94Å; F288-F356 HydrophobicContact CE1-CD2 3.94Å; F288-F356 HydrophobicContact CE1-CE1 4.23Å; F288-F356 HydrophobicContact CE1-CE2 4.37Å; F288-F356 AromaticContact CE1-CG 3.6Å; F288-F356 HydrophobicContact CE1-CG 3.6Å; F288-F356 HydrophobicContact CZ-CB 4.48Å; F288-F356 HydrophobicContact CZ-CG 4.39Å; F288-H357 AromaticContact CD1-CE1 4Å; F288-H357 AromaticContact CD1-ND1 3.78Å
289	A	92.9	Very high	92.7	Very high	18 Å²	18	40.3 Å²	40.3	15%	0.149	20%	0.195	C	C	.	.	S	Bend	trans	-69.5	-31.4	177.6	0	0	0	0	0	113.8	H357 Y460	A289-H357 HydrophobicContact CB-CB 3.87Å; A289-H357 PolarHBondContact N-ND1 2.89Å; A289-Y460 HydrophobicContact CB-CD1 3.76Å; A289-Y460 HydrophobicContact CB-CD2 4.09Å; A289-Y460 HydrophobicContact CB-CE1 3.59Å; A289-Y460 HydrophobicContact CB-CE2 3.94Å; A289-Y460 HydrophobicContact CB-CG 4.01Å
290	T	93.3	Very high	93	Very high	15 Å²	15	35.5 Å²	35.5	9%	0.092	17%	0.172	C	C	.	.	S	Bend	trans	-130.1	151.7	-174.8	89.7	0	0	0	0	112.2	H292 H293 V294 A456	T290-H292 PolarHBondContact O-N 3.43Å; T290-H292 PolarHBondContact OG1-N 3.32Å; T290-H293 PolarHBondContact O-N 3.07Å; T290-H293 PolarHBondContact OG1-N 2.87Å; T290-H293 PolarHBondContact OG1-ND1 2.96Å; T290-V294 PolarHBondContact O-N 2.61Å; T290-A456 HydrophobicContact CG2-CB 4.16Å
291	K	93.1	Very high	93.4	Very high	77 Å²	77	27.6 Å²	27.6	34%	0.335	14%	0.138	S	C	.	.	H	α-helix	trans	-63	-29.5	176.6	67.7	167.7	-162.2	116.2	0	113.5	V294 E295 H312	K291-V294 WeakPolarHBondContact O-CB 3.22Å; K291-V294 PolarHBondContact O-N 3.25Å; K291-E295 IonicContact NZ-OE1 3.57Å; K291-E295 PolarHBondContact NZ-OE1 2.99Å; K291-E295 IonicContact NZ-OE2 2.66Å; K291-E295 WeakPolarHBondContact O-CG 3.01Å; K291-E295 PolarHBondContact O-N 3.31Å; K291-H312 HydrophobicContact CB-CB 3.78Å
292	H	94.1	Very high	93.7	Very high	48 Å²	48	26.1 Å²	26.1	22%	0.222	13%	0.133	C	C	.	.	H	α-helix	trans	-72.5	-32.8	-176.8	-66.3	-59.2	0	0	0	111.9	T290 E295 S296 M449 V452 C453 A456	T290-H292 PolarHBondContact O-N 3.43Å; T290-H292 PolarHBondContact OG1-N 3.32Å; H292-E295 IonicContact CE1-OE2 3.99Å; H292-E295 IonicContact CG-OE2 2.66Å; H292-E295 IonicContact ND1-OE2 2.67Å; H292-E295 PolarHBondContact ND1-OE2 3.3Å; H292-E295 PolarHBondContact O-N 2.64Å; H292-S296 VanDerWaalsContact O-CB 3.27Å; H292-S296 WeakPolarHBondContact O-CB 3.36Å; H292-S296 PolarHBondContact O-N 3.2Å; H292-M449 HydrophobicContact CB-CE 4.46Å; H292-V452 HydrophobicContact CB-CG1 4.11Å; H292-C453 PolarHBondContact O-SG 2.57Å; H292-C453 VanDerWaalsContact O-SG 3.36Å; H292-A456 HydrophobicContact CB-CB 4.34Å
293	H	94.8	Very high	93.7	Very high	24 Å²	24	26.6 Å²	26.6	11%	0.111	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-41.3	168.5	-68.9	92.2	0	0	0	111	F288 T290 E295 S296 F297 H357 C453	F288-H293 HydrophobicContact CB-CB 4.12Å; F288-H293 HydrophobicContact CD1-CB 3.7Å; F288-H293 HydrophobicContact CE1-CB 4.44Å; F288-H293 HydrophobicContact CG-CB 4.12Å; T290-H293 PolarHBondContact O-N 3.07Å; T290-H293 PolarHBondContact OG1-N 2.87Å; T290-H293 PolarHBondContact OG1-ND1 2.96Å; H293-E295 PolarHBondContact O-N 3.1Å; H293-S296 PolarHBondContact O-N 2.9Å; H293-F297 HydrophobicContact CB-CD2 4.46Å; H293-F297 WeakPolarHBondContact O-CB 3.4Å; H293-F297 WeakPolarHBondContact O-CD2 3.34Å; H293-F297 PolarHBondContact O-N 3.3Å; H293-H357 AromaticContact CD2-CE1 3.9Å; H293-H357 AromaticContact CG-CE1 3.83Å; H293-C453 PolarHBondContact CE1-O 2.84Å
294	V	95.2	Very high	93.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.6	173.2	0	0	0	0	111.6	F288 T290 K291 Q298 C310 L336 T338	F288-V294 HydrophobicContact CB-CG2 3.9Å; F288-V294 HydrophobicContact CD2-CG2 3.74Å; F288-V294 HydrophobicContact CG-CG2 4.11Å; T290-V294 PolarHBondContact O-N 2.61Å; K291-V294 WeakPolarHBondContact O-CB 3.22Å; K291-V294 PolarHBondContact O-N 3.25Å; V294-Q298 WeakPolarHBondContact O-CB 3.31Å; V294-Q298 PolarHBondContact O-N 3.03Å; V294-C310 HydrophobicContact CG1-CB 3.63Å; V294-L336 HydrophobicContact CG1-CB 3.96Å; V294-T338 HydrophobicContact CG2-CG2 3.73Å
295	E	93.8	Very high	93.5	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-48.6	176.2	-67.2	159.1	-175.7	0	0	110.8	K291 H292 H293 Q298 M299 H312 M449	K291-E295 IonicContact NZ-OE1 3.57Å; K291-E295 PolarHBondContact NZ-OE1 2.99Å; K291-E295 IonicContact NZ-OE2 2.66Å; K291-E295 WeakPolarHBondContact O-CG 3.01Å; K291-E295 PolarHBondContact O-N 3.31Å; H292-E295 IonicContact CE1-OE2 3.99Å; H292-E295 IonicContact CG-OE2 2.66Å; H292-E295 IonicContact ND1-OE2 2.67Å; H292-E295 PolarHBondContact ND1-OE2 3.3Å; H292-E295 PolarHBondContact O-N 2.64Å; H293-E295 PolarHBondContact O-N 3.1Å; E295-Q298 PolarHBondContact O-N 3.42Å; E295-M299 PolarHBondContact O-N 3.1Å; E295-H312 IonicContact OE1-CE1 2.72Å; E295-H312 PolarHBondContact OE1-CE1 3.31Å; E295-H312 IonicContact OE1-ND1 3.4Å; E295-H312 IonicContact OE1-NE2 2.98Å; E295-M449 HydrophobicContact CB-CE 3.67Å
296	S	93.8	Very high	93.4	Very high	18 Å²	18	32.8 Å²	32.8	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-39.5	-178.9	-169.6	0	0	0	0	113.9	H292 H293 M299 L300	H292-S296 VanDerWaalsContact O-CB 3.27Å; H292-S296 WeakPolarHBondContact O-CB 3.36Å; H292-S296 PolarHBondContact O-N 3.2Å; H293-S296 PolarHBondContact O-N 2.9Å; S296-M299 PolarHBondContact O-N 3.34Å; S296-L300 PolarHBondContact O-N 2.64Å; S296-L300 VanDerWaalsContact O-N 3.12Å
297	F	94.9	Very high	93.2	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.035	21%	0.206	C	C	.	.	H	α-helix	trans	-75.5	-27.2	178.3	-90.2	-85.8	0	0	0	112.7	N267 L270 F288 H293 M299 L300 L301 L336 F356	N267-F297 HydrophobicContact CB-CZ 4.32Å; N267-F297 WeakPolarHBondContact OD1-CZ 3.45Å; L270-F297 HydrophobicContact CD2-CD1 3.62Å; L270-F297 HydrophobicContact CD2-CE1 3.55Å; L270-F297 HydrophobicContact CD2-CZ 4.4Å; F288-F297 HydrophobicContact CD1-CD2 4.19Å; F288-F297 HydrophobicContact CD1-CE2 4.44Å; F288-F297 HydrophobicContact CE1-CB 4.31Å; F288-F297 HydrophobicContact CE1-CD1 4.37Å; F288-F297 AromaticContact CE1-CD2 3.34Å; F288-F297 HydrophobicContact CE1-CD2 3.34Å; F288-F297 AromaticContact CE1-CE2 3.61Å; F288-F297 HydrophobicContact CE1-CE2 3.61Å; F288-F297 AromaticContact CE1-CG 3.75Å; F288-F297 HydrophobicContact CE1-CG 3.75Å; F288-F297 HydrophobicContact CE1-CZ 4.23Å; F288-F297 HydrophobicContact CE2-CB 4.47Å; F288-F297 HydrophobicContact CZ-CB 3.82Å; F288-F297 HydrophobicContact CZ-CD1 4.17Å; F288-F297 AromaticContact CZ-CD2 3.74Å; F288-F297 HydrophobicContact CZ-CD2 3.74Å; F288-F297 HydrophobicContact CZ-CE2 4.33Å; F288-F297 AromaticContact CZ-CG 3.63Å; F288-F297 HydrophobicContact CZ-CG 3.63Å; H293-F297 HydrophobicContact CB-CD2 4.46Å; H293-F297 WeakPolarHBondContact O-CB 3.4Å; H293-F297 WeakPolarHBondContact O-CD2 3.34Å; H293-F297 PolarHBondContact O-N 3.3Å; F297-M299 VanDerWaalsContact C-N 3.31Å; F297-L300 HydrophobicContact CD1-CD2 4.29Å; F297-L300 HydrophobicContact CE1-CD2 4.16Å; F297-L301 WeakPolarHBondContact O-CB 3.49Å; F297-L301 VanDerWaalsContact O-CG 3.28Å; F297-L301 WeakPolarHBondContact O-CG 3.48Å; F297-L301 PolarHBondContact O-N 3.16Å; F297-L336 HydrophobicContact CB-CD1 4.04Å; F297-F356 AromaticContact CE1-CE2 3.98Å; F297-F356 HydrophobicContact CE1-CE2 3.98Å; F297-F356 HydrophobicContact CE1-CZ 4.43Å; F297-F356 HydrophobicContact CE2-CE1 4.26Å; F297-F356 HydrophobicContact CE2-CE2 4.05Å; F297-F356 AromaticContact CE2-CZ 3.76Å; F297-F356 HydrophobicContact CE2-CZ 3.76Å; F297-F356 HydrophobicContact CZ-CD2 4.29Å; F297-F356 HydrophobicContact CZ-CE1 4.34Å; F297-F356 AromaticContact CZ-CE2 3.38Å; F297-F356 HydrophobicContact CZ-CE2 3.38Å; F297-F356 AromaticContact CZ-CZ 3.42Å; F297-F356 HydrophobicContact CZ-CZ 3.42Å; F297-F356 VanDerWaalsContact CZ-CZ 3.42Å
298	Q	94.7	Very high	93.1	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.318	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-45.5	171.1	-176.3	-173.5	-4.2	0	0	110.4	V294 E295 T302 C310 L336	V294-Q298 WeakPolarHBondContact O-CB 3.31Å; V294-Q298 PolarHBondContact O-N 3.03Å; E295-Q298 PolarHBondContact O-N 3.42Å; Q298-T302 VanDerWaalsContact O-CB 3.3Å; Q298-T302 WeakPolarHBondContact O-CB 3.44Å; Q298-T302 PolarHBondContact O-N 2.91Å; Q298-T302 PolarHBondContact O-OG1 3.25Å; Q298-C310 PolarHBondContact OE1-SG 2.84Å; Q298-L336 HydrophobicContact CB-CD1 3.96Å
299	M	92.7	Very high	93	Very high	60 Å²	60	36.1 Å²	36.1	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-56	176.8	-63.1	-179	66.6	0	0	110.9	E295 S296 F297 L301 T302 D303 S445 L446	E295-M299 PolarHBondContact O-N 3.1Å; S296-M299 PolarHBondContact O-N 3.34Å; F297-M299 VanDerWaalsContact C-N 3.31Å; M299-L301 VanDerWaalsContact C-N 3.32Å; M299-L301 PolarHBondContact O-N 3.23Å; M299-T302 WeakPolarHBondContact O-CB 3.4Å; M299-T302 PolarHBondContact O-N 3.05Å; M299-D303 PolarHBondContact O-N 2.86Å; M299-S445 VanDerWaalsContact CE-CB 3.42Å; M299-L446 HydrophobicContact CB-CD2 3.57Å
300	L	92.9	Very high	93.1	Very high	11 Å²	11	36 Å²	36	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-42.1	-178.8	178.2	64.2	0	0	0	113.1	S296 F297 L304 I436 I439 L446	S296-L300 PolarHBondContact O-N 2.64Å; S296-L300 VanDerWaalsContact O-N 3.12Å; F297-L300 HydrophobicContact CD1-CD2 4.29Å; F297-L300 HydrophobicContact CE1-CD2 4.16Å; L300-L304 HydrophobicContact CD1-CD1 4.18Å; L300-L304 HydrophobicContact CG-CD1 4.11Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å; L300-L304 VanDerWaalsContact O-CG 3.28Å; L300-L304 WeakPolarHBondContact O-CG 3.2Å; L300-L304 PolarHBondContact O-N 2.57Å; L300-L304 VanDerWaalsContact O-N 3.09Å; L300-I436 HydrophobicContact CD1-CG2 4.29Å; L300-I436 HydrophobicContact CD2-CG2 4.27Å; L300-I439 HydrophobicContact CD1-CG2 4.24Å; L300-L446 HydrophobicContact CB-CD1 4.36Å; L300-L446 HydrophobicContact CB-CD2 4.23Å; L300-L446 HydrophobicContact CD1-CD1 4.09Å
301	L	93.7	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-73.2	-30.2	178.6	-70.7	174.7	0	0	0	112.6	V271 L274 F297 M299 L304 G305 F306 L336	V271-L301 HydrophobicContact CG2-CD2 4.2Å; L274-L301 HydrophobicContact CD1-CD1 3.99Å; L274-L301 HydrophobicContact CD1-CD2 3.89Å; F297-L301 WeakPolarHBondContact O-CB 3.49Å; F297-L301 VanDerWaalsContact O-CG 3.28Å; F297-L301 WeakPolarHBondContact O-CG 3.48Å; F297-L301 PolarHBondContact O-N 3.16Å; M299-L301 VanDerWaalsContact C-N 3.32Å; M299-L301 PolarHBondContact O-N 3.23Å; L301-L304 PolarHBondContact O-N 2.89Å; L301-G305 PolarHBondContact O-N 2.74Å; L301-F306 HydrophobicContact CB-CB 4.2Å; L301-F306 HydrophobicContact CD2-CB 4.49Å; L301-F306 HydrophobicContact CD2-CD2 3.76Å; L301-F306 HydrophobicContact CD2-CE2 4.32Å; L301-F306 HydrophobicContact CD2-CG 4.32Å; L301-F306 WeakPolarHBondContact O-CB 3.36Å; L301-F306 PolarHBondContact O-N 3Å; L301-L336 HydrophobicContact CD1-CD1 4.21Å; L301-L336 HydrophobicContact CD1-CD2 3.79Å
302	T	92.8	Very high	93	Very high	81 Å²	81	32.3 Å²	32.3	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-69	-44.3	173.6	-58.3	0	0	0	0	110.8	Q298 M299 L304 G305	Q298-T302 VanDerWaalsContact O-CB 3.3Å; Q298-T302 WeakPolarHBondContact O-CB 3.44Å; Q298-T302 PolarHBondContact O-N 2.91Å; Q298-T302 PolarHBondContact O-OG1 3.25Å; M299-T302 WeakPolarHBondContact O-CB 3.4Å; M299-T302 PolarHBondContact O-N 3.05Å; T302-L304 PolarHBondContact O-N 3.19Å; T302-G305 PolarHBondContact O-N 3.11Å
303	D	90.5	Very high	92.5	Very high	77 Å²	77	33.7 Å²	33.7	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-32	176	-63	-7.8	0	0	0	111.6	M299 G305 I439 N443	M299-D303 PolarHBondContact O-N 2.86Å; D303-G305 VanDerWaalsContact C-N 3.29Å; D303-G305 PolarHBondContact O-N 3.27Å; D303-I439 HydrophobicContact CB-CG2 4Å; D303-N443 PolarHBondContact OD2-ND2 3.16Å
304	L	90.7	Very high	92	Very high	33 Å²	33	35.3 Å²	35.3	17%	0.173	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1	172.4	-73.7	167.8	0	0	0	114.5	V271 L300 L301 T302 F306 I439	V271-L304 HydrophobicContact CB-CD1 4.44Å; V271-L304 HydrophobicContact CG1-CD1 3.93Å; V271-L304 HydrophobicContact CG2-CD1 3.57Å; L300-L304 HydrophobicContact CD1-CD1 4.18Å; L300-L304 HydrophobicContact CG-CD1 4.11Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å; L300-L304 VanDerWaalsContact O-CG 3.28Å; L300-L304 WeakPolarHBondContact O-CG 3.2Å; L300-L304 PolarHBondContact O-N 2.57Å; L300-L304 VanDerWaalsContact O-N 3.09Å; L301-L304 PolarHBondContact O-N 2.89Å; T302-L304 PolarHBondContact O-N 3.19Å; L304-F306 HydrophobicContact CB-CD2 3.69Å; L304-F306 HydrophobicContact CB-CE2 3.86Å; L304-F306 HydrophobicContact CD1-CE2 4.44Å; L304-I439 HydrophobicContact CD2-CD1 3.45Å; L304-I439 VanDerWaalsContact CD2-CD1 3.45Å; L304-I439 HydrophobicContact CG-CD1 4.13Å
305	G	90	Very high	91.5	Very high	68 Å²	68	36.9 Å²	36.9	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	12.9	177.9	0	0	0	0	0	116	L301 T302 D303	L301-G305 PolarHBondContact O-N 2.74Å; T302-G305 PolarHBondContact O-N 3.11Å; D303-G305 VanDerWaalsContact C-N 3.29Å; D303-G305 PolarHBondContact O-N 3.27Å
306	F	90.9	Very high	91.1	Very high	41 Å²	41	39.4 Å²	39.4	18%	0.18	26%	0.257	C	S	.	.			trans	-86	121	176.7	-65.7	-79.9	0	0	0	112	V271 L274 L301 L304 C308	V271-F306 HydrophobicContact CG1-CE2 4.22Å; L274-F306 HydrophobicContact CB-CD1 4.35Å; L274-F306 HydrophobicContact CB-CE1 4.02Å; L274-F306 HydrophobicContact CB-CZ 4.36Å; L301-F306 HydrophobicContact CB-CB 4.2Å; L301-F306 HydrophobicContact CD2-CB 4.49Å; L301-F306 HydrophobicContact CD2-CD2 3.76Å; L301-F306 HydrophobicContact CD2-CE2 4.32Å; L301-F306 HydrophobicContact CD2-CG 4.32Å; L301-F306 WeakPolarHBondContact O-CB 3.36Å; L301-F306 PolarHBondContact O-N 3Å; L304-F306 HydrophobicContact CB-CD2 3.69Å; L304-F306 HydrophobicContact CB-CE2 3.86Å; L304-F306 HydrophobicContact CD1-CE2 4.44Å; F306-C308 PolarHBondContact O-N 2.71Å
307	G	91.1	Very high	90.5	Very high	42 Å²	42	40.3 Å²	40.3	43%	0.433	26%	0.262	S	S	.	.			trans	-63.7	93.3	173.5	0	0	0	0	0	112.7	A332 R333 V334	G307-A332 CarbonylContact O-C 3.56Å; G307-R333 PolarHBondContact O-N 2.98Å; G307-V334 PolarHBondContact O-N 3.4Å
308	C	94	Very high	90.1	Very high	18 Å²	18	43.8 Å²	43.8	12%	0.122	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.2	-175.9	67.9	0	0	0	0	113.6	F306 V334	F306-C308 PolarHBondContact O-N 2.71Å; C308-V334 CarbonylContact C-O 3.58Å; C308-V334 VanDerWaalsContact CA-O 3.24Å; C308-V334 WeakPolarHBondContact CA-O 3.46Å; C308-V334 HydrophobicContact CB-CB 4.01Å
309	T	94	Very high	89.8	Confident	12 Å²	12	42.3 Å²	42.3	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.2	171.1	46.6	0	0	0	0	110.4	K326 A332 V334 L335 L336	T309-K326 HydrophobicContact CG2-CB 3.94Å; T309-K326 HydrophobicContact CG2-CD 4.13Å; T309-A332 HydrophobicContact CG2-CB 3.48Å; T309-A332 VanDerWaalsContact CG2-CB 3.48Å; T309-V334 PolarHBondContact N-O 3.3Å; T309-L335 WeakPolarHBondContact O-CA 3.47Å; T309-L336 PolarHBondContact O-N 3.31Å
310	C	94.1	Very high	89.6	Confident	14 Å²	14	40.7 Å²	40.7	10%	0.095	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.1	-177.3	71	0	0	0	0	112.2	V294 Q298 L315 L336	V294-C310 HydrophobicContact CG1-CB 3.63Å; Q298-C310 PolarHBondContact OE1-SG 2.84Å; C310-L315 WeakPolarHBondContact O-CD2 3.25Å; C310-L336 CarbonylContact C-O 3.57Å; C310-L336 WeakPolarHBondContact CA-O 3.1Å
311	I	92.3	Very high	89.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	110.2	170.3	-66.3	175.2	0	0	0	109.2	R320 A323 L324 L335 L336 V337 A341	I311-R320 HydrophobicContact CD1-CG 4.37Å; I311-R320 HydrophobicContact CG1-CG 4.41Å; I311-R320 HydrophobicContact CG2-CG 3.96Å; I311-A323 HydrophobicContact CD1-CB 4.37Å; I311-A323 HydrophobicContact CG1-CB 3.95Å; I311-L324 HydrophobicContact CD1-CD1 4.23Å; I311-L324 HydrophobicContact CD1-CD2 3.54Å; I311-L324 HydrophobicContact CD1-CG 3.54Å; I311-L335 HydrophobicContact CB-CD1 4.29Å; I311-L335 HydrophobicContact CD1-CD1 3.71Å; I311-L335 HydrophobicContact CD1-CD2 4.27Å; I311-L335 HydrophobicContact CG1-CD1 3.79Å; I311-L336 PolarHBondContact N-O 2.79Å; I311-V337 HydrophobicContact CB-CG1 4.06Å; I311-V337 WeakPolarHBondContact O-CA 3.27Å; I311-A341 HydrophobicContact CG2-CB 3.81Å; I311-A341 WeakPolarHBondContact O-CB 3.5Å
312	H	91.3	Very high	89	Confident	15 Å²	15	48.2 Å²	48.2	7%	0.069	32%	0.317	C	S	.	.			trans	-128.7	169.1	169.5	55.2	100.7	0	0	0	111.5	K291 E295 G314 L315 R320 T338 A341	K291-H312 HydrophobicContact CB-CB 3.78Å; E295-H312 IonicContact OE1-CE1 2.72Å; E295-H312 PolarHBondContact OE1-CE1 3.31Å; E295-H312 IonicContact OE1-ND1 3.4Å; E295-H312 IonicContact OE1-NE2 2.98Å; H312-G314 PolarHBondContact O-N 3.1Å; H312-L315 WeakPolarHBondContact CD2-CD1 3.48Å; H312-L315 VanDerWaalsContact CE1-CD1 3.45Å; H312-L315 WeakPolarHBondContact CE1-CD1 3.36Å; H312-L315 WeakPolarHBondContact NE2-CD1 3.45Å; H312-L315 PolarHBondContact O-N 2.84Å; H312-L315 VanDerWaalsContact O-N 3.17Å; H312-R320 PolarHBondContact O-NH2 2.93Å; H312-R320 VanDerWaalsContact O-NH2 3.09Å; H312-T338 HydrophobicContact CB-CG2 4.49Å; H312-A341 VanDerWaalsContact CA-CB 3.49Å
313	S	83.6	Confident	88.9	Confident	76 Å²	76	44.8 Å²	44.8	53%	0.531	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.7	-176.9	52.3	0	0	0	0	114
314	G	84.4	Confident	88.8	Confident	58 Å²	58	41.7 Å²	41.7	60%	0.598	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.2	177.2	0	0	0	0	0	115.2	H312	H312-G314 PolarHBondContact O-N 3.1Å
315	L	85.8	Confident	88.8	Confident	33 Å²	33	47.2 Å²	47.2	17%	0.173	30%	0.304	C	S	.	.	S	Bend	trans	-72.2	141.3	172.1	-97.7	67.9	0	0	0	110.8	C310 H312 A319 R320	C310-L315 WeakPolarHBondContact O-CD2 3.25Å; H312-L315 WeakPolarHBondContact CD2-CD1 3.48Å; H312-L315 VanDerWaalsContact CE1-CD1 3.45Å; H312-L315 WeakPolarHBondContact CE1-CD1 3.36Å; H312-L315 WeakPolarHBondContact NE2-CD1 3.45Å; H312-L315 PolarHBondContact O-N 2.84Å; H312-L315 VanDerWaalsContact O-N 3.17Å; L315-A319 HydrophobicContact CD2-CB 4.26Å; L315-A319 HydrophobicContact CG-CB 4.34Å; L315-R320 PolarHBondContact O-NH2 3.02Å
316	D	85.9	Confident	88.9	Confident	93 Å²	93	48.8 Å²	48.8	50%	0.497	29%	0.291	S	S	.	.			trans	-59.1	145	165.4	-173.7	78.1	0	0	0	111.1	S318 A319 R320	D316-S318 PolarHBondContact O-N 2.98Å; D316-S318 VanDerWaalsContact OD2-CB 3.26Å; D316-S318 WeakPolarHBondContact OD2-CB 3.1Å; D316-S318 PolarHBondContact OD2-N 3.25Å; D316-S318 PolarHBondContact OD2-OG 3.19Å; D316-A319 HydrophobicContact CB-CB 4.41Å; D316-A319 PolarHBondContact O-N 2.99Å; D316-A319 VanDerWaalsContact O-N 3.16Å; D316-R320 PolarHBondContact O-N 3.06Å
317	P	80.8	Confident	88.9	Confident	37 Å²	37	46.8 Å²	46.8	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-32.2	177.9	-27.2	36.8	0	0	0	114.6	N321	P317-N321 WeakPolarHBondContact O-CB 3.5Å; P317-N321 VanDerWaalsContact O-CG 3.31Å; P317-N321 PolarHBondContact O-N 3.17Å; P317-N321 PolarHBondContact O-ND2 2.67Å
318	S	85.8	Confident	88.8	Confident	81 Å²	81	50.7 Å²	50.7	57%	0.566	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-47.7	175.4	65.6	0	0	0	0	111.5	D316 R320 N321 L322	D316-S318 PolarHBondContact O-N 2.98Å; D316-S318 VanDerWaalsContact OD2-CB 3.26Å; D316-S318 WeakPolarHBondContact OD2-CB 3.1Å; D316-S318 PolarHBondContact OD2-N 3.25Å; D316-S318 PolarHBondContact OD2-OG 3.19Å; S318-R320 PolarHBondContact O-N 3.21Å; S318-N321 PolarHBondContact O-N 3.03Å; S318-L322 PolarHBondContact O-N 3.13Å
319	A	89.3	Confident	88.6	Confident	38 Å²	38	53.3 Å²	53.3	31%	0.314	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-39.2	175.8	0	0	0	0	0	112.1	L315 D316 L322 A323	L315-A319 HydrophobicContact CD2-CB 4.26Å; L315-A319 HydrophobicContact CG-CB 4.34Å; D316-A319 HydrophobicContact CB-CB 4.41Å; D316-A319 PolarHBondContact O-N 2.99Å; D316-A319 VanDerWaalsContact O-N 3.16Å; A319-L322 PolarHBondContact O-N 3.28Å; A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 2.97Å
320	R	86.9	Confident	88.4	Confident	25 Å²	25	59.8 Å²	59.8	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-45.2	173.3	-176.6	176.3	-61.2	131.5	15.1	111.6	E120 I311 H312 L315 D316 S318 A323 L324	E120-R320 WeakPolarHBondContact OE1-CD 3.36Å; E120-R320 IonicContact OE1-CZ 3.25Å; E120-R320 IonicContact OE1-NE 3.71Å; E120-R320 IonicContact OE1-NH1 2.89Å; E120-R320 PolarHBondContact OE1-NH1 3.28Å; I311-R320 HydrophobicContact CD1-CG 4.37Å; I311-R320 HydrophobicContact CG1-CG 4.41Å; I311-R320 HydrophobicContact CG2-CG 3.96Å; H312-R320 PolarHBondContact O-NH2 2.93Å; H312-R320 VanDerWaalsContact O-NH2 3.09Å; L315-R320 PolarHBondContact O-NH2 3.02Å; D316-R320 PolarHBondContact O-N 3.06Å; S318-R320 PolarHBondContact O-N 3.21Å; R320-A323 PolarHBondContact O-N 3.46Å; R320-L324 HydrophobicContact CG-CD1 4.29Å; R320-L324 WeakPolarHBondContact O-CG 3.3Å; R320-L324 PolarHBondContact O-N 3.47Å
321	N	84.6	Confident	88.2	Confident	72 Å²	72	64.1 Å²	64.1	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-36.8	175.9	-74.6	-24.6	0	0	0	112.2	P317 S318 L324 K325	P317-N321 WeakPolarHBondContact O-CB 3.5Å; P317-N321 VanDerWaalsContact O-CG 3.31Å; P317-N321 PolarHBondContact O-N 3.17Å; P317-N321 PolarHBondContact O-ND2 2.67Å; S318-N321 PolarHBondContact O-N 3.03Å; N321-L324 PolarHBondContact O-N 2.95Å; N321-K325 WeakPolarHBondContact O-CG 3.35Å; N321-K325 PolarHBondContact O-N 2.89Å
322	L	90.8	Very high	88.1	Confident	97 Å²	97	64.2 Å²	64.2	51%	0.508	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-43.2	175	-177.6	62.3	0	0	0	112.1	S318 A319 L324 K325 K326	S318-L322 PolarHBondContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 3.28Å; L322-L324 VanDerWaalsContact C-N 3.3Å; L322-L324 PolarHBondContact O-N 3.22Å; L322-K325 PolarHBondContact O-N 2.8Å; L322-K326 WeakPolarHBondContact O-CG 3.28Å; L322-K326 PolarHBondContact O-N 3.45Å
323	A	91	Very high	88.2	Confident	10 Å²	10	65.6 Å²	65.6	8%	0.083	36%	0.357	C	S	.	.	H	α-helix	trans	-59.5	-41.6	173.8	0	0	0	0	0	111.4	I311 A319 R320 K326 F327	I311-A323 HydrophobicContact CD1-CB 4.37Å; I311-A323 HydrophobicContact CG1-CB 3.95Å; A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 2.97Å; R320-A323 PolarHBondContact O-N 3.46Å; A323-K326 PolarHBondContact O-N 3.34Å; A323-F327 PolarHBondContact O-N 3.34Å
324	L	88.4	Confident	88.7	Confident	12 Å²	12	62 Å²	62	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-38.7	174.3	-72	163.8	0	0	0	113.4	I311 R320 N321 L322 F327 R328 L335 V345	I311-L324 HydrophobicContact CD1-CD1 4.23Å; I311-L324 HydrophobicContact CD1-CD2 3.54Å; I311-L324 HydrophobicContact CD1-CG 3.54Å; R320-L324 HydrophobicContact CG-CD1 4.29Å; R320-L324 WeakPolarHBondContact O-CG 3.3Å; R320-L324 PolarHBondContact O-N 3.47Å; N321-L324 PolarHBondContact O-N 2.95Å; L322-L324 VanDerWaalsContact C-N 3.3Å; L322-L324 PolarHBondContact O-N 3.22Å; L324-F327 PolarHBondContact O-N 3.2Å; L324-R328 WeakPolarHBondContact O-CB 3.48Å; L324-R328 VanDerWaalsContact O-CG 3.23Å; L324-R328 WeakPolarHBondContact O-CG 3.26Å; L324-R328 PolarHBondContact O-N 2.81Å; L324-L335 HydrophobicContact CD2-CD2 4.46Å; L324-V345 HydrophobicContact CD1-CG1 3.53Å; L324-V345 HydrophobicContact CD1-CG2 4.37Å; L324-V345 HydrophobicContact CD2-CG1 3.31Å; L324-V345 HydrophobicContact CG-CG1 4.01Å
325	K	89.7	Confident	89.1	Confident	149 Å²	149	59.2 Å²	59.2	65%	0.648	30%	0.304	S	S	*	.	H	α-helix	trans	-60.2	-50.2	172.8	-77.1	179.6	177.4	-171.5	0	110.5	N321 L322 F327 R328 S329	N321-K325 WeakPolarHBondContact O-CG 3.35Å; N321-K325 PolarHBondContact O-N 2.89Å; L322-K325 PolarHBondContact O-N 2.8Å; K325-F327 VanDerWaalsContact C-N 3.29Å; K325-F327 PolarHBondContact O-N 2.73Å; K325-R328 PolarHBondContact O-N 3.31Å; K325-R328 VanDerWaalsContact O-N 3.17Å; K325-S329 WeakPolarHBondContact O-CB 3.42Å; K325-S329 PolarHBondContact O-N 3.31Å; K325-S329 PolarHBondContact O-OG 3.04Å
326	K	92.6	Very high	89.6	Confident	100 Å²	100	57.7 Å²	57.7	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-36.7	176.9	-73.4	-176	176.7	-169.4	0	113.4	T309 L322 A323 S329 T331 A332	T309-K326 HydrophobicContact CG2-CB 3.94Å; T309-K326 HydrophobicContact CG2-CD 4.13Å; L322-K326 WeakPolarHBondContact O-CG 3.28Å; L322-K326 PolarHBondContact O-N 3.45Å; A323-K326 PolarHBondContact O-N 3.34Å; K326-S329 WeakPolarHBondContact CA-OG 3.23Å; K326-S329 PolarHBondContact O-OG 3.43Å; K326-T331 WeakPolarHBondContact O-CB 3.3Å; K326-T331 PolarHBondContact O-N 3.46Å; K326-T331 VanDerWaalsContact O-N 3.07Å; K326-A332 PolarHBondContact O-N 3.33Å
327	F	90.9	Very high	90	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-73.2	-45	174.7	-173.4	-105.9	0	0	0	111.8	Q283 V285 A323 L324 K325 S329 R330 A332 L335 I347 P348 L350	Q283-F327 HydrophobicContact CB-CE2 4.11Å; Q283-F327 HydrophobicContact CB-CZ 3.83Å; Q283-F327 PolarHBondContact NE2-O 3.35Å; V285-F327 HydrophobicContact CG2-CE1 4.37Å; V285-F327 HydrophobicContact CG2-CZ 3.91Å; A323-F327 PolarHBondContact O-N 3.34Å; L324-F327 PolarHBondContact O-N 3.2Å; K325-F327 VanDerWaalsContact C-N 3.29Å; K325-F327 PolarHBondContact O-N 2.73Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 2.79Å; F327-R330 PolarHBondContact O-N 3.06Å; F327-A332 WeakPolarHBondContact CD2-O 3.26Å; F327-L335 HydrophobicContact CB-CD2 4.49Å; F327-L335 HydrophobicContact CD1-CB 4.47Å; F327-L335 HydrophobicContact CD1-CD2 3.88Å; F327-L335 HydrophobicContact CD2-CB 3.48Å; F327-L335 VanDerWaalsContact CD2-CB 3.48Å; F327-L335 HydrophobicContact CD2-CD2 4.33Å; F327-L335 HydrophobicContact CD2-CG 4.48Å; F327-L335 HydrophobicContact CE1-CD2 4.14Å; F327-L335 HydrophobicContact CE2-CB 3.49Å; F327-L335 VanDerWaalsContact CE2-CB 3.49Å; F327-L335 HydrophobicContact CG-CB 3.98Å; F327-L335 HydrophobicContact CG-CD2 3.97Å; F327-L335 HydrophobicContact CZ-CB 4.03Å; F327-L335 HydrophobicContact CZ-CD2 4.45Å; F327-I347 HydrophobicContact CD1-CG2 4.31Å; F327-I347 HydrophobicContact CE1-CG2 3.69Å; F327-P348 HydrophobicContact CD1-CG 4.12Å; F327-P348 HydrophobicContact CE1-CG 4.03Å; F327-L350 HydrophobicContact CE1-CD2 3.73Å; F327-L350 HydrophobicContact CZ-CD2 3.64Å
328	R	88.8	Confident	90.6	Very high	124 Å²	124	52 Å²	52	47%	0.468	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-34.6	177.4	-73.5	170.6	179.8	-146.1	-4.1	113.1	L324 K325 R330 D346 P348	L324-R328 WeakPolarHBondContact O-CB 3.48Å; L324-R328 VanDerWaalsContact O-CG 3.23Å; L324-R328 WeakPolarHBondContact O-CG 3.26Å; L324-R328 PolarHBondContact O-N 2.81Å; K325-R328 PolarHBondContact O-N 3.31Å; K325-R328 VanDerWaalsContact O-N 3.17Å; R328-R330 PolarHBondContact O-N 2.88Å; R328-D346 IonicContact CZ-OD2 2.78Å; R328-D346 IonicContact NH1-OD2 3.36Å; R328-D346 VanDerWaalsContact NH2-CG 3.33Å; R328-D346 PolarHBondContact NH2-O 3.31Å; R328-D346 IonicContact NH2-OD2 2.8Å; R328-D346 PolarHBondContact NH2-OD2 2.79Å; R328-P348 HydrophobicContact CG-CG 4.01Å
329	S	89.5	Confident	90.6	Very high	72 Å²	72	49 Å²	49	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.7	174.5	62.2	0	0	0	0	113.8	K325 K326 F327 T331	K325-S329 WeakPolarHBondContact O-CB 3.42Å; K325-S329 PolarHBondContact O-N 3.31Å; K325-S329 PolarHBondContact O-OG 3.04Å; K326-S329 WeakPolarHBondContact CA-OG 3.23Å; K326-S329 PolarHBondContact O-OG 3.43Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 2.79Å; S329-T331 PolarHBondContact O-N 2.83Å; S329-T331 PolarHBondContact OG-OG1 2.78Å
330	R	89.2	Confident	90.1	Very high	149 Å²	149	51.5 Å²	51.5	56%	0.562	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	5.8	-174.4	-60.6	-178	168.4	-169.4	-7.5	115.7	F327 R328 A332	F327-R330 PolarHBondContact O-N 3.06Å; R328-R330 PolarHBondContact O-N 2.88Å; R330-A332 PolarHBondContact O-N 3.33Å
331	T	90.1	Very high	89.7	Confident	104 Å²	104	50.7 Å²	50.7	64%	0.638	25%	0.251	S	S	*	.	S	Bend	trans	-60.3	-29.2	173.3	-45.3	0	0	0	0	111.7	K326 S329	K326-T331 WeakPolarHBondContact O-CB 3.3Å; K326-T331 PolarHBondContact O-N 3.46Å; K326-T331 VanDerWaalsContact O-N 3.07Å; S329-T331 PolarHBondContact O-N 2.83Å; S329-T331 PolarHBondContact OG-OG1 2.78Å
332	A	91.4	Very high	89.4	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	23%	0.232	C	C	.	.			trans	-116.8	125.6	164.2	0	0	0	0	0	110	G307 T309 K326 F327 R330	G307-A332 CarbonylContact O-C 3.56Å; T309-A332 HydrophobicContact CG2-CB 3.48Å; T309-A332 VanDerWaalsContact CG2-CB 3.48Å; K326-A332 PolarHBondContact O-N 3.33Å; F327-A332 WeakPolarHBondContact CD2-O 3.26Å; R330-A332 PolarHBondContact O-N 3.33Å
333	R	91.9	Very high	88.7	Confident	43 Å²	43	45.4 Å²	45.4	16%	0.162	22%	0.219	C	C	.	.	S	Bend	trans	-80.5	-32.7	178.4	-176.1	-176.4	168.7	-139.7	-8.4	112	L274 I278 H279 K280 E282 Q283 A284 G307	L274-R333 PolarHBondContact O-NH1 3.48Å; I278-R333 VanDerWaalsContact CG2-NH2 3.29Å; I278-R333 PolarHBondContact O-NH2 3.41Å; H279-R333 VanDerWaalsContact C-NH2 3.31Å; H279-R333 VanDerWaalsContact O-CZ 3.27Å; H279-R333 PolarHBondContact O-NE 3.38Å; H279-R333 PolarHBondContact O-NH2 2.93Å; K280-R333 VanDerWaalsContact O-CD 3.22Å; K280-R333 WeakPolarHBondContact O-CD 3.31Å; K280-R333 PolarHBondContact O-NE 3.09Å; E282-R333 WeakPolarHBondContact O-CG 3.35Å; E282-R333 PolarHBondContact O-NE 3.37Å; E282-R333 VanDerWaalsContact O-NE 3.08Å; Q283-R333 WeakPolarHBondContact CA-O 3.45Å; A284-R333 PolarHBondContact N-O 3.1Å; G307-R333 PolarHBondContact O-N 2.98Å
334	V	94.4	Very high	87.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.2	-174.2	-170.8	0	0	0	0	110.6	L274 A284 V286 G307 C308 T309 L336	L274-V334 HydrophobicContact CD1-CG1 4.16Å; L274-V334 HydrophobicContact CD1-CG2 4.28Å; L274-V334 HydrophobicContact CD2-CG1 4.14Å; L274-V334 HydrophobicContact CD2-CG2 3.76Å; A284-V334 WeakPolarHBondContact O-CA 3.46Å; V286-V334 HydrophobicContact CG2-CG1 3.78Å; G307-V334 PolarHBondContact O-N 3.4Å; C308-V334 CarbonylContact C-O 3.58Å; C308-V334 VanDerWaalsContact CA-O 3.24Å; C308-V334 WeakPolarHBondContact CA-O 3.46Å; C308-V334 HydrophobicContact CB-CB 4.01Å; T309-V334 PolarHBondContact N-O 3.3Å; V334-L336 HydrophobicContact CG1-CD2 3.76Å
335	L	94.1	Very high	86.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	112.8	176.3	168.6	59.6	0	0	0	110.8	A284 V285 V286 T309 I311 L324 F327 V337 I347	A284-L335 PolarHBondContact O-N 3.2Å; V285-L335 WeakPolarHBondContact CA-O 3.34Å; V285-L335 HydrophobicContact CG2-CB 4.15Å; V285-L335 HydrophobicContact CG2-CD2 4.24Å; V285-L335 HydrophobicContact CG2-CG 4.4Å; V286-L335 PolarHBondContact N-O 2.9Å; T309-L335 WeakPolarHBondContact O-CA 3.47Å; I311-L335 HydrophobicContact CB-CD1 4.29Å; I311-L335 HydrophobicContact CD1-CD1 3.71Å; I311-L335 HydrophobicContact CD1-CD2 4.27Å; I311-L335 HydrophobicContact CG1-CD1 3.79Å; L324-L335 HydrophobicContact CD2-CD2 4.46Å; F327-L335 HydrophobicContact CB-CD2 4.49Å; F327-L335 HydrophobicContact CD1-CB 4.47Å; F327-L335 HydrophobicContact CD1-CD2 3.88Å; F327-L335 HydrophobicContact CD2-CB 3.48Å; F327-L335 VanDerWaalsContact CD2-CB 3.48Å; F327-L335 HydrophobicContact CD2-CD2 4.33Å; F327-L335 HydrophobicContact CD2-CG 4.48Å; F327-L335 HydrophobicContact CE1-CD2 4.14Å; F327-L335 HydrophobicContact CE2-CB 3.49Å; F327-L335 VanDerWaalsContact CE2-CB 3.49Å; F327-L335 HydrophobicContact CG-CB 3.98Å; F327-L335 HydrophobicContact CG-CD2 3.97Å; F327-L335 HydrophobicContact CZ-CB 4.03Å; F327-L335 HydrophobicContact CZ-CD2 4.45Å; L335-V337 HydrophobicContact CD1-CG1 4.03Å; L335-V337 HydrophobicContact CD2-CG1 4.32Å; L335-V337 HydrophobicContact CG-CG1 3.85Å; L335-I347 HydrophobicContact CD2-CD1 3.96Å; L335-I347 HydrophobicContact CD2-CG1 4.38Å; L335-I347 HydrophobicContact CD2-CG2 4.45Å
336	L	95.5	Very high	86.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.6	-179.2	-47.5	179.7	0	0	0	109.7	V286 F288 V294 F297 Q298 L301 T309 C310 I311 V334	V286-L336 HydrophobicContact CB-CD2 3.9Å; V286-L336 HydrophobicContact CG2-CD2 3.91Å; F288-L336 HydrophobicContact CE2-CB 4.08Å; F288-L336 HydrophobicContact CE2-CD2 3.95Å; F288-L336 HydrophobicContact CE2-CG 4.48Å; F288-L336 HydrophobicContact CZ-CD2 4.46Å; V294-L336 HydrophobicContact CG1-CB 3.96Å; F297-L336 HydrophobicContact CB-CD1 4.04Å; Q298-L336 HydrophobicContact CB-CD1 3.96Å; L301-L336 HydrophobicContact CD1-CD1 4.21Å; L301-L336 HydrophobicContact CD1-CD2 3.79Å; T309-L336 PolarHBondContact O-N 3.31Å; C310-L336 CarbonylContact C-O 3.57Å; C310-L336 WeakPolarHBondContact CA-O 3.1Å; I311-L336 PolarHBondContact N-O 2.79Å; V334-L336 HydrophobicContact CG1-CD2 3.76Å
337	V	94	Very high	85.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.7	-172	-73.5	0	0	0	0	113.1	V285 V286 F287 F288 I311 L335 A342	V285-V337 HydrophobicContact CG1-CG2 3.39Å; V286-V337 WeakPolarHBondContact O-CG2 3.34Å; V286-V337 PolarHBondContact O-N 3.46Å; F287-V337 WeakPolarHBondContact CA-O 3.43Å; F287-V337 HydrophobicContact CD1-CG2 3.62Å; F287-V337 HydrophobicContact CD2-CG2 4.35Å; F287-V337 HydrophobicContact CE1-CG2 3.69Å; F287-V337 HydrophobicContact CE2-CG2 4.41Å; F287-V337 HydrophobicContact CG-CG2 3.97Å; F287-V337 HydrophobicContact CZ-CG2 4.1Å; F288-V337 PolarHBondContact N-O 2.77Å; I311-V337 HydrophobicContact CB-CG1 4.06Å; I311-V337 WeakPolarHBondContact O-CA 3.27Å; L335-V337 HydrophobicContact CD1-CG1 4.03Å; L335-V337 HydrophobicContact CD2-CG1 4.32Å; L335-V337 HydrophobicContact CG-CG1 3.85Å; V337-A342 HydrophobicContact CB-CB 4.13Å; V337-A342 HydrophobicContact CG1-CB 4.42Å; V337-A342 HydrophobicContact CG2-CB 4.26Å
338	T	93	Very high	84.3	Confident	9 Å²	9	38.5 Å²	38.5	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	155.1	159.1	64.9	0	0	0	0	110.8	F288 V294 H312 V340 A341 A342	F288-T338 WeakPolarHBondContact O-CA 3.31Å; V294-T338 HydrophobicContact CG2-CG2 3.73Å; H312-T338 HydrophobicContact CB-CG2 4.49Å; T338-V340 PolarHBondContact O-N 2.82Å; T338-A341 PolarHBondContact O-N 3.25Å; T338-A341 WeakPolarHBondContact OG1-CB 3.37Å; T338-A341 PolarHBondContact OG1-N 3.32Å; T338-A342 WeakPolarHBondContact O-CB 3.46Å; T338-A342 PolarHBondContact O-N 3.32Å
339	D	86.8	Confident	83.7	Confident	20 Å²	20	37 Å²	37	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-52.2	-42.1	177.5	-68	-65.5	0	0	0	113.3	A341 R343 L364 R368	D339-A341 VanDerWaalsContact C-N 3.28Å; D339-A341 PolarHBondContact O-N 2.89Å; D339-R343 WeakPolarHBondContact O-CB 3.41Å; D339-R343 WeakPolarHBondContact O-CG 3.45Å; D339-R343 PolarHBondContact O-N 3.49Å; D339-L364 HydrophobicContact CB-CD1 4.21Å; D339-L364 HydrophobicContact CB-CD2 4.42Å; D339-R368 IonicContact OD1-CZ 3.64Å; D339-R368 IonicContact OD1-NE 2.68Å; D339-R368 PolarHBondContact OD1-NE 2.66Å; D339-R368 IonicContact OD1-NH2 3.8Å; D339-R368 PolarHBondContact OD1-NH2 3.04Å; D339-R368 IonicContact OD2-CZ 3.76Å; D339-R368 IonicContact OD2-NE 3.7Å; D339-R368 IonicContact OD2-NH2 2.74Å; D339-R368 PolarHBondContact OD2-NH2 3.2Å
340	V	78.9	Confident	83.5	Confident	90 Å²	90	33.7 Å²	33.7	55%	0.545	17%	0.171	S	C	.	.	H	α-helix	trans	-63.6	-35.1	-179.9	179.5	0	0	0	0	111.6	T338	T338-V340 PolarHBondContact O-N 2.82Å
341	A	78.2	Confident	83.5	Confident	7 Å²	7	27.3 Å²	27.3	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-94.8	-24.4	-176.1	0	0	0	0	0	113.4	I311 H312 T338 D339 R343 V345	I311-A341 HydrophobicContact CG2-CB 3.81Å; I311-A341 WeakPolarHBondContact O-CB 3.5Å; H312-A341 VanDerWaalsContact CA-CB 3.49Å; T338-A341 PolarHBondContact O-N 3.25Å; T338-A341 WeakPolarHBondContact OG1-CB 3.37Å; T338-A341 PolarHBondContact OG1-N 3.32Å; D339-A341 VanDerWaalsContact C-N 3.28Å; D339-A341 PolarHBondContact O-N 2.89Å; A341-R343 VanDerWaalsContact C-N 3.32Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å
342	A	77.9	Confident	83.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-73	-25.5	170.7	0	0	0	0	0	112.5	F287 V337 T338 G344 V345 R371	F287-A342 HydrophobicContact CE1-CB 3.65Å; F287-A342 HydrophobicContact CZ-CB 4.34Å; V337-A342 HydrophobicContact CB-CB 4.13Å; V337-A342 HydrophobicContact CG1-CB 4.42Å; V337-A342 HydrophobicContact CG2-CB 4.26Å; T338-A342 WeakPolarHBondContact O-CB 3.46Å; T338-A342 PolarHBondContact O-N 3.32Å; A342-G344 PolarHBondContact O-N 3.05Å; A342-V345 PolarHBondContact O-N 2.8Å; A342-R371 PolarHBondContact O-NH1 3.48Å; A342-R371 PolarHBondContact O-NH2 2.83Å
343	R	76.4	Confident	83.8	Confident	58 Å²	58	22.3 Å²	22.3	22%	0.219	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	118.7	177	-98.9	173.6	170.9	152	-1.2	111	R194 E197 D339 A341 V345	R194-R343 VanDerWaalsContact CZ-C 3.49Å; R194-R343 PolarHBondContact NH2-O 2.95Å; E197-R343 IonicContact OE2-CZ 3.66Å; E197-R343 IonicContact OE2-NE 2.76Å; E197-R343 IonicContact OE2-NH2 3.85Å; E197-R343 PolarHBondContact OE2-NH2 2.88Å; D339-R343 WeakPolarHBondContact O-CB 3.41Å; D339-R343 WeakPolarHBondContact O-CG 3.45Å; D339-R343 PolarHBondContact O-N 3.49Å; A341-R343 VanDerWaalsContact C-N 3.32Å; R343-V345 PolarHBondContact O-N 3.46Å
344	G	66.8	Low	84	Confident	10 Å²	10	20.3 Å²	20.3	10%	0.103	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-5.7	175.2	0	0	0	0	0	115.4	E120 L121 Q124 R194 A342 D346	E120-G344 VanDerWaalsContact CB-O 3.29Å; E120-G344 WeakPolarHBondContact CB-O 3.47Å; L121-G344 PolarHBondContact N-O 3.24Å; Q124-G344 PolarHBondContact NE2-O 3.46Å; R194-G344 VanDerWaalsContact CZ-N 3.34Å; A342-G344 PolarHBondContact O-N 3.05Å; G344-D346 PolarHBondContact O-N 3.2Å
345	V	74.2	Confident	84	Confident	8 Å²	8	20.2 Å²	20.2	5%	0.048	11%	0.109	C	C	.	.			trans	-76.8	117.6	165.9	170.1	0	0	0	0	108.6	E120 L324 A341 A342 R343 I347 R371	E120-V345 HydrophobicContact CB-CG2 4.5Å; E120-V345 HydrophobicContact CG-CG2 4.1Å; L324-V345 HydrophobicContact CD1-CG1 3.53Å; L324-V345 HydrophobicContact CD1-CG2 4.37Å; L324-V345 HydrophobicContact CD2-CG1 3.31Å; L324-V345 HydrophobicContact CG-CG1 4.01Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å; A342-V345 PolarHBondContact O-N 2.8Å; R343-V345 PolarHBondContact O-N 3.46Å; V345-I347 HydrophobicContact CG1-CG1 3.79Å; V345-I347 PolarHBondContact O-N 2.78Å; V345-R371 PolarHBondContact O-NH1 2.77Å
346	D	72.7	Confident	84.1	Confident	66 Å²	66	20.5 Å²	20.5	35%	0.353	11%	0.111	S	C	.	.			trans	-68.6	94.4	167.1	172.5	42.8	0	0	0	109.2	Q124 R328 G344	Q124-D346 VanDerWaalsContact CD-CB 3.42Å; Q124-D346 HydrophobicContact CG-CB 4.13Å; R328-D346 IonicContact CZ-OD2 2.78Å; R328-D346 IonicContact NH1-OD2 3.36Å; R328-D346 VanDerWaalsContact NH2-CG 3.33Å; R328-D346 PolarHBondContact NH2-O 3.31Å; R328-D346 IonicContact NH2-OD2 2.8Å; R328-D346 PolarHBondContact NH2-OD2 2.79Å; G344-D346 PolarHBondContact O-N 3.2Å
347	I	76.4	Confident	84.1	Confident	8 Å²	8	20.9 Å²	20.9	4%	0.041	11%	0.113	C	C	.	.			trans	-84.8	129.8	168	-55.9	-173.7	0	0	0	106.4	V285 F327 L335 V345 L350	V285-I347 HydrophobicContact CG1-CD1 4.3Å; V285-I347 HydrophobicContact CG2-CD1 4.23Å; V285-I347 HydrophobicContact CG2-CG2 4.06Å; F327-I347 HydrophobicContact CD1-CG2 4.31Å; F327-I347 HydrophobicContact CE1-CG2 3.69Å; L335-I347 HydrophobicContact CD2-CD1 3.96Å; L335-I347 HydrophobicContact CD2-CG1 4.38Å; L335-I347 HydrophobicContact CD2-CG2 4.45Å; V345-I347 HydrophobicContact CG1-CG1 3.79Å; V345-I347 PolarHBondContact O-N 2.78Å; I347-L350 HydrophobicContact CG2-CD1 4.05Å; I347-L350 HydrophobicContact CG2-CD2 3.62Å; I347-L350 HydrophobicContact CG2-CG 3.93Å
348	P	71	Confident	84.1	Confident	34 Å²	34	20.9 Å²	20.9	22%	0.221	11%	0.112	C	C	.	.			trans	-58.3	167.2	178	27.7	-37.5	0	0	0	111.7	F327 R328 L350	F327-P348 HydrophobicContact CD1-CG 4.12Å; F327-P348 HydrophobicContact CE1-CG 4.03Å; R328-P348 HydrophobicContact CG-CG 4.01Å; P348-L350 WeakPolarHBondContact O-CG 3.48Å; P348-L350 PolarHBondContact O-N 3.21Å
349	H	74.5	Confident	84.1	Confident	93 Å²	93	20.5 Å²	20.5	43%	0.431	11%	0.11	S	C	.	.			trans	-47.5	113.3	176.6	-64.6	76.8	0	0	0	110.8	R374	H349-R374 WeakPolarHBondContact CD2-CB 3.3Å
350	L	86	Confident	84.3	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.01	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-92.6	141.7	-177	-65.1	177.9	0	0	0	110.9	V285 F327 I347 P348 V353 R371 V372	V285-L350 HydrophobicContact CB-CD1 3.81Å; V285-L350 HydrophobicContact CG2-CD1 3.42Å; V285-L350 VanDerWaalsContact CG2-CD1 3.42Å; V285-L350 HydrophobicContact CG2-CD2 3.58Å; V285-L350 HydrophobicContact CG2-CG 4.14Å; F327-L350 HydrophobicContact CE1-CD2 3.73Å; F327-L350 HydrophobicContact CZ-CD2 3.64Å; I347-L350 HydrophobicContact CG2-CD1 4.05Å; I347-L350 HydrophobicContact CG2-CD2 3.62Å; I347-L350 HydrophobicContact CG2-CG 3.93Å; P348-L350 WeakPolarHBondContact O-CG 3.48Å; P348-L350 PolarHBondContact O-N 3.21Å; L350-V353 HydrophobicContact CD1-CG2 3.62Å; L350-R371 HydrophobicContact CD1-CB 3.87Å; L350-V372 HydrophobicContact CB-CG2 3.92Å
351	D	89.8	Confident	84.6	Confident	16 Å²	16	20.1 Å²	20.1	9%	0.086	10%	0.104	C	C	.	.	S	Bend	trans	-81.2	-41.7	168.1	-47.6	-54.9	0	0	0	109.6	E282 Q283 V372 R377 G379 V380	E282-D351 HydrophobicContact CB-CB 4.02Å; E282-D351 HydrophobicContact CG-CB 4.05Å; Q283-D351 PolarHBondContact N-OD2 3.27Å; D351-V372 WeakPolarHBondContact O-CG1 3.5Å; D351-R377 IonicContact OD1-CZ 3.89Å; D351-R377 IonicContact OD1-NE 2.82Å; D351-R377 IonicContact OD1-NH2 3.83Å; D351-R377 PolarHBondContact OD1-NH2 2.97Å; D351-R377 IonicContact OD2-NH2 3.29Å; D351-G379 CarbonylContact O-C 3.6Å; D351-G379 WeakPolarHBondContact O-CA 3.39Å; D351-V380 PolarHBondContact O-N 3.07Å
352	N	93.3	Very high	85	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.1	-172.9	-64.2	-73.4	0	0	0	114.1	I278 E282 Q283 A284 V285 V380 Y382	I278-N352 HydrophobicContact CD1-CB 4.26Å; I278-N352 HydrophobicContact CG2-CB 4.42Å; I278-N352 WeakPolarHBondContact CG2-ND2 3.33Å; E282-N352 PolarHBondContact OE2-ND2 3.24Å; Q283-N352 PolarHBondContact O-N 3.42Å; A284-N352 WeakPolarHBondContact CA-O 3.14Å; A284-N352 HydrophobicContact CB-CB 4.21Å; V285-N352 PolarHBondContact N-O 2.96Å; V285-N352 VanDerWaalsContact N-O 3.14Å; N352-V380 WeakPolarHBondContact CA-O 3.23Å; N352-Y382 HydrophobicContact CB-CE2 4.36Å; N352-Y382 WeakPolarHBondContact OD1-CE2 3.49Å
353	V	93.7	Very high	85.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.1	167.6	156.9	0	0	0	0	109.8	V285 F287 L350 V372 V380 A381 Y382	V285-V353 HydrophobicContact CB-CG2 4.31Å; F287-V353 HydrophobicContact CD2-CG1 3.96Å; F287-V353 HydrophobicContact CE2-CG1 3.86Å; F287-V353 HydrophobicContact CE2-CG2 4.21Å; L350-V353 HydrophobicContact CD1-CG2 3.62Å; V353-V372 HydrophobicContact CB-CG2 3.69Å; V353-V372 HydrophobicContact CG2-CG2 3.36Å; V353-V380 PolarHBondContact N-O 2.93Å; V353-A381 CarbonylContact O-C 3.51Å; V353-A381 WeakPolarHBondContact O-CA 3.35Å; V353-Y382 PolarHBondContact O-N 3.26Å
354	I	95.7	Very high	85.5	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.4	176.5	-50.3	179.6	0	0	0	109.3	L270 L273 L274 I278 V285 V286 F287 F356 Y382	L270-I354 HydrophobicContact CD1-CB 4.44Å; L270-I354 HydrophobicContact CD1-CD1 3.76Å; L270-I354 HydrophobicContact CD1-CG2 3.85Å; L273-I354 HydrophobicContact CB-CD1 4.43Å; L273-I354 HydrophobicContact CD1-CG2 4.47Å; L274-I354 HydrophobicContact CD2-CD1 3.92Å; L274-I354 HydrophobicContact CG-CD1 4.36Å; I278-I354 HydrophobicContact CD1-CD1 3.72Å; I278-I354 HydrophobicContact CD1-CG1 4.3Å; V285-I354 PolarHBondContact O-N 3.32Å; V286-I354 WeakPolarHBondContact CA-O 3.3Å; V286-I354 HydrophobicContact CG1-CB 4.31Å; V286-I354 HydrophobicContact CG1-CG2 4.45Å; V286-I354 HydrophobicContact CG2-CB 4.34Å; V286-I354 HydrophobicContact CG2-CD1 4.27Å; F287-I354 PolarHBondContact N-O 3.07Å; I354-F356 PolarHBondContact O-N 3.2Å; I354-Y382 CarbonylContact C-O 3.59Å; I354-Y382 WeakPolarHBondContact CA-O 3.5Å; I354-Y382 HydrophobicContact CG1-CD2 4.16Å
355	N	96.3	Very high	86.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	93.9	166.9	-61.6	-61.5	0	0	0	108.7	R368 Y382 S383 L384	N355-R368 WeakPolarHBondContact OD1-CD 3.37Å; N355-R368 PolarHBondContact OD1-NH1 2.8Å; N355-Y382 PolarHBondContact N-O 3.06Å; N355-S383 PolarHBondContact ND2-OG 3.13Å; N355-L384 PolarHBondContact O-N 3.4Å
356	F	96.1	Very high	86.9	Confident	5 Å²	5	24.2 Å²	24.2	2%	0.022	12%	0.124	C	C	.	.	S	Bend	trans	-73	-43.1	174.8	-177.9	-75.9	0	0	0	111.4	K266 N267 L270 V286 F287 F288 F297 I354 L384	K266-F356 HydrophobicContact CB-CD2 4.44Å; K266-F356 HydrophobicContact CB-CE1 4.12Å; K266-F356 HydrophobicContact CB-CE2 3.71Å; K266-F356 HydrophobicContact CB-CZ 3.52Å; K266-F356 HydrophobicContact CD-CE1 4.26Å; K266-F356 HydrophobicContact CD-CZ 4.48Å; K266-F356 VanDerWaalsContact CE-O 3.29Å; K266-F356 WeakPolarHBondContact CE-O 3.34Å; K266-F356 PolarHBondContact NZ-O 3.23Å; K266-F356 WeakPolarHBondContact O-CE2 3.4Å; N267-F356 WeakPolarHBondContact OD1-CZ 3.42Å; L270-F356 HydrophobicContact CB-CD2 4.02Å; L270-F356 HydrophobicContact CB-CE2 4.15Å; L270-F356 HydrophobicContact CD2-CD2 3.85Å; L270-F356 HydrophobicContact CD2-CE2 4.19Å; L270-F356 HydrophobicContact CG-CD2 4.33Å; V286-F356 HydrophobicContact CG1-CB 3.98Å; F287-F356 PolarHBondContact O-N 2.88Å; F288-F356 HydrophobicContact CD1-CB 4.17Å; F288-F356 AromaticContact CD1-CD1 3.8Å; F288-F356 HydrophobicContact CD1-CD1 3.8Å; F288-F356 HydrophobicContact CD1-CE1 4.4Å; F288-F356 AromaticContact CD1-CG 3.98Å; F288-F356 HydrophobicContact CD1-CG 3.98Å; F288-F356 HydrophobicContact CE1-CB 3.97Å; F288-F356 AromaticContact CE1-CD1 3.76Å; F288-F356 HydrophobicContact CE1-CD1 3.76Å; F288-F356 AromaticContact CE1-CD2 3.94Å; F288-F356 HydrophobicContact CE1-CD2 3.94Å; F288-F356 HydrophobicContact CE1-CE1 4.23Å; F288-F356 HydrophobicContact CE1-CE2 4.37Å; F288-F356 AromaticContact CE1-CG 3.6Å; F288-F356 HydrophobicContact CE1-CG 3.6Å; F288-F356 HydrophobicContact CZ-CB 4.48Å; F288-F356 HydrophobicContact CZ-CG 4.39Å; F297-F356 AromaticContact CE1-CE2 3.98Å; F297-F356 HydrophobicContact CE1-CE2 3.98Å; F297-F356 HydrophobicContact CE1-CZ 4.43Å; F297-F356 HydrophobicContact CE2-CE1 4.26Å; F297-F356 HydrophobicContact CE2-CE2 4.05Å; F297-F356 AromaticContact CE2-CZ 3.76Å; F297-F356 HydrophobicContact CE2-CZ 3.76Å; F297-F356 HydrophobicContact CZ-CD2 4.29Å; F297-F356 HydrophobicContact CZ-CE1 4.34Å; F297-F356 AromaticContact CZ-CE2 3.38Å; F297-F356 HydrophobicContact CZ-CE2 3.38Å; F297-F356 AromaticContact CZ-CZ 3.42Å; F297-F356 HydrophobicContact CZ-CZ 3.42Å; F297-F356 VanDerWaalsContact CZ-CZ 3.42Å; I354-F356 PolarHBondContact O-N 3.2Å; F356-L384 HydrophobicContact CD2-CD1 4.01Å
357	H	94.7	Very high	87.2	Confident	9 Å²	9	23.9 Å²	23.9	4%	0.042	12%	0.12	C	C	.	.	S	Bend	trans	-105.7	126.7	167.3	-68.7	97.3	0	0	0	108.4	F287 F288 A289 H293 R368	F287-H357 PolarHBondContact O-N 3.46Å; F288-H357 AromaticContact CD1-CE1 4Å; F288-H357 AromaticContact CD1-ND1 3.78Å; A289-H357 HydrophobicContact CB-CB 3.87Å; A289-H357 PolarHBondContact N-ND1 2.89Å; H293-H357 AromaticContact CD2-CE1 3.9Å; H293-H357 AromaticContact CG-CE1 3.83Å; H357-R368 PolarHBondContact O-NH1 3.48Å
358	F	94.3	Very high	87.8	Confident	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.119	C	C	.	.			trans	-71	136.8	-177.2	-158.2	-92.5	0	0	0	110.9	F365 V385 E389 Y392 L393 V396	F358-F365 HydrophobicContact CE2-CD2 4.06Å; F358-F365 AromaticContact CE2-CE2 3.94Å; F358-F365 HydrophobicContact CE2-CE2 3.94Å; F358-F365 AromaticContact CZ-CD2 3.85Å; F358-F365 HydrophobicContact CZ-CD2 3.85Å; F358-F365 HydrophobicContact CZ-CE2 4.04Å; F358-V385 HydrophobicContact CD2-CG2 3.75Å; F358-V385 HydrophobicContact CE2-CG2 4.14Å; F358-E389 HydrophobicContact CB-CB 3.86Å; F358-E389 HydrophobicContact CB-CG 4.06Å; F358-E389 WeakPolarHBondContact CB-OE2 3.42Å; F358-E389 PolarHBondContact N-OE1 3.47Å; F358-E389 PolarHBondContact N-OE2 2.95Å; F358-Y392 WeakPolarHBondContact CE1-O 3.43Å; F358-L393 HydrophobicContact CE1-CB 4.33Å; F358-L393 HydrophobicContact CE2-CB 4.5Å; F358-L393 HydrophobicContact CE2-CD1 4.06Å; F358-L393 HydrophobicContact CZ-CB 4.08Å; F358-L393 HydrophobicContact CZ-CD1 3.84Å; F358-V396 HydrophobicContact CE1-CG2 3.91Å; F358-V396 HydrophobicContact CZ-CB 4.39Å; F358-V396 HydrophobicContact CZ-CG2 3.93Å
359	P	92.5	Very high	88.5	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.			trans	-70.9	136.9	-178.1	28	-33.9	0	0	0	111.8	Q361 L364 F365	P359-Q361 PolarHBondContact O-N 2.98Å; P359-Q361 VanDerWaalsContact O-N 3.11Å; P359-L364 HydrophobicContact CB-CB 4.09Å; P359-L364 HydrophobicContact CB-CD2 3.91Å; P359-L364 HydrophobicContact CB-CG 3.96Å; P359-F365 HydrophobicContact CG-CB 3.6Å; P359-F365 HydrophobicContact CG-CD2 3.82Å; P359-F365 HydrophobicContact CG-CG 4.22Å
360	A	90.1	Very high	88.7	Confident	12 Å²	12	19.1 Å²	19.1	10%	0.099	10%	0.103	C	C	.	.	S	Bend	trans	-72.9	-0.2	-177.1	0	0	0	0	0	115.6	Y392 R464 P465	A360-Y392 HydrophobicContact CB-CD1 4.23Å; A360-Y392 HydrophobicContact CB-CE1 4.02Å; A360-Y392 WeakPolarHBondContact O-CD1 3.49Å; A360-R464 HydrophobicContact CB-CG 3.42Å; A360-R464 VanDerWaalsContact CB-CG 3.42Å; A360-P465 HydrophobicContact CB-CG 3.91Å
361	Q	86.5	Confident	88.3	Confident	91 Å²	91	20.5 Å²	20.5	43%	0.425	11%	0.109	S	C	.	.	S	Bend	trans	-144	136	-179	-68.7	-175.1	-4.4	0	0	110.5	P359 K363 L364 F365 P465	P359-Q361 PolarHBondContact O-N 2.98Å; P359-Q361 VanDerWaalsContact O-N 3.11Å; Q361-K363 VanDerWaalsContact C-N 3.25Å; Q361-K363 PolarHBondContact O-N 3.12Å; Q361-L364 HydrophobicContact CB-CB 4.28Å; Q361-L364 WeakPolarHBondContact O-CB 3.48Å; Q361-L364 PolarHBondContact O-N 3.33Å; Q361-F365 PolarHBondContact O-N 3.36Å; Q361-F365 VanDerWaalsContact O-N 3.13Å; Q361-P465 HydrophobicContact CG-CG 4.31Å
362	P	86.2	Confident	88	Confident	28 Å²	28	20 Å²	20	18%	0.182	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-31.1	178.3	-28.3	36.3	0	0	0	114.9	L364 F365 L366 D395 V396 F399	P362-L364 VanDerWaalsContact C-N 3.35Å; P362-F365 WeakPolarHBondContact O-CB 3.5Å; P362-F365 PolarHBondContact O-N 2.73Å; P362-L366 PolarHBondContact O-N 2.7Å; P362-D395 HydrophobicContact CG-CB 3.94Å; P362-D395 WeakPolarHBondContact CG-O 3.49Å; P362-V396 HydrophobicContact CB-CG2 4Å; P362-V396 HydrophobicContact CG-CG2 4.13Å; P362-F399 HydrophobicContact CB-CB 3.62Å; P362-F399 HydrophobicContact CB-CD1 3.66Å; P362-F399 HydrophobicContact CB-CD2 4.41Å; P362-F399 HydrophobicContact CB-CE1 4.46Å; P362-F399 HydrophobicContact CB-CG 3.63Å; P362-F399 HydrophobicContact CG-CB 4.01Å; P362-F399 HydrophobicContact CG-CG 4.42Å
363	K	79.9	Confident	87.2	Confident	69 Å²	69	20.2 Å²	20.2	30%	0.3	11%	0.108	S	C	.	.	H	α-helix	trans	-62.6	-41.2	172.8	-65.3	-177	176.2	-173	0	112.1	T223 Q361 L366 H367	T223-K363 HydrophobicContact CG2-CD 4.29Å; Q361-K363 VanDerWaalsContact C-N 3.25Å; Q361-K363 PolarHBondContact O-N 3.12Å; K363-L366 WeakPolarHBondContact O-CB 3.41Å; K363-L366 PolarHBondContact O-N 3.06Å; K363-H367 PolarHBondContact O-CD2 3.47Å; K363-H367 VanDerWaalsContact O-CG 3.24Å; K363-H367 PolarHBondContact O-N 2.77Å
364	L	84.1	Confident	86.2	Confident	29 Å²	29	23 Å²	23	15%	0.152	12%	0.119	C	C	.	.	H	α-helix	trans	-69.2	-38.8	178.8	-174.2	64.2	0	0	0	111.1	D339 P359 Q361 P362 L366 H367 R368	D339-L364 HydrophobicContact CB-CD1 4.21Å; D339-L364 HydrophobicContact CB-CD2 4.42Å; P359-L364 HydrophobicContact CB-CB 4.09Å; P359-L364 HydrophobicContact CB-CD2 3.91Å; P359-L364 HydrophobicContact CB-CG 3.96Å; Q361-L364 HydrophobicContact CB-CB 4.28Å; Q361-L364 WeakPolarHBondContact O-CB 3.48Å; Q361-L364 PolarHBondContact O-N 3.33Å; P362-L364 VanDerWaalsContact C-N 3.35Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 3.18Å; L364-H367 PolarHBondContact O-N 2.94Å; L364-R368 WeakPolarHBondContact O-CG 3.44Å; L364-R368 PolarHBondContact O-N 2.9Å
365	F	88.7	Confident	84.8	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-53	-51.1	168.8	-176.7	-96.3	0	0	0	111.2	L256 F358 P359 Q361 P362 H367 R368 V369 V396	L256-F365 HydrophobicContact CD1-CE1 3.9Å; L256-F365 HydrophobicContact CD1-CZ 3.95Å; L256-F365 HydrophobicContact CD2-CZ 4.3Å; F358-F365 HydrophobicContact CE2-CD2 4.06Å; F358-F365 AromaticContact CE2-CE2 3.94Å; F358-F365 HydrophobicContact CE2-CE2 3.94Å; F358-F365 AromaticContact CZ-CD2 3.85Å; F358-F365 HydrophobicContact CZ-CD2 3.85Å; F358-F365 HydrophobicContact CZ-CE2 4.04Å; P359-F365 HydrophobicContact CG-CB 3.6Å; P359-F365 HydrophobicContact CG-CD2 3.82Å; P359-F365 HydrophobicContact CG-CG 4.22Å; Q361-F365 PolarHBondContact O-N 3.36Å; Q361-F365 VanDerWaalsContact O-N 3.13Å; P362-F365 WeakPolarHBondContact O-CB 3.5Å; P362-F365 PolarHBondContact O-N 2.73Å; F365-H367 VanDerWaalsContact C-N 3.29Å; F365-H367 PolarHBondContact O-N 3.49Å; F365-R368 PolarHBondContact O-N 2.97Å; F365-V369 HydrophobicContact CD1-CG1 4.32Å; F365-V369 HydrophobicContact CD1-CG2 4.18Å; F365-V369 HydrophobicContact CD2-CG1 4.37Å; F365-V369 HydrophobicContact CE1-CG1 3.91Å; F365-V369 HydrophobicContact CE1-CG2 3.96Å; F365-V369 HydrophobicContact CE2-CG1 3.96Å; F365-V369 HydrophobicContact CZ-CG1 3.71Å; F365-V369 PolarHBondContact O-N 3.46Å; F365-V396 HydrophobicContact CB-CG2 3.89Å; F365-V396 HydrophobicContact CD1-CG1 3.7Å; F365-V396 HydrophobicContact CD1-CG2 4.29Å; F365-V396 HydrophobicContact CD2-CG2 4.42Å; F365-V396 HydrophobicContact CE1-CG1 3.83Å; F365-V396 HydrophobicContact CG-CG1 4.14Å; F365-V396 HydrophobicContact CG-CG2 3.96Å; F365-V396 HydrophobicContact CZ-CG1 4.36Å
366	L	83.2	Confident	83.5	Confident	41 Å²	41	30.4 Å²	30.4	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-39.3	178.6	-163	65.9	0	0	0	112.7	K249 L250 P362 K363 L364 R368 G370 F399	K249-L366 HydrophobicContact CB-CD1 4.45Å; L250-L366 HydrophobicContact CD2-CD1 3.35Å; L250-L366 HydrophobicContact CG-CD1 4.14Å; P362-L366 PolarHBondContact O-N 2.7Å; K363-L366 WeakPolarHBondContact O-CB 3.41Å; K363-L366 PolarHBondContact O-N 3.06Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 3.18Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 2.99Å; L366-G370 WeakPolarHBondContact O-CA 3.21Å; L366-G370 PolarHBondContact O-N 2.83Å; L366-F399 HydrophobicContact CD2-CE1 4.49Å
367	H	79.4	Confident	82.8	Confident	60 Å²	60	35.4 Å²	35.4	28%	0.278	21%	0.205	S	C	.	.	H	α-helix	trans	-70.8	-24	177.1	-63.9	168.6	0	0	0	114.4	K363 L364 F365 R371	K363-H367 PolarHBondContact O-CD2 3.47Å; K363-H367 VanDerWaalsContact O-CG 3.24Å; K363-H367 PolarHBondContact O-N 2.77Å; L364-H367 PolarHBondContact O-N 2.94Å; F365-H367 VanDerWaalsContact C-N 3.29Å; F365-H367 PolarHBondContact O-N 3.49Å; H367-R371 PolarHBondContact O-NE 2.65Å
368	R	87.4	Confident	82.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-79.7	-56.4	172.9	-66.5	-176.4	-177.7	-178.7	2	110.9	F287 D339 N355 H357 L364 F365 L366 G370 R371	F287-R368 HydrophobicContact CD1-CG 3.82Å; F287-R368 HydrophobicContact CD2-CB 4.18Å; F287-R368 HydrophobicContact CD2-CG 4.09Å; F287-R368 HydrophobicContact CE1-CB 4.4Å; F287-R368 HydrophobicContact CE1-CG 3.73Å; F287-R368 HydrophobicContact CE2-CB 3.85Å; F287-R368 HydrophobicContact CE2-CG 4Å; F287-R368 HydrophobicContact CG-CG 4.01Å; F287-R368 HydrophobicContact CZ-CB 3.98Å; F287-R368 HydrophobicContact CZ-CG 3.83Å; D339-R368 IonicContact OD1-CZ 3.64Å; D339-R368 IonicContact OD1-NE 2.68Å; D339-R368 PolarHBondContact OD1-NE 2.66Å; D339-R368 IonicContact OD1-NH2 3.8Å; D339-R368 PolarHBondContact OD1-NH2 3.04Å; D339-R368 IonicContact OD2-CZ 3.76Å; D339-R368 IonicContact OD2-NE 3.7Å; D339-R368 IonicContact OD2-NH2 2.74Å; D339-R368 PolarHBondContact OD2-NH2 3.2Å; N355-R368 WeakPolarHBondContact OD1-CD 3.37Å; N355-R368 PolarHBondContact OD1-NH1 2.8Å; H357-R368 PolarHBondContact O-NH1 3.48Å; L364-R368 WeakPolarHBondContact O-CG 3.44Å; L364-R368 PolarHBondContact O-N 2.9Å; F365-R368 PolarHBondContact O-N 2.97Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 2.99Å; R368-G370 PolarHBondContact O-N 3.09Å; R368-R371 WeakPolarHBondContact O-CB 3.47Å; R368-R371 WeakPolarHBondContact O-CG 3.35Å; R368-R371 PolarHBondContact O-N 3.14Å
369	V	87.1	Confident	82.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.2	-30	-174.3	-52	0	0	0	0	112.5	L250 L254 F365 R371 V372 A381	L250-V369 HydrophobicContact CD2-CG2 3.59Å; L254-V369 HydrophobicContact CD2-CB 4.06Å; L254-V369 HydrophobicContact CD2-CG2 3.92Å; F365-V369 HydrophobicContact CD1-CG1 4.32Å; F365-V369 HydrophobicContact CD1-CG2 4.18Å; F365-V369 HydrophobicContact CD2-CG1 4.37Å; F365-V369 HydrophobicContact CE1-CG1 3.91Å; F365-V369 HydrophobicContact CE1-CG2 3.96Å; F365-V369 HydrophobicContact CE2-CG1 3.96Å; F365-V369 HydrophobicContact CZ-CG1 3.71Å; F365-V369 PolarHBondContact O-N 3.46Å; V369-R371 PolarHBondContact O-N 2.82Å; V369-V372 WeakPolarHBondContact O-CB 3.07Å; V369-V372 PolarHBondContact O-N 3.01Å; V369-A381 HydrophobicContact CB-CB 3.97Å; V369-A381 HydrophobicContact CG1-CB 3.59Å
370	G	78.2	Confident	82.1	Confident	32 Å²	32	44.2 Å²	44.2	33%	0.33	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	10.9	174.9	0	0	0	0	0	115.6	L366 R368 R374	L366-G370 WeakPolarHBondContact O-CA 3.21Å; L366-G370 PolarHBondContact O-N 2.83Å; R368-G370 PolarHBondContact O-N 3.09Å; G370-R374 VanDerWaalsContact O-CZ 3.25Å; G370-R374 PolarHBondContact O-NE 3.26Å; G370-R374 PolarHBondContact O-NH2 3.31Å
371	R	78.1	Confident	82.3	Confident	32 Å²	32	43.7 Å²	43.7	12%	0.121	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-26.4	166.4	-62.2	179	-173.6	-122.3	-6.2	112.4	A342 V345 L350 H367 R368 V369	A342-R371 PolarHBondContact O-NH1 3.48Å; A342-R371 PolarHBondContact O-NH2 2.83Å; V345-R371 PolarHBondContact O-NH1 2.77Å; L350-R371 HydrophobicContact CD1-CB 3.87Å; H367-R371 PolarHBondContact O-NE 2.65Å; R368-R371 WeakPolarHBondContact O-CB 3.47Å; R368-R371 WeakPolarHBondContact O-CG 3.35Å; R368-R371 PolarHBondContact O-N 3.14Å; V369-R371 PolarHBondContact O-N 2.82Å
372	V	83	Confident	82.7	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-84.4	165	173.7	-177.2	0	0	0	0	108.9	L254 L350 D351 V353 V369 R374 G379	L254-V372 HydrophobicContact CD1-CB 3.7Å; L254-V372 HydrophobicContact CD1-CG1 3.55Å; L350-V372 HydrophobicContact CB-CG2 3.92Å; D351-V372 WeakPolarHBondContact O-CG1 3.5Å; V353-V372 HydrophobicContact CB-CG2 3.69Å; V353-V372 HydrophobicContact CG2-CG2 3.36Å; V369-V372 WeakPolarHBondContact O-CB 3.07Å; V369-V372 PolarHBondContact O-N 3.01Å; V372-R374 PolarHBondContact O-N 2.91Å; V372-G379 VanDerWaalsContact CG1-C 3.46Å; V372-G379 VanDerWaalsContact CG1-CA 3.47Å
373	A	76.8	Confident	83.1	Confident	8 Å²	8	38.5 Å²	38.5	7%	0.066	21%	0.212	C	C	.	.	S	Bend	trans	55	46.5	174	0	0	0	0	0	113.8	D253 L254 R377	D253-A373 HydrophobicContact CB-CB 4.22Å; L254-A373 HydrophobicContact CB-CB 3.72Å; L254-A373 HydrophobicContact CD1-CB 4.12Å; A373-R377 VanDerWaalsContact CA-O 3.25Å; A373-R377 WeakPolarHBondContact CA-O 3.35Å
374	R	72.1	Confident	83.8	Confident	58 Å²	58	35.2 Å²	35.2	22%	0.219	20%	0.198	C	C	.	.			trans	-102.7	148.6	176.5	-72.6	-179.3	177.9	-162.8	-3.1	110.4	T86 H349 G370 V372 G376 R377	T86-R374 PolarHBondContact OG1-NH2 2.98Å; H349-R374 WeakPolarHBondContact CD2-CB 3.3Å; G370-R374 VanDerWaalsContact O-CZ 3.25Å; G370-R374 PolarHBondContact O-NE 3.26Å; G370-R374 PolarHBondContact O-NH2 3.31Å; V372-R374 PolarHBondContact O-N 2.91Å; R374-G376 VanDerWaalsContact C-N 3.28Å; R374-G376 PolarHBondContact O-N 3.15Å; R374-R377 PolarHBondContact O-N 3.23Å
375	A	66.3	Low	84.3	Confident	93 Å²	93	33.9 Å²	33.9	77%	0.769	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.6	177	0	0	0	0	0	114.8	R377	A375-R377 VanDerWaalsContact C-N 3.29Å; A375-R377 PolarHBondContact O-N 2.94Å
376	G	69.7	Low	84.4	Confident	64 Å²	64	34.4 Å²	34.4	66%	0.66	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	5.6	177.2	0	0	0	0	0	115.4	R374	R374-G376 VanDerWaalsContact C-N 3.28Å; R374-G376 PolarHBondContact O-N 3.15Å
377	R	80.2	Confident	84.6	Confident	110 Å²	110	33.9 Å²	33.9	42%	0.415	19%	0.192	S	C	.	.			trans	-73.3	142.2	167.3	-63.8	176.3	73.9	101.1	-2.9	109.5	D351 A373 R374 A375	D351-R377 IonicContact OD1-CZ 3.89Å; D351-R377 IonicContact OD1-NE 2.82Å; D351-R377 IonicContact OD1-NH2 3.83Å; D351-R377 PolarHBondContact OD1-NH2 2.97Å; D351-R377 IonicContact OD2-NH2 3.29Å; A373-R377 VanDerWaalsContact CA-O 3.25Å; A373-R377 WeakPolarHBondContact CA-O 3.35Å; R374-R377 PolarHBondContact O-N 3.23Å; A375-R377 VanDerWaalsContact C-N 3.29Å; A375-R377 PolarHBondContact O-N 2.94Å
378	R	86.7	Confident	85	Confident	164 Å²	164	36.5 Å²	36.5	62%	0.619	21%	0.205	S	C	*	.			trans	-73.8	159.8	162.7	-58.7	-167.2	-66.8	167.1	1.4	110	D253 E415	D253-R378 HydrophobicContact CB-CG 4.38Å; D253-R378 WeakPolarHBondContact O-CA 3.33Å; R378-E415 IonicContact CZ-OE1 3.25Å; R378-E415 IonicContact NH1-OE1 3.27Å; R378-E415 PolarHBondContact NH1-OE1 2.97Å; R378-E415 IonicContact NH1-OE2 3.07Å
379	G	88.6	Confident	85.2	Confident	9 Å²	9	36.5 Å²	36.5	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	170.5	168.5	0	0	0	0	0	114.1	D253 K255 D351 V372	D253-G379 PolarHBondContact O-N 2.96Å; D253-G379 VanDerWaalsContact O-N 3.1Å; K255-G379 PolarHBondContact N-O 2.91Å; D351-G379 CarbonylContact O-C 3.6Å; D351-G379 WeakPolarHBondContact O-CA 3.39Å; V372-G379 VanDerWaalsContact CG1-C 3.46Å; V372-G379 VanDerWaalsContact CG1-CA 3.47Å
380	V	91.9	Very high	85.4	Confident	22 Å²	22	36.6 Å²	36.6	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.2	-169.5	-174.7	0	0	0	0	111.9	K255 D351 N352 V353 Y382 W416	K255-V380 WeakPolarHBondContact O-CA 3.37Å; D351-V380 PolarHBondContact O-N 3.07Å; N352-V380 WeakPolarHBondContact CA-O 3.23Å; V353-V380 PolarHBondContact N-O 2.93Å; V380-Y382 HydrophobicContact CB-CD2 4.48Å; V380-Y382 HydrophobicContact CB-CE2 3.85Å; V380-Y382 HydrophobicContact CG1-CD1 4.15Å; V380-Y382 HydrophobicContact CG1-CD2 3.94Å; V380-Y382 HydrophobicContact CG1-CE1 3.79Å; V380-Y382 HydrophobicContact CG1-CE2 3.55Å; V380-Y382 HydrophobicContact CG1-CG 4.22Å; V380-Y382 VanDerWaalsContact CG1-CZ 3.47Å; V380-W416 HydrophobicContact CG1-CH2 3.72Å; V380-W416 HydrophobicContact CG1-CZ2 3.74Å; V380-W416 HydrophobicContact CG2-CH2 4.48Å; V380-W416 HydrophobicContact CG2-CZ2 3.94Å
381	A	94	Very high	86.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	101.4	169.3	0	0	0	0	0	111	L254 K255 L256 A257 V353 V369	L254-A381 HydrophobicContact CD1-CB 4.29Å; K255-A381 PolarHBondContact O-N 3.45Å; L256-A381 HydrophobicContact CD2-CB 3.74Å; A257-A381 PolarHBondContact N-O 3.4Å; V353-A381 CarbonylContact O-C 3.51Å; V353-A381 WeakPolarHBondContact O-CA 3.35Å; V369-A381 HydrophobicContact CB-CB 3.97Å; V369-A381 HydrophobicContact CG1-CB 3.59Å
382	Y	94.9	Very high	86.8	Confident	11 Å²	11	34.8 Å²	34.8	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.1	173.4	-53.5	-88.9	0	0	0	110.1	A257 L273 V277 I278 N352 V353 I354 N355 V380 I490	A257-Y382 HydrophobicContact CB-CD1 3.99Å; A257-Y382 CarbonylContact O-C 3.58Å; L273-Y382 HydrophobicContact CD1-CD1 4.49Å; L273-Y382 HydrophobicContact CD1-CG 4.4Å; L273-Y382 HydrophobicContact CD2-CD1 3.84Å; L273-Y382 HydrophobicContact CD2-CE1 3.96Å; L273-Y382 HydrophobicContact CD2-CG 4.41Å; V277-Y382 HydrophobicContact CG1-CE1 4.08Å; I278-Y382 HydrophobicContact CD1-CD2 4.33Å; I278-Y382 HydrophobicContact CD1-CE2 3.91Å; I278-Y382 HydrophobicContact CG1-CE2 3.9Å; N352-Y382 HydrophobicContact CB-CE2 4.36Å; N352-Y382 WeakPolarHBondContact OD1-CE2 3.49Å; V353-Y382 PolarHBondContact O-N 3.26Å; I354-Y382 CarbonylContact C-O 3.59Å; I354-Y382 WeakPolarHBondContact CA-O 3.5Å; I354-Y382 HydrophobicContact CG1-CD2 4.16Å; N355-Y382 PolarHBondContact N-O 3.06Å; V380-Y382 HydrophobicContact CB-CD2 4.48Å; V380-Y382 HydrophobicContact CB-CE2 3.85Å; V380-Y382 HydrophobicContact CG1-CD1 4.15Å; V380-Y382 HydrophobicContact CG1-CD2 3.94Å; V380-Y382 HydrophobicContact CG1-CE1 3.79Å; V380-Y382 HydrophobicContact CG1-CE2 3.55Å; V380-Y382 HydrophobicContact CG1-CG 4.22Å; V380-Y382 VanDerWaalsContact CG1-CZ 3.47Å; Y382-I490 HydrophobicContact CD1-CD1 4.25Å; Y382-I490 HydrophobicContact CE1-CD1 3.95Å; Y382-I490 HydrophobicContact CE1-CG2 3.9Å
383	S	95.3	Very high	87.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	118.4	176.5	-55.8	0	0	0	0	110.7	A257 I259 N355	A257-S383 PolarHBondContact O-N 2.76Å; I259-S383 PolarHBondContact N-O 3.35Å; N355-S383 PolarHBondContact ND2-OG 3.13Å
384	L	94.9	Very high	87.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.4	173.7	-51.2	-173.2	0	0	0	108.2	I259 K266 I269 L273 N355 F356	I259-L384 HydrophobicContact CB-CD2 4.07Å; I259-L384 HydrophobicContact CD1-CD2 4.13Å; I259-L384 HydrophobicContact CG2-CD2 4.44Å; I259-L384 WeakPolarHBondContact O-CA 3.36Å; K266-L384 HydrophobicContact CB-CD1 4.18Å; K266-L384 HydrophobicContact CD-CB 4.34Å; K266-L384 HydrophobicContact CG-CB 4.14Å; K266-L384 HydrophobicContact CG-CD1 4.25Å; I269-L384 HydrophobicContact CB-CD1 4.42Å; I269-L384 HydrophobicContact CB-CD2 4.32Å; I269-L384 HydrophobicContact CG2-CD1 4.42Å; I269-L384 HydrophobicContact CG2-CD2 3.55Å; L273-L384 HydrophobicContact CD1-CD2 4.12Å; N355-L384 PolarHBondContact O-N 3.4Å; F356-L384 HydrophobicContact CD2-CD1 4.01Å
385	V	93.3	Very high	88.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.8	-169.6	-176.5	0	0	0	0	110.4	I259 T260 C261 F358 E389 L390 L393	I259-V385 PolarHBondContact O-N 3.48Å; T260-V385 WeakPolarHBondContact CA-O 3.47Å; C261-V385 PolarHBondContact N-O 2.93Å; C261-V385 VanDerWaalsContact N-O 3.12Å; F358-V385 HydrophobicContact CD2-CG2 3.75Å; F358-V385 HydrophobicContact CE2-CG2 4.14Å; V385-E389 HydrophobicContact CG1-CB 4.09Å; V385-L390 HydrophobicContact CG1-CB 4.48Å; V385-L393 HydrophobicContact CG1-CB 4.42Å; V385-L393 HydrophobicContact CG1-CD2 4.37Å; V385-L393 HydrophobicContact CG2-CD2 4.26Å
386	D	90.7	Very high	89.9	Confident	13 Å²	13	28.8 Å²	28.8	7%	0.07	15%	0.148	C	C	.	.			trans	-77.1	160.7	172.7	-64.1	-37.6	0	0	0	111.9	P263 K266 E388 E389 L390	P263-D386 VanDerWaalsContact CA-OD1 3.26Å; P263-D386 WeakPolarHBondContact CA-OD1 3.35Å; P263-D386 HydrophobicContact CG-CB 4.29Å; K266-D386 WeakPolarHBondContact CD-OD1 3.24Å; K266-D386 WeakPolarHBondContact CE-OD1 3.3Å; K266-D386 WeakPolarHBondContact CE-OD2 3.34Å; K266-D386 IonicContact NZ-OD1 2.68Å; K266-D386 PolarHBondContact NZ-OD1 3.28Å; K266-D386 IonicContact NZ-OD2 3.97Å; K266-D386 PolarHBondContact NZ-OD2 2.79Å; D386-E388 PolarHBondContact O-N 2.82Å; D386-E389 HydrophobicContact CB-CB 4.32Å; D386-E389 HydrophobicContact CB-CG 4.19Å; D386-E389 PolarHBondContact N-OE2 3.26Å; D386-E389 WeakPolarHBondContact O-CA 3.29Å; D386-E389 PolarHBondContact O-N 3.28Å; D386-L390 PolarHBondContact O-N 2.79Å
387	P	88.2	Confident	90.9	Very high	29 Å²	29	26 Å²	26	19%	0.188	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.7	172.4	-23.3	34.6	0	0	0	114.8	C261 L262 R479	C261-P387 WeakPolarHBondContact O-CD 3.35Å; L262-P387 HydrophobicContact CD2-CG 4.25Å; P387-R479 PolarHBondContact O-NH2 2.9Å
388	E	88.2	Confident	91.2	Very high	116 Å²	116	24.8 Å²	24.8	54%	0.542	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.5	170.7	-61.9	-165.9	166.6	0	0	113.6	D386	D386-E388 PolarHBondContact O-N 2.82Å
389	E	91.7	Very high	91.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-19.9	179.6	-70	-175.6	147.6	0	0	112.5	K266 F358 V385 D386 P391 Y392 L393	K266-E389 IonicContact NZ-OE1 3.51Å; K266-E389 IonicContact NZ-OE2 2.68Å; K266-E389 PolarHBondContact NZ-OE2 2.88Å; F358-E389 HydrophobicContact CB-CB 3.86Å; F358-E389 HydrophobicContact CB-CG 4.06Å; F358-E389 WeakPolarHBondContact CB-OE2 3.42Å; F358-E389 PolarHBondContact N-OE1 3.47Å; F358-E389 PolarHBondContact N-OE2 2.95Å; V385-E389 HydrophobicContact CG1-CB 4.09Å; D386-E389 HydrophobicContact CB-CB 4.32Å; D386-E389 HydrophobicContact CB-CG 4.19Å; D386-E389 PolarHBondContact N-OE2 3.26Å; D386-E389 WeakPolarHBondContact O-CA 3.29Å; D386-E389 PolarHBondContact O-N 3.28Å; E389-P391 VanDerWaalsContact C-N 3.33Å; E389-Y392 WeakPolarHBondContact O-CB 3.26Å; E389-Y392 WeakPolarHBondContact O-CD2 3.4Å; E389-Y392 PolarHBondContact O-N 2.96Å; E389-L393 PolarHBondContact O-N 2.93Å
390	L	90.7	Very high	90.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-44	-43.7	173.6	178.1	70.9	0	0	0	115.3	V385 D386 Y392 L393 L394 W404 A475 L478 H482	V385-L390 HydrophobicContact CG1-CB 4.48Å; D386-L390 PolarHBondContact O-N 2.79Å; L390-Y392 PolarHBondContact O-N 3.36Å; L390-L393 WeakPolarHBondContact O-CB 3.3Å; L390-L393 PolarHBondContact O-N 3.33Å; L390-L393 VanDerWaalsContact O-N 3.11Å; L390-L394 PolarHBondContact O-N 3.02Å; L390-L394 VanDerWaalsContact O-N 3.1Å; L390-W404 HydrophobicContact CD1-CH2 3.47Å; L390-W404 VanDerWaalsContact CD1-CH2 3.47Å; L390-W404 HydrophobicContact CD1-CZ3 3.63Å; L390-A475 HydrophobicContact CB-CB 4.5Å; L390-A475 HydrophobicContact CD2-CB 3.74Å; L390-A475 WeakPolarHBondContact CD2-O 3.46Å; L390-A475 HydrophobicContact CG-CB 3.99Å; L390-L478 HydrophobicContact CD2-CB 3.99Å; L390-H482 WeakPolarHBondContact CD2-CE1 3.47Å
391	P	92.1	Very high	90.3	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-34.1	176.5	-23.1	32.8	0	0	0	113.4	E389 L394 D395 A467 S471 I472 A475	E389-P391 VanDerWaalsContact C-N 3.33Å; P391-L394 PolarHBondContact O-N 2.74Å; P391-D395 PolarHBondContact O-N 2.68Å; P391-D395 VanDerWaalsContact O-N 3.08Å; P391-A467 HydrophobicContact CB-CB 3.55Å; P391-S471 WeakPolarHBondContact O-CB 3.47Å; P391-I472 HydrophobicContact CB-CG1 3.96Å; P391-I472 HydrophobicContact CG-CG1 4.3Å; P391-A475 HydrophobicContact CB-CB 4.23Å; P391-A475 HydrophobicContact CG-CB 3.64Å
392	Y	93.8	Very high	89.7	Confident	13 Å²	13	27.2 Å²	27.2	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-76.7	-29.1	179.6	-56.2	-90.9	0	0	0	111.8	F358 A360 E389 L390 D395 V396 R464 P465 A467	F358-Y392 WeakPolarHBondContact CE1-O 3.43Å; A360-Y392 HydrophobicContact CB-CD1 4.23Å; A360-Y392 HydrophobicContact CB-CE1 4.02Å; A360-Y392 WeakPolarHBondContact O-CD1 3.49Å; E389-Y392 WeakPolarHBondContact O-CB 3.26Å; E389-Y392 WeakPolarHBondContact O-CD2 3.4Å; E389-Y392 PolarHBondContact O-N 2.96Å; L390-Y392 PolarHBondContact O-N 3.36Å; Y392-D395 PolarHBondContact O-N 2.95Å; Y392-V396 WeakPolarHBondContact O-CG2 3.36Å; Y392-V396 PolarHBondContact O-N 3.26Å; Y392-R464 PolarHBondContact OH-NE 3.42Å; Y392-R464 VanDerWaalsContact OH-NE 3.14Å; Y392-R464 PolarHBondContact OH-NH2 3.14Å; Y392-P465 WeakPolarHBondContact CE1-O 3.46Å; Y392-P465 PolarHBondContact OH-O 2.75Å; Y392-P465 VanDerWaalsContact OH-O 3.1Å; Y392-A467 HydrophobicContact CD1-CB 3.84Å; Y392-A467 HydrophobicContact CD2-CB 4.31Å; Y392-A467 HydrophobicContact CE1-CB 3.79Å; Y392-A467 HydrophobicContact CE2-CB 4.23Å; Y392-A467 HydrophobicContact CG-CB 4.12Å
393	L	92.2	Very high	88.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-42	170.5	176.8	61.3	0	0	0	111	H258 F358 V385 E389 L390 V396 F397 W404 V421	H258-L393 HydrophobicContact CB-CD2 4.29Å; H258-L393 VanDerWaalsContact CE1-CD1 3.47Å; H258-L393 WeakPolarHBondContact CE1-CD1 3.25Å; H258-L393 WeakPolarHBondContact ND1-CD1 3.43Å; F358-L393 HydrophobicContact CE1-CB 4.33Å; F358-L393 HydrophobicContact CE2-CB 4.5Å; F358-L393 HydrophobicContact CE2-CD1 4.06Å; F358-L393 HydrophobicContact CZ-CB 4.08Å; F358-L393 HydrophobicContact CZ-CD1 3.84Å; V385-L393 HydrophobicContact CG1-CB 4.42Å; V385-L393 HydrophobicContact CG1-CD2 4.37Å; V385-L393 HydrophobicContact CG2-CD2 4.26Å; E389-L393 PolarHBondContact O-N 2.93Å; L390-L393 WeakPolarHBondContact O-CB 3.3Å; L390-L393 PolarHBondContact O-N 3.33Å; L390-L393 VanDerWaalsContact O-N 3.11Å; L393-V396 WeakPolarHBondContact O-CA 3.33Å; L393-V396 WeakPolarHBondContact O-CB 3.47Å; L393-V396 PolarHBondContact O-N 2.85Å; L393-V396 VanDerWaalsContact O-N 3.1Å; L393-F397 HydrophobicContact CD1-CD2 4.19Å; L393-F397 HydrophobicContact CD1-CE1 4.28Å; L393-F397 HydrophobicContact CD1-CE2 3.69Å; L393-F397 HydrophobicContact CD1-CZ 3.75Å; L393-F397 HydrophobicContact CD2-CE2 3.86Å; L393-F397 HydrophobicContact CD2-CZ 4.34Å; L393-F397 HydrophobicContact CG-CD2 3.98Å; L393-F397 HydrophobicContact CG-CE2 3.55Å; L393-F397 HydrophobicContact CG-CZ 4.11Å; L393-F397 PolarHBondContact O-N 3.35Å; L393-W404 HydrophobicContact CD2-CH2 4.38Å; L393-W404 HydrophobicContact CD2-CZ3 3.82Å; L393-W404 HydrophobicContact CG-CZ3 4.4Å; L393-V421 HydrophobicContact CD2-CG2 4.46Å
394	L	91	Very high	88.2	Confident	14 Å²	14	35.1 Å²	35.1	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-40.6	174.4	-64.8	174.7	0	0	0	112	L390 P391 V396 F397 M398 W404 S471 R474 A475 L478	L390-L394 PolarHBondContact O-N 3.02Å; L390-L394 VanDerWaalsContact O-N 3.1Å; P391-L394 PolarHBondContact O-N 2.74Å; L394-V396 VanDerWaalsContact C-N 3.26Å; L394-V396 PolarHBondContact O-N 3.05Å; L394-F397 PolarHBondContact O-N 3.44Å; L394-M398 WeakPolarHBondContact O-CG 3.2Å; L394-M398 PolarHBondContact O-N 3.03Å; L394-W404 HydrophobicContact CD2-CD2 4.45Å; L394-W404 HydrophobicContact CD2-CE3 3.59Å; L394-W404 HydrophobicContact CD2-CZ3 3.98Å; L394-S471 WeakPolarHBondContact CB-OG 3.43Å; L394-R474 HydrophobicContact CD1-CB 3.85Å; L394-A475 HydrophobicContact CD1-CB 4.05Å; L394-L478 HydrophobicContact CD1-CD1 4.26Å; L394-L478 HydrophobicContact CD2-CD1 4.08Å
395	D	91.2	Very high	87.6	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-35.2	171.6	-75.3	-9.4	0	0	0	112.4	P362 P391 Y392 M398 F399 A467 S468 S471	P362-D395 HydrophobicContact CG-CB 3.94Å; P362-D395 WeakPolarHBondContact CG-O 3.49Å; P391-D395 PolarHBondContact O-N 2.68Å; P391-D395 VanDerWaalsContact O-N 3.08Å; Y392-D395 PolarHBondContact O-N 2.95Å; D395-M398 WeakPolarHBondContact OD1-CE 3.33Å; D395-F399 WeakPolarHBondContact O-CB 3.18Å; D395-F399 PolarHBondContact O-N 3.28Å; D395-A467 WeakPolarHBondContact OD2-CA 3.49Å; D395-A467 WeakPolarHBondContact OD2-CB 3.45Å; D395-S468 VanDerWaalsContact OD1-CB 3.26Å; D395-S468 WeakPolarHBondContact OD1-CB 3.21Å; D395-S468 PolarHBondContact OD1-OG 3.2Å; D395-S468 PolarHBondContact OD2-N 3.3Å; D395-S471 PolarHBondContact N-OG 3.2Å; D395-S471 WeakPolarHBondContact OD1-CB 3.4Å; D395-S471 PolarHBondContact OD1-OG 3.1Å
396	V	89.6	Confident	86.9	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-46.7	174	166.6	0	0	0	0	111.4	F358 P362 F365 Y392 L393 L394 F399 L400	F358-V396 HydrophobicContact CE1-CG2 3.91Å; F358-V396 HydrophobicContact CZ-CB 4.39Å; F358-V396 HydrophobicContact CZ-CG2 3.93Å; P362-V396 HydrophobicContact CB-CG2 4Å; P362-V396 HydrophobicContact CG-CG2 4.13Å; F365-V396 HydrophobicContact CB-CG2 3.89Å; F365-V396 HydrophobicContact CD1-CG1 3.7Å; F365-V396 HydrophobicContact CD1-CG2 4.29Å; F365-V396 HydrophobicContact CD2-CG2 4.42Å; F365-V396 HydrophobicContact CE1-CG1 3.83Å; F365-V396 HydrophobicContact CG-CG1 4.14Å; F365-V396 HydrophobicContact CG-CG2 3.96Å; F365-V396 HydrophobicContact CZ-CG1 4.36Å; Y392-V396 WeakPolarHBondContact O-CG2 3.36Å; Y392-V396 PolarHBondContact O-N 3.26Å; L393-V396 WeakPolarHBondContact O-CA 3.33Å; L393-V396 WeakPolarHBondContact O-CB 3.47Å; L393-V396 PolarHBondContact O-N 2.85Å; L393-V396 VanDerWaalsContact O-N 3.1Å; L394-V396 VanDerWaalsContact C-N 3.26Å; L394-V396 PolarHBondContact O-N 3.05Å; V396-F399 PolarHBondContact O-N 2.87Å; V396-L400 HydrophobicContact CG1-CD1 3.69Å; V396-L400 HydrophobicContact CG1-CG 4.29Å; V396-L400 WeakPolarHBondContact O-CB 3.31Å; V396-L400 VanDerWaalsContact O-CG 3.28Å; V396-L400 WeakPolarHBondContact O-CG 3.34Å; V396-L400 PolarHBondContact O-N 2.66Å
397	F	89.3	Confident	86.1	Confident	5 Å²	5	42.4 Å²	42.4	2%	0.022	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-46.1	178.7	-71.6	-42.4	0	0	0	112.1	H258 L393 L394 F399 L400 G401 K402 W404 D419 V421	H258-F397 AromaticContact CD2-CE1 4Å; H258-F397 AromaticContact CD2-CZ 3.66Å; H258-F397 AromaticContact NE2-CE1 3.72Å; H258-F397 AromaticContact NE2-CZ 3.81Å; L393-F397 HydrophobicContact CD1-CD2 4.19Å; L393-F397 HydrophobicContact CD1-CE1 4.28Å; L393-F397 HydrophobicContact CD1-CE2 3.69Å; L393-F397 HydrophobicContact CD1-CZ 3.75Å; L393-F397 HydrophobicContact CD2-CE2 3.86Å; L393-F397 HydrophobicContact CD2-CZ 4.34Å; L393-F397 HydrophobicContact CG-CD2 3.98Å; L393-F397 HydrophobicContact CG-CE2 3.55Å; L393-F397 HydrophobicContact CG-CZ 4.11Å; L393-F397 PolarHBondContact O-N 3.35Å; L394-F397 PolarHBondContact O-N 3.44Å; F397-F399 VanDerWaalsContact C-N 3.35Å; F397-F399 PolarHBondContact O-N 2.64Å; F397-L400 CarbonylContact O-C 3.58Å; F397-L400 PolarHBondContact O-N 2.85Å; F397-L400 VanDerWaalsContact O-N 3.16Å; F397-G401 PolarHBondContact O-N 3.49Å; F397-K402 HydrophobicContact CD1-CB 4.19Å; F397-K402 PolarHBondContact O-N 3.29Å; F397-W404 AromaticContact CD2-CE3 3.9Å; F397-W404 HydrophobicContact CD2-CE3 3.9Å; F397-W404 HydrophobicContact CD2-CZ3 4.46Å; F397-W404 AromaticContact CE2-CE3 3.61Å; F397-W404 HydrophobicContact CE2-CE3 3.61Å; F397-W404 AromaticContact CE2-CZ3 3.95Å; F397-W404 HydrophobicContact CE2-CZ3 3.95Å; F397-D419 HydrophobicContact CE1-CB 4.46Å; F397-V421 HydrophobicContact CE2-CG2 4.06Å; F397-V421 HydrophobicContact CZ-CG2 4.02Å
398	M	87.4	Confident	85.1	Confident	85 Å²	85	48.2 Å²	48.2	42%	0.419	25%	0.246	S	C	.	.	H	α-helix	trans	-57.9	-45.6	172	-70.5	-168.8	-60	0	0	112	L394 D395 L400 G401 S471 R474	L394-M398 WeakPolarHBondContact O-CG 3.2Å; L394-M398 PolarHBondContact O-N 3.03Å; D395-M398 WeakPolarHBondContact OD1-CE 3.33Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 3.45Å; M398-G401 PolarHBondContact O-N 2.97Å; M398-S471 WeakPolarHBondContact CE-OG 3.46Å; M398-R474 PolarHBondContact SD-NH1 3.33Å
399	F	83.7	Confident	83.7	Confident	73 Å²	73	46.3 Å²	46.3	32%	0.32	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-31.1	178.3	179.7	-102	0	0	0	113	K249 P362 L366 D395 V396 F397	K249-F399 HydrophobicContact CD-CD1 4.4Å; K249-F399 HydrophobicContact CD-CE1 3.92Å; K249-F399 HydrophobicContact CD-CZ 4.25Å; K249-F399 PolarHBondContact NZ-O 3.08Å; P362-F399 HydrophobicContact CB-CB 3.62Å; P362-F399 HydrophobicContact CB-CD1 3.66Å; P362-F399 HydrophobicContact CB-CD2 4.41Å; P362-F399 HydrophobicContact CB-CE1 4.46Å; P362-F399 HydrophobicContact CB-CG 3.63Å; P362-F399 HydrophobicContact CG-CB 4.01Å; P362-F399 HydrophobicContact CG-CG 4.42Å; L366-F399 HydrophobicContact CD2-CE1 4.49Å; D395-F399 WeakPolarHBondContact O-CB 3.18Å; D395-F399 PolarHBondContact O-N 3.28Å; V396-F399 PolarHBondContact O-N 2.87Å; F397-F399 VanDerWaalsContact C-N 3.35Å; F397-F399 PolarHBondContact O-N 2.64Å
400	L	82.9	Confident	81.9	Confident	30 Å²	30	48.6 Å²	48.6	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-84.1	-11.4	176.9	-68.3	174.1	0	0	0	113.4	K249 L250 L256 V396 F397 M398 K402	K249-L400 HydrophobicContact CB-CD2 4.09Å; K249-L400 HydrophobicContact CD-CD2 4.34Å; L250-L400 HydrophobicContact CD1-CD1 3.78Å; L250-L400 HydrophobicContact CD1-CD2 3.87Å; L250-L400 HydrophobicContact CD1-CG 4.48Å; L250-L400 HydrophobicContact CG-CD2 4Å; L256-L400 HydrophobicContact CD1-CD1 4.32Å; V396-L400 HydrophobicContact CG1-CD1 3.69Å; V396-L400 HydrophobicContact CG1-CG 4.29Å; V396-L400 WeakPolarHBondContact O-CB 3.31Å; V396-L400 VanDerWaalsContact O-CG 3.28Å; V396-L400 WeakPolarHBondContact O-CG 3.34Å; V396-L400 PolarHBondContact O-N 2.66Å; F397-L400 CarbonylContact O-C 3.58Å; F397-L400 PolarHBondContact O-N 2.85Å; F397-L400 VanDerWaalsContact O-N 3.16Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 3.45Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 HydrophobicContact CB-CB 4.44Å; L400-K402 HydrophobicContact CB-CD 4.34Å; L400-K402 HydrophobicContact CB-CG 3.96Å; L400-K402 HydrophobicContact CD1-CD 4.47Å
401	G	80.8	Confident	80	Confident	72 Å²	72	56.1 Å²	56.1	74%	0.742	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	28.1	-171.3	0	0	0	0	0	112.8	F397 M398	F397-G401 PolarHBondContact O-N 3.49Å; M398-G401 PolarHBondContact O-N 2.97Å
402	K	81	Confident	77.8	Confident	71 Å²	71	63.2 Å²	63.2	31%	0.309	33%	0.332	S	S	.	.			trans	-103.5	146.5	-179.6	-66.2	-167.9	-179.8	-167.1	0	110.9	F397 L400 D419	F397-K402 HydrophobicContact CD1-CB 4.19Å; F397-K402 PolarHBondContact O-N 3.29Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 HydrophobicContact CB-CB 4.44Å; L400-K402 HydrophobicContact CB-CD 4.34Å; L400-K402 HydrophobicContact CB-CG 3.96Å; L400-K402 HydrophobicContact CD1-CD 4.47Å; K402-D419 HydrophobicContact CD-CB 4.29Å; K402-D419 VanDerWaalsContact CD-OD1 3.28Å; K402-D419 WeakPolarHBondContact CD-OD1 3.32Å; K402-D419 IonicContact NZ-OD1 2.73Å; K402-D419 PolarHBondContact NZ-OD1 3.43Å; K402-D419 IonicContact NZ-OD2 3.51Å; K402-D419 PolarHBondContact NZ-OD2 3.11Å
403	E	79.1	Confident	75.5	Confident	113 Å²	113	72.7 Å²	72.7	53%	0.528	38%	0.377	S	S	.	.			trans	-81.6	154.7	174.5	-58.2	-154.8	136.2	0	0	112.2	K405 K567	E403-K405 PolarHBondContact O-N 2.93Å; E403-K567 WeakPolarHBondContact OE1-CE 3.39Å; E403-K567 IonicContact OE1-NZ 3.63Å; E403-K567 PolarHBondContact OE1-NZ 3.24Å; E403-K567 IonicContact OE2-NZ 3Å; E403-K567 PolarHBondContact OE2-NZ 2.79Å
404	W	80.9	Confident	73.5	Confident	64 Å²	64	78 Å²	78	24%	0.242	41%	0.409	C	S	.	.			trans	-71	108.8	169	176.6	-86.9	0	0	0	110	L390 L393 L394 F397 V421 L478	L390-W404 HydrophobicContact CD1-CH2 3.47Å; L390-W404 VanDerWaalsContact CD1-CH2 3.47Å; L390-W404 HydrophobicContact CD1-CZ3 3.63Å; L393-W404 HydrophobicContact CD2-CH2 4.38Å; L393-W404 HydrophobicContact CD2-CZ3 3.82Å; L393-W404 HydrophobicContact CG-CZ3 4.4Å; L394-W404 HydrophobicContact CD2-CD2 4.45Å; L394-W404 HydrophobicContact CD2-CE3 3.59Å; L394-W404 HydrophobicContact CD2-CZ3 3.98Å; F397-W404 AromaticContact CD2-CE3 3.9Å; F397-W404 HydrophobicContact CD2-CE3 3.9Å; F397-W404 HydrophobicContact CD2-CZ3 4.46Å; F397-W404 AromaticContact CE2-CE3 3.61Å; F397-W404 HydrophobicContact CE2-CE3 3.61Å; F397-W404 AromaticContact CE2-CZ3 3.95Å; F397-W404 HydrophobicContact CE2-CZ3 3.95Å; W404-V421 HydrophobicContact CD2-CG2 4.43Å; W404-V421 HydrophobicContact CE3-CG2 4.24Å; W404-V421 HydrophobicContact CH2-CB 4.22Å; W404-V421 HydrophobicContact CH2-CG1 3.75Å; W404-V421 HydrophobicContact CH2-CG2 3.97Å; W404-V421 HydrophobicContact CZ2-CB 4.13Å; W404-V421 HydrophobicContact CZ2-CG1 3.91Å; W404-V421 HydrophobicContact CZ2-CG2 4.15Å; W404-V421 HydrophobicContact CZ3-CG2 4.01Å; W404-L478 HydrophobicContact CD2-CD1 4.18Å; W404-L478 HydrophobicContact CE3-CD1 4.3Å; W404-L478 HydrophobicContact CH2-CD1 4.36Å; W404-L478 HydrophobicContact CZ2-CD1 4.23Å; W404-L478 HydrophobicContact CZ3-CD1 4.39Å
405	K	81.3	Confident	72.1	Confident	99 Å²	99	83 Å²	83	43%	0.43	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121	174.9	-72.4	-174.7	165.2	-164.2	0	111	E403 E417 V421	E403-K405 PolarHBondContact O-N 2.93Å; K405-E417 IonicContact NZ-OE2 3.45Å; K405-E417 PolarHBondContact NZ-OE2 3.21Å; K405-V421 PolarHBondContact O-N 3Å
406	V	79.6	Confident	71.1	Confident	62 Å²	62	84.3 Å²	84.3	38%	0.376	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.5	167.7	-179.9	0	0	0	0	108.7	Q408 L485 P486	V406-Q408 PolarHBondContact O-N 3.08Å; V406-L485 HydrophobicContact CB-CD2 4.5Å; V406-L485 HydrophobicContact CG1-CD2 3.77Å; V406-L485 HydrophobicContact CG2-CD2 3.92Å; V406-P486 HydrophobicContact CG1-CG 3.82Å
407	C	73.7	Confident	70.1	Confident	5 Å²	5	89.1 Å²	89.1	3%	0.034	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-56.1	131.5	175.6	-167.1	0	0	0	0	110.5	C420 V421 P486 Q489	C407-C420 HydrophobicContact CB-CB 4.13Å; C407-V421 WeakPolarHBondContact CB-O 3.4Å; C407-V421 PolarHBondContact N-O 3.14Å; C407-P486 HydrophobicContact CB-CG 4.45Å; C407-P486 WeakPolarHBondContact O-CG 3.49Å; C407-Q489 WeakPolarHBondContact SG-CG 3.48Å; C407-Q489 PolarHBondContact SG-N 2.87Å; C407-Q489 VanDerWaalsContact SG-N 3.42Å
408	Q	67.3	Low	69.4	Low	151 Å²	151	90.6 Å²	90.6	71%	0.706	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-93.9	138.8	174.1	-65.2	-172.9	0.9	0	0	109.7	V406 S410 Q489	V406-Q408 PolarHBondContact O-N 3.08Å; Q408-S410 PolarHBondContact O-N 3.39Å; Q408-S410 VanDerWaalsContact O-N 3.11Å; Q408-Q489 PolarHBondContact O-NE2 3.46Å
409	S	58	Low	69	Low	77 Å²	77	87.4 Å²	87.4	54%	0.538	45%	0.453	S	S	.	.			trans	-73.2	101.8	172.4	-172.5	0	0	0	0	108.7	E496	S409-E496 WeakPolarHBondContact CB-OE1 3.41Å; S409-E496 VanDerWaalsContact OG-CD 3.31Å; S409-E496 PolarHBondContact OG-OE1 2.88Å
410	S	54.8	Low	68.9	Low	49 Å²	49	84.1 Å²	84.1	34%	0.343	44%	0.439	S	S	.	.			trans	-107.6	111.1	-174.6	59.1	0	0	0	0	111.3	Q408 K412	Q408-S410 PolarHBondContact O-N 3.39Å; Q408-S410 VanDerWaalsContact O-N 3.11Å; S410-K412 PolarHBondContact O-N 3.16Å
411	N	49.4	Very low	69	Low	159 Å²	159	82.7 Å²	82.7	85%	0.85	43%	0.432	S	S	*	.	S	Bend	trans	-65.8	13.6	179	-95.4	-24.9	0	0	0	115.8
412	K	46.8	Very low	69.2	Low	164 Å²	164	79.2 Å²	79.2	71%	0.713	40%	0.396	S	S	*	.	S	Bend	trans	-124.7	140.8	-176.5	-65.3	-176.1	178	-179.4	0	110.5	S410 V414	S410-K412 PolarHBondContact O-N 3.16Å; K412-V414 HydrophobicContact CB-CG2 4.08Å; K412-V414 PolarHBondContact O-N 3.38Å
413	Q	45.3	Very low	69.5	Low	211 Å²	211	76.7 Å²	76.7	99%	0.986	39%	0.385	S	S	*	.			trans	-71.7	46.7	-178.3	-63.4	175.7	-49.3	0	0	113.5
414	V	51.2	Low	69.7	Low	111 Å²	111	71.5 Å²	71.5	67%	0.673	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-90.5	144.3	179.6	-175.9	0	0	0	0	109	K412 W416	K412-V414 HydrophobicContact CB-CG2 4.08Å; K412-V414 PolarHBondContact O-N 3.38Å; V414-W416 PolarHBondContact O-N 2.97Å
415	E	60.8	Low	69.9	Low	121 Å²	121	68.5 Å²	68.5	57%	0.565	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-51.8	130.3	173.3	-74.3	-163.6	166.4	0	0	110.8	K255 R378	K255-E415 IonicContact NZ-OE2 2.74Å; K255-E415 PolarHBondContact NZ-OE2 3.12Å; R378-E415 IonicContact CZ-OE1 3.25Å; R378-E415 IonicContact NH1-OE1 3.27Å; R378-E415 PolarHBondContact NH1-OE1 2.97Å; R378-E415 IonicContact NH1-OE2 3.07Å
416	W	69.8	Low	69.9	Low	47 Å²	47	67.9 Å²	67.9	18%	0.178	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.1	145.3	-175.4	57	-93.4	0	0	0	113.7	K255 L256 A257 V380 V414 Q489 I490	K255-W416 HydrophobicContact CB-CH2 3.34Å; K255-W416 HydrophobicContact CB-CZ2 3.91Å; K255-W416 HydrophobicContact CB-CZ3 3.83Å; K255-W416 HydrophobicContact CD-CD2 4.49Å; K255-W416 HydrophobicContact CD-CH2 4.1Å; K255-W416 HydrophobicContact CD-CZ2 3.99Å; K255-W416 HydrophobicContact CD-CZ3 4.39Å; K255-W416 HydrophobicContact CG-CH2 4.36Å; K255-W416 PolarHBondContact NZ-O 3.29Å; L256-W416 WeakPolarHBondContact O-CZ3 3.47Å; A257-W416 HydrophobicContact CB-CH2 3.89Å; A257-W416 HydrophobicContact CB-CZ3 4.05Å; V380-W416 HydrophobicContact CG1-CH2 3.72Å; V380-W416 HydrophobicContact CG1-CZ2 3.74Å; V380-W416 HydrophobicContact CG2-CH2 4.48Å; V380-W416 HydrophobicContact CG2-CZ2 3.94Å; V414-W416 PolarHBondContact O-N 2.97Å; W416-Q489 VanDerWaalsContact CA-OE1 3.26Å; W416-Q489 HydrophobicContact CB-CB 3.69Å; W416-Q489 VanDerWaalsContact CB-OE1 3.23Å; W416-I490 HydrophobicContact CD2-CD1 4.06Å; W416-I490 HydrophobicContact CD2-CG1 3.86Å; W416-I490 HydrophobicContact CE3-CD1 4.13Å; W416-I490 HydrophobicContact CE3-CG1 4.34Å; W416-I490 HydrophobicContact CG-CG1 4.11Å; W416-I490 HydrophobicContact CH2-CD1 3.88Å; W416-I490 HydrophobicContact CZ2-CD1 3.79Å; W416-I490 HydrophobicContact CZ2-CG1 4.19Å; W416-I490 HydrophobicContact CZ3-CD1 4.05Å
417	E	69.2	Low	69.9	Low	102 Å²	102	66.8 Å²	66.8	48%	0.477	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-68	130.7	-178.6	-80.8	-163.3	-155.7	0	0	111.7	K405 C420	K405-E417 IonicContact NZ-OE2 3.45Å; K405-E417 PolarHBondContact NZ-OE2 3.21Å; E417-C420 PolarHBondContact O-SG 2.93Å
418	S	74.4	Confident	70.2	Confident	36 Å²	36	67.8 Å²	67.8	25%	0.252	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	147.2	170.1	-178.7	0	0	0	0	111.2	L256 C420	L256-S418 PolarHBondContact N-OG 3.35Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.98Å
419	D	79.2	Confident	71	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.102	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.5	175.8	-46.2	-80.9	0	0	0	115.8	L256 F397 K402	L256-D419 WeakPolarHBondContact CD1-OD1 3.26Å; L256-D419 PolarHBondContact O-N 2.91Å; F397-D419 HydrophobicContact CE1-CB 4.46Å; K402-D419 HydrophobicContact CD-CB 4.29Å; K402-D419 VanDerWaalsContact CD-OD1 3.28Å; K402-D419 WeakPolarHBondContact CD-OD1 3.32Å; K402-D419 IonicContact NZ-OD1 2.73Å; K402-D419 PolarHBondContact NZ-OD1 3.43Å; K402-D419 IonicContact NZ-OD2 3.51Å; K402-D419 PolarHBondContact NZ-OD2 3.11Å
420	C	81.9	Confident	72.3	Confident	3 Å²	3	62 Å²	62	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.6	173.8	64.9	0	0	0	0	112.7	H258 C407 E417 S418 H488	H258-C420 PolarHBondContact N-O 2.64Å; C407-C420 HydrophobicContact CB-CB 4.13Å; E417-C420 PolarHBondContact O-SG 2.93Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 2.98Å; C420-H488 PolarHBondContact SG-CE1 3.22Å
421	V	85	Confident	73.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.1	175.1	-170.7	0	0	0	0	109.9	H258 T260 L393 F397 W404 K405 C407 L485	H258-V421 HydrophobicContact CB-CB 4.38Å; H258-V421 HydrophobicContact CB-CG1 4.34Å; H258-V421 HydrophobicContact CB-CG2 3.97Å; H258-V421 WeakPolarHBondContact O-CA 3.4Å; T260-V421 HydrophobicContact CG2-CG1 3.69Å; L393-V421 HydrophobicContact CD2-CG2 4.46Å; F397-V421 HydrophobicContact CE2-CG2 4.06Å; F397-V421 HydrophobicContact CZ-CG2 4.02Å; W404-V421 HydrophobicContact CD2-CG2 4.43Å; W404-V421 HydrophobicContact CE3-CG2 4.24Å; W404-V421 HydrophobicContact CH2-CB 4.22Å; W404-V421 HydrophobicContact CH2-CG1 3.75Å; W404-V421 HydrophobicContact CH2-CG2 3.97Å; W404-V421 HydrophobicContact CZ2-CB 4.13Å; W404-V421 HydrophobicContact CZ2-CG1 3.91Å; W404-V421 HydrophobicContact CZ2-CG2 4.15Å; W404-V421 HydrophobicContact CZ3-CG2 4.01Å; K405-V421 PolarHBondContact O-N 3Å; C407-V421 WeakPolarHBondContact CB-O 3.4Å; C407-V421 PolarHBondContact N-O 3.14Å; V421-L485 HydrophobicContact CG1-CD1 4.39Å
422	G	85.2	Confident	75.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	177.5	177.2	0	0	0	0	0	113	H258 I259 T260 P486	H258-G422 PolarHBondContact O-N 3.42Å; I259-G422 CarbonylContact C-O 3.49Å; I259-G422 WeakPolarHBondContact CA-O 3.29Å; T260-G422 PolarHBondContact N-O 3.44Å; T260-G422 PolarHBondContact OG1-O 2.89Å; T260-G422 VanDerWaalsContact OG1-O 3.13Å; G422-P486 CarbonylContact C-O 3.46Å; G422-P486 WeakPolarHBondContact CA-O 3.16Å
423	R	86.3	Confident	77.6	Confident	18 Å²	18	52.1 Å²	52.1	7%	0.068	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	167.3	176.7	76.1	173.9	-167.1	-145.2	15.2	112.9	F483 L485 P486 V487 H488 D499 N503	R423-F483 PolarHBondContact NH1-O 3.32Å; R423-L485 WeakPolarHBondContact CD-O 3.28Å; R423-L485 PolarHBondContact NH1-O 2.93Å; R423-P486 PolarHBondContact N-O 3.1Å; R423-V487 HydrophobicContact CG-CG2 4.27Å; R423-V487 WeakPolarHBondContact O-CA 3.42Å; R423-H488 PolarHBondContact O-N 2.87Å; R423-D499 IonicContact CZ-OD2 3.14Å; R423-D499 VanDerWaalsContact CZ-OD2 3.27Å; R423-D499 IonicContact NE-OD2 3.35Å; R423-D499 PolarHBondContact NE-OD2 3.03Å; R423-D499 VanDerWaalsContact NH2-CG 3.32Å; R423-D499 IonicContact NH2-OD2 3.47Å; R423-D499 PolarHBondContact NH2-OD2 2.88Å; R423-N503 PolarHBondContact NH1-ND2 2.87Å; R423-N503 PolarHBondContact NH1-OD1 3.33Å; R423-N503 PolarHBondContact NH2-ND2 3.43Å; R423-N503 PolarHBondContact NH2-OD1 2.94Å; R423-N503 VanDerWaalsContact NH2-OD1 3.12Å
424	A	84.7	Confident	79.7	Confident	4 Å²	4	45 Å²	45	3%	0.033	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-83.6	152.5	164.9	0	0	0	0	0	111.5	I259 I269 M429 F491	I259-A424 HydrophobicContact CG2-CB 4.24Å; I269-A424 HydrophobicContact CD1-CB 3.74Å; I269-A424 HydrophobicContact CG1-CB 3.87Å; A424-M429 HydrophobicContact CB-CG 4.25Å; A424-M429 HydrophobicContact CB-SD 3.61Å; A424-F491 HydrophobicContact CB-CE1 4.42Å; A424-F491 HydrophobicContact CB-CE2 3.98Å; A424-F491 HydrophobicContact CB-CZ 3.76Å
425	P	83.8	Confident	81.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-73.8	135.4	178.5	-13.4	27.9	0	0	0	112.6	S427 I428 M429 V487 F491 A495	P425-S427 PolarHBondContact O-N 3.34Å; P425-I428 HydrophobicContact CB-CD1 4.22Å; P425-I428 HydrophobicContact CG-CD1 3.97Å; P425-M429 VanDerWaalsContact O-CG 3.23Å; P425-M429 WeakPolarHBondContact O-CG 3.49Å; P425-M429 PolarHBondContact O-N 3.27Å; P425-V487 HydrophobicContact CG-CG1 3.75Å; P425-V487 HydrophobicContact CG-CG2 4.47Å; P425-F491 VanDerWaalsContact CD-CG 3.48Å; P425-F491 HydrophobicContact CG-CB 3.62Å; P425-F491 HydrophobicContact CG-CD1 4.32Å; P425-F491 HydrophobicContact CG-CD2 4.3Å; P425-F491 HydrophobicContact CG-CG 3.85Å; P425-A495 HydrophobicContact CB-CB 3.62Å; P425-A495 HydrophobicContact CG-CB 3.84Å
426	R	81.9	Confident	82.9	Confident	86 Å²	86	42 Å²	42	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-33.6	-172.7	-61.6	-178	-179.3	134.5	6	113.6	M429 S430 D499 N503	R426-M429 PolarHBondContact O-N 2.59Å; R426-S430 PolarHBondContact O-N 2.87Å; R426-D499 VanDerWaalsContact CB-OD1 3.3Å; R426-D499 WeakPolarHBondContact CB-OD1 3.13Å; R426-D499 PolarHBondContact N-OD1 2.78Å; R426-D499 PolarHBondContact N-OD2 3.41Å; R426-N503 PolarHBondContact NH1-OD1 2.97Å; R426-N503 PolarHBondContact NH2-OD1 3.47Å
427	S	79.6	Confident	83.8	Confident	39 Å²	39	45.9 Å²	45.9	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-46.5	-179	56.2	0	0	0	0	112.1	P425 M429 S430 S431 E498	P425-S427 PolarHBondContact O-N 3.34Å; S427-M429 VanDerWaalsContact C-N 3.31Å; S427-M429 PolarHBondContact O-N 3.23Å; S427-S430 PolarHBondContact O-N 2.6Å; S427-S431 PolarHBondContact O-N 3.13Å; S427-E498 WeakPolarHBondContact CB-OE2 3.35Å; S427-E498 PolarHBondContact OG-OE2 3.16Å
428	I	80.6	Confident	84.7	Confident	27 Å²	27	43.8 Å²	43.8	14%	0.138	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-44	171.6	-78.8	160	0	0	0	111.5	H272 P425 L432 A495	H272-I428 HydrophobicContact CB-CG2 4.42Å; H272-I428 VanDerWaalsContact CE1-CG2 3.5Å; H272-I428 WeakPolarHBondContact CE1-CG2 3.22Å; H272-I428 WeakPolarHBondContact ND1-CG2 3.33Å; P425-I428 HydrophobicContact CB-CD1 4.22Å; P425-I428 HydrophobicContact CG-CD1 3.97Å; I428-L432 HydrophobicContact CG2-CD1 4.17Å; I428-L432 PolarHBondContact O-N 3.21Å; I428-A495 HydrophobicContact CD1-CB 3.85Å
429	M	82.7	Confident	85.4	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-46.2	-177.4	-66.8	155.6	63.8	0	0	111.4	E265 A424 P425 R426 S427 A433	E265-M429 HydrophobicContact CB-CE 3.96Å; E265-M429 HydrophobicContact CG-CE 3.57Å; E265-M429 WeakPolarHBondContact OE1-CE 3.24Å; E265-M429 VanDerWaalsContact OE2-CE 3.27Å; E265-M429 WeakPolarHBondContact OE2-CE 3.38Å; A424-M429 HydrophobicContact CB-CG 4.25Å; A424-M429 HydrophobicContact CB-SD 3.61Å; P425-M429 VanDerWaalsContact O-CG 3.23Å; P425-M429 WeakPolarHBondContact O-CG 3.49Å; P425-M429 PolarHBondContact O-N 3.27Å; R426-M429 PolarHBondContact O-N 2.59Å; S427-M429 VanDerWaalsContact C-N 3.31Å; S427-M429 PolarHBondContact O-N 3.23Å; M429-A433 WeakPolarHBondContact O-CB 3.26Å; M429-A433 PolarHBondContact O-N 3.28Å
430	S	84.9	Confident	85.8	Confident	86 Å²	86	43.7 Å²	43.7	60%	0.601	25%	0.246	S	C	*	.	H	α-helix	trans	-60.3	-49.2	179.2	-172.5	0	0	0	0	112.6	R426 S427 A433 A434	R426-S430 PolarHBondContact O-N 2.87Å; S427-S430 PolarHBondContact O-N 2.6Å; S430-A433 PolarHBondContact O-N 3.41Å; S430-A434 PolarHBondContact O-N 3.3Å
431	S	85.5	Confident	86.1	Confident	87 Å²	87	47.9 Å²	47.9	61%	0.608	28%	0.275	S	S	*	.	H	α-helix	trans	-64.5	-45	-177.5	178.4	0	0	0	0	113	S427	S427-S431 PolarHBondContact O-N 3.13Å
432	L	87.6	Confident	86.3	Confident	40 Å²	40	54.4 Å²	54.4	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-78.2	-28.2	-179.3	-72.2	174.8	0	0	0	112.8	V268 H272 I428 R435 I436	V268-L432 HydrophobicContact CG1-CB 3.36Å; V268-L432 HydrophobicContact CG1-CD1 4.47Å; H272-L432 HydrophobicContact CB-CD1 3.8Å; I428-L432 HydrophobicContact CG2-CD1 4.17Å; I428-L432 PolarHBondContact O-N 3.21Å; L432-R435 PolarHBondContact O-N 3.46Å; L432-I436 WeakPolarHBondContact O-CG1 3.46Å; L432-I436 PolarHBondContact O-N 3.31Å
433	A	89.4	Confident	86.5	Confident	37 Å²	37	56.2 Å²	56.2	31%	0.306	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-51.7	173.2	0	0	0	0	0	111.1	V268 M429 S430 R435 I436 E437	V268-A433 HydrophobicContact CG2-CB 3.92Å; M429-A433 WeakPolarHBondContact O-CB 3.26Å; M429-A433 PolarHBondContact O-N 3.28Å; S430-A433 PolarHBondContact O-N 3.41Å; A433-R435 VanDerWaalsContact C-N 3.27Å; A433-R435 PolarHBondContact O-N 3.03Å; A433-I436 PolarHBondContact O-N 3.05Å; A433-I436 VanDerWaalsContact O-N 3.11Å; A433-E437 WeakPolarHBondContact O-CB 3.4Å; A433-E437 PolarHBondContact O-N 3.41Å
434	A	89.6	Confident	86.7	Confident	61 Å²	61	59.8 Å²	59.8	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-40.5	178.6	0	0	0	0	0	112.4	S430 E437 S438	S430-A434 PolarHBondContact O-N 3.3Å; A434-E437 PolarHBondContact O-N 2.94Å; A434-S438 PolarHBondContact O-N 3.21Å
435	R	89.2	Confident	86.9	Confident	157 Å²	157	62.1 Å²	62.1	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-65.9	-42.7	176.2	-175.9	173.9	179.5	164.5	1.4	112.9	L432 A433 E437 I439	L432-R435 PolarHBondContact O-N 3.46Å; A433-R435 VanDerWaalsContact C-N 3.27Å; A433-R435 PolarHBondContact O-N 3.03Å; R435-E437 VanDerWaalsContact C-N 3.31Å; R435-I439 HydrophobicContact CG-CD1 4.22Å; R435-I439 WeakPolarHBondContact O-CG1 3.41Å; R435-I439 PolarHBondContact O-N 3.01Å
436	I	89.5	Confident	87.2	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.062	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-35.8	177.8	-71.4	165.8	0	0	0	110.7	V268 V271 L300 L432 A433 S440	V268-I436 HydrophobicContact CB-CD1 4.36Å; V268-I436 HydrophobicContact CG1-CD1 4.48Å; V268-I436 HydrophobicContact CG2-CD1 4.24Å; V271-I436 HydrophobicContact CB-CD1 4.11Å; V271-I436 HydrophobicContact CG1-CD1 4.49Å; V271-I436 HydrophobicContact CG2-CD1 3.88Å; L300-I436 HydrophobicContact CD1-CG2 4.29Å; L300-I436 HydrophobicContact CD2-CG2 4.27Å; L432-I436 WeakPolarHBondContact O-CG1 3.46Å; L432-I436 PolarHBondContact O-N 3.31Å; A433-I436 PolarHBondContact O-N 3.05Å; A433-I436 VanDerWaalsContact O-N 3.11Å; I436-S440 VanDerWaalsContact O-CB 3.29Å; I436-S440 WeakPolarHBondContact O-CB 3.11Å; I436-S440 PolarHBondContact O-N 2.93Å; I436-S440 PolarHBondContact O-OG 3.42Å
437	E	89	Confident	87.5	Confident	130 Å²	130	61.6 Å²	61.6	61%	0.607	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-44.6	176.4	-172.3	157.5	-142	0	0	112	A433 A434 R435 I439 S440 S441	A433-E437 WeakPolarHBondContact O-CB 3.4Å; A433-E437 PolarHBondContact O-N 3.41Å; A434-E437 PolarHBondContact O-N 2.94Å; R435-E437 VanDerWaalsContact C-N 3.31Å; E437-I439 PolarHBondContact O-N 3.38Å; E437-S440 PolarHBondContact O-N 2.89Å; E437-S441 PolarHBondContact O-N 2.94Å; E437-S441 PolarHBondContact O-OG 3.43Å
438	S	89.8	Confident	88	Confident	58 Å²	58	63 Å²	63	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-51.9	-57.6	172.2	-160.1	0	0	0	0	111.5	A434 S440 S441 E442	A434-S438 PolarHBondContact O-N 3.21Å; S438-S440 VanDerWaalsContact C-N 3.27Å; S438-S440 PolarHBondContact O-N 3.1Å; S438-S441 PolarHBondContact O-N 2.99Å; S438-S441 PolarHBondContact O-OG 3.29Å; S438-E442 VanDerWaalsContact C-OE1 3.24Å; S438-E442 WeakPolarHBondContact CB-OE1 3.18Å; S438-E442 WeakPolarHBondContact O-CG 3.44Å; S438-E442 PolarHBondContact O-N 3.23Å; S438-E442 PolarHBondContact OG-OE1 3.37Å
439	I	88.8	Confident	88.6	Confident	26 Å²	26	63.1 Å²	63.1	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-58.4	-39.2	179.3	-64.7	165.9	0	0	0	111.6	L300 D303 L304 R435 E437 S441 E442 N443 L446	L300-I439 HydrophobicContact CD1-CG2 4.24Å; D303-I439 HydrophobicContact CB-CG2 4Å; L304-I439 HydrophobicContact CD2-CD1 3.45Å; L304-I439 VanDerWaalsContact CD2-CD1 3.45Å; L304-I439 HydrophobicContact CG-CD1 4.13Å; R435-I439 HydrophobicContact CG-CD1 4.22Å; R435-I439 WeakPolarHBondContact O-CG1 3.41Å; R435-I439 PolarHBondContact O-N 3.01Å; E437-I439 PolarHBondContact O-N 3.38Å; I439-S441 VanDerWaalsContact C-N 3.32Å; I439-S441 PolarHBondContact O-N 3.25Å; I439-E442 PolarHBondContact O-N 3.18Å; I439-N443 WeakPolarHBondContact O-CB 3.27Å; I439-N443 PolarHBondContact O-N 3.18Å; I439-L446 HydrophobicContact CG2-CD1 4.23Å
440	S	86.9	Confident	88.9	Confident	26 Å²	26	67.5 Å²	67.5	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-68	-31.1	178.1	-59.8	0	0	0	0	112.9	I436 E437 S438	I436-S440 VanDerWaalsContact O-CB 3.29Å; I436-S440 WeakPolarHBondContact O-CB 3.11Å; I436-S440 PolarHBondContact O-N 2.93Å; I436-S440 PolarHBondContact O-OG 3.42Å; E437-S440 PolarHBondContact O-N 2.89Å; S438-S440 VanDerWaalsContact C-N 3.27Å; S438-S440 PolarHBondContact O-N 3.1Å
441	S	87.4	Confident	89.2	Confident	91 Å²	91	69.4 Å²	69.4	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-79.3	-35.3	176.5	74	0	0	0	0	113.3	E437 S438 I439	E437-S441 PolarHBondContact O-N 2.94Å; E437-S441 PolarHBondContact O-OG 3.43Å; S438-S441 PolarHBondContact O-N 2.99Å; S438-S441 PolarHBondContact O-OG 3.29Å; I439-S441 VanDerWaalsContact C-N 3.32Å; I439-S441 PolarHBondContact O-N 3.25Å
442	E	89.7	Confident	89.7	Confident	137 Å²	137	67.9 Å²	67.9	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-69.4	-42.9	175.7	-69.5	159.8	-131.6	0	0	110.7	S438 I439 S444	S438-E442 VanDerWaalsContact C-OE1 3.24Å; S438-E442 WeakPolarHBondContact CB-OE1 3.18Å; S438-E442 WeakPolarHBondContact O-CG 3.44Å; S438-E442 PolarHBondContact O-N 3.23Å; S438-E442 PolarHBondContact OG-OE1 3.37Å; I439-E442 PolarHBondContact O-N 3.18Å; E442-S444 PolarHBondContact O-N 2.97Å
443	N	89.6	Confident	90	Very high	38 Å²	38	66.3 Å²	66.3	20%	0.203	37%	0.366	C	S	.	.			trans	-88.5	92.9	-179.6	-168.9	-19.3	0	0	0	112.1	D303 I439 S445 L446 E447	D303-N443 PolarHBondContact OD2-ND2 3.16Å; I439-N443 WeakPolarHBondContact O-CB 3.27Å; I439-N443 PolarHBondContact O-N 3.18Å; N443-S445 PolarHBondContact O-N 2.97Å; N443-S445 WeakPolarHBondContact OD1-CB 3.5Å; N443-S445 PolarHBondContact OD1-N 2.88Å; N443-L446 HydrophobicContact CB-CB 4.24Å; N443-L446 HydrophobicContact CB-CD1 3.92Å; N443-L446 HydrophobicContact CB-CG 3.97Å; N443-L446 WeakPolarHBondContact O-CB 3.16Å; N443-L446 PolarHBondContact O-N 3.35Å; N443-E447 PolarHBondContact O-N 3.17Å
444	S	89.8	Confident	90.1	Very high	93 Å²	93	68 Å²	68	65%	0.65	37%	0.373	S	S	*	.	H	α-helix	trans	-48.4	-28.8	175.2	62.6	0	0	0	0	115.2	E442 S448	E442-S444 PolarHBondContact O-N 2.97Å; S444-S448 PolarHBondContact O-N 3.28Å; S444-S448 VanDerWaalsContact O-N 3.16Å
445	S	90.2	Very high	90.4	Very high	54 Å²	54	69.8 Å²	69.8	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-73.1	-37.8	177.4	-61.2	0	0	0	0	112.1	M299 N443 S448 M449	M299-S445 VanDerWaalsContact CE-CB 3.42Å; N443-S445 PolarHBondContact O-N 2.97Å; N443-S445 WeakPolarHBondContact OD1-CB 3.5Å; N443-S445 PolarHBondContact OD1-N 2.88Å; S445-S448 PolarHBondContact O-N 3.36Å; S445-S448 PolarHBondContact O-OG 2.78Å; S445-M449 WeakPolarHBondContact O-CB 3.32Å; S445-M449 WeakPolarHBondContact O-CG 3.38Å; S445-M449 PolarHBondContact O-N 3.23Å
446	L	89.3	Confident	90.6	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-46.1	175	-71.5	-178.9	0	0	0	111.4	M299 L300 I439 N443 S448 M449 K450	M299-L446 HydrophobicContact CB-CD2 3.57Å; L300-L446 HydrophobicContact CB-CD1 4.36Å; L300-L446 HydrophobicContact CB-CD2 4.23Å; L300-L446 HydrophobicContact CD1-CD1 4.09Å; I439-L446 HydrophobicContact CG2-CD1 4.23Å; N443-L446 HydrophobicContact CB-CB 4.24Å; N443-L446 HydrophobicContact CB-CD1 3.92Å; N443-L446 HydrophobicContact CB-CG 3.97Å; N443-L446 WeakPolarHBondContact O-CB 3.16Å; N443-L446 PolarHBondContact O-N 3.35Å; L446-S448 VanDerWaalsContact C-N 3.31Å; L446-S448 PolarHBondContact O-N 3.25Å; L446-M449 CarbonylContact O-C 3.53Å; L446-M449 PolarHBondContact O-N 2.82Å; L446-M449 VanDerWaalsContact O-N 3.08Å; L446-K450 PolarHBondContact O-N 3.18Å
447	E	88.4	Confident	90.8	Very high	67 Å²	67	64.1 Å²	64.1	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-35.6	177.1	174.8	50.4	-151.4	0	0	112.2	N443 K450 K451	N443-E447 PolarHBondContact O-N 3.17Å; E447-K450 WeakPolarHBondContact OE2-CD 3.34Å; E447-K451 VanDerWaalsContact OE1-CE 3.22Å; E447-K451 WeakPolarHBondContact OE1-CE 3.22Å; E447-K451 IonicContact OE1-NZ 2.73Å; E447-K451 PolarHBondContact OE1-NZ 2.75Å
448	S	91.2	Very high	91	Very high	67 Å²	67	63.8 Å²	63.8	47%	0.469	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-41	171.5	85.7	0	0	0	0	112.1	S444 S445 L446	S444-S448 PolarHBondContact O-N 3.28Å; S444-S448 VanDerWaalsContact O-N 3.16Å; S445-S448 PolarHBondContact O-N 3.36Å; S445-S448 PolarHBondContact O-OG 2.78Å; L446-S448 VanDerWaalsContact C-N 3.31Å; L446-S448 PolarHBondContact O-N 3.25Å
449	M	92	Very high	91.1	Very high	30 Å²	30	70.1 Å²	70.1	15%	0.148	37%	0.368	C	S	.	.	H	α-helix	trans	-71.9	-32.5	-179.7	-76.3	-65.6	-71.3	0	0	112.7	H292 E295 S445 L446 K451 V452 C453	H292-M449 HydrophobicContact CB-CE 4.46Å; E295-M449 HydrophobicContact CB-CE 3.67Å; S445-M449 WeakPolarHBondContact O-CB 3.32Å; S445-M449 WeakPolarHBondContact O-CG 3.38Å; S445-M449 PolarHBondContact O-N 3.23Å; L446-M449 CarbonylContact O-C 3.53Å; L446-M449 PolarHBondContact O-N 2.82Å; L446-M449 VanDerWaalsContact O-N 3.08Å; M449-K451 VanDerWaalsContact C-N 3.27Å; M449-K451 PolarHBondContact O-N 3.24Å; M449-V452 CarbonylContact O-C 3.57Å; M449-V452 WeakPolarHBondContact O-CA 3.3Å; M449-V452 WeakPolarHBondContact O-CB 3.31Å; M449-V452 PolarHBondContact O-N 3.2Å; M449-C453 PolarHBondContact O-N 3.33Å; M449-C453 PolarHBondContact O-SG 2.75Å
450	K	90.3	Very high	91.3	Very high	113 Å²	113	70.8 Å²	70.8	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-51.4	-46.3	174.4	-167.5	176.5	-177	177.2	0	111.4	L446 E447 V452 C453 V454	L446-K450 PolarHBondContact O-N 3.18Å; E447-K450 WeakPolarHBondContact OE2-CD 3.34Å; K450-V452 PolarHBondContact O-N 3.14Å; K450-C453 PolarHBondContact O-N 3.44Å; K450-V454 WeakPolarHBondContact O-CG2 3.4Å; K450-V454 PolarHBondContact O-N 2.83Å; K450-V454 VanDerWaalsContact O-N 3.09Å
451	K	91.2	Very high	91.5	Very high	125 Å²	125	72.4 Å²	72.4	54%	0.543	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-36.3	176.6	-69	166.6	-174.4	140.8	0	112.7	E447 M449 N455	E447-K451 VanDerWaalsContact OE1-CE 3.22Å; E447-K451 WeakPolarHBondContact OE1-CE 3.22Å; E447-K451 IonicContact OE1-NZ 2.73Å; E447-K451 PolarHBondContact OE1-NZ 2.75Å; M449-K451 VanDerWaalsContact C-N 3.27Å; M449-K451 PolarHBondContact O-N 3.24Å; K451-N455 PolarHBondContact O-N 3.47Å; K451-N455 PolarHBondContact O-ND2 2.97Å
452	V	94.5	Very high	91.6	Very high	56 Å²	56	76 Å²	76	34%	0.339	38%	0.382	S	S	.	.	H	α-helix	trans	-68.7	-43.4	175.5	-179.1	0	0	0	0	111	H292 M449 K450 N455 A456	H292-V452 HydrophobicContact CB-CG1 4.11Å; M449-V452 CarbonylContact O-C 3.57Å; M449-V452 WeakPolarHBondContact O-CA 3.3Å; M449-V452 WeakPolarHBondContact O-CB 3.31Å; M449-V452 PolarHBondContact O-N 3.2Å; K450-V452 PolarHBondContact O-N 3.14Å; V452-N455 PolarHBondContact O-N 3.39Å; V452-A456 WeakPolarHBondContact O-CB 3.35Å; V452-A456 PolarHBondContact O-N 2.82Å
453	C	93.9	Very high	91.6	Very high	7 Å²	7	74.8 Å²	74.8	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-59.2	-48.4	177	-75.9	0	0	0	0	112.3	H292 H293 M449 K450 N455 A456 M457	H292-C453 PolarHBondContact O-SG 2.57Å; H292-C453 VanDerWaalsContact O-SG 3.36Å; H293-C453 PolarHBondContact CE1-O 2.84Å; M449-C453 PolarHBondContact O-N 3.33Å; M449-C453 PolarHBondContact O-SG 2.75Å; K450-C453 PolarHBondContact O-N 3.44Å; C453-N455 PolarHBondContact O-N 3.06Å; C453-A456 PolarHBondContact O-N 3.39Å; C453-M457 PolarHBondContact O-N 3.33Å
454	V	93.1	Very high	91.5	Very high	73 Å²	73	74.6 Å²	74.6	44%	0.442	38%	0.381	S	S	.	.	H	α-helix	trans	-58.3	-45.7	176.2	170.9	0	0	0	0	111.5	K450 A456 M457 K458	K450-V454 WeakPolarHBondContact O-CG2 3.4Å; K450-V454 PolarHBondContact O-N 2.83Å; K450-V454 VanDerWaalsContact O-N 3.09Å; V454-A456 VanDerWaalsContact C-N 3.35Å; V454-A456 PolarHBondContact O-N 3.41Å; V454-M457 PolarHBondContact O-N 3.4Å; V454-K458 HydrophobicContact CG1-CD 4.4Å; V454-K458 WeakPolarHBondContact O-CG 3.5Å; V454-K458 PolarHBondContact O-N 3.27Å
455	N	94.7	Very high	91.5	Very high	97 Å²	97	73 Å²	73	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-34.5	178.5	-73.9	-36.1	0	0	0	112.8	K451 V452 C453 R459	K451-N455 PolarHBondContact O-N 3.47Å; K451-N455 PolarHBondContact O-ND2 2.97Å; V452-N455 PolarHBondContact O-N 3.39Å; C453-N455 PolarHBondContact O-N 3.06Å; N455-R459 PolarHBondContact O-N 3.28Å
456	A	93.6	Very high	91.5	Very high	17 Å²	17	77 Å²	77	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-68.1	-39.9	173.6	0	0	0	0	0	111.9	T290 H292 V452 C453 V454 R459 Y460	T290-A456 HydrophobicContact CG2-CB 4.16Å; H292-A456 HydrophobicContact CB-CB 4.34Å; V452-A456 WeakPolarHBondContact O-CB 3.35Å; V452-A456 PolarHBondContact O-N 2.82Å; C453-A456 PolarHBondContact O-N 3.39Å; V454-A456 VanDerWaalsContact C-N 3.35Å; V454-A456 PolarHBondContact O-N 3.41Å; A456-R459 PolarHBondContact O-N 3.18Å; A456-Y460 PolarHBondContact O-N 3.02Å
457	M	93.1	Very high	91.6	Very high	33 Å²	33	77.1 Å²	77.1	16%	0.163	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-43.7	178.2	-167.4	55.4	172.7	0	0	111.7	C453 V454 R459 Y460 L461	C453-M457 PolarHBondContact O-N 3.33Å; V454-M457 PolarHBondContact O-N 3.4Å; M457-R459 VanDerWaalsContact C-N 3.26Å; M457-R459 PolarHBondContact O-N 3.03Å; M457-Y460 HydrophobicContact CE-CD1 4.14Å; M457-Y460 HydrophobicContact CE-CE1 4.47Å; M457-Y460 WeakPolarHBondContact O-CB 3.44Å; M457-Y460 PolarHBondContact O-N 3.32Å; M457-Y460 HydrophobicContact SD-CD1 3.72Å; M457-Y460 HydrophobicContact SD-CG 4.45Å; M457-L461 HydrophobicContact CE-CD2 4.13Å; M457-L461 HydrophobicContact CE-CG 4.29Å; M457-L461 HydrophobicContact CG-CD1 4.24Å; M457-L461 HydrophobicContact CG-CG 4.42Å; M457-L461 WeakPolarHBondContact O-CG 3.26Å; M457-L461 PolarHBondContact O-N 2.91Å
458	K	93.6	Very high	91.7	Very high	124 Å²	124	75.9 Å²	75.9	54%	0.539	39%	0.387	S	S	.	.	H	α-helix	trans	-54.2	-41.8	174	-73	174.2	-179.3	178.9	0	112.3	V454 Q462	V454-K458 HydrophobicContact CG1-CD 4.4Å; V454-K458 WeakPolarHBondContact O-CG 3.5Å; V454-K458 PolarHBondContact O-N 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.47Å; K458-Q462 PolarHBondContact O-N 3.33Å
459	R	92.6	Very high	91.6	Very high	190 Å²	190	81.1 Å²	81.1	72%	0.717	40%	0.396	S	S	*	.	H	α-helix	trans	-69.8	-40	175	-70.4	-178.9	179	176.3	1.5	112.9	N455 A456 M457 Q462 T463	N455-R459 PolarHBondContact O-N 3.28Å; A456-R459 PolarHBondContact O-N 3.18Å; M457-R459 VanDerWaalsContact C-N 3.26Å; M457-R459 PolarHBondContact O-N 3.03Å; R459-Q462 PolarHBondContact O-N 3.09Å; R459-T463 PolarHBondContact O-N 2.76Å; R459-T463 PolarHBondContact O-OG1 3.17Å
460	Y	91.7	Very high	91.4	Very high	41 Å²	41	83.2 Å²	83.2	16%	0.161	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-49.8	175.9	170.8	-104.8	0	0	0	111.1	A289 A456 M457 Q462 T463 R464	A289-Y460 HydrophobicContact CB-CD1 3.76Å; A289-Y460 HydrophobicContact CB-CD2 4.09Å; A289-Y460 HydrophobicContact CB-CE1 3.59Å; A289-Y460 HydrophobicContact CB-CE2 3.94Å; A289-Y460 HydrophobicContact CB-CG 4.01Å; A456-Y460 PolarHBondContact O-N 3.02Å; M457-Y460 HydrophobicContact CE-CD1 4.14Å; M457-Y460 HydrophobicContact CE-CE1 4.47Å; M457-Y460 WeakPolarHBondContact O-CB 3.44Å; M457-Y460 PolarHBondContact O-N 3.32Å; M457-Y460 HydrophobicContact SD-CD1 3.72Å; M457-Y460 HydrophobicContact SD-CG 4.45Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å; Y460-Q462 PolarHBondContact O-N 3.16Å; Y460-T463 CarbonylContact O-C 3.58Å; Y460-T463 WeakPolarHBondContact O-CA 3.41Å; Y460-T463 PolarHBondContact O-N 3.22Å; Y460-T463 PolarHBondContact O-OG1 3.5Å; Y460-R464 HydrophobicContact CE1-CG 4.36Å; Y460-R464 PolarHBondContact O-N 3.4Å
461	L	91.1	Very high	91.4	Very high	60 Å²	60	77.9 Å²	77.9	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-58.2	-39.3	178.9	-68.9	172.5	0	0	0	112.6	M457 T463 R464	M457-L461 HydrophobicContact CE-CD2 4.13Å; M457-L461 HydrophobicContact CE-CG 4.29Å; M457-L461 HydrophobicContact CG-CD1 4.24Å; M457-L461 HydrophobicContact CG-CG 4.42Å; M457-L461 WeakPolarHBondContact O-CG 3.26Å; M457-L461 PolarHBondContact O-N 2.91Å; L461-T463 PolarHBondContact O-N 2.9Å; L461-R464 PolarHBondContact O-N 3.01Å
462	Q	90.7	Very high	91.3	Very high	165 Å²	165	74.9 Å²	74.9	77%	0.771	37%	0.372	S	S	*	.	H	α-helix	trans	-63.2	-22.6	173.8	-73.7	172.9	-13.4	0	0	114.3	K458 R459 Y460	K458-Q462 WeakPolarHBondContact O-CG 3.47Å; K458-Q462 PolarHBondContact O-N 3.33Å; R459-Q462 PolarHBondContact O-N 3.09Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å; Y460-Q462 PolarHBondContact O-N 3.16Å
463	T	88.3	Confident	91	Very high	113 Å²	113	80 Å²	80	69%	0.693	39%	0.385	S	S	*	.	H	α-helix	trans	-106.5	-6.7	-179.1	59.6	0	0	0	0	113.9	R459 Y460 L461	R459-T463 PolarHBondContact O-N 2.76Å; R459-T463 PolarHBondContact O-OG1 3.17Å; Y460-T463 CarbonylContact O-C 3.58Å; Y460-T463 WeakPolarHBondContact O-CA 3.41Å; Y460-T463 PolarHBondContact O-N 3.22Å; Y460-T463 PolarHBondContact O-OG1 3.5Å; L461-T463 PolarHBondContact O-N 2.9Å
464	R	89	Confident	90.6	Very high	34 Å²	34	84.6 Å²	84.6	13%	0.128	40%	0.402	C	S	.	.	S	Bend	trans	-73.7	133.2	-177.7	-168	175.6	71.1	179.6	-5.3	109.1	A360 Y392 Y460 L461	A360-R464 HydrophobicContact CB-CG 3.42Å; A360-R464 VanDerWaalsContact CB-CG 3.42Å; Y392-R464 PolarHBondContact OH-NE 3.42Å; Y392-R464 VanDerWaalsContact OH-NE 3.14Å; Y392-R464 PolarHBondContact OH-NH2 3.14Å; Y460-R464 HydrophobicContact CE1-CG 4.36Å; Y460-R464 PolarHBondContact O-N 3.4Å; L461-R464 PolarHBondContact O-N 3.01Å
465	P	88.7	Confident	90.3	Very high	60 Å²	60	81.4 Å²	81.4	39%	0.39	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-63.6	144.8	170.5	28.3	-34.3	0	0	0	109.7	A360 Q361 Y392	A360-P465 HydrophobicContact CB-CG 3.91Å; Q361-P465 HydrophobicContact CG-CG 4.31Å; Y392-P465 WeakPolarHBondContact CE1-O 3.46Å; Y392-P465 PolarHBondContact OH-O 2.75Å; Y392-P465 VanDerWaalsContact OH-O 3.1Å
466	N	90.5	Very high	89.9	Confident	136 Å²	136	83.7 Å²	83.7	73%	0.727	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-71	149.8	174.1	-68.2	-23.9	0	0	0	110.9
467	A	91	Very high	89.3	Confident	11 Å²	11	88.3 Å²	88.3	9%	0.091	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-65.8	168.6	168	0	0	0	0	0	111.6	P391 Y392 D395 I472	P391-A467 HydrophobicContact CB-CB 3.55Å; Y392-A467 HydrophobicContact CD1-CB 3.84Å; Y392-A467 HydrophobicContact CD2-CB 4.31Å; Y392-A467 HydrophobicContact CE1-CB 3.79Å; Y392-A467 HydrophobicContact CE2-CB 4.23Å; Y392-A467 HydrophobicContact CG-CB 4.12Å; D395-A467 WeakPolarHBondContact OD2-CA 3.49Å; D395-A467 WeakPolarHBondContact OD2-CB 3.45Å; A467-I472 HydrophobicContact CB-CD1 4.34Å; A467-I472 HydrophobicContact CB-CG1 4.09Å; A467-I472 WeakPolarHBondContact O-CD1 3.45Å
468	S	90.4	Very high	88.7	Confident	42 Å²	42	88.5 Å²	88.5	29%	0.294	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.4	147	174.8	77.7	0	0	0	0	111.9	D395 E470 S471 I472	D395-S468 VanDerWaalsContact OD1-CB 3.26Å; D395-S468 WeakPolarHBondContact OD1-CB 3.21Å; D395-S468 PolarHBondContact OD1-OG 3.2Å; D395-S468 PolarHBondContact OD2-N 3.3Å; S468-E470 VanDerWaalsContact C-N 3.27Å; S468-E470 PolarHBondContact O-N 3.02Å; S468-S471 PolarHBondContact O-N 2.73Å; S468-S471 WeakPolarHBondContact OG-CB 2.96Å; S468-S471 PolarHBondContact OG-N 3.18Å; S468-S471 PolarHBondContact OG-OG 2.84Å; S468-I472 WeakPolarHBondContact O-CG1 3.41Å; S468-I472 PolarHBondContact O-N 3.38Å
469	W	88.5	Confident	87.6	Confident	176 Å²	176	88 Å²	88	67%	0.667	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-35	-177	76.9	-89.2	0	0	0	112	I472 R473	W469-I472 PolarHBondContact O-N 2.79Å; W469-R473 PolarHBondContact O-N 3.4Å
470	E	88.6	Confident	86.5	Confident	75 Å²	75	85.4 Å²	85.4	35%	0.35	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-46.7	174.8	-66.4	-176.3	-153.4	0	0	112	S468 I472 R473 R474	S468-E470 VanDerWaalsContact C-N 3.27Å; S468-E470 PolarHBondContact O-N 3.02Å; E470-I472 VanDerWaalsContact C-N 3.32Å; E470-I472 PolarHBondContact O-N 3.47Å; E470-R473 WeakPolarHBondContact O-CB 3.02Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 VanDerWaalsContact O-N 3.14Å; E470-R474 WeakPolarHBondContact O-CG 3.43Å; E470-R474 PolarHBondContact O-N 3.39Å; E470-R474 IonicContact OE2-CZ 2.72Å; E470-R474 IonicContact OE2-NH1 2.77Å; E470-R474 PolarHBondContact OE2-NH1 3.02Å; E470-R474 IonicContact OE2-NH2 3.59Å; E470-R474 PolarHBondContact OE2-NH2 3.48Å
471	S	90.1	Very high	85.4	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-38.4	176.2	-72.8	0	0	0	0	112	P391 L394 D395 M398 S468 R473 R474 A475	P391-S471 WeakPolarHBondContact O-CB 3.47Å; L394-S471 WeakPolarHBondContact CB-OG 3.43Å; D395-S471 PolarHBondContact N-OG 3.2Å; D395-S471 WeakPolarHBondContact OD1-CB 3.4Å; D395-S471 PolarHBondContact OD1-OG 3.1Å; M398-S471 WeakPolarHBondContact CE-OG 3.46Å; S468-S471 PolarHBondContact O-N 2.73Å; S468-S471 WeakPolarHBondContact OG-CB 2.96Å; S468-S471 PolarHBondContact OG-N 3.18Å; S468-S471 PolarHBondContact OG-OG 2.84Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 2.84Å; S471-R474 PolarHBondContact O-N 3.45Å; S471-A475 WeakPolarHBondContact O-CB 3.49Å; S471-A475 PolarHBondContact O-N 3.07Å
472	I	89.2	Confident	84.2	Confident	63 Å²	63	83.2 Å²	83.2	32%	0.323	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-36.5	174	-67.4	166.9	0	0	0	111	P391 A467 S468 W469 E470 K476	P391-I472 HydrophobicContact CB-CG1 3.96Å; P391-I472 HydrophobicContact CG-CG1 4.3Å; A467-I472 HydrophobicContact CB-CD1 4.34Å; A467-I472 HydrophobicContact CB-CG1 4.09Å; A467-I472 WeakPolarHBondContact O-CD1 3.45Å; S468-I472 WeakPolarHBondContact O-CG1 3.41Å; S468-I472 PolarHBondContact O-N 3.38Å; W469-I472 PolarHBondContact O-N 2.79Å; E470-I472 VanDerWaalsContact C-N 3.32Å; E470-I472 PolarHBondContact O-N 3.47Å; I472-K476 WeakPolarHBondContact O-CG 3.5Å; I472-K476 PolarHBondContact O-N 3.05Å
473	R	88.4	Confident	83.1	Confident	163 Å²	163	82 Å²	82	62%	0.615	40%	0.396	S	S	*	.	H	α-helix	trans	-66.6	-57.8	174.3	-174.7	179.6	179.1	178.3	1.6	111.1	W469 E470 S471 A475 K476	W469-R473 PolarHBondContact O-N 3.4Å; E470-R473 WeakPolarHBondContact O-CB 3.02Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 VanDerWaalsContact O-N 3.14Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 2.84Å; R473-A475 PolarHBondContact O-N 3.46Å; R473-K476 WeakPolarHBondContact O-CB 3.41Å; R473-K476 PolarHBondContact O-N 3.23Å
474	R	86.1	Confident	82.1	Confident	104 Å²	104	81 Å²	81	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-57.7	-35.7	179.6	-66.6	179.9	-168.9	118.8	8.8	112.6	L394 M398 E470 S471 K476 D477 L478	L394-R474 HydrophobicContact CD1-CB 3.85Å; M398-R474 PolarHBondContact SD-NH1 3.33Å; E470-R474 WeakPolarHBondContact O-CG 3.43Å; E470-R474 PolarHBondContact O-N 3.39Å; E470-R474 IonicContact OE2-CZ 2.72Å; E470-R474 IonicContact OE2-NH1 2.77Å; E470-R474 PolarHBondContact OE2-NH1 3.02Å; E470-R474 IonicContact OE2-NH2 3.59Å; E470-R474 PolarHBondContact OE2-NH2 3.48Å; S471-R474 PolarHBondContact O-N 3.45Å; R474-K476 VanDerWaalsContact C-N 3.3Å; R474-K476 PolarHBondContact O-N 2.9Å; R474-D477 PolarHBondContact O-N 3.49Å; R474-L478 WeakPolarHBondContact O-CG 3.43Å; R474-L478 PolarHBondContact O-N 3.11Å
475	A	86.5	Confident	81.5	Confident	6 Å²	6	79.9 Å²	79.9	5%	0.05	39%	0.39	C	S	.	.	H	α-helix	trans	-65.3	-28.1	176.8	0	0	0	0	0	113.8	L390 P391 L394 S471 R473 R479	L390-A475 HydrophobicContact CB-CB 4.5Å; L390-A475 HydrophobicContact CD2-CB 3.74Å; L390-A475 WeakPolarHBondContact CD2-O 3.46Å; L390-A475 HydrophobicContact CG-CB 3.99Å; P391-A475 HydrophobicContact CB-CB 4.23Å; P391-A475 HydrophobicContact CG-CB 3.64Å; L394-A475 HydrophobicContact CD1-CB 4.05Å; S471-A475 WeakPolarHBondContact O-CB 3.49Å; S471-A475 PolarHBondContact O-N 3.07Å; R473-A475 PolarHBondContact O-N 3.46Å; A475-R479 WeakPolarHBondContact O-CB 3.39Å; A475-R479 PolarHBondContact O-N 3.44Å
476	K	85.5	Confident	81	Confident	144 Å²	144	78.8 Å²	78.8	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-68.5	-45.4	174.1	-71.3	171.8	-179.7	-176.3	0	110.6	I472 R473 R474 L478 R479	I472-K476 WeakPolarHBondContact O-CG 3.5Å; I472-K476 PolarHBondContact O-N 3.05Å; R473-K476 WeakPolarHBondContact O-CB 3.41Å; R473-K476 PolarHBondContact O-N 3.23Å; R474-K476 VanDerWaalsContact C-N 3.3Å; R474-K476 PolarHBondContact O-N 2.9Å; K476-L478 VanDerWaalsContact C-N 3.31Å; K476-L478 PolarHBondContact O-N 3.08Å; K476-R479 WeakPolarHBondContact O-CB 3.49Å; K476-R479 PolarHBondContact O-N 3.1Å
477	D	81.5	Confident	80.6	Confident	115 Å²	115	72.8 Å²	72.8	62%	0.615	35%	0.351	S	S	*	.	H	α-helix	trans	-63.5	-39	178.8	-50.2	-33.9	0	0	0	111.1	R474	R474-D477 PolarHBondContact O-N 3.49Å
478	L	79.8	Confident	80.3	Confident	36 Å²	36	72.3 Å²	72.3	19%	0.188	35%	0.347	C	S	.	.	H	α-helix	trans	-75	-21.4	176	-71.1	176.9	0	0	0	114.4	L390 L394 W404 R474 K476 D480 A481 H482	L390-L478 HydrophobicContact CD2-CB 3.99Å; L394-L478 HydrophobicContact CD1-CD1 4.26Å; L394-L478 HydrophobicContact CD2-CD1 4.08Å; W404-L478 HydrophobicContact CD2-CD1 4.18Å; W404-L478 HydrophobicContact CE3-CD1 4.3Å; W404-L478 HydrophobicContact CH2-CD1 4.36Å; W404-L478 HydrophobicContact CZ2-CD1 4.23Å; W404-L478 HydrophobicContact CZ3-CD1 4.39Å; R474-L478 WeakPolarHBondContact O-CG 3.43Å; R474-L478 PolarHBondContact O-N 3.11Å; K476-L478 VanDerWaalsContact C-N 3.31Å; K476-L478 PolarHBondContact O-N 3.08Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.49Å; L478-A481 WeakPolarHBondContact O-CB 3.45Å; L478-A481 PolarHBondContact O-N 3.49Å; L478-A481 VanDerWaalsContact O-N 3.07Å; L478-H482 PolarHBondContact O-N 2.83Å; L478-H482 PolarHBondContact O-ND1 3.24Å
479	R	72.1	Confident	79.8	Confident	113 Å²	113	72.6 Å²	72.6	43%	0.426	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-39.2	-176.7	179	177.8	-80.9	-158.9	-6.4	111.7	P387 A475 K476 A481 H482	P387-R479 PolarHBondContact O-NH2 2.9Å; A475-R479 WeakPolarHBondContact O-CB 3.39Å; A475-R479 PolarHBondContact O-N 3.44Å; K476-R479 WeakPolarHBondContact O-CB 3.49Å; K476-R479 PolarHBondContact O-N 3.1Å; R479-A481 VanDerWaalsContact C-N 3.26Å; R479-A481 PolarHBondContact O-N 2.99Å; R479-H482 WeakPolarHBondContact O-CB 3.42Å; R479-H482 PolarHBondContact O-N 3.05Å
480	D	68.8	Low	79.5	Confident	137 Å²	137	65 Å²	65	73%	0.733	32%	0.316	S	S	*	.	H	α-helix	trans	-65.9	-32.4	177	-69.3	-11.6	0	0	0	111.6	L478 H482	L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.49Å; D480-H482 VanDerWaalsContact C-N 3.33Å; D480-H482 PolarHBondContact O-N 3.45Å
481	A	68.8	Low	79.1	Confident	37 Å²	37	61.8 Å²	61.8	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-76.1	-12.9	176.9	0	0	0	0	0	114.3	L478 R479 F483 S484 L485	L478-A481 WeakPolarHBondContact O-CB 3.45Å; L478-A481 PolarHBondContact O-N 3.49Å; L478-A481 VanDerWaalsContact O-N 3.07Å; R479-A481 VanDerWaalsContact C-N 3.26Å; R479-A481 PolarHBondContact O-N 2.99Å; A481-F483 VanDerWaalsContact C-N 3.32Å; A481-F483 PolarHBondContact O-N 3.06Å; A481-S484 WeakPolarHBondContact CA-OG 3.28Å; A481-S484 CarbonylContact O-C 3.58Å; A481-S484 PolarHBondContact O-N 2.81Å; A481-S484 VanDerWaalsContact O-N 3.08Å; A481-S484 PolarHBondContact O-OG 2.9Å; A481-L485 PolarHBondContact O-N 3.41Å
482	H	66.1	Low	78.2	Confident	18 Å²	18	66.4 Å²	66.4	8%	0.083	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.4	-40.3	-176.6	-83.7	36.6	0	0	0	113	L390 L478 R479 D480 S484 L485	L390-H482 WeakPolarHBondContact CD2-CE1 3.47Å; L478-H482 PolarHBondContact O-N 2.83Å; L478-H482 PolarHBondContact O-ND1 3.24Å; R479-H482 WeakPolarHBondContact O-CB 3.42Å; R479-H482 PolarHBondContact O-N 3.05Å; D480-H482 VanDerWaalsContact C-N 3.33Å; D480-H482 PolarHBondContact O-N 3.45Å; H482-S484 PolarHBondContact O-N 3.25Å; H482-L485 PolarHBondContact O-N 3.36Å
483	F	66.1	Low	77	Confident	139 Å²	139	67.2 Å²	67.2	61%	0.61	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-70.4	-21.5	179.7	-62.6	-74.5	0	0	0	113.5	R423 A481	R423-F483 PolarHBondContact NH1-O 3.32Å; A481-F483 VanDerWaalsContact C-N 3.32Å; A481-F483 PolarHBondContact O-N 3.06Å
484	S	68.7	Low	75.9	Confident	92 Å²	92	63.4 Å²	63.4	64%	0.643	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-95.4	1.8	176.4	48	0	0	0	0	114	A481 H482	A481-S484 WeakPolarHBondContact CA-OG 3.28Å; A481-S484 CarbonylContact O-C 3.58Å; A481-S484 PolarHBondContact O-N 2.81Å; A481-S484 VanDerWaalsContact O-N 3.08Å; A481-S484 PolarHBondContact O-OG 2.9Å; H482-S484 PolarHBondContact O-N 3.25Å
485	L	76.7	Confident	74.9	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64	138.2	173.4	-69.4	172.8	0	0	0	110.1	T260 V406 V421 R423 A481 H482	T260-L485 HydrophobicContact CG2-CD1 3.83Å; T260-L485 WeakPolarHBondContact OG1-CD1 3.37Å; V406-L485 HydrophobicContact CB-CD2 4.5Å; V406-L485 HydrophobicContact CG1-CD2 3.77Å; V406-L485 HydrophobicContact CG2-CD2 3.92Å; V421-L485 HydrophobicContact CG1-CD1 4.39Å; R423-L485 WeakPolarHBondContact CD-O 3.28Å; R423-L485 PolarHBondContact NH1-O 2.93Å; A481-L485 PolarHBondContact O-N 3.41Å; H482-L485 PolarHBondContact O-N 3.36Å
486	P	77.8	Confident	74	Confident	38 Å²	38	59.7 Å²	59.7	25%	0.247	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.5	163.8	174.7	29	-32.3	0	0	0	111	V406 C407 G422 R423	V406-P486 HydrophobicContact CG1-CG 3.82Å; C407-P486 HydrophobicContact CB-CG 4.45Å; C407-P486 WeakPolarHBondContact O-CG 3.49Å; G422-P486 CarbonylContact C-O 3.46Å; G422-P486 WeakPolarHBondContact CA-O 3.16Å; R423-P486 PolarHBondContact N-O 3.1Å
487	V	82.7	Confident	73.2	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-61.5	139.3	173.6	173.3	0	0	0	0	109.3	R423 P425 F491 E496 D499	R423-V487 HydrophobicContact CG-CG2 4.27Å; R423-V487 WeakPolarHBondContact O-CA 3.42Å; P425-V487 HydrophobicContact CG-CG1 3.75Å; P425-V487 HydrophobicContact CG-CG2 4.47Å; V487-F491 HydrophobicContact CG1-CB 4.18Å; V487-F491 HydrophobicContact CG1-CD2 4.3Å; V487-E496 HydrophobicContact CB-CB 4.37Å; V487-E496 HydrophobicContact CB-CG 4.18Å; V487-E496 HydrophobicContact CG2-CG 4.44Å; V487-D499 HydrophobicContact CG2-CB 3.98Å
488	H	83.7	Confident	72.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.8	134	176.2	-164.3	-42.4	0	0	0	110.3	H258 C420 R423 I490 F491	H258-H488 PolarHBondContact N-NE2 3.49Å; H258-H488 PolarHBondContact O-CD2 3.47Å; C420-H488 PolarHBondContact SG-CE1 3.22Å; R423-H488 PolarHBondContact O-N 2.87Å; H488-I490 WeakPolarHBondContact CE1-CD1 3.36Å; H488-I490 PolarHBondContact O-N 2.66Å; H488-F491 HydrophobicContact CB-CD2 4.1Å; H488-F491 HydrophobicContact CB-CE2 4.14Å; H488-F491 WeakPolarHBondContact O-CD2 3.45Å; H488-F491 PolarHBondContact O-N 2.88Å; H488-F491 VanDerWaalsContact O-N 3.09Å
489	Q	79.6	Confident	72.4	Confident	48 Å²	48	57.6 Å²	57.6	22%	0.224	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	0.8	176.9	-76	163.3	11.3	0	0	116.7	C407 Q408 W416	C407-Q489 WeakPolarHBondContact SG-CG 3.48Å; C407-Q489 PolarHBondContact SG-N 2.87Å; C407-Q489 VanDerWaalsContact SG-N 3.42Å; Q408-Q489 PolarHBondContact O-NE2 3.46Å; W416-Q489 VanDerWaalsContact CA-OE1 3.26Å; W416-Q489 HydrophobicContact CB-CB 3.69Å; W416-Q489 VanDerWaalsContact CB-OE1 3.23Å
490	I	82.1	Confident	72.5	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.092	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-19	178.8	-75.4	173	0	0	0	111.8	A257 V277 Y382 W416 H488	A257-I490 HydrophobicContact CB-CD1 3.26Å; V277-I490 HydrophobicContact CG1-CG2 3.55Å; V277-I490 HydrophobicContact CG2-CG2 4.35Å; Y382-I490 HydrophobicContact CD1-CD1 4.25Å; Y382-I490 HydrophobicContact CE1-CD1 3.95Å; Y382-I490 HydrophobicContact CE1-CG2 3.9Å; W416-I490 HydrophobicContact CD2-CD1 4.06Å; W416-I490 HydrophobicContact CD2-CG1 3.86Å; W416-I490 HydrophobicContact CE3-CD1 4.13Å; W416-I490 HydrophobicContact CE3-CG1 4.34Å; W416-I490 HydrophobicContact CG-CG1 4.11Å; W416-I490 HydrophobicContact CH2-CD1 3.88Å; W416-I490 HydrophobicContact CZ2-CD1 3.79Å; W416-I490 HydrophobicContact CZ2-CG1 4.19Å; W416-I490 HydrophobicContact CZ3-CD1 4.05Å; H488-I490 WeakPolarHBondContact CE1-CD1 3.36Å; H488-I490 PolarHBondContact O-N 2.66Å
491	F	81.5	Confident	72.9	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.026	28%	0.283	C	S	.	.	S	Bend	trans	-95.3	147.7	173.9	-56.3	-80.3	0	0	0	109.8	I259 I269 H272 A424 P425 V487 H488 N493	I259-F491 HydrophobicContact CD1-CE2 4.13Å; I259-F491 HydrophobicContact CD1-CZ 3.93Å; I259-F491 HydrophobicContact CG1-CE2 4.32Å; I259-F491 HydrophobicContact CG2-CE2 4.31Å; I259-F491 HydrophobicContact CG2-CZ 4.37Å; I269-F491 HydrophobicContact CG2-CZ 4.31Å; H272-F491 AromaticContact CD2-CD1 3.84Å; H272-F491 AromaticContact CD2-CE1 3.7Å; H272-F491 AromaticContact NE2-CD1 3.71Å; A424-F491 HydrophobicContact CB-CE1 4.42Å; A424-F491 HydrophobicContact CB-CE2 3.98Å; A424-F491 HydrophobicContact CB-CZ 3.76Å; P425-F491 VanDerWaalsContact CD-CG 3.48Å; P425-F491 HydrophobicContact CG-CB 3.62Å; P425-F491 HydrophobicContact CG-CD1 4.32Å; P425-F491 HydrophobicContact CG-CD2 4.3Å; P425-F491 HydrophobicContact CG-CG 3.85Å; V487-F491 HydrophobicContact CG1-CB 4.18Å; V487-F491 HydrophobicContact CG1-CD2 4.3Å; H488-F491 HydrophobicContact CB-CD2 4.1Å; H488-F491 HydrophobicContact CB-CE2 4.14Å; H488-F491 WeakPolarHBondContact O-CD2 3.45Å; H488-F491 PolarHBondContact O-N 2.88Å; H488-F491 VanDerWaalsContact O-N 3.09Å; F491-N493 PolarHBondContact O-N 2.92Å
492	D	71.5	Confident	73.2	Confident	98 Å²	98	53.5 Å²	53.5	52%	0.524	29%	0.287	S	S	.	.			trans	-57.6	133.6	-176.4	-59.8	-45.5	0	0	0	112.6	S494 A495	D492-S494 PolarHBondContact O-N 3.03Å; D492-A495 PolarHBondContact O-N 2.77Å
493	N	63.9	Low	73.6	Confident	80 Å²	80	55.4 Å²	55.4	43%	0.428	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-16.5	-179.6	-59.6	19.8	0	0	0	114.1	F491 K497	F491-N493 PolarHBondContact O-N 2.92Å; N493-K497 PolarHBondContact O-N 2.99Å
494	S	65.3	Low	74.1	Confident	82 Å²	82	54.5 Å²	54.5	57%	0.573	30%	0.295	S	S	*	.	H	α-helix	trans	-63.6	-44.5	173.1	49.4	0	0	0	0	111.9	D492 E496 K497	D492-S494 PolarHBondContact O-N 3.03Å; S494-E496 VanDerWaalsContact C-N 3.31Å; S494-E496 PolarHBondContact O-N 2.72Å; S494-K497 PolarHBondContact O-N 3.09Å
495	A	64.8	Low	74.7	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-72.6	-26	179.4	0	0	0	0	0	112.2	P425 I428 D492 D499	P425-A495 HydrophobicContact CB-CB 3.62Å; P425-A495 HydrophobicContact CG-CB 3.84Å; I428-A495 HydrophobicContact CD1-CB 3.85Å; D492-A495 PolarHBondContact O-N 2.77Å; A495-D499 WeakPolarHBondContact O-CB 3.37Å; A495-D499 PolarHBondContact O-N 3.14Å; A495-D499 VanDerWaalsContact O-N 3.09Å
496	E	67.3	Low	74.7	Confident	27 Å²	27	57.2 Å²	57.2	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-41.4	172.7	-174.3	176.6	-161.3	0	0	111.7	S409 V487 S494 E498 D499 V500	S409-E496 WeakPolarHBondContact CB-OE1 3.41Å; S409-E496 VanDerWaalsContact OG-CD 3.31Å; S409-E496 PolarHBondContact OG-OE1 2.88Å; V487-E496 HydrophobicContact CB-CB 4.37Å; V487-E496 HydrophobicContact CB-CG 4.18Å; V487-E496 HydrophobicContact CG2-CG 4.44Å; S494-E496 VanDerWaalsContact C-N 3.31Å; S494-E496 PolarHBondContact O-N 2.72Å; E496-E498 PolarHBondContact O-N 2.88Å; E496-D499 PolarHBondContact O-N 3.12Å; E496-D499 VanDerWaalsContact O-N 3.14Å; E496-V500 HydrophobicContact CG-CG2 4.23Å; E496-V500 WeakPolarHBondContact O-CB 3.48Å; E496-V500 VanDerWaalsContact O-CG2 3.3Å; E496-V500 WeakPolarHBondContact O-CG2 3.36Å; E496-V500 PolarHBondContact O-N 3.32Å
497	K	68.9	Low	74.7	Confident	154 Å²	154	56.6 Å²	56.6	67%	0.67	30%	0.302	S	S	*	.	H	α-helix	trans	-60.4	-44.4	178.4	-67.3	-178.6	-178.7	-176.1	0	112.3	N493 S494 D499 V500 T501	N493-K497 PolarHBondContact O-N 2.99Å; S494-K497 PolarHBondContact O-N 3.09Å; K497-D499 VanDerWaalsContact C-N 3.34Å; K497-V500 PolarHBondContact O-N 2.77Å; K497-T501 WeakPolarHBondContact O-CG2 3.45Å; K497-T501 PolarHBondContact O-N 2.98Å; K497-T501 PolarHBondContact O-OG1 3.13Å
498	E	72.4	Confident	74.6	Confident	97 Å²	97	60.1 Å²	60.1	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-40.6	174.4	-62.3	178.4	161.6	0	0	111.8	S427 E496 T501 N502	S427-E498 WeakPolarHBondContact CB-OE2 3.35Å; S427-E498 PolarHBondContact OG-OE2 3.16Å; E496-E498 PolarHBondContact O-N 2.88Å; E498-T501 PolarHBondContact O-OG1 3.05Å; E498-T501 VanDerWaalsContact O-OG1 3.13Å; E498-N502 WeakPolarHBondContact O-CB 3.39Å; E498-N502 PolarHBondContact O-N 3.31Å; E498-N502 PolarHBondContact O-ND2 3.48Å
499	D	72.2	Confident	74.5	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-33.7	179.7	-110.9	34.3	0	0	0	112.4	R423 R426 V487 A495 E496 K497 N503	R423-D499 IonicContact CZ-OD2 3.14Å; R423-D499 VanDerWaalsContact CZ-OD2 3.27Å; R423-D499 IonicContact NE-OD2 3.35Å; R423-D499 PolarHBondContact NE-OD2 3.03Å; R423-D499 VanDerWaalsContact NH2-CG 3.32Å; R423-D499 IonicContact NH2-OD2 3.47Å; R423-D499 PolarHBondContact NH2-OD2 2.88Å; R426-D499 VanDerWaalsContact CB-OD1 3.3Å; R426-D499 WeakPolarHBondContact CB-OD1 3.13Å; R426-D499 PolarHBondContact N-OD1 2.78Å; R426-D499 PolarHBondContact N-OD2 3.41Å; V487-D499 HydrophobicContact CG2-CB 3.98Å; A495-D499 WeakPolarHBondContact O-CB 3.37Å; A495-D499 PolarHBondContact O-N 3.14Å; A495-D499 VanDerWaalsContact O-N 3.09Å; E496-D499 PolarHBondContact O-N 3.12Å; E496-D499 VanDerWaalsContact O-N 3.14Å; K497-D499 VanDerWaalsContact C-N 3.34Å; D499-N503 WeakPolarHBondContact O-CB 3.49Å; D499-N503 PolarHBondContact O-N 3.19Å; D499-N503 PolarHBondContact O-ND2 3.44Å
500	V	73.7	Confident	74.3	Confident	62 Å²	62	71.8 Å²	71.8	38%	0.376	37%	0.371	S	S	.	.	H	α-helix	trans	-67.8	-53.3	173.6	169.8	0	0	0	0	110.3	E496 K497 N502 N503 E504	E496-V500 HydrophobicContact CG-CG2 4.23Å; E496-V500 WeakPolarHBondContact O-CB 3.48Å; E496-V500 VanDerWaalsContact O-CG2 3.3Å; E496-V500 WeakPolarHBondContact O-CG2 3.36Å; E496-V500 PolarHBondContact O-N 3.32Å; K497-V500 PolarHBondContact O-N 2.77Å; V500-N502 VanDerWaalsContact C-N 3.3Å; V500-N502 PolarHBondContact O-N 2.85Å; V500-N503 CarbonylContact O-C 3.6Å; V500-N503 WeakPolarHBondContact O-CA 3.45Å; V500-N503 WeakPolarHBondContact O-CB 3.44Å; V500-N503 PolarHBondContact O-N 3.42Å; V500-E504 WeakPolarHBondContact O-CG 3.47Å; V500-E504 PolarHBondContact O-N 3.17Å
501	T	77.1	Confident	73.8	Confident	67 Å²	67	78.5 Å²	78.5	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-38.8	177.9	56.6	0	0	0	0	111.8	K497 E498 N503 E504 I505	K497-T501 WeakPolarHBondContact O-CG2 3.45Å; K497-T501 PolarHBondContact O-N 2.98Å; K497-T501 PolarHBondContact O-OG1 3.13Å; E498-T501 PolarHBondContact O-OG1 3.05Å; E498-T501 VanDerWaalsContact O-OG1 3.13Å; T501-N503 PolarHBondContact O-N 3.48Å; T501-E504 PolarHBondContact O-N 3.47Å; T501-I505 WeakPolarHBondContact O-CB 3.35Å; T501-I505 WeakPolarHBondContact O-CD1 3.49Å; T501-I505 WeakPolarHBondContact O-CG1 3.38Å; T501-I505 PolarHBondContact O-N 2.89Å
502	N	75.9	Confident	73.4	Confident	71 Å²	71	83.1 Å²	83.1	38%	0.38	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-37.3	172.6	-78.6	-50.9	0	0	0	112.9	E498 V500 L506	E498-N502 WeakPolarHBondContact O-CB 3.39Å; E498-N502 PolarHBondContact O-N 3.31Å; E498-N502 PolarHBondContact O-ND2 3.48Å; V500-N502 VanDerWaalsContact C-N 3.3Å; V500-N502 PolarHBondContact O-N 2.85Å; N502-L506 WeakPolarHBondContact O-CB 3.34Å; N502-L506 WeakPolarHBondContact O-CG 3.23Å; N502-L506 PolarHBondContact O-N 3.26Å
503	N	73.6	Confident	73.2	Confident	59 Å²	59	85.6 Å²	85.6	32%	0.316	43%	0.433	S	S	.	.	H	α-helix	trans	-67.9	-38	173.6	-70.5	-30.5	0	0	0	111.7	R423 R426 D499 V500 T501 L506 G507	R423-N503 PolarHBondContact NH1-ND2 2.87Å; R423-N503 PolarHBondContact NH1-OD1 3.33Å; R423-N503 PolarHBondContact NH2-ND2 3.43Å; R423-N503 PolarHBondContact NH2-OD1 2.94Å; R423-N503 VanDerWaalsContact NH2-OD1 3.12Å; R426-N503 PolarHBondContact NH1-OD1 2.97Å; R426-N503 PolarHBondContact NH2-OD1 3.47Å; D499-N503 WeakPolarHBondContact O-CB 3.49Å; D499-N503 PolarHBondContact O-N 3.19Å; D499-N503 PolarHBondContact O-ND2 3.44Å; V500-N503 CarbonylContact O-C 3.6Å; V500-N503 WeakPolarHBondContact O-CA 3.45Å; V500-N503 WeakPolarHBondContact O-CB 3.44Å; V500-N503 PolarHBondContact O-N 3.42Å; T501-N503 PolarHBondContact O-N 3.48Å; N503-L506 PolarHBondContact O-N 2.92Å; N503-G507 PolarHBondContact O-N 3.48Å
504	E	77.4	Confident	73.5	Confident	119 Å²	119	87.7 Å²	87.7	56%	0.556	44%	0.443	S	S	*	.	H	α-helix	trans	-64.6	-48.2	175.4	-71.3	169.5	174.4	0	0	111	V500 T501 L506 G507 V508	V500-E504 WeakPolarHBondContact O-CG 3.47Å; V500-E504 PolarHBondContact O-N 3.17Å; T501-E504 PolarHBondContact O-N 3.47Å; E504-L506 VanDerWaalsContact C-N 3.33Å; E504-L506 PolarHBondContact O-N 3.22Å; E504-G507 CarbonylContact O-C 3.54Å; E504-G507 VanDerWaalsContact O-CA 3.31Å; E504-G507 WeakPolarHBondContact O-CA 3.47Å; E504-G507 PolarHBondContact O-N 2.86Å; E504-V508 PolarHBondContact O-N 3.44Å
505	I	80.9	Confident	73.8	Confident	90 Å²	90	87.1 Å²	87.1	46%	0.462	44%	0.437	S	S	.	.	H	α-helix	trans	-57.1	-45.8	173.6	-69.4	162.9	0	0	0	110.5	T501 G507 V508 I509	T501-I505 WeakPolarHBondContact O-CB 3.35Å; T501-I505 WeakPolarHBondContact O-CD1 3.49Å; T501-I505 WeakPolarHBondContact O-CG1 3.38Å; T501-I505 PolarHBondContact O-N 2.89Å; I505-G507 VanDerWaalsContact C-N 3.28Å; I505-G507 PolarHBondContact O-N 3.03Å; I505-V508 PolarHBondContact O-N 3.4Å; I505-I509 HydrophobicContact CG2-CD1 3.71Å; I505-I509 HydrophobicContact CG2-CG1 4.42Å; I505-I509 WeakPolarHBondContact O-CB 3.4Å; I505-I509 VanDerWaalsContact O-CG1 3.25Å; I505-I509 WeakPolarHBondContact O-CG1 3.45Å; I505-I509 PolarHBondContact O-N 3.43Å
506	L	77.5	Confident	74.1	Confident	70 Å²	70	89 Å²	89	37%	0.366	45%	0.449	S	S	.	.	H	α-helix	trans	-64.4	-31.7	173.9	-73.9	169.9	0	0	0	112.7	N502 N503 E504 R510	N502-L506 WeakPolarHBondContact O-CB 3.34Å; N502-L506 WeakPolarHBondContact O-CG 3.23Å; N502-L506 PolarHBondContact O-N 3.26Å; N503-L506 PolarHBondContact O-N 2.92Å; E504-L506 VanDerWaalsContact C-N 3.33Å; E504-L506 PolarHBondContact O-N 3.22Å; L506-R510 WeakPolarHBondContact O-CB 3.21Å; L506-R510 WeakPolarHBondContact O-CD 3.49Å; L506-R510 WeakPolarHBondContact O-CG 3.46Å; L506-R510 PolarHBondContact O-N 3.29Å
507	G	76.7	Confident	74.4	Confident	25 Å²	25	93.8 Å²	93.8	26%	0.258	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-49.1	171.5	0	0	0	0	0	111.8	N503 E504 I505 R510 Q511	N503-G507 PolarHBondContact O-N 3.48Å; E504-G507 CarbonylContact O-C 3.54Å; E504-G507 VanDerWaalsContact O-CA 3.31Å; E504-G507 WeakPolarHBondContact O-CA 3.47Å; E504-G507 PolarHBondContact O-N 2.86Å; I505-G507 VanDerWaalsContact C-N 3.28Å; I505-G507 PolarHBondContact O-N 3.03Å; G507-R510 PolarHBondContact O-N 3.32Å; G507-Q511 WeakPolarHBondContact O-CG 3.41Å; G507-Q511 PolarHBondContact O-N 3.27Å
508	V	80.9	Confident	74.4	Confident	83 Å²	83	91.2 Å²	91.2	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-49.1	174.3	175.6	0	0	0	0	110.6	E504 I505 R510 Q511 L512	E504-V508 PolarHBondContact O-N 3.44Å; I505-V508 PolarHBondContact O-N 3.4Å; V508-R510 VanDerWaalsContact C-N 3.27Å; V508-R510 PolarHBondContact O-N 2.88Å; V508-Q511 CarbonylContact O-C 3.58Å; V508-Q511 WeakPolarHBondContact O-CA 3.47Å; V508-Q511 WeakPolarHBondContact O-CB 3.41Å; V508-Q511 PolarHBondContact O-N 2.88Å; V508-L512 HydrophobicContact CG1-CG 4.43Å; V508-L512 WeakPolarHBondContact O-CG 3.42Å; V508-L512 PolarHBondContact O-N 2.9Å
509	I	80.8	Confident	74.3	Confident	85 Å²	85	88 Å²	88	44%	0.436	45%	0.448	S	S	.	.	H	α-helix	trans	-58.2	-38.2	178.2	-68.8	165.8	0	0	0	111.8	I505 Q511 L512	I505-I509 HydrophobicContact CG2-CD1 3.71Å; I505-I509 HydrophobicContact CG2-CG1 4.42Å; I505-I509 WeakPolarHBondContact O-CB 3.4Å; I505-I509 VanDerWaalsContact O-CG1 3.25Å; I505-I509 WeakPolarHBondContact O-CG1 3.45Å; I505-I509 PolarHBondContact O-N 3.43Å; I509-Q511 VanDerWaalsContact C-N 3.28Å; I509-Q511 PolarHBondContact O-N 2.88Å; I509-L512 PolarHBondContact O-N 2.89Å
510	R	75.4	Confident	74.3	Confident	208 Å²	208	91.2 Å²	91.2	79%	0.785	47%	0.474	S	S	*	.	H	α-helix	trans	-69	-23.6	175.1	-74.8	166.6	-179.8	-170.6	0.2	113.6	L506 G507 V508	L506-R510 WeakPolarHBondContact O-CB 3.21Å; L506-R510 WeakPolarHBondContact O-CD 3.49Å; L506-R510 WeakPolarHBondContact O-CG 3.46Å; L506-R510 PolarHBondContact O-N 3.29Å; G507-R510 PolarHBondContact O-N 3.32Å; V508-R510 VanDerWaalsContact C-N 3.27Å; V508-R510 PolarHBondContact O-N 2.88Å
511	Q	73.1	Confident	74.2	Confident	160 Å²	160	92.9 Å²	92.9	75%	0.748	48%	0.48	S	S	*	.	H	α-helix	trans	-88.9	-23.6	176.6	-68.2	174	12.2	0	0	112.6	G507 V508 I509 K513	G507-Q511 WeakPolarHBondContact O-CG 3.41Å; G507-Q511 PolarHBondContact O-N 3.27Å; V508-Q511 CarbonylContact O-C 3.58Å; V508-Q511 WeakPolarHBondContact O-CA 3.47Å; V508-Q511 WeakPolarHBondContact O-CB 3.41Å; V508-Q511 PolarHBondContact O-N 2.88Å; I509-Q511 VanDerWaalsContact C-N 3.28Å; I509-Q511 PolarHBondContact O-N 2.88Å; Q511-K513 PolarHBondContact O-N 2.68Å
512	L	73	Confident	73.7	Confident	103 Å²	103	91 Å²	91	54%	0.539	47%	0.474	S	S	.	.	S	Bend	trans	-63.6	118.4	175.8	-71.4	176.2	0	0	0	111.3	V508 I509 L514	V508-L512 HydrophobicContact CG1-CG 4.43Å; V508-L512 WeakPolarHBondContact O-CG 3.42Å; V508-L512 PolarHBondContact O-N 2.9Å; I509-L512 PolarHBondContact O-N 2.89Å; L512-L514 PolarHBondContact O-N 2.74Å
513	K	67.5	Low	73.4	Confident	150 Å²	150	94 Å²	94	65%	0.652	48%	0.484	S	S	*	.			trans	-73.2	68	174	-69.8	-172	177.5	-177.5	0	111.8	Q511 R537 D541	Q511-K513 PolarHBondContact O-N 2.68Å; K513-R537 PolarHBondContact O-NH2 2.87Å; K513-D541 IonicContact NZ-OD2 2.75Å; K513-D541 PolarHBondContact NZ-OD2 2.83Å
514	L	70.3	Confident	73.3	Confident	123 Å²	123	100 Å²	100	64%	0.644	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-51.3	127.9	178.4	-66.6	175.9	0	0	0	111.1	L512 R537	L512-L514 PolarHBondContact O-N 2.74Å; L514-R537 PolarHBondContact O-NH2 3.33Å
515	P	70.1	Confident	73.1	Confident	71 Å²	71	99.1 Å²	99.1	46%	0.461	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-61.4	143.3	175.2	26.3	-33.1	0	0	0	109.9	E519 A520	P515-E519 HydrophobicContact CB-CB 3.79Å; P515-A520 HydrophobicContact CB-CB 4.42Å; P515-A520 HydrophobicContact CG-CB 4.21Å
516	T	71.6	Confident	73	Confident	45 Å²	45	98.3 Å²	98.3	28%	0.276	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-67.4	159.6	171.8	60.9	0	0	0	0	110.2	F518 E519 A520 M533	T516-F518 PolarHBondContact O-N 3.04Å; T516-F518 VanDerWaalsContact O-N 3.07Å; T516-E519 WeakPolarHBondContact CB-OE2 3.35Å; T516-E519 PolarHBondContact N-OE2 2.67Å; T516-E519 CarbonylContact O-C 3.59Å; T516-E519 WeakPolarHBondContact O-CA 3.25Å; T516-E519 WeakPolarHBondContact O-CB 3.39Å; T516-E519 PolarHBondContact O-N 3.43Å; T516-E519 PolarHBondContact OG1-OE2 3.39Å; T516-A520 PolarHBondContact O-N 3.03Å; T516-M533 HydrophobicContact CG2-CE 3.55Å; T516-M533 WeakPolarHBondContact OG1-CE 3.26Å
517	I	73.9	Confident	73.1	Confident	127 Å²	127	99.2 Å²	99.2	65%	0.651	52%	0.519	S	S	*	.	H	α-helix	trans	-52.9	-37.2	-176.9	-64.7	169.5	0	0	0	111.5	E519 A520 L521	I517-E519 VanDerWaalsContact C-N 3.33Å; I517-E519 PolarHBondContact O-N 2.81Å; I517-A520 PolarHBondContact O-N 2.83Å; I517-L521 HydrophobicContact CG2-CD1 3.64Å; I517-L521 HydrophobicContact CG2-CG 4.13Å; I517-L521 WeakPolarHBondContact O-CB 3.37Å; I517-L521 VanDerWaalsContact O-CG 3.26Å; I517-L521 WeakPolarHBondContact O-CG 3.33Å; I517-L521 PolarHBondContact O-N 3.01Å
518	F	68.2	Low	73.3	Confident	100 Å²	100	105 Å²	105	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-69.6	-23.7	176.1	-56.2	-67.8	0	0	0	114.8	T516 A529 F530 M533	T516-F518 PolarHBondContact O-N 3.04Å; T516-F518 VanDerWaalsContact O-N 3.07Å; F518-A529 HydrophobicContact CB-CB 4.21Å; F518-A529 HydrophobicContact CD1-CB 3.61Å; F518-A529 HydrophobicContact CE1-CB 4.18Å; F518-A529 HydrophobicContact CG-CB 3.98Å; F518-F530 WeakPolarHBondContact O-CD2 3.42Å; F518-M533 HydrophobicContact CB-CG 4.21Å; F518-M533 HydrophobicContact CD2-CG 4.04Å; F518-M533 HydrophobicContact CG-CG 4.47Å
519	E	70.1	Confident	73.2	Confident	30 Å²	30	101.8 Å²	101.8	14%	0.14	52%	0.521	C	S	.	.	H	α-helix	trans	-87.1	-33.5	172.5	-65.8	165.9	114.9	0	0	111.3	P515 T516 I517 G522 F530 R537	P515-E519 HydrophobicContact CB-CB 3.79Å; T516-E519 WeakPolarHBondContact CB-OE2 3.35Å; T516-E519 PolarHBondContact N-OE2 2.67Å; T516-E519 CarbonylContact O-C 3.59Å; T516-E519 WeakPolarHBondContact O-CA 3.25Å; T516-E519 WeakPolarHBondContact O-CB 3.39Å; T516-E519 PolarHBondContact O-N 3.43Å; T516-E519 PolarHBondContact OG1-OE2 3.39Å; I517-E519 VanDerWaalsContact C-N 3.33Å; I517-E519 PolarHBondContact O-N 2.81Å; E519-G522 PolarHBondContact O-N 3.18Å; E519-F530 HydrophobicContact CB-CE2 4.36Å; E519-F530 HydrophobicContact CG-CE2 4.45Å; E519-R537 WeakPolarHBondContact OE1-CD 3.36Å; E519-R537 IonicContact OE1-CZ 2.96Å; E519-R537 IonicContact OE1-NE 2.68Å; E519-R537 IonicContact OE1-NH1 3.96Å; E519-R537 PolarHBondContact OE1-NH1 3.36Å; E519-R537 IonicContact OE2-CZ 2.66Å; E519-R537 IonicContact OE2-NE 3.49Å; E519-R537 PolarHBondContact OE2-NE 2.77Å; E519-R537 IonicContact OE2-NH1 3.56Å; E519-R537 PolarHBondContact OE2-NH1 2.89Å; E519-R537 VanDerWaalsContact OE2-NH1 3.14Å
520	A	72.9	Confident	73.3	Confident	68 Å²	68	100 Å²	100	56%	0.562	51%	0.51	S	S	*	.	H	α-helix	trans	-75.6	-34.5	-179.2	0	0	0	0	0	113.6	P515 T516 I517 G522	P515-A520 HydrophobicContact CB-CB 4.42Å; P515-A520 HydrophobicContact CG-CB 4.21Å; T516-A520 PolarHBondContact O-N 3.03Å; I517-A520 PolarHBondContact O-N 2.83Å; A520-G522 PolarHBondContact O-N 3.03Å
521	L	71.3	Confident	73.6	Confident	96 Å²	96	92.2 Å²	92.2	50%	0.503	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.8	173.8	-73.4	169.3	0	0	0	113.6	I517 V525	I517-L521 HydrophobicContact CG2-CD1 3.64Å; I517-L521 HydrophobicContact CG2-CG 4.13Å; I517-L521 WeakPolarHBondContact O-CB 3.37Å; I517-L521 VanDerWaalsContact O-CG 3.26Å; I517-L521 WeakPolarHBondContact O-CG 3.33Å; I517-L521 PolarHBondContact O-N 3.01Å; L521-V525 HydrophobicContact CB-CB 4.22Å; L521-V525 HydrophobicContact CB-CG2 4.18Å; L521-V525 HydrophobicContact CD1-CG1 4.44Å; L521-V525 WeakPolarHBondContact O-CG2 3.22Å
522	G	67.1	Low	74.1	Confident	27 Å²	27	87.7 Å²	87.7	28%	0.278	47%	0.474	S	S	.	.			trans	73.8	166.2	-179	0	0	0	0	0	113.8	E519 A520 H524	E519-G522 PolarHBondContact O-N 3.18Å; A520-G522 PolarHBondContact O-N 3.03Å; G522-H524 PolarHBondContact O-N 3.43Å; G522-H524 VanDerWaalsContact O-N 3.1Å
523	K	69.4	Low	74.5	Confident	136 Å²	136	84.9 Å²	84.9	59%	0.591	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-175.4	-66	177.1	-179.2	173.9	0	114.1	F530	K523-F530 HydrophobicContact CD-CE1 4.37Å; K523-F530 HydrophobicContact CG-CD1 3.93Å; K523-F530 HydrophobicContact CG-CD2 4.06Å; K523-F530 HydrophobicContact CG-CE1 3.86Å; K523-F530 HydrophobicContact CG-CE2 3.98Å; K523-F530 HydrophobicContact CG-CG 4.06Å; K523-F530 HydrophobicContact CG-CZ 3.9Å
524	H	71	Confident	75.2	Confident	185 Å²	185	79.8 Å²	79.8	86%	0.856	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.5	-169.6	-60.2	-78.3	0	0	0	114.2	G522	G522-H524 PolarHBondContact O-N 3.43Å; G522-H524 VanDerWaalsContact O-N 3.1Å
525	V	74.6	Confident	75.9	Confident	99 Å²	99	81.4 Å²	81.4	60%	0.6	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-39.8	-176.9	179.3	0	0	0	0	111.9	L521	L521-V525 HydrophobicContact CB-CB 4.22Å; L521-V525 HydrophobicContact CB-CG2 4.18Å; L521-V525 HydrophobicContact CD1-CG1 4.44Å; L521-V525 WeakPolarHBondContact O-CG2 3.22Å
526	N	77	Confident	76.6	Confident	74 Å²	74	84 Å²	84	40%	0.396	45%	0.446	S	S	.	.			trans	-156.4	92.9	176.4	-166.4	-34.3	0	0	0	111.1	E528 A529 F530	N526-E528 VanDerWaalsContact C-N 3.33Å; N526-E528 PolarHBondContact O-N 3.33Å; N526-A529 HydrophobicContact CB-CB 3.96Å; N526-A529 PolarHBondContact O-N 2.66Å; N526-A529 WeakPolarHBondContact OD1-CB 3.3Å; N526-A529 PolarHBondContact OD1-N 3.06Å; N526-A529 VanDerWaalsContact OD1-N 3.11Å; N526-F530 PolarHBondContact O-N 2.66Å
527	P	80	Confident	77	Confident	88 Å²	88	85.3 Å²	85.3	57%	0.571	45%	0.446	S	S	*	.	H	α-helix	trans	-67.5	-31.4	-172.3	25.9	-34.2	0	0	0	113	A531	P527-A531 VanDerWaalsContact O-CB 3.3Å; P527-A531 WeakPolarHBondContact O-CB 3.45Å; P527-A531 PolarHBondContact O-N 2.97Å
528	E	80.8	Confident	77.4	Confident	147 Å²	147	86.6 Å²	86.6	69%	0.687	45%	0.447	S	S	*	.	H	α-helix	trans	-72	-43.1	178.7	-169.3	177.4	-160.2	0	0	111.5	N526 A531 T532	N526-E528 VanDerWaalsContact C-N 3.33Å; N526-E528 PolarHBondContact O-N 3.33Å; E528-A531 PolarHBondContact O-N 3.24Å; E528-T532 WeakPolarHBondContact O-CB 3.45Å; E528-T532 WeakPolarHBondContact O-CG2 3.44Å; E528-T532 PolarHBondContact O-N 3.28Å; E528-T532 PolarHBondContact O-OG1 3.22Å
529	A	79.6	Confident	78.2	Confident	16 Å²	16	87.3 Å²	87.3	13%	0.132	46%	0.455	C	S	.	.	H	α-helix	trans	-62.5	-41.8	172.9	0	0	0	0	0	111.8	F518 N526 T532 M533	F518-A529 HydrophobicContact CB-CB 4.21Å; F518-A529 HydrophobicContact CD1-CB 3.61Å; F518-A529 HydrophobicContact CE1-CB 4.18Å; F518-A529 HydrophobicContact CG-CB 3.98Å; N526-A529 HydrophobicContact CB-CB 3.96Å; N526-A529 PolarHBondContact O-N 2.66Å; N526-A529 WeakPolarHBondContact OD1-CB 3.3Å; N526-A529 PolarHBondContact OD1-N 3.06Å; N526-A529 VanDerWaalsContact OD1-N 3.11Å; A529-T532 WeakPolarHBondContact CA-OG1 3.33Å; A529-T532 PolarHBondContact O-OG1 3.08Å; A529-T532 VanDerWaalsContact O-OG1 3.08Å; A529-M533 VanDerWaalsContact O-CB 3.31Å; A529-M533 WeakPolarHBondContact O-CB 3.27Å; A529-M533 VanDerWaalsContact O-CG 3.28Å; A529-M533 WeakPolarHBondContact O-CG 3.35Å; A529-M533 PolarHBondContact O-N 3.25Å
530	F	82	Confident	78.9	Confident	46 Å²	46	90.6 Å²	90.6	20%	0.202	47%	0.47	C	S	.	.	H	α-helix	trans	-60.4	-48.7	174.3	-176.2	-81.4	0	0	0	111.6	F518 E519 K523 N526 M533 T534	F518-F530 WeakPolarHBondContact O-CD2 3.42Å; E519-F530 HydrophobicContact CB-CE2 4.36Å; E519-F530 HydrophobicContact CG-CE2 4.45Å; K523-F530 HydrophobicContact CD-CE1 4.37Å; K523-F530 HydrophobicContact CG-CD1 3.93Å; K523-F530 HydrophobicContact CG-CD2 4.06Å; K523-F530 HydrophobicContact CG-CE1 3.86Å; K523-F530 HydrophobicContact CG-CE2 3.98Å; K523-F530 HydrophobicContact CG-CG 4.06Å; K523-F530 HydrophobicContact CG-CZ 3.9Å; N526-F530 PolarHBondContact O-N 2.66Å; F530-M533 PolarHBondContact O-N 2.98Å; F530-T534 WeakPolarHBondContact CE1-OG1 3.46Å; F530-T534 WeakPolarHBondContact O-CB 3.34Å; F530-T534 PolarHBondContact O-N 2.97Å; F530-T534 PolarHBondContact O-OG1 3.19Å
531	A	82.4	Confident	79.3	Confident	45 Å²	45	90 Å²	90	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-42.4	-177.8	0	0	0	0	0	112.5	P527 E528 K535	P527-A531 VanDerWaalsContact O-CB 3.3Å; P527-A531 WeakPolarHBondContact O-CB 3.45Å; P527-A531 PolarHBondContact O-N 2.97Å; E528-A531 PolarHBondContact O-N 3.24Å; A531-K535 WeakPolarHBondContact O-CB 3.44Å; A531-K535 WeakPolarHBondContact O-CG 3.48Å; A531-K535 PolarHBondContact O-N 3.43Å
532	T	84.5	Confident	79.7	Confident	66 Å²	66	92.9 Å²	92.9	41%	0.405	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-40.4	177.2	52.2	0	0	0	0	112	E528 A529 K535 K536	E528-T532 WeakPolarHBondContact O-CB 3.45Å; E528-T532 WeakPolarHBondContact O-CG2 3.44Å; E528-T532 PolarHBondContact O-N 3.28Å; E528-T532 PolarHBondContact O-OG1 3.22Å; A529-T532 WeakPolarHBondContact CA-OG1 3.33Å; A529-T532 PolarHBondContact O-OG1 3.08Å; A529-T532 VanDerWaalsContact O-OG1 3.08Å; T532-K535 PolarHBondContact O-N 3.39Å; T532-K536 WeakPolarHBondContact O-CG 3.4Å; T532-K536 PolarHBondContact O-N 2.98Å
533	M	81.4	Confident	80.5	Confident	44 Å²	44	95.1 Å²	95.1	22%	0.217	47%	0.473	C	S	.	.	H	α-helix	trans	-67	-43.4	174.7	-73	-58.8	-67.1	0	0	112.2	T516 F518 A529 F530 K535 K536 R537	T516-M533 HydrophobicContact CG2-CE 3.55Å; T516-M533 WeakPolarHBondContact OG1-CE 3.26Å; F518-M533 HydrophobicContact CB-CG 4.21Å; F518-M533 HydrophobicContact CD2-CG 4.04Å; F518-M533 HydrophobicContact CG-CG 4.47Å; A529-M533 VanDerWaalsContact O-CB 3.31Å; A529-M533 WeakPolarHBondContact O-CB 3.27Å; A529-M533 VanDerWaalsContact O-CG 3.28Å; A529-M533 WeakPolarHBondContact O-CG 3.35Å; A529-M533 PolarHBondContact O-N 3.25Å; F530-M533 PolarHBondContact O-N 2.98Å; M533-K535 VanDerWaalsContact C-N 3.33Å; M533-K535 PolarHBondContact O-N 2.91Å; M533-K536 PolarHBondContact O-N 2.98Å; M533-K536 HydrophobicContact SD-CD 4.4Å; M533-R537 WeakPolarHBondContact O-CB 3.4Å; M533-R537 PolarHBondContact O-N 2.81Å
534	T	81.7	Confident	81	Confident	43 Å²	43	93.5 Å²	93.5	26%	0.264	47%	0.469	S	S	.	.	H	α-helix	trans	-58.9	-43.7	175.3	-56	0	0	0	0	111.5	F530 R537 K538	F530-T534 WeakPolarHBondContact CE1-OG1 3.46Å; F530-T534 WeakPolarHBondContact O-CB 3.34Å; F530-T534 PolarHBondContact O-N 2.97Å; F530-T534 PolarHBondContact O-OG1 3.19Å; T534-R537 PolarHBondContact O-N 3.09Å; T534-K538 PolarHBondContact O-N 3.03Å; T534-K538 VanDerWaalsContact O-N 3.14Å
535	K	85.1	Confident	81.5	Confident	157 Å²	157	87.5 Å²	87.5	68%	0.683	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-47.1	174.5	-75.4	176.2	-179.5	-179.7	0	111.8	A531 T532 M533 R537 K538 L539	A531-K535 WeakPolarHBondContact O-CB 3.44Å; A531-K535 WeakPolarHBondContact O-CG 3.48Å; A531-K535 PolarHBondContact O-N 3.43Å; T532-K535 PolarHBondContact O-N 3.39Å; M533-K535 VanDerWaalsContact C-N 3.33Å; M533-K535 PolarHBondContact O-N 2.91Å; K535-R537 VanDerWaalsContact C-N 3.33Å; K535-R537 PolarHBondContact O-N 3.37Å; K535-K538 PolarHBondContact O-N 3.29Å; K535-L539 PolarHBondContact O-N 3.28Å
536	K	84.5	Confident	81.9	Confident	124 Å²	124	91.5 Å²	91.5	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-40.7	176.4	-80	-179.5	175.7	175.9	0	112.3	T532 M533 L539 H540	T532-K536 WeakPolarHBondContact O-CG 3.4Å; T532-K536 PolarHBondContact O-N 2.98Å; M533-K536 PolarHBondContact O-N 2.98Å; M533-K536 HydrophobicContact SD-CD 4.4Å; K536-L539 PolarHBondContact O-N 3.49Å; K536-H540 WeakPolarHBondContact O-CB 3.37Å; K536-H540 PolarHBondContact O-N 3.45Å
537	R	79.9	Confident	82	Confident	73 Å²	73	95.8 Å²	95.8	28%	0.275	47%	0.467	S	S	.	.	H	α-helix	trans	-63.5	-48	178.8	-127.6	164.2	174.1	-147.6	-5.5	111.7	K513 L514 E519 M533 T534 K535 L539 H540 D541	K513-R537 PolarHBondContact O-NH2 2.87Å; L514-R537 PolarHBondContact O-NH2 3.33Å; E519-R537 WeakPolarHBondContact OE1-CD 3.36Å; E519-R537 IonicContact OE1-CZ 2.96Å; E519-R537 IonicContact OE1-NE 2.68Å; E519-R537 IonicContact OE1-NH1 3.96Å; E519-R537 PolarHBondContact OE1-NH1 3.36Å; E519-R537 IonicContact OE2-CZ 2.66Å; E519-R537 IonicContact OE2-NE 3.49Å; E519-R537 PolarHBondContact OE2-NE 2.77Å; E519-R537 IonicContact OE2-NH1 3.56Å; E519-R537 PolarHBondContact OE2-NH1 2.89Å; E519-R537 VanDerWaalsContact OE2-NH1 3.14Å; M533-R537 WeakPolarHBondContact O-CB 3.4Å; M533-R537 PolarHBondContact O-N 2.81Å; T534-R537 PolarHBondContact O-N 3.09Å; K535-R537 VanDerWaalsContact C-N 3.33Å; K535-R537 PolarHBondContact O-N 3.37Å; R537-L539 VanDerWaalsContact C-N 3.26Å; R537-L539 PolarHBondContact O-N 3.44Å; R537-H540 PolarHBondContact O-N 3.48Å; R537-D541 WeakPolarHBondContact O-CB 3.43Å; R537-D541 PolarHBondContact O-N 3.02Å
538	K	82.8	Confident	81.8	Confident	154 Å²	154	94.3 Å²	94.3	67%	0.67	46%	0.462	S	S	*	.	H	α-helix	trans	-55	-40.4	174.1	-71.8	-175.9	176.7	-170.7	0	112.8	T534 K535	T534-K538 PolarHBondContact O-N 3.03Å; T534-K538 VanDerWaalsContact O-N 3.14Å; K535-K538 PolarHBondContact O-N 3.29Å
539	L	84.2	Confident	81.6	Confident	116 Å²	116	90 Å²	90	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-73.3	-43.6	179.2	-152.8	163.7	0	0	0	111.7	K535 K536 R537 I543	K535-L539 PolarHBondContact O-N 3.28Å; K536-L539 PolarHBondContact O-N 3.49Å; R537-L539 VanDerWaalsContact C-N 3.26Å; R537-L539 PolarHBondContact O-N 3.44Å; L539-I543 HydrophobicContact CD2-CD1 3.93Å
540	H	84.2	Confident	81.5	Confident	99 Å²	99	94.7 Å²	94.7	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-75	-28.4	-178.6	-73	-171.5	0	0	0	113.8	K536 R537 H542 I543 I544	K536-H540 WeakPolarHBondContact O-CB 3.37Å; K536-H540 PolarHBondContact O-N 3.45Å; R537-H540 PolarHBondContact O-N 3.48Å; H540-H542 VanDerWaalsContact C-N 3.31Å; H540-H542 PolarHBondContact O-N 3.41Å; H540-I543 CarbonylContact O-C 3.58Å; H540-I543 WeakPolarHBondContact O-CA 3.43Å; H540-I543 WeakPolarHBondContact O-CB 3.29Å; H540-I543 PolarHBondContact O-N 2.83Å; H540-I544 HydrophobicContact CB-CD1 4.07Å; H540-I544 WeakPolarHBondContact O-CB 3.33Å; H540-I544 VanDerWaalsContact O-CG1 3.27Å; H540-I544 WeakPolarHBondContact O-CG1 3.45Å; H540-I544 PolarHBondContact O-N 3.4Å
541	D	81.6	Confident	80.8	Confident	56 Å²	56	101.6 Å²	101.6	30%	0.299	50%	0.495	S	S	.	.	H	α-helix	trans	-57.7	-42.2	-177.5	-96	28.4	0	0	0	112	K513 R537 I544 A545	K513-D541 IonicContact NZ-OD2 2.75Å; K513-D541 PolarHBondContact NZ-OD2 2.83Å; R537-D541 WeakPolarHBondContact O-CB 3.43Å; R537-D541 PolarHBondContact O-N 3.02Å; D541-I544 PolarHBondContact O-N 2.94Å; D541-A545 VanDerWaalsContact O-CB 3.3Å; D541-A545 WeakPolarHBondContact O-CB 3.02Å; D541-A545 PolarHBondContact O-N 3.22Å
542	H	81.1	Confident	80	Confident	156 Å²	156	101.9 Å²	101.9	72%	0.722	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-38.1	173.7	-68.3	-74.9	0	0	0	112.9	H540 R546	H540-H542 VanDerWaalsContact C-N 3.31Å; H540-H542 PolarHBondContact O-N 3.41Å; H542-R546 WeakPolarHBondContact O-CB 3.41Å; H542-R546 PolarHBondContact O-N 3.05Å
543	I	83.2	Confident	79.1	Confident	74 Å²	74	102.9 Å²	102.9	38%	0.379	50%	0.503	S	S	.	.	H	α-helix	trans	-69.7	-40.9	178.9	-59.8	172.9	0	0	0	110.7	L539 H540 R547	L539-I543 HydrophobicContact CD2-CD1 3.93Å; H540-I543 CarbonylContact O-C 3.58Å; H540-I543 WeakPolarHBondContact O-CA 3.43Å; H540-I543 WeakPolarHBondContact O-CB 3.29Å; H540-I543 PolarHBondContact O-N 2.83Å; I543-R547 WeakPolarHBondContact O-CB 3.39Å; I543-R547 WeakPolarHBondContact O-CG 3.37Å; I543-R547 PolarHBondContact O-N 2.99Å
544	I	80.4	Confident	77.9	Confident	102 Å²	102	102 Å²	102	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-47.8	177.3	-67.7	164.4	0	0	0	109.6	H540 D541 R546 R547 A548	H540-I544 HydrophobicContact CB-CD1 4.07Å; H540-I544 WeakPolarHBondContact O-CB 3.33Å; H540-I544 VanDerWaalsContact O-CG1 3.27Å; H540-I544 WeakPolarHBondContact O-CG1 3.45Å; H540-I544 PolarHBondContact O-N 3.4Å; D541-I544 PolarHBondContact O-N 2.94Å; I544-R546 PolarHBondContact O-N 2.72Å; I544-R547 PolarHBondContact O-N 2.93Å; I544-A548 WeakPolarHBondContact O-CB 3.48Å; I544-A548 PolarHBondContact O-N 3.06Å
545	A	80.7	Confident	76.6	Confident	59 Å²	59	106.3 Å²	106.3	49%	0.488	52%	0.523	S	S	.	.	H	α-helix	trans	-57.9	-46.5	175.9	0	0	0	0	0	111.8	D541 R547 A548 A549	D541-A545 VanDerWaalsContact O-CB 3.3Å; D541-A545 WeakPolarHBondContact O-CB 3.02Å; D541-A545 PolarHBondContact O-N 3.22Å; A545-R547 PolarHBondContact O-N 2.78Å; A545-A548 PolarHBondContact O-N 3.41Å; A545-A549 WeakPolarHBondContact O-CB 3.4Å; A545-A549 PolarHBondContact O-N 2.85Å
546	R	82	Confident	74.9	Confident	182 Å²	182	103.5 Å²	103.5	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-60.1	-44.2	176.1	-174	175.2	-179	171.8	2	112.4	H542 I544 Q550	H542-R546 WeakPolarHBondContact O-CB 3.41Å; H542-R546 PolarHBondContact O-N 3.05Å; I544-R546 PolarHBondContact O-N 2.72Å; R546-Q550 WeakPolarHBondContact O-CB 3.34Å; R546-Q550 VanDerWaalsContact O-CG 3.29Å; R546-Q550 WeakPolarHBondContact O-CG 3.35Å; R546-Q550 PolarHBondContact O-N 2.9Å
547	R	79.3	Confident	72.9	Confident	165 Å²	165	102.2 Å²	102.2	62%	0.623	52%	0.517	S	S	*	.	H	α-helix	trans	-69.5	-34.5	177.2	-77.1	-179.9	173.3	175.2	-0.8	113.1	I543 I544 A545 R551	I543-R547 WeakPolarHBondContact O-CB 3.39Å; I543-R547 WeakPolarHBondContact O-CG 3.37Å; I543-R547 PolarHBondContact O-N 2.99Å; I544-R547 PolarHBondContact O-N 2.93Å; A545-R547 PolarHBondContact O-N 2.78Å; R547-R551 WeakPolarHBondContact O-CG 3.42Å; R547-R551 PolarHBondContact O-N 3.17Å
548	A	76.6	Confident	71.3	Confident	56 Å²	56	102.9 Å²	102.9	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-46	175.3	0	0	0	0	0	111	I544 A545 Q550 R551 A552	I544-A548 WeakPolarHBondContact O-CB 3.48Å; I544-A548 PolarHBondContact O-N 3.06Å; A545-A548 PolarHBondContact O-N 3.41Å; A548-Q550 PolarHBondContact O-N 3.32Å; A548-R551 PolarHBondContact O-N 2.86Å; A548-A552 PolarHBondContact O-N 3.4Å
549	A	77.4	Confident	69.6	Low	56 Å²	56	99.9 Å²	99.9	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-45.2	173.4	0	0	0	0	0	112	A545 R551 A552 V553	A545-A549 WeakPolarHBondContact O-CB 3.4Å; A545-A549 PolarHBondContact O-N 2.85Å; A549-R551 VanDerWaalsContact C-N 3.32Å; A549-R551 PolarHBondContact O-N 3.01Å; A549-A552 PolarHBondContact O-N 2.92Å; A549-V553 WeakPolarHBondContact O-CG2 3.44Å; A549-V553 PolarHBondContact O-N 2.92Å
550	Q	76.8	Confident	67.5	Low	115 Å²	115	100.7 Å²	100.7	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-38.7	174.4	-76.2	174.7	-28	0	0	112.9	R546 A548 G554	R546-Q550 WeakPolarHBondContact O-CB 3.34Å; R546-Q550 VanDerWaalsContact O-CG 3.29Å; R546-Q550 WeakPolarHBondContact O-CG 3.35Å; R546-Q550 PolarHBondContact O-N 2.9Å; A548-Q550 PolarHBondContact O-N 3.32Å; Q550-G554 PolarHBondContact O-N 3.14Å
551	R	67.2	Low	65.4	Low	192 Å²	192	102.1 Å²	102.1	73%	0.725	53%	0.53	S	S	*	.	H	α-helix	trans	-68	-41.6	174.6	-78.7	177.6	174.7	171.6	-3.1	112.5	R547 A548 A549 G554 Q555	R547-R551 WeakPolarHBondContact O-CG 3.42Å; R547-R551 PolarHBondContact O-N 3.17Å; A548-R551 PolarHBondContact O-N 2.86Å; A549-R551 VanDerWaalsContact C-N 3.32Å; A549-R551 PolarHBondContact O-N 3.01Å; R551-G554 CarbonylContact O-C 3.57Å; R551-G554 PolarHBondContact O-N 3.4Å; R551-Q555 WeakPolarHBondContact O-CB 3.36Å; R551-Q555 WeakPolarHBondContact O-CG 3.41Å; R551-Q555 PolarHBondContact O-N 3.12Å
552	A	66.5	Low	63.4	Low	51 Å²	51	102.3 Å²	102.3	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-48.8	177	0	0	0	0	0	111.4	A548 A549 G554 Q555 T556	A548-A552 PolarHBondContact O-N 3.4Å; A549-A552 PolarHBondContact O-N 2.92Å; A552-G554 VanDerWaalsContact C-N 3.28Å; A552-G554 PolarHBondContact O-N 3.38Å; A552-Q555 PolarHBondContact O-N 3.21Å; A552-Q555 VanDerWaalsContact O-N 3.12Å; A552-T556 PolarHBondContact O-N 2.78Å; A552-T556 PolarHBondContact O-OG1 2.99Å
553	V	64.4	Low	61.6	Low	87 Å²	87	100.7 Å²	100.7	53%	0.527	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-34.7	174.7	175.7	0	0	0	0	111.8	A549 T556 N557	A549-V553 WeakPolarHBondContact O-CG2 3.44Å; A549-V553 PolarHBondContact O-N 2.92Å; V553-T556 PolarHBondContact O-OG1 3.33Å; V553-N557 WeakPolarHBondContact O-CB 3.45Å; V553-N557 PolarHBondContact O-N 2.81Å; V553-N557 PolarHBondContact O-ND2 2.83Å
554	G	57.4	Low	59.6	Low	25 Å²	25	101.4 Å²	101.4	26%	0.258	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-36.6	173	0	0	0	0	0	113.4	Q550 R551 A552 N558	Q550-G554 PolarHBondContact O-N 3.14Å; R551-G554 CarbonylContact O-C 3.57Å; R551-G554 PolarHBondContact O-N 3.4Å; A552-G554 VanDerWaalsContact C-N 3.28Å; A552-G554 PolarHBondContact O-N 3.38Å; G554-N558 WeakPolarHBondContact O-CB 3.38Å; G554-N558 PolarHBondContact O-N 3.13Å; G554-N558 VanDerWaalsContact O-N 3.08Å; G554-N558 PolarHBondContact O-ND2 2.87Å
555	Q	54.1	Low	57.7	Low	134 Å²	134	102.8 Å²	102.8	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-76.3	-43.2	-179.9	-77.4	176	-39.5	0	0	112.4	R551 A552 N557 V559	R551-Q555 WeakPolarHBondContact O-CB 3.36Å; R551-Q555 WeakPolarHBondContact O-CG 3.41Å; R551-Q555 PolarHBondContact O-N 3.12Å; A552-Q555 PolarHBondContact O-N 3.21Å; A552-Q555 VanDerWaalsContact O-N 3.12Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.4Å; Q555-V559 HydrophobicContact CB-CG2 4.49Å; Q555-V559 WeakPolarHBondContact O-CB 3.48Å; Q555-V559 WeakPolarHBondContact O-CG2 3.46Å; Q555-V559 PolarHBondContact O-N 2.81Å
556	T	48.6	Very low	55.6	Low	98 Å²	98	109.7 Å²	109.7	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-38	177.4	52.9	0	0	0	0	112.2	A552 V553	A552-T556 PolarHBondContact O-N 2.78Å; A552-T556 PolarHBondContact O-OG1 2.99Å; V553-T556 PolarHBondContact O-OG1 3.33Å
557	N	42.5	Very low	53.4	Low	96 Å²	96	105.6 Å²	105.6	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-86.6	-31.2	-177.8	-70	-36.3	0	0	0	114.5	V553 Q555	V553-N557 WeakPolarHBondContact O-CB 3.45Å; V553-N557 PolarHBondContact O-N 2.81Å; V553-N557 PolarHBondContact O-ND2 2.83Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.4Å
558	N	46.1	Very low	51.4	Low	87 Å²	87	103 Å²	103	47%	0.465	54%	0.542	S	S	.	.	H	α-helix	trans	-99.4	-22	-173.9	-66.9	-58.8	0	0	0	116.1	G554 N562	G554-N558 WeakPolarHBondContact O-CB 3.38Å; G554-N558 PolarHBondContact O-N 3.13Å; G554-N558 VanDerWaalsContact O-N 3.08Å; G554-N558 PolarHBondContact O-ND2 2.87Å; N558-N562 WeakPolarHBondContact O-CB 3.13Å; N558-N562 PolarHBondContact OD1-ND2 2.86Å
559	V	46.7	Very low	49.2	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.558	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.5	-171.1	-178.5	0	0	0	0	112.7	Q555	Q555-V559 HydrophobicContact CB-CG2 4.49Å; Q555-V559 WeakPolarHBondContact O-CB 3.48Å; Q555-V559 WeakPolarHBondContact O-CG2 3.46Å; Q555-V559 PolarHBondContact O-N 2.81Å
560	L	41.2	Very low	47.2	Very low	132 Å²	132	108.1 Å²	108.1	69%	0.691	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-38.8	-177.7	-84.8	153.9	0	0	0	114.5	V564	L560-V564 VanDerWaalsContact O-CG2 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.29Å
561	K	39.1	Very low	45.4	Very low	129 Å²	129	107.3 Å²	107.3	56%	0.561	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-52.8	179	-74.4	-169.2	170.6	-169.4	0	113.1	L563 V564 E565	K561-L563 PolarHBondContact O-N 2.84Å; K561-L563 VanDerWaalsContact O-N 3.09Å; K561-V564 PolarHBondContact O-N 2.96Å; K561-E565 WeakPolarHBondContact O-CB 3.48Å; K561-E565 PolarHBondContact O-N 3.2Å
562	N	40.6	Very low	43.9	Very low	61 Å²	61	102.8 Å²	102.8	33%	0.326	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-12.6	-177.4	-83.3	-50.8	0	0	0	115.4	N558	N558-N562 WeakPolarHBondContact O-CB 3.13Å; N558-N562 PolarHBondContact OD1-ND2 2.86Å
563	L	42.5	Very low	42.6	Very low	122 Å²	122	107.9 Å²	107.9	64%	0.639	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-13.8	173.8	-124.9	81	0	0	0	113.7	K561	K561-L563 PolarHBondContact O-N 2.84Å; K561-L563 VanDerWaalsContact O-N 3.09Å
564	V	42	Very low	41.3	Very low	89 Å²	89	110.7 Å²	110.7	54%	0.539	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	-42.4	-177.9	177.7	0	0	0	0	110.6	L560 K561 R566 K567	L560-V564 VanDerWaalsContact O-CG2 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.29Å; K561-V564 PolarHBondContact O-N 2.96Å; V564-R566 VanDerWaalsContact C-N 3.28Å; V564-R566 PolarHBondContact O-N 2.68Å; V564-K567 WeakPolarHBondContact O-CB 3.42Å; V564-K567 PolarHBondContact O-N 3.47Å
565	E	39.5	Very low	40.3	Very low	130 Å²	130	112.8 Å²	112.8	61%	0.607	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-5.3	-179.2	-65.9	167.2	178.2	0	0	113.6	K561	K561-E565 WeakPolarHBondContact O-CB 3.48Å; K561-E565 PolarHBondContact O-N 3.2Å
566	R	38.2	Very low	39.1	Very low	205 Å²	205	110.5 Å²	110.5	77%	0.774	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	8.9	167.1	-80.1	-175.9	171	144.4	2.3	113.8	V564	V564-R566 VanDerWaalsContact C-N 3.28Å; V564-R566 PolarHBondContact O-N 2.68Å
567	K	35.9	Very low	38.2	Very low	95 Å²	95	110.7 Å²	110.7	41%	0.413	61%	0.608	S	S	.	*	S	Bend	trans	-81.8	127.9	166.2	-62.7	-175.2	173.3	-167.4	0	108.6	E403 V564	E403-K567 WeakPolarHBondContact OE1-CE 3.39Å; E403-K567 IonicContact OE1-NZ 3.63Å; E403-K567 PolarHBondContact OE1-NZ 3.24Å; E403-K567 IonicContact OE2-NZ 3Å; E403-K567 PolarHBondContact OE2-NZ 2.79Å; V564-K567 WeakPolarHBondContact O-CB 3.42Å; V564-K567 PolarHBondContact O-N 3.47Å
568	V	37	Very low	37.8	Very low	111 Å²	111	114 Å²	114	67%	0.673	63%	0.626	S	S	*	*	S	Bend	trans	66.6	63.6	166.6	-157.3	0	0	0	0	116.5
569	S	30	Very low	37.2	Very low	72 Å²	72	114.2 Å²	114.2	50%	0.503	64%	0.639	S	S	.	*			trans	-141	26	155.8	-52.2	0	0	0	0	113.4
570	L	35	Very low	36.5	Very low	148 Å²	148	117 Å²	117	78%	0.775	65%	0.651	S	S	*	*	S	Bend	trans	-104	1.7	170.3	-103.7	153.5	0	0	0	112.5
571	T	39.2	Very low	36.2	Very low	97 Å²	97	118.5 Å²	118.5	60%	0.595	66%	0.66	S	S	*	*	S	Bend	trans	-88.8	-28.7	164.5	23.4	0	0	0	0	112.2
572	D	36.6	Very low	35.8	Very low	98 Å²	98	121.3 Å²	121.3	52%	0.524	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-89.9	-22.1	-172.9	-44.6	-45.7	0	0	0	112.7	L574 G575	D572-L574 PolarHBondContact O-N 3.08Å; D572-G575 PolarHBondContact O-N 3.22Å
573	Q	37.4	Very low	35.4	Very low	158 Å²	158	127.7 Å²	127.7	74%	0.738	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-83.4	9.5	177	-65.1	-172.2	-13.2	0	0	114.1
574	L	38.5	Very low	34.9	Very low	146 Å²	146	126.4 Å²	126.4	76%	0.764	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-118.5	12.4	169.5	-83.9	161.9	0	0	0	112.3	D572	D572-L574 PolarHBondContact O-N 3.08Å
575	G	34.9	Very low	34.5	Very low	68 Å²	68	128 Å²	128	70%	0.701	71%	0.712	S	S	*	*	S	Bend	trans	-137	13	179.6	0	0	0	0	0	114.7	D572	D572-G575 PolarHBondContact O-N 3.22Å
576	A	30.8	Very low	34.1	Very low	87 Å²	87	129 Å²	129	72%	0.719	72%	0.721	S	S	*	*			trans	-124.9	65.1	-173.2	0	0	0	0	0	112.2
577	C	29	Very low	34.1	Very low	101 Å²	101	125.8 Å²	125.8	68%	0.682	72%	0.719	S	S	*	*			trans	-142.1	109.3	166	55.2	0	0	0	0	110.7
578	N	33	Very low	34.2	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	74%	0.739	S	S	*	*			trans	70.3	140.4	170.7	-45.9	-25.7	0	0	0	114.6
579	A	34.7	Very low	34.4	Very low	91 Å²	91	132.1 Å²	132.1	75%	0.752	75%	0.748	S	S	*	*			cis	-148.5	167.4	-4.9	0	0	0	0	0	110
580	N	32.3	Very low	35	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	75%	0.751	S	S	*	*			trans	-65.3	129.6	152.7	-52.6	-31.4	0	0	0	107.2
581	D	34.4	Very low	35.5	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	76%	0.755	S	S	*	*				-177.1	143.7	128.6	-90.3	-21.1	0	0	0	109.9
582	E	30.7	Very low	35.8	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	77%	0.77	S	S	*	*			trans	-78.7	131	179.9	-56.2	174.7	148.3	0	0	109.8
583	M	33.1	Very low	36.3	Very low	194 Å²	194	142.8 Å²	142.8	96%	0.956	78%	0.778	S	S	*	*			trans	-165.3	137.7	134	-103.5	-156.7	175.3	0	0	111.8
584	S	31.3	Very low	37	Very low	96 Å²	96	141.6 Å²	141.6	67%	0.671	78%	0.781	S	S	*	*			trans	-86.2	137.5	175.6	55.4	0	0	0	0	111.1
585	D	34	Very low	37.5	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	77%	0.769	S	S	*	*				158.1	144.2	120.9	-81.8	-9.5	0	0	0	113.5
586	N	31.2	Very low	38.6	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	78%	0.78	S	S	*	*			trans	60	77.2	154.7	-57.2	-32.3	0	0	0	119
587	L	36.9	Very low	40.2	Very low	137 Å²	137	145.3 Å²	145.3	72%	0.717	77%	0.767	S	S	*	*			trans	-139.2	77.8	160.7	-86.7	110.3	0	0	0	114.2	I590	L587-I590 HydrophobicContact CD2-CD1 3.22Å; L587-I590 HydrophobicContact CD2-CG1 3.82Å
588	E	38.1	Very low	41.7	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	77%	0.766	S	S	*	*			trans	-76.3	136.3	147.1	-62.9	-174.8	152.3	0	0	108.6
589	N	42.4	Very low	43.3	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	76%	0.763	S	S	*	*			trans	103.3	34.7	172.6	-53.5	-70.8	0	0	0	121.4
590	I	41.1	Very low	44.8	Very low	114 Å²	114	145 Å²	145	59%	0.585	75%	0.752	S	S	*	*			trans	-115.3	10.8	171.3	-59.7	-163.9	0	0	0	116.1	L587 F592	L587-I590 HydrophobicContact CD2-CD1 3.22Å; L587-I590 HydrophobicContact CD2-CG1 3.82Å; I590-F592 PolarHBondContact O-N 3.07Å
591	D	46.9	Very low	46.7	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	4.7	177.7	-78.4	-15.8	0	0	0	116.3
592	F	44.2	Very low	48	Very low	210 Å²	210	137.3 Å²	137.3	92%	0.921	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	13.1	-173.1	-74	-75.4	0	0	0	116.3	I590	I590-F592 PolarHBondContact O-N 3.07Å
593	F	46.7	Very low	50	Low	158 Å²	158	132.3 Å²	132.3	69%	0.693	70%	0.703	S	S	*	*			trans	-122.8	107	177.4	-165	-105.3	0	0	0	112.5	P595	F593-P595 HydrophobicContact CE1-CB 4.22Å
594	V	52.4	Low	51.2	Low	133 Å²	133	128 Å²	128	81%	0.806	68%	0.681	S	S	*	*			trans	-84.4	117.2	161.1	179.8	0	0	0	0	106.7
595	P	48.7	Very low	52.8	Low	77 Å²	77	127.8 Å²	127.8	50%	0.5	67%	0.672	S	S	.	*			trans	-58.5	144.2	177.4	23.8	-32.7	0	0	0	110.7	F593 S597	F593-P595 HydrophobicContact CE1-CB 4.22Å; P595-S597 PolarHBondContact O-N 3.05Å
596	Y	59.7	Low	54.1	Low	238 Å²	238	125.3 Å²	125.3	93%	0.933	68%	0.675	S	S	*	*	S	Bend	trans	-64.7	-24.5	-175.2	-165	-92.2	0	0	0	112.7
597	S	63.7	Low	55.4	Low	64 Å²	64	124.8 Å²	124.8	45%	0.448	67%	0.672	S	S	.	*	S	Bend	trans	-105	153.5	179.7	50.4	0	0	0	0	112.9	P595 E601	P595-S597 PolarHBondContact O-N 3.05Å; S597-E601 WeakPolarHBondContact CA-OE2 3.38Å; S597-E601 WeakPolarHBondContact CB-OE2 3.45Å
598	R	60.1	Low	56	Low	173 Å²	173	120.7 Å²	120.7	65%	0.653	66%	0.655	S	S	*	*			trans	-78.9	152	170.6	-65.9	-178.9	177.8	144.9	1.6	111.1	D600 E601 E604	R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 PolarHBondContact O-N 3.29Å; R598-E601 HydrophobicContact CB-CB 4.15Å; R598-E601 PolarHBondContact N-OE2 2.97Å; R598-E601 WeakPolarHBondContact O-CB 3.48Å; R598-E601 PolarHBondContact O-N 3.49Å; R598-E604 IonicContact NH1-OE2 2.64Å; R598-E604 PolarHBondContact NH1-OE2 3.01Å
599	G	67.8	Low	56.4	Low	81 Å²	81	118.5 Å²	118.5	84%	0.835	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-41.3	174.3	0	0	0	0	0	112.9	E601	G599-E601 VanDerWaalsContact C-N 3.28Å; G599-E601 PolarHBondContact O-N 3.42Å
600	D	65.7	Low	56.4	Low	98 Å²	98	117.2 Å²	117.2	52%	0.524	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	9	175.7	-63.1	-51.5	0	0	0	114.2	R598 A602 T603 E604	R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 PolarHBondContact O-N 3.29Å; D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 2.87Å; D600-T603 CarbonylContact O-C 3.57Å; D600-T603 WeakPolarHBondContact O-CA 3.39Å; D600-T603 WeakPolarHBondContact O-CB 3.43Å; D600-T603 PolarHBondContact O-N 3.18Å; D600-T603 PolarHBondContact O-OG1 2.92Å; D600-E604 PolarHBondContact O-N 2.93Å
601	E	71.1	Confident	56.3	Low	69 Å²	69	114.6 Å²	114.6	32%	0.322	65%	0.647	S	S	.	*	H	α-helix	trans	-67.2	-28.9	-173	-174.5	163.1	154.9	0	0	113.1	S597 R598 G599 T603 N605	S597-E601 WeakPolarHBondContact CA-OE2 3.38Å; S597-E601 WeakPolarHBondContact CB-OE2 3.45Å; R598-E601 HydrophobicContact CB-CB 4.15Å; R598-E601 PolarHBondContact N-OE2 2.97Å; R598-E601 WeakPolarHBondContact O-CB 3.48Å; R598-E601 PolarHBondContact O-N 3.49Å; G599-E601 VanDerWaalsContact C-N 3.28Å; G599-E601 PolarHBondContact O-N 3.42Å; E601-T603 VanDerWaalsContact C-N 3.33Å; E601-N605 WeakPolarHBondContact CG-ND2 3.22Å; E601-N605 WeakPolarHBondContact O-CA 3.38Å; E601-N605 WeakPolarHBondContact O-CB 3.43Å; E601-N605 PolarHBondContact O-N 3.1Å; E601-N605 PolarHBondContact O-ND2 2.98Å
602	A	61.7	Low	55.8	Low	84 Å²	84	114 Å²	114	69%	0.694	65%	0.649	S	S	*	*	H	α-helix	trans	-65.9	-38.3	171.2	0	0	0	0	0	111.6	D600 G606	D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 2.87Å; A602-G606 PolarHBondContact O-N 3.18Å
603	T	72.3	Confident	55.3	Low	83 Å²	83	113.8 Å²	113.8	51%	0.509	65%	0.648	S	S	.	*	H	α-helix	trans	-74.3	-44.4	178.5	-13.5	0	0	0	0	111.6	D600 E601 G606 L607	D600-T603 CarbonylContact O-C 3.57Å; D600-T603 WeakPolarHBondContact O-CA 3.39Å; D600-T603 WeakPolarHBondContact O-CB 3.43Å; D600-T603 PolarHBondContact O-N 3.18Å; D600-T603 PolarHBondContact O-OG1 2.92Å; E601-T603 VanDerWaalsContact C-N 3.33Å; T603-G606 PolarHBondContact O-N 3.39Å; T603-L607 WeakPolarHBondContact O-CB 3.49Å; T603-L607 WeakPolarHBondContact O-CG 3.36Å; T603-L607 PolarHBondContact O-N 2.85Å
604	E	59.2	Low	55.1	Low	105 Å²	105	111 Å²	111	49%	0.491	65%	0.647	S	S	.	*	H	α-helix	trans	-64.1	-38.8	171.6	-76.5	-155.7	124.6	0	0	111.2	R598 D600 L607 S608	R598-E604 IonicContact NH1-OE2 2.64Å; R598-E604 PolarHBondContact NH1-OE2 3.01Å; D600-E604 PolarHBondContact O-N 2.93Å; E604-L607 CarbonylContact O-C 3.58Å; E604-L607 VanDerWaalsContact O-C 3.29Å; E604-L607 PolarHBondContact O-N 3.22Å; E604-S608 WeakPolarHBondContact O-CA 3.33Å; E604-S608 VanDerWaalsContact O-CB 3.29Å; E604-S608 WeakPolarHBondContact O-CB 3.3Å; E604-S608 PolarHBondContact O-N 2.92Å
605	N	64.7	Low	55.2	Low	91 Å²	91	112 Å²	112	49%	0.487	64%	0.644	S	S	.	*	H	α-helix	trans	-69.4	-38.6	176.1	-77.6	-26.3	0	0	0	112.1	E601 L607 S608	E601-N605 WeakPolarHBondContact CG-ND2 3.22Å; E601-N605 WeakPolarHBondContact O-CA 3.38Å; E601-N605 WeakPolarHBondContact O-CB 3.43Å; E601-N605 PolarHBondContact O-N 3.1Å; E601-N605 PolarHBondContact O-ND2 2.98Å; N605-L607 PolarHBondContact O-N 3Å; N605-S608 WeakPolarHBondContact O-CB 3.43Å; N605-S608 PolarHBondContact O-N 3.14Å; N605-S608 PolarHBondContact O-OG 3.39Å
606	G	62.4	Low	55.3	Low	71 Å²	71	115.5 Å²	115.5	73%	0.732	65%	0.651	S	S	*	*	H	α-helix	trans	-63.5	-23.8	170.5	0	0	0	0	0	113.7	A602 T603	A602-G606 PolarHBondContact O-N 3.18Å; T603-G606 PolarHBondContact O-N 3.39Å
607	L	58.1	Low	55	Low	139 Å²	139	107.3 Å²	107.3	73%	0.728	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-0	171.5	-66.9	168.3	0	0	0	113.1	T603 E604 N605 I609	T603-L607 WeakPolarHBondContact O-CB 3.49Å; T603-L607 WeakPolarHBondContact O-CG 3.36Å; T603-L607 PolarHBondContact O-N 2.85Å; E604-L607 CarbonylContact O-C 3.58Å; E604-L607 VanDerWaalsContact O-C 3.29Å; E604-L607 PolarHBondContact O-N 3.22Å; N605-L607 PolarHBondContact O-N 3Å; L607-I609 PolarHBondContact O-N 2.88Å
608	S	49.1	Very low	54.5	Low	51 Å²	51	111.1 Å²	111.1	36%	0.357	64%	0.642	S	S	.	*			trans	-82.2	120.7	-171.7	75.9	0	0	0	0	111.6	E604 N605 T610	E604-S608 WeakPolarHBondContact O-CA 3.33Å; E604-S608 VanDerWaalsContact O-CB 3.29Å; E604-S608 WeakPolarHBondContact O-CB 3.3Å; E604-S608 PolarHBondContact O-N 2.92Å; N605-S608 WeakPolarHBondContact O-CB 3.43Å; N605-S608 PolarHBondContact O-N 3.14Å; N605-S608 PolarHBondContact O-OG 3.39Å; S608-T610 PolarHBondContact O-N 2.93Å; S608-T610 VanDerWaalsContact O-N 3.09Å
609	I	45.5	Very low	54.2	Low	133 Å²	133	107.6 Å²	107.6	68%	0.682	64%	0.636	S	S	*	*	S	Bend	trans	-85.2	23.6	-175.7	-58.5	157.9	0	0	0	110.6	L607 C617	L607-I609 PolarHBondContact O-N 2.88Å; I609-C617 HydrophobicContact CG2-CB 4.12Å
610	T	42.7	Very low	54.1	Low	132 Å²	132	105.8 Å²	105.8	81%	0.81	61%	0.614	S	S	*	*			trans	-132.3	36.7	-166.6	48.6	0	0	0	0	114.5	S608	S608-T610 PolarHBondContact O-N 2.93Å; S608-T610 VanDerWaalsContact O-N 3.09Å
611	G	39.4	Very low	53.6	Low	60 Å²	60	104.5 Å²	104.5	62%	0.619	62%	0.617	S	S	*	*	S	Bend	trans	-107.1	135.2	156.1	0	0	0	0	0	109.8
612	T	35.8	Very low	53	Low	143 Å²	143	105.3 Å²	105.3	88%	0.877	64%	0.635	S	S	*	*	S	Bend	trans	-62.1	136.6	-174.8	45.5	0	0	0	0	112.7
613	K	34.6	Very low	53.1	Low	207 Å²	207	105 Å²	105	90%	0.9	63%	0.632	S	S	*	*			trans	88.8	76.9	179.2	-52.3	172.1	-179.7	176.4	0	117
614	S	43.4	Very low	52.2	Low	98 Å²	98	105.1 Å²	105.1	69%	0.685	64%	0.636	S	S	*	*			trans	-158	131.4	139.5	-176.2	0	0	0	0	111.1	F616	S614-F616 PolarHBondContact O-N 3.39Å; S614-F616 WeakPolarHBondContact OG-CB 3.33Å; S614-F616 PolarHBondContact OG-N 2.97Å
615	Q	54.1	Low	51.5	Low	156 Å²	156	106.9 Å²	106.9	73%	0.729	65%	0.648	S	S	*	*			trans	-74.6	-11.5	175.2	-76.4	147.5	-75.2	0	0	112.7	C617 L618 D619	Q615-C617 PolarHBondContact O-N 2.98Å; Q615-L618 PolarHBondContact O-N 3.24Å; Q615-D619 PolarHBondContact O-N 3.25Å
616	F	49.4	Very low	50.5	Low	150 Å²	150	109.9 Å²	109.9	66%	0.658	67%	0.665	S	S	*	*	H	α-helix	trans	-63.5	-43.2	-162.2	-167.6	-103	0	0	0	115.3	S614 L618 D619 A620	S614-F616 PolarHBondContact O-N 3.39Å; S614-F616 WeakPolarHBondContact OG-CB 3.33Å; S614-F616 PolarHBondContact OG-N 2.97Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 3.12Å; F616-D619 PolarHBondContact O-N 3.22Å; F616-A620 WeakPolarHBondContact O-CB 3.42Å; F616-A620 PolarHBondContact O-N 3.26Å
617	C	54	Low	49.6	Very low	65 Å²	65	114.1 Å²	114.1	44%	0.439	67%	0.67	S	S	.	*	H	α-helix	trans	-70.3	-28.4	-179.4	-66.3	0	0	0	0	113.3	I609 Q615 A621	I609-C617 HydrophobicContact CG2-CB 4.12Å; Q615-C617 PolarHBondContact O-N 2.98Å; C617-A621 VanDerWaalsContact O-CB 3.28Å; C617-A621 WeakPolarHBondContact O-CB 3.28Å; C617-A621 PolarHBondContact O-N 3.43Å; C617-A621 VanDerWaalsContact O-N 3.07Å
618	L	52.8	Low	48.8	Very low	144 Å²	144	113.5 Å²	113.5	75%	0.754	67%	0.674	S	S	*	*	H	α-helix	trans	-75	-41.3	173.9	-83.9	163.1	0	0	0	111	Q615 F616 A621 A622	Q615-L618 PolarHBondContact O-N 3.24Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 3.12Å; L618-A621 PolarHBondContact O-N 3.3Å; L618-A622 WeakPolarHBondContact O-CB 3.22Å; L618-A622 PolarHBondContact O-N 3.43Å
619	D	54.7	Low	48.4	Very low	100 Å²	100	118.6 Å²	118.6	54%	0.535	70%	0.697	S	S	.	*	H	α-helix	trans	-68.1	-37.6	174.6	-70.7	-25.9	0	0	0	111.8	Q615 F616 A622 A623	Q615-D619 PolarHBondContact O-N 3.25Å; F616-D619 PolarHBondContact O-N 3.22Å; D619-A622 CarbonylContact O-C 3.57Å; D619-A622 PolarHBondContact O-N 3.3Å; D619-A623 VanDerWaalsContact O-CB 3.24Å; D619-A623 WeakPolarHBondContact O-CB 3.24Å; D619-A623 PolarHBondContact O-N 2.75Å
620	A	64.9	Low	48	Very low	43 Å²	43	119.5 Å²	119.5	36%	0.355	70%	0.703	S	S	.	*	H	α-helix	trans	-66.9	-39.3	175.2	0	0	0	0	0	112.4	F616 A622 A623 S624	F616-A620 WeakPolarHBondContact O-CB 3.42Å; F616-A620 PolarHBondContact O-N 3.26Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.06Å; A620-A623 PolarHBondContact O-N 2.73Å; A620-S624 PolarHBondContact O-N 3.08Å
621	A	56.5	Low	47.7	Very low	71 Å²	71	122.3 Å²	122.3	59%	0.587	71%	0.707	S	S	*	*	H	α-helix	trans	-72.1	-19.9	172.8	0	0	0	0	0	113.3	C617 L618	C617-A621 VanDerWaalsContact O-CB 3.28Å; C617-A621 WeakPolarHBondContact O-CB 3.28Å; C617-A621 PolarHBondContact O-N 3.43Å; C617-A621 VanDerWaalsContact O-N 3.07Å; L618-A621 PolarHBondContact O-N 3.3Å
622	A	57.6	Low	47.6	Very low	86 Å²	86	124.2 Å²	124.2	71%	0.711	71%	0.711	S	S	*	*	H	α-helix	trans	-84.7	-19.8	168.6	0	0	0	0	0	112.9	L618 D619 A620	L618-A622 WeakPolarHBondContact O-CB 3.22Å; L618-A622 PolarHBondContact O-N 3.43Å; D619-A622 CarbonylContact O-C 3.57Å; D619-A622 PolarHBondContact O-N 3.3Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.06Å
623	A	63.9	Low	47.5	Very low	77 Å²	77	126.5 Å²	126.5	64%	0.636	71%	0.712	S	S	*	*	H	α-helix	trans	-96.4	-17.2	-179.4	0	0	0	0	0	114.3	D619 A620 L625	D619-A623 VanDerWaalsContact O-CB 3.24Å; D619-A623 WeakPolarHBondContact O-CB 3.24Å; D619-A623 PolarHBondContact O-N 2.75Å; A620-A623 PolarHBondContact O-N 2.73Å; A623-L625 PolarHBondContact O-N 2.85Å
624	S	54.4	Low	47.4	Very low	85 Å²	85	125.1 Å²	125.1	59%	0.594	71%	0.709	S	S	*	*			trans	-72.4	125.8	176.4	56.7	0	0	0	0	111.5	A620	A620-S624 PolarHBondContact O-N 3.08Å
625	L	42.8	Very low	47.1	Very low	142 Å²	142	127.3 Å²	127.3	74%	0.743	72%	0.718	S	S	*	*			trans	-132.3	71.9	-168.3	-155.8	164.3	0	0	0	109.6	A623	A623-L625 PolarHBondContact O-N 2.85Å
626	D	45.3	Very low	46.1	Very low	154 Å²	154	127.1 Å²	127.1	82%	0.824	72%	0.716	S	S	*	*			trans	-71.2	134	174.6	-80.8	-29.1	0	0	0	111.1	P628	D626-P628 VanDerWaalsContact O-CD 3.22Å; D626-P628 WeakPolarHBondContact O-CD 3.42Å
627	L	41.9	Very low	45.3	Very low	161 Å²	161	123.9 Å²	123.9	84%	0.843	73%	0.726	S	S	*	*			trans	-92.4	104.2	178.9	-76	144.8	0	0	0	109.7
628	P	42.7	Very low	44.2	Very low	125 Å²	125	124 Å²	124	81%	0.812	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-77.7	134.3	173.6	32.1	-33.4	0	0	0	110.2	D626	D626-P628 VanDerWaalsContact O-CD 3.22Å; D626-P628 WeakPolarHBondContact O-CD 3.42Å
629	N	39.9	Very low	43.3	Very low	159 Å²	159	124 Å²	124	85%	0.85	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-75.6	155	174.1	-156	23.6	0	0	0	111	E631	N629-E631 PolarHBondContact O-N 2.99Å
630	D	37.3	Very low	42.3	Very low	151 Å²	151	123.7 Å²	123.7	81%	0.807	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-64.8	125.1	-179.3	-76.1	-56.5	0	0	0	112.3
631	E	36.3	Very low	40.9	Very low	191 Å²	191	125.9 Å²	125.9	89%	0.893	78%	0.781	S	S	*	*				-174.8	168.4	124.3	-103.9	-177.2	179.7	0	0	112.9	N629	N629-E631 PolarHBondContact O-N 2.99Å
632	S	36.6	Very low	40	Very low	101 Å²	101	127.1 Å²	127.1	71%	0.706	79%	0.786	S	S	*	*			trans	-62.8	149.2	-157.9	59.5	0	0	0	0	119.7
633	Q	35.6	Very low	39	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	79%	0.794	S	S	*	*			trans	80.3	114.5	159.5	-60	-170.3	17.1	0	0	119.6
634	Q	32.4	Very low	38	Very low	178 Å²	178	132.8 Å²	132.8	83%	0.832	79%	0.794	S	S	*	*			trans	-79	122.7	178.8	-63	171	-29.4	0	0	112.9
635	V	36	Very low	37.6	Very low	143 Å²	143	139.3 Å²	139.3	87%	0.867	81%	0.806	S	S	*	*			trans	-135.7	107.6	150.4	-175.1	0	0	0	0	108.5
636	H	34.3	Very low	38.2	Very low	152 Å²	152	138.5 Å²	138.5	70%	0.704	80%	0.796	S	S	*	*			trans	-68.9	133.7	178.4	-69.2	-80.4	0	0	0	111.2
637	G	32.1	Very low	39.6	Very low	83 Å²	83	136 Å²	136	86%	0.856	78%	0.782	S	S	*	*			trans	-170.4	38.6	179.2	0	0	0	0	0	115
638	G	29.8	Very low	40.9	Very low	67 Å²	67	131 Å²	131	69%	0.691	76%	0.758	S	S	*	*			trans	-138.3	114.4	-178.3	0	0	0	0	0	112.8
639	V	34	Very low	42.7	Very low	143 Å²	143	130.9 Å²	130.9	87%	0.867	74%	0.742	S	S	*	*			trans	47.4	121.2	149.6	-163.3	0	0	0	0	119.6
640	A	35.2	Very low	44.2	Very low	94 Å²	94	124.6 Å²	124.6	78%	0.777	71%	0.708	S	S	*	*	S	Bend	trans	64.3	134.5	154.3	0	0	0	0	0	120.9	S642	A640-S642 PolarHBondContact O-N 3.39Å; A640-S642 VanDerWaalsContact O-N 3.09Å
641	G	34.9	Very low	46	Very low	89 Å²	89	126.3 Å²	126.3	92%	0.918	70%	0.703	S	S	*	*	S	Bend		87.5	-14.2	121.9	0	0	0	0	0	120.1
642	S	36.3	Very low	47.7	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	70%	0.702	S	S	*	*			trans	-152.3	90.1	169.5	-164.9	0	0	0	0	114.2	A640 S644	A640-S642 PolarHBondContact O-N 3.39Å; A640-S642 VanDerWaalsContact O-N 3.09Å; S642-S644 PolarHBondContact O-N 3.35Å
643	H	38	Very low	49.5	Very low	190 Å²	190	127.9 Å²	127.9	88%	0.88	69%	0.691	S	S	*	*			trans	-72.1	84.1	152.1	-83.8	-4.6	0	0	0	108.9	R645	H643-R645 PolarHBondContact O-N 3.12Å
644	S	42.4	Very low	51.6	Low	91 Å²	91	127 Å²	127	64%	0.636	68%	0.684	S	S	*	*			trans	-42.1	112.2	152.4	170	0	0	0	0	107.2	S642 K646	S642-S644 PolarHBondContact O-N 3.35Å; S644-K646 VanDerWaalsContact C-N 3.27Å; S644-K646 PolarHBondContact O-N 3.47Å
645	R	46.6	Very low	53.9	Low	222 Å²	222	124.9 Å²	124.9	84%	0.838	67%	0.669	S	S	*	*			trans	-66.7	89.8	-169.6	-61.7	177.4	-165.1	155.7	5.4	107.6	H643 L647	H643-R645 PolarHBondContact O-N 3.12Å; R645-L647 VanDerWaalsContact C-N 3.29Å; R645-L647 PolarHBondContact O-N 3.03Å
646	K	55.1	Low	55.9	Low	126 Å²	126	124.2 Å²	124.2	55%	0.548	65%	0.654	S	S	.	*			trans	-61.7	95.8	176.8	-76.4	-175.1	179.7	176	0	107.8	S644 V648 M659	S644-K646 VanDerWaalsContact C-N 3.27Å; S644-K646 PolarHBondContact O-N 3.47Å; K646-V648 PolarHBondContact O-N 2.67Å; K646-M659 PolarHBondContact O-N 3.42Å
647	L	75	Confident	57.6	Low	100 Å²	100	117.6 Å²	117.6	52%	0.524	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.5	114.5	176.4	-75.3	172.1	0	0	0	107.9	R645 F656 T657	R645-L647 VanDerWaalsContact C-N 3.29Å; R645-L647 PolarHBondContact O-N 3.03Å; L647-F656 HydrophobicContact CB-CB 4.02Å; L647-F656 HydrophobicContact CB-CD1 4.05Å; L647-F656 HydrophobicContact CB-CG 4.41Å; L647-F656 HydrophobicContact CD1-CB 4.22Å; L647-F656 HydrophobicContact CD2-CB 4.5Å; L647-F656 HydrophobicContact CG-CB 4.48Å; L647-T657 CarbonylContact C-O 3.58Å; L647-T657 WeakPolarHBondContact CA-O 3.38Å
648	V	69.1	Low	59.2	Low	56 Å²	56	115.2 Å²	115.2	34%	0.339	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	133.9	174.3	-178.9	0	0	0	0	108.3	K646 D650 T657 M659 A662	K646-V648 PolarHBondContact O-N 2.67Å; V648-D650 PolarHBondContact O-N 2.91Å; V648-D650 VanDerWaalsContact O-N 3.15Å; V648-T657 PolarHBondContact N-O 3.43Å; V648-T657 PolarHBondContact O-N 3.23Å; V648-T657 VanDerWaalsContact O-O 3.1Å; V648-T657 PolarHBondContact O-OG1 2.87Å; V648-M659 HydrophobicContact CG2-CB 4.25Å; V648-M659 HydrophobicContact CG2-CG 3.99Å; V648-A662 HydrophobicContact CB-CB 3.66Å; V648-A662 HydrophobicContact CG1-CB 3.59Å; V648-A662 HydrophobicContact CG2-CB 4.1Å
649	W	79.1	Confident	60.7	Low	124 Å²	124	116.7 Å²	116.7	47%	0.47	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.8	108.9	174.9	-179.8	-102.6	0	0	0	110.6	R651 K654 F656	W649-R651 PolarHBondContact O-N 2.88Å; W649-K654 WeakPolarHBondContact CH2-O 3.48Å; W649-K654 HydrophobicContact CZ2-CB 4.28Å; W649-F656 HydrophobicContact CB-CD1 4.29Å; W649-F656 HydrophobicContact CB-CE1 4Å; W649-F656 HydrophobicContact CE3-CD1 4.15Å; W649-F656 AromaticContact CE3-CD2 3.62Å; W649-F656 HydrophobicContact CE3-CD2 3.62Å; W649-F656 HydrophobicContact CE3-CE1 4.06Å; W649-F656 AromaticContact CE3-CE2 3.52Å; W649-F656 HydrophobicContact CE3-CE2 3.52Å; W649-F656 AromaticContact CE3-CG 3.94Å; W649-F656 HydrophobicContact CE3-CG 3.94Å; W649-F656 AromaticContact CE3-CZ 3.75Å; W649-F656 HydrophobicContact CE3-CZ 3.75Å; W649-F656 AromaticContact CZ3-CD2 3.8Å; W649-F656 HydrophobicContact CZ3-CD2 3.8Å; W649-F656 AromaticContact CZ3-CE2 3.75Å; W649-F656 HydrophobicContact CZ3-CE2 3.75Å; W649-F656 HydrophobicContact CZ3-CG 4.48Å; W649-F656 HydrophobicContact CZ3-CZ 4.4Å
650	D	72.1	Confident	61.7	Low	26 Å²	26	115 Å²	115	14%	0.139	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	101.6	172.4	-178.1	-14.8	0	0	0	108.7	V648 K652 R653 K654 R655 T657	V648-D650 PolarHBondContact O-N 2.91Å; V648-D650 VanDerWaalsContact O-N 3.15Å; D650-K652 PolarHBondContact O-N 3.39Å; D650-K652 PolarHBondContact OD1-N 2.98Å; D650-R653 HydrophobicContact CB-CB 4.18Å; D650-R653 PolarHBondContact O-N 3.08Å; D650-R653 VanDerWaalsContact O-N 3.15Å; D650-R653 PolarHBondContact OD1-N 3.19Å; D650-R653 WeakPolarHBondContact OD2-CD 3.41Å; D650-R653 WeakPolarHBondContact OD2-CG 3.45Å; D650-K654 PolarHBondContact O-N 3.41Å; D650-R655 PolarHBondContact N-O 2.97Å; D650-T657 HydrophobicContact CB-CG2 3.84Å
651	R	75.3	Confident	62.6	Low	188 Å²	188	111.1 Å²	111.1	71%	0.709	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	179.1	-80.2	-174.4	165.7	-169.5	-4.7	113.5	W649	W649-R651 PolarHBondContact O-N 2.88Å
652	K	72.9	Confident	63.4	Low	201 Å²	201	109.2 Å²	109.2	87%	0.874	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-36.8	177.9	-80.1	-168.8	173.1	-173.9	0	111.9	D650	D650-K652 PolarHBondContact O-N 3.39Å; D650-K652 PolarHBondContact OD1-N 2.98Å
653	R	73	Confident	64.2	Low	124 Å²	124	110.9 Å²	110.9	47%	0.468	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0	-177.4	-58.9	179.7	97.9	163.1	9.1	113.9	D650 R655	D650-R653 HydrophobicContact CB-CB 4.18Å; D650-R653 PolarHBondContact O-N 3.08Å; D650-R653 VanDerWaalsContact O-N 3.15Å; D650-R653 PolarHBondContact OD1-N 3.19Å; D650-R653 WeakPolarHBondContact OD2-CD 3.41Å; D650-R653 WeakPolarHBondContact OD2-CG 3.45Å; R653-R655 HydrophobicContact CB-CG 3.99Å; R653-R655 PolarHBondContact O-N 3.46Å; R653-R655 VanDerWaalsContact O-N 3.07Å
654	K	80.2	Confident	64.9	Low	173 Å²	173	103.5 Å²	103.5	75%	0.752	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	36.9	-177.2	-63.8	-175.3	179.3	178.9	0	113	W649 D650	W649-K654 WeakPolarHBondContact CH2-O 3.48Å; W649-K654 HydrophobicContact CZ2-CB 4.28Å; D650-K654 PolarHBondContact O-N 3.41Å
655	R	80.9	Confident	65.3	Low	133 Å²	133	106.2 Å²	106.2	50%	0.502	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.6	-179.5	72.5	-173.3	-172.6	174.5	4.2	111.3	D650 R653 T657	D650-R655 PolarHBondContact N-O 2.97Å; R653-R655 HydrophobicContact CB-CG 3.99Å; R653-R655 PolarHBondContact O-N 3.46Å; R653-R655 VanDerWaalsContact O-N 3.07Å; R655-T657 HydrophobicContact CG-CG2 3.9Å
656	F	77.8	Confident	65.4	Low	129 Å²	129	98.4 Å²	98.4	57%	0.566	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.2	169.4	-77.8	-73.7	0	0	0	110.3	L647 W649	L647-F656 HydrophobicContact CB-CB 4.02Å; L647-F656 HydrophobicContact CB-CD1 4.05Å; L647-F656 HydrophobicContact CB-CG 4.41Å; L647-F656 HydrophobicContact CD1-CB 4.22Å; L647-F656 HydrophobicContact CD2-CB 4.5Å; L647-F656 HydrophobicContact CG-CB 4.48Å; W649-F656 HydrophobicContact CB-CD1 4.29Å; W649-F656 HydrophobicContact CB-CE1 4Å; W649-F656 HydrophobicContact CE3-CD1 4.15Å; W649-F656 AromaticContact CE3-CD2 3.62Å; W649-F656 HydrophobicContact CE3-CD2 3.62Å; W649-F656 HydrophobicContact CE3-CE1 4.06Å; W649-F656 AromaticContact CE3-CE2 3.52Å; W649-F656 HydrophobicContact CE3-CE2 3.52Å; W649-F656 AromaticContact CE3-CG 3.94Å; W649-F656 HydrophobicContact CE3-CG 3.94Å; W649-F656 AromaticContact CE3-CZ 3.75Å; W649-F656 HydrophobicContact CE3-CZ 3.75Å; W649-F656 AromaticContact CZ3-CD2 3.8Å; W649-F656 HydrophobicContact CZ3-CD2 3.8Å; W649-F656 AromaticContact CZ3-CE2 3.75Å; W649-F656 HydrophobicContact CZ3-CE2 3.75Å; W649-F656 HydrophobicContact CZ3-CG 4.48Å; W649-F656 HydrophobicContact CZ3-CZ 4.4Å
657	T	69.3	Low	65.1	Low	13 Å²	13	97.1 Å²	97.1	8%	0.08	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.5	-180	64.9	0	0	0	0	109.9	L647 V648 D650 R655	L647-T657 CarbonylContact C-O 3.58Å; L647-T657 WeakPolarHBondContact CA-O 3.38Å; V648-T657 PolarHBondContact N-O 3.43Å; V648-T657 PolarHBondContact O-N 3.23Å; V648-T657 VanDerWaalsContact O-O 3.1Å; V648-T657 PolarHBondContact O-OG1 2.87Å; D650-T657 HydrophobicContact CB-CG2 3.84Å; R655-T657 HydrophobicContact CG-CG2 3.9Å
658	G	66.6	Low	64.1	Low	33 Å²	33	96.8 Å²	96.8	34%	0.34	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	154.4	178.9	0	0	0	0	0	112.4	D660 A661 A662	G658-D660 PolarHBondContact O-N 2.92Å; G658-D660 VanDerWaalsContact O-N 3.1Å; G658-A661 WeakPolarHBondContact O-CA 3.27Å; G658-A661 VanDerWaalsContact O-CB 3.27Å; G658-A661 WeakPolarHBondContact O-CB 3.47Å; G658-A661 PolarHBondContact O-N 3.24Å; G658-A662 PolarHBondContact O-N 2.77Å
659	M	60.2	Low	63.9	Low	98 Å²	98	102.5 Å²	102.5	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-56.3	-31.3	-176.8	-160	162.2	89.4	0	0	113.2	K646 V648 A661 A662 H663	K646-M659 PolarHBondContact O-N 3.42Å; V648-M659 HydrophobicContact CG2-CB 4.25Å; V648-M659 HydrophobicContact CG2-CG 3.99Å; M659-A661 VanDerWaalsContact C-N 3.3Å; M659-A661 PolarHBondContact O-N 2.97Å; M659-A662 PolarHBondContact O-N 2.98Å; M659-H663 PolarHBondContact O-N 2.76Å; M659-H663 PolarHBondContact O-ND1 2.98Å
660	D	55.7	Low	63.6	Low	106 Å²	106	103.6 Å²	103.6	57%	0.567	50%	0.495	S	S	*	.	H	α-helix	trans	-65.9	-26.5	173.1	-59	-62.4	0	0	0	114.2	G658 K665 A666	G658-D660 PolarHBondContact O-N 2.92Å; G658-D660 VanDerWaalsContact O-N 3.1Å; D660-K665 WeakPolarHBondContact O-CB 3.41Å; D660-K665 PolarHBondContact O-N 3.07Å; D660-K665 VanDerWaalsContact O-N 3.13Å; D660-A666 PolarHBondContact O-N 3.48Å
661	A	53.8	Low	63.7	Low	13 Å²	13	105.3 Å²	105.3	11%	0.107	50%	0.503	C	S	.	.	H	α-helix	trans	-74.1	-42.5	172.5	0	0	0	0	0	111.4	G658 M659 H663 G664 A666	G658-A661 WeakPolarHBondContact O-CA 3.27Å; G658-A661 VanDerWaalsContact O-CB 3.27Å; G658-A661 WeakPolarHBondContact O-CB 3.47Å; G658-A661 PolarHBondContact O-N 3.24Å; M659-A661 VanDerWaalsContact C-N 3.3Å; M659-A661 PolarHBondContact O-N 2.97Å; A661-H663 VanDerWaalsContact C-N 3.33Å; A661-H663 PolarHBondContact O-N 3.35Å; A661-G664 PolarHBondContact O-N 3.18Å; A661-G664 VanDerWaalsContact O-N 3.13Å; A661-A666 VanDerWaalsContact CA-CB 3.46Å; A661-A666 HydrophobicContact CB-CB 3.64Å
662	A	51.4	Low	63.7	Low	49 Å²	49	102.5 Å²	102.5	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-33.3	176.5	0	0	0	0	0	113.1	V648 G658 M659 G664	V648-A662 HydrophobicContact CB-CB 3.66Å; V648-A662 HydrophobicContact CG1-CB 3.59Å; V648-A662 HydrophobicContact CG2-CB 4.1Å; G658-A662 PolarHBondContact O-N 2.77Å; M659-A662 PolarHBondContact O-N 2.98Å; A662-G664 PolarHBondContact O-N 3.46Å
663	H	54.9	Low	63.5	Low	134 Å²	134	93.5 Å²	93.5	62%	0.62	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	13.9	174.1	-70.1	82	0	0	0	113.7	M659 A661 K665	M659-H663 PolarHBondContact O-N 2.76Å; M659-H663 PolarHBondContact O-ND1 2.98Å; A661-H663 VanDerWaalsContact C-N 3.33Å; A661-H663 PolarHBondContact O-N 3.35Å; H663-K665 PolarHBondContact O-N 3.36Å; H663-K665 VanDerWaalsContact O-N 3.12Å
664	G	50.9	Low	63.3	Low	34 Å²	34	95.6 Å²	95.6	35%	0.351	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-15.3	175.4	0	0	0	0	0	115.5	A661 A662 A666 N667	A661-G664 PolarHBondContact O-N 3.18Å; A661-G664 VanDerWaalsContact O-N 3.13Å; A662-G664 PolarHBondContact O-N 3.46Å; G664-A666 VanDerWaalsContact C-N 3.34Å; G664-A666 PolarHBondContact O-N 3.04Å; G664-N667 PolarHBondContact O-N 3.05Å
665	K	52.6	Low	62.5	Low	149 Å²	149	89.6 Å²	89.6	65%	0.648	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-59.2	-40.9	178.5	-71.3	-175.4	175.6	-179.4	0	112.2	D660 H663 N667 M668	D660-K665 WeakPolarHBondContact O-CB 3.41Å; D660-K665 PolarHBondContact O-N 3.07Å; D660-K665 VanDerWaalsContact O-N 3.13Å; H663-K665 PolarHBondContact O-N 3.36Å; H663-K665 VanDerWaalsContact O-N 3.12Å; K665-N667 VanDerWaalsContact C-N 3.32Å; K665-N667 PolarHBondContact O-N 3.08Å; K665-M668 WeakPolarHBondContact O-CB 3.34Å; K665-M668 WeakPolarHBondContact O-CG 3.2Å; K665-M668 PolarHBondContact O-N 3.32Å
666	A	48	Very low	61.9	Low	57 Å²	57	84.7 Å²	84.7	47%	0.471	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-83.5	1.7	176.5	0	0	0	0	0	115.3	D660 A661 G664	D660-A666 PolarHBondContact O-N 3.48Å; A661-A666 VanDerWaalsContact CA-CB 3.46Å; A661-A666 HydrophobicContact CB-CB 3.64Å; G664-A666 VanDerWaalsContact C-N 3.34Å; G664-A666 PolarHBondContact O-N 3.04Å
667	N	48	Very low	61.5	Low	100 Å²	100	80.9 Å²	80.9	54%	0.535	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-88.4	-5.5	166.7	-85.1	-23.3	0	0	0	112.6	G664 K665 K669	G664-N667 PolarHBondContact O-N 3.05Å; K665-N667 VanDerWaalsContact C-N 3.32Å; K665-N667 PolarHBondContact O-N 3.08Å; N667-K669 PolarHBondContact O-N 3.19Å; N667-K669 VanDerWaalsContact O-N 3.08Å
668	M	55.4	Low	61.6	Low	92 Å²	92	87 Å²	87	45%	0.453	45%	0.453	S	S	.	.	S	Bend	trans	-66.1	108.1	163.1	-57.3	-172.8	87.7	0	0	107.7	K665 R670 P680	K665-M668 WeakPolarHBondContact O-CB 3.34Å; K665-M668 WeakPolarHBondContact O-CG 3.2Å; K665-M668 PolarHBondContact O-N 3.32Å; M668-R670 PolarHBondContact O-N 2.85Å; M668-P680 HydrophobicContact CE-CB 3.91Å; M668-P680 HydrophobicContact CE-CG 4.48Å; M668-P680 HydrophobicContact SD-CB 4.44Å
669	K	63.1	Low	61.8	Low	177 Å²	177	86 Å²	86	77%	0.77	44%	0.44	S	S	*	.			trans	-47.3	135.5	164.5	-67.1	-178.5	178.9	-177.6	0	107.2	N667 A681	N667-K669 PolarHBondContact O-N 3.19Å; N667-K669 VanDerWaalsContact O-N 3.08Å; K669-A681 HydrophobicContact CB-CB 3.78Å; K669-A681 WeakPolarHBondContact O-CB 3.48Å; K669-A681 PolarHBondContact O-N 3.17Å
670	R	74.2	Confident	62.4	Low	146 Å²	146	83 Å²	83	55%	0.551	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	141	175.8	-64.2	176.4	82.8	170.4	4.6	109.1	M668 W678 I679	M668-R670 PolarHBondContact O-N 2.85Å; R670-W678 HydrophobicContact CB-CB 4.43Å; R670-W678 HydrophobicContact CB-CE3 3.86Å; R670-W678 PolarHBondContact NE-O 2.99Å; R670-W678 PolarHBondContact NH2-O 2.79Å; R670-I679 CarbonylContact C-O 3.57Å; R670-I679 VanDerWaalsContact CA-O 3.25Å; R670-I679 WeakPolarHBondContact CA-O 3.41Å
671	I	73.2	Confident	63	Low	62 Å²	62	79.1 Å²	79.1	32%	0.318	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.2	172.2	-61.9	174.1	0	0	0	106.6	I679 A681 K684	I671-I679 PolarHBondContact N-O 3.47Å; I671-I679 PolarHBondContact O-N 2.99Å; I671-A681 HydrophobicContact CD1-CB 3.83Å; I671-A681 HydrophobicContact CG1-CB 3.79Å; I671-K684 HydrophobicContact CD1-CB 3.67Å; I671-K684 HydrophobicContact CD1-CD 4.17Å; I671-K684 HydrophobicContact CD1-CG 4.46Å
672	K	75.1	Confident	63.9	Low	129 Å²	129	81.7 Å²	81.7	56%	0.561	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	120.9	168.6	-171	178.7	177.4	-175.5	0	107.4	V677 W678	K672-V677 WeakPolarHBondContact CA-O 3.43Å; K672-W678 HydrophobicContact CB-CD2 4.24Å; K672-W678 HydrophobicContact CB-CE3 4.03Å; K672-W678 HydrophobicContact CB-CH2 4.19Å; K672-W678 HydrophobicContact CB-CZ2 4.37Å; K672-W678 HydrophobicContact CB-CZ3 4.01Å; K672-W678 HydrophobicContact CD-CZ2 4.36Å
673	T	69.4	Low	64.8	Low	13 Å²	13	80.9 Å²	80.9	8%	0.08	41%	0.414	C	S	.	.			trans	-73.7	167.5	173.8	53.2	0	0	0	0	110.9	M175 E206 S675 G676 V677 I679	M175-T673 HydrophobicContact SD-CG2 4.1Å; E206-T673 VanDerWaalsContact OE1-CB 3.3Å; E206-T673 WeakPolarHBondContact OE1-CB 3.4Å; E206-T673 WeakPolarHBondContact OE1-CG2 3.37Å; E206-T673 PolarHBondContact OE1-OG1 3.33Å; T673-S675 PolarHBondContact O-N 2.98Å; T673-S675 PolarHBondContact OG1-OG 2.86Å; T673-G676 WeakPolarHBondContact O-CA 3.44Å; T673-G676 PolarHBondContact O-N 3.35Å; T673-V677 PolarHBondContact N-O 2.93Å; T673-V677 PolarHBondContact OG1-N 3Å; T673-V677 PolarHBondContact OG1-O 3.29Å; T673-V677 VanDerWaalsContact OG1-O 3.07Å; T673-I679 HydrophobicContact CG2-CB 4.35Å; T673-I679 HydrophobicContact CG2-CD1 3.57Å; T673-I679 HydrophobicContact CG2-CG1 3.91Å
674	E	69.4	Low	65.6	Low	168 Å²	168	79.1 Å²	79.1	79%	0.785	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.5	175.2	-67.3	161	-161.9	0	0	112.2	G676	E674-G676 PolarHBondContact O-N 3.24Å
675	S	63.2	Low	66.9	Low	46 Å²	46	80.4 Å²	80.4	32%	0.322	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.3	173	71.4	0	0	0	0	114.6	E206 T673 V677	E206-S675 VanDerWaalsContact CD-OG 3.3Å; E206-S675 PolarHBondContact OE1-OG 3.28Å; E206-S675 PolarHBondContact OE2-OG 2.93Å; T673-S675 PolarHBondContact O-N 2.98Å; T673-S675 PolarHBondContact OG1-OG 2.86Å; S675-V677 VanDerWaalsContact C-N 3.33Å; S675-V677 PolarHBondContact O-N 3.39Å
676	G	68.3	Low	68.2	Low	31 Å²	31	76.5 Å²	76.5	32%	0.32	39%	0.392	S	S	.	.	S	Bend	trans	81.4	-0.5	-177.8	0	0	0	0	0	115.9	T673 E674	T673-G676 WeakPolarHBondContact O-CA 3.44Å; T673-G676 PolarHBondContact O-N 3.35Å; E674-G676 PolarHBondContact O-N 3.24Å
677	V	69.6	Low	69.8	Low	48 Å²	48	78.3 Å²	78.3	29%	0.291	39%	0.389	S	S	.	.			trans	-82.1	140.2	-177	-177.9	0	0	0	0	111.2	K209 K672 T673 S675 I679	K209-V677 HydrophobicContact CD-CG2 4.26Å; K209-V677 VanDerWaalsContact NZ-CG2 3.28Å; K672-V677 WeakPolarHBondContact CA-O 3.43Å; T673-V677 PolarHBondContact N-O 2.93Å; T673-V677 PolarHBondContact OG1-N 3Å; T673-V677 PolarHBondContact OG1-O 3.29Å; T673-V677 VanDerWaalsContact OG1-O 3.07Å; S675-V677 VanDerWaalsContact C-N 3.33Å; S675-V677 PolarHBondContact O-N 3.39Å; V677-I679 HydrophobicContact CG1-CG1 4.09Å
678	W	70.1	Confident	71.4	Confident	142 Å²	142	75.2 Å²	75.2	54%	0.538	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.2	178.6	-70.5	99.4	0	0	0	111.9	R670 K672	R670-W678 HydrophobicContact CB-CB 4.43Å; R670-W678 HydrophobicContact CB-CE3 3.86Å; R670-W678 PolarHBondContact NE-O 2.99Å; R670-W678 PolarHBondContact NH2-O 2.79Å; K672-W678 HydrophobicContact CB-CD2 4.24Å; K672-W678 HydrophobicContact CB-CE3 4.03Å; K672-W678 HydrophobicContact CB-CH2 4.19Å; K672-W678 HydrophobicContact CB-CZ2 4.37Å; K672-W678 HydrophobicContact CB-CZ3 4.01Å; K672-W678 HydrophobicContact CD-CZ2 4.36Å
679	I	70.5	Confident	72.8	Confident	13 Å²	13	76.3 Å²	76.3	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.7	-176.9	-55.9	-168.7	0	0	0	109.9	L171 M175 E206 R670 I671 T673 V677 A681 Y683	L171-I679 HydrophobicContact CD2-CD1 4.33Å; M175-I679 HydrophobicContact CE-CD1 4.24Å; M175-I679 HydrophobicContact CE-CG2 3.81Å; M175-I679 HydrophobicContact SD-CG2 4.34Å; E206-I679 HydrophobicContact CB-CD1 4.12Å; E206-I679 HydrophobicContact CG-CD1 3.57Å; R670-I679 CarbonylContact C-O 3.57Å; R670-I679 VanDerWaalsContact CA-O 3.25Å; R670-I679 WeakPolarHBondContact CA-O 3.41Å; I671-I679 PolarHBondContact N-O 3.47Å; I671-I679 PolarHBondContact O-N 2.99Å; T673-I679 HydrophobicContact CG2-CB 4.35Å; T673-I679 HydrophobicContact CG2-CD1 3.57Å; T673-I679 HydrophobicContact CG2-CG1 3.91Å; V677-I679 HydrophobicContact CG1-CG1 4.09Å; I679-A681 PolarHBondContact O-N 2.81Å; I679-Y683 HydrophobicContact CG2-CD2 3.45Å; I679-Y683 VanDerWaalsContact CG2-CD2 3.45Å; I679-Y683 HydrophobicContact CG2-CE2 3.72Å; I679-Y683 HydrophobicContact CG2-CG 4.2Å
680	P	74	Confident	73.9	Confident	33 Å²	33	73.3 Å²	73.3	21%	0.214	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	137.8	176.2	-28.3	36.7	0	0	0	113.5	M668 S682 Y683	M668-P680 HydrophobicContact CE-CB 3.91Å; M668-P680 HydrophobicContact CE-CG 4.48Å; M668-P680 HydrophobicContact SD-CB 4.44Å; P680-S682 WeakPolarHBondContact CB-OG 3.49Å; P680-S682 PolarHBondContact O-N 3.25Å; P680-S682 VanDerWaalsContact O-N 3.09Å; P680-Y683 HydrophobicContact CB-CD2 4.24Å; P680-Y683 HydrophobicContact CB-CE2 4.5Å; P680-Y683 HydrophobicContact CG-CE2 4.45Å; P680-Y683 WeakPolarHBondContact O-CD2 3.44Å; P680-Y683 PolarHBondContact O-N 3.45Å
681	A	67.8	Low	74.5	Confident	26 Å²	26	67.9 Å²	67.9	22%	0.215	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-65.7	-13.3	-179.8	0	0	0	0	0	113.6	K669 I671 I679 Y683 K684	K669-A681 HydrophobicContact CB-CB 3.78Å; K669-A681 WeakPolarHBondContact O-CB 3.48Å; K669-A681 PolarHBondContact O-N 3.17Å; I671-A681 HydrophobicContact CD1-CB 3.83Å; I671-A681 HydrophobicContact CG1-CB 3.79Å; I679-A681 PolarHBondContact O-N 2.81Å; A681-Y683 PolarHBondContact O-N 2.91Å; A681-K684 PolarHBondContact O-N 3.45Å
682	S	72.2	Confident	75.1	Confident	66 Å²	66	67.3 Å²	67.3	46%	0.462	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.5	-14.3	172.7	52.8	0	0	0	0	114.1	P680	P680-S682 WeakPolarHBondContact CB-OG 3.49Å; P680-S682 PolarHBondContact O-N 3.25Å; P680-S682 VanDerWaalsContact O-N 3.09Å
683	Y	70.6	Confident	75.6	Confident	33 Å²	33	68.4 Å²	68.4	13%	0.129	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-87.1	-5.3	176.4	-75.2	-80	0	0	0	114.7	H172 M175 I679 P680 A681	H172-Y683 HydrophobicContact CB-CD1 3.6Å; H172-Y683 HydrophobicContact CB-CE1 3.93Å; H172-Y683 PolarHBondContact CD2-O 2.91Å; H172-Y683 AromaticContact CG-CD1 3.92Å; M175-Y683 HydrophobicContact CE-CD1 3.65Å; M175-Y683 HydrophobicContact CE-CD2 4.11Å; M175-Y683 HydrophobicContact CE-CE1 4.33Å; M175-Y683 HydrophobicContact CE-CG 3.49Å; M175-Y683 VanDerWaalsContact CE-CG 3.49Å; I679-Y683 HydrophobicContact CG2-CD2 3.45Å; I679-Y683 VanDerWaalsContact CG2-CD2 3.45Å; I679-Y683 HydrophobicContact CG2-CE2 3.72Å; I679-Y683 HydrophobicContact CG2-CG 4.2Å; P680-Y683 HydrophobicContact CB-CD2 4.24Å; P680-Y683 HydrophobicContact CB-CE2 4.5Å; P680-Y683 HydrophobicContact CG-CE2 4.45Å; P680-Y683 WeakPolarHBondContact O-CD2 3.44Å; P680-Y683 PolarHBondContact O-N 3.45Å; A681-Y683 PolarHBondContact O-N 2.91Å
684	K	72.9	Confident	76.3	Confident	97 Å²	97	73 Å²	73	42%	0.422	37%	0.365	S	S	.	.			trans	-131.6	96.5	176.9	-167.8	171.4	-174.9	168.9	0	109.8	I671 A681	I671-K684 HydrophobicContact CD1-CB 3.67Å; I671-K684 HydrophobicContact CD1-CD 4.17Å; I671-K684 HydrophobicContact CD1-CG 4.46Å; A681-K684 PolarHBondContact O-N 3.45Å
685	T	77	Confident	76.7	Confident	60 Å²	60	66.4 Å²	66.4	37%	0.368	34%	0.337	S	S	.	.			trans	-115.9	7.8	-178.3	62.3	0	0	0	0	113.3	E176 K687	E176-T685 VanDerWaalsContact OE1-CA 3.26Å; E176-T685 WeakPolarHBondContact OE1-CA 3.49Å; E176-T685 WeakPolarHBondContact OE1-CB 3.33Å; E176-T685 PolarHBondContact OE1-N 3.48Å; E176-T685 PolarHBondContact OE1-OG1 2.68Å; T685-K687 PolarHBondContact O-N 3.42Å; T685-K687 VanDerWaalsContact OG1-CD 3.25Å; T685-K687 WeakPolarHBondContact OG1-CD 3.22Å; T685-K687 VanDerWaalsContact OG1-CE 3.25Å; T685-K687 WeakPolarHBondContact OG1-CE 3.34Å; T685-K687 WeakPolarHBondContact OG1-CG 3.48Å
686	D	79.6	Confident	77.2	Confident	67 Å²	67	70.8 Å²	70.8	36%	0.358	35%	0.35	S	S	.	.			trans	54.4	20.1	179.6	-73	-61	0	0	0	114.4	E176 Y688 K689 L690	E176-D686 PolarHBondContact OE1-N 3.48Å; E176-D686 PolarHBondContact OE2-N 3.11Å; D686-Y688 VanDerWaalsContact C-N 3.27Å; D686-Y688 PolarHBondContact O-N 2.8Å; D686-K689 HydrophobicContact CB-CD 4.36Å; D686-K689 PolarHBondContact O-N 3.29Å; D686-K689 VanDerWaalsContact O-N 3.14Å; D686-K689 WeakPolarHBondContact OD1-CD 3.32Å; D686-K689 VanDerWaalsContact OD1-CE 3.27Å; D686-K689 WeakPolarHBondContact OD1-CE 2.99Å; D686-K689 IonicContact OD1-NZ 3.43Å; D686-K689 PolarHBondContact OD1-NZ 2.9Å; D686-L690 PolarHBondContact O-N 2.82Å
687	K	81.5	Confident	76.5	Confident	95 Å²	95	71.9 Å²	71.9	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-34.3	-179.6	-76.2	174.7	-173.5	168.2	0	112.1	M149 F153 E176 T685 K689 L690 W691	M149-K687 HydrophobicContact CG-CD 4.36Å; F153-K687 HydrophobicContact CE2-CB 4.33Å; E176-K687 PolarHBondContact OE2-N 3.07Å; T685-K687 PolarHBondContact O-N 3.42Å; T685-K687 VanDerWaalsContact OG1-CD 3.25Å; T685-K687 WeakPolarHBondContact OG1-CD 3.22Å; T685-K687 VanDerWaalsContact OG1-CE 3.25Å; T685-K687 WeakPolarHBondContact OG1-CE 3.34Å; T685-K687 WeakPolarHBondContact OG1-CG 3.48Å; K687-K689 VanDerWaalsContact C-N 3.31Å; K687-K689 PolarHBondContact O-N 3.37Å; K687-L690 PolarHBondContact O-N 2.96Å; K687-W691 WeakPolarHBondContact O-CB 3.36Å; K687-W691 PolarHBondContact O-N 2.69Å
688	Y	82.9	Confident	76.1	Confident	36 Å²	36	72.4 Å²	72.4	14%	0.141	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-37.8	176.7	-179.3	-121	0	0	0	112.4	F153 E176 M177 D686 W691 L692	F153-Y688 HydrophobicContact CB-CD2 4.17Å; F153-Y688 HydrophobicContact CB-CE2 4.31Å; F153-Y688 AromaticContact CD1-CD2 3.91Å; F153-Y688 HydrophobicContact CD1-CD2 3.91Å; F153-Y688 AromaticContact CD2-CD2 3.9Å; F153-Y688 HydrophobicContact CD2-CD2 3.9Å; F153-Y688 HydrophobicContact CE1-CD2 4.18Å; F153-Y688 HydrophobicContact CE2-CD2 4.18Å; F153-Y688 AromaticContact CG-CD2 3.76Å; F153-Y688 HydrophobicContact CG-CD2 3.76Å; F153-Y688 HydrophobicContact CG-CE2 4.36Å; F153-Y688 HydrophobicContact CZ-CD2 4.3Å; F153-Y688 HydrophobicContact CZ-CG 4.49Å; E176-Y688 WeakPolarHBondContact O-CB 3.39Å; E176-Y688 PolarHBondContact OE2-N 3.16Å; M177-Y688 HydrophobicContact CB-CD1 4.17Å; M177-Y688 HydrophobicContact CB-CE1 4.14Å; M177-Y688 HydrophobicContact CB-CG 4.37Å; M177-Y688 HydrophobicContact CE-CD2 4.3Å; M177-Y688 HydrophobicContact CE-CE2 3.56Å; M177-Y688 HydrophobicContact CG-CD1 4.11Å; M177-Y688 HydrophobicContact CG-CD2 3.71Å; M177-Y688 HydrophobicContact CG-CE1 4.22Å; M177-Y688 HydrophobicContact CG-CE2 3.87Å; M177-Y688 HydrophobicContact CG-CG 3.83Å; M177-Y688 HydrophobicContact SD-CE2 4.38Å; D686-Y688 VanDerWaalsContact C-N 3.27Å; D686-Y688 PolarHBondContact O-N 2.8Å; Y688-W691 AromaticContact CD2-CE3 3.82Å; Y688-W691 HydrophobicContact CD2-CE3 3.82Å; Y688-W691 HydrophobicContact CD2-CZ3 4.31Å; Y688-W691 AromaticContact CE2-CE3 3.67Å; Y688-W691 HydrophobicContact CE2-CE3 3.67Å; Y688-W691 AromaticContact CE2-CZ3 3.69Å; Y688-W691 HydrophobicContact CE2-CZ3 3.69Å; Y688-W691 PolarHBondContact O-N 2.92Å; Y688-L692 HydrophobicContact CD1-CD1 3.77Å; Y688-L692 HydrophobicContact CD2-CG 4.42Å; Y688-L692 HydrophobicContact CE1-CD1 3.38Å; Y688-L692 HydrophobicContact CE1-CG 4.16Å; Y688-L692 HydrophobicContact CE2-CD1 4.15Å; Y688-L692 HydrophobicContact CE2-CG 4.01Å; Y688-L692 HydrophobicContact CG-CD1 4.35Å; Y688-L692 WeakPolarHBondContact O-CB 3.49Å; Y688-L692 WeakPolarHBondContact O-CG 3.46Å; Y688-L692 PolarHBondContact O-N 3.09Å
689	K	84.5	Confident	75.4	Confident	114 Å²	114	70.7 Å²	70.7	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-68.2	-37.6	175.6	-64.5	176.1	-175.4	157.2	0	112.1	D686 K687 K693	D686-K689 HydrophobicContact CB-CD 4.36Å; D686-K689 PolarHBondContact O-N 3.29Å; D686-K689 VanDerWaalsContact O-N 3.14Å; D686-K689 WeakPolarHBondContact OD1-CD 3.32Å; D686-K689 VanDerWaalsContact OD1-CE 3.27Å; D686-K689 WeakPolarHBondContact OD1-CE 2.99Å; D686-K689 IonicContact OD1-NZ 3.43Å; D686-K689 PolarHBondContact OD1-NZ 2.9Å; K687-K689 VanDerWaalsContact C-N 3.31Å; K687-K689 PolarHBondContact O-N 3.37Å; K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 3.27Å
690	L	86.4	Confident	74.5	Confident	115 Å²	115	75.2 Å²	75.2	60%	0.602	38%	0.378	S	S	*	.	H	α-helix	trans	-66.2	-43.7	174.7	-66.7	173.1	0	0	0	111.2	D686 K687 K693 K694	D686-L690 PolarHBondContact O-N 2.82Å; K687-L690 PolarHBondContact O-N 2.96Å; L690-K693 PolarHBondContact O-N 3.06Å; L690-K694 PolarHBondContact O-N 2.77Å
691	W	86.3	Confident	73	Confident	31 Å²	31	79 Å²	79	12%	0.117	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-47.1	174.7	178.4	76.7	0	0	0	111.8	E150 F153 A154 H157 K687 Y688 K693 K694 S695	E150-W691 HydrophobicContact CB-CG 4.47Å; E150-W691 HydrophobicContact CG-CG 4.28Å; F153-W691 HydrophobicContact CB-CD2 3.85Å; F153-W691 HydrophobicContact CB-CE3 3.75Å; F153-W691 HydrophobicContact CB-CH2 4.11Å; F153-W691 HydrophobicContact CB-CZ2 4.2Å; F153-W691 HydrophobicContact CB-CZ3 3.89Å; F153-W691 HydrophobicContact CD2-CB 3.99Å; F153-W691 HydrophobicContact CD2-CD2 4.01Å; F153-W691 HydrophobicContact CD2-CE3 4.22Å; F153-W691 AromaticContact CD2-CG 3.9Å; F153-W691 HydrophobicContact CD2-CG 3.9Å; F153-W691 HydrophobicContact CE2-CB 4.37Å; F153-W691 HydrophobicContact CG-CD2 4.42Å; F153-W691 HydrophobicContact CG-CE3 4.36Å; A154-W691 HydrophobicContact CB-CZ2 3.88Å; H157-W691 HydrophobicContact CB-CH2 4.4Å; K687-W691 WeakPolarHBondContact O-CB 3.36Å; K687-W691 PolarHBondContact O-N 2.69Å; Y688-W691 AromaticContact CD2-CE3 3.82Å; Y688-W691 HydrophobicContact CD2-CE3 3.82Å; Y688-W691 HydrophobicContact CD2-CZ3 4.31Å; Y688-W691 AromaticContact CE2-CE3 3.67Å; Y688-W691 HydrophobicContact CE2-CE3 3.67Å; Y688-W691 AromaticContact CE2-CZ3 3.69Å; Y688-W691 HydrophobicContact CE2-CZ3 3.69Å; Y688-W691 PolarHBondContact O-N 2.92Å; W691-K693 VanDerWaalsContact C-N 3.3Å; W691-K693 PolarHBondContact O-N 3.34Å; W691-K694 CarbonylContact O-C 3.55Å; W691-K694 PolarHBondContact O-N 2.95Å; W691-K694 VanDerWaalsContact O-N 3.09Å; W691-S695 PolarHBondContact NE1-OG 3.49Å; W691-S695 PolarHBondContact O-N 3.04Å; W691-S695 PolarHBondContact O-OG 3.26Å
692	L	85.9	Confident	72.1	Confident	51 Å²	51	84.7 Å²	84.7	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-56.5	-40.6	173.9	-86.2	168.8	0	0	0	112.9	Y688 K696	Y688-L692 HydrophobicContact CD1-CD1 3.77Å; Y688-L692 HydrophobicContact CD2-CG 4.42Å; Y688-L692 HydrophobicContact CE1-CD1 3.38Å; Y688-L692 HydrophobicContact CE1-CG 4.16Å; Y688-L692 HydrophobicContact CE2-CD1 4.15Å; Y688-L692 HydrophobicContact CE2-CG 4.01Å; Y688-L692 HydrophobicContact CG-CD1 4.35Å; Y688-L692 WeakPolarHBondContact O-CB 3.49Å; Y688-L692 WeakPolarHBondContact O-CG 3.46Å; Y688-L692 PolarHBondContact O-N 3.09Å; L692-K696 WeakPolarHBondContact O-CB 3.4Å; L692-K696 VanDerWaalsContact O-CG 3.28Å; L692-K696 WeakPolarHBondContact O-CG 3.44Å; L692-K696 PolarHBondContact O-N 2.94Å
693	K	85.8	Confident	70.9	Confident	151 Å²	151	85.6 Å²	85.6	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-64	-45.4	174.8	-76.8	-179.9	177.2	-167.1	0	111.2	K689 L690 W691 K696 S697	K689-K693 WeakPolarHBondContact O-CG 3.4Å; K689-K693 PolarHBondContact O-N 3.27Å; L690-K693 PolarHBondContact O-N 3.06Å; W691-K693 VanDerWaalsContact C-N 3.3Å; W691-K693 PolarHBondContact O-N 3.34Å; K693-K696 PolarHBondContact O-N 3.27Å; K693-S697 PolarHBondContact O-N 3.49Å; K693-S697 PolarHBondContact O-OG 2.83Å
694	K	84.3	Confident	69.7	Low	111 Å²	111	85.9 Å²	85.9	48%	0.483	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-52.8	178.2	-167.1	-170.7	173.6	-165.8	0	111.6	L690 W691 K696 S697 D698	L690-K694 PolarHBondContact O-N 2.77Å; W691-K694 CarbonylContact O-C 3.55Å; W691-K694 PolarHBondContact O-N 2.95Å; W691-K694 VanDerWaalsContact O-N 3.09Å; K694-K696 PolarHBondContact O-N 3.29Å; K694-S697 WeakPolarHBondContact CA-OG 3.41Å; K694-S697 CarbonylContact O-C 3.54Å; K694-S697 WeakPolarHBondContact O-CA 3.33Å; K694-S697 PolarHBondContact O-N 2.85Å; K694-S697 PolarHBondContact O-OG 3.46Å; K694-D698 PolarHBondContact O-N 3.33Å
695	S	76.7	Confident	68.5	Low	28 Å²	28	87.6 Å²	87.6	20%	0.196	43%	0.432	C	S	.	.	H	α-helix	trans	-63.9	-27.9	178.8	-60.2	0	0	0	0	113.3	W691 I699	W691-S695 PolarHBondContact NE1-OG 3.49Å; W691-S695 PolarHBondContact O-N 3.04Å; W691-S695 PolarHBondContact O-OG 3.26Å; S695-I699 WeakPolarHBondContact O-CD1 3.49Å; S695-I699 VanDerWaalsContact O-CG1 3.25Å; S695-I699 WeakPolarHBondContact O-CG1 3.29Å; S695-I699 PolarHBondContact O-N 3.26Å
696	K	74.5	Confident	66.9	Low	139 Å²	139	88.6 Å²	88.6	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-69.7	-41.6	168.7	-77.9	-175.2	177	-161.1	0	112.6	L692 K693 K694 D698 I700	L692-K696 WeakPolarHBondContact O-CB 3.4Å; L692-K696 VanDerWaalsContact O-CG 3.28Å; L692-K696 WeakPolarHBondContact O-CG 3.44Å; L692-K696 PolarHBondContact O-N 2.94Å; K693-K696 PolarHBondContact O-N 3.27Å; K694-K696 PolarHBondContact O-N 3.29Å; K696-D698 VanDerWaalsContact C-N 3.31Å; K696-I700 WeakPolarHBondContact O-CB 3.29Å; K696-I700 WeakPolarHBondContact O-CD1 3.47Å; K696-I700 WeakPolarHBondContact O-CG1 3.44Å; K696-I700 PolarHBondContact O-N 2.94Å
697	S	53.6	Low	65.1	Low	53 Å²	53	87.8 Å²	87.8	37%	0.371	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-35.3	172.9	48.2	0	0	0	0	112.4	K693 K694 I700 Q701	K693-S697 PolarHBondContact O-N 3.49Å; K693-S697 PolarHBondContact O-OG 2.83Å; K694-S697 WeakPolarHBondContact CA-OG 3.41Å; K694-S697 CarbonylContact O-C 3.54Å; K694-S697 WeakPolarHBondContact O-CA 3.33Å; K694-S697 PolarHBondContact O-N 2.85Å; K694-S697 PolarHBondContact O-OG 3.46Å; S697-I700 PolarHBondContact O-N 2.88Å; S697-Q701 WeakPolarHBondContact O-CB 3.44Å; S697-Q701 WeakPolarHBondContact O-CG 3.28Å; S697-Q701 PolarHBondContact O-N 3.28Å
698	D	60.4	Low	63.3	Low	60 Å²	60	89.5 Å²	89.5	32%	0.321	45%	0.453	S	S	.	.	H	α-helix	trans	-63.9	-48	177	-55	-22.8	0	0	0	110	K694 K696 I700 Q701 E702	K694-D698 PolarHBondContact O-N 3.33Å; K696-D698 VanDerWaalsContact C-N 3.31Å; D698-I700 PolarHBondContact O-N 2.85Å; D698-Q701 PolarHBondContact O-N 3.43Å; D698-E702 PolarHBondContact O-N 2.84Å
699	I	56.7	Low	61.3	Low	105 Å²	105	96 Å²	96	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-59.6	-44.7	174.3	-68.6	163.4	0	0	0	111.6	S695 Q701 E702 T703	S695-I699 WeakPolarHBondContact O-CD1 3.49Å; S695-I699 VanDerWaalsContact O-CG1 3.25Å; S695-I699 WeakPolarHBondContact O-CG1 3.29Å; S695-I699 PolarHBondContact O-N 3.26Å; I699-Q701 VanDerWaalsContact C-N 3.32Å; I699-Q701 PolarHBondContact O-N 3.41Å; I699-E702 PolarHBondContact O-N 3.2Å; I699-T703 PolarHBondContact O-N 2.98Å; I699-T703 PolarHBondContact O-OG1 3.32Å; I699-T703 VanDerWaalsContact O-OG1 3.12Å
700	I	50.6	Low	59.1	Low	108 Å²	108	95.2 Å²	95.2	55%	0.554	49%	0.494	S	S	*	.	H	α-helix	trans	-62.4	-40.9	179.4	-69.9	163.8	0	0	0	110.6	K696 S697 D698 T703 S704	K696-I700 WeakPolarHBondContact O-CB 3.29Å; K696-I700 WeakPolarHBondContact O-CD1 3.47Å; K696-I700 WeakPolarHBondContact O-CG1 3.44Å; K696-I700 PolarHBondContact O-N 2.94Å; S697-I700 PolarHBondContact O-N 2.88Å; D698-I700 PolarHBondContact O-N 2.85Å; I700-T703 WeakPolarHBondContact CA-OG1 3.42Å; I700-T703 PolarHBondContact O-N 2.72Å; I700-T703 PolarHBondContact O-OG1 2.74Å; I700-S704 WeakPolarHBondContact O-CB 3.46Å; I700-S704 PolarHBondContact O-N 3.31Å; I700-S704 PolarHBondContact O-OG 3.21Å
701	Q	42.9	Very low	56.6	Low	114 Å²	114	94.1 Å²	94.1	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-68.7	-34.7	177.4	-77.3	-175.3	-14.3	0	0	113.4	S697 D698 I699 S704 K705	S697-Q701 WeakPolarHBondContact O-CB 3.44Å; S697-Q701 WeakPolarHBondContact O-CG 3.28Å; S697-Q701 PolarHBondContact O-N 3.28Å; D698-Q701 PolarHBondContact O-N 3.43Å; I699-Q701 VanDerWaalsContact C-N 3.32Å; I699-Q701 PolarHBondContact O-N 3.41Å; Q701-S704 PolarHBondContact O-OG 2.85Å; Q701-K705 WeakPolarHBondContact O-CB 3.13Å; Q701-K705 WeakPolarHBondContact O-CG 3.23Å; Q701-K705 PolarHBondContact O-N 3.31Å
702	E	48	Very low	53.8	Low	144 Å²	144	97.8 Å²	97.8	67%	0.673	53%	0.526	S	S	*	.	H	α-helix	trans	-67	-41.3	172.8	-73.9	179.4	168.7	0	0	111.2	D698 I699 S706	D698-E702 PolarHBondContact O-N 2.84Å; I699-E702 PolarHBondContact O-N 3.2Å; E702-S706 PolarHBondContact O-N 3.39Å; E702-S706 PolarHBondContact O-OG 3.29Å
703	T	46.9	Very low	51.4	Low	86 Å²	86	102 Å²	102	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-70.4	-32.2	175.2	51.5	0	0	0	0	114	I699 I700 S706 A707	I699-T703 PolarHBondContact O-N 2.98Å; I699-T703 PolarHBondContact O-OG1 3.32Å; I699-T703 VanDerWaalsContact O-OG1 3.12Å; I700-T703 WeakPolarHBondContact CA-OG1 3.42Å; I700-T703 PolarHBondContact O-N 2.72Å; I700-T703 PolarHBondContact O-OG1 2.74Å; T703-S706 WeakPolarHBondContact CA-OG 3.48Å; T703-S706 PolarHBondContact O-OG 3.43Å; T703-A707 WeakPolarHBondContact O-CB 3.27Å; T703-A707 PolarHBondContact O-N 3.22Å
704	S	46.7	Very low	48.9	Very low	39 Å²	39	101.9 Å²	101.9	27%	0.273	56%	0.559	S	S	.	*	H	α-helix	trans	-75.7	-41.4	178	70.6	0	0	0	0	111.5	I700 Q701 S706 A707 E708	I700-S704 WeakPolarHBondContact O-CB 3.46Å; I700-S704 PolarHBondContact O-N 3.31Å; I700-S704 PolarHBondContact O-OG 3.21Å; Q701-S704 PolarHBondContact O-OG 2.85Å; S704-S706 PolarHBondContact O-N 3.12Å; S704-A707 PolarHBondContact O-N 2.91Å; S704-A707 VanDerWaalsContact O-N 3.13Å; S704-E708 WeakPolarHBondContact O-CB 3.22Å; S704-E708 VanDerWaalsContact O-CG 3.3Å; S704-E708 WeakPolarHBondContact O-CG 3.32Å; S704-E708 PolarHBondContact O-N 3.31Å
705	K	48.1	Very low	46.5	Very low	133 Å²	133	103.5 Å²	103.5	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-62.1	-40.4	176.2	-75.4	-179.6	174.7	-172.6	0	113	Q701 A707 E708 E709	Q701-K705 WeakPolarHBondContact O-CB 3.13Å; Q701-K705 WeakPolarHBondContact O-CG 3.23Å; Q701-K705 PolarHBondContact O-N 3.31Å; K705-A707 VanDerWaalsContact C-N 3.27Å; K705-A707 PolarHBondContact O-N 3.07Å; K705-E708 PolarHBondContact O-N 3.22Å; K705-E709 PolarHBondContact O-N 3.05Å
706	S	42.2	Very low	44.2	Very low	80 Å²	80	106.1 Å²	106.1	56%	0.559	60%	0.596	S	S	*	*	H	α-helix	trans	-72.1	-17.6	176.2	47.4	0	0	0	0	113.9	E702 T703 S704	E702-S706 PolarHBondContact O-N 3.39Å; E702-S706 PolarHBondContact O-OG 3.29Å; T703-S706 WeakPolarHBondContact CA-OG 3.48Å; T703-S706 PolarHBondContact O-OG 3.43Å; S704-S706 PolarHBondContact O-N 3.12Å
707	A	43	Very low	42.3	Very low	51 Å²	51	104.6 Å²	104.6	42%	0.421	60%	0.603	S	S	.	*	H	α-helix	trans	-87.4	-39.6	169.8	0	0	0	0	0	112.6	T703 S704 K705 E709 S710	T703-A707 WeakPolarHBondContact O-CB 3.27Å; T703-A707 PolarHBondContact O-N 3.22Å; S704-A707 PolarHBondContact O-N 2.91Å; S704-A707 VanDerWaalsContact O-N 3.13Å; K705-A707 VanDerWaalsContact C-N 3.27Å; K705-A707 PolarHBondContact O-N 3.07Å; A707-E709 VanDerWaalsContact C-N 3.33Å; A707-E709 PolarHBondContact O-N 3.38Å; A707-S710 PolarHBondContact O-N 3.26Å; A707-S710 VanDerWaalsContact O-N 3.08Å; A707-S710 PolarHBondContact O-OG 2.82Å
708	E	43.3	Very low	41.4	Very low	130 Å²	130	109 Å²	109	61%	0.607	62%	0.623	S	S	*	*	H	α-helix	trans	-66.1	-30.9	-178.7	-75.7	167	-175.7	0	0	112.7	S704 K705 S710 S711	S704-E708 WeakPolarHBondContact O-CB 3.22Å; S704-E708 VanDerWaalsContact O-CG 3.3Å; S704-E708 WeakPolarHBondContact O-CG 3.32Å; S704-E708 PolarHBondContact O-N 3.31Å; K705-E708 PolarHBondContact O-N 3.22Å; E708-S710 PolarHBondContact O-N 3.12Å; E708-S711 PolarHBondContact O-N 3.49Å
709	E	40.9	Very low	40	Very low	173 Å²	173	115.2 Å²	115.2	81%	0.808	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-8.9	172.7	-73.3	179.3	171.8	0	0	114	K705 A707	K705-E709 PolarHBondContact O-N 3.05Å; A707-E709 VanDerWaalsContact C-N 3.33Å; A707-E709 PolarHBondContact O-N 3.38Å
710	S	38	Very low	38.9	Very low	98 Å²	98	117.8 Å²	117.8	69%	0.685	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	1.6	-179.2	73.3	0	0	0	0	115.3	A707 E708	A707-S710 PolarHBondContact O-N 3.26Å; A707-S710 VanDerWaalsContact O-N 3.08Å; A707-S710 PolarHBondContact O-OG 2.82Å; E708-S710 PolarHBondContact O-N 3.12Å
711	S	33.3	Very low	38.1	Very low	92 Å²	92	121 Å²	121	64%	0.643	67%	0.671	S	S	*	*			trans	-146.3	92.4	-178.6	49.2	0	0	0	0	113.3	E708	E708-S711 PolarHBondContact O-N 3.49Å
712	S	27	Very low	37.7	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	69%	0.686	S	S	*	*			trans	-133.6	66.2	-173	52.4	0	0	0	0	114.5
713	V	35.3	Very low	36.7	Very low	139 Å²	139	127.3 Å²	127.3	84%	0.842	70%	0.695	S	S	*	*			trans	-145.4	142.3	163.6	-147.5	0	0	0	0	112.1
714	I	34.2	Very low	36	Very low	149 Å²	149	127.1 Å²	127.1	76%	0.764	70%	0.702	S	S	*	*			trans	87.3	98.8	162.9	-46.3	-174.9	0	0	0	119
715	D	33.2	Very low	35.2	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	72%	0.724	S	S	*	*			trans	51.4	107.9	136.6	-68.9	-40.2	0	0	0	125.2
716	A	29.5	Very low	34.4	Very low	82 Å²	82	136.9 Å²	136.9	68%	0.678	74%	0.741	S	S	*	*				53.8	111.1	109	0	0	0	0	0	121.6
717	S	34.3	Very low	34	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	74%	0.744	S	S	*	*				147.5	152.7	104.5	65.7	0	0	0	0	113.9
718	N	33.7	Very low	33.3	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	77%	0.767	S	S	*	*			trans	59	96.1	171.6	-69.9	-32.7	0	0	0	119.3
719	M	31.3	Very low	32.6	Very low	190 Å²	190	141.3 Å²	141.3	94%	0.936	77%	0.774	S	S	*	*				-163	151.5	107.3	-86.7	-118.8	80.2	0	0	110.6
720	H	33.9	Very low	32	Very low	158 Å²	158	140 Å²	140	73%	0.731	77%	0.771	S	S	*	*			trans	-119.9	156.6	-157.2	-127.5	75.1	0	0	0	113
721	K	34.1	Very low	31.5	Very low	175 Å²	175	144 Å²	144	76%	0.761	78%	0.779	S	S	*	*			trans	79.8	88.2	155.8	-63.3	167.3	-177.6	172.8	0	119.8
722	K	33.6	Very low	31.4	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	79%	0.787	S	S	*	*				162.2	106.4	94.1	-93.2	172.2	179.1	-179.6	0	114.3
723	F	28.5	Very low	31.7	Very low	195 Å²	195	147.7 Å²	147.7	86%	0.855	79%	0.789	S	S	*	*			trans	-48.4	169.7	154.3	-58.5	-97.7	0	0	0	113.1
724	A	32.7	Very low	31.4	Very low	82 Å²	82	148.7 Å²	148.7	68%	0.678	79%	0.789	S	S	*	*			cis	-156.5	141.2	18.9	0	0	0	0	0	114.3
725	N	28.6	Very low	31.5	Very low	135 Å²	135	148 Å²	148	72%	0.722	79%	0.792	S	S	*	*				55.6	118.3	119.4	-55	7	0	0	0	122.7
726	Y	32.2	Very low	31.3	Very low	241 Å²	241	148 Å²	148	95%	0.945	79%	0.792	S	S	*	*				177.2	129.5	125.3	-106.4	-76.1	0	0	0	106.3
727	G	32.7	Very low	31.5	Very low	60 Å²	60	151.9 Å²	151.9	62%	0.619	80%	0.796	S	S	*	*			cis	160.2	135	2.7	0	0	0	0	0	107.2
728	D	29.9	Very low	31.5	Very low	171 Å²	171	152.2 Å²	152.2	91%	0.914	79%	0.793	S	S	*	*			trans	-76.7	170	-154.1	-68	-70.3	0	0	0	118.3
729	V	27.1	Very low	31.5	Very low	124 Å²	124	152 Å²	152	75%	0.752	80%	0.798	S	S	*	*			trans	-81.1	145.5	177.1	174.8	0	0	0	0	110.9
730	I	28.9	Very low	31.6	Very low	145 Å²	145	146.4 Å²	146.4	74%	0.744	79%	0.788	S	S	*	*			trans	-132.7	114.8	160.6	-57.7	177.6	0	0	0	108.4	L732	I730-L732 HydrophobicContact CG2-CG 4.15Å
731	E	27.7	Very low	31.6	Very low	183 Å²	183	147.8 Å²	147.8	86%	0.855	79%	0.792	S	S	*	*			trans	-115.6	132.5	157.4	-72.8	-174	161.1	0	0	107.1
732	L	30.6	Very low	31.6	Very low	156 Å²	156	146.9 Å²	146.9	82%	0.817	79%	0.791	S	S	*	*			trans	-106.2	143.1	178.4	-75.4	161.2	0	0	0	109.3	I730	I730-L732 HydrophobicContact CG2-CG 4.15Å
733	P	33.4	Very low	31.6	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	78%	0.78	S	S	*	*			trans	-82.8	151.3	176.9	33.5	-34	0	0	0	112.8
734	D	28.7	Very low	32	Very low	161 Å²	161	140.9 Å²	140.9	86%	0.861	77%	0.772	S	S	*	*			trans	-76.2	132.6	173.7	-67.3	-52.1	0	0	0	112.4
735	T	36.2	Very low	32	Very low	134 Å²	134	144.9 Å²	144.9	82%	0.822	77%	0.774	S	S	*	*			trans	-152.8	115.8	142.3	47.2	0	0	0	0	111.9
736	N	30.6	Very low	32.3	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	77%	0.766	S	S	*	*			trans	34.4	146.1	138.4	-71.6	5.9	0	0	0	124.3
737	E	32.7	Very low	32.4	Very low	164 Å²	164	140.6 Å²	140.6	77%	0.766	76%	0.759	S	S	*	*			trans	98	100.3	143	-81	161.4	-133.1	0	0	122.1
738	V	34.9	Very low	32.6	Very low	114 Å²	114	143.6 Å²	143.6	69%	0.691	77%	0.77	S	S	*	*				74.2	103.6	118.6	174.6	0	0	0	0	119.4
739	T	33.7	Very low	33	Very low	143 Å²	143	140.2 Å²	140.2	88%	0.877	76%	0.76	S	S	*	*			trans	72.7	144.5	147.2	63.6	0	0	0	0	121.2
740	G	33	Very low	33.5	Very low	71 Å²	71	142 Å²	142	73%	0.732	76%	0.764	S	S	*	*			trans	130.7	72.3	143	0	0	0	0	0	120.1
741	K	34.2	Very low	33.9	Very low	188 Å²	188	138.5 Å²	138.5	82%	0.817	76%	0.763	S	S	*	*			trans	47.2	118.8	139.6	-65.8	179.1	178.1	176.2	0	122.2
742	Q	33.7	Very low	34.4	Very low	155 Å²	155	138.6 Å²	138.6	72%	0.724	76%	0.76	S	S	*	*				70	116.6	121.8	-68.1	179.7	-23.2	0	0	123.6
743	N	32.6	Very low	34.7	Very low	119 Å²	119	140.3 Å²	140.3	64%	0.636	76%	0.761	S	S	*	*				86.7	149.3	120.6	-67.9	-1.1	0	0	0	124
744	H	37.9	Very low	34.7	Very low	148 Å²	148	139.5 Å²	139.5	69%	0.685	76%	0.758	S	S	*	*			trans	66.2	160.2	159.8	-60.9	-57.3	0	0	0	116
745	F	33.6	Very low	35	Very low	165 Å²	165	142 Å²	142	72%	0.724	76%	0.762	S	S	*	*			cis	-168.2	167	-12.5	-113.1	-164	0	0	0	108
746	L	34.8	Very low	34.8	Very low	107 Å²	107	145.8 Å²	145.8	56%	0.56	77%	0.767	S	S	*	*			cis	-171.9	148.5	-26.1	-168.5	68	0	0	0	110.7
747	K	33.9	Very low	35	Very low	179 Å²	179	147 Å²	147	78%	0.778	77%	0.768	S	S	*	*			trans	37.1	137.6	154.9	-73.5	168.1	-167.1	171.3	0	122.4
748	S	36.9	Very low	34.8	Very low	124 Å²	124	148.9 Å²	148.9	87%	0.867	78%	0.776	S	S	*	*				164.1	160.5	119.4	47.5	0	0	0	0	112.4
749	S	37.8	Very low	34.6	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	78%	0.78	S	S	*	*			cis	-169.9	148.9	-33.1	-163.3	0	0	0	0	112.5
750	I	38.4	Very low	34.5	Very low	163 Å²	163	149.6 Å²	149.6	84%	0.836	78%	0.775	S	S	*	*			trans	65.7	137.6	150.3	-74.6	161.5	0	0	0	121.7
751	G	36.1	Very low	34.7	Very low	70 Å²	70	151.6 Å²	151.6	72%	0.722	78%	0.775	S	S	*	*			trans	178.5	4.6	169.7	0	0	0	0	0	124.8
752	K	38.4	Very low	34.6	Very low	185 Å²	185	152.2 Å²	152.2	80%	0.804	78%	0.778	S	S	*	*			trans	42.7	128.9	156.5	-72.4	176.6	178.9	170.1	0	123.5
753	K	37.2	Very low	34.6	Very low	192 Å²	192	154 Å²	154	84%	0.835	78%	0.784	S	S	*	*			trans	65.4	143.2	143	-68.4	-177.1	178.1	-173.9	0	119.4
754	S	34.1	Very low	34.5	Very low	103 Å²	103	152.2 Å²	152.2	72%	0.72	79%	0.785	S	S	*	*			cis	168.7	114.9	-21.7	47.7	0	0	0	0	107.6
755	K	34.7	Very low	34.5	Very low	215 Å²	215	149.6 Å²	149.6	94%	0.935	78%	0.779	S	S	*	*			trans	-149.8	130	159.1	-111.5	178.3	-177.4	177.5	0	109.3	Q757	K755-Q757 PolarHBondContact O-N 3.06Å
756	K	31	Very low	34.5	Very low	213 Å²	213	149.7 Å²	149.7	93%	0.926	79%	0.786	S	S	*	*			trans	-77	111.9	-177.2	-77.5	176.8	173.6	175.7	0	110.9
757	Q	34.4	Very low	34.8	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	79%	0.785	S	S	*	*			trans	-138.5	133.5	146.5	-79.8	-174.9	-9.8	0	0	108	K755 L759	K755-Q757 PolarHBondContact O-N 3.06Å; Q757-L759 PolarHBondContact O-N 2.7Å; Q757-L759 VanDerWaalsContact O-N 3.07Å
758	Q	29	Very low	35.4	Very low	204 Å²	204	140.6 Å²	140.6	95%	0.953	76%	0.762	S	S	*	*			trans	-76.8	95.3	-178.9	-75.3	175.9	-21.5	0	0	110
759	L	32	Very low	35.8	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	75%	0.75	S	S	*	*			trans	-121.2	96.9	172.8	-87.2	157.1	0	0	0	109.1	Q757	Q757-L759 PolarHBondContact O-N 2.7Å; Q757-L759 VanDerWaalsContact O-N 3.07Å
760	T	31.7	Very low	36.6	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	75%	0.753	S	S	*	*			trans	-68.1	124	171.7	51	0	0	0	0	109.7	K762	T760-K762 PolarHBondContact O-N 3.44Å
761	P	37	Very low	37.5	Very low	112 Å²	112	146 Å²	146	73%	0.727	75%	0.748	S	S	*	*			trans	-69.2	123.5	179.5	27.7	-33.1	0	0	0	110.3	F763	P761-F763 PolarHBondContact O-N 2.99Å
762	K	30.4	Very low	39	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	74%	0.736	S	S	*	*			trans	-70.4	99.1	174.6	-73.7	176.1	176.9	172.1	0	109.9	T760 A764	T760-K762 PolarHBondContact O-N 3.44Å; K762-A764 VanDerWaalsContact C-N 3.31Å; K762-A764 PolarHBondContact O-N 3.09Å
763	F	34.4	Very low	40.5	Very low	193 Å²	193	143.2 Å²	143.2	85%	0.846	72%	0.723	S	S	*	*			trans	-67.1	94	157.2	-94.9	-88	0	0	0	109	P761 V765	P761-F763 PolarHBondContact O-N 2.99Å; F763-V765 PolarHBondContact O-N 2.73Å
764	A	31.1	Very low	42.2	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	72%	0.718	S	S	*	*			trans	-73.3	91.6	172.5	0	0	0	0	0	109.4	K762 I766	K762-A764 VanDerWaalsContact C-N 3.31Å; K762-A764 PolarHBondContact O-N 3.09Å; A764-I766 VanDerWaalsContact C-N 3.29Å; A764-I766 PolarHBondContact O-N 2.62Å
765	V	37.2	Very low	44	Very low	94 Å²	94	140 Å²	140	57%	0.57	70%	0.696	S	S	*	*			trans	-70.7	89.3	169.5	-179.5	0	0	0	0	108.4	F763 G767 S768	F763-V765 PolarHBondContact O-N 2.73Å; V765-G767 PolarHBondContact O-N 2.87Å; V765-S768 PolarHBondContact O-N 2.81Å; V765-S768 VanDerWaalsContact O-N 3.12Å; V765-S768 PolarHBondContact O-OG 3Å; V765-S768 VanDerWaalsContact O-OG 3.14Å
766	I	33.5	Very low	46.1	Very low	166 Å²	166	134 Å²	134	85%	0.851	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	85.1	175.1	-60.4	172.2	0	0	0	108.1	A764	A764-I766 VanDerWaalsContact C-N 3.29Å; A764-I766 PolarHBondContact O-N 2.62Å
767	G	42	Very low	48.3	Very low	53 Å²	53	127.3 Å²	127.3	55%	0.546	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	160.1	-33.3	-173.1	0	0	0	0	0	113.5	V765	V765-G767 PolarHBondContact O-N 2.87Å
768	S	46	Very low	50.3	Low	43 Å²	43	127.9 Å²	127.9	30%	0.301	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-35.1	179.3	62.4	0	0	0	0	112.7	V765 K770 W771 Q772	V765-S768 PolarHBondContact O-N 2.81Å; V765-S768 VanDerWaalsContact O-N 3.12Å; V765-S768 PolarHBondContact O-OG 3Å; V765-S768 VanDerWaalsContact O-OG 3.14Å; S768-K770 PolarHBondContact O-N 2.7Å; S768-W771 WeakPolarHBondContact O-CA 3.35Å; S768-W771 WeakPolarHBondContact O-CB 3.27Å; S768-W771 PolarHBondContact O-N 3.39Å; S768-Q772 PolarHBondContact O-N 3.49Å
769	Q	46.3	Very low	52.6	Low	129 Å²	129	124 Å²	124	60%	0.603	63%	0.631	S	S	*	*	H	α-helix	trans	-58.5	-43.9	-177.9	-94.1	163.9	-31.1	0	0	113.2	W771 Q772 D773	Q769-W771 PolarHBondContact O-N 3.49Å; Q769-W771 VanDerWaalsContact O-N 3.14Å; Q769-Q772 PolarHBondContact O-N 2.92Å; Q769-D773 VanDerWaalsContact O-CB 3.3Å; Q769-D773 WeakPolarHBondContact O-CB 3.46Å; Q769-D773 PolarHBondContact O-N 2.9Å
770	K	53	Low	54.9	Low	178 Å²	178	124.2 Å²	124.2	77%	0.774	63%	0.626	S	S	*	*	H	α-helix	trans	-62.1	-24.6	175.4	-81.6	-177.9	178.5	170.7	0	113.7	S768 R774	S768-K770 PolarHBondContact O-N 2.7Å; K770-R774 WeakPolarHBondContact O-CB 3.15Å; K770-R774 WeakPolarHBondContact O-CG 3.38Å; K770-R774 PolarHBondContact O-N 3.24Å
771	W	57.8	Low	57.1	Low	191 Å²	191	123.6 Å²	123.6	72%	0.723	62%	0.615	S	S	*	*	H	α-helix	trans	-83.5	-44.6	174.3	-166.9	95.7	0	0	0	111.4	S768 Q769 R774 A775	S768-W771 WeakPolarHBondContact O-CA 3.35Å; S768-W771 WeakPolarHBondContact O-CB 3.27Å; S768-W771 PolarHBondContact O-N 3.39Å; Q769-W771 PolarHBondContact O-N 3.49Å; Q769-W771 VanDerWaalsContact O-N 3.14Å; W771-R774 PolarHBondContact O-N 3.19Å; W771-A775 HydrophobicContact CE3-CB 4.33Å; W771-A775 HydrophobicContact CZ3-CB 4.23Å; W771-A775 WeakPolarHBondContact O-CB 3.37Å; W771-A775 PolarHBondContact O-N 2.96Å
772	Q	66.8	Low	59.1	Low	99 Å²	99	127.7 Å²	127.7	46%	0.463	62%	0.615	S	S	.	*	H	α-helix	trans	-62.6	-41.5	175.2	-74.9	172.7	-30.4	0	0	111.8	S768 Q769 R774 A775 N776	S768-Q772 PolarHBondContact O-N 3.49Å; Q769-Q772 PolarHBondContact O-N 2.92Å; Q772-R774 VanDerWaalsContact C-N 3.34Å; Q772-R774 PolarHBondContact O-N 3.47Å; Q772-A775 PolarHBondContact O-N 2.99Å; Q772-N776 WeakPolarHBondContact O-CB 3.46Å; Q772-N776 PolarHBondContact O-N 3.49Å; Q772-N776 PolarHBondContact O-ND2 3.01Å
773	D	71.8	Confident	61.5	Low	99 Å²	99	123.4 Å²	123.4	53%	0.529	60%	0.602	S	S	.	*	H	α-helix	trans	-64.2	-37.3	174.7	-68.4	-28.8	0	0	0	112	Q769 S777	Q769-D773 VanDerWaalsContact O-CB 3.3Å; Q769-D773 WeakPolarHBondContact O-CB 3.46Å; Q769-D773 PolarHBondContact O-N 2.9Å; D773-S777 WeakPolarHBondContact O-CB 3.3Å; D773-S777 PolarHBondContact O-N 3.42Å
774	R	71.4	Confident	63.4	Low	194 Å²	194	120.1 Å²	120.1	73%	0.732	59%	0.589	S	S	*	*	H	α-helix	trans	-69.3	-37.1	172.3	-82.8	179.4	169.3	175.6	-0.9	112.6	K770 W771 Q772 R778	K770-R774 WeakPolarHBondContact O-CB 3.15Å; K770-R774 WeakPolarHBondContact O-CG 3.38Å; K770-R774 PolarHBondContact O-N 3.24Å; W771-R774 PolarHBondContact O-N 3.19Å; Q772-R774 VanDerWaalsContact C-N 3.34Å; Q772-R774 PolarHBondContact O-N 3.47Å; R774-R778 WeakPolarHBondContact O-CB 3.46Å; R774-R778 WeakPolarHBondContact O-CG 3.41Å; R774-R778 PolarHBondContact O-N 3.28Å
775	A	72.4	Confident	65.4	Low	33 Å²	33	120.1 Å²	120.1	27%	0.273	58%	0.578	S	S	.	*	H	α-helix	trans	-68	-47.4	175.6	0	0	0	0	0	111.2	W771 Q772 R778 Q779	W771-A775 HydrophobicContact CE3-CB 4.33Å; W771-A775 HydrophobicContact CZ3-CB 4.23Å; W771-A775 WeakPolarHBondContact O-CB 3.37Å; W771-A775 PolarHBondContact O-N 2.96Å; Q772-A775 PolarHBondContact O-N 2.99Å; A775-R778 CarbonylContact O-C 3.57Å; A775-R778 PolarHBondContact O-N 3.02Å; A775-Q779 PolarHBondContact O-N 3.42Å
776	N	78.1	Confident	67.2	Low	88 Å²	88	117.8 Å²	117.8	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-62.1	-43	175.6	-70	-16	0	0	0	111.3	Q772 Q779 K780	Q772-N776 WeakPolarHBondContact O-CB 3.46Å; Q772-N776 PolarHBondContact O-N 3.49Å; Q772-N776 PolarHBondContact O-ND2 3.01Å; N776-Q779 PolarHBondContact O-N 3.24Å; N776-K780 WeakPolarHBondContact O-CB 3.33Å; N776-K780 PolarHBondContact O-N 3.35Å
777	S	77.5	Confident	69.2	Low	74 Å²	74	115.1 Å²	115.1	52%	0.517	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-43.3	174.7	-175.8	0	0	0	0	111.7	D773 Q779 K780 E781	D773-S777 WeakPolarHBondContact O-CB 3.3Å; D773-S777 PolarHBondContact O-N 3.42Å; S777-Q779 PolarHBondContact O-N 2.87Å; S777-K780 PolarHBondContact O-N 3.11Å; S777-E781 WeakPolarHBondContact O-CB 3.19Å; S777-E781 PolarHBondContact O-N 2.9Å
778	R	76.3	Confident	70.6	Confident	181 Å²	181	118.8 Å²	118.8	68%	0.683	56%	0.555	S	S	*	*	H	α-helix	trans	-65.5	-33.5	172.7	-77.6	177.2	168.6	-168.3	-2.2	113.4	R774 A775 R782	R774-R778 WeakPolarHBondContact O-CB 3.46Å; R774-R778 WeakPolarHBondContact O-CG 3.41Å; R774-R778 PolarHBondContact O-N 3.28Å; A775-R778 CarbonylContact O-C 3.57Å; A775-R778 PolarHBondContact O-N 3.02Å; R778-R782 WeakPolarHBondContact O-CB 3.42Å; R778-R782 VanDerWaalsContact O-CG 3.31Å; R778-R782 WeakPolarHBondContact O-CG 3.08Å; R778-R782 PolarHBondContact O-N 2.82Å
779	Q	77.4	Confident	71.7	Confident	121 Å²	121	126.2 Å²	126.2	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-69.6	-43	171.9	-85.5	-177.1	-35.7	0	0	111.4	A775 N776 S777 R782 L783	A775-Q779 PolarHBondContact O-N 3.42Å; N776-Q779 PolarHBondContact O-N 3.24Å; S777-Q779 PolarHBondContact O-N 2.87Å; Q779-R782 PolarHBondContact O-N 3.48Å; Q779-L783 WeakPolarHBondContact O-CB 3.34Å; Q779-L783 VanDerWaalsContact O-CG 3.32Å; Q779-L783 WeakPolarHBondContact O-CG 3.28Å; Q779-L783 PolarHBondContact O-N 3.08Å
780	K	80.3	Confident	72.7	Confident	152 Å²	152	128.7 Å²	128.7	66%	0.661	59%	0.585	S	S	*	*	H	α-helix	trans	-59.9	-44.5	173.1	-114.9	178.6	177.8	177.4	0	111.5	N776 S777 L783 Q784	N776-K780 WeakPolarHBondContact O-CB 3.33Å; N776-K780 PolarHBondContact O-N 3.35Å; S777-K780 PolarHBondContact O-N 3.11Å; K780-L783 PolarHBondContact O-N 3.42Å; K780-Q784 WeakPolarHBondContact O-CB 3.31Å; K780-Q784 WeakPolarHBondContact O-CG 3.48Å; K780-Q784 PolarHBondContact O-N 3.48Å
781	E	79.4	Confident	72.9	Confident	114 Å²	114	127.7 Å²	127.7	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-64.7	-39.3	176	-170.9	-178	-163.9	0	0	111.6	S777 N785	S777-E781 WeakPolarHBondContact O-CB 3.19Å; S777-E781 PolarHBondContact O-N 2.9Å; E781-N785 WeakPolarHBondContact O-CB 3.42Å; E781-N785 PolarHBondContact O-N 3.18Å; E781-N785 PolarHBondContact O-ND2 2.9Å
782	R	78.7	Confident	72.1	Confident	197 Å²	197	123 Å²	123	74%	0.743	57%	0.569	S	S	*	*	H	α-helix	trans	-65.5	-41.2	172.1	-81.6	178.7	168.9	-164.8	-2.8	112.6	R778 Q779 N785 A786	R778-R782 WeakPolarHBondContact O-CB 3.42Å; R778-R782 VanDerWaalsContact O-CG 3.31Å; R778-R782 WeakPolarHBondContact O-CG 3.08Å; R778-R782 PolarHBondContact O-N 2.82Å; Q779-R782 PolarHBondContact O-N 3.48Å; R782-N785 PolarHBondContact O-N 3Å; R782-A786 VanDerWaalsContact O-CB 3.3Å; R782-A786 WeakPolarHBondContact O-CB 3.44Å; R782-A786 PolarHBondContact O-N 3Å
783	L	79.4	Confident	70.6	Confident	113 Å²	113	129 Å²	129	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-67.6	-43.8	177.3	-75.4	167.7	0	0	0	111.1	Q779 K780 A786 E787	Q779-L783 WeakPolarHBondContact O-CB 3.34Å; Q779-L783 VanDerWaalsContact O-CG 3.32Å; Q779-L783 WeakPolarHBondContact O-CG 3.28Å; Q779-L783 PolarHBondContact O-N 3.08Å; K780-L783 PolarHBondContact O-N 3.42Å; L783-A786 CarbonylContact O-C 3.57Å; L783-A786 WeakPolarHBondContact O-CB 3.48Å; L783-A786 PolarHBondContact O-N 3.28Å; L783-A786 VanDerWaalsContact O-N 3.13Å; L783-E787 WeakPolarHBondContact O-CB 3.5Å; L783-E787 WeakPolarHBondContact O-CG 3.48Å; L783-E787 PolarHBondContact O-N 3.47Å
784	Q	75.4	Confident	68.9	Low	124 Å²	124	133.6 Å²	133.6	58%	0.579	60%	0.603	S	S	*	*	H	α-helix	trans	-61	-45.4	172.5	-78.2	-178.7	-27.1	0	0	111.7	K780 A786 E787 E788	K780-Q784 WeakPolarHBondContact O-CB 3.31Å; K780-Q784 WeakPolarHBondContact O-CG 3.48Å; K780-Q784 PolarHBondContact O-N 3.48Å; Q784-A786 VanDerWaalsContact C-N 3.27Å; Q784-A786 PolarHBondContact O-N 2.9Å; Q784-E787 PolarHBondContact O-N 2.96Å; Q784-E788 WeakPolarHBondContact O-CB 2.99Å; Q784-E788 WeakPolarHBondContact O-CG 3.21Å; Q784-E788 PolarHBondContact O-N 3.14Å
785	N	73.5	Confident	67.2	Low	79 Å²	79	130.4 Å²	130.4	42%	0.422	61%	0.607	S	S	.	*	H	α-helix	trans	-63.1	-32	173.7	-84.7	-81.5	0	0	0	112.7	E781 R782 R789	E781-N785 WeakPolarHBondContact O-CB 3.42Å; E781-N785 PolarHBondContact O-N 3.18Å; E781-N785 PolarHBondContact O-ND2 2.9Å; R782-N785 PolarHBondContact O-N 3Å; N785-R789 WeakPolarHBondContact O-CB 3.3Å; N785-R789 WeakPolarHBondContact O-CD 3.46Å; N785-R789 WeakPolarHBondContact O-CG 3.45Å; N785-R789 PolarHBondContact O-N 2.84Å
786	A	75.4	Confident	65.5	Low	45 Å²	45	138.5 Å²	138.5	37%	0.372	64%	0.636	S	S	.	*	H	α-helix	trans	-74.6	-37.6	175	0	0	0	0	0	112.2	R782 L783 Q784 R789 K790	R782-A786 VanDerWaalsContact O-CB 3.3Å; R782-A786 WeakPolarHBondContact O-CB 3.44Å; R782-A786 PolarHBondContact O-N 3Å; L783-A786 CarbonylContact O-C 3.57Å; L783-A786 WeakPolarHBondContact O-CB 3.48Å; L783-A786 PolarHBondContact O-N 3.28Å; L783-A786 VanDerWaalsContact O-N 3.13Å; Q784-A786 VanDerWaalsContact C-N 3.27Å; Q784-A786 PolarHBondContact O-N 2.9Å; A786-R789 WeakPolarHBondContact O-CB 3.19Å; A786-R789 PolarHBondContact O-N 3.48Å; A786-K790 WeakPolarHBondContact O-CG 3.36Å; A786-K790 PolarHBondContact O-N 3.24Å
787	E	74	Confident	63.2	Low	110 Å²	110	138.2 Å²	138.2	51%	0.514	65%	0.654	S	S	.	*	H	α-helix	trans	-68.7	-41.9	172.7	-78	-168.6	177.7	0	0	112.1	L783 Q784 R789 K790 K791	L783-E787 WeakPolarHBondContact O-CB 3.5Å; L783-E787 WeakPolarHBondContact O-CG 3.48Å; L783-E787 PolarHBondContact O-N 3.47Å; Q784-E787 PolarHBondContact O-N 2.96Å; E787-R789 VanDerWaalsContact C-N 3.3Å; E787-R789 PolarHBondContact O-N 2.69Å; E787-K790 CarbonylContact O-C 3.59Å; E787-K790 WeakPolarHBondContact O-CA 3.48Å; E787-K790 PolarHBondContact O-N 3.44Å; E787-K791 WeakPolarHBondContact O-CB 3.31Å; E787-K791 WeakPolarHBondContact O-CG 3.35Å; E787-K791 PolarHBondContact O-N 2.95Å
788	E	71.5	Confident	61.2	Low	130 Å²	130	140.2 Å²	140.2	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-59.4	-43.2	170.7	-76.6	-166.2	158	0	0	110.6	Q784 K790 K791 I792	Q784-E788 WeakPolarHBondContact O-CB 2.99Å; Q784-E788 WeakPolarHBondContact O-CG 3.21Å; Q784-E788 PolarHBondContact O-N 3.14Å; E788-K790 VanDerWaalsContact C-N 3.28Å; E788-K790 PolarHBondContact O-N 3.47Å; E788-K791 PolarHBondContact O-N 3.42Å; E788-I792 WeakPolarHBondContact O-CG1 3.48Å; E788-I792 PolarHBondContact O-N 3.22Å
789	R	69	Low	59.1	Low	200 Å²	200	143.2 Å²	143.2	76%	0.755	68%	0.679	S	S	*	*	H	α-helix	trans	-61.8	-31.1	172.7	-78.9	172.2	173.7	-119	0.4	113.4	N785 A786 E787	N785-R789 WeakPolarHBondContact O-CB 3.3Å; N785-R789 WeakPolarHBondContact O-CD 3.46Å; N785-R789 WeakPolarHBondContact O-CG 3.45Å; N785-R789 PolarHBondContact O-N 2.84Å; A786-R789 WeakPolarHBondContact O-CB 3.19Å; A786-R789 PolarHBondContact O-N 3.48Å; E787-R789 VanDerWaalsContact C-N 3.3Å; E787-R789 PolarHBondContact O-N 2.69Å
790	K	67	Low	57.1	Low	180 Å²	180	143.7 Å²	143.7	78%	0.783	69%	0.691	S	S	*	*	H	α-helix	trans	-79.3	-32.6	172.8	-74.3	177.8	177.5	-177.2	0	112.9	A786 E787 E788 I792	A786-K790 WeakPolarHBondContact O-CG 3.36Å; A786-K790 PolarHBondContact O-N 3.24Å; E787-K790 CarbonylContact O-C 3.59Å; E787-K790 WeakPolarHBondContact O-CA 3.48Å; E787-K790 PolarHBondContact O-N 3.44Å; E788-K790 VanDerWaalsContact C-N 3.28Å; E788-K790 PolarHBondContact O-N 3.47Å; K790-I792 VanDerWaalsContact C-N 3.25Å; K790-I792 PolarHBondContact O-N 3.28Å
791	K	57.6	Low	54.8	Low	158 Å²	158	146.7 Å²	146.7	69%	0.687	71%	0.705	S	S	*	*	H	α-helix	trans	-72.2	-16.5	175.1	-75.3	174.9	-178.9	170.7	0	112.6	E787 E788 R793	E787-K791 WeakPolarHBondContact O-CB 3.31Å; E787-K791 WeakPolarHBondContact O-CG 3.35Å; E787-K791 PolarHBondContact O-N 2.95Å; E788-K791 PolarHBondContact O-N 3.42Å; K791-R793 PolarHBondContact O-N 3.39Å
792	I	41.7	Very low	52.7	Low	91 Å²	91	144.5 Å²	144.5	47%	0.467	71%	0.713	S	S	.	*	S	Bend	trans	-66	84.3	160.8	-61.4	168.1	0	0	0	108.3	E788 K790 K794	E788-I792 WeakPolarHBondContact O-CG1 3.48Å; E788-I792 PolarHBondContact O-N 3.22Å; K790-I792 VanDerWaalsContact C-N 3.25Å; K790-I792 PolarHBondContact O-N 3.28Å; I792-K794 PolarHBondContact O-N 3.14Å
793	R	35.7	Very low	50.9	Low	227 Å²	227	143.9 Å²	143.9	86%	0.857	72%	0.718	S	S	*	*			trans	-52.3	122.7	169.5	-79.3	179.1	160.2	-177.8	-6	108.7	K791 P795	K791-R793 PolarHBondContact O-N 3.39Å; R793-P795 WeakPolarHBondContact O-CD 3.44Å
794	K	35.9	Very low	49.1	Very low	194 Å²	194	146.7 Å²	146.7	84%	0.843	73%	0.733	S	S	*	*			trans	-55.2	125.4	165.2	-68.9	-180	177.5	179.8	0	107.8	I792 K796	I792-K794 PolarHBondContact O-N 3.14Å; K794-K796 PolarHBondContact O-N 2.83Å
795	P	34.8	Very low	48	Very low	127 Å²	127	147.3 Å²	147.3	83%	0.825	73%	0.73	S	S	*	*			trans	-66.5	102.6	169.5	26.6	-31.6	0	0	0	108.4	R793	R793-P795 WeakPolarHBondContact O-CD 3.44Å
796	K	36.9	Very low	47.3	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	74%	0.736	S	S	*	*			trans	-64.5	132.1	160.2	-76.6	-173.3	173.4	-175	0	106.7	K794 S798	K794-K796 PolarHBondContact O-N 2.83Å; K796-S798 PolarHBondContact O-N 2.98Å
797	G	31	Very low	46.8	Very low	82 Å²	82	151.3 Å²	151.3	85%	0.845	75%	0.75	S	S	*	*			trans	-68.7	128.9	-163.6	0	0	0	0	0	114.2
798	S	35.4	Very low	46.7	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	76%	0.76	S	S	*	*			trans	-124.7	129.9	148.4	57.5	0	0	0	0	108	K796	K796-S798 PolarHBondContact O-N 2.98Å
799	R	31.1	Very low	46.7	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	75%	0.754	S	S	*	*			trans	-91.1	111.5	-166.8	-62.2	149.3	117.6	161.4	-1	110
800	T	35.2	Very low	47	Very low	132 Å²	132	146.4 Å²	146.4	81%	0.81	74%	0.737	S	S	*	*			trans	179.9	152.7	152.5	24.9	0	0	0	0	112.5
801	F	32.9	Very low	47.4	Very low	215 Å²	215	142.6 Å²	142.6	94%	0.943	73%	0.725	S	S	*	*			trans	58.9	135.6	154	-104.5	-108.2	0	0	0	120.8
802	G	35.9	Very low	48.4	Very low	68 Å²	68	143 Å²	143	70%	0.701	73%	0.727	S	S	*	*			trans	124	-23.1	160.2	0	0	0	0	0	116.9	L804	G802-L804 PolarHBondContact O-N 2.85Å; G802-L804 VanDerWaalsContact O-N 3.15Å
803	Q	39.7	Very low	50	Low	183 Å²	183	143 Å²	143	86%	0.855	73%	0.725	S	S	*	*			trans	-73.8	109.8	172.9	-77.1	-175.9	-14	0	0	110.4	R805	Q803-R805 PolarHBondContact O-N 3.42Å
804	L	42.2	Very low	52.1	Low	173 Å²	173	140.5 Å²	140.5	91%	0.906	72%	0.715	S	S	*	*			trans	-51.6	113.2	161.1	-85.2	113.8	0	0	0	108.2	G802 L806	G802-L804 PolarHBondContact O-N 2.85Å; G802-L804 VanDerWaalsContact O-N 3.15Å; L804-L806 PolarHBondContact O-N 3.44Å
805	R	50.8	Low	54.3	Low	136 Å²	136	137.8 Å²	137.8	51%	0.513	70%	0.703	S	S	.	*			trans	-66.2	130.3	174	-68.1	174.1	177	-176.5	-7.7	108	Q803 Q809 I810 Q813	Q803-R805 PolarHBondContact O-N 3.42Å; R805-Q809 HydrophobicContact CB-CB 4.3Å; R805-I810 HydrophobicContact CB-CD1 4.14Å; R805-I810 HydrophobicContact CB-CG1 3.65Å; R805-Q813 VanDerWaalsContact CZ-OE1 3.29Å
806	L	59.5	Low	56.6	Low	105 Å²	105	136.7 Å²	136.7	55%	0.55	69%	0.69	S	S	.	*			trans	-54.1	144.4	168.5	-74.4	156.7	0	0	0	109.1	L804 E808 Q809 I810	L804-L806 PolarHBondContact O-N 3.44Å; L806-E808 PolarHBondContact O-N 2.84Å; L806-E808 VanDerWaalsContact O-N 3.11Å; L806-Q809 HydrophobicContact CB-CG 4.25Å; L806-Q809 WeakPolarHBondContact O-CA 3.39Å; L806-Q809 WeakPolarHBondContact O-CB 3.49Å; L806-Q809 PolarHBondContact O-N 2.87Å; L806-I810 PolarHBondContact O-N 3.4Å; L806-I810 VanDerWaalsContact O-N 3.17Å
807	P	65.4	Low	58.7	Low	103 Å²	103	135.8 Å²	135.8	67%	0.669	68%	0.681	S	S	*	*	H	α-helix	trans	-50.5	-38.8	178.4	-29.4	35.9	0	0	0	112.8	Q809 I810 L811	P807-Q809 PolarHBondContact O-N 2.66Å; P807-I810 WeakPolarHBondContact O-CB 3.21Å; P807-I810 PolarHBondContact O-N 3.4Å; P807-L811 PolarHBondContact O-N 2.95Å
808	E	70.9	Confident	61.2	Low	154 Å²	154	137.5 Å²	137.5	72%	0.72	67%	0.667	S	S	*	*	H	α-helix	trans	-60.7	-38.9	173.5	-62.1	-173.6	123.3	0	0	114	L806 I810 L811 K812	L806-E808 PolarHBondContact O-N 2.84Å; L806-E808 VanDerWaalsContact O-N 3.11Å; E808-I810 VanDerWaalsContact C-N 3.33Å; E808-L811 PolarHBondContact O-N 2.93Å; E808-K812 VanDerWaalsContact O-CB 3.23Å; E808-K812 WeakPolarHBondContact O-CB 3.48Å; E808-K812 PolarHBondContact O-N 3.18Å
809	Q	73.1	Confident	63.5	Low	104 Å²	104	139 Å²	139	49%	0.486	66%	0.659	S	S	.	*	H	α-helix	trans	-68.7	-34.9	176.9	-70.7	-178.5	-14.8	0	0	111.4	R805 L806 P807 Q813	R805-Q809 HydrophobicContact CB-CB 4.3Å; L806-Q809 HydrophobicContact CB-CG 4.25Å; L806-Q809 WeakPolarHBondContact O-CA 3.39Å; L806-Q809 WeakPolarHBondContact O-CB 3.49Å; L806-Q809 PolarHBondContact O-N 2.87Å; P807-Q809 PolarHBondContact O-N 2.66Å; Q809-Q813 WeakPolarHBondContact O-CB 3.3Å; Q809-Q813 PolarHBondContact O-N 3.27Å
810	I	74.1	Confident	66	Low	79 Å²	79	133.1 Å²	133.1	41%	0.405	64%	0.642	S	S	.	*	H	α-helix	trans	-65.9	-45	172.1	-59.2	174.9	0	0	0	109.7	R805 L806 P807 E808 Q813 R814	R805-I810 HydrophobicContact CB-CD1 4.14Å; R805-I810 HydrophobicContact CB-CG1 3.65Å; L806-I810 PolarHBondContact O-N 3.4Å; L806-I810 VanDerWaalsContact O-N 3.17Å; P807-I810 WeakPolarHBondContact O-CB 3.21Å; P807-I810 PolarHBondContact O-N 3.4Å; E808-I810 VanDerWaalsContact C-N 3.33Å; I810-Q813 PolarHBondContact O-N 2.66Å; I810-R814 PolarHBondContact O-N 3.24Å
811	L	75.1	Confident	68.3	Low	100 Å²	100	134.6 Å²	134.6	52%	0.524	64%	0.637	S	S	.	*	H	α-helix	trans	-64.9	-42.6	178.5	-147.9	89.4	0	0	0	112.3	P807 E808 R814 K815	P807-L811 PolarHBondContact O-N 2.95Å; E808-L811 PolarHBondContact O-N 2.93Å; L811-R814 PolarHBondContact O-N 2.98Å; L811-K815 PolarHBondContact O-N 2.86Å
812	K	78.7	Confident	70.5	Confident	167 Å²	167	130.2 Å²	130.2	73%	0.726	62%	0.62	S	S	*	*	H	α-helix	trans	-66.5	-38.7	178	-157.8	168.3	-171.2	172.4	0	110.9	E808 L816	E808-K812 VanDerWaalsContact O-CB 3.23Å; E808-K812 WeakPolarHBondContact O-CB 3.48Å; E808-K812 PolarHBondContact O-N 3.18Å; K812-L816 VanDerWaalsContact O-CB 3.3Å; K812-L816 WeakPolarHBondContact O-CB 3.49Å; K812-L816 PolarHBondContact O-N 3.27Å
813	Q	76	Confident	72.6	Confident	92 Å²	92	136.1 Å²	136.1	43%	0.43	62%	0.621	S	S	.	*	H	α-helix	trans	-67.7	-37.2	169.9	-79.2	-163.1	2.7	0	0	113.4	R805 Q809 I810 L816 R817	R805-Q813 VanDerWaalsContact CZ-OE1 3.29Å; Q809-Q813 WeakPolarHBondContact O-CB 3.3Å; Q809-Q813 PolarHBondContact O-N 3.27Å; I810-Q813 PolarHBondContact O-N 2.66Å; Q813-L816 PolarHBondContact O-N 3.31Å; Q813-R817 WeakPolarHBondContact O-CB 3.42Å; Q813-R817 PolarHBondContact O-N 2.97Å
814	R	80.1	Confident	74.7	Confident	174 Å²	174	130.2 Å²	130.2	66%	0.657	60%	0.603	S	S	*	*	H	α-helix	trans	-61.3	-53.7	173.5	-83.4	-174.9	171.3	-174.3	-2.4	111.1	I810 L811 L816 R817 E818	I810-R814 PolarHBondContact O-N 3.24Å; L811-R814 PolarHBondContact O-N 2.98Å; R814-L816 VanDerWaalsContact C-N 3.28Å; R814-L816 PolarHBondContact O-N 2.85Å; R814-R817 PolarHBondContact O-N 3.4Å; R814-R817 VanDerWaalsContact O-N 3.14Å; R814-E818 PolarHBondContact O-N 3.41Å
815	K	82.5	Confident	76.4	Confident	136 Å²	136	130 Å²	130	59%	0.591	59%	0.59	S	S	*	*	H	α-helix	trans	-58.2	-37.1	176.6	-75.4	-171.9	175	-177.6	0	112.7	L811 E818 K819	L811-K815 PolarHBondContact O-N 2.86Å; K815-E818 PolarHBondContact O-N 3.44Å; K815-K819 PolarHBondContact O-N 2.96Å
816	L	81.2	Confident	77.7	Confident	105 Å²	105	130.7 Å²	130.7	55%	0.55	60%	0.597	S	S	.	*	H	α-helix	trans	-71.7	-39	177.5	-158.6	124.3	0	0	0	112.2	K812 Q813 R814 K819 Q820	K812-L816 VanDerWaalsContact O-CB 3.3Å; K812-L816 WeakPolarHBondContact O-CB 3.49Å; K812-L816 PolarHBondContact O-N 3.27Å; Q813-L816 PolarHBondContact O-N 3.31Å; R814-L816 VanDerWaalsContact C-N 3.28Å; R814-L816 PolarHBondContact O-N 2.85Å; L816-K819 PolarHBondContact O-N 3.27Å; L816-Q820 WeakPolarHBondContact O-CB 3.45Å; L816-Q820 WeakPolarHBondContact O-CG 3.48Å; L816-Q820 PolarHBondContact O-N 2.87Å
817	R	81.9	Confident	78.6	Confident	184 Å²	184	130.9 Å²	130.9	69%	0.694	60%	0.599	S	S	*	*	H	α-helix	trans	-64.4	-37.5	170.7	-86.9	-176.2	161.3	-169.6	-5.4	112.4	Q813 R814 Q820 K821	Q813-R817 WeakPolarHBondContact O-CB 3.42Å; Q813-R817 PolarHBondContact O-N 2.97Å; R814-R817 PolarHBondContact O-N 3.4Å; R814-R817 VanDerWaalsContact O-N 3.14Å; R817-Q820 PolarHBondContact O-N 2.84Å; R817-K821 WeakPolarHBondContact O-CB 3.3Å; R817-K821 PolarHBondContact O-N 2.97Å
818	E	82.8	Confident	79	Confident	117 Å²	117	133.2 Å²	133.2	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-47.4	173.4	-78	-179.1	134.2	0	0	111.9	R814 K815 Q820 K821 Q822	R814-E818 PolarHBondContact O-N 3.41Å; K815-E818 PolarHBondContact O-N 3.44Å; E818-Q820 VanDerWaalsContact C-N 3.26Å; E818-Q820 PolarHBondContact O-N 3.47Å; E818-K821 PolarHBondContact O-N 3.43Å; E818-K821 VanDerWaalsContact O-N 3.14Å; E818-Q822 WeakPolarHBondContact O-CB 3.26Å; E818-Q822 WeakPolarHBondContact O-CG 3.37Å; E818-Q822 PolarHBondContact O-N 3.14Å
819	K	85.3	Confident	79.1	Confident	150 Å²	150	129.1 Å²	129.1	65%	0.652	58%	0.581	S	S	*	*	H	α-helix	trans	-58.3	-38.2	173.3	-93.2	-173.1	173.1	-179.7	0	112.2	K815 L816 R823	K815-K819 PolarHBondContact O-N 2.96Å; L816-K819 PolarHBondContact O-N 3.27Å; K819-R823 WeakPolarHBondContact O-CB 3.39Å; K819-R823 WeakPolarHBondContact O-CG 3.35Å; K819-R823 PolarHBondContact O-N 3.09Å
820	Q	82.1	Confident	79	Confident	118 Å²	118	129 Å²	129	55%	0.551	58%	0.584	S	S	*	*	H	α-helix	trans	-67.4	-43.6	173.7	-76.7	179.9	-14	0	0	112.3	L816 R817 E818 R823 A824	L816-Q820 WeakPolarHBondContact O-CB 3.45Å; L816-Q820 WeakPolarHBondContact O-CG 3.48Å; L816-Q820 PolarHBondContact O-N 2.87Å; R817-Q820 PolarHBondContact O-N 2.84Å; E818-Q820 VanDerWaalsContact C-N 3.26Å; E818-Q820 PolarHBondContact O-N 3.47Å; Q820-R823 PolarHBondContact O-N 3.02Å; Q820-A824 VanDerWaalsContact O-CB 3.31Å; Q820-A824 WeakPolarHBondContact O-CB 3.44Å; Q820-A824 PolarHBondContact O-N 3.44Å
821	K	83.6	Confident	78.5	Confident	163 Å²	163	130.6 Å²	130.6	71%	0.709	59%	0.593	S	S	*	*	H	α-helix	trans	-60.9	-44.4	173.8	-83.5	-170.7	171.3	-170.1	0	112.1	R817 E818 A824 W825	R817-K821 WeakPolarHBondContact O-CB 3.3Å; R817-K821 PolarHBondContact O-N 2.97Å; E818-K821 PolarHBondContact O-N 3.43Å; E818-K821 VanDerWaalsContact O-N 3.14Å; K821-A824 PolarHBondContact O-N 3.48Å; K821-W825 WeakPolarHBondContact O-CB 3.36Å; K821-W825 PolarHBondContact O-N 2.84Å
822	Q	80.2	Confident	77.7	Confident	124 Å²	124	132 Å²	132	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-41.4	176.8	-74.5	-177.6	-8.6	0	0	112.1	E818 W825 K826	E818-Q822 WeakPolarHBondContact O-CB 3.26Å; E818-Q822 WeakPolarHBondContact O-CG 3.37Å; E818-Q822 PolarHBondContact O-N 3.14Å; Q822-W825 PolarHBondContact O-N 3Å; Q822-K826 WeakPolarHBondContact O-CB 3.47Å; Q822-K826 PolarHBondContact O-N 2.62Å
823	R	80.4	Confident	76.7	Confident	192 Å²	192	127 Å²	127	73%	0.725	58%	0.583	S	S	*	*	H	α-helix	trans	-64	-43.4	172.8	-79.4	-177.4	169.8	-170.9	-4	112	K819 Q820 W825 K826 N827	K819-R823 WeakPolarHBondContact O-CB 3.39Å; K819-R823 WeakPolarHBondContact O-CG 3.35Å; K819-R823 PolarHBondContact O-N 3.09Å; Q820-R823 PolarHBondContact O-N 3.02Å; R823-W825 VanDerWaalsContact C-N 3.34Å; R823-W825 PolarHBondContact O-N 2.93Å; R823-K826 PolarHBondContact O-N 3.11Å; R823-N827 WeakPolarHBondContact O-CB 3.42Å; R823-N827 PolarHBondContact O-N 3.38Å
824	A	82.2	Confident	75.8	Confident	58 Å²	58	128.9 Å²	128.9	48%	0.479	59%	0.592	S	S	.	*	H	α-helix	trans	-63.7	-38.5	176.4	0	0	0	0	0	112.1	Q820 K821 K828	Q820-A824 VanDerWaalsContact O-CB 3.31Å; Q820-A824 WeakPolarHBondContact O-CB 3.44Å; Q820-A824 PolarHBondContact O-N 3.44Å; K821-A824 PolarHBondContact O-N 3.48Å; A824-K828 WeakPolarHBondContact O-CB 3.25Å; A824-K828 PolarHBondContact O-N 3.03Å
825	W	77.5	Confident	74.7	Confident	169 Å²	169	128.6 Å²	128.6	64%	0.64	60%	0.595	S	S	*	*	H	α-helix	trans	-69	-44.8	175.8	-173.8	49.5	0	0	0	112.2	K821 Q822 R823 N827 K828 N829	K821-W825 WeakPolarHBondContact O-CB 3.36Å; K821-W825 PolarHBondContact O-N 2.84Å; Q822-W825 PolarHBondContact O-N 3Å; R823-W825 VanDerWaalsContact C-N 3.34Å; R823-W825 PolarHBondContact O-N 2.93Å; W825-N827 VanDerWaalsContact C-N 3.34Å; W825-N827 PolarHBondContact O-N 3.45Å; W825-K828 PolarHBondContact O-N 3.07Å; W825-N829 PolarHBondContact NE1-OD1 2.81Å; W825-N829 PolarHBondContact O-N 3.44Å
826	K	79.1	Confident	73.4	Confident	151 Å²	151	130.8 Å²	130.8	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-58.3	-43.2	172	-79.4	-168.3	171.7	-169.9	0	112.1	Q822 R823 N829 N830	Q822-K826 WeakPolarHBondContact O-CB 3.47Å; Q822-K826 PolarHBondContact O-N 2.62Å; R823-K826 PolarHBondContact O-N 3.11Å; K826-N829 PolarHBondContact O-N 2.76Å; K826-N830 WeakPolarHBondContact O-CB 3.07Å; K826-N830 PolarHBondContact O-N 2.75Å
827	N	77.9	Confident	72.1	Confident	109 Å²	109	136.1 Å²	136.1	58%	0.583	62%	0.618	S	S	*	*	H	α-helix	trans	-68	-34.9	175.9	-77.2	14.6	0	0	0	112.8	R823 W825 N831	R823-N827 WeakPolarHBondContact O-CB 3.42Å; R823-N827 PolarHBondContact O-N 3.38Å; W825-N827 VanDerWaalsContact C-N 3.34Å; W825-N827 PolarHBondContact O-N 3.45Å; N827-N831 WeakPolarHBondContact O-CB 3.41Å; N827-N831 PolarHBondContact O-N 2.93Å
828	K	75.2	Confident	70.5	Confident	151 Å²	151	136.2 Å²	136.2	66%	0.657	62%	0.623	S	S	*	*	H	α-helix	trans	-64.8	-45.3	172.6	-107.4	-174.3	173.1	-174.3	0	111.7	A824 W825 N831 Q832	A824-K828 WeakPolarHBondContact O-CB 3.25Å; A824-K828 PolarHBondContact O-N 3.03Å; W825-K828 PolarHBondContact O-N 3.07Å; K828-N831 PolarHBondContact O-N 2.93Å; K828-Q832 WeakPolarHBondContact O-CB 3.44Å; K828-Q832 PolarHBondContact O-N 3.34Å
829	N	72.8	Confident	68.6	Low	69 Å²	69	141.7 Å²	141.7	37%	0.369	65%	0.648	S	S	.	*	H	α-helix	trans	-66.6	-40.2	178.2	-74.2	11.3	0	0	0	111.8	W825 K826 Q832 S833	W825-N829 PolarHBondContact NE1-OD1 2.81Å; W825-N829 PolarHBondContact O-N 3.44Å; K826-N829 PolarHBondContact O-N 2.76Å; N829-Q832 PolarHBondContact O-N 2.8Å; N829-S833 PolarHBondContact O-N 2.85Å; N829-S833 PolarHBondContact O-OG 2.87Å
830	N	69.6	Low	67.7	Low	100 Å²	100	141.3 Å²	141.3	54%	0.535	65%	0.648	S	S	.	*	H	α-helix	trans	-66.4	-35.5	173.8	-90.8	15.6	0	0	0	113.1	K826 S833 H834	K826-N830 WeakPolarHBondContact O-CB 3.07Å; K826-N830 PolarHBondContact O-N 2.75Å; N830-S833 WeakPolarHBondContact CA-OG 3.21Å; N830-S833 PolarHBondContact O-OG 3.34Å; N830-H834 WeakPolarHBondContact O-CB 3.47Å; N830-H834 PolarHBondContact O-N 2.94Å
831	N	63.4	Low	67	Low	114 Å²	114	142.5 Å²	142.5	61%	0.61	65%	0.653	S	S	*	*	H	α-helix	trans	-75.1	-26.2	174.6	-79.1	-1.1	0	0	0	112.7	N827 K828 K835	N827-N831 WeakPolarHBondContact O-CB 3.41Å; N827-N831 PolarHBondContact O-N 2.93Å; K828-N831 PolarHBondContact O-N 2.93Å; N831-K835 WeakPolarHBondContact O-CB 3.38Å; N831-K835 PolarHBondContact O-N 3.13Å
832	Q	60.1	Low	66.1	Low	129 Å²	129	141.3 Å²	141.3	60%	0.603	65%	0.65	S	S	*	*	H	α-helix	trans	-77.1	-36.1	171.2	-79.8	-177	-43.4	0	0	112.5	K828 N829 K835 K836	K828-Q832 WeakPolarHBondContact O-CB 3.44Å; K828-Q832 PolarHBondContact O-N 3.34Å; N829-Q832 PolarHBondContact O-N 2.8Å; Q832-K835 PolarHBondContact O-N 3.2Å; Q832-K836 PolarHBondContact O-N 3.1Å
833	S	57.7	Low	65.2	Low	62 Å²	62	142.4 Å²	142.4	43%	0.434	65%	0.654	S	S	.	*	H	α-helix	trans	-68.2	-36.5	172.3	63.6	0	0	0	0	112.1	N829 N830 K836 R837	N829-S833 PolarHBondContact O-N 2.85Å; N829-S833 PolarHBondContact O-OG 2.87Å; N830-S833 WeakPolarHBondContact CA-OG 3.21Å; N830-S833 PolarHBondContact O-OG 3.34Å; S833-K836 PolarHBondContact O-N 3.48Å; S833-R837 PolarHBondContact O-N 3.17Å
834	H	56.3	Low	64.3	Low	132 Å²	132	139.3 Å²	139.3	61%	0.611	65%	0.65	S	S	*	*	H	α-helix	trans	-70.9	-29	171.1	-89.8	-57.7	0	0	0	114.3	N830	N830-H834 WeakPolarHBondContact O-CB 3.47Å; N830-H834 PolarHBondContact O-N 2.94Å
835	K	57.2	Low	63.1	Low	168 Å²	168	144.7 Å²	144.7	73%	0.73	66%	0.661	S	S	*	*	H	α-helix	trans	-74.9	-30.1	170.7	-83.2	-166.6	169.8	-167.3	0	113.4	N831 Q832 R837 K838	N831-K835 WeakPolarHBondContact O-CB 3.38Å; N831-K835 PolarHBondContact O-N 3.13Å; Q832-K835 PolarHBondContact O-N 3.2Å; K835-R837 PolarHBondContact O-N 3.35Å; K835-K838 PolarHBondContact O-N 3Å
836	K	55.7	Low	62.1	Low	182 Å²	182	142.9 Å²	142.9	79%	0.791	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	6.9	172.4	-80.3	-164.8	170.1	-167.7	0	115	Q832 S833	Q832-K836 PolarHBondContact O-N 3.1Å; S833-K836 PolarHBondContact O-N 3.48Å
837	R	53.1	Low	60.8	Low	216 Å²	216	142.3 Å²	142.3	82%	0.815	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	19.9	165.6	-81.1	-175.2	162.2	-173.5	-6	112.6	S833 K835	S833-R837 PolarHBondContact O-N 3.17Å; K835-R837 PolarHBondContact O-N 3.35Å
838	K	48.8	Very low	59.3	Low	187 Å²	187	145.1 Å²	145.1	81%	0.813	67%	0.67	S	S	*	*			trans	-123.3	9.5	169.3	-80.8	-159.3	169.6	-164.7	0	113.4	K835	K835-K838 PolarHBondContact O-N 3Å
839	H	42.1	Very low	57.9	Low	231 Å²	231	144.5 Å²	144.5	100%	1.069	67%	0.671	S	S	*	*			trans	-108.7	0	137.9	-64.9	-60.2	0	0	0	106.1

Retrieved 839 of 839 residues in 952.7 ms (Link to these results)

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