G4LVS4_SCHMA Loading...

Saposin containing protein

AlphaFold DB , UniProt , Accession G4LVS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 927 aa.

						>G4LVS4_SCHMA|G4LVS4
MLHWTFVVIFLSHLFVSHATVDRLVCRSAVSAQKHNILPECISEWKKYPWSQFRIDNSSECTNCRLISPYVWDYKIEPLLCATGVKDEECKNIINALSQLKYIKNRNDVLCNILTLCDSHTYIKDLNFGVPLCDDCKRLVNDMRRLIEDNSTAAQIEAQLDELVCNNLPGEIIPYCKNLVNVHIPYILHIISEKMSPEEICATLGLCVNVKTKFTLANFMTNEGKKCNEDRKFSWIRRPLGTVGHKWTSYKSQETPTCPNCLSVLNQFKTGVGDPAIQERLKQLIDEKVCTHMGFFTAACKEAIEYNFDQIINGMKEVDPKEICSLFGMCTSEYIDLPSDKMLPSLSTSQDIPGVCPLCVLLVKKIFELTIGNQTEAAIVLALETVCEHLPSDYDTQCENFVEKYGAKIVSAIIDGTAPDLICGSIGLCASPIHQKVGLPSSSQSLPPRQDHQVQTTATLSSGIDVCLTCKFFVETLYGQLQNNKTEEELKHLIKNACSVLPVGYADRCSELIDRYFDDVIKLIENNYTPEQICQTISLCQSMPVWSLSEQNPCLLGSTYWCRDYSTAKMCNAVNYCSSNGWTTYPPSNQNKLFKSQCELMKLAEICVNSELAKRCNRLNECYEQQVKNFLNLFSISTVSLNNDKINKSPCSVCVVMTTKWLLQWDLFGGPIINRSICAEYKTENELQQCYHVVEKAGVLLIRSRSDRSNVEQICARTINCASVKDGENEQFSETIDKSVNENPDKLSPFALYDFDKIACLWGPTYWCSSKETARKCNATNYCTATYWPEINTNGIDIDNKDNNVINNHVTTTSLPKPTEKTKSEHLLGIKPCTWGPSYWCQSEEIAKKCGNAALEHCKTKVWITMSNSKKSSHKITSKPDNKCTRGPSFWCASFENAKLCGEHAEWHCLNVVWSNIHKFKSDSINP
					

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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	40.4	Very low	42.4	Very low	213 Å²	213	125.6 Å²	125.6	100%	1.049	61%	0.613	S	S	*	*				0	-58.7	0	-75	177.7	170.7	0	0	112.1	H3 W4 T5	M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 3.32Å; M1-W4 PolarHBondContact O-N 3.19Å; M1-T5 PolarHBondContact O-N 3.41Å
2	L	41.4	Very low	41.9	Very low	139 Å²	139	120.6 Å²	120.6	73%	0.728	60%	0.6	S	S	*	*	H	α-helix	trans	-45.5	-39.5	-177.6	-76.9	158.6	0	0	0	116.2	W4 T5 F6	L2-W4 PolarHBondContact O-N 3.29Å; L2-T5 WeakPolarHBondContact CA-OG1 3.26Å; L2-T5 PolarHBondContact O-N 3.42Å; L2-T5 PolarHBondContact O-OG1 3.32Å; L2-F6 PolarHBondContact O-N 3.18Å
3	H	38	Very low	41.4	Very low	158 Å²	158	122 Å²	122	73%	0.731	60%	0.604	S	S	*	*	H	α-helix	trans	-66	-33.5	175.7	-107.6	-68.6	0	0	0	114.4	M1 V7	M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 3.32Å; H3-V7 WeakPolarHBondContact O-CG2 3.49Å; H3-V7 PolarHBondContact O-N 3Å
4	W	43.2	Very low	40.7	Very low	204 Å²	204	122.8 Å²	122.8	77%	0.773	61%	0.61	S	S	*	*	H	α-helix	trans	-76.2	-34.7	176.4	-88.2	84.2	0	0	0	111.8	M1 L2 V7 V8	M1-W4 PolarHBondContact O-N 3.19Å; L2-W4 PolarHBondContact O-N 3.29Å; W4-V7 PolarHBondContact O-N 2.96Å; W4-V8 WeakPolarHBondContact O-CB 3.37Å; W4-V8 VanDerWaalsContact O-CG2 3.29Å; W4-V8 WeakPolarHBondContact O-CG2 3.18Å; W4-V8 PolarHBondContact O-N 3.01Å
5	T	46.2	Very low	40	Very low	73 Å²	73	125.7 Å²	125.7	45%	0.448	62%	0.618	S	S	.	*	H	α-helix	trans	-67.6	-38.7	170.4	39.3	0	0	0	0	111.8	M1 L2 V7 V8 I9	M1-T5 PolarHBondContact O-N 3.41Å; L2-T5 WeakPolarHBondContact CA-OG1 3.26Å; L2-T5 PolarHBondContact O-N 3.42Å; L2-T5 PolarHBondContact O-OG1 3.32Å; T5-V7 PolarHBondContact O-N 3.19Å; T5-V8 PolarHBondContact O-N 2.83Å; T5-I9 WeakPolarHBondContact O-CB 3.18Å; T5-I9 WeakPolarHBondContact O-CD1 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.38Å; T5-I9 PolarHBondContact O-N 2.68Å
6	F	43	Very low	39.2	Very low	122 Å²	122	125.6 Å²	125.6	54%	0.535	63%	0.626	S	S	.	*	H	α-helix	trans	-60.5	-43.8	171.6	-105.9	-94	0	0	0	112.7	L2 I9 F10	L2-F6 PolarHBondContact O-N 3.18Å; F6-I9 PolarHBondContact O-N 3.32Å; F6-F10 HydrophobicContact CD1-CD2 4.09Å; F6-F10 AromaticContact CD1-CE2 3.92Å; F6-F10 HydrophobicContact CD1-CE2 3.92Å; F6-F10 HydrophobicContact CE1-CE2 4.08Å; F6-F10 PolarHBondContact O-N 3.16Å
7	V	46.8	Very low	38.5	Very low	71 Å²	71	123.6 Å²	123.6	43%	0.43	63%	0.627	S	S	.	*	H	α-helix	trans	-66.2	-38.8	176.1	168.7	0	0	0	0	111.7	H3 W4 T5 L11	H3-V7 WeakPolarHBondContact O-CG2 3.49Å; H3-V7 PolarHBondContact O-N 3Å; W4-V7 PolarHBondContact O-N 2.96Å; T5-V7 PolarHBondContact O-N 3.19Å; V7-L11 HydrophobicContact CG1-CD1 3.65Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 VanDerWaalsContact O-CB 3.23Å; V7-L11 WeakPolarHBondContact O-CB 3.31Å; V7-L11 VanDerWaalsContact O-CG 3.23Å; V7-L11 WeakPolarHBondContact O-CG 3.03Å; V7-L11 PolarHBondContact O-N 3.21Å
8	V	47.2	Very low	38.1	Very low	90 Å²	90	126.2 Å²	126.2	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-65.9	-38.2	174.3	168.8	0	0	0	0	111.8	W4 T5 S12	W4-V8 WeakPolarHBondContact O-CB 3.37Å; W4-V8 VanDerWaalsContact O-CG2 3.29Å; W4-V8 WeakPolarHBondContact O-CG2 3.18Å; W4-V8 PolarHBondContact O-N 3.01Å; T5-V8 PolarHBondContact O-N 2.83Å; V8-S12 WeakPolarHBondContact O-CB 3.29Å; V8-S12 PolarHBondContact O-N 3.5Å; V8-S12 PolarHBondContact O-OG 3.32Å; V8-S12 VanDerWaalsContact O-OG 3.11Å
9	I	45.6	Very low	37.9	Very low	80 Å²	80	123.8 Å²	123.8	41%	0.41	64%	0.638	S	S	.	*	H	α-helix	trans	-67.6	-47	176.7	-70.4	162.8	0	0	0	111.1	T5 F6 S12 H13	T5-I9 WeakPolarHBondContact O-CB 3.18Å; T5-I9 WeakPolarHBondContact O-CD1 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.38Å; T5-I9 PolarHBondContact O-N 2.68Å; F6-I9 PolarHBondContact O-N 3.32Å; I9-S12 WeakPolarHBondContact CA-OG 3.4Å; I9-S12 PolarHBondContact O-N 2.83Å; I9-S12 PolarHBondContact O-OG 3.48Å; I9-H13 PolarHBondContact O-CD2 3.19Å; I9-H13 PolarHBondContact O-N 2.04Å
10	F	36.7	Very low	38.2	Very low	137 Å²	137	124.7 Å²	124.7	60%	0.601	65%	0.649	S	S	*	*	H	α-helix	trans	-68.8	-33	177.4	-90.5	-95.9	0	0	0	113	F6 L14	F6-F10 HydrophobicContact CD1-CD2 4.09Å; F6-F10 AromaticContact CD1-CE2 3.92Å; F6-F10 HydrophobicContact CD1-CE2 3.92Å; F6-F10 HydrophobicContact CE1-CE2 4.08Å; F6-F10 PolarHBondContact O-N 3.16Å; F10-L14 PolarHBondContact O-N 3.17Å
11	L	37.6	Very low	38.8	Very low	95 Å²	95	120.4 Å²	120.4	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-75.5	-29.2	172.3	-69.5	174.8	0	0	0	112.8	V7 H13 L14 F15	V7-L11 HydrophobicContact CG1-CD1 3.65Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 VanDerWaalsContact O-CB 3.23Å; V7-L11 WeakPolarHBondContact O-CB 3.31Å; V7-L11 VanDerWaalsContact O-CG 3.23Å; V7-L11 WeakPolarHBondContact O-CG 3.03Å; V7-L11 PolarHBondContact O-N 3.21Å; L11-H13 VanDerWaalsContact C-N 3.35Å; L11-L14 HydrophobicContact CD2-CD1 4.05Å; L11-L14 WeakPolarHBondContact O-CB 3.33Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 PolarHBondContact O-N 3.13Å
12	S	37	Very low	39.5	Very low	65 Å²	65	115 Å²	115	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-70	-31.9	171.2	60.3	0	0	0	0	112.4	V8 I9 L14 F15	V8-S12 WeakPolarHBondContact O-CB 3.29Å; V8-S12 PolarHBondContact O-N 3.5Å; V8-S12 PolarHBondContact O-OG 3.32Å; V8-S12 VanDerWaalsContact O-OG 3.11Å; I9-S12 WeakPolarHBondContact CA-OG 3.4Å; I9-S12 PolarHBondContact O-N 2.83Å; I9-S12 PolarHBondContact O-OG 3.48Å; S12-L14 PolarHBondContact O-N 2.99Å; S12-F15 PolarHBondContact O-N 3.11Å; S12-F15 VanDerWaalsContact O-N 3.1Å
13	H	34.8	Very low	40	Very low	139 Å²	139	115 Å²	115	64%	0.644	59%	0.594	S	S	*	*	H	α-helix	trans	-70.2	-17.3	169.8	-74.6	-61	0	0	0	113.7	I9 L11	I9-H13 PolarHBondContact O-CD2 3.19Å; I9-H13 PolarHBondContact O-N 2.04Å; L11-H13 VanDerWaalsContact C-N 3.35Å
14	L	31.3	Very low	41.1	Very low	133 Å²	133	114 Å²	114	70%	0.696	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.4	168.7	-81.2	159.9	0	0	0	113.4	F10 L11 S12 V16	F10-L14 PolarHBondContact O-N 3.17Å; L11-L14 HydrophobicContact CD2-CD1 4.05Å; L11-L14 WeakPolarHBondContact O-CB 3.33Å; L11-L14 PolarHBondContact O-N 3.28Å; S12-L14 PolarHBondContact O-N 2.99Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 3.39Å
15	F	30.1	Very low	42.4	Very low	166 Å²	166	104.9 Å²	104.9	73%	0.728	56%	0.561	S	S	*	*			trans	-88.7	66.7	163.8	-79.8	-80	0	0	0	111.1	L11 S12 S17	L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 PolarHBondContact O-N 3.13Å; S12-F15 PolarHBondContact O-N 3.11Å; S12-F15 VanDerWaalsContact O-N 3.1Å; F15-S17 VanDerWaalsContact C-N 3.28Å; F15-S17 PolarHBondContact O-N 3.49Å; F15-S17 PolarHBondContact O-OG 3.02Å
16	V	28	Very low	43.8	Very low	124 Å²	124	101.7 Å²	101.7	75%	0.752	54%	0.541	S	S	*	.			trans	-61.6	90	168.9	-178.5	0	0	0	0	109	L14	L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 3.39Å
17	S	26.7	Very low	45	Very low	92 Å²	92	101.1 Å²	101.1	64%	0.643	54%	0.535	S	S	*	.			trans	-105	91	-173.5	37.1	0	0	0	0	110.2	F15	F15-S17 VanDerWaalsContact C-N 3.28Å; F15-S17 PolarHBondContact O-N 3.49Å; F15-S17 PolarHBondContact O-OG 3.02Å
18	H	32.1	Very low	46.4	Very low	171 Å²	171	98.4 Å²	98.4	79%	0.792	52%	0.52	S	S	*	.	S	Bend	trans	74.8	112.4	179.1	-50.4	87	0	0	0	114.4
19	A	33.9	Very low	47.9	Very low	80 Å²	80	94.1 Å²	94.1	66%	0.661	49%	0.494	S	S	*	.			trans	-59.7	146.6	176.4	0	0	0	0	0	111.6	V21	A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 2.86Å
20	T	43.1	Very low	49.2	Very low	142 Å²	142	93.3 Å²	93.3	87%	0.871	49%	0.492	S	S	*	.			trans	-63.5	95.8	157.4	49.1	0	0	0	0	108.2	D22	T20-D22 PolarHBondContact O-N 3.37Å
21	V	50.8	Low	51	Low	34 Å²	34	88.1 Å²	88.1	21%	0.206	47%	0.473	C	S	.	.			trans	-52.4	129.8	171.2	169.8	0	0	0	0	108.8	A19 R23 C26 I37 E40	A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 2.86Å; V21-R23 PolarHBondContact O-N 2.88Å; V21-R23 VanDerWaalsContact O-N 3.08Å; V21-C26 WeakPolarHBondContact CG1-SG 3.23Å; V21-I37 HydrophobicContact CB-CD1 4.41Å; V21-I37 HydrophobicContact CG1-CD1 3.49Å; V21-I37 VanDerWaalsContact CG1-CD1 3.49Å; V21-I37 HydrophobicContact CG1-CG1 4.36Å; V21-I37 HydrophobicContact CG2-CD1 4.33Å; V21-E40 HydrophobicContact CG2-CB 3.69Å; V21-E40 HydrophobicContact CG2-CG 4.28Å
22	D	55	Low	53	Low	101 Å²	101	83.6 Å²	83.6	54%	0.54	45%	0.45	S	S	.	.			trans	-55.7	120.3	174.3	-177.7	-21.5	0	0	0	108.8	T20 L24 V25	T20-D22 PolarHBondContact O-N 3.37Å; D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 VanDerWaalsContact O-N 3.14Å; D22-L24 PolarHBondContact OD1-N 2.95Å; D22-V25 HydrophobicContact CB-CB 4.37Å; D22-V25 HydrophobicContact CB-CG2 3.81Å; D22-V25 WeakPolarHBondContact O-CB 3.43Å; D22-V25 PolarHBondContact O-N 2.75Å
23	R	53.6	Low	55.1	Low	138 Å²	138	82.4 Å²	82.4	52%	0.521	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.7	-175	-67.8	-163.8	166.2	-159.8	-6.2	112.4	V21 D125 L126 F128	V21-R23 PolarHBondContact O-N 2.88Å; V21-R23 VanDerWaalsContact O-N 3.08Å; R23-D125 IonicContact CZ-OD2 3.74Å; R23-D125 IonicContact NH2-OD2 2.68Å; R23-D125 PolarHBondContact NH2-OD2 2.91Å; R23-D125 VanDerWaalsContact NH2-OD2 3.12Å; R23-L126 HydrophobicContact CB-CD2 3.42Å; R23-L126 VanDerWaalsContact CB-CD2 3.42Å; R23-L126 HydrophobicContact CG-CD2 3.52Å; R23-F128 WeakPolarHBondContact O-CE1 3.36Å
24	L	59.4	Low	57.2	Low	136 Å²	136	83.9 Å²	83.9	71%	0.712	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.3	177.9	-123.7	70.7	0	0	0	112.7	D22 R27	D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 VanDerWaalsContact O-N 3.14Å; D22-L24 PolarHBondContact OD1-N 2.95Å; L24-R27 WeakPolarHBondContact O-CB 3.16Å; L24-R27 PolarHBondContact O-N 2.92Å
25	V	70.7	Confident	59.4	Low	14 Å²	14	82.1 Å²	82.1	9%	0.085	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-74.2	-34.9	-173.6	176.2	0	0	0	0	112	D22 R27 S31 A32 H35 I37	D22-V25 HydrophobicContact CB-CB 4.37Å; D22-V25 HydrophobicContact CB-CG2 3.81Å; D22-V25 WeakPolarHBondContact O-CB 3.43Å; D22-V25 PolarHBondContact O-N 2.75Å; V25-R27 PolarHBondContact O-N 2.65Å; V25-R27 VanDerWaalsContact O-N 3.13Å; V25-S31 WeakPolarHBondContact CA-OG 3.43Å; V25-S31 WeakPolarHBondContact O-CB 3.49Å; V25-S31 PolarHBondContact O-OG 2.81Å; V25-A32 PolarHBondContact O-N 2.86Å; V25-H35 HydrophobicContact CG1-CB 3.73Å; V25-H35 WeakPolarHBondContact CG1-ND1 3.39Å; V25-I37 HydrophobicContact CB-CD1 4.06Å; V25-I37 HydrophobicContact CG1-CD1 3.52Å; V25-I37 HydrophobicContact CG1-CG1 3.86Å
26	C	75.2	Confident	61.9	Low	6 Å²	6	80.4 Å²	80.4	4%	0.041	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-73.9	8.7	174.5	-64.4	0	0	0	0	115.1	V21 S28 C41 W45 F128	V21-C26 WeakPolarHBondContact CG1-SG 3.23Å; C26-S28 VanDerWaalsContact C-N 3.27Å; C26-S28 PolarHBondContact O-N 3.03Å; C26-C41 WeakPolarHBondContact CA-SG 3.37Å; C26-C41 HydrophobicContact CB-CB 3.77Å; C26-C41 WeakPolarHBondContact CB-SG 3.4Å; C26-C41 WeakPolarHBondContact SG-CA 3.32Å; C26-C41 WeakPolarHBondContact SG-CB 3.5Å; C26-C41 CovalentContact SG-SG 2.04Å; C26-C41 PolarHBondContact SG-SG 2.85Å; C26-W45 WeakPolarHBondContact O-CZ2 3.43Å; C26-W45 PolarHBondContact O-NE1 3.2Å; C26-W45 VanDerWaalsContact O-NE1 3.13Å; C26-F128 HydrophobicContact CB-CZ 4.29Å
27	R	69.9	Low	64.5	Low	109 Å²	109	76.3 Å²	76.3	41%	0.411	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-60.4	-32.7	176.7	175.5	-179.5	167.9	-163.6	-2.9	113.6	L24 V25 F128	L24-R27 WeakPolarHBondContact O-CB 3.16Å; L24-R27 PolarHBondContact O-N 2.92Å; V25-R27 PolarHBondContact O-N 2.65Å; V25-R27 VanDerWaalsContact O-N 3.13Å; R27-F128 VanDerWaalsContact CA-CE1 3.45Å; R27-F128 HydrophobicContact CB-CD1 3.81Å; R27-F128 HydrophobicContact CB-CE1 4.01Å; R27-F128 HydrophobicContact CG-CD1 4.17Å
28	S	75.6	Confident	67.2	Low	15 Å²	15	72.1 Å²	72.1	11%	0.105	37%	0.371	C	S	.	.			trans	-149.4	156	-179.9	72.2	0	0	0	0	111.4	C26 V30 S31 A32 I113	C26-S28 VanDerWaalsContact C-N 3.27Å; C26-S28 PolarHBondContact O-N 3.03Å; S28-V30 VanDerWaalsContact C-N 3.27Å; S28-V30 PolarHBondContact O-N 2.83Å; S28-S31 WeakPolarHBondContact O-CB 3.26Å; S28-S31 PolarHBondContact O-N 3.38Å; S28-S31 VanDerWaalsContact OG-CB 3.25Å; S28-S31 WeakPolarHBondContact OG-CB 3.23Å; S28-S31 PolarHBondContact OG-N 2.83Å; S28-S31 VanDerWaalsContact OG-N 3.09Å; S28-A32 WeakPolarHBondContact O-CB 3.17Å; S28-A32 PolarHBondContact O-N 2.99Å; S28-I113 WeakPolarHBondContact CA-O 3.49Å; S28-I113 WeakPolarHBondContact CB-O 3.39Å
29	A	78.2	Confident	69.8	Low	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-31.7	177.9	0	0	0	0	0	112.3	S31 Q33 L38 W45 I93 L97 I113	A29-S31 VanDerWaalsContact C-N 3.35Å; A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 PolarHBondContact O-N 3.33Å; A29-L38 HydrophobicContact CB-CD1 4.02Å; A29-W45 HydrophobicContact CB-CH2 4.04Å; A29-I93 HydrophobicContact CB-CG2 3.63Å; A29-L97 HydrophobicContact CB-CD2 4.31Å; A29-I113 HydrophobicContact CB-CG2 3.44Å; A29-I113 VanDerWaalsContact CB-CG2 3.44Å; A29-I113 PolarHBondContact N-O 3.01Å
30	V	73.7	Confident	72.1	Confident	63 Å²	63	68.2 Å²	68.2	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-41.8	173	-176.3	0	0	0	0	110.6	S28 K34 V85	S28-V30 VanDerWaalsContact C-N 3.27Å; S28-V30 PolarHBondContact O-N 2.83Å; V30-K34 WeakPolarHBondContact O-CB 3.19Å; V30-K34 PolarHBondContact O-N 2.99Å; V30-V85 HydrophobicContact CG1-CG2 4.39Å; V30-V85 HydrophobicContact CG2-CG2 4.29Å
31	S	74.7	Confident	74.1	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-48.3	175.7	176.1	0	0	0	0	111.8	V25 S28 A29 Q33 K34 H35	V25-S31 WeakPolarHBondContact CA-OG 3.43Å; V25-S31 WeakPolarHBondContact O-CB 3.49Å; V25-S31 PolarHBondContact O-OG 2.81Å; S28-S31 WeakPolarHBondContact O-CB 3.26Å; S28-S31 PolarHBondContact O-N 3.38Å; S28-S31 VanDerWaalsContact OG-CB 3.25Å; S28-S31 WeakPolarHBondContact OG-CB 3.23Å; S28-S31 PolarHBondContact OG-N 2.83Å; S28-S31 VanDerWaalsContact OG-N 3.09Å; A29-S31 VanDerWaalsContact C-N 3.35Å; S31-Q33 PolarHBondContact O-N 3.37Å; S31-K34 PolarHBondContact O-N 3.23Å; S31-H35 PolarHBondContact O-N 3.15Å; S31-H35 PolarHBondContact O-ND1 3.25Å
32	A	79.8	Confident	75.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-40.9	179.6	0	0	0	0	0	112.6	V25 S28 H35 N36 I37 L38 C41	V25-A32 PolarHBondContact O-N 2.86Å; S28-A32 WeakPolarHBondContact O-CB 3.17Å; S28-A32 PolarHBondContact O-N 2.99Å; A32-H35 PolarHBondContact O-N 2.94Å; A32-N36 PolarHBondContact O-N 3.06Å; A32-I37 PolarHBondContact O-N 3.31Å; A32-L38 HydrophobicContact CB-CB 4.25Å; A32-L38 HydrophobicContact CB-CD1 3.88Å; A32-L38 PolarHBondContact O-N 3.42Å; A32-C41 HydrophobicContact CB-CB 3.94Å; A32-C41 WeakPolarHBondContact CB-SG 3.27Å
33	Q	80.9	Confident	77	Confident	39 Å²	39	58.1 Å²	58.1	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-43.5	173.9	-176.5	62.3	29.6	0	0	111.7	A29 S31 H35 N36 L38 I93	A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 PolarHBondContact O-N 3.33Å; S31-Q33 PolarHBondContact O-N 3.37Å; Q33-H35 PolarHBondContact O-N 3.38Å; Q33-N36 PolarHBondContact O-N 3.37Å; Q33-L38 HydrophobicContact CB-CD2 4.37Å; Q33-L38 VanDerWaalsContact OE1-CD2 3.26Å; Q33-I93 HydrophobicContact CB-CD1 3.87Å; Q33-I93 HydrophobicContact CB-CG1 3.8Å; Q33-I93 HydrophobicContact CG-CD1 3.99Å; Q33-I93 HydrophobicContact CG-CG1 3.84Å
34	K	77.8	Confident	78.1	Confident	170 Å²	170	54.1 Å²	54.1	74%	0.739	28%	0.28	S	S	*	.	H	α-helix	trans	-60	-28.8	179.3	178.3	178.3	174.8	-172.8	0	113.2	V30 S31	V30-K34 WeakPolarHBondContact O-CB 3.19Å; V30-K34 PolarHBondContact O-N 2.99Å; S31-K34 PolarHBondContact O-N 3.23Å
35	H	77.9	Confident	79.1	Confident	96 Å²	96	47.7 Å²	47.7	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.4	176.4	-59.4	89.9	0	0	0	113.1	V25 S31 A32 Q33 I37	V25-H35 HydrophobicContact CG1-CB 3.73Å; V25-H35 WeakPolarHBondContact CG1-ND1 3.39Å; S31-H35 PolarHBondContact O-N 3.15Å; S31-H35 PolarHBondContact O-ND1 3.25Å; A32-H35 PolarHBondContact O-N 2.94Å; Q33-H35 PolarHBondContact O-N 3.38Å; H35-I37 VanDerWaalsContact C-N 3.28Å; H35-I37 HydrophobicContact CB-CD1 4.35Å; H35-I37 HydrophobicContact CB-CG1 4.22Å; H35-I37 PolarHBondContact O-N 3.2Å
36	N	82.6	Confident	79.5	Confident	130 Å²	130	51.4 Å²	51.4	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	28.3	-178.4	-58	-57	0	0	0	115.7	A32 Q33	A32-N36 PolarHBondContact O-N 3.06Å; Q33-N36 PolarHBondContact O-N 3.37Å
37	I	83.4	Confident	79.3	Confident	39 Å²	39	56.6 Å²	56.6	20%	0.2	28%	0.283	C	S	.	.			trans	-120.7	26.5	180	64.1	-175.1	0	0	0	113.4	V21 V25 A32 H35 E40 C41	V21-I37 HydrophobicContact CB-CD1 4.41Å; V21-I37 HydrophobicContact CG1-CD1 3.49Å; V21-I37 VanDerWaalsContact CG1-CD1 3.49Å; V21-I37 HydrophobicContact CG1-CG1 4.36Å; V21-I37 HydrophobicContact CG2-CD1 4.33Å; V25-I37 HydrophobicContact CB-CD1 4.06Å; V25-I37 HydrophobicContact CG1-CD1 3.52Å; V25-I37 HydrophobicContact CG1-CG1 3.86Å; A32-I37 PolarHBondContact O-N 3.31Å; H35-I37 VanDerWaalsContact C-N 3.28Å; H35-I37 HydrophobicContact CB-CD1 4.35Å; H35-I37 HydrophobicContact CB-CG1 4.22Å; H35-I37 PolarHBondContact O-N 3.2Å; I37-E40 VanDerWaalsContact C-OE2 3.27Å; I37-E40 VanDerWaalsContact CA-OE2 3.22Å; I37-E40 WeakPolarHBondContact CA-OE2 3.43Å; I37-E40 PolarHBondContact O-N 3.36Å; I37-C41 PolarHBondContact O-N 2.93Å; I37-C41 PolarHBondContact O-SG 3.05Å; I37-C41 VanDerWaalsContact O-SG 3.33Å
38	L	83.4	Confident	79	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-40.2	176.4	-175.5	63.4	0	0	0	113.7	A29 A32 Q33 E40 C41 I42 W45 I93 A96	A29-L38 HydrophobicContact CB-CD1 4.02Å; A32-L38 HydrophobicContact CB-CB 4.25Å; A32-L38 HydrophobicContact CB-CD1 3.88Å; A32-L38 PolarHBondContact O-N 3.42Å; Q33-L38 HydrophobicContact CB-CD2 4.37Å; Q33-L38 VanDerWaalsContact OE1-CD2 3.26Å; L38-E40 PolarHBondContact O-N 3.45Å; L38-C41 PolarHBondContact O-N 2.65Å; L38-I42 HydrophobicContact CD1-CD1 4Å; L38-I42 HydrophobicContact CD1-CG1 4.28Å; L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 HydrophobicContact CG-CD1 3.8Å; L38-I42 HydrophobicContact CG-CG1 4.5Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CD1 3.45Å; L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.45Å; L38-I42 PolarHBondContact O-N 2.98Å; L38-W45 HydrophobicContact CD1-CH2 3.76Å; L38-W45 HydrophobicContact CD1-CZ3 3.88Å; L38-I93 HydrophobicContact CD2-CB 4.34Å; L38-I93 HydrophobicContact CD2-CG1 3.94Å; L38-A96 HydrophobicContact CD2-CB 3.65Å; L38-A96 HydrophobicContact CG-CB 4.15Å
39	P	85.3	Confident	78.3	Confident	90 Å²	90	58.8 Å²	58.8	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-59.5	-42.3	175.4	-24.4	35.2	0	0	0	113.4	I42 S43	P39-I42 PolarHBondContact O-N 2.97Å; P39-S43 PolarHBondContact O-N 2.04Å
40	E	84.1	Confident	77.6	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-68.4	-45.2	179.9	-64.5	79.2	177.6	0	0	110.8	V21 I37 L38 I42 S43 E44	V21-E40 HydrophobicContact CG2-CB 3.69Å; V21-E40 HydrophobicContact CG2-CG 4.28Å; I37-E40 VanDerWaalsContact C-OE2 3.27Å; I37-E40 VanDerWaalsContact CA-OE2 3.22Å; I37-E40 WeakPolarHBondContact CA-OE2 3.43Å; I37-E40 PolarHBondContact O-N 3.36Å; L38-E40 PolarHBondContact O-N 3.45Å; E40-I42 VanDerWaalsContact C-N 3.31Å; E40-I42 PolarHBondContact O-N 3.33Å; E40-S43 VanDerWaalsContact O-CB 3.24Å; E40-S43 WeakPolarHBondContact O-CB 3.28Å; E40-S43 PolarHBondContact O-N 3.26Å; E40-S43 VanDerWaalsContact O-N 3.09Å; E40-E44 PolarHBondContact O-N 2.81Å; E40-E44 VanDerWaalsContact O-N 3.09Å
41	C	83.5	Confident	76.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-41.5	173.3	-66.5	0	0	0	0	111.8	C26 A32 I37 L38 S43 E44 W45	C26-C41 WeakPolarHBondContact CA-SG 3.37Å; C26-C41 HydrophobicContact CB-CB 3.77Å; C26-C41 WeakPolarHBondContact CB-SG 3.4Å; C26-C41 WeakPolarHBondContact SG-CA 3.32Å; C26-C41 WeakPolarHBondContact SG-CB 3.5Å; C26-C41 CovalentContact SG-SG 2.04Å; C26-C41 PolarHBondContact SG-SG 2.85Å; A32-C41 HydrophobicContact CB-CB 3.94Å; A32-C41 WeakPolarHBondContact CB-SG 3.27Å; I37-C41 PolarHBondContact O-N 2.93Å; I37-C41 PolarHBondContact O-SG 3.05Å; I37-C41 VanDerWaalsContact O-SG 3.33Å; L38-C41 PolarHBondContact O-N 2.65Å; C41-S43 VanDerWaalsContact C-N 3.28Å; C41-S43 PolarHBondContact O-N 2.85Å; C41-E44 PolarHBondContact O-N 3.07Å; C41-W45 HydrophobicContact CB-CD2 4.34Å; C41-W45 HydrophobicContact CB-CH2 4.13Å; C41-W45 HydrophobicContact CB-CZ2 3.77Å; C41-W45 WeakPolarHBondContact O-CB 3.07Å; C41-W45 VanDerWaalsContact O-CD1 3.28Å; C41-W45 VanDerWaalsContact O-CD2 3.28Å; C41-W45 PolarHBondContact O-N 3.39Å
42	I	84.7	Confident	75.7	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-34.2	174.7	-75.6	165.2	0	0	0	112.2	L38 P39 E40 W45 K46 A96 Q99 L100	L38-I42 HydrophobicContact CD1-CD1 4Å; L38-I42 HydrophobicContact CD1-CG1 4.28Å; L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 HydrophobicContact CG-CD1 3.8Å; L38-I42 HydrophobicContact CG-CG1 4.5Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CD1 3.45Å; L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.45Å; L38-I42 PolarHBondContact O-N 2.98Å; P39-I42 PolarHBondContact O-N 2.97Å; E40-I42 VanDerWaalsContact C-N 3.31Å; E40-I42 PolarHBondContact O-N 3.33Å; I42-W45 HydrophobicContact CB-CE3 4.28Å; I42-W45 HydrophobicContact CD1-CZ3 4.43Å; I42-W45 HydrophobicContact CG1-CE3 3.53Å; I42-W45 HydrophobicContact CG1-CZ3 3.53Å; I42-K46 HydrophobicContact CG2-CD 4.12Å; I42-K46 WeakPolarHBondContact O-CB 3.14Å; I42-K46 WeakPolarHBondContact O-CD 3.4Å; I42-K46 VanDerWaalsContact O-CG 3.25Å; I42-K46 WeakPolarHBondContact O-CG 2.99Å; I42-K46 PolarHBondContact O-N 3.42Å; I42-K46 VanDerWaalsContact O-N 3.11Å; I42-A96 HydrophobicContact CD1-CB 3.39Å; I42-A96 WeakPolarHBondContact CD1-O 3.46Å; I42-Q99 HydrophobicContact CG2-CB 4.37Å; I42-L100 HydrophobicContact CG1-CD2 4.48Å; I42-L100 HydrophobicContact CG2-CD2 4.07Å
43	S	82.4	Confident	74.2	Confident	64 Å²	64	69.1 Å²	69.1	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-51.7	173.1	-162.6	0	0	0	0	110.9	P39 E40 C41 W45 K46 K47	P39-S43 PolarHBondContact O-N 2.04Å; E40-S43 VanDerWaalsContact O-CB 3.24Å; E40-S43 WeakPolarHBondContact O-CB 3.28Å; E40-S43 PolarHBondContact O-N 3.26Å; E40-S43 VanDerWaalsContact O-N 3.09Å; C41-S43 VanDerWaalsContact C-N 3.28Å; C41-S43 PolarHBondContact O-N 2.85Å; S43-W45 PolarHBondContact O-N 3.4Å; S43-K46 PolarHBondContact O-N 3.2Å; S43-K47 WeakPolarHBondContact O-CB 3.24Å; S43-K47 PolarHBondContact O-N 3.47Å
44	E	76.4	Confident	72.8	Confident	54 Å²	54	73.9 Å²	73.9	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-38.2	179.3	-63.8	-62.9	102.8	0	0	112.4	E40 C41 K46 K47 Y48	E40-E44 PolarHBondContact O-N 2.81Å; E40-E44 VanDerWaalsContact O-N 3.09Å; C41-E44 PolarHBondContact O-N 3.07Å; E44-K46 VanDerWaalsContact C-N 3.29Å; E44-K46 PolarHBondContact O-N 2.9Å; E44-K47 PolarHBondContact O-N 3.07Å; E44-K47 WeakPolarHBondContact OE1-CD 3.26Å; E44-K47 IonicContact OE1-NZ 3.3Å; E44-K47 PolarHBondContact OE1-NZ 2.87Å; E44-K47 IonicContact OE2-NZ 2.67Å; E44-K47 PolarHBondContact OE2-NZ 3.26Å; E44-Y48 PolarHBondContact O-N 3.39Å; E44-Y48 WeakPolarHBondContact OE2-CE2 3.03Å
45	W	80.2	Confident	71.9	Confident	1 Å²	1	70.4 Å²	70.4	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-28.3	175.6	-63	-17.5	0	0	0	113.8	C26 A29 L38 C41 I42 S43 W50 L97 L100 I113 I123	C26-W45 WeakPolarHBondContact O-CZ2 3.43Å; C26-W45 PolarHBondContact O-NE1 3.2Å; C26-W45 VanDerWaalsContact O-NE1 3.13Å; A29-W45 HydrophobicContact CB-CH2 4.04Å; L38-W45 HydrophobicContact CD1-CH2 3.76Å; L38-W45 HydrophobicContact CD1-CZ3 3.88Å; C41-W45 HydrophobicContact CB-CD2 4.34Å; C41-W45 HydrophobicContact CB-CH2 4.13Å; C41-W45 HydrophobicContact CB-CZ2 3.77Å; C41-W45 WeakPolarHBondContact O-CB 3.07Å; C41-W45 VanDerWaalsContact O-CD1 3.28Å; C41-W45 VanDerWaalsContact O-CD2 3.28Å; C41-W45 PolarHBondContact O-N 3.39Å; I42-W45 HydrophobicContact CB-CE3 4.28Å; I42-W45 HydrophobicContact CD1-CZ3 4.43Å; I42-W45 HydrophobicContact CG1-CE3 3.53Å; I42-W45 HydrophobicContact CG1-CZ3 3.53Å; S43-W45 PolarHBondContact O-N 3.4Å; W45-W50 HydrophobicContact CB-CZ2 4.13Å; W45-W50 AromaticContact CD1-CZ2 3.92Å; W45-W50 AromaticContact CG-CZ2 3.97Å; W45-W50 HydrophobicContact CG-CZ2 3.97Å; W45-W50 PolarHBondContact O-NE1 2.88Å; W45-L97 HydrophobicContact CZ3-CD2 4.22Å; W45-L100 HydrophobicContact CB-CD2 4.41Å; W45-L100 HydrophobicContact CE3-CD1 4.01Å; W45-L100 HydrophobicContact CE3-CD2 4.42Å; W45-L100 HydrophobicContact CZ3-CD1 4.46Å; W45-I113 HydrophobicContact CD2-CD1 3.58Å; W45-I113 HydrophobicContact CD2-CG1 4.22Å; W45-I113 HydrophobicContact CE3-CD1 3.49Å; W45-I113 VanDerWaalsContact CE3-CD1 3.49Å; W45-I113 HydrophobicContact CE3-CG1 4.37Å; W45-I113 HydrophobicContact CG-CD1 4.18Å; W45-I113 HydrophobicContact CH2-CD1 4.15Å; W45-I113 HydrophobicContact CH2-CG1 4.24Å; W45-I113 HydrophobicContact CH2-CG2 3.62Å; W45-I113 HydrophobicContact CZ2-CD1 4.21Å; W45-I113 HydrophobicContact CZ2-CG1 4.05Å; W45-I113 HydrophobicContact CZ2-CG2 4.1Å; W45-I113 HydrophobicContact CZ3-CD1 3.8Å; W45-I113 HydrophobicContact CZ3-CG1 4.39Å; W45-I113 HydrophobicContact CZ3-CG2 3.95Å; W45-I123 HydrophobicContact CG-CD1 4.27Å
46	K	79.6	Confident	71.2	Confident	92 Å²	92	67.1 Å²	67.1	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-80.3	-38.1	173	-76.1	166.3	-179.2	170.6	0	112.9	I42 S43 E44 Q99 L100 I103	I42-K46 HydrophobicContact CG2-CD 4.12Å; I42-K46 WeakPolarHBondContact O-CB 3.14Å; I42-K46 WeakPolarHBondContact O-CD 3.4Å; I42-K46 VanDerWaalsContact O-CG 3.25Å; I42-K46 WeakPolarHBondContact O-CG 2.99Å; I42-K46 PolarHBondContact O-N 3.42Å; I42-K46 VanDerWaalsContact O-N 3.11Å; S43-K46 PolarHBondContact O-N 3.2Å; E44-K46 VanDerWaalsContact C-N 3.29Å; E44-K46 PolarHBondContact O-N 2.9Å; K46-Q99 WeakPolarHBondContact CE-O 3.34Å; K46-L100 HydrophobicContact CG-CD2 4.12Å; K46-I103 HydrophobicContact CB-CD1 4.33Å; K46-I103 HydrophobicContact CG-CD1 3.73Å; K46-I103 HydrophobicContact CG-CG1 4.44Å
47	K	72.1	Confident	70.3	Confident	115 Å²	115	67 Å²	67	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-75	-27.2	-166.1	178.7	-173.9	178.4	-162.2	0	113.6	S43 E44	S43-K47 WeakPolarHBondContact O-CB 3.24Å; S43-K47 PolarHBondContact O-N 3.47Å; E44-K47 PolarHBondContact O-N 3.07Å; E44-K47 WeakPolarHBondContact OE1-CD 3.26Å; E44-K47 IonicContact OE1-NZ 3.3Å; E44-K47 PolarHBondContact OE1-NZ 2.87Å; E44-K47 IonicContact OE2-NZ 2.67Å; E44-K47 PolarHBondContact OE2-NZ 3.26Å
48	Y	63.7	Low	69.5	Low	58 Å²	58	66.8 Å²	66.8	23%	0.227	34%	0.341	C	S	.	.	S	Bend	trans	-120.8	138.3	-177.1	-63.2	-67.5	0	0	0	112.3	E44 W50 I123 K124	E44-Y48 PolarHBondContact O-N 3.39Å; E44-Y48 WeakPolarHBondContact OE2-CE2 3.03Å; Y48-W50 PolarHBondContact O-N 2.04Å; Y48-I123 HydrophobicContact CD2-CG2 4.23Å; Y48-I123 HydrophobicContact CG-CG2 4.46Å; Y48-K124 HydrophobicContact CD1-CB 3.72Å; Y48-K124 HydrophobicContact CD1-CD 4.49Å; Y48-K124 HydrophobicContact CD1-CG 3.96Å; Y48-K124 HydrophobicContact CD2-CB 3.81Å; Y48-K124 HydrophobicContact CE1-CB 4.03Å; Y48-K124 HydrophobicContact CE1-CD 3.94Å; Y48-K124 HydrophobicContact CE1-CG 3.82Å; Y48-K124 HydrophobicContact CE2-CB 4.09Å; Y48-K124 HydrophobicContact CE2-CD 4Å; Y48-K124 HydrophobicContact CE2-CG 4.38Å; Y48-K124 HydrophobicContact CG-CB 3.61Å; Y48-K124 HydrophobicContact CG-CG 4.33Å
49	P	59.9	Low	68.5	Low	111 Å²	111	69.9 Å²	69.9	72%	0.721	36%	0.363	S	S	*	.			trans	-69	131.1	178.9	29	-34.1	0	0	0	110.4	S51	P49-S51 PolarHBondContact O-N 3.25Å
50	W	63.7	Low	67.3	Low	14 Å²	14	70 Å²	70	5%	0.053	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	101.3	176.4	-71.9	59.8	0	0	0	109.7	W45 Y48 V109 N112 I113 T121 Y122 I123	W45-W50 HydrophobicContact CB-CZ2 4.13Å; W45-W50 AromaticContact CD1-CZ2 3.92Å; W45-W50 AromaticContact CG-CZ2 3.97Å; W45-W50 HydrophobicContact CG-CZ2 3.97Å; W45-W50 PolarHBondContact O-NE1 2.88Å; Y48-W50 PolarHBondContact O-N 2.04Å; W50-V109 HydrophobicContact CB-CG2 4.38Å; W50-V109 HydrophobicContact CD2-CB 4.27Å; W50-V109 HydrophobicContact CD2-CG1 4.44Å; W50-V109 HydrophobicContact CD2-CG2 3.62Å; W50-V109 HydrophobicContact CE3-CB 4.48Å; W50-V109 HydrophobicContact CE3-CG2 4.16Å; W50-V109 HydrophobicContact CG-CG2 3.7Å; W50-V109 HydrophobicContact CH2-CG1 4.28Å; W50-V109 HydrophobicContact CZ2-CB 4.34Å; W50-V109 HydrophobicContact CZ2-CG1 3.72Å; W50-V109 HydrophobicContact CZ2-CG2 4.41Å; W50-N112 HydrophobicContact CH2-CB 4.5Å; W50-N112 HydrophobicContact CZ3-CB 3.8Å; W50-I113 HydrophobicContact CH2-CD1 3.89Å; W50-I113 HydrophobicContact CH2-CG1 3.64Å; W50-I113 HydrophobicContact CZ2-CD1 3.83Å; W50-I113 HydrophobicContact CZ2-CG1 4.1Å; W50-T121 HydrophobicContact CE3-CG2 3.91Å; W50-T121 HydrophobicContact CZ3-CG2 4.43Å; W50-T121 WeakPolarHBondContact CZ3-OG1 3.05Å; W50-Y122 WeakPolarHBondContact CA-O 3.41Å; W50-I123 HydrophobicContact CD2-CD1 4.13Å; W50-I123 HydrophobicContact CD2-CG1 4.04Å; W50-I123 VanDerWaalsContact CE2-CD1 3.43Å; W50-I123 HydrophobicContact CE3-CD1 4.49Å; W50-I123 HydrophobicContact CE3-CG1 4.43Å; W50-I123 HydrophobicContact CG-CG1 4.49Å; W50-I123 HydrophobicContact CH2-CD1 3.55Å; W50-I123 HydrophobicContact CH2-CG1 4.32Å; W50-I123 HydrophobicContact CZ2-CD1 3.14Å; W50-I123 HydrophobicContact CZ2-CG1 3.98Å; W50-I123 HydrophobicContact CZ3-CD1 4.22Å
51	S	53.7	Low	66.5	Low	65 Å²	65	66.3 Å²	66.3	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.6	175.7	55	0	0	0	0	111	P49 T121 Y122	P49-S51 PolarHBondContact O-N 3.25Å; S51-T121 WeakPolarHBondContact O-CA 3.47Å; S51-Y122 PolarHBondContact N-O 3.24Å; S51-Y122 PolarHBondContact O-N 3.1Å
52	Q	55.7	Low	65.8	Low	95 Å²	95	68.8 Å²	68.8	44%	0.444	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.6	175.7	-64.6	177.1	-5.6	0	0	109	D108	Q52-D108 PolarHBondContact NE2-OD2 3.47Å
53	F	46.9	Very low	64.7	Low	134 Å²	134	69.2 Å²	69.2	59%	0.588	36%	0.356	S	S	*	.	S	Bend	trans	-94.4	-31.1	175.6	179.8	-101.5	0	0	0	113.1	H120 Y122	F53-H120 HydrophobicContact CB-CB 4.07Å; F53-H120 WeakPolarHBondContact CB-O 3.25Å; F53-H120 HydrophobicContact CD1-CB 4.1Å; F53-H120 PolarHBondContact N-O 3.14Å; F53-Y122 HydrophobicContact CB-CD2 4.02Å; F53-Y122 HydrophobicContact CB-CE2 3.58Å; F53-Y122 HydrophobicContact CD1-CE2 4.35Å; F53-Y122 HydrophobicContact CD2-CE2 4.25Å; F53-Y122 AromaticContact CG-CE2 3.83Å; F53-Y122 HydrophobicContact CG-CE2 3.83Å
54	R	52.2	Low	64.3	Low	139 Å²	139	66.9 Å²	66.9	53%	0.525	34%	0.339	S	S	.	.	S	Bend	trans	-147.7	136	171.7	-170.5	-173	-72.4	171.8	-5.4	108.4	D56 D134	R54-D56 PolarHBondContact O-N 3.13Å; R54-D134 IonicContact NH1-OD2 3.79Å
55	I	59.6	Low	64.1	Low	98 Å²	98	66.7 Å²	66.7	50%	0.503	34%	0.336	S	S	.	.			trans	-78.1	115.6	176.1	-52	177.3	0	0	0	108	N57	I55-N57 WeakPolarHBondContact CG2-OD1 3.14Å; I55-N57 PolarHBondContact O-N 3.46Å
56	D	61.8	Low	63.4	Low	27 Å²	27	70.3 Å²	70.3	14%	0.144	36%	0.355	C	S	.	.			trans	-71.5	123.8	165.7	179.9	15.8	0	0	0	109.3	R54 S58 C61 R65 C117 D118	R54-D56 PolarHBondContact O-N 3.13Å; D56-S58 VanDerWaalsContact CG-OG 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 2.81Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 VanDerWaalsContact OD1-OG 3.12Å; D56-S58 PolarHBondContact OD2-OG 3.37Å; D56-C61 HydrophobicContact CB-CB 4.28Å; D56-C61 WeakPolarHBondContact OD2-CB 3.06Å; D56-R65 PolarHBondContact O-NH1 3.2Å; D56-C117 WeakPolarHBondContact OD2-CA 3.1Å; D56-D118 PolarHBondContact OD2-N 3.41Å
57	N	64.8	Low	62.6	Low	128 Å²	128	66.8 Å²	66.8	68%	0.684	34%	0.34	S	S	*	.			trans	-110.5	16.8	178.1	-68.1	-31.6	0	0	0	111.9	I55	I55-N57 WeakPolarHBondContact CG2-OD1 3.14Å; I55-N57 PolarHBondContact O-N 3.46Å
58	S	65.7	Low	62.5	Low	34 Å²	34	61.3 Å²	61.3	24%	0.238	32%	0.317	C	S	.	.			trans	-53.4	152.9	171.5	66.7	0	0	0	0	111.3	D56 E60 C61 T62	D56-S58 VanDerWaalsContact CG-OG 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 2.81Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 VanDerWaalsContact OD1-OG 3.12Å; D56-S58 PolarHBondContact OD2-OG 3.37Å; S58-E60 PolarHBondContact O-N 3.45Å; S58-C61 PolarHBondContact O-N 3.3Å; S58-C61 WeakPolarHBondContact OG-CB 3.39Å; S58-C61 PolarHBondContact OG-N 3.03Å; S58-C61 VanDerWaalsContact OG-N 3.1Å; S58-T62 VanDerWaalsContact O-CB 3.29Å; S58-T62 WeakPolarHBondContact O-CB 3.23Å; S58-T62 PolarHBondContact O-N 2.67Å; S58-T62 PolarHBondContact O-OG1 2.8Å
59	S	62	Low	62.7	Low	67 Å²	67	60.7 Å²	60.7	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-38.7	180	81.7	0	0	0	0	110.2	T62 N63	S59-T62 PolarHBondContact O-N 2.73Å; S59-N63 VanDerWaalsContact O-CB 3.26Å; S59-N63 WeakPolarHBondContact O-CB 3.44Å; S59-N63 PolarHBondContact O-N 3.36Å; S59-N63 PolarHBondContact O-ND2 2.55Å
60	E	60.7	Low	62.7	Low	94 Å²	94	61.3 Å²	61.3	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-50.7	179	-64.3	88.7	146.5	0	0	110.9	S58 C64 L116 L633	S58-E60 PolarHBondContact O-N 3.45Å; E60-C64 WeakPolarHBondContact O-CB 3.24Å; E60-C64 PolarHBondContact O-N 2.74Å; E60-L116 CarbonylContact C-O 3.57Å; E60-L116 VanDerWaalsContact C-O 3.32Å; E60-L633 HydrophobicContact CB-CD2 4.2Å; E60-L633 HydrophobicContact CG-CD2 4.04Å
61	C	68.4	Low	62.7	Low	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-41	176.6	-174.3	0	0	0	0	112	D56 S58 C64 R65 L116 C117	D56-C61 HydrophobicContact CB-CB 4.28Å; D56-C61 WeakPolarHBondContact OD2-CB 3.06Å; S58-C61 PolarHBondContact O-N 3.3Å; S58-C61 WeakPolarHBondContact OG-CB 3.39Å; S58-C61 PolarHBondContact OG-N 3.03Å; S58-C61 VanDerWaalsContact OG-N 3.1Å; C61-C64 PolarHBondContact O-N 3.48Å; C61-R65 WeakPolarHBondContact O-CB 3.15Å; C61-R65 WeakPolarHBondContact O-CG 3.48Å; C61-R65 PolarHBondContact O-N 3.2Å; C61-R65 PolarHBondContact SG-NH1 2.74Å; C61-R65 VanDerWaalsContact SG-NH1 3.41Å; C61-L116 WeakPolarHBondContact CA-O 3.34Å; C61-L116 PolarHBondContact N-O 3.3Å; C61-C117 WeakPolarHBondContact CA-SG 3.3Å; C61-C117 HydrophobicContact CB-CB 3.75Å; C61-C117 WeakPolarHBondContact CB-SG 3.35Å; C61-C117 WeakPolarHBondContact SG-CB 3.43Å; C61-C117 CovalentContact SG-SG 2.03Å; C61-C117 PolarHBondContact SG-SG 3.02Å
62	T	67.7	Low	63.3	Low	53 Å²	53	58.7 Å²	58.7	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-47.5	179.4	-57.7	0	0	0	0	111.2	S58 S59 C64 R65 L66	S58-T62 VanDerWaalsContact O-CB 3.29Å; S58-T62 WeakPolarHBondContact O-CB 3.23Å; S58-T62 PolarHBondContact O-N 2.67Å; S58-T62 PolarHBondContact O-OG1 2.8Å; S59-T62 PolarHBondContact O-N 2.73Å; T62-C64 VanDerWaalsContact C-N 3.34Å; T62-C64 PolarHBondContact O-N 3.35Å; T62-R65 PolarHBondContact O-N 3.24Å; T62-L66 HydrophobicContact CG2-CD1 4.15Å; T62-L66 WeakPolarHBondContact O-CB 3.4Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3Å; T62-L66 PolarHBondContact O-N 3.22Å
63	N	62.5	Low	63.3	Low	11 Å²	11	59.4 Å²	59.4	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.7	-69.9	-47	0	0	0	111.1	S59 L66 I67 N629 L633	S59-N63 VanDerWaalsContact O-CB 3.26Å; S59-N63 WeakPolarHBondContact O-CB 3.44Å; S59-N63 PolarHBondContact O-N 3.36Å; S59-N63 PolarHBondContact O-ND2 2.55Å; N63-L66 PolarHBondContact O-N 3.31Å; N63-I67 WeakPolarHBondContact O-CB 3.36Å; N63-I67 WeakPolarHBondContact O-CG1 3.47Å; N63-I67 PolarHBondContact O-N 3.45Å; N63-N629 PolarHBondContact ND2-ND2 3.41Å; N63-N629 PolarHBondContact OD1-ND2 3.22Å; N63-N629 VanDerWaalsContact OD1-ND2 3.12Å; N63-L633 HydrophobicContact CB-CD1 3.49Å; N63-L633 VanDerWaalsContact CB-CD1 3.49Å
64	C	72.2	Confident	63.5	Low	14 Å²	14	58.2 Å²	58.2	10%	0.095	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-44.1	175.2	-176.3	0	0	0	0	112.2	E60 C61 T62 L66 I67 S68 C111 L116	E60-C64 WeakPolarHBondContact O-CB 3.24Å; E60-C64 PolarHBondContact O-N 2.74Å; C61-C64 PolarHBondContact O-N 3.48Å; T62-C64 VanDerWaalsContact C-N 3.34Å; T62-C64 PolarHBondContact O-N 3.35Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; C64-I67 PolarHBondContact O-N 3.13Å; C64-S68 WeakPolarHBondContact O-CB 3.37Å; C64-S68 PolarHBondContact O-N 3.32Å; C64-S68 PolarHBondContact O-OG 3.17Å; C64-C111 HydrophobicContact CB-CB 3.86Å; C64-C111 WeakPolarHBondContact CB-SG 3.45Å; C64-C111 WeakPolarHBondContact SG-CA 3.5Å; C64-C111 WeakPolarHBondContact SG-CB 3.4Å; C64-C111 CovalentContact SG-SG 2.03Å; C64-C111 PolarHBondContact SG-SG 3.16Å; C64-L116 HydrophobicContact CB-CB 3.96Å; C64-L116 HydrophobicContact CB-CD1 4.02Å
65	R	72.8	Confident	63.6	Low	51 Å²	51	59.3 Å²	59.3	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-35	175.7	-80.5	177.7	168.3	143.9	0.8	113.5	D56 C61 T62 I67 S68 P69 D108	D56-R65 PolarHBondContact O-NH1 3.2Å; C61-R65 WeakPolarHBondContact O-CB 3.15Å; C61-R65 WeakPolarHBondContact O-CG 3.48Å; C61-R65 PolarHBondContact O-N 3.2Å; C61-R65 PolarHBondContact SG-NH1 2.74Å; C61-R65 VanDerWaalsContact SG-NH1 3.41Å; T62-R65 PolarHBondContact O-N 3.24Å; R65-I67 VanDerWaalsContact C-N 3.33Å; R65-S68 WeakPolarHBondContact CA-OG 3.47Å; R65-S68 PolarHBondContact O-OG 2.73Å; R65-P69 WeakPolarHBondContact O-CD 3.15Å; R65-D108 IonicContact CZ-OD1 2.85Å; R65-D108 IonicContact NE-OD1 2.66Å; R65-D108 PolarHBondContact NE-OD1 3.04Å; R65-D108 IonicContact NH2-OD1 2.62Å; R65-D108 PolarHBondContact NH2-OD1 2.7Å
66	L	65.7	Low	63.3	Low	76 Å²	76	55.3 Å²	55.3	40%	0.398	28%	0.277	S	S	.	.	H	α-helix	trans	-67.1	-33.7	175	-76.7	164.6	0	0	0	112.4	T62 N63 C64 P69	T62-L66 HydrophobicContact CG2-CD1 4.15Å; T62-L66 WeakPolarHBondContact O-CB 3.4Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3Å; T62-L66 PolarHBondContact O-N 3.22Å; N63-L66 PolarHBondContact O-N 3.31Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 2.94Å; L66-P69 WeakPolarHBondContact O-CD 3.26Å
67	I	62.4	Low	62.8	Low	18 Å²	18	57.4 Å²	57.4	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-102.2	-29.6	-169.2	-64.7	172.6	0	0	0	112.3	N63 C64 R65 P69 Y70 V71 F630 F668	N63-I67 WeakPolarHBondContact O-CB 3.36Å; N63-I67 WeakPolarHBondContact O-CG1 3.47Å; N63-I67 PolarHBondContact O-N 3.45Å; C64-I67 PolarHBondContact O-N 3.13Å; R65-I67 VanDerWaalsContact C-N 3.33Å; I67-P69 VanDerWaalsContact C-N 3.33Å; I67-P69 WeakPolarHBondContact O-CD 3.46Å; I67-P69 VanDerWaalsContact O-N 3.16Å; I67-Y70 WeakPolarHBondContact O-CB 3.17Å; I67-Y70 WeakPolarHBondContact O-CD2 3.17Å; I67-Y70 PolarHBondContact O-N 3.1Å; I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CG2 3.05Å; I67-V71 PolarHBondContact O-N 3Å; I67-F630 HydrophobicContact CD1-CB 4.05Å; I67-F630 HydrophobicContact CD1-CD2 3.33Å; I67-F630 HydrophobicContact CD1-CE2 4.08Å; I67-F630 HydrophobicContact CD1-CG 4.01Å; I67-F630 HydrophobicContact CG2-CD2 4.39Å; I67-F630 HydrophobicContact CG2-CE2 4.06Å; I67-F668 HydrophobicContact CD1-CE1 4.28Å
68	S	71.2	Confident	62.2	Low	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-51	-30.9	175.2	48.6	0	0	0	0	116.8	C64 R65 Y70 V71 W72 N107	C64-S68 WeakPolarHBondContact O-CB 3.37Å; C64-S68 PolarHBondContact O-N 3.32Å; C64-S68 PolarHBondContact O-OG 3.17Å; R65-S68 WeakPolarHBondContact CA-OG 3.47Å; R65-S68 PolarHBondContact O-OG 2.73Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; S68-Y70 PolarHBondContact O-N 3.33Å; S68-V71 PolarHBondContact O-N 3.05Å; S68-W72 PolarHBondContact O-NE1 2.91Å; S68-N107 VanDerWaalsContact OG-CB 3.29Å; S68-N107 WeakPolarHBondContact OG-CB 3.28Å
69	P	67.8	Low	61.4	Low	44 Å²	44	54.1 Å²	54.1	29%	0.286	27%	0.269	S	S	.	.	H	α-helix	trans	-55.8	-43.3	171.3	-19.8	28.2	0	0	0	112	R65 L66 I67 N107	R65-P69 WeakPolarHBondContact O-CD 3.15Å; L66-P69 WeakPolarHBondContact O-CD 3.26Å; I67-P69 VanDerWaalsContact C-N 3.33Å; I67-P69 WeakPolarHBondContact O-CD 3.46Å; I67-P69 VanDerWaalsContact O-N 3.16Å; P69-N107 WeakPolarHBondContact CG-ND2 3.35Å
70	Y	60	Low	61.1	Low	124 Å²	124	51.3 Å²	51.3	49%	0.486	25%	0.249	S	C	.	.	H	α-helix	trans	-74.9	-33.4	179.5	-51.3	-83.9	0	0	0	111.6	I67 S68 W72 D73 Y74	I67-Y70 WeakPolarHBondContact O-CB 3.17Å; I67-Y70 WeakPolarHBondContact O-CD2 3.17Å; I67-Y70 PolarHBondContact O-N 3.1Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; S68-Y70 PolarHBondContact O-N 3.33Å; Y70-W72 PolarHBondContact O-N 3.09Å; Y70-D73 PolarHBondContact O-N 3.4Å; Y70-Y74 HydrophobicContact CD1-CE2 4.31Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.47Å; Y70-Y74 PolarHBondContact O-N 3.41Å
71	V	62.9	Low	60.8	Low	9 Å²	9	48.2 Å²	48.2	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-25	177.1	-177.1	0	0	0	0	112.5	I67 S68 I76 L79 L110	I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CG2 3.05Å; I67-V71 PolarHBondContact O-N 3Å; S68-V71 PolarHBondContact O-N 3.05Å; V71-I76 HydrophobicContact CG1-CB 4.21Å; V71-I76 HydrophobicContact CG1-CD1 3.76Å; V71-I76 HydrophobicContact CG1-CG1 3.71Å; V71-I76 HydrophobicContact CG1-CG2 3.6Å; V71-I76 WeakPolarHBondContact O-CD1 3.48Å; V71-I76 VanDerWaalsContact O-CG1 3.24Å; V71-I76 WeakPolarHBondContact O-CG1 3.1Å; V71-L79 HydrophobicContact CG1-CD1 4.44Å; V71-L79 HydrophobicContact CG2-CD1 4.04Å; V71-L79 HydrophobicContact CG2-CD2 4.04Å; V71-L110 HydrophobicContact CB-CD2 3.99Å; V71-L110 HydrophobicContact CG1-CD2 3.73Å
72	W	67.2	Low	60	Low	15 Å²	15	49.5 Å²	49.5	6%	0.057	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.5	175.3	-66.1	109.5	0	0	0	115.1	S68 Y70 L97 L100 K101 R106 N107 L110	S68-W72 PolarHBondContact O-NE1 2.91Å; Y70-W72 PolarHBondContact O-N 3.09Å; W72-L97 WeakPolarHBondContact CZ3-O 3.37Å; W72-L100 HydrophobicContact CH2-CB 3.83Å; W72-L100 HydrophobicContact CZ3-CB 4.36Å; W72-K101 HydrophobicContact CB-CD 4.4Å; W72-K101 HydrophobicContact CB-CG 4.34Å; W72-K101 HydrophobicContact CD2-CB 4.44Å; W72-K101 HydrophobicContact CD2-CG 4.48Å; W72-K101 HydrophobicContact CE3-CB 3.72Å; W72-K101 HydrophobicContact CE3-CG 4.1Å; W72-K101 HydrophobicContact CZ3-CB 4.14Å; W72-K101 WeakPolarHBondContact O-CE 2.97Å; W72-K101 PolarHBondContact O-NZ 3.43Å; W72-R106 HydrophobicContact CZ2-CB 3.87Å; W72-R106 HydrophobicContact CZ2-CG 4.37Å; W72-R106 WeakPolarHBondContact CZ2-O 3.48Å; W72-N107 PolarHBondContact NE1-OD1 3.46Å; W72-L110 HydrophobicContact CZ2-CB 3.91Å; W72-L110 HydrophobicContact CZ2-CD2 4.14Å; W72-L110 HydrophobicContact CZ2-CG 4.44Å
73	D	55.1	Low	59	Low	110 Å²	110	48.3 Å²	48.3	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-18.3	-172.4	-68.5	-51.1	0	0	0	113.6	Y70 K101	Y70-D73 PolarHBondContact O-N 3.4Å; D73-K101 WeakPolarHBondContact OD1-CE 3.21Å; D73-K101 IonicContact OD1-NZ 3.77Å; D73-K101 PolarHBondContact OD1-NZ 2.9Å
74	Y	50.3	Low	58.4	Low	109 Å²	109	49.8 Å²	49.8	43%	0.427	26%	0.259	S	S	.	.	S	Bend	trans	-106.5	155.2	174.4	-66.9	-97	0	0	0	110.7	Y70 I76	Y70-Y74 HydrophobicContact CD1-CE2 4.31Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.47Å; Y70-Y74 PolarHBondContact O-N 3.41Å; Y74-I76 PolarHBondContact O-N 2.72Å; Y74-I76 VanDerWaalsContact O-N 3.15Å
75	K	55.4	Low	57.6	Low	162 Å²	162	49.8 Å²	49.8	70%	0.704	26%	0.258	S	S	*	.			trans	-62.6	118.3	-177.2	-79.4	-167	168.2	-158.2	0	111.3	E77 P78	K75-E77 IonicContact NZ-OE2 2.69Å; K75-E77 PolarHBondContact O-N 3.22Å; K75-P78 VanDerWaalsContact O-CD 3.24Å; K75-P78 WeakPolarHBondContact O-CD 3.38Å
76	I	53.6	Low	57.2	Low	14 Å²	14	53.8 Å²	53.8	7%	0.072	28%	0.277	C	S	.	.			trans	-72.2	-9.9	-179.7	-36.8	-178.3	0	0	0	112.8	V71 Y74 L79 L80 I94	V71-I76 HydrophobicContact CG1-CB 4.21Å; V71-I76 HydrophobicContact CG1-CD1 3.76Å; V71-I76 HydrophobicContact CG1-CG1 3.71Å; V71-I76 HydrophobicContact CG1-CG2 3.6Å; V71-I76 WeakPolarHBondContact O-CD1 3.48Å; V71-I76 VanDerWaalsContact O-CG1 3.24Å; V71-I76 WeakPolarHBondContact O-CG1 3.1Å; Y74-I76 PolarHBondContact O-N 2.72Å; Y74-I76 VanDerWaalsContact O-N 3.15Å; I76-L79 HydrophobicContact CG2-CB 3.99Å; I76-L79 HydrophobicContact CG2-CD1 4.45Å; I76-L79 WeakPolarHBondContact O-CB 3.41Å; I76-L79 PolarHBondContact O-N 3.44Å; I76-L80 HydrophobicContact CG2-CB 4.36Å; I76-L80 HydrophobicContact CG2-CD1 3.37Å; I76-L80 HydrophobicContact CG2-CG 4.49Å; I76-L80 PolarHBondContact O-N 3.42Å; I76-I94 HydrophobicContact CB-CD1 4.36Å; I76-I94 HydrophobicContact CB-CG1 4.1Å; I76-I94 HydrophobicContact CB-CG2 4.01Å; I76-I94 HydrophobicContact CD1-CG2 4.37Å; I76-I94 HydrophobicContact CG1-CG2 4.31Å; I76-I94 HydrophobicContact CG2-CG1 4.38Å
77	E	51.3	Low	57	Low	71 Å²	71	55.1 Å²	55.1	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-44.9	-53.2	-178.5	-106.8	170.8	143.5	0	0	113.7	K75 L79 C81 I94	K75-E77 IonicContact NZ-OE2 2.69Å; K75-E77 PolarHBondContact O-N 3.22Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.97Å; E77-C81 WeakPolarHBondContact O-CB 3.45Å; E77-C81 PolarHBondContact O-N 2.9Å; E77-C81 PolarHBondContact O-SG 3.19Å; E77-I94 HydrophobicContact CB-CD1 4.38Å; E77-I94 HydrophobicContact CG-CD1 4.05Å
78	P	50.8	Low	57.2	Low	67 Å²	67	60 Å²	60	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-67.7	-31.6	178.7	-19.5	34.1	0	0	0	113.7	K75 A82	K75-P78 VanDerWaalsContact O-CD 3.24Å; K75-P78 WeakPolarHBondContact O-CD 3.38Å; P78-A82 WeakPolarHBondContact O-CB 3.43Å; P78-A82 PolarHBondContact O-N 3.02Å
79	L	49.5	Very low	57	Low	26 Å²	26	63.2 Å²	63.2	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-73.7	-46.5	-178.3	-74.4	128.1	0	0	0	112.2	V71 I76 E77 F630 F634	V71-L79 HydrophobicContact CG1-CD1 4.44Å; V71-L79 HydrophobicContact CG2-CD1 4.04Å; V71-L79 HydrophobicContact CG2-CD2 4.04Å; I76-L79 HydrophobicContact CG2-CB 3.99Å; I76-L79 HydrophobicContact CG2-CD1 4.45Å; I76-L79 WeakPolarHBondContact O-CB 3.41Å; I76-L79 PolarHBondContact O-N 3.44Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.97Å; L79-F630 HydrophobicContact CD2-CE2 3.51Å; L79-F630 HydrophobicContact CD2-CZ 3.61Å; L79-F630 HydrophobicContact CG-CZ 4.2Å; L79-F634 HydrophobicContact CD2-CE2 4.16Å; L79-F634 HydrophobicContact CD2-CZ 3.99Å; L79-F634 WeakPolarHBondContact O-CE1 3.4Å
80	L	54.9	Low	57	Low	8 Å²	8	61.1 Å²	61.1	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-81.4	-38.2	-179.8	-111.5	100.4	0	0	0	112.2	I76 A82 T83 C90 I93 I94 L97 L114	I76-L80 HydrophobicContact CG2-CB 4.36Å; I76-L80 HydrophobicContact CG2-CD1 3.37Å; I76-L80 HydrophobicContact CG2-CG 4.49Å; I76-L80 PolarHBondContact O-N 3.42Å; L80-A82 VanDerWaalsContact C-N 3.33Å; L80-A82 PolarHBondContact O-N 3.4Å; L80-T83 WeakPolarHBondContact O-CB 3.29Å; L80-T83 WeakPolarHBondContact O-CG2 3.12Å; L80-T83 PolarHBondContact O-N 2.91Å; L80-T83 PolarHBondContact O-OG1 3Å; L80-C90 VanDerWaalsContact C-SG 3.57Å; L80-I93 HydrophobicContact CD2-CB 3.78Å; L80-I93 HydrophobicContact CD2-CG2 3.34Å; L80-I94 HydrophobicContact CB-CD1 3.91Å; L80-I94 HydrophobicContact CB-CG1 3.81Å; L80-I94 HydrophobicContact CD1-CG1 4.27Å; L80-I94 HydrophobicContact CD2-CG1 4.07Å; L80-I94 HydrophobicContact CG-CG1 4.27Å; L80-L97 HydrophobicContact CD1-CD1 4.01Å; L80-L97 HydrophobicContact CD2-CD1 4.2Å; L80-L114 HydrophobicContact CD1-CD1 4.37Å; L80-L114 HydrophobicContact CD1-CD2 3.99Å; L80-L114 HydrophobicContact CD2-CD2 4.44Å; L80-L114 HydrophobicContact CG-CD2 4.17Å
81	C	56.1	Low	57.4	Low	29 Å²	29	59.1 Å²	59.1	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-78.2	-20.3	-174.8	-51.5	0	0	0	0	112.3	E77 T83 G84 C90	E77-C81 WeakPolarHBondContact O-CB 3.45Å; E77-C81 PolarHBondContact O-N 2.9Å; E77-C81 PolarHBondContact O-SG 3.19Å; C81-T83 PolarHBondContact O-N 2.71Å; C81-G84 PolarHBondContact O-N 3.29Å; C81-C90 WeakPolarHBondContact CA-SG 3.4Å; C81-C90 HydrophobicContact CB-CB 3.98Å; C81-C90 WeakPolarHBondContact CB-SG 3.38Å; C81-C90 PolarHBondContact N-SG 3.44Å; C81-C90 WeakPolarHBondContact SG-CB 3.06Å; C81-C90 CovalentContact SG-SG 2.04Å; C81-C90 PolarHBondContact SG-SG 2.62Å
82	A	50.7	Low	57.8	Low	28 Å²	28	62.1 Å²	62.1	23%	0.231	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.5	168.1	0	0	0	0	0	113.7	P78 L80 G84 F634 I636	P78-A82 WeakPolarHBondContact O-CB 3.43Å; P78-A82 PolarHBondContact O-N 3.02Å; L80-A82 VanDerWaalsContact C-N 3.33Å; L80-A82 PolarHBondContact O-N 3.4Å; A82-G84 VanDerWaalsContact C-N 3.26Å; A82-G84 PolarHBondContact O-N 2.95Å; A82-F634 HydrophobicContact CB-CB 4.14Å; A82-F634 HydrophobicContact CB-CD1 4.04Å; A82-F634 HydrophobicContact CB-CG 4.44Å; A82-I636 HydrophobicContact CB-CD1 4.35Å
83	T	46.5	Very low	58.2	Low	28 Å²	28	61.5 Å²	61.5	17%	0.172	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.1	175.4	69.1	0	0	0	0	114.6	L80 C81 V85 L216 F219	L80-T83 WeakPolarHBondContact O-CB 3.29Å; L80-T83 WeakPolarHBondContact O-CG2 3.12Å; L80-T83 PolarHBondContact O-N 2.91Å; L80-T83 PolarHBondContact O-OG1 3Å; C81-T83 PolarHBondContact O-N 2.71Å; T83-V85 PolarHBondContact O-N 2.04Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.47Å; T83-L216 HydrophobicContact CG2-CD1 3.96Å; T83-F219 WeakPolarHBondContact O-CD1 3.25Å
84	G	49.5	Very low	58.9	Low	42 Å²	42	57.5 Å²	57.5	43%	0.433	29%	0.294	S	S	.	.	S	Bend	trans	78.7	-4.3	-179.6	0	0	0	0	0	114.6	C81 A82 K86 F219	C81-G84 PolarHBondContact O-N 3.29Å; A82-G84 VanDerWaalsContact C-N 3.26Å; A82-G84 PolarHBondContact O-N 2.95Å; G84-K86 PolarHBondContact O-N 2.77Å; G84-F219 VanDerWaalsContact C-CE1 3.43Å; G84-F219 WeakPolarHBondContact O-CE1 3.44Å
85	V	55.6	Low	60.1	Low	13 Å²	13	57.8 Å²	57.8	8%	0.079	30%	0.303	C	S	.	.			trans	-55.6	131.2	162.4	175.5	0	0	0	0	108.4	V30 T83 E89 C90 I93	V30-V85 HydrophobicContact CG1-CG2 4.39Å; V30-V85 HydrophobicContact CG2-CG2 4.29Å; T83-V85 PolarHBondContact O-N 2.04Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.47Å; V85-E89 HydrophobicContact CG1-CB 3.44Å; V85-E89 VanDerWaalsContact CG1-CB 3.44Å; V85-C90 HydrophobicContact CG1-CB 4.21Å; V85-I93 HydrophobicContact CG1-CD1 4.23Å
86	K	64	Low	61.1	Low	135 Å²	135	50.8 Å²	50.8	59%	0.587	28%	0.276	S	S	*	.			trans	-54.7	142.4	-175.9	-52.6	-171.9	-165.5	102.8	0	110.3	G84 E88 E89 C90	G84-K86 PolarHBondContact O-N 2.77Å; K86-E88 PolarHBondContact O-N 3.14Å; K86-E89 HydrophobicContact CB-CB 4.43Å; K86-E89 HydrophobicContact CB-CG 4.44Å; K86-E89 IonicContact NZ-OE1 2.65Å; K86-E89 PolarHBondContact NZ-OE1 3.34Å; K86-E89 IonicContact NZ-OE2 3.94Å; K86-E89 CarbonylContact O-C 3.47Å; K86-E89 WeakPolarHBondContact O-CA 3.32Å; K86-E89 WeakPolarHBondContact O-CB 3.17Å; K86-E89 PolarHBondContact O-N 3.48Å; K86-C90 WeakPolarHBondContact O-CB 3.46Å; K86-C90 PolarHBondContact O-N 3.36Å
87	D	61.6	Low	62.2	Low	105 Å²	105	50.1 Å²	50.1	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-43.8	-39.7	-178.9	-65.8	1.6	0	0	0	114.1	C90 K91	D87-C90 WeakPolarHBondContact O-CB 3.32Å; D87-K91 WeakPolarHBondContact O-CB 3.05Å; D87-K91 WeakPolarHBondContact O-CD 3.41Å; D87-K91 WeakPolarHBondContact O-CG 3.27Å; D87-K91 PolarHBondContact O-N 2.85Å
88	E	68	Low	63.4	Low	119 Å²	119	49.6 Å²	49.6	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-75.2	-41.1	-180	-153.4	61.6	-163.1	0	0	113.2	K86 C90 K91 N92	K86-E88 PolarHBondContact O-N 3.14Å; E88-C90 VanDerWaalsContact C-N 3.29Å; E88-K91 IonicContact OE2-NZ 2.68Å; E88-N92 WeakPolarHBondContact O-CB 3.49Å; E88-N92 PolarHBondContact O-N 3.08Å; E88-N92 PolarHBondContact O-ND2 3.23Å
89	E	66.6	Low	64.8	Low	69 Å²	69	51.3 Å²	51.3	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-38.8	171.4	-71.7	162.7	-161.5	0	0	110.4	V85 K86 N92 I93	V85-E89 HydrophobicContact CG1-CB 3.44Å; V85-E89 VanDerWaalsContact CG1-CB 3.44Å; K86-E89 HydrophobicContact CB-CB 4.43Å; K86-E89 HydrophobicContact CB-CG 4.44Å; K86-E89 IonicContact NZ-OE1 2.65Å; K86-E89 PolarHBondContact NZ-OE1 3.34Å; K86-E89 IonicContact NZ-OE2 3.94Å; K86-E89 CarbonylContact O-C 3.47Å; K86-E89 WeakPolarHBondContact O-CA 3.32Å; K86-E89 WeakPolarHBondContact O-CB 3.17Å; K86-E89 PolarHBondContact O-N 3.48Å; E89-N92 PolarHBondContact O-N 3.26Å; E89-I93 VanDerWaalsContact O-CG1 3.29Å; E89-I93 WeakPolarHBondContact O-CG1 3.05Å; E89-I93 PolarHBondContact O-N 3.14Å
90	C	66.7	Low	66.2	Low	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-52.3	176.3	174.7	0	0	0	0	111.6	L80 C81 V85 K86 D87 E88 N92 I93 I94	L80-C90 VanDerWaalsContact C-SG 3.57Å; C81-C90 WeakPolarHBondContact CA-SG 3.4Å; C81-C90 HydrophobicContact CB-CB 3.98Å; C81-C90 WeakPolarHBondContact CB-SG 3.38Å; C81-C90 PolarHBondContact N-SG 3.44Å; C81-C90 WeakPolarHBondContact SG-CB 3.06Å; C81-C90 CovalentContact SG-SG 2.04Å; C81-C90 PolarHBondContact SG-SG 2.62Å; V85-C90 HydrophobicContact CG1-CB 4.21Å; K86-C90 WeakPolarHBondContact O-CB 3.46Å; K86-C90 PolarHBondContact O-N 3.36Å; D87-C90 WeakPolarHBondContact O-CB 3.32Å; E88-C90 VanDerWaalsContact C-N 3.29Å; C90-N92 VanDerWaalsContact C-N 3.31Å; C90-N92 PolarHBondContact O-N 2.99Å; C90-I93 PolarHBondContact O-N 2.82Å; C90-I94 VanDerWaalsContact O-CG1 3.28Å; C90-I94 WeakPolarHBondContact O-CG1 3.34Å; C90-I94 PolarHBondContact O-N 3.12Å; C90-I94 VanDerWaalsContact SG-CD1 3.5Å
91	K	69.4	Low	67.2	Low	83 Å²	83	52.3 Å²	52.3	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-41.8	176.3	-74.6	163.1	-166.2	164.1	0	112	D87 E88 I94 N95	D87-K91 WeakPolarHBondContact O-CB 3.05Å; D87-K91 WeakPolarHBondContact O-CD 3.41Å; D87-K91 WeakPolarHBondContact O-CG 3.27Å; D87-K91 PolarHBondContact O-N 2.85Å; E88-K91 IonicContact OE2-NZ 2.68Å; K91-I94 PolarHBondContact O-N 2.93Å; K91-N95 VanDerWaalsContact O-CB 3.26Å; K91-N95 WeakPolarHBondContact O-CB 3.26Å; K91-N95 PolarHBondContact O-N 3.26Å
92	N	71.9	Confident	68.3	Low	72 Å²	72	60.6 Å²	60.6	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-46.6	175.5	-79.9	-56	0	0	0	111.5	E88 E89 C90 N95 A96	E88-N92 WeakPolarHBondContact O-CB 3.49Å; E88-N92 PolarHBondContact O-N 3.08Å; E88-N92 PolarHBondContact O-ND2 3.23Å; E89-N92 PolarHBondContact O-N 3.26Å; C90-N92 VanDerWaalsContact C-N 3.31Å; C90-N92 PolarHBondContact O-N 2.99Å; N92-N95 PolarHBondContact O-N 3.27Å; N92-A96 VanDerWaalsContact O-CB 3.25Å; N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 2.59Å
93	I	73.8	Confident	69.5	Low	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-44.8	175.5	-63.6	163.7	0	0	0	111.3	A29 Q33 L38 L80 V85 E89 C90 N95 A96 L97	A29-I93 HydrophobicContact CB-CG2 3.63Å; Q33-I93 HydrophobicContact CB-CD1 3.87Å; Q33-I93 HydrophobicContact CB-CG1 3.8Å; Q33-I93 HydrophobicContact CG-CD1 3.99Å; Q33-I93 HydrophobicContact CG-CG1 3.84Å; L38-I93 HydrophobicContact CD2-CB 4.34Å; L38-I93 HydrophobicContact CD2-CG1 3.94Å; L80-I93 HydrophobicContact CD2-CB 3.78Å; L80-I93 HydrophobicContact CD2-CG2 3.34Å; V85-I93 HydrophobicContact CG1-CD1 4.23Å; E89-I93 VanDerWaalsContact O-CG1 3.29Å; E89-I93 WeakPolarHBondContact O-CG1 3.05Å; E89-I93 PolarHBondContact O-N 3.14Å; C90-I93 PolarHBondContact O-N 2.82Å; I93-N95 PolarHBondContact O-N 3.06Å; I93-A96 PolarHBondContact O-N 3.13Å; I93-L97 HydrophobicContact CG2-CD1 3.62Å; I93-L97 HydrophobicContact CG2-CG 3.84Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.42Å; I93-L97 PolarHBondContact O-N 3.37Å
94	I	71.5	Confident	70.6	Confident	26 Å²	26	67.5 Å²	67.5	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-47.9	179.3	-68.4	163.6	0	0	0	111.4	I76 E77 L80 C90 K91 A96 L97 S98	I76-I94 HydrophobicContact CB-CD1 4.36Å; I76-I94 HydrophobicContact CB-CG1 4.1Å; I76-I94 HydrophobicContact CB-CG2 4.01Å; I76-I94 HydrophobicContact CD1-CG2 4.37Å; I76-I94 HydrophobicContact CG1-CG2 4.31Å; I76-I94 HydrophobicContact CG2-CG1 4.38Å; E77-I94 HydrophobicContact CB-CD1 4.38Å; E77-I94 HydrophobicContact CG-CD1 4.05Å; L80-I94 HydrophobicContact CB-CD1 3.91Å; L80-I94 HydrophobicContact CB-CG1 3.81Å; L80-I94 HydrophobicContact CD1-CG1 4.27Å; L80-I94 HydrophobicContact CD2-CG1 4.07Å; L80-I94 HydrophobicContact CG-CG1 4.27Å; C90-I94 VanDerWaalsContact O-CG1 3.28Å; C90-I94 WeakPolarHBondContact O-CG1 3.34Å; C90-I94 PolarHBondContact O-N 3.12Å; C90-I94 VanDerWaalsContact SG-CD1 3.5Å; K91-I94 PolarHBondContact O-N 2.93Å; I94-A96 VanDerWaalsContact C-N 3.29Å; I94-A96 PolarHBondContact O-N 3.12Å; I94-L97 PolarHBondContact O-N 3.04Å; I94-S98 PolarHBondContact O-N 3.4Å
95	N	74.3	Confident	71.7	Confident	114 Å²	114	68.7 Å²	68.7	61%	0.61	33%	0.33	S	S	*	.	H	α-helix	trans	-60.7	-41.3	178.7	-172.6	28.4	0	0	0	110.9	K91 N92 I93 S98	K91-N95 VanDerWaalsContact O-CB 3.26Å; K91-N95 WeakPolarHBondContact O-CB 3.26Å; K91-N95 PolarHBondContact O-N 3.26Å; N92-N95 PolarHBondContact O-N 3.27Å; I93-N95 PolarHBondContact O-N 3.06Å; N95-S98 WeakPolarHBondContact O-CB 3.46Å; N95-S98 PolarHBondContact O-OG 2.89Å
96	A	75.9	Confident	72.8	Confident	16 Å²	16	72.2 Å²	72.2	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-44.5	177.7	0	0	0	0	0	112.5	L38 I42 N92 I93 I94 S98 Q99	L38-A96 HydrophobicContact CD2-CB 3.65Å; L38-A96 HydrophobicContact CG-CB 4.15Å; I42-A96 HydrophobicContact CD1-CB 3.39Å; I42-A96 WeakPolarHBondContact CD1-O 3.46Å; N92-A96 VanDerWaalsContact O-CB 3.25Å; N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 2.59Å; I93-A96 PolarHBondContact O-N 3.13Å; I94-A96 VanDerWaalsContact C-N 3.29Å; I94-A96 PolarHBondContact O-N 3.12Å; A96-S98 PolarHBondContact O-N 3.38Å; A96-Q99 VanDerWaalsContact O-CB 3.32Å; A96-Q99 WeakPolarHBondContact O-CB 3.22Å; A96-Q99 VanDerWaalsContact O-CG 3.28Å; A96-Q99 WeakPolarHBondContact O-CG 3.34Å; A96-Q99 PolarHBondContact O-N 3.31Å
97	L	77.3	Confident	73.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-29.1	175.7	-73.3	178.7	0	0	0	112.7	A29 W45 W72 L80 I93 I94 Q99 L100 L110 I113	A29-L97 HydrophobicContact CB-CD2 4.31Å; W45-L97 HydrophobicContact CZ3-CD2 4.22Å; W72-L97 WeakPolarHBondContact CZ3-O 3.37Å; L80-L97 HydrophobicContact CD1-CD1 4.01Å; L80-L97 HydrophobicContact CD2-CD1 4.2Å; I93-L97 HydrophobicContact CG2-CD1 3.62Å; I93-L97 HydrophobicContact CG2-CG 3.84Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.42Å; I93-L97 PolarHBondContact O-N 3.37Å; I94-L97 PolarHBondContact O-N 3.04Å; L97-Q99 PolarHBondContact O-N 2.92Å; L97-L100 HydrophobicContact CD2-CD1 3.62Å; L97-L100 VanDerWaalsContact O-CB 3.31Å; L97-L100 WeakPolarHBondContact O-CB 3.27Å; L97-L100 WeakPolarHBondContact O-CG 3.49Å; L97-L100 PolarHBondContact O-N 3.28Å; L97-L110 HydrophobicContact CD1-CD1 4.1Å; L97-I113 HydrophobicContact CD2-CG2 3.98Å
98	S	77.3	Confident	74	Confident	59 Å²	59	63.5 Å²	63.5	41%	0.413	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-53.8	-28.6	176	81.3	0	0	0	0	113	I94 N95 A96 L100 K101	I94-S98 PolarHBondContact O-N 3.4Å; N95-S98 WeakPolarHBondContact O-CB 3.46Å; N95-S98 PolarHBondContact O-OG 2.89Å; A96-S98 PolarHBondContact O-N 3.38Å; S98-L100 PolarHBondContact O-N 2.88Å; S98-K101 VanDerWaalsContact O-CB 3.25Å; S98-K101 WeakPolarHBondContact O-CB 3.14Å; S98-K101 PolarHBondContact O-N 2.87Å
99	Q	79.9	Confident	74.5	Confident	104 Å²	104	57.8 Å²	57.8	49%	0.486	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.2	-11.6	177.3	-53	-178.6	28.7	0	0	113.9	I42 K46 A96 L97	I42-Q99 HydrophobicContact CG2-CB 4.37Å; K46-Q99 WeakPolarHBondContact CE-O 3.34Å; A96-Q99 VanDerWaalsContact O-CB 3.32Å; A96-Q99 WeakPolarHBondContact O-CB 3.22Å; A96-Q99 VanDerWaalsContact O-CG 3.28Å; A96-Q99 WeakPolarHBondContact O-CG 3.34Å; A96-Q99 PolarHBondContact O-N 3.31Å; L97-Q99 PolarHBondContact O-N 2.92Å
100	L	78.9	Confident	75.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.7	177.7	-50.6	180	0	0	0	112.7	I42 W45 K46 W72 L97 S98 Y102 I103 V109 I113	I42-L100 HydrophobicContact CG1-CD2 4.48Å; I42-L100 HydrophobicContact CG2-CD2 4.07Å; W45-L100 HydrophobicContact CB-CD2 4.41Å; W45-L100 HydrophobicContact CE3-CD1 4.01Å; W45-L100 HydrophobicContact CE3-CD2 4.42Å; W45-L100 HydrophobicContact CZ3-CD1 4.46Å; K46-L100 HydrophobicContact CG-CD2 4.12Å; W72-L100 HydrophobicContact CH2-CB 3.83Å; W72-L100 HydrophobicContact CZ3-CB 4.36Å; L97-L100 HydrophobicContact CD2-CD1 3.62Å; L97-L100 VanDerWaalsContact O-CB 3.31Å; L97-L100 WeakPolarHBondContact O-CB 3.27Å; L97-L100 WeakPolarHBondContact O-CG 3.49Å; L97-L100 PolarHBondContact O-N 3.28Å; S98-L100 PolarHBondContact O-N 2.88Å; L100-Y102 PolarHBondContact O-N 3.16Å; L100-I103 HydrophobicContact CB-CD1 3.78Å; L100-I103 HydrophobicContact CD2-CD1 3.47Å; L100-I103 VanDerWaalsContact CD2-CD1 3.47Å; L100-I103 HydrophobicContact CG-CD1 4.19Å; L100-I103 WeakPolarHBondContact O-CG1 3.31Å; L100-I103 PolarHBondContact O-N 3.26Å; L100-I103 VanDerWaalsContact O-N 3.07Å; L100-V109 HydrophobicContact CD1-CG1 4.02Å; L100-I113 HydrophobicContact CD1-CD1 3.81Å
101	K	76.3	Confident	75.7	Confident	55 Å²	55	54.6 Å²	54.6	24%	0.239	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.6	-172.4	179.6	164.7	-179.1	162.8	0	115.4	W72 D73 S98 R106	W72-K101 HydrophobicContact CB-CD 4.4Å; W72-K101 HydrophobicContact CB-CG 4.34Å; W72-K101 HydrophobicContact CD2-CB 4.44Å; W72-K101 HydrophobicContact CD2-CG 4.48Å; W72-K101 HydrophobicContact CE3-CB 3.72Å; W72-K101 HydrophobicContact CE3-CG 4.1Å; W72-K101 HydrophobicContact CZ3-CB 4.14Å; W72-K101 WeakPolarHBondContact O-CE 2.97Å; W72-K101 PolarHBondContact O-NZ 3.43Å; D73-K101 WeakPolarHBondContact OD1-CE 3.21Å; D73-K101 IonicContact OD1-NZ 3.77Å; D73-K101 PolarHBondContact OD1-NZ 2.9Å; S98-K101 VanDerWaalsContact O-CB 3.25Å; S98-K101 WeakPolarHBondContact O-CB 3.14Å; S98-K101 PolarHBondContact O-N 2.87Å; K101-R106 WeakPolarHBondContact O-CD 3.36Å
102	Y	77.9	Confident	76	Confident	203 Å²	203	51.3 Å²	51.3	80%	0.796	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	5.8	-177	-55.9	-70.8	0	0	0	114.3	L100	L100-Y102 PolarHBondContact O-N 3.16Å
103	I	76.3	Confident	76.3	Confident	34 Å²	34	48 Å²	48	17%	0.174	23%	0.228	C	C	.	.	S	Bend	trans	-77.3	144.3	179.7	-52.3	172.7	0	0	0	110.4	K46 L100 R106	K46-I103 HydrophobicContact CB-CD1 4.33Å; K46-I103 HydrophobicContact CG-CD1 3.73Å; K46-I103 HydrophobicContact CG-CG1 4.44Å; L100-I103 HydrophobicContact CB-CD1 3.78Å; L100-I103 HydrophobicContact CD2-CD1 3.47Å; L100-I103 VanDerWaalsContact CD2-CD1 3.47Å; L100-I103 HydrophobicContact CG-CD1 4.19Å; L100-I103 WeakPolarHBondContact O-CG1 3.31Å; L100-I103 PolarHBondContact O-N 3.26Å; L100-I103 VanDerWaalsContact O-N 3.07Å; I103-R106 WeakPolarHBondContact O-CB 3.16Å; I103-R106 PolarHBondContact O-N 3.03Å
104	K	70.6	Confident	76.4	Confident	167 Å²	167	49.6 Å²	49.6	73%	0.726	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	139	168.9	-171.6	173.3	-179	179.2	0	109.7	R106	K104-R106 PolarHBondContact O-N 3.29Å
105	N	72.3	Confident	76.5	Confident	66 Å²	66	51.9 Å²	51.9	35%	0.353	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	22.1	-175.9	-53.3	-6.7	0	0	0	115	N107 D108 V109	N105-N107 PolarHBondContact O-N 2.85Å; N105-D108 HydrophobicContact CB-CB 4.44Å; N105-D108 WeakPolarHBondContact O-CB 3.43Å; N105-D108 PolarHBondContact O-N 3.35Å; N105-V109 WeakPolarHBondContact O-CG2 3.39Å; N105-V109 PolarHBondContact O-N 3.07Å; N105-V109 VanDerWaalsContact O-N 3.11Å
106	R	77.6	Confident	76.3	Confident	88 Å²	88	48.4 Å²	48.4	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-43.6	-29.6	-179.9	63.9	179.3	-162.3	-96.3	2.3	116.2	W72 K101 I103 K104 V109 L110	W72-R106 HydrophobicContact CZ2-CB 3.87Å; W72-R106 HydrophobicContact CZ2-CG 4.37Å; W72-R106 WeakPolarHBondContact CZ2-O 3.48Å; K101-R106 WeakPolarHBondContact O-CD 3.36Å; I103-R106 WeakPolarHBondContact O-CB 3.16Å; I103-R106 PolarHBondContact O-N 3.03Å; K104-R106 PolarHBondContact O-N 3.29Å; R106-V109 WeakPolarHBondContact O-CB 3.36Å; R106-L110 WeakPolarHBondContact O-CB 3.3Å; R106-L110 PolarHBondContact O-N 2.79Å
107	N	77.5	Confident	76	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.203	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-45.2	177.5	-69.4	1.4	0	0	0	112.1	S68 P69 W72 N105 L110 C111	S68-N107 VanDerWaalsContact OG-CB 3.29Å; S68-N107 WeakPolarHBondContact OG-CB 3.28Å; P69-N107 WeakPolarHBondContact CG-ND2 3.35Å; W72-N107 PolarHBondContact NE1-OD1 3.46Å; N105-N107 PolarHBondContact O-N 2.85Å; N107-L110 PolarHBondContact O-N 3.41Å; N107-C111 PolarHBondContact O-N 2.64Å; N107-C111 VanDerWaalsContact O-N 3.09Å; N107-C111 PolarHBondContact O-SG 3.3Å
108	D	74.4	Confident	75.3	Confident	18 Å²	18	52.4 Å²	52.4	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-44.9	171.2	-65.5	-55.8	0	0	0	110.7	Q52 R65 N105 L110 C111 N112	Q52-D108 PolarHBondContact NE2-OD2 3.47Å; R65-D108 IonicContact CZ-OD1 2.85Å; R65-D108 IonicContact NE-OD1 2.66Å; R65-D108 PolarHBondContact NE-OD1 3.04Å; R65-D108 IonicContact NH2-OD1 2.62Å; R65-D108 PolarHBondContact NH2-OD1 2.7Å; N105-D108 HydrophobicContact CB-CB 4.44Å; N105-D108 WeakPolarHBondContact O-CB 3.43Å; N105-D108 PolarHBondContact O-N 3.35Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.08Å; D108-C111 PolarHBondContact O-N 3.38Å; D108-N112 PolarHBondContact O-N 2.94Å; D108-N112 PolarHBondContact O-ND2 3.19Å
109	V	77.9	Confident	74.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-51.1	-54.1	177	174.4	0	0	0	0	110	W50 L100 N105 R106 I113	W50-V109 HydrophobicContact CB-CG2 4.38Å; W50-V109 HydrophobicContact CD2-CB 4.27Å; W50-V109 HydrophobicContact CD2-CG1 4.44Å; W50-V109 HydrophobicContact CD2-CG2 3.62Å; W50-V109 HydrophobicContact CE3-CB 4.48Å; W50-V109 HydrophobicContact CE3-CG2 4.16Å; W50-V109 HydrophobicContact CG-CG2 3.7Å; W50-V109 HydrophobicContact CH2-CG1 4.28Å; W50-V109 HydrophobicContact CZ2-CB 4.34Å; W50-V109 HydrophobicContact CZ2-CG1 3.72Å; W50-V109 HydrophobicContact CZ2-CG2 4.41Å; L100-V109 HydrophobicContact CD1-CG1 4.02Å; N105-V109 WeakPolarHBondContact O-CG2 3.39Å; N105-V109 PolarHBondContact O-N 3.07Å; N105-V109 VanDerWaalsContact O-N 3.11Å; R106-V109 WeakPolarHBondContact O-CB 3.36Å; V109-I113 HydrophobicContact CG1-CD1 3.51Å; V109-I113 WeakPolarHBondContact O-CB 3.31Å; V109-I113 WeakPolarHBondContact O-CD1 3.38Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 2.88Å
110	L	80.1	Confident	72.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-49.3	178.4	-179.1	64.2	0	0	0	112.5	V71 W72 L97 R106 N107 D108 N112 I113 L114	V71-L110 HydrophobicContact CB-CD2 3.99Å; V71-L110 HydrophobicContact CG1-CD2 3.73Å; W72-L110 HydrophobicContact CZ2-CB 3.91Å; W72-L110 HydrophobicContact CZ2-CD2 4.14Å; W72-L110 HydrophobicContact CZ2-CG 4.44Å; L97-L110 HydrophobicContact CD1-CD1 4.1Å; R106-L110 WeakPolarHBondContact O-CB 3.3Å; R106-L110 PolarHBondContact O-N 2.79Å; N107-L110 PolarHBondContact O-N 3.41Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.08Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 2.95Å; L110-L114 HydrophobicContact CD1-CD1 3.76Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.18Å; L110-L114 PolarHBondContact O-N 3.4Å
111	C	78.3	Confident	71.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-31.6	-174.5	-63.8	0	0	0	0	113.3	C64 N107 D108 T115 L116 C117	C64-C111 HydrophobicContact CB-CB 3.86Å; C64-C111 WeakPolarHBondContact CB-SG 3.45Å; C64-C111 WeakPolarHBondContact SG-CA 3.5Å; C64-C111 WeakPolarHBondContact SG-CB 3.4Å; C64-C111 CovalentContact SG-SG 2.03Å; C64-C111 PolarHBondContact SG-SG 3.16Å; N107-C111 PolarHBondContact O-N 2.64Å; N107-C111 VanDerWaalsContact O-N 3.09Å; N107-C111 PolarHBondContact O-SG 3.3Å; D108-C111 PolarHBondContact O-N 3.38Å; C111-T115 PolarHBondContact O-N 3.28Å; C111-L116 PolarHBondContact O-N 3.03Å; C111-C117 HydrophobicContact CB-CB 4.39Å; C111-C117 WeakPolarHBondContact CB-SG 3.44Å; C111-C117 PolarHBondContact O-N 3.24Å; C111-C117 VanDerWaalsContact O-N 3.09Å
112	N	75.9	Confident	70.3	Confident	14 Å²	14	45.5 Å²	45.5	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-74.8	-42.4	172.2	-72.3	-73.7	0	0	0	111.9	W50 D108 L110 L114 T115 C117 S119	W50-N112 HydrophobicContact CH2-CB 4.5Å; W50-N112 HydrophobicContact CZ3-CB 3.8Å; D108-N112 PolarHBondContact O-N 2.94Å; D108-N112 PolarHBondContact O-ND2 3.19Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.49Å; N112-L114 PolarHBondContact O-N 3.17Å; N112-T115 WeakPolarHBondContact O-CA 3.46Å; N112-T115 PolarHBondContact O-N 3.31Å; N112-C117 WeakPolarHBondContact OD1-CB 3.23Å; N112-C117 PolarHBondContact OD1-O 3.49Å; N112-S119 PolarHBondContact ND2-OG 3.41Å; N112-S119 PolarHBondContact OD1-N 3.4Å; N112-S119 PolarHBondContact OD1-O 3.27Å; N112-S119 PolarHBondContact OD1-OG 3.37Å
113	I	78.6	Confident	69.2	Low	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-26.8	177.1	-70	168.2	0	0	0	112.3	S28 A29 W45 W50 L97 L100 V109 L110	S28-I113 WeakPolarHBondContact CA-O 3.49Å; S28-I113 WeakPolarHBondContact CB-O 3.39Å; A29-I113 HydrophobicContact CB-CG2 3.44Å; A29-I113 VanDerWaalsContact CB-CG2 3.44Å; A29-I113 PolarHBondContact N-O 3.01Å; W45-I113 HydrophobicContact CD2-CD1 3.58Å; W45-I113 HydrophobicContact CD2-CG1 4.22Å; W45-I113 HydrophobicContact CE3-CD1 3.49Å; W45-I113 VanDerWaalsContact CE3-CD1 3.49Å; W45-I113 HydrophobicContact CE3-CG1 4.37Å; W45-I113 HydrophobicContact CG-CD1 4.18Å; W45-I113 HydrophobicContact CH2-CD1 4.15Å; W45-I113 HydrophobicContact CH2-CG1 4.24Å; W45-I113 HydrophobicContact CH2-CG2 3.62Å; W45-I113 HydrophobicContact CZ2-CD1 4.21Å; W45-I113 HydrophobicContact CZ2-CG1 4.05Å; W45-I113 HydrophobicContact CZ2-CG2 4.1Å; W45-I113 HydrophobicContact CZ3-CD1 3.8Å; W45-I113 HydrophobicContact CZ3-CG1 4.39Å; W45-I113 HydrophobicContact CZ3-CG2 3.95Å; W50-I113 HydrophobicContact CH2-CD1 3.89Å; W50-I113 HydrophobicContact CH2-CG1 3.64Å; W50-I113 HydrophobicContact CZ2-CD1 3.83Å; W50-I113 HydrophobicContact CZ2-CG1 4.1Å; L97-I113 HydrophobicContact CD2-CG2 3.98Å; L100-I113 HydrophobicContact CD1-CD1 3.81Å; V109-I113 HydrophobicContact CG1-CD1 3.51Å; V109-I113 WeakPolarHBondContact O-CB 3.31Å; V109-I113 WeakPolarHBondContact O-CD1 3.38Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 2.88Å; L110-I113 PolarHBondContact O-N 2.95Å
114	L	75.3	Confident	68.1	Low	37 Å²	37	39.3 Å²	39.3	19%	0.194	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.7	171.1	-65.7	179.1	0	0	0	113.7	L80 L110 N112 L116	L80-L114 HydrophobicContact CD1-CD1 4.37Å; L80-L114 HydrophobicContact CD1-CD2 3.99Å; L80-L114 HydrophobicContact CD2-CD2 4.44Å; L80-L114 HydrophobicContact CG-CD2 4.17Å; L110-L114 HydrophobicContact CD1-CD1 3.76Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.18Å; L110-L114 PolarHBondContact O-N 3.4Å; N112-L114 PolarHBondContact O-N 3.17Å; L114-L116 HydrophobicContact CB-CD1 4.05Å; L114-L116 HydrophobicContact CB-CG 4.02Å; L114-L116 HydrophobicContact CD1-CD1 4.26Å; L114-L116 PolarHBondContact O-N 3.1Å
115	T	72.9	Confident	66.9	Low	74 Å²	74	35.4 Å²	35.4	45%	0.454	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.6	-175.3	51.4	0	0	0	0	113.8	C111 N112	C111-T115 PolarHBondContact O-N 3.28Å; N112-T115 WeakPolarHBondContact O-CA 3.46Å; N112-T115 PolarHBondContact O-N 3.31Å
116	L	71.5	Confident	65.5	Low	40 Å²	40	33.4 Å²	33.4	21%	0.209	17%	0.165	C	C	.	.			trans	-94	-16.3	172.8	-64.1	176.4	0	0	0	112.4	E60 C61 C64 C111 L114 L633	E60-L116 CarbonylContact C-O 3.57Å; E60-L116 VanDerWaalsContact C-O 3.32Å; C61-L116 WeakPolarHBondContact CA-O 3.34Å; C61-L116 PolarHBondContact N-O 3.3Å; C64-L116 HydrophobicContact CB-CB 3.96Å; C64-L116 HydrophobicContact CB-CD1 4.02Å; C111-L116 PolarHBondContact O-N 3.03Å; L114-L116 HydrophobicContact CB-CD1 4.05Å; L114-L116 HydrophobicContact CB-CG 4.02Å; L114-L116 HydrophobicContact CD1-CD1 4.26Å; L114-L116 PolarHBondContact O-N 3.1Å; L116-L633 HydrophobicContact CD2-CD2 4Å
117	C	69	Low	64	Low	5 Å²	5	32 Å²	32	3%	0.034	17%	0.165	C	C	.	.			trans	-112.3	137.7	162.6	-63.3	0	0	0	0	109.6	D56 C61 C111 N112 S119	D56-C117 WeakPolarHBondContact OD2-CA 3.1Å; C61-C117 WeakPolarHBondContact CA-SG 3.3Å; C61-C117 HydrophobicContact CB-CB 3.75Å; C61-C117 WeakPolarHBondContact CB-SG 3.35Å; C61-C117 WeakPolarHBondContact SG-CB 3.43Å; C61-C117 CovalentContact SG-SG 2.03Å; C61-C117 PolarHBondContact SG-SG 3.02Å; C111-C117 HydrophobicContact CB-CB 4.39Å; C111-C117 WeakPolarHBondContact CB-SG 3.44Å; C111-C117 PolarHBondContact O-N 3.24Å; C111-C117 VanDerWaalsContact O-N 3.09Å; N112-C117 WeakPolarHBondContact OD1-CB 3.23Å; N112-C117 PolarHBondContact OD1-O 3.49Å; C117-S119 PolarHBondContact O-N 3.28Å
118	D	63.3	Low	62.5	Low	96 Å²	96	32.1 Å²	32.1	51%	0.513	16%	0.163	S	C	.	.			trans	-88	19.9	165.3	-83.1	-37.2	0	0	0	110.9	D56	D56-D118 PolarHBondContact OD2-N 3.41Å
119	S	54.5	Low	61	Low	4 Å²	4	31.5 Å²	31.5	3%	0.028	16%	0.162	C	C	.	.			trans	-70.5	137	-173.5	70.4	0	0	0	0	112	N112 C117 T121	N112-S119 PolarHBondContact ND2-OG 3.41Å; N112-S119 PolarHBondContact OD1-N 3.4Å; N112-S119 PolarHBondContact OD1-O 3.27Å; N112-S119 PolarHBondContact OD1-OG 3.37Å; C117-S119 PolarHBondContact O-N 3.28Å; S119-T121 PolarHBondContact O-N 3.48Å
120	H	50.8	Low	59.9	Low	9 Å²	9	34.1 Å²	34.1	4%	0.042	18%	0.178	C	C	.	.			trans	-74.3	65.9	-179.5	-54.7	-117.2	0	0	0	110.5	F53 Y122 G129 V130	F53-H120 HydrophobicContact CB-CB 4.07Å; F53-H120 WeakPolarHBondContact CB-O 3.25Å; F53-H120 HydrophobicContact CD1-CB 4.1Å; F53-H120 PolarHBondContact N-O 3.14Å; H120-Y122 WeakPolarHBondContact O-CD2 3.34Å; H120-G129 PolarHBondContact ND1-O 3.31Å; H120-V130 VanDerWaalsContact CE1-CB 3.47Å; H120-V130 WeakPolarHBondContact CE1-CB 3.31Å
121	T	51	Low	58.7	Low	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.1	175.2	48.9	0	0	0	0	110	W50 S51 S119	W50-T121 HydrophobicContact CE3-CG2 3.91Å; W50-T121 HydrophobicContact CZ3-CG2 4.43Å; W50-T121 WeakPolarHBondContact CZ3-OG1 3.05Å; S51-T121 WeakPolarHBondContact O-CA 3.47Å; S119-T121 PolarHBondContact O-N 3.48Å
122	Y	51.4	Low	58.1	Low	58 Å²	58	40.8 Å²	40.8	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140	174.6	-68.8	-113.3	0	0	0	110.1	W50 S51 F53 H120 L126 N127	W50-Y122 WeakPolarHBondContact CA-O 3.41Å; S51-Y122 PolarHBondContact N-O 3.24Å; S51-Y122 PolarHBondContact O-N 3.1Å; F53-Y122 HydrophobicContact CB-CD2 4.02Å; F53-Y122 HydrophobicContact CB-CE2 3.58Å; F53-Y122 HydrophobicContact CD1-CE2 4.35Å; F53-Y122 HydrophobicContact CD2-CE2 4.25Å; F53-Y122 AromaticContact CG-CE2 3.83Å; F53-Y122 HydrophobicContact CG-CE2 3.83Å; H120-Y122 WeakPolarHBondContact O-CD2 3.34Å; Y122-L126 VanDerWaalsContact CA-O 3.28Å; Y122-L126 WeakPolarHBondContact CA-O 3.44Å; Y122-N127 HydrophobicContact CD1-CB 3.93Å; Y122-N127 HydrophobicContact CE1-CB 3.57Å; Y122-N127 VanDerWaalsContact CZ-CG 3.45Å; Y122-N127 PolarHBondContact OH-ND2 3.25Å; Y122-N127 VanDerWaalsContact OH-ND2 3.15Å
123	I	53.3	Low	57.7	Low	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	94.7	167.9	-51.7	-178.5	0	0	0	106	W45 Y48 W50 D125 L126 F128	W45-I123 HydrophobicContact CG-CD1 4.27Å; Y48-I123 HydrophobicContact CD2-CG2 4.23Å; Y48-I123 HydrophobicContact CG-CG2 4.46Å; W50-I123 HydrophobicContact CD2-CD1 4.13Å; W50-I123 HydrophobicContact CD2-CG1 4.04Å; W50-I123 VanDerWaalsContact CE2-CD1 3.43Å; W50-I123 HydrophobicContact CE3-CD1 4.49Å; W50-I123 HydrophobicContact CE3-CG1 4.43Å; W50-I123 HydrophobicContact CG-CG1 4.49Å; W50-I123 HydrophobicContact CH2-CD1 3.55Å; W50-I123 HydrophobicContact CH2-CG1 4.32Å; W50-I123 HydrophobicContact CZ2-CD1 3.14Å; W50-I123 HydrophobicContact CZ2-CG1 3.98Å; W50-I123 HydrophobicContact CZ3-CD1 4.22Å; I123-D125 PolarHBondContact O-N 3.3Å; I123-D125 VanDerWaalsContact O-N 3.16Å; I123-L126 HydrophobicContact CB-CB 4.17Å; I123-L126 HydrophobicContact CB-CD1 4.02Å; I123-L126 HydrophobicContact CG2-CD1 4.19Å; I123-L126 PolarHBondContact N-O 3.27Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 WeakPolarHBondContact O-CD1 3.43Å; I123-L126 WeakPolarHBondContact O-CG 3.45Å; I123-L126 PolarHBondContact O-N 3.37Å; I123-F128 HydrophobicContact CB-CE2 4.02Å; I123-F128 HydrophobicContact CD1-CD2 4.04Å; I123-F128 HydrophobicContact CD1-CE2 3.46Å; I123-F128 VanDerWaalsContact CD1-CE2 3.46Å; I123-F128 HydrophobicContact CD1-CZ 4.38Å; I123-F128 HydrophobicContact CG1-CD2 4.06Å; I123-F128 HydrophobicContact CG1-CE2 3.7Å
124	K	54.5	Low	57.4	Low	108 Å²	108	44 Å²	44	47%	0.47	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-117.1	-167.1	-165.1	-147.4	178.3	-152.3	0	110.2	Y48 L126	Y48-K124 HydrophobicContact CD1-CB 3.72Å; Y48-K124 HydrophobicContact CD1-CD 4.49Å; Y48-K124 HydrophobicContact CD1-CG 3.96Å; Y48-K124 HydrophobicContact CD2-CB 3.81Å; Y48-K124 HydrophobicContact CE1-CB 4.03Å; Y48-K124 HydrophobicContact CE1-CD 3.94Å; Y48-K124 HydrophobicContact CE1-CG 3.82Å; Y48-K124 HydrophobicContact CE2-CB 4.09Å; Y48-K124 HydrophobicContact CE2-CD 4Å; Y48-K124 HydrophobicContact CE2-CG 4.38Å; Y48-K124 HydrophobicContact CG-CB 3.61Å; Y48-K124 HydrophobicContact CG-CG 4.33Å; K124-L126 VanDerWaalsContact C-N 3.34Å
125	D	44.3	Very low	57	Low	85 Å²	85	46.7 Å²	46.7	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.4	179.4	-21.4	-56.5	0	0	0	113.1	R23 I123 N127	R23-D125 IonicContact CZ-OD2 3.74Å; R23-D125 IonicContact NH2-OD2 2.68Å; R23-D125 PolarHBondContact NH2-OD2 2.91Å; R23-D125 VanDerWaalsContact NH2-OD2 3.12Å; I123-D125 PolarHBondContact O-N 3.3Å; I123-D125 VanDerWaalsContact O-N 3.16Å; D125-N127 PolarHBondContact O-N 3.41Å
126	L	44	Very low	57.2	Low	23 Å²	23	43.5 Å²	43.5	12%	0.12	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	101.6	-178.9	-65	155.6	0	0	0	110.4	R23 Y122 I123 K124 F128	R23-L126 HydrophobicContact CB-CD2 3.42Å; R23-L126 VanDerWaalsContact CB-CD2 3.42Å; R23-L126 HydrophobicContact CG-CD2 3.52Å; Y122-L126 VanDerWaalsContact CA-O 3.28Å; Y122-L126 WeakPolarHBondContact CA-O 3.44Å; I123-L126 HydrophobicContact CB-CB 4.17Å; I123-L126 HydrophobicContact CB-CD1 4.02Å; I123-L126 HydrophobicContact CG2-CD1 4.19Å; I123-L126 PolarHBondContact N-O 3.27Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 WeakPolarHBondContact O-CD1 3.43Å; I123-L126 WeakPolarHBondContact O-CG 3.45Å; I123-L126 PolarHBondContact O-N 3.37Å; K124-L126 VanDerWaalsContact C-N 3.34Å; L126-F128 HydrophobicContact CB-CD2 4.12Å; L126-F128 HydrophobicContact CB-CE2 3.41Å; L126-F128 VanDerWaalsContact CB-CE2 3.41Å; L126-F128 HydrophobicContact CB-CZ 3.7Å; L126-F128 HydrophobicContact CD1-CE2 4.12Å; L126-F128 HydrophobicContact CD1-CZ 4.02Å; L126-F128 HydrophobicContact CD2-CZ 3.99Å; L126-F128 HydrophobicContact CG-CE2 4.23Å; L126-F128 HydrophobicContact CG-CZ 4.13Å
127	N	44.7	Very low	57.8	Low	60 Å²	60	43.9 Å²	43.9	32%	0.321	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	107.1	172.5	-170.7	4.5	0	0	0	110.5	Y122 D125 G129 P131	Y122-N127 HydrophobicContact CD1-CB 3.93Å; Y122-N127 HydrophobicContact CE1-CB 3.57Å; Y122-N127 VanDerWaalsContact CZ-CG 3.45Å; Y122-N127 PolarHBondContact OH-ND2 3.25Å; Y122-N127 VanDerWaalsContact OH-ND2 3.15Å; D125-N127 PolarHBondContact O-N 3.41Å; N127-G129 PolarHBondContact OD1-O 3.12Å; N127-P131 VanDerWaalsContact ND2-CG 3.31Å; N127-P131 WeakPolarHBondContact ND2-CG 3.04Å
128	F	46.7	Very low	58.2	Low	39 Å²	39	51.2 Å²	51.2	17%	0.171	26%	0.255	C	S	.	.			trans	-90.9	-21	-173	-75.2	-66.8	0	0	0	115.8	R23 C26 R27 I123 L126	R23-F128 WeakPolarHBondContact O-CE1 3.36Å; C26-F128 HydrophobicContact CB-CZ 4.29Å; R27-F128 VanDerWaalsContact CA-CE1 3.45Å; R27-F128 HydrophobicContact CB-CD1 3.81Å; R27-F128 HydrophobicContact CB-CE1 4.01Å; R27-F128 HydrophobicContact CG-CD1 4.17Å; I123-F128 HydrophobicContact CB-CE2 4.02Å; I123-F128 HydrophobicContact CD1-CD2 4.04Å; I123-F128 HydrophobicContact CD1-CE2 3.46Å; I123-F128 VanDerWaalsContact CD1-CE2 3.46Å; I123-F128 HydrophobicContact CD1-CZ 4.38Å; I123-F128 HydrophobicContact CG1-CD2 4.06Å; I123-F128 HydrophobicContact CG1-CE2 3.7Å; L126-F128 HydrophobicContact CB-CD2 4.12Å; L126-F128 HydrophobicContact CB-CE2 3.41Å; L126-F128 VanDerWaalsContact CB-CE2 3.41Å; L126-F128 HydrophobicContact CB-CZ 3.7Å; L126-F128 HydrophobicContact CD1-CE2 4.12Å; L126-F128 HydrophobicContact CD1-CZ 4.02Å; L126-F128 HydrophobicContact CD2-CZ 3.99Å; L126-F128 HydrophobicContact CG-CE2 4.23Å; L126-F128 HydrophobicContact CG-CZ 4.13Å
129	G	43.7	Very low	58.9	Low	6 Å²	6	51.1 Å²	51.1	6%	0.062	25%	0.254	C	S	.	.	S	Bend	trans	-112	121.6	177.9	0	0	0	0	0	110.5	H120 N127 P131	H120-G129 PolarHBondContact ND1-O 3.31Å; N127-G129 PolarHBondContact OD1-O 3.12Å; G129-P131 VanDerWaalsContact C-CD 3.45Å; G129-P131 WeakPolarHBondContact O-CD 3.37Å
130	V	54.3	Low	60.1	Low	55 Å²	55	51.7 Å²	51.7	33%	0.333	26%	0.257	S	S	.	.	S	Bend		79.5	-38.3	127	179.1	0	0	0	0	125	H120 L132 C133 D134	H120-V130 VanDerWaalsContact CE1-CB 3.47Å; H120-V130 WeakPolarHBondContact CE1-CB 3.31Å; V130-L132 VanDerWaalsContact C-N 3.31Å; V130-L132 PolarHBondContact O-N 3.18Å; V130-L132 VanDerWaalsContact O-N 3.16Å; V130-C133 WeakPolarHBondContact O-CA 3.44Å; V130-C133 VanDerWaalsContact O-CB 3.28Å; V130-C133 WeakPolarHBondContact O-CB 3.01Å; V130-C133 PolarHBondContact O-N 2.62Å; V130-D134 PolarHBondContact O-N 2.69Å
131	P	54.7	Low	61.6	Low	28 Å²	28	54.4 Å²	54.4	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-34.7	-164.7	32.3	-38.3	0	0	0	112.1	N127 G129 C133 D134 D135	N127-P131 VanDerWaalsContact ND2-CG 3.31Å; N127-P131 WeakPolarHBondContact ND2-CG 3.04Å; G129-P131 VanDerWaalsContact C-CD 3.45Å; G129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-C133 PolarHBondContact O-N 2.88Å; P131-D134 PolarHBondContact O-N 3.12Å; P131-D135 WeakPolarHBondContact O-CA 3.2Å; P131-D135 WeakPolarHBondContact O-CB 3.31Å; P131-D135 PolarHBondContact O-N 3.06Å
132	L	64.9	Low	62.5	Low	114 Å²	114	57 Å²	57	60%	0.597	29%	0.285	S	S	*	.	H	α-helix	trans	-54.8	-28	173.5	-67.9	174.7	0	0	0	113.5	V130 C136 L206	V130-L132 VanDerWaalsContact C-N 3.31Å; V130-L132 PolarHBondContact O-N 3.18Å; V130-L132 VanDerWaalsContact O-N 3.16Å; L132-C136 WeakPolarHBondContact O-CB 3.36Å; L132-C136 PolarHBondContact O-N 2.87Å; L132-L206 HydrophobicContact CB-CD2 4.28Å
133	C	68.8	Low	63.3	Low	20 Å²	20	59 Å²	59	14%	0.135	30%	0.298	C	S	.	.	H	α-helix	trans	-75.6	-52.6	172.7	-179.5	0	0	0	0	111.4	V130 P131 C136 K137 L206 C207	V130-C133 WeakPolarHBondContact O-CA 3.44Å; V130-C133 VanDerWaalsContact O-CB 3.28Å; V130-C133 WeakPolarHBondContact O-CB 3.01Å; V130-C133 PolarHBondContact O-N 2.62Å; P131-C133 PolarHBondContact O-N 2.88Å; C133-C136 PolarHBondContact O-N 3.3Å; C133-K137 VanDerWaalsContact O-CG 3.28Å; C133-K137 WeakPolarHBondContact O-CG 3.26Å; C133-K137 PolarHBondContact O-N 3.3Å; C133-K137 VanDerWaalsContact SG-CE 3.6Å; C133-L206 WeakPolarHBondContact CA-O 3.07Å; C133-L206 WeakPolarHBondContact CB-O 3.34Å; C133-L206 PolarHBondContact N-O 3.05Å; C133-C207 WeakPolarHBondContact CA-SG 3.31Å; C133-C207 HydrophobicContact CB-CB 3.98Å; C133-C207 WeakPolarHBondContact CB-SG 3.44Å; C133-C207 VanDerWaalsContact SG-CA 3.54Å; C133-C207 WeakPolarHBondContact SG-CB 3.39Å; C133-C207 CovalentContact SG-SG 2.04Å; C133-C207 PolarHBondContact SG-SG 3.31Å
134	D	71	Confident	64.3	Low	62 Å²	62	60.1 Å²	60.1	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-43.2	-177.7	-71	-16.5	0	0	0	112.2	R54 V130 P131 C136 K137 R138	R54-D134 IonicContact NH1-OD2 3.79Å; V130-D134 PolarHBondContact O-N 2.69Å; P131-D134 PolarHBondContact O-N 3.12Å; D134-C136 VanDerWaalsContact C-N 3.33Å; D134-C136 PolarHBondContact O-N 3.43Å; D134-K137 PolarHBondContact O-N 3.07Å; D134-R138 VanDerWaalsContact O-CB 3.23Å; D134-R138 WeakPolarHBondContact O-CB 3.42Å; D134-R138 PolarHBondContact O-N 3.03Å
135	D	67.9	Low	64.9	Low	94 Å²	94	60.4 Å²	60.4	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-38.9	173.3	-65.5	-32.8	0	0	0	111.2	P131 L139	P131-D135 WeakPolarHBondContact O-CA 3.2Å; P131-D135 WeakPolarHBondContact O-CB 3.31Å; P131-D135 PolarHBondContact O-N 3.06Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.48Å
136	C	78.1	Confident	65.7	Low	7 Å²	7	61.6 Å²	61.6	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-47.4	173.3	174.6	0	0	0	0	111.5	L132 C133 D134 R138 L139 V140 C201 L206	L132-C136 WeakPolarHBondContact O-CB 3.36Å; L132-C136 PolarHBondContact O-N 2.87Å; C133-C136 PolarHBondContact O-N 3.3Å; D134-C136 VanDerWaalsContact C-N 3.33Å; D134-C136 PolarHBondContact O-N 3.43Å; C136-R138 PolarHBondContact O-N 3.27Å; C136-L139 PolarHBondContact O-N 3.18Å; C136-V140 WeakPolarHBondContact O-CB 3.08Å; C136-V140 VanDerWaalsContact O-CG2 3.31Å; C136-V140 WeakPolarHBondContact O-CG2 3.49Å; C136-V140 PolarHBondContact O-N 3.5Å; C136-C201 HydrophobicContact CB-CB 3.8Å; C136-C201 WeakPolarHBondContact CB-SG 3.33Å; C136-C201 PolarHBondContact O-SG 3.17Å; C136-C201 WeakPolarHBondContact SG-CA 3.26Å; C136-C201 WeakPolarHBondContact SG-CB 3.43Å; C136-C201 CovalentContact SG-SG 2.03Å; C136-C201 PolarHBondContact SG-SG 3.04Å; C136-L206 HydrophobicContact CB-CB 4.19Å; C136-L206 HydrophobicContact CB-CD1 3.78Å
137	K	82.8	Confident	66.6	Low	48 Å²	48	63.2 Å²	63.2	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-41.7	177.9	-72.2	172.8	-178.6	-162.1	0	110.8	C133 D134 V140 N141 P197 E198 C201	C133-K137 VanDerWaalsContact O-CG 3.28Å; C133-K137 WeakPolarHBondContact O-CG 3.26Å; C133-K137 PolarHBondContact O-N 3.3Å; C133-K137 VanDerWaalsContact SG-CE 3.6Å; D134-K137 PolarHBondContact O-N 3.07Å; K137-V140 PolarHBondContact O-N 3.45Å; K137-N141 WeakPolarHBondContact O-CB 3.4Å; K137-N141 PolarHBondContact O-N 2.95Å; K137-N141 PolarHBondContact O-ND2 2.04Å; K137-P197 HydrophobicContact CB-CB 3.97Å; K137-P197 HydrophobicContact CG-CB 4.01Å; K137-E198 WeakPolarHBondContact CD-OE1 3.28Å; K137-E198 WeakPolarHBondContact CE-OE1 3.33Å; K137-E198 IonicContact NZ-OE1 3.55Å; K137-E198 PolarHBondContact NZ-OE1 2.85Å; K137-C201 PolarHBondContact N-SG 3.13Å
138	R	78.5	Confident	67.6	Low	159 Å²	159	66.1 Å²	66.1	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-63.7	-50.1	175.5	-175.6	170.5	177.2	-123.4	-14.3	111.1	D134 C136 V140 N141 D142	D134-R138 VanDerWaalsContact O-CB 3.23Å; D134-R138 WeakPolarHBondContact O-CB 3.42Å; D134-R138 PolarHBondContact O-N 3.03Å; C136-R138 PolarHBondContact O-N 3.27Å; R138-V140 VanDerWaalsContact C-N 3.26Å; R138-V140 PolarHBondContact O-N 2.81Å; R138-N141 CarbonylContact O-C 3.6Å; R138-N141 PolarHBondContact O-N 3.19Å; R138-D142 IonicContact NE-OD2 3.42Å; R138-D142 WeakPolarHBondContact O-CB 2.99Å; R138-D142 PolarHBondContact O-N 3.46Å
139	L	76.9	Confident	68.1	Low	94 Å²	94	70 Å²	70	49%	0.492	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-38.9	175	-179.6	64.8	0	0	0	112.3	D135 C136 M143	D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.48Å; C136-L139 PolarHBondContact O-N 3.18Å; L139-M143 HydrophobicContact CD1-CE 4.18Å; L139-M143 HydrophobicContact CD2-CE 4.46Å; L139-M143 HydrophobicContact CG-CE 4.19Å; L139-M143 VanDerWaalsContact O-CB 3.3Å; L139-M143 WeakPolarHBondContact O-CB 3.25Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.44Å; L139-M143 PolarHBondContact O-N 3.43Å
140	V	80.8	Confident	68.4	Low	15 Å²	15	75 Å²	75	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-68.6	-38.7	175.9	169.1	0	0	0	0	111.8	C136 K137 R138 R144 P197 I200	C136-V140 WeakPolarHBondContact O-CB 3.08Å; C136-V140 VanDerWaalsContact O-CG2 3.31Å; C136-V140 WeakPolarHBondContact O-CG2 3.49Å; C136-V140 PolarHBondContact O-N 3.5Å; K137-V140 PolarHBondContact O-N 3.45Å; R138-V140 VanDerWaalsContact C-N 3.26Å; R138-V140 PolarHBondContact O-N 2.81Å; V140-R144 PolarHBondContact O-N 3.37Å; V140-P197 HydrophobicContact CB-CB 4.37Å; V140-P197 HydrophobicContact CG1-CB 4.08Å; V140-P197 HydrophobicContact CG1-CG 4.37Å; V140-I200 HydrophobicContact CG1-CD1 3.78Å; V140-I200 HydrophobicContact CG2-CB 4.26Å; V140-I200 HydrophobicContact CG2-CG2 3.73Å
141	N	80.6	Confident	68.3	Low	67 Å²	67	74.8 Å²	74.8	36%	0.358	38%	0.375	S	S	.	.	H	α-helix	trans	-70.3	-40.6	174	-73.2	-22.2	0	0	0	112.1	K137 R138 M143 R144 R145 P197	K137-N141 WeakPolarHBondContact O-CB 3.4Å; K137-N141 PolarHBondContact O-N 2.95Å; K137-N141 PolarHBondContact O-ND2 2.04Å; R138-N141 CarbonylContact O-C 3.6Å; R138-N141 PolarHBondContact O-N 3.19Å; N141-M143 VanDerWaalsContact C-N 3.32Å; N141-R144 WeakPolarHBondContact O-CB 3.33Å; N141-R144 PolarHBondContact O-N 3.2Å; N141-R145 WeakPolarHBondContact O-CG 3.37Å; N141-R145 PolarHBondContact O-N 3.48Å; N141-P197 WeakPolarHBondContact OD1-CG 3.44Å
142	D	71.1	Confident	68.8	Low	54 Å²	54	77.9 Å²	77.9	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-41.7	173.9	-65.4	-16.5	0	0	0	109.8	R138 R145 L146	R138-D142 IonicContact NE-OD2 3.42Å; R138-D142 WeakPolarHBondContact O-CB 2.99Å; R138-D142 PolarHBondContact O-N 3.46Å; D142-R145 PolarHBondContact O-N 3.4Å; D142-L146 WeakPolarHBondContact O-CB 3.09Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.28Å; D142-L146 PolarHBondContact O-N 2.03Å
143	M	67.7	Low	68.7	Low	101 Å²	101	73.6 Å²	73.6	50%	0.498	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-39.3	171.9	-79.5	-179.2	176.1	0	0	113.1	L139 N141 L146 I147	L139-M143 HydrophobicContact CD1-CE 4.18Å; L139-M143 HydrophobicContact CD2-CE 4.46Å; L139-M143 HydrophobicContact CG-CE 4.19Å; L139-M143 VanDerWaalsContact O-CB 3.3Å; L139-M143 WeakPolarHBondContact O-CB 3.25Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.44Å; L139-M143 PolarHBondContact O-N 3.43Å; N141-M143 VanDerWaalsContact C-N 3.32Å; M143-L146 PolarHBondContact O-N 2.96Å; M143-I147 WeakPolarHBondContact O-CG1 3.49Å; M143-I147 PolarHBondContact O-N 3.05Å; M143-I147 VanDerWaalsContact O-N 3.11Å
144	R	73.7	Confident	68.8	Low	24 Å²	24	75.2 Å²	75.2	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-49.3	173.4	-82.1	-164.7	178.8	96.3	21.2	112	V140 N141 L146 I147 E148 I191 S192 M195	V140-R144 PolarHBondContact O-N 3.37Å; N141-R144 WeakPolarHBondContact O-CB 3.33Å; N141-R144 PolarHBondContact O-N 3.2Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.06Å; R144-I147 CarbonylContact O-C 3.6Å; R144-I147 WeakPolarHBondContact O-CA 3Å; R144-I147 WeakPolarHBondContact O-CB 3.2Å; R144-I147 PolarHBondContact O-N 2.97Å; R144-E148 WeakPolarHBondContact O-CB 3.07Å; R144-E148 WeakPolarHBondContact O-CG 3.21Å; R144-E148 PolarHBondContact O-N 3Å; R144-I191 VanDerWaalsContact CZ-O 3.27Å; R144-I191 PolarHBondContact NE-O 3.31Å; R144-I191 PolarHBondContact NH2-O 2.62Å; R144-S192 PolarHBondContact NE-O 3.49Å; R144-M195 PolarHBondContact NH2-O 2.83Å
145	R	68.3	Low	68.9	Low	113 Å²	113	77 Å²	77	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.5	-71.3	171.3	172.2	-170.8	-5.2	111.5	N141 D142 I147 E148 D149 E403	N141-R145 WeakPolarHBondContact O-CG 3.37Å; N141-R145 PolarHBondContact O-N 3.48Å; D142-R145 PolarHBondContact O-N 3.4Å; R145-I147 PolarHBondContact O-N 3.39Å; R145-E148 PolarHBondContact O-N 3.33Å; R145-D149 WeakPolarHBondContact O-CB 3.23Å; R145-D149 PolarHBondContact O-N 2.88Å; R145-E403 IonicContact CZ-OE1 2.62Å; R145-E403 VanDerWaalsContact CZ-OE1 3.31Å; R145-E403 IonicContact CZ-OE2 3.71Å; R145-E403 IonicContact NH1-OE1 2.7Å; R145-E403 PolarHBondContact NH1-OE1 3.41Å; R145-E403 IonicContact NH1-OE2 3.07Å; R145-E403 PolarHBondContact NH1-OE2 2.98Å; R145-E403 IonicContact NH2-OE1 2.95Å; R145-E403 PolarHBondContact NH2-OE1 2.9Å; R145-E403 IonicContact NH2-OE2 3.11Å
146	L	60.9	Low	69.2	Low	111 Å²	111	75.5 Å²	75.5	58%	0.581	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-25.7	174.2	-71.5	168.9	0	0	0	113.9	D142 M143 R144 N150	D142-L146 WeakPolarHBondContact O-CB 3.09Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.28Å; D142-L146 PolarHBondContact O-N 2.03Å; M143-L146 PolarHBondContact O-N 2.96Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.06Å; L146-N150 VanDerWaalsContact O-CB 3.28Å; L146-N150 WeakPolarHBondContact O-CB 3.24Å
147	I	63.6	Low	69.3	Low	56 Å²	56	76.9 Å²	76.9	29%	0.287	39%	0.393	S	S	.	.	H	α-helix	trans	-83.5	-35.7	174.4	-76.5	166.1	0	0	0	112.2	M143 R144 R145 L188 I191	M143-I147 WeakPolarHBondContact O-CG1 3.49Å; M143-I147 PolarHBondContact O-N 3.05Å; M143-I147 VanDerWaalsContact O-N 3.11Å; R144-I147 CarbonylContact O-C 3.6Å; R144-I147 WeakPolarHBondContact O-CA 3Å; R144-I147 WeakPolarHBondContact O-CB 3.2Å; R144-I147 PolarHBondContact O-N 2.97Å; R145-I147 PolarHBondContact O-N 3.39Å; I147-L188 HydrophobicContact CD1-CD2 4.31Å; I147-L188 HydrophobicContact CG1-CD2 4.11Å; I147-L188 HydrophobicContact CG2-CB 4.35Å; I147-L188 HydrophobicContact CG2-CD2 3.87Å; I147-I191 HydrophobicContact CD1-CB 4.25Å; I147-I191 HydrophobicContact CD1-CD1 4.14Å; I147-I191 HydrophobicContact CD1-CG2 3.61Å
148	E	64.1	Low	69.3	Low	122 Å²	122	77.2 Å²	77.2	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-83.5	-39.5	-174.9	-72.3	162.1	-172.2	0	0	112.3	R144 R145	R144-E148 WeakPolarHBondContact O-CB 3.07Å; R144-E148 WeakPolarHBondContact O-CG 3.21Å; R144-E148 PolarHBondContact O-N 3Å; R145-E148 PolarHBondContact O-N 3.33Å
149	D	57.9	Low	69.5	Low	121 Å²	121	75.1 Å²	75.1	65%	0.647	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-32.2	-170.3	-157.6	33.1	0	0	0	112.5	R145 S151	R145-D149 WeakPolarHBondContact O-CB 3.23Å; R145-D149 PolarHBondContact O-N 2.88Å; D149-S151 PolarHBondContact O-N 2.96Å
150	N	49.2	Very low	69.7	Low	111 Å²	111	73.6 Å²	73.6	59%	0.594	39%	0.394	S	S	*	.	S	Bend	trans	-97.4	46.5	-165.2	-142.9	-3.9	0	0	0	115.2	L146	L146-N150 VanDerWaalsContact O-CB 3.28Å; L146-N150 WeakPolarHBondContact O-CB 3.24Å
151	S	52.4	Low	70	Confident	50 Å²	50	74.4 Å²	74.4	35%	0.35	40%	0.398	S	S	.	.			trans	65	74.3	159.7	64.9	0	0	0	0	119.5	D149 Q155	D149-S151 PolarHBondContact O-N 2.96Å; S151-Q155 WeakPolarHBondContact O-CG 3.39Å; S151-Q155 PolarHBondContact O-NE2 2.03Å; S151-Q155 PolarHBondContact OG-NE2 2.87Å
152	T	64.9	Low	70.2	Confident	92 Å²	92	77.5 Å²	77.5	56%	0.564	41%	0.41	S	S	*	.			trans	76.2	139.8	147.7	72.8	0	0	0	0	119.8	A154 Q155	T152-A154 PolarHBondContact O-N 3.46Å; T152-A154 VanDerWaalsContact O-N 3.17Å; T152-Q155 PolarHBondContact O-N 3.34Å; T152-Q155 VanDerWaalsContact O-N 3.15Å
153	A	64.1	Low	70.8	Confident	24 Å²	24	80.7 Å²	80.7	20%	0.198	43%	0.427	C	S	.	.	H	α-helix	trans	-50.9	-35.9	167	0	0	0	0	0	112.5	Q155 I156 E157 I184 P185 L188	A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 PolarHBondContact O-N 3.07Å; A153-I156 CarbonylContact O-C 2.93Å; A153-I156 PolarHBondContact O-N 3.15Å; A153-E157 WeakPolarHBondContact CB-OE1 3.49Å; A153-E157 WeakPolarHBondContact O-CB 3.21Å; A153-E157 VanDerWaalsContact O-CG 3.27Å; A153-E157 WeakPolarHBondContact O-CG 3.38Å; A153-E157 PolarHBondContact O-N 3.35Å; A153-I184 HydrophobicContact CB-CG2 4.24Å; A153-P185 HydrophobicContact CB-CG 4.24Å; A153-L188 HydrophobicContact CB-CD1 3.66Å
154	A	70.1	Confident	71.7	Confident	55 Å²	55	79.3 Å²	79.3	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-57.5	-30.6	179.4	0	0	0	0	0	114.6	T152 E157 A158	T152-A154 PolarHBondContact O-N 3.46Å; T152-A154 VanDerWaalsContact O-N 3.17Å; A154-E157 WeakPolarHBondContact CA-OE2 3.34Å; A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 3.16Å
155	Q	74	Confident	72.5	Confident	98 Å²	98	78.2 Å²	78.2	46%	0.458	42%	0.419	S	S	.	.	H	α-helix	trans	-73.7	-41.1	174.6	-70.5	-173	22.2	0	0	111.9	S151 T152 A153 A158 Q159	S151-Q155 WeakPolarHBondContact O-CG 3.39Å; S151-Q155 PolarHBondContact O-NE2 2.03Å; S151-Q155 PolarHBondContact OG-NE2 2.87Å; T152-Q155 PolarHBondContact O-N 3.34Å; T152-Q155 VanDerWaalsContact O-N 3.15Å; A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 PolarHBondContact O-N 3.07Å; Q155-A158 PolarHBondContact O-N 2.69Å; Q155-Q159 WeakPolarHBondContact O-CG 3.49Å; Q155-Q159 PolarHBondContact O-N 2.98Å
156	I	74.2	Confident	73.6	Confident	64 Å²	64	76.9 Å²	76.9	33%	0.328	42%	0.421	S	S	.	.	H	α-helix	trans	-66.8	-42.3	176.1	-62.1	174.4	0	0	0	109.6	A153 Q159 L160 I184 L188	A153-I156 CarbonylContact O-C 2.93Å; A153-I156 PolarHBondContact O-N 3.15Å; I156-Q159 PolarHBondContact O-N 3.16Å; I156-L160 HydrophobicContact CG2-CD1 3.8Å; I156-L160 WeakPolarHBondContact O-CD1 3.41Å; I156-L160 PolarHBondContact O-N 2.96Å; I156-I184 HydrophobicContact CB-CG2 3.97Å; I156-I184 HydrophobicContact CG2-CD1 3.93Å; I156-I184 HydrophobicContact CG2-CG1 4.27Å; I156-I184 HydrophobicContact CG2-CG2 3.67Å; I156-L188 HydrophobicContact CD1-CD1 4.29Å; I156-L188 HydrophobicContact CD1-CD2 4.09Å
157	E	79.6	Confident	74.9	Confident	35 Å²	35	77.4 Å²	77.4	16%	0.164	42%	0.424	C	S	.	.	H	α-helix	trans	-56.8	-52.7	172.8	-71.8	158.2	-163.9	0	0	110.7	A153 A154 Q159 L160 D161 V180 I184 P185	A153-E157 WeakPolarHBondContact CB-OE1 3.49Å; A153-E157 WeakPolarHBondContact O-CB 3.21Å; A153-E157 VanDerWaalsContact O-CG 3.27Å; A153-E157 WeakPolarHBondContact O-CG 3.38Å; A153-E157 PolarHBondContact O-N 3.35Å; A154-E157 WeakPolarHBondContact CA-OE2 3.34Å; E157-Q159 PolarHBondContact O-N 3.32Å; E157-L160 PolarHBondContact O-N 3.05Å; E157-D161 WeakPolarHBondContact O-CB 3.31Å; E157-D161 PolarHBondContact O-N 3.39Å; E157-V180 HydrophobicContact CB-CG1 3.91Å; E157-V180 HydrophobicContact CG-CG1 3.94Å; E157-I184 HydrophobicContact CG-CB 4.07Å; E157-I184 HydrophobicContact CG-CG1 4.47Å; E157-I184 HydrophobicContact CG-CG2 4.14Å; E157-P185 WeakPolarHBondContact OE1-CD 3.2Å; E157-P185 VanDerWaalsContact OE1-CG 3.22Å; E157-P185 WeakPolarHBondContact OE1-CG 3.01Å
158	A	83.3	Confident	75.7	Confident	56 Å²	56	77.7 Å²	77.7	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-41.4	177.9	0	0	0	0	0	113.3	A154 Q155 D161 E162	A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 3.16Å; Q155-A158 PolarHBondContact O-N 2.69Å; A158-D161 WeakPolarHBondContact O-CB 3.23Å; A158-D161 PolarHBondContact O-N 2.81Å; A158-E162 WeakPolarHBondContact O-CB 3.45Å; A158-E162 PolarHBondContact O-N 3.49Å
159	Q	82.1	Confident	76.6	Confident	115 Å²	115	76.1 Å²	76.1	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-67.9	-39.4	177.4	-75.6	-176.3	1.4	0	0	112.8	Q155 I156 E157 D161 L163	Q155-Q159 WeakPolarHBondContact O-CG 3.49Å; Q155-Q159 PolarHBondContact O-N 2.98Å; I156-Q159 PolarHBondContact O-N 3.16Å; E157-Q159 PolarHBondContact O-N 3.32Å; Q159-D161 VanDerWaalsContact C-N 3.33Å; Q159-L163 VanDerWaalsContact O-CB 3.25Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 WeakPolarHBondContact O-CG 3.39Å; Q159-L163 PolarHBondContact O-N 3.24Å
160	L	81.4	Confident	77.4	Confident	61 Å²	61	73.2 Å²	73.2	32%	0.319	43%	0.425	S	S	.	.	H	α-helix	trans	-68.4	-34.9	172.2	-87.6	81.5	0	0	0	111.4	I156 E157 V164 C165 V180 I184	I156-L160 HydrophobicContact CG2-CD1 3.8Å; I156-L160 WeakPolarHBondContact O-CD1 3.41Å; I156-L160 PolarHBondContact O-N 2.96Å; E157-L160 PolarHBondContact O-N 3.05Å; L160-V164 CarbonylContact O-C 2.96Å; L160-V164 WeakPolarHBondContact O-CA 3.5Å; L160-V164 VanDerWaalsContact O-CB 3.26Å; L160-V164 WeakPolarHBondContact O-CB 3.05Å; L160-V164 PolarHBondContact O-N 3.49Å; L160-C165 PolarHBondContact O-N 2.04Å; L160-V180 HydrophobicContact CB-CG1 3.93Å; L160-V180 HydrophobicContact CB-CG2 3.73Å; L160-V180 HydrophobicContact CD2-CG2 3.93Å; L160-V180 HydrophobicContact CG-CG2 4.49Å; L160-I184 HydrophobicContact CD1-CD1 4.48Å; L160-I184 HydrophobicContact CD2-CD1 4.03Å
161	D	86.5	Confident	78.9	Confident	32 Å²	32	77.1 Å²	77.1	17%	0.171	44%	0.44	C	S	.	.	H	α-helix	trans	-62	-44	175.8	-116.9	42.8	0	0	0	111.8	E157 A158 Q159 C165 N166 K177	E157-D161 WeakPolarHBondContact O-CB 3.31Å; E157-D161 PolarHBondContact O-N 3.39Å; A158-D161 WeakPolarHBondContact O-CB 3.23Å; A158-D161 PolarHBondContact O-N 2.81Å; Q159-D161 VanDerWaalsContact C-N 3.33Å; D161-C165 PolarHBondContact O-N 3.48Å; D161-N166 WeakPolarHBondContact O-CB 3.32Å; D161-N166 PolarHBondContact O-N 3.2Å; D161-N166 PolarHBondContact O-ND2 2.77Å; D161-N166 PolarHBondContact O-OD1 2.96Å; D161-K177 VanDerWaalsContact OD1-CG 3.23Å; D161-K177 WeakPolarHBondContact OD1-CG 3.5Å; D161-K177 VanDerWaalsContact OD2-CD 3.24Å; D161-K177 WeakPolarHBondContact OD2-CD 3.29Å; D161-K177 WeakPolarHBondContact OD2-CE 3.48Å; D161-K177 IonicContact OD2-NZ 3.26Å; D161-K177 PolarHBondContact OD2-NZ 3.23Å
162	E	86	Confident	80.3	Confident	132 Å²	132	78.3 Å²	78.3	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-74	-53.2	178.6	-175.4	173.6	-163.4	0	0	112.7	A158 N167	A158-E162 WeakPolarHBondContact O-CB 3.45Å; A158-E162 PolarHBondContact O-N 3.49Å; E162-N167 PolarHBondContact O-ND2 3.13Å
163	L	84	Confident	81.3	Confident	122 Å²	122	76 Å²	76	64%	0.639	43%	0.425	S	S	*	.	H	α-helix	trans	-80.1	-30.8	-171.6	-62.3	172.8	0	0	0	113.1	Q159 N167	Q159-L163 VanDerWaalsContact O-CB 3.25Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 WeakPolarHBondContact O-CG 3.39Å; Q159-L163 PolarHBondContact O-N 3.24Å; L163-N167 PolarHBondContact O-ND2 3.23Å
164	V	85.5	Confident	82.5	Confident	72 Å²	72	79 Å²	79	44%	0.436	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-63.1	-177.5	-170.4	0	0	0	0	110.8	L160 N166 N167 L168	L160-V164 CarbonylContact O-C 2.96Å; L160-V164 WeakPolarHBondContact O-CA 3.5Å; L160-V164 VanDerWaalsContact O-CB 3.26Å; L160-V164 WeakPolarHBondContact O-CB 3.05Å; L160-V164 PolarHBondContact O-N 3.49Å; V164-N166 PolarHBondContact O-N 3.49Å; V164-N167 PolarHBondContact O-N 3.05Å; V164-N167 VanDerWaalsContact O-N 3.09Å; V164-L168 HydrophobicContact CG1-CD1 4.5Å
165	C	90.8	Very high	83.3	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-69	-37.7	-165.1	-58.6	0	0	0	0	113.8	L160 D161 N167 L168 I173 C176 K177	L160-C165 PolarHBondContact O-N 2.04Å; D161-C165 PolarHBondContact O-N 3.48Å; C165-N167 PolarHBondContact O-N 2.9Å; C165-L168 PolarHBondContact O-N 3.39Å; C165-I173 WeakPolarHBondContact O-CG1 3.3Å; C165-I173 WeakPolarHBondContact O-CG2 3.44Å; C165-C176 WeakPolarHBondContact CA-SG 3.45Å; C165-C176 HydrophobicContact CB-CB 3.61Å; C165-C176 WeakPolarHBondContact CB-SG 3.4Å; C165-C176 WeakPolarHBondContact SG-CB 3.47Å; C165-C176 CovalentContact SG-SG 2.04Å; C165-C176 PolarHBondContact SG-SG 2.81Å; C165-K177 HydrophobicContact CB-CG 3.74Å; C165-K177 PolarHBondContact SG-N 3.11Å
166	N	91	Very high	84	Confident	85 Å²	85	79 Å²	79	46%	0.455	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-69.2	-17	175.6	-68.6	-16.8	0	0	0	113.6	D161 V164 K177	D161-N166 WeakPolarHBondContact O-CB 3.32Å; D161-N166 PolarHBondContact O-N 3.2Å; D161-N166 PolarHBondContact O-ND2 2.77Å; D161-N166 PolarHBondContact O-OD1 2.96Å; V164-N166 PolarHBondContact O-N 3.49Å; N166-K177 VanDerWaalsContact OD1-CE 3.27Å; N166-K177 WeakPolarHBondContact OD1-CE 3.41Å; N166-K177 PolarHBondContact OD1-NZ 3.01Å
167	N	87.3	Confident	84.8	Confident	123 Å²	123	78.6 Å²	78.6	66%	0.658	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-96.1	1	-179.4	-70.5	-49.6	0	0	0	113.7	E162 L163 V164 C165	E162-N167 PolarHBondContact O-ND2 3.13Å; L163-N167 PolarHBondContact O-ND2 3.23Å; V164-N167 PolarHBondContact O-N 3.05Å; V164-N167 VanDerWaalsContact O-N 3.09Å; C165-N167 PolarHBondContact O-N 2.9Å
168	L	82	Confident	85.2	Confident	61 Å²	61	81.6 Å²	81.6	32%	0.319	44%	0.442	S	S	.	.	S	Bend	trans	-88.7	154.4	176.9	-68.7	169.8	0	0	0	111.9	V164 C165 I172 I173 C176	V164-L168 HydrophobicContact CG1-CD1 4.5Å; C165-L168 PolarHBondContact O-N 3.39Å; L168-I172 HydrophobicContact CB-CB 4.22Å; L168-I172 HydrophobicContact CB-CG2 4.45Å; L168-I172 HydrophobicContact CD1-CG2 3.93Å; L168-I173 HydrophobicContact CB-CG1 4.49Å; L168-I173 WeakPolarHBondContact O-CD1 3.48Å; L168-I173 VanDerWaalsContact O-CG1 3.32Å; L168-I173 WeakPolarHBondContact O-CG1 3.47Å; L168-C176 HydrophobicContact CD1-CB 3.65Å
169	P	82.2	Confident	85.2	Confident	90 Å²	90	82.3 Å²	82.3	58%	0.584	44%	0.438	S	S	*	.			trans	-51.7	142.2	170.3	-27.3	35.2	0	0	0	112.5	E171 I172 I173	P169-E171 VanDerWaalsContact C-N 3.25Å; P169-E171 PolarHBondContact O-N 2.87Å; P169-I172 HydrophobicContact CB-CD1 4.46Å; P169-I172 HydrophobicContact CG-CD1 4.42Å; P169-I172 WeakPolarHBondContact O-CB 3.39Å; P169-I172 PolarHBondContact O-N 2.94Å; P169-I173 PolarHBondContact O-N 2.91Å
170	G	74.2	Confident	85.4	Confident	60 Å²	60	77.3 Å²	77.3	62%	0.619	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.9	-163.9	0	0	0	0	0	116.7	I172	G170-I172 VanDerWaalsContact C-N 3.3Å; G170-I172 PolarHBondContact O-N 3.47Å
171	E	82.4	Confident	85.5	Confident	192 Å²	192	78.4 Å²	78.4	90%	0.897	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.1	178	-60.8	-178.4	173.4	0	0	113.3	P169	P169-E171 VanDerWaalsContact C-N 3.25Å; P169-E171 PolarHBondContact O-N 2.87Å
172	I	80.8	Confident	85.1	Confident	76 Å²	76	80.7 Å²	80.7	39%	0.39	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-25.3	-175.9	-47.2	-178.3	0	0	0	111.3	L168 P169 G170 Y175 C176	L168-I172 HydrophobicContact CB-CB 4.22Å; L168-I172 HydrophobicContact CB-CG2 4.45Å; L168-I172 HydrophobicContact CD1-CG2 3.93Å; P169-I172 HydrophobicContact CB-CD1 4.46Å; P169-I172 HydrophobicContact CG-CD1 4.42Å; P169-I172 WeakPolarHBondContact O-CB 3.39Å; P169-I172 PolarHBondContact O-N 2.94Å; G170-I172 VanDerWaalsContact C-N 3.3Å; G170-I172 PolarHBondContact O-N 3.47Å; I172-Y175 WeakPolarHBondContact O-CB 3.16Å; I172-Y175 PolarHBondContact O-N 2.85Å; I172-Y175 VanDerWaalsContact O-N 3.09Å; I172-C176 PolarHBondContact O-N 2.99Å
173	I	86.9	Confident	84.8	Confident	44 Å²	44	78.6 Å²	78.6	23%	0.226	43%	0.427	C	S	.	.	H	α-helix	trans	-49.6	-51.8	-178.3	-52.7	-175.7	0	0	0	111.9	C165 L168 P169 Y175 C176 K177	C165-I173 WeakPolarHBondContact O-CG1 3.3Å; C165-I173 WeakPolarHBondContact O-CG2 3.44Å; L168-I173 HydrophobicContact CB-CG1 4.49Å; L168-I173 WeakPolarHBondContact O-CD1 3.48Å; L168-I173 VanDerWaalsContact O-CG1 3.32Å; L168-I173 WeakPolarHBondContact O-CG1 3.47Å; P169-I173 PolarHBondContact O-N 2.91Å; I173-Y175 VanDerWaalsContact C-N 3.31Å; I173-Y175 PolarHBondContact O-N 3.17Å; I173-C176 PolarHBondContact O-N 3.13Å; I173-K177 HydrophobicContact CG2-CD 4.19Å; I173-K177 VanDerWaalsContact CG2-CE 3.5Å; I173-K177 HydrophobicContact CG2-CG 4.34Å; I173-K177 WeakPolarHBondContact O-CG 3.43Å; I173-K177 PolarHBondContact O-N 2.71Å
174	P	88.7	Confident	84.7	Confident	87 Å²	87	73.8 Å²	73.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-64.6	-34.7	-177.5	-19	33.2	0	0	0	113.1	N178	P174-N178 WeakPolarHBondContact O-CB 3.41Å; P174-N178 PolarHBondContact O-N 3.18Å; P174-N178 VanDerWaalsContact O-N 3.15Å
175	Y	85.6	Confident	84.1	Confident	140 Å²	140	73 Å²	73	55%	0.549	40%	0.397	S	S	.	.	H	α-helix	trans	-67.6	-41.9	176.2	176.7	-96.6	0	0	0	111.3	I172 I173 N178 L179	I172-Y175 WeakPolarHBondContact O-CB 3.16Å; I172-Y175 PolarHBondContact O-N 2.85Å; I172-Y175 VanDerWaalsContact O-N 3.09Å; I173-Y175 VanDerWaalsContact C-N 3.31Å; I173-Y175 PolarHBondContact O-N 3.17Å; Y175-N178 PolarHBondContact O-N 3.2Å; Y175-L179 WeakPolarHBondContact O-CB 3.49Å; Y175-L179 PolarHBondContact O-N 3.12Å
176	C	89.1	Confident	83.1	Confident	12 Å²	12	79 Å²	79	8%	0.081	42%	0.421	C	S	.	.	H	α-helix	trans	-61.7	-51	176.3	-176.9	0	0	0	0	111.8	C165 L168 I172 I173 N178 L179 V180	C165-C176 WeakPolarHBondContact CA-SG 3.45Å; C165-C176 HydrophobicContact CB-CB 3.61Å; C165-C176 WeakPolarHBondContact CB-SG 3.4Å; C165-C176 WeakPolarHBondContact SG-CB 3.47Å; C165-C176 CovalentContact SG-SG 2.04Å; C165-C176 PolarHBondContact SG-SG 2.81Å; L168-C176 HydrophobicContact CD1-CB 3.65Å; I172-C176 PolarHBondContact O-N 2.99Å; I173-C176 PolarHBondContact O-N 3.13Å; C176-N178 VanDerWaalsContact C-N 3.28Å; C176-N178 PolarHBondContact O-N 2.83Å; C176-L179 WeakPolarHBondContact O-CA 3.24Å; C176-L179 WeakPolarHBondContact O-CB 3.48Å; C176-L179 PolarHBondContact O-N 2.9Å; C176-V180 WeakPolarHBondContact O-CG2 3.35Å; C176-V180 PolarHBondContact O-N 2.98Å
177	K	91.2	Very high	82.1	Confident	56 Å²	56	78.8 Å²	78.8	24%	0.243	42%	0.419	C	S	.	.	H	α-helix	trans	-59.8	-39.7	179.9	-57.7	-167.1	174.7	-119.4	0	111.8	D161 C165 N166 I173 V180 N181	D161-K177 VanDerWaalsContact OD1-CG 3.23Å; D161-K177 WeakPolarHBondContact OD1-CG 3.5Å; D161-K177 VanDerWaalsContact OD2-CD 3.24Å; D161-K177 WeakPolarHBondContact OD2-CD 3.29Å; D161-K177 WeakPolarHBondContact OD2-CE 3.48Å; D161-K177 IonicContact OD2-NZ 3.26Å; D161-K177 PolarHBondContact OD2-NZ 3.23Å; C165-K177 HydrophobicContact CB-CG 3.74Å; C165-K177 PolarHBondContact SG-N 3.11Å; N166-K177 VanDerWaalsContact OD1-CE 3.27Å; N166-K177 WeakPolarHBondContact OD1-CE 3.41Å; N166-K177 PolarHBondContact OD1-NZ 3.01Å; I173-K177 HydrophobicContact CG2-CD 4.19Å; I173-K177 VanDerWaalsContact CG2-CE 3.5Å; I173-K177 HydrophobicContact CG2-CG 4.34Å; I173-K177 WeakPolarHBondContact O-CG 3.43Å; I173-K177 PolarHBondContact O-N 2.71Å; K177-V180 PolarHBondContact O-N 3.06Å; K177-N181 WeakPolarHBondContact O-CB 3.25Å; K177-N181 PolarHBondContact O-N 3.01Å; K177-N181 PolarHBondContact O-ND2 3.29Å
178	N	88.7	Confident	81.3	Confident	97 Å²	97	74.3 Å²	74.3	52%	0.519	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-37.8	173	-178.5	83.2	0	0	0	112.9	P174 Y175 C176 V182	P174-N178 WeakPolarHBondContact O-CB 3.41Å; P174-N178 PolarHBondContact O-N 3.18Å; P174-N178 VanDerWaalsContact O-N 3.15Å; Y175-N178 PolarHBondContact O-N 3.2Å; C176-N178 VanDerWaalsContact C-N 3.28Å; C176-N178 PolarHBondContact O-N 2.83Å; N178-V182 WeakPolarHBondContact O-CB 3.38Å; N178-V182 VanDerWaalsContact O-CG2 3.23Å; N178-V182 WeakPolarHBondContact O-CG2 3.24Å; N178-V182 PolarHBondContact O-N 3.19Å; N178-V182 VanDerWaalsContact O-N 3.15Å
179	L	83.9	Confident	80.6	Confident	72 Å²	72	74.4 Å²	74.4	38%	0.377	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-44.9	175.9	-165.5	78.9	0	0	0	111.1	Y175 C176 V182 H183	Y175-L179 WeakPolarHBondContact O-CB 3.49Å; Y175-L179 PolarHBondContact O-N 3.12Å; C176-L179 WeakPolarHBondContact O-CA 3.24Å; C176-L179 WeakPolarHBondContact O-CB 3.48Å; C176-L179 PolarHBondContact O-N 2.9Å; L179-V182 PolarHBondContact O-N 3.26Å; L179-H183 VanDerWaalsContact CD1-CD2 3.48Å; L179-H183 WeakPolarHBondContact CD1-CD2 3.44Å; L179-H183 WeakPolarHBondContact O-CB 3.33Å; L179-H183 PolarHBondContact O-CD2 2.73Å; L179-H183 VanDerWaalsContact O-CD2 3.27Å; L179-H183 PolarHBondContact O-N 3.47Å
180	V	85.6	Confident	79.7	Confident	9 Å²	9	73.3 Å²	73.3	6%	0.055	38%	0.382	C	S	.	.	H	α-helix	trans	-58.1	-57	176.9	170.5	0	0	0	0	110.6	E157 L160 C176 K177 V182 H183 I184	E157-V180 HydrophobicContact CB-CG1 3.91Å; E157-V180 HydrophobicContact CG-CG1 3.94Å; L160-V180 HydrophobicContact CB-CG1 3.93Å; L160-V180 HydrophobicContact CB-CG2 3.73Å; L160-V180 HydrophobicContact CD2-CG2 3.93Å; L160-V180 HydrophobicContact CG-CG2 4.49Å; C176-V180 WeakPolarHBondContact O-CG2 3.35Å; C176-V180 PolarHBondContact O-N 2.98Å; K177-V180 PolarHBondContact O-N 3.06Å; V180-V182 PolarHBondContact O-N 3.26Å; V180-H183 PolarHBondContact O-N 3.12Å; V180-I184 HydrophobicContact CG1-CG1 4.14Å; V180-I184 WeakPolarHBondContact O-CB 3.45Å; V180-I184 WeakPolarHBondContact O-CG1 3.17Å; V180-I184 PolarHBondContact O-N 3.16Å
181	N	82.4	Confident	79.2	Confident	85 Å²	85	73.4 Å²	73.4	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-24.5	-177.7	-64.4	-13	0	0	0	114.3	K177	K177-N181 WeakPolarHBondContact O-CB 3.25Å; K177-N181 PolarHBondContact O-N 3.01Å; K177-N181 PolarHBondContact O-ND2 3.29Å
182	V	80.1	Confident	78.2	Confident	80 Å²	80	66.2 Å²	66.2	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-89.5	-38.9	178.3	169.7	0	0	0	0	112.2	N178 L179 V180	N178-V182 WeakPolarHBondContact O-CB 3.38Å; N178-V182 VanDerWaalsContact O-CG2 3.23Å; N178-V182 WeakPolarHBondContact O-CG2 3.24Å; N178-V182 PolarHBondContact O-N 3.19Å; N178-V182 VanDerWaalsContact O-N 3.15Å; L179-V182 PolarHBondContact O-N 3.26Å; V180-V182 PolarHBondContact O-N 3.26Å
183	H	79.5	Confident	77.4	Confident	88 Å²	88	68.9 Å²	68.9	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-94.6	-31.2	-170.5	-72.6	-81.9	0	0	0	114.3	L179 V180 Y186 I187	L179-H183 VanDerWaalsContact CD1-CD2 3.48Å; L179-H183 WeakPolarHBondContact CD1-CD2 3.44Å; L179-H183 WeakPolarHBondContact O-CB 3.33Å; L179-H183 PolarHBondContact O-CD2 2.73Å; L179-H183 VanDerWaalsContact O-CD2 3.27Å; L179-H183 PolarHBondContact O-N 3.47Å; V180-H183 PolarHBondContact O-N 3.12Å; H183-Y186 PolarHBondContact O-N 2.89Å; H183-I187 HydrophobicContact CB-CD1 4.32Å; H183-I187 WeakPolarHBondContact O-CB 3.33Å; H183-I187 WeakPolarHBondContact O-CD1 2.98Å; H183-I187 VanDerWaalsContact O-CG1 3.25Å; H183-I187 WeakPolarHBondContact O-CG1 3.47Å; H183-I187 PolarHBondContact O-N 3.06Å
184	I	81	Confident	76.2	Confident	21 Å²	21	72 Å²	72	11%	0.108	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-51	-178.8	-64.9	-62.4	0	0	0	111.8	A153 I156 E157 L160 V180 Y186 I187 L188	A153-I184 HydrophobicContact CB-CG2 4.24Å; I156-I184 HydrophobicContact CB-CG2 3.97Å; I156-I184 HydrophobicContact CG2-CD1 3.93Å; I156-I184 HydrophobicContact CG2-CG1 4.27Å; I156-I184 HydrophobicContact CG2-CG2 3.67Å; E157-I184 HydrophobicContact CG-CB 4.07Å; E157-I184 HydrophobicContact CG-CG1 4.47Å; E157-I184 HydrophobicContact CG-CG2 4.14Å; L160-I184 HydrophobicContact CD1-CD1 4.48Å; L160-I184 HydrophobicContact CD2-CD1 4.03Å; V180-I184 HydrophobicContact CG1-CG1 4.14Å; V180-I184 WeakPolarHBondContact O-CB 3.45Å; V180-I184 WeakPolarHBondContact O-CG1 3.17Å; V180-I184 PolarHBondContact O-N 3.16Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.16Å; I184-I187 PolarHBondContact O-N 2.89Å; I184-L188 HydrophobicContact CG2-CD1 3.9Å; I184-L188 HydrophobicContact CG2-CG 4.46Å; I184-L188 WeakPolarHBondContact O-CG 3.27Å; I184-L188 PolarHBondContact O-N 3.33Å; I184-L188 VanDerWaalsContact O-N 3.08Å
185	P	72.6	Confident	75.1	Confident	54 Å²	54	72.6 Å²	72.6	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-57.6	-37.9	176	-26.5	35.7	0	0	0	113.5	A153 E157 H189	A153-P185 HydrophobicContact CB-CG 4.24Å; E157-P185 WeakPolarHBondContact OE1-CD 3.2Å; E157-P185 VanDerWaalsContact OE1-CG 3.22Å; E157-P185 WeakPolarHBondContact OE1-CG 3.01Å; P185-H189 WeakPolarHBondContact O-CB 3.18Å; P185-H189 PolarHBondContact O-N 2.96Å
186	Y	71	Confident	74.7	Confident	128 Å²	128	67.7 Å²	67.7	50%	0.502	34%	0.344	S	S	.	.	H	α-helix	trans	-72.5	-35.4	-179	-176.2	-108.7	0	0	0	113	H183 I184 I190	H183-Y186 PolarHBondContact O-N 2.89Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.16Å; Y186-I190 HydrophobicContact CD1-CD1 3.88Å; Y186-I190 HydrophobicContact CE1-CD1 3.37Å; Y186-I190 HydrophobicContact CE1-CG1 4.34Å; Y186-I190 HydrophobicContact CE2-CD1 4.44Å; Y186-I190 WeakPolarHBondContact O-CG1 3.39Å; Y186-I190 PolarHBondContact O-N 3.43Å
187	I	69.5	Low	74.3	Confident	80 Å²	80	68 Å²	68	41%	0.41	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-46.1	174.4	-71.9	164.2	0	0	0	110.1	H183 I184 H189 I190 I191	H183-I187 HydrophobicContact CB-CD1 4.32Å; H183-I187 WeakPolarHBondContact O-CB 3.33Å; H183-I187 WeakPolarHBondContact O-CD1 2.98Å; H183-I187 VanDerWaalsContact O-CG1 3.25Å; H183-I187 WeakPolarHBondContact O-CG1 3.47Å; H183-I187 PolarHBondContact O-N 3.06Å; I184-I187 PolarHBondContact O-N 2.89Å; I187-H189 PolarHBondContact O-N 3.33Å; I187-I190 PolarHBondContact O-N 3.18Å; I187-I190 VanDerWaalsContact O-N 3.16Å; I187-I191 HydrophobicContact CG2-CD1 3.84Å; I187-I191 WeakPolarHBondContact O-CG1 3.32Å; I187-I191 PolarHBondContact O-N 3.44Å
188	L	70.5	Confident	73.6	Confident	29 Å²	29	68.3 Å²	68.3	15%	0.152	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44.9	177.7	-61.5	168.6	0	0	0	111.2	I147 A153 I156 I184 I190 I191 S192	I147-L188 HydrophobicContact CD1-CD2 4.31Å; I147-L188 HydrophobicContact CG1-CD2 4.11Å; I147-L188 HydrophobicContact CG2-CB 4.35Å; I147-L188 HydrophobicContact CG2-CD2 3.87Å; A153-L188 HydrophobicContact CB-CD1 3.66Å; I156-L188 HydrophobicContact CD1-CD1 4.29Å; I156-L188 HydrophobicContact CD1-CD2 4.09Å; I184-L188 HydrophobicContact CG2-CD1 3.9Å; I184-L188 HydrophobicContact CG2-CG 4.46Å; I184-L188 WeakPolarHBondContact O-CG 3.27Å; I184-L188 PolarHBondContact O-N 3.33Å; I184-L188 VanDerWaalsContact O-N 3.08Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 PolarHBondContact O-N 3.09Å; L188-I191 PolarHBondContact O-N 2.99Å; L188-I191 VanDerWaalsContact O-N 3.13Å; L188-S192 PolarHBondContact O-N 2.66Å; L188-S192 PolarHBondContact O-OG 2.72Å
189	H	66	Low	73	Confident	63 Å²	63	67 Å²	67	29%	0.292	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-30.7	174.5	165.5	77.6	0	0	0	114	P185 I187 S192 E193 K194	P185-H189 WeakPolarHBondContact O-CB 3.18Å; P185-H189 PolarHBondContact O-N 2.96Å; I187-H189 PolarHBondContact O-N 3.33Å; H189-S192 PolarHBondContact O-OG 3.45Å; H189-E193 IonicContact CE1-OE1 3.94Å; H189-E193 PolarHBondContact CE1-OE1 2.99Å; H189-E193 IonicContact CE1-OE2 2.69Å; H189-E193 PolarHBondContact CE1-OE2 3.46Å; H189-E193 VanDerWaalsContact ND1-CD 3.33Å; H189-E193 IonicContact ND1-OE1 4Å; H189-E193 PolarHBondContact ND1-OE1 3.3Å; H189-E193 IonicContact ND1-OE2 2.59Å; H189-E193 WeakPolarHBondContact O-CB 3.48Å; H189-E193 PolarHBondContact O-N 3.02Å; H189-E193 VanDerWaalsContact O-N 3.11Å; H189-K194 WeakPolarHBondContact NE2-CE 2.96Å; H189-K194 PolarHBondContact NE2-NZ 3.1Å
190	I	63.8	Low	72.6	Confident	67 Å²	67	65.4 Å²	65.4	34%	0.344	33%	0.33	S	S	.	.	H	α-helix	trans	-67.8	-42.6	170.8	-78.4	170.8	0	0	0	111	Y186 I187 L188 K194	Y186-I190 HydrophobicContact CD1-CD1 3.88Å; Y186-I190 HydrophobicContact CE1-CD1 3.37Å; Y186-I190 HydrophobicContact CE1-CG1 4.34Å; Y186-I190 HydrophobicContact CE2-CD1 4.44Å; Y186-I190 WeakPolarHBondContact O-CG1 3.39Å; Y186-I190 PolarHBondContact O-N 3.43Å; I187-I190 PolarHBondContact O-N 3.18Å; I187-I190 VanDerWaalsContact O-N 3.16Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 PolarHBondContact O-N 3.09Å; I190-K194 HydrophobicContact CG1-CD 4.37Å; I190-K194 PolarHBondContact O-N 3.24Å
191	I	63.1	Low	72.2	Confident	62 Å²	62	65 Å²	65	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-68.7	-39.6	-177	-64.7	163.8	0	0	0	110.8	R144 I147 I187 L188	R144-I191 VanDerWaalsContact CZ-O 3.27Å; R144-I191 PolarHBondContact NE-O 3.31Å; R144-I191 PolarHBondContact NH2-O 2.62Å; I147-I191 HydrophobicContact CD1-CB 4.25Å; I147-I191 HydrophobicContact CD1-CD1 4.14Å; I147-I191 HydrophobicContact CD1-CG2 3.61Å; I187-I191 HydrophobicContact CG2-CD1 3.84Å; I187-I191 WeakPolarHBondContact O-CG1 3.32Å; I187-I191 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 2.99Å; L188-I191 VanDerWaalsContact O-N 3.13Å
192	S	63.4	Low	71.9	Confident	41 Å²	41	61.7 Å²	61.7	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-53.1	174.1	59.4	0	0	0	0	112.5	R144 L188 H189	R144-S192 PolarHBondContact NE-O 3.49Å; L188-S192 PolarHBondContact O-N 2.66Å; L188-S192 PolarHBondContact O-OG 2.72Å; H189-S192 PolarHBondContact O-OG 3.45Å
193	E	63.3	Low	71.4	Confident	131 Å²	131	62.9 Å²	62.9	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-93.8	-28	-165.9	-72.8	-177.3	-147.9	0	0	117.4	H189	H189-E193 IonicContact CE1-OE1 3.94Å; H189-E193 PolarHBondContact CE1-OE1 2.99Å; H189-E193 IonicContact CE1-OE2 2.69Å; H189-E193 PolarHBondContact CE1-OE2 3.46Å; H189-E193 VanDerWaalsContact ND1-CD 3.33Å; H189-E193 IonicContact ND1-OE1 4Å; H189-E193 PolarHBondContact ND1-OE1 3.3Å; H189-E193 IonicContact ND1-OE2 2.59Å; H189-E193 WeakPolarHBondContact O-CB 3.48Å; H189-E193 PolarHBondContact O-N 3.02Å; H189-E193 VanDerWaalsContact O-N 3.11Å
194	K	60.6	Low	70.8	Confident	109 Å²	109	63.9 Å²	63.9	47%	0.474	33%	0.328	S	S	.	.	S	Bend	trans	-108.2	0.9	-151.7	-57.7	-159	-179	174.6	0	118.4	H189 I190	H189-K194 WeakPolarHBondContact NE2-CE 2.96Å; H189-K194 PolarHBondContact NE2-NZ 3.1Å; I190-K194 HydrophobicContact CG1-CD 4.37Å; I190-K194 PolarHBondContact O-N 3.24Å
195	M	66.2	Low	69.8	Low	100 Å²	100	65.9 Å²	65.9	49%	0.493	35%	0.354	S	S	.	.			trans	-147.5	137	169	-67.2	-173.6	173.3	0	0	110.6	R144 E199 I200	R144-M195 PolarHBondContact NH2-O 2.83Å; M195-E199 HydrophobicContact CB-CB 4.38Å; M195-I200 HydrophobicContact CB-CD1 4.03Å; M195-I200 HydrophobicContact CB-CG1 3.63Å; M195-I200 HydrophobicContact CG-CG1 4.43Å; M195-I200 HydrophobicContact SD-CG1 4Å
196	S	77.9	Confident	69.7	Low	37 Å²	37	66.8 Å²	66.8	26%	0.259	36%	0.355	S	S	.	.			trans	-64.5	156.6	169.2	53.5	0	0	0	0	111.8	E198 E199 I200	S196-E198 PolarHBondContact O-N 2.99Å; S196-E199 PolarHBondContact N-OE2 3.34Å; S196-E199 VanDerWaalsContact N-OE2 3.15Å; S196-E199 PolarHBondContact O-N 3.3Å; S196-E199 WeakPolarHBondContact OG-CB 3.09Å; S196-E199 VanDerWaalsContact OG-CD 3.29Å; S196-E199 WeakPolarHBondContact OG-CG 3.23Å; S196-E199 PolarHBondContact OG-N 3.4Å; S196-E199 VanDerWaalsContact OG-N 3.13Å; S196-E199 PolarHBondContact OG-OE2 3.12Å; S196-I200 PolarHBondContact O-N 3.06Å
197	P	80	Confident	69.6	Low	18 Å²	18	61.2 Å²	61.2	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-54	-40.8	169.2	-21.6	32.4	0	0	0	111.7	K137 V140 N141 E199 I200 C201	K137-P197 HydrophobicContact CB-CB 3.97Å; K137-P197 HydrophobicContact CG-CB 4.01Å; V140-P197 HydrophobicContact CB-CB 4.37Å; V140-P197 HydrophobicContact CG1-CB 4.08Å; V140-P197 HydrophobicContact CG1-CG 4.37Å; N141-P197 WeakPolarHBondContact OD1-CG 3.44Å; P197-E199 VanDerWaalsContact C-N 3.33Å; P197-E199 PolarHBondContact O-N 3.02Å; P197-I200 PolarHBondContact O-N 3.21Å; P197-C201 VanDerWaalsContact O-CB 3.28Å; P197-C201 WeakPolarHBondContact O-CB 3.34Å; P197-C201 PolarHBondContact O-N 2.69Å; P197-C201 PolarHBondContact O-SG 3.42Å
198	E	76.9	Confident	69.4	Low	64 Å²	64	60.9 Å²	60.9	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-51.3	-47.6	170.5	-76	61.9	-147.4	0	0	112.5	K137 S196 A202 V210	K137-E198 WeakPolarHBondContact CD-OE1 3.28Å; K137-E198 WeakPolarHBondContact CE-OE1 3.33Å; K137-E198 IonicContact NZ-OE1 3.55Å; K137-E198 PolarHBondContact NZ-OE1 2.85Å; S196-E198 PolarHBondContact O-N 2.99Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 3.32Å; E198-V210 HydrophobicContact CB-CG2 4.26Å; E198-V210 HydrophobicContact CG-CG2 4.24Å
199	E	75.3	Confident	68.9	Low	68 Å²	68	62.4 Å²	62.4	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-41.5	-178.4	-77.7	166	133.5	0	0	112.6	M195 S196 P197 A202 T203 K211	M195-E199 HydrophobicContact CB-CB 4.38Å; S196-E199 PolarHBondContact N-OE2 3.34Å; S196-E199 VanDerWaalsContact N-OE2 3.15Å; S196-E199 PolarHBondContact O-N 3.3Å; S196-E199 WeakPolarHBondContact OG-CB 3.09Å; S196-E199 VanDerWaalsContact OG-CD 3.29Å; S196-E199 WeakPolarHBondContact OG-CG 3.23Å; S196-E199 PolarHBondContact OG-N 3.4Å; S196-E199 VanDerWaalsContact OG-N 3.13Å; S196-E199 PolarHBondContact OG-OE2 3.12Å; P197-E199 VanDerWaalsContact C-N 3.33Å; P197-E199 PolarHBondContact O-N 3.02Å; E199-A202 PolarHBondContact O-N 3.4Å; E199-T203 WeakPolarHBondContact O-CB 3.47Å; E199-T203 PolarHBondContact O-N 3.49Å; E199-T203 PolarHBondContact O-OG1 3.23Å; E199-K211 IonicContact OE1-NZ 3.88Å; E199-K211 PolarHBondContact OE1-NZ 2.03Å
200	I	75.2	Confident	68.2	Low	40 Å²	40	63.6 Å²	63.6	21%	0.205	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-51	174.9	-67.2	174.5	0	0	0	109.6	V140 M195 S196 P197 A202 T203 L204	V140-I200 HydrophobicContact CG1-CD1 3.78Å; V140-I200 HydrophobicContact CG2-CB 4.26Å; V140-I200 HydrophobicContact CG2-CG2 3.73Å; M195-I200 HydrophobicContact CB-CD1 4.03Å; M195-I200 HydrophobicContact CB-CG1 3.63Å; M195-I200 HydrophobicContact CG-CG1 4.43Å; M195-I200 HydrophobicContact SD-CG1 4Å; S196-I200 PolarHBondContact O-N 3.06Å; P197-I200 PolarHBondContact O-N 3.21Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.26Å; I200-T203 PolarHBondContact O-N 3.16Å; I200-T203 VanDerWaalsContact O-N 3.14Å; I200-L204 HydrophobicContact CG2-CD1 4.04Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.35Å
201	C	77.7	Confident	67.3	Low	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-69.5	-28.2	-178.6	-62.1	0	0	0	0	113.1	C136 K137 P197 G205 L206 C207	C136-C201 HydrophobicContact CB-CB 3.8Å; C136-C201 WeakPolarHBondContact CB-SG 3.33Å; C136-C201 PolarHBondContact O-SG 3.17Å; C136-C201 WeakPolarHBondContact SG-CA 3.26Å; C136-C201 WeakPolarHBondContact SG-CB 3.43Å; C136-C201 CovalentContact SG-SG 2.03Å; C136-C201 PolarHBondContact SG-SG 3.04Å; K137-C201 PolarHBondContact N-SG 3.13Å; P197-C201 VanDerWaalsContact O-CB 3.28Å; P197-C201 WeakPolarHBondContact O-CB 3.34Å; P197-C201 PolarHBondContact O-N 2.69Å; P197-C201 PolarHBondContact O-SG 3.42Å; C201-G205 PolarHBondContact O-N 3.22Å; C201-L206 PolarHBondContact O-N 3.04Å; C201-C207 HydrophobicContact CB-CB 4Å; C201-C207 WeakPolarHBondContact CB-SG 3.46Å; C201-C207 PolarHBondContact O-N 3.21Å
202	A	76.9	Confident	66.2	Low	15 Å²	15	68.7 Å²	68.7	12%	0.124	38%	0.38	C	S	.	.	H	α-helix	trans	-73.1	-34.1	170.5	0	0	0	0	0	112.9	E198 E199 I200 L204 G205 C207 N209	E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 3.32Å; E199-A202 PolarHBondContact O-N 3.4Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.26Å; A202-L204 VanDerWaalsContact C-N 3.34Å; A202-G205 PolarHBondContact O-N 3.26Å; A202-C207 WeakPolarHBondContact CA-O 3.35Å; A202-C207 HydrophobicContact CB-CB 4.32Å; A202-N209 HydrophobicContact CB-CB 3.82Å
203	T	68.2	Low	64.9	Low	105 Å²	105	73.2 Å²	73.2	64%	0.644	39%	0.394	S	S	*	.	H	α-helix	trans	-68.9	-33.1	172.3	-64.6	0	0	0	0	111.8	E199 I200 G205	E199-T203 WeakPolarHBondContact O-CB 3.47Å; E199-T203 PolarHBondContact O-N 3.49Å; E199-T203 PolarHBondContact O-OG1 3.23Å; I200-T203 PolarHBondContact O-N 3.16Å; I200-T203 VanDerWaalsContact O-N 3.14Å; T203-G205 PolarHBondContact O-N 3.17Å
204	L	67.9	Low	63.7	Low	110 Å²	110	75.2 Å²	75.2	58%	0.576	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.2	170.7	-65.4	171.2	0	0	0	113.8	I200 A202 L206	I200-L204 HydrophobicContact CG2-CD1 4.04Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.35Å; A202-L204 VanDerWaalsContact C-N 3.34Å; L204-L206 HydrophobicContact CB-CD1 4.01Å; L204-L206 HydrophobicContact CB-CG 3.98Å; L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 PolarHBondContact O-N 3.13Å
205	G	60.3	Low	62.7	Low	63 Å²	63	73.2 Å²	73.2	65%	0.649	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	5.6	-177.1	0	0	0	0	0	115.1	C201 A202 T203	C201-G205 PolarHBondContact O-N 3.22Å; A202-G205 PolarHBondContact O-N 3.26Å; T203-G205 PolarHBondContact O-N 3.17Å
206	L	69.4	Low	61.3	Low	72 Å²	72	70.6 Å²	70.6	38%	0.377	39%	0.386	S	S	.	.	S	Bend	trans	-84.1	-30.4	-177.8	-57.5	176.2	0	0	0	112.2	L132 C133 C136 C201 L204	L132-L206 HydrophobicContact CB-CD2 4.28Å; C133-L206 WeakPolarHBondContact CA-O 3.07Å; C133-L206 WeakPolarHBondContact CB-O 3.34Å; C133-L206 PolarHBondContact N-O 3.05Å; C136-L206 HydrophobicContact CB-CB 4.19Å; C136-L206 HydrophobicContact CB-CD1 3.78Å; C201-L206 PolarHBondContact O-N 3.04Å; L204-L206 HydrophobicContact CB-CD1 4.01Å; L204-L206 HydrophobicContact CB-CG 3.98Å; L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 PolarHBondContact O-N 3.13Å
207	C	68.7	Low	59.4	Low	12 Å²	12	70.9 Å²	70.9	8%	0.081	39%	0.391	C	S	.	.	S	Bend	trans	-106.5	153.5	168.7	-71.8	0	0	0	0	112.1	C133 C201 A202 N209	C133-C207 WeakPolarHBondContact CA-SG 3.31Å; C133-C207 HydrophobicContact CB-CB 3.98Å; C133-C207 WeakPolarHBondContact CB-SG 3.44Å; C133-C207 VanDerWaalsContact SG-CA 3.54Å; C133-C207 WeakPolarHBondContact SG-CB 3.39Å; C133-C207 CovalentContact SG-SG 2.04Å; C133-C207 PolarHBondContact SG-SG 3.31Å; C201-C207 HydrophobicContact CB-CB 4Å; C201-C207 WeakPolarHBondContact CB-SG 3.46Å; C201-C207 PolarHBondContact O-N 3.21Å; A202-C207 WeakPolarHBondContact CA-O 3.35Å; A202-C207 HydrophobicContact CB-CB 4.32Å; C207-N209 PolarHBondContact O-N 2.95Å
208	V	66.8	Low	57.4	Low	73 Å²	73	73.9 Å²	73.9	44%	0.442	41%	0.406	S	S	.	.			trans	-69.6	124.5	162.2	-178.9	0	0	0	0	108.3	V210	V208-V210 PolarHBondContact O-N 3.41Å
209	N	58.7	Low	55.5	Low	60 Å²	60	75.1 Å²	75.1	32%	0.321	41%	0.41	S	S	.	.			trans	-59.3	125.1	176.7	-171.6	-37.7	0	0	0	110	A202 C207 K211 T212 K213	A202-N209 HydrophobicContact CB-CB 3.82Å; C207-N209 PolarHBondContact O-N 2.95Å; N209-K211 PolarHBondContact O-N 3.04Å; N209-K211 WeakPolarHBondContact OD1-CB 3.07Å; N209-K211 PolarHBondContact OD1-N 3.11Å; N209-T212 CarbonylContact O-C 3.58Å; N209-T212 VanDerWaalsContact O-CA 3.27Å; N209-T212 WeakPolarHBondContact O-CA 3.34Å; N209-T212 PolarHBondContact O-N 3.5Å; N209-T212 PolarHBondContact O-OG1 3.25Å; N209-K213 PolarHBondContact O-N 2.86Å
210	V	51.2	Low	53.7	Low	89 Å²	89	77.1 Å²	77.1	54%	0.539	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-67.7	-26.2	-173.7	-168.2	0	0	0	0	111.9	E198 V208 T212 K213	E198-V210 HydrophobicContact CB-CG2 4.26Å; E198-V210 HydrophobicContact CG-CG2 4.24Å; V208-V210 PolarHBondContact O-N 3.41Å; V210-T212 PolarHBondContact O-N 3.43Å; V210-K213 PolarHBondContact O-N 2.89Å
211	K	46.4	Very low	51.9	Low	163 Å²	163	80.4 Å²	80.4	71%	0.709	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-68.9	-10.2	170.2	-65.8	158.5	-179.7	160.3	0	112.4	E199 N209	E199-K211 IonicContact OE1-NZ 3.88Å; E199-K211 PolarHBondContact OE1-NZ 2.03Å; N209-K211 PolarHBondContact O-N 3.04Å; N209-K211 WeakPolarHBondContact OD1-CB 3.07Å; N209-K211 PolarHBondContact OD1-N 3.11Å
212	T	39	Very low	49.8	Very low	73 Å²	73	86.3 Å²	86.3	45%	0.448	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-124	38.7	167.1	61	0	0	0	0	111.6	N209 V210 F214	N209-T212 CarbonylContact O-C 3.58Å; N209-T212 VanDerWaalsContact O-CA 3.27Å; N209-T212 WeakPolarHBondContact O-CA 3.34Å; N209-T212 PolarHBondContact O-N 3.5Å; N209-T212 PolarHBondContact O-OG1 3.25Å; V210-T212 PolarHBondContact O-N 3.43Å; T212-F214 PolarHBondContact O-N 2.91Å
213	K	36.9	Very low	47.8	Very low	135 Å²	135	94.3 Å²	94.3	59%	0.587	51%	0.509	S	S	*	.			trans	-61.6	114.2	165.2	-146.3	-174.3	-172.1	-165.9	0	107.1	N209 V210 T215 N218	N209-K213 PolarHBondContact O-N 2.86Å; V210-K213 PolarHBondContact O-N 2.89Å; K213-T215 VanDerWaalsContact C-N 3.27Å; K213-T215 PolarHBondContact O-N 2.87Å; K213-N218 PolarHBondContact O-ND2 2.61Å
214	F	38	Very low	46.1	Very low	174 Å²	174	93.3 Å²	93.3	76%	0.763	52%	0.52	S	S	*	.			trans	-75.7	76.3	-173.3	-102.3	-93.9	0	0	0	110.8	T212	T212-F214 PolarHBondContact O-N 2.91Å
215	T	38.5	Very low	44.5	Very low	66 Å²	66	97 Å²	97	41%	0.405	53%	0.531	S	S	.	.			trans	-76	150.1	162.6	60	0	0	0	0	109.4	K213 A217 N218	K213-T215 VanDerWaalsContact C-N 3.27Å; K213-T215 PolarHBondContact O-N 2.87Å; T215-A217 PolarHBondContact O-N 2.73Å; T215-N218 WeakPolarHBondContact O-CB 3.28Å; T215-N218 PolarHBondContact O-N 2.03Å; T215-N218 VanDerWaalsContact OG1-CG 3.26Å; T215-N218 PolarHBondContact OG1-N 3.47Å; T215-N218 PolarHBondContact OG1-ND2 2.85Å
216	L	37.6	Very low	43.2	Very low	45 Å²	45	103.2 Å²	103.2	24%	0.236	54%	0.54	C	S	.	.	H	α-helix	trans	-60.3	-32.5	176.9	-142.7	71.2	0	0	0	112.1	T83 N218 F219 M220	T83-L216 HydrophobicContact CG2-CD1 3.96Å; L216-N218 VanDerWaalsContact C-N 3.27Å; L216-N218 PolarHBondContact O-N 2.86Å; L216-F219 WeakPolarHBondContact O-CB 2.97Å; L216-F219 PolarHBondContact O-N 3.07Å; L216-M220 PolarHBondContact O-N 2.99Å
217	A	37	Very low	41.5	Very low	44 Å²	44	105.8 Å²	105.8	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-57.5	-33.3	172.3	0	0	0	0	0	114	T215 F219 M220 T221	T215-A217 PolarHBondContact O-N 2.73Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.44Å; A217-M220 PolarHBondContact O-N 3.47Å; A217-T221 PolarHBondContact O-OG1 2.93Å
218	N	38.6	Very low	39.8	Very low	81 Å²	81	110.9 Å²	110.9	43%	0.433	59%	0.589	S	S	.	*	H	α-helix	trans	-73.7	-17.6	176.4	-73.5	-15.9	0	0	0	112.8	K213 T215 L216	K213-N218 PolarHBondContact O-ND2 2.61Å; T215-N218 WeakPolarHBondContact O-CB 3.28Å; T215-N218 PolarHBondContact O-N 2.03Å; T215-N218 VanDerWaalsContact OG1-CG 3.26Å; T215-N218 PolarHBondContact OG1-N 3.47Å; T215-N218 PolarHBondContact OG1-ND2 2.85Å; L216-N218 VanDerWaalsContact C-N 3.27Å; L216-N218 PolarHBondContact O-N 2.86Å
219	F	38.5	Very low	38.3	Very low	89 Å²	89	116.8 Å²	116.8	39%	0.39	61%	0.612	S	S	.	*	H	α-helix	trans	-81.6	-43.6	172.3	-160.3	-76.9	0	0	0	111.3	T83 G84 L216 A217 T221	T83-F219 WeakPolarHBondContact O-CD1 3.25Å; G84-F219 VanDerWaalsContact C-CE1 3.43Å; G84-F219 WeakPolarHBondContact O-CE1 3.44Å; L216-F219 WeakPolarHBondContact O-CB 2.97Å; L216-F219 PolarHBondContact O-N 3.07Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.44Å; F219-T221 PolarHBondContact O-N 3.29Å; F219-T221 VanDerWaalsContact O-N 3.15Å
220	M	35.6	Very low	37.1	Very low	111 Å²	111	120.4 Å²	120.4	55%	0.547	63%	0.632	S	S	.	*	H	α-helix	trans	-70.2	-9	-174.5	-61.2	-163	-55.6	0	0	115.6	L216 A217	L216-M220 PolarHBondContact O-N 2.99Å; A217-M220 PolarHBondContact O-N 3.47Å
221	T	39	Very low	36.3	Very low	108 Å²	108	127.2 Å²	127.2	66%	0.663	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	0.1	-173.9	50	0	0	0	0	114.6	A217 F219	A217-T221 PolarHBondContact O-OG1 2.93Å; F219-T221 PolarHBondContact O-N 3.29Å; F219-T221 VanDerWaalsContact O-N 3.15Å
222	N	32.5	Very low	35.7	Very low	124 Å²	124	126.3 Å²	126.3	66%	0.663	64%	0.644	S	S	*	*			trans	-110.9	93	176.3	-85.2	-76.8	0	0	0	111.9
223	E	36	Very low	35.1	Very low	183 Å²	183	131 Å²	131	86%	0.855	66%	0.658	S	S	*	*			trans	-56.6	144.5	162	-67.9	-170.1	133.6	0	0	111.1	K225	E223-K225 PolarHBondContact O-N 2.75Å
224	G	31.7	Very low	34.8	Very low	84 Å²	84	129.3 Å²	129.3	87%	0.866	66%	0.664	S	S	*	*			trans	-62.6	99.7	-161.6	0	0	0	0	0	115.5
225	K	34.8	Very low	34.3	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	66%	0.664	S	S	*	*			trans	-84.4	112.8	159.9	-72.2	178.6	-177.8	168.7	0	109.3	E223 C227	E223-K225 PolarHBondContact O-N 2.75Å; K225-C227 PolarHBondContact O-N 2.68Å
226	K	33.4	Very low	33.8	Very low	193 Å²	193	133.7 Å²	133.7	84%	0.839	68%	0.676	S	S	*	*			trans	-50.9	136.5	169	-68.7	-179.8	175.8	-178.2	0	109.7	N228	K226-N228 PolarHBondContact O-N 2.9Å
227	C	32.2	Very low	33.6	Very low	126 Å²	126	143 Å²	143	85%	0.851	71%	0.708	S	S	*	*			trans	-69.9	108.9	161.7	-64.1	0	0	0	0	108	K225	K225-C227 PolarHBondContact O-N 2.68Å
228	N	34.1	Very low	33.3	Very low	118 Å²	118	151.9 Å²	151.9	63%	0.631	73%	0.732	S	S	*	*			trans	-64.1	151.8	153.1	-82.3	30.2	0	0	0	108.5	K226 D230	K226-N228 PolarHBondContact O-N 2.9Å; N228-D230 PolarHBondContact O-N 3.1Å; N228-D230 VanDerWaalsContact O-N 3.09Å
229	E	34.5	Very low	32.9	Very low	198 Å²	198	154.2 Å²	154.2	93%	0.925	75%	0.751	S	S	*	*	S	Bend	trans	-73.4	-1.9	-172.3	-64.7	163	138.9	0	0	112.8	R231	E229-R231 PolarHBondContact O-N 2.96Å
230	D	33.3	Very low	32.6	Very low	136 Å²	136	158.6 Å²	158.6	73%	0.727	78%	0.778	S	S	*	*			trans	-96.5	58.1	-173.6	-56.4	-67.8	0	0	0	114.7	N228	N228-D230 PolarHBondContact O-N 3.1Å; N228-D230 VanDerWaalsContact O-N 3.09Å
231	R	34.4	Very low	32.4	Very low	232 Å²	232	156.4 Å²	156.4	88%	0.875	78%	0.784	S	S	*	*			trans	-125.1	57.4	170.9	-67.9	-163.9	-179.9	-164.7	1.9	114.1	E229	E229-R231 PolarHBondContact O-N 2.96Å
232	K	34.1	Very low	32.1	Very low	144 Å²	144	157.6 Å²	157.6	63%	0.626	79%	0.791	S	S	*	*			trans	-52.1	153.4	153	-77.9	-176.3	171.3	-176.9	0	110.8	S325	K232-S325 PolarHBondContact NZ-O 3.04Å
233	F	27.2	Very low	32.2	Very low	170 Å²	170	158.4 Å²	158.4	75%	0.746	80%	0.8	S	S	*	*			trans	-46.1	136.9	-175.6	-52.7	-90.6	0	0	0	114.3	L326	F233-L326 HydrophobicContact CD2-CD1 4.33Å; F233-L326 HydrophobicContact CE2-CD1 4.09Å
234	S	28.9	Very low	31.9	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	79%	0.792	S	S	*	*			trans	-139.2	77	-178.7	172.7	0	0	0	0	112.3
235	W	28.4	Very low	32	Very low	204 Å²	204	157.8 Å²	157.8	77%	0.773	79%	0.792	S	S	*	*			trans	-98.8	10.2	167.2	47.8	-91.1	0	0	0	113.6
236	I	28.5	Very low	31.8	Very low	128 Å²	128	157.3 Å²	157.3	66%	0.656	79%	0.79	S	S	*	*			trans	-135.5	96.3	174.8	-50.2	179.6	0	0	0	111.6
237	R	33.4	Very low	31.5	Very low	241 Å²	241	158.7 Å²	158.7	91%	0.909	79%	0.79	S	S	*	*			trans	-151	149	150.2	-112.4	175.3	-164.4	-133	1.8	111.3
238	R	30.5	Very low	31.5	Very low	230 Å²	230	159.2 Å²	159.2	87%	0.868	79%	0.789	S	S	*	*			trans	-79.6	151.9	-162.1	-59.3	170.9	-176	154.2	0.4	112.9
239	P	30.8	Very low	31.1	Very low	129 Å²	129	158.6 Å²	158.6	84%	0.838	79%	0.794	S	S	*	*			trans	-66.3	132.8	163.4	29.4	-33.7	0	0	0	110.7
240	L	31.7	Very low	30.8	Very low	181 Å²	181	159.6 Å²	159.6	95%	0.948	79%	0.791	S	S	*	*			trans	-110.9	99.2	166.8	-74.6	169.5	0	0	0	107.4
241	G	31.9	Very low	30.6	Very low	65 Å²	65	160.9 Å²	160.9	67%	0.67	79%	0.79	S	S	*	*			trans	175.4	72.1	-173.5	0	0	0	0	0	115
242	T	32.6	Very low	30.6	Very low	134 Å²	134	155.1 Å²	155.1	82%	0.822	79%	0.786	S	S	*	*			trans	42.4	122	147.3	55.1	0	0	0	0	121.2
243	V	34.3	Very low	30.6	Very low	141 Å²	141	156.5 Å²	156.5	86%	0.855	79%	0.794	S	S	*	*			trans	67.6	93.5	166	-162.4	0	0	0	0	114.3
244	G	29.7	Very low	31.4	Very low	65 Å²	65	156.2 Å²	156.2	67%	0.67	80%	0.795	S	S	*	*				100.6	131.7	91.2	0	0	0	0	0	109.8
245	H	33.7	Very low	32.3	Very low	189 Å²	189	157.1 Å²	157.1	88%	0.875	80%	0.797	S	S	*	*			cis	-134.2	132.2	24.2	-64.2	-114.1	0	0	0	113.9
246	K	30.8	Very low	33.8	Very low	178 Å²	178	151.6 Å²	151.6	77%	0.774	79%	0.787	S	S	*	*			trans	15.8	114.2	137.1	-70.3	-162.2	166	-175	0	122.3
247	W	26.6	Very low	36.2	Very low	223 Å²	223	148.1 Å²	148.1	85%	0.845	77%	0.772	S	S	*	*				61.8	159	126.1	-52.8	115.7	0	0	0	119.8
248	T	31.3	Very low	38.5	Very low	136 Å²	136	138 Å²	138	83%	0.834	74%	0.738	S	S	*	*			cis	-136.6	145.9	18.4	49.3	0	0	0	0	113.9
249	S	26.2	Very low	41.2	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	72%	0.723	S	S	*	*			trans	-107.5	150.2	156.7	93.2	0	0	0	0	110.4
250	Y	29.6	Very low	43.6	Very low	219 Å²	219	128.9 Å²	128.9	86%	0.859	70%	0.704	S	S	*	*			trans	-77.8	164.4	164.6	-158.7	-104.2	0	0	0	110.3
251	K	29.1	Very low	46.2	Very low	164 Å²	164	120.9 Å²	120.9	71%	0.713	66%	0.663	S	S	*	*			trans	-97.9	125	-168.9	-63.9	172.7	-179.1	173.1	0	112.3	Q253	K251-Q253 HydrophobicContact CB-CG 4.24Å
252	S	33.7	Very low	48.9	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	64%	0.639	S	S	*	*			trans	-109.5	140.8	136.8	-175.4	0	0	0	0	107
253	Q	32.8	Very low	51.4	Low	173 Å²	173	115.7 Å²	115.7	81%	0.808	62%	0.619	S	S	*	*			trans	-99.8	-4.8	-151.8	-77.1	-172.9	-113.5	0	0	116.9	K251	K251-Q253 HydrophobicContact CB-CG 4.24Å
254	E	45.1	Very low	53.8	Low	164 Å²	164	113.4 Å²	113.4	77%	0.766	61%	0.605	S	S	*	*			trans	-124.4	135.3	-174.4	-61.9	-170	159.5	0	0	112.5
255	T	48.6	Very low	56.5	Low	120 Å²	120	112.1 Å²	112.1	74%	0.736	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-68.1	128.8	167.7	46.5	0	0	0	0	109	T257	T255-T257 WeakPolarHBondContact O-CG2 3.49Å; T255-T257 PolarHBondContact O-N 3.11Å
256	P	59.3	Low	59	Low	87 Å²	87	104.7 Å²	104.7	57%	0.565	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-61.7	127.3	-175.5	25.9	-34.6	0	0	0	110.7	N260 M329	P256-N260 HydrophobicContact CB-CB 4.49Å; P256-M329 HydrophobicContact CB-CE 3.69Å; P256-M329 HydrophobicContact CG-CE 3.92Å; P256-M329 WeakPolarHBondContact O-CE 3.39Å
257	T	79.2	Confident	61.5	Low	55 Å²	55	102.1 Å²	102.1	34%	0.337	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-93.9	172.8	-166.3	63.9	0	0	0	0	112.5	T255 P259 N260 C261	T255-T257 WeakPolarHBondContact O-CG2 3.49Å; T255-T257 PolarHBondContact O-N 3.11Å; T257-P259 WeakPolarHBondContact OG1-CD 3.27Å; T257-N260 PolarHBondContact O-N 3.31Å; T257-N260 PolarHBondContact OG1-N 3.01Å; T257-N260 PolarHBondContact OG1-OD1 2.87Å; T257-N260 VanDerWaalsContact OG1-OD1 3.13Å; T257-C261 PolarHBondContact O-N 3.42Å; T257-C261 VanDerWaalsContact O-N 3.09Å
258	C	81.9	Confident	64.3	Low	29 Å²	29	95.5 Å²	95.5	20%	0.196	52%	0.518	C	S	.	.	H	α-helix	trans	-51.8	-50.6	170	178.5	0	0	0	0	112	N260 C261 L262 M329 C330	C258-N260 VanDerWaalsContact C-N 3.29Å; C258-N260 PolarHBondContact O-N 3.36Å; C258-C261 PolarHBondContact O-N 3.49Å; C258-L262 WeakPolarHBondContact O-CB 3.33Å; C258-L262 WeakPolarHBondContact O-CG 3.34Å; C258-L262 PolarHBondContact O-N 2.92Å; C258-L262 VanDerWaalsContact SG-CD1 3.58Å; C258-M329 VanDerWaalsContact CA-O 3.32Å; C258-M329 WeakPolarHBondContact CA-O 3.25Å; C258-M329 WeakPolarHBondContact CB-O 3.27Å; C258-M329 PolarHBondContact N-O 2.99Å; C258-C330 WeakPolarHBondContact CA-SG 3.3Å; C258-C330 HydrophobicContact CB-CB 3.95Å; C258-C330 WeakPolarHBondContact CB-SG 3.28Å; C258-C330 WeakPolarHBondContact SG-CB 3.36Å; C258-C330 CovalentContact SG-SG 2.04Å; C258-C330 PolarHBondContact SG-SG 3.36Å
259	P	86	Confident	66.8	Low	87 Å²	87	90.1 Å²	90.1	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-51.7	-37.8	170.6	-31.6	35.5	0	0	0	115.7	T257 S263	T257-P259 WeakPolarHBondContact OG1-CD 3.27Å; P259-S263 WeakPolarHBondContact O-CB 3.49Å; P259-S263 PolarHBondContact O-N 2.78Å
260	N	81.7	Confident	69.6	Low	81 Å²	81	89.1 Å²	89.1	43%	0.433	47%	0.472	S	S	.	.	H	α-helix	trans	-71	-42.9	-179.5	-63.4	9.1	0	0	0	111.1	P256 T257 C258 S263 V264	P256-N260 HydrophobicContact CB-CB 4.49Å; T257-N260 PolarHBondContact O-N 3.31Å; T257-N260 PolarHBondContact OG1-N 3.01Å; T257-N260 PolarHBondContact OG1-OD1 2.87Å; T257-N260 VanDerWaalsContact OG1-OD1 3.13Å; C258-N260 VanDerWaalsContact C-N 3.29Å; C258-N260 PolarHBondContact O-N 3.36Å; N260-S263 PolarHBondContact O-N 3.36Å; N260-V264 WeakPolarHBondContact O-CG2 3.42Å; N260-V264 PolarHBondContact O-N 3.43Å; N260-V264 VanDerWaalsContact O-N 3.14Å
261	C	86.1	Confident	72.1	Confident	12 Å²	12	78.8 Å²	78.8	8%	0.081	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-47.3	174	-179.5	0	0	0	0	111.5	T257 C258 S263 V264 L265 C324 M329	T257-C261 PolarHBondContact O-N 3.42Å; T257-C261 VanDerWaalsContact O-N 3.09Å; C258-C261 PolarHBondContact O-N 3.49Å; C261-S263 VanDerWaalsContact C-N 3.29Å; C261-S263 PolarHBondContact O-N 3.18Å; C261-V264 PolarHBondContact O-N 2.96Å; C261-L265 PolarHBondContact O-N 3.33Å; C261-C324 HydrophobicContact CB-CB 3.93Å; C261-C324 WeakPolarHBondContact CB-SG 3.4Å; C261-C324 WeakPolarHBondContact SG-CA 3.39Å; C261-C324 WeakPolarHBondContact SG-CB 3.24Å; C261-C324 CovalentContact SG-SG 2.04Å; C261-C324 PolarHBondContact SG-SG 3.39Å; C261-M329 HydrophobicContact CB-CB 3.97Å; C261-M329 HydrophobicContact CB-CE 3.79Å; C261-M329 HydrophobicContact CB-CG 4.47Å; C261-M329 HydrophobicContact CB-SD 3.71Å
262	L	89.4	Confident	74.7	Confident	32 Å²	32	71 Å²	71	17%	0.168	40%	0.398	C	S	.	.	H	α-helix	trans	-60.6	-38.1	175.3	-72.7	175.4	0	0	0	111.1	C258 V264 N266 P320 K321 C324	C258-L262 WeakPolarHBondContact O-CB 3.33Å; C258-L262 WeakPolarHBondContact O-CG 3.34Å; C258-L262 PolarHBondContact O-N 2.92Å; C258-L262 VanDerWaalsContact SG-CD1 3.58Å; L262-V264 PolarHBondContact O-N 2.92Å; L262-N266 VanDerWaalsContact O-CA 3.31Å; L262-N266 WeakPolarHBondContact O-CA 3.48Å; L262-N266 WeakPolarHBondContact O-CB 3.15Å; L262-N266 PolarHBondContact O-N 3.18Å; L262-N266 PolarHBondContact O-OD1 2.03Å; L262-P320 HydrophobicContact CD2-CB 4.13Å; L262-K321 HydrophobicContact CD2-CB 4.01Å; L262-K321 HydrophobicContact CD2-CG 4.47Å; L262-C324 PolarHBondContact N-SG 3.34Å
263	S	85.1	Confident	77	Confident	58 Å²	58	67 Å²	67	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-41.7	177.2	-172.8	0	0	0	0	112.2	P259 N260 C261 Q267	P259-S263 WeakPolarHBondContact O-CB 3.49Å; P259-S263 PolarHBondContact O-N 2.78Å; N260-S263 PolarHBondContact O-N 3.36Å; C261-S263 VanDerWaalsContact C-N 3.29Å; C261-S263 PolarHBondContact O-N 3.18Å; S263-Q267 WeakPolarHBondContact O-CB 3.49Å; S263-Q267 VanDerWaalsContact O-CG 3.26Å; S263-Q267 WeakPolarHBondContact O-CG 3.29Å; S263-Q267 PolarHBondContact O-N 3.37Å
264	V	83.3	Confident	79.6	Confident	93 Å²	93	61.8 Å²	61.8	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-74.3	-41.1	179.3	174.5	0	0	0	0	112.6	N260 C261 L262 Q267 F268	N260-V264 WeakPolarHBondContact O-CG2 3.42Å; N260-V264 PolarHBondContact O-N 3.43Å; N260-V264 VanDerWaalsContact O-N 3.14Å; C261-V264 PolarHBondContact O-N 2.96Å; L262-V264 PolarHBondContact O-N 2.92Å; V264-Q267 CarbonylContact O-C 3.57Å; V264-Q267 WeakPolarHBondContact O-CA 3.5Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.5Å; V264-Q267 VanDerWaalsContact O-N 3.14Å; V264-F268 PolarHBondContact O-N 3.18Å
265	L	87.8	Confident	81.6	Confident	39 Å²	39	58.3 Å²	58.3	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-82.5	-23.5	178.2	-63.9	-171.6	0	0	0	113	C261 F268 P320 I323	C261-L265 PolarHBondContact O-N 3.33Å; L265-F268 PolarHBondContact O-N 3.39Å; L265-P320 HydrophobicContact CB-CB 3.8Å; L265-I323 HydrophobicContact CD1-CB 3.51Å; L265-I323 HydrophobicContact CD1-CD1 4.17Å; L265-I323 HydrophobicContact CD1-CG1 4.45Å; L265-I323 HydrophobicContact CD1-CG2 3.34Å
266	N	85.8	Confident	83.4	Confident	33 Å²	33	55.8 Å²	55.8	18%	0.176	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-59.8	155	-74.2	2.2	0	0	0	106.3	L262 F268 K269 P320 P338 S339 D340	L262-N266 VanDerWaalsContact O-CA 3.31Å; L262-N266 WeakPolarHBondContact O-CA 3.48Å; L262-N266 WeakPolarHBondContact O-CB 3.15Å; L262-N266 PolarHBondContact O-N 3.18Å; L262-N266 PolarHBondContact O-OD1 2.03Å; N266-F268 CarbonylContact O-C 3.59Å; N266-F268 PolarHBondContact O-N 2.97Å; N266-K269 PolarHBondContact O-N 3.49Å; N266-P320 WeakPolarHBondContact OD1-CG 3.34Å; N266-P338 VanDerWaalsContact CG-CA 3.41Å; N266-P338 WeakPolarHBondContact OD1-CA 3.26Å; N266-S339 CarbonylContact O-C 3.55Å; N266-S339 WeakPolarHBondContact O-CA 3.2Å; N266-S339 PolarHBondContact O-N 2.98Å; N266-D340 PolarHBondContact O-N 3.01Å
267	Q	84.2	Confident	84.7	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	24.1	169.3	-67.8	174.7	34.8	0	0	116.1	S263 V264 D340 K341	S263-Q267 WeakPolarHBondContact O-CB 3.49Å; S263-Q267 VanDerWaalsContact O-CG 3.26Å; S263-Q267 WeakPolarHBondContact O-CG 3.29Å; S263-Q267 PolarHBondContact O-N 3.37Å; V264-Q267 CarbonylContact O-C 3.57Å; V264-Q267 WeakPolarHBondContact O-CA 3.5Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.5Å; V264-Q267 VanDerWaalsContact O-N 3.14Å; Q267-D340 VanDerWaalsContact C-C 3.41Å; Q267-D340 VanDerWaalsContact C-N 3.27Å; Q267-D340 CarbonylContact O-C 3.47Å; Q267-D340 VanDerWaalsContact O-CA 3.3Å; Q267-D340 WeakPolarHBondContact O-CA 3.27Å; Q267-K341 PolarHBondContact O-N 2.92Å
268	F	84.4	Confident	85.1	Confident	85 Å²	85	53 Å²	53	37%	0.373	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	23.9	157.7	-152	-103.8	0	0	0	116.8	V264 L265 N266 D340 M342	V264-F268 PolarHBondContact O-N 3.18Å; L265-F268 PolarHBondContact O-N 3.39Å; N266-F268 CarbonylContact O-C 3.59Å; N266-F268 PolarHBondContact O-N 2.97Å; F268-D340 WeakPolarHBondContact CA-OD1 3.36Å; F268-M342 HydrophobicContact CE2-CB 4.43Å; F268-M342 HydrophobicContact CE2-CG 4.43Å; F268-M342 HydrophobicContact CE2-SD 4.09Å; F268-M342 HydrophobicContact CZ-CE 4.46Å; F268-M342 HydrophobicContact CZ-SD 4.03Å
269	K	84.5	Confident	85.4	Confident	23 Å²	23	56.3 Å²	56.3	10%	0.1	33%	0.325	C	S	.	.	S	Bend	trans	-136.4	-3.6	179.4	-171.5	160.9	154.3	149.6	0	123.8	N266 K316 V318 P320 P338 S339 D340	N266-K269 PolarHBondContact O-N 3.49Å; K269-K316 WeakPolarHBondContact CE-O 3.29Å; K269-K316 PolarHBondContact NZ-O 2.86Å; K269-V318 PolarHBondContact NZ-O 3.19Å; K269-P320 HydrophobicContact CD-CG 4.19Å; K269-P338 HydrophobicContact CB-CB 4.34Å; K269-P338 HydrophobicContact CD-CB 4.08Å; K269-P338 HydrophobicContact CG-CB 4.07Å; K269-S339 PolarHBondContact O-OG 3.14Å; K269-D340 VanDerWaalsContact C-CG 3.47Å; K269-D340 WeakPolarHBondContact CA-OD2 3.31Å; K269-D340 PolarHBondContact N-OD1 3.37Å; K269-D340 PolarHBondContact N-OD2 3.27Å
270	T	83.7	Confident	85.5	Confident	84 Å²	84	58.9 Å²	58.9	52%	0.515	32%	0.323	S	S	.	.	S	Bend	trans	-75.8	-41.4	171.8	-67.4	0	0	0	0	113.3	G273 D274 S339 D340	T270-G273 VanDerWaalsContact C-N 3.3Å; T270-G273 CarbonylContact O-C 3.15Å; T270-G273 WeakPolarHBondContact O-CA 3.43Å; T270-G273 PolarHBondContact O-N 3.44Å; T270-D274 PolarHBondContact O-N 3.3Å; T270-S339 VanDerWaalsContact CB-O 3.3Å; T270-S339 WeakPolarHBondContact CB-O 3.39Å; T270-S339 PolarHBondContact N-OG 2.81Å; T270-S339 VanDerWaalsContact N-OG 3.07Å; T270-S339 WeakPolarHBondContact OG1-CB 3.34Å; T270-S339 PolarHBondContact OG1-O 2.87Å; T270-D340 VanDerWaalsContact N-N 3.15Å; T270-D340 PolarHBondContact N-OD2 2.98Å
271	G	83.6	Confident	85.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.01	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.5	-158	0	0	0	0	0	114.9	G273 D274 D340 K341	G271-G273 PolarHBondContact O-N 3.32Å; G271-D274 VanDerWaalsContact CA-CB 3.47Å; G271-D274 PolarHBondContact O-N 2.77Å; G271-D340 WeakPolarHBondContact CA-OD2 3.36Å; G271-D340 PolarHBondContact N-OD2 2.82Å; G271-K341 VanDerWaalsContact C-CE 3.48Å; G271-K341 WeakPolarHBondContact O-CD 3.42Å; G271-K341 VanDerWaalsContact O-CE 3.29Å; G271-K341 WeakPolarHBondContact O-CE 3.34Å; G271-K341 PolarHBondContact O-NZ 2.93Å
272	V	82.9	Confident	86	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.6	140.8	-178.2	0	0	0	0	107.9	Q278 I312 M315 K316 D340 K341	V272-Q278 WeakPolarHBondContact O-CG 3.05Å; V272-Q278 PolarHBondContact O-NE2 2.92Å; V272-I312 HydrophobicContact CB-CD1 4.47Å; V272-I312 HydrophobicContact CG1-CB 4.33Å; V272-I312 HydrophobicContact CG1-CD1 3.86Å; V272-I312 HydrophobicContact CG1-CG2 3.84Å; V272-I312 WeakPolarHBondContact CG1-O 3.07Å; V272-I312 WeakPolarHBondContact O-CG2 3.24Å; V272-M315 HydrophobicContact CG1-CB 3.68Å; V272-M315 HydrophobicContact CG2-CB 4.36Å; V272-K316 HydrophobicContact CB-CG 4.44Å; V272-K316 HydrophobicContact CG1-CG 3.68Å; V272-K316 WeakPolarHBondContact O-CE 3.47Å; V272-D340 VanDerWaalsContact CB-OD2 3.29Å; V272-D340 WeakPolarHBondContact CB-OD2 3.04Å; V272-D340 VanDerWaalsContact CG2-OD2 3.3Å; V272-D340 WeakPolarHBondContact CG2-OD2 3.46Å; V272-D340 PolarHBondContact N-OD2 3.48Å; V272-K341 HydrophobicContact CG2-CD 4.48Å; V272-K341 HydrophobicContact CG2-CG 4.11Å; V272-K341 VanDerWaalsContact N-CE 3.27Å
273	G	82	Confident	85.9	Confident	29 Å²	29	59.8 Å²	59.8	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-47.9	161.1	0	0	0	0	0	116.3	T270 G271 P275 Q278	T270-G273 VanDerWaalsContact C-N 3.3Å; T270-G273 CarbonylContact O-C 3.15Å; T270-G273 WeakPolarHBondContact O-CA 3.43Å; T270-G273 PolarHBondContact O-N 3.44Å; G271-G273 PolarHBondContact O-N 3.32Å; G273-P275 VanDerWaalsContact O-CD 3.27Å; G273-P275 WeakPolarHBondContact O-CD 3.43Å; G273-Q278 PolarHBondContact O-NE2 2.96Å
274	D	86.8	Confident	86.1	Confident	63 Å²	63	57.4 Å²	57.4	34%	0.337	31%	0.305	S	S	.	.			trans	-54.5	113.9	-179.4	-173.8	-9.4	0	0	0	111.2	T270 G271 A276 I277 Q278	T270-D274 PolarHBondContact O-N 3.3Å; G271-D274 VanDerWaalsContact CA-CB 3.47Å; G271-D274 PolarHBondContact O-N 2.77Å; D274-A276 PolarHBondContact O-N 3.03Å; D274-A276 WeakPolarHBondContact OD1-CB 3.41Å; D274-A276 PolarHBondContact OD1-N 2.96Å; D274-I277 HydrophobicContact CB-CD1 4.42Å; D274-I277 HydrophobicContact CB-CG1 4.19Å; D274-I277 PolarHBondContact O-N 2.86Å; D274-Q278 PolarHBondContact O-N 2.94Å
275	P	87.2	Confident	86.3	Confident	91 Å²	91	55.7 Å²	55.7	59%	0.591	29%	0.292	S	S	*	.	H	α-helix	trans	-54.9	-33.7	176.8	-26.8	36.7	0	0	0	113.4	G273 I277 Q278 E279	G273-P275 VanDerWaalsContact O-CD 3.27Å; G273-P275 WeakPolarHBondContact O-CD 3.43Å; P275-I277 VanDerWaalsContact C-N 3.35Å; P275-I277 PolarHBondContact O-N 3.2Å; P275-Q278 PolarHBondContact O-N 2.91Å; P275-E279 VanDerWaalsContact O-CB 3.23Å; P275-E279 WeakPolarHBondContact O-CB 3.23Å; P275-E279 PolarHBondContact O-N 3.21Å
276	A	87.6	Confident	86.2	Confident	66 Å²	66	55.9 Å²	55.9	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-37.7	-178.2	0	0	0	0	0	112.3	D274 R280	D274-A276 PolarHBondContact O-N 3.03Å; D274-A276 WeakPolarHBondContact OD1-CB 3.41Å; D274-A276 PolarHBondContact OD1-N 2.96Å; A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 3.35Å
277	I	85.8	Confident	86.3	Confident	45 Å²	45	58.3 Å²	58.3	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-93.2	-14	177.7	-27.9	173.8	0	0	0	111.7	D274 P275 L281 K341	D274-I277 HydrophobicContact CB-CD1 4.42Å; D274-I277 HydrophobicContact CB-CG1 4.19Å; D274-I277 PolarHBondContact O-N 2.86Å; P275-I277 VanDerWaalsContact C-N 3.35Å; P275-I277 PolarHBondContact O-N 3.2Å; I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 PolarHBondContact O-N 3.35Å; I277-K341 HydrophobicContact CB-CD 3.71Å; I277-K341 HydrophobicContact CD1-CB 4.01Å; I277-K341 HydrophobicContact CG2-CB 4.24Å; I277-K341 HydrophobicContact CG2-CD 3.5Å; I277-K341 VanDerWaalsContact CG2-CD 3.5Å; I277-K341 HydrophobicContact CG2-CG 4.47Å; I277-K341 PolarHBondContact O-NZ 3.37Å
278	Q	87.7	Confident	86.5	Confident	40 Å²	40	56.3 Å²	56.3	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-54.4	159.8	-76.9	174.2	16.2	0	0	110.1	V272 G273 D274 P275 R280 L281 K282 F308 I312	V272-Q278 WeakPolarHBondContact O-CG 3.05Å; V272-Q278 PolarHBondContact O-NE2 2.92Å; G273-Q278 PolarHBondContact O-NE2 2.96Å; D274-Q278 PolarHBondContact O-N 2.94Å; P275-Q278 PolarHBondContact O-N 2.91Å; Q278-R280 PolarHBondContact O-N 3.13Å; Q278-L281 CarbonylContact O-C 2.86Å; Q278-L281 WeakPolarHBondContact O-CA 3.38Å; Q278-L281 PolarHBondContact O-N 3.05Å; Q278-K282 PolarHBondContact O-N 3.36Å; Q278-F308 HydrophobicContact CB-CE1 4.06Å; Q278-F308 HydrophobicContact CB-CZ 4.39Å; Q278-F308 HydrophobicContact CG-CE1 4.4Å; Q278-F308 WeakPolarHBondContact O-CZ 3.46Å; Q278-I312 HydrophobicContact CG-CG2 4.27Å
279	E	87.7	Confident	86.7	Confident	98 Å²	98	55.5 Å²	55.5	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-47.4	-179.4	-178.6	54.4	-150.5	0	0	111.3	P275 L281 K282 Q283	P275-E279 VanDerWaalsContact O-CB 3.23Å; P275-E279 WeakPolarHBondContact O-CB 3.23Å; P275-E279 PolarHBondContact O-N 3.21Å; E279-L281 VanDerWaalsContact C-N 3.26Å; E279-L281 PolarHBondContact O-N 3.14Å; E279-K282 PolarHBondContact O-N 3.31Å; E279-Q283 WeakPolarHBondContact O-CG 3.19Å; E279-Q283 PolarHBondContact O-N 3.42Å; E279-Q283 PolarHBondContact OE1-NE2 3.06Å
280	R	88.6	Confident	86.9	Confident	140 Å²	140	54.4 Å²	54.4	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-56.8	-41.2	171.8	-165.6	177.4	-167.8	179.2	4.1	111.4	A276 Q278 Q283 L284	A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 3.35Å; Q278-R280 PolarHBondContact O-N 3.13Å; R280-Q283 PolarHBondContact O-N 3.37Å; R280-L284 HydrophobicContact CG-CD1 4.43Å; R280-L284 HydrophobicContact CG-CG 4.31Å; R280-L284 WeakPolarHBondContact O-CB 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.29Å; R280-L284 PolarHBondContact O-N 3.47Å
281	L	88.4	Confident	87	Confident	15 Å²	15	53.8 Å²	53.8	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-70	-35	178.8	-174.8	66.9	0	0	0	113.1	I277 Q278 E279 L284 I285 F308 I312 M342	I277-L281 WeakPolarHBondContact O-CB 3.42Å; I277-L281 PolarHBondContact O-N 3.35Å; Q278-L281 CarbonylContact O-C 2.86Å; Q278-L281 WeakPolarHBondContact O-CA 3.38Å; Q278-L281 PolarHBondContact O-N 3.05Å; E279-L281 VanDerWaalsContact C-N 3.26Å; E279-L281 PolarHBondContact O-N 3.14Å; L281-L284 PolarHBondContact O-N 2.77Å; L281-I285 HydrophobicContact CD1-CD1 4.15Å; L281-I285 HydrophobicContact CD1-CG1 4.1Å; L281-I285 HydrophobicContact CD2-CD1 4.47Å; L281-I285 HydrophobicContact CG-CD1 3.91Å; L281-I285 HydrophobicContact CG-CG1 4.29Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.02Å; L281-I285 PolarHBondContact O-N 2.99Å; L281-F308 HydrophobicContact CB-CE2 4.13Å; L281-F308 HydrophobicContact CB-CZ 4.03Å; L281-F308 HydrophobicContact CD2-CE2 3.91Å; L281-F308 HydrophobicContact CD2-CZ 4.12Å; L281-F308 HydrophobicContact CG-CE2 3.88Å; L281-F308 HydrophobicContact CG-CZ 4.22Å; L281-I312 HydrophobicContact CD2-CD1 4.23Å; L281-M342 HydrophobicContact CD1-CE 3.56Å; L281-M342 HydrophobicContact CD1-SD 4.01Å; L281-M342 HydrophobicContact CD2-CE 3.89Å; L281-M342 HydrophobicContact CD2-SD 3.74Å; L281-M342 HydrophobicContact CG-CE 4.4Å; L281-M342 HydrophobicContact CG-SD 4.47Å
282	K	88.8	Confident	86.9	Confident	35 Å²	35	59.2 Å²	59.2	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-51.8	169.9	-75.7	-164.8	173.6	-171.2	0	110.1	Q278 E279 L284 I285 D286 I304 E305 F308 D309	Q278-K282 PolarHBondContact O-N 3.36Å; E279-K282 PolarHBondContact O-N 3.31Å; K282-L284 PolarHBondContact O-N 3.19Å; K282-I285 PolarHBondContact O-N 3.03Å; K282-D286 PolarHBondContact O-N 3.07Å; K282-I304 HydrophobicContact CB-CG2 4.36Å; K282-I304 HydrophobicContact CD-CG2 4.38Å; K282-I304 HydrophobicContact CG-CG2 4.08Å; K282-E305 IonicContact NZ-OE2 2.84Å; K282-E305 PolarHBondContact NZ-OE2 2.94Å; K282-F308 HydrophobicContact CD-CD1 4.03Å; K282-F308 HydrophobicContact CD-CE1 4.23Å; K282-F308 HydrophobicContact CD-CG 4.34Å; K282-F308 HydrophobicContact CG-CD1 3.63Å; K282-F308 HydrophobicContact CG-CD2 3.82Å; K282-F308 HydrophobicContact CG-CE1 3.53Å; K282-F308 HydrophobicContact CG-CE2 3.75Å; K282-F308 HydrophobicContact CG-CG 3.76Å; K282-F308 HydrophobicContact CG-CZ 3.61Å; K282-D309 WeakPolarHBondContact CE-OD1 3.31Å; K282-D309 IonicContact NZ-OD1 2.6Å; K282-D309 PolarHBondContact NZ-OD1 2.97Å
283	Q	88.5	Confident	86.7	Confident	94 Å²	94	63.5 Å²	63.5	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-44.6	177.2	-65.6	168.9	9.1	0	0	111.6	E279 R280 D286 E287	E279-Q283 WeakPolarHBondContact O-CG 3.19Å; E279-Q283 PolarHBondContact O-N 3.42Å; E279-Q283 PolarHBondContact OE1-NE2 3.06Å; R280-Q283 PolarHBondContact O-N 3.37Å; Q283-D286 PolarHBondContact O-N 3.23Å; Q283-E287 VanDerWaalsContact O-CB 3.31Å; Q283-E287 WeakPolarHBondContact O-CB 3.47Å; Q283-E287 VanDerWaalsContact O-CG 3.31Å; Q283-E287 WeakPolarHBondContact O-CG 3.07Å; Q283-E287 PolarHBondContact O-N 2.8Å
284	L	88.4	Confident	86.7	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-43.8	178.2	-72.9	-175.1	0	0	0	113.1	R280 L281 K282 D286 K288 L343 P344 S345	R280-L284 HydrophobicContact CG-CD1 4.43Å; R280-L284 HydrophobicContact CG-CG 4.31Å; R280-L284 WeakPolarHBondContact O-CB 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.29Å; R280-L284 PolarHBondContact O-N 3.47Å; L281-L284 PolarHBondContact O-N 2.77Å; K282-L284 PolarHBondContact O-N 3.19Å; L284-D286 VanDerWaalsContact C-N 3.34Å; L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 WeakPolarHBondContact O-CG 3.25Å; L284-K288 PolarHBondContact O-N 3.47Å; L284-L343 WeakPolarHBondContact CD1-O 3.17Å; L284-P344 WeakPolarHBondContact CD2-O 3.25Å; L284-S345 WeakPolarHBondContact CD2-OG 3.37Å
285	I	88.9	Confident	86.3	Confident	56 Å²	56	70.7 Å²	70.7	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-35.8	179.6	-57.1	165.7	0	0	0	109.9	L281 K282 V289 C290 I304 F308	L281-I285 HydrophobicContact CD1-CD1 4.15Å; L281-I285 HydrophobicContact CD1-CG1 4.1Å; L281-I285 HydrophobicContact CD2-CD1 4.47Å; L281-I285 HydrophobicContact CG-CD1 3.91Å; L281-I285 HydrophobicContact CG-CG1 4.29Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.02Å; L281-I285 PolarHBondContact O-N 2.99Å; K282-I285 PolarHBondContact O-N 3.03Å; I285-V289 HydrophobicContact CG2-CB 4.03Å; I285-V289 HydrophobicContact CG2-CG2 3.96Å; I285-V289 WeakPolarHBondContact O-CA 3.43Å; I285-V289 VanDerWaalsContact O-CB 3.23Å; I285-V289 WeakPolarHBondContact O-CB 3.37Å; I285-V289 PolarHBondContact O-N 3.25Å; I285-C290 PolarHBondContact O-N 3.36Å; I285-C290 VanDerWaalsContact O-N 3.15Å; I285-I304 HydrophobicContact CB-CD1 3.83Å; I285-I304 HydrophobicContact CG2-CD1 3.62Å; I285-I304 HydrophobicContact CG2-CG1 4.24Å; I285-F308 HydrophobicContact CD1-CD2 4.27Å; I285-F308 HydrophobicContact CD1-CE2 4.1Å
286	D	85.4	Confident	86	Confident	43 Å²	43	72.4 Å²	72.4	23%	0.23	37%	0.366	C	S	.	.	I	π-helix	trans	-62.6	-53.9	173.1	-169.7	41.7	0	0	0	111.9	K282 Q283 L284 K288 C290 T291 K301 I304	K282-D286 PolarHBondContact O-N 3.07Å; Q283-D286 PolarHBondContact O-N 3.23Å; L284-D286 VanDerWaalsContact C-N 3.34Å; D286-K288 PolarHBondContact O-N 2.85Å; D286-C290 PolarHBondContact O-N 2.82Å; D286-C290 WeakPolarHBondContact OD1-CB 3.36Å; D286-T291 WeakPolarHBondContact O-CG2 3.35Å; D286-T291 PolarHBondContact O-N 2.87Å; D286-T291 PolarHBondContact O-OG1 2.9Å; D286-K301 WeakPolarHBondContact OD1-CE 3.39Å; D286-K301 WeakPolarHBondContact OD1-CG 3.3Å; D286-K301 IonicContact OD1-NZ 2.72Å; D286-K301 PolarHBondContact OD1-NZ 3.34Å; D286-K301 IonicContact OD2-NZ 3.87Å; D286-K301 PolarHBondContact OD2-NZ 3Å; D286-I304 HydrophobicContact CB-CD1 4.48Å
287	E	87.2	Confident	85.7	Confident	84 Å²	84	71 Å²	71	39%	0.393	35%	0.351	S	S	.	.	I	π-helix	trans	-59.5	-42	177.7	-76.3	-177	169.5	0	0	113.1	Q283 T291 S345 L346	Q283-E287 VanDerWaalsContact O-CB 3.31Å; Q283-E287 WeakPolarHBondContact O-CB 3.47Å; Q283-E287 VanDerWaalsContact O-CG 3.31Å; Q283-E287 WeakPolarHBondContact O-CG 3.07Å; Q283-E287 PolarHBondContact O-N 2.8Å; E287-T291 PolarHBondContact O-OG1 3.28Å; E287-S345 WeakPolarHBondContact OE2-CB 3.12Å; E287-S345 PolarHBondContact OE2-OG 3.32Å; E287-L346 HydrophobicContact CB-CD2 4.35Å; E287-L346 WeakPolarHBondContact O-CD2 3.34Å
288	K	89.4	Confident	85.5	Confident	82 Å²	82	72.3 Å²	72.3	36%	0.357	37%	0.367	S	S	.	.	I	π-helix	trans	-86.9	-34.3	-173.7	-72.9	-78.2	179.6	-169.8	0	114.7	L284 D286 H292 P344 L346	L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 WeakPolarHBondContact O-CG 3.25Å; L284-K288 PolarHBondContact O-N 3.47Å; D286-K288 PolarHBondContact O-N 2.85Å; K288-H292 PolarHBondContact O-CD2 3.42Å; K288-P344 WeakPolarHBondContact CE-O 3.3Å; K288-L346 HydrophobicContact CD-CB 4.27Å; K288-L346 HydrophobicContact CD-CD1 3.94Å; K288-L346 HydrophobicContact CD-CD2 4.13Å; K288-L346 HydrophobicContact CD-CG 4.33Å; K288-L346 VanDerWaalsContact NZ-CD1 3.26Å
289	V	88.3	Confident	85.3	Confident	67 Å²	67	72.9 Å²	72.9	41%	0.406	38%	0.379	S	S	.	.	I	π-helix	trans	-121.1	-52.3	-163.2	-168.6	0	0	0	0	110.7	I285 H292 M293	I285-V289 HydrophobicContact CG2-CB 4.03Å; I285-V289 HydrophobicContact CG2-CG2 3.96Å; I285-V289 WeakPolarHBondContact O-CA 3.43Å; I285-V289 VanDerWaalsContact O-CB 3.23Å; I285-V289 WeakPolarHBondContact O-CB 3.37Å; I285-V289 PolarHBondContact O-N 3.25Å; V289-H292 PolarHBondContact O-N 3.26Å; V289-M293 WeakPolarHBondContact O-CB 3.44Å; V289-M293 PolarHBondContact O-N 3.09Å; V289-M293 VanDerWaalsContact O-N 3.1Å
290	C	88.2	Confident	85.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.364	C	S	.	.	I	π-helix	trans	-70.2	-45.7	-175.1	-61	0	0	0	0	112.6	I285 D286 H292 M293 T297 C300 K301 I304	I285-C290 PolarHBondContact O-N 3.36Å; I285-C290 VanDerWaalsContact O-N 3.15Å; D286-C290 PolarHBondContact O-N 2.82Å; D286-C290 WeakPolarHBondContact OD1-CB 3.36Å; C290-H292 PolarHBondContact O-N 2.04Å; C290-M293 WeakPolarHBondContact O-CB 3.17Å; C290-M293 PolarHBondContact O-N 2.83Å; C290-T297 WeakPolarHBondContact O-CA 3.36Å; C290-T297 WeakPolarHBondContact O-CB 3.33Å; C290-T297 WeakPolarHBondContact O-CG2 3.15Å; C290-T297 PolarHBondContact O-OG1 3.46Å; C290-C300 WeakPolarHBondContact CA-SG 3.34Å; C290-C300 HydrophobicContact CB-CB 3.64Å; C290-C300 WeakPolarHBondContact CB-SG 3.27Å; C290-C300 WeakPolarHBondContact SG-CB 3.38Å; C290-C300 CovalentContact SG-SG 2.04Å; C290-C300 PolarHBondContact SG-SG 2.84Å; C290-K301 HydrophobicContact CB-CG 4.12Å; C290-I304 WeakPolarHBondContact SG-CD1 3.5Å
291	T	84.9	Confident	85.5	Confident	71 Å²	71	66.3 Å²	66.3	44%	0.436	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-50.8	-38	172	50.5	0	0	0	0	113.5	D286 E287	D286-T291 WeakPolarHBondContact O-CG2 3.35Å; D286-T291 PolarHBondContact O-N 2.87Å; D286-T291 PolarHBondContact O-OG1 2.9Å; E287-T291 PolarHBondContact O-OG1 3.28Å
292	H	83	Confident	85.5	Confident	115 Å²	115	72.4 Å²	72.4	53%	0.532	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-89	-5.7	-177.4	-71	-76.7	0	0	0	113.4	K288 V289 C290 G294	K288-H292 PolarHBondContact O-CD2 3.42Å; V289-H292 PolarHBondContact O-N 3.26Å; C290-H292 PolarHBondContact O-N 2.04Å; H292-G294 VanDerWaalsContact C-N 3.29Å; H292-G294 PolarHBondContact O-N 3.33Å
293	M	78.8	Confident	85.4	Confident	91 Å²	91	73 Å²	73	45%	0.448	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-82.3	0.8	-179.4	-106.9	-171.4	166.5	0	0	114.6	V289 C290 F295 F296 C300	V289-M293 WeakPolarHBondContact O-CB 3.44Å; V289-M293 PolarHBondContact O-N 3.09Å; V289-M293 VanDerWaalsContact O-N 3.1Å; C290-M293 WeakPolarHBondContact O-CB 3.17Å; C290-M293 PolarHBondContact O-N 2.83Å; M293-F295 PolarHBondContact O-N 2.98Å; M293-F295 VanDerWaalsContact O-N 3.16Å; M293-F296 HydrophobicContact CB-CB 4.11Å; M293-F296 HydrophobicContact CG-CB 4.37Å; M293-F296 PolarHBondContact O-N 3.44Å; M293-F296 HydrophobicContact SD-CB 4.15Å; M293-C300 HydrophobicContact SD-CB 3.81Å
294	G	80.7	Confident	85.3	Confident	51 Å²	51	69.4 Å²	69.4	53%	0.526	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	60.4	-116.6	171.4	0	0	0	0	0	112.1	H292 F296 T297	H292-G294 VanDerWaalsContact C-N 3.29Å; H292-G294 PolarHBondContact O-N 3.33Å; G294-F296 PolarHBondContact O-N 2.89Å; G294-T297 PolarHBondContact N-OG1 3.04Å; G294-T297 WeakPolarHBondContact O-CB 3.26Å; G294-T297 PolarHBondContact O-N 3.49Å; G294-T297 VanDerWaalsContact O-N 3.1Å; G294-T297 PolarHBondContact O-OG1 2.67Å
295	F	78.9	Confident	85.2	Confident	191 Å²	191	75.2 Å²	75.2	84%	0.838	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.2	177.1	-177.3	-98.8	0	0	0	112.9	M293 T297	M293-F295 PolarHBondContact O-N 2.98Å; M293-F295 VanDerWaalsContact O-N 3.16Å; F295-T297 VanDerWaalsContact C-N 3.31Å; F295-T297 PolarHBondContact O-N 3.41Å
296	F	80.5	Confident	85.1	Confident	128 Å²	128	80.7 Å²	80.7	56%	0.561	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-83.7	0.4	-179.2	-60	-72.8	0	0	0	114.1	M293 G294 A298 A299 C300	M293-F296 HydrophobicContact CB-CB 4.11Å; M293-F296 HydrophobicContact CG-CB 4.37Å; M293-F296 PolarHBondContact O-N 3.44Å; M293-F296 HydrophobicContact SD-CB 4.15Å; G294-F296 PolarHBondContact O-N 2.89Å; F296-A298 VanDerWaalsContact C-N 3.26Å; F296-A298 PolarHBondContact O-N 3.42Å; F296-A298 VanDerWaalsContact O-N 3.17Å; F296-A299 PolarHBondContact O-N 3.26Å; F296-A299 VanDerWaalsContact O-N 3.15Å; F296-C300 VanDerWaalsContact O-CB 3.31Å; F296-C300 WeakPolarHBondContact O-CB 3.39Å; F296-C300 PolarHBondContact O-N 3.09Å
297	T	81.5	Confident	85.2	Confident	37 Å²	37	81.3 Å²	81.3	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-49.2	-45.1	-179.6	-57.2	0	0	0	0	112.8	C290 G294 F295 K301	C290-T297 WeakPolarHBondContact O-CA 3.36Å; C290-T297 WeakPolarHBondContact O-CB 3.33Å; C290-T297 WeakPolarHBondContact O-CG2 3.15Å; C290-T297 PolarHBondContact O-OG1 3.46Å; G294-T297 PolarHBondContact N-OG1 3.04Å; G294-T297 WeakPolarHBondContact O-CB 3.26Å; G294-T297 PolarHBondContact O-N 3.49Å; G294-T297 VanDerWaalsContact O-N 3.1Å; G294-T297 PolarHBondContact O-OG1 2.67Å; F295-T297 VanDerWaalsContact C-N 3.31Å; F295-T297 PolarHBondContact O-N 3.41Å; T297-K301 HydrophobicContact CG2-CD 4.22Å; T297-K301 WeakPolarHBondContact O-CG 3.36Å; T297-K301 PolarHBondContact O-N 3.07Å
298	A	81.6	Confident	85.3	Confident	71 Å²	71	77.6 Å²	77.6	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-68.4	-47.7	-179.2	0	0	0	0	0	112.3	F296 C300 K301 E302	F296-A298 VanDerWaalsContact C-N 3.26Å; F296-A298 PolarHBondContact O-N 3.42Å; F296-A298 VanDerWaalsContact O-N 3.17Å; A298-C300 VanDerWaalsContact C-N 3.29Å; A298-C300 PolarHBondContact O-N 2.04Å; A298-K301 PolarHBondContact O-N 2.76Å; A298-E302 WeakPolarHBondContact O-CB 3.29Å; A298-E302 PolarHBondContact O-N 3.09Å
299	A	83.7	Confident	85.1	Confident	52 Å²	52	77.5 Å²	77.5	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-31.7	178	0	0	0	0	0	112.4	F296 A303	F296-A299 PolarHBondContact O-N 3.26Å; F296-A299 VanDerWaalsContact O-N 3.15Å; A299-A303 VanDerWaalsContact O-CB 3.24Å; A299-A303 WeakPolarHBondContact O-CB 3.37Å; A299-A303 PolarHBondContact O-N 3.25Å
300	C	90.1	Very high	84.9	Confident	20 Å²	20	79.3 Å²	79.3	14%	0.135	42%	0.416	C	S	.	.	H	α-helix	trans	-66.7	-47.2	173.3	-177.8	0	0	0	0	111.3	C290 M293 F296 A298 E302 A303 I304	C290-C300 WeakPolarHBondContact CA-SG 3.34Å; C290-C300 HydrophobicContact CB-CB 3.64Å; C290-C300 WeakPolarHBondContact CB-SG 3.27Å; C290-C300 WeakPolarHBondContact SG-CB 3.38Å; C290-C300 CovalentContact SG-SG 2.04Å; C290-C300 PolarHBondContact SG-SG 2.84Å; M293-C300 HydrophobicContact SD-CB 3.81Å; F296-C300 VanDerWaalsContact O-CB 3.31Å; F296-C300 WeakPolarHBondContact O-CB 3.39Å; F296-C300 PolarHBondContact O-N 3.09Å; A298-C300 VanDerWaalsContact C-N 3.29Å; A298-C300 PolarHBondContact O-N 2.04Å; C300-E302 PolarHBondContact O-N 3.13Å; C300-A303 PolarHBondContact O-N 3.01Å; C300-I304 WeakPolarHBondContact O-CG1 3.2Å; C300-I304 PolarHBondContact O-N 3.43Å
301	K	90.3	Very high	84.6	Confident	81 Å²	81	83.6 Å²	83.6	35%	0.352	44%	0.439	S	S	.	.	H	α-helix	trans	-59.4	-45.3	173.8	-75.9	168.1	177.9	-70.3	0	112	D286 C290 T297 A298 I304 E305	D286-K301 WeakPolarHBondContact OD1-CE 3.39Å; D286-K301 WeakPolarHBondContact OD1-CG 3.3Å; D286-K301 IonicContact OD1-NZ 2.72Å; D286-K301 PolarHBondContact OD1-NZ 3.34Å; D286-K301 IonicContact OD2-NZ 3.87Å; D286-K301 PolarHBondContact OD2-NZ 3Å; C290-K301 HydrophobicContact CB-CG 4.12Å; T297-K301 HydrophobicContact CG2-CD 4.22Å; T297-K301 WeakPolarHBondContact O-CG 3.36Å; T297-K301 PolarHBondContact O-N 3.07Å; A298-K301 PolarHBondContact O-N 2.76Å; K301-I304 PolarHBondContact O-N 2.87Å; K301-E305 PolarHBondContact O-N 3.31Å
302	E	89.1	Confident	84.7	Confident	143 Å²	143	80.4 Å²	80.4	67%	0.668	42%	0.419	S	S	*	.	H	α-helix	trans	-62.2	-42.1	176.7	-173.8	173.6	-159.3	0	0	112.1	A298 C300 E305 Y306	A298-E302 WeakPolarHBondContact O-CB 3.29Å; A298-E302 PolarHBondContact O-N 3.09Å; C300-E302 PolarHBondContact O-N 3.13Å; E302-E305 PolarHBondContact O-N 3.43Å; E302-Y306 WeakPolarHBondContact O-CB 3.41Å; E302-Y306 PolarHBondContact O-N 2.79Å
303	A	85.2	Confident	84.7	Confident	46 Å²	46	78.3 Å²	78.3	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-33.5	174.9	0	0	0	0	0	113.1	A299 C300 N307	A299-A303 VanDerWaalsContact O-CB 3.24Å; A299-A303 WeakPolarHBondContact O-CB 3.37Å; A299-A303 PolarHBondContact O-N 3.25Å; C300-A303 PolarHBondContact O-N 3.01Å; A303-N307 WeakPolarHBondContact O-CA 3.12Å; A303-N307 VanDerWaalsContact O-CB 3.24Å; A303-N307 WeakPolarHBondContact O-CB 3.17Å; A303-N307 PolarHBondContact O-N 3.23Å
304	I	88.3	Confident	84.9	Confident	19 Å²	19	75.6 Å²	75.6	10%	0.097	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-54.6	169.2	-68.2	173.6	0	0	0	109.2	K282 I285 D286 C290 C300 K301 Y306 F308	K282-I304 HydrophobicContact CB-CG2 4.36Å; K282-I304 HydrophobicContact CD-CG2 4.38Å; K282-I304 HydrophobicContact CG-CG2 4.08Å; I285-I304 HydrophobicContact CB-CD1 3.83Å; I285-I304 HydrophobicContact CG2-CD1 3.62Å; I285-I304 HydrophobicContact CG2-CG1 4.24Å; D286-I304 HydrophobicContact CB-CD1 4.48Å; C290-I304 WeakPolarHBondContact SG-CD1 3.5Å; C300-I304 WeakPolarHBondContact O-CG1 3.2Å; C300-I304 PolarHBondContact O-N 3.43Å; K301-I304 PolarHBondContact O-N 2.87Å; I304-Y306 VanDerWaalsContact C-N 3.27Å; I304-Y306 PolarHBondContact O-N 2.91Å; I304-F308 HydrophobicContact CG2-CB 4.04Å; I304-F308 HydrophobicContact CG2-CD2 4.31Å; I304-F308 HydrophobicContact CG2-CG 4.43Å; I304-F308 WeakPolarHBondContact O-CA 3.3Å; I304-F308 WeakPolarHBondContact O-CB 3.44Å; I304-F308 PolarHBondContact O-N 3.12Å
305	E	86.5	Confident	84.8	Confident	132 Å²	132	76.8 Å²	76.8	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-61.9	-34.8	-175.7	-69.7	-62.4	179.8	0	0	113.5	K282 K301 E302	K282-E305 IonicContact NZ-OE2 2.84Å; K282-E305 PolarHBondContact NZ-OE2 2.94Å; K301-E305 PolarHBondContact O-N 3.31Å; E302-E305 PolarHBondContact O-N 3.43Å
306	Y	85.8	Confident	84.9	Confident	170 Å²	170	70.8 Å²	70.8	67%	0.667	37%	0.373	S	S	*	.	H	α-helix	trans	-88.6	-35.7	-178.4	-163.4	-99.8	0	0	0	114.7	E302 I304 Q310	E302-Y306 WeakPolarHBondContact O-CB 3.41Å; E302-Y306 PolarHBondContact O-N 2.79Å; I304-Y306 VanDerWaalsContact C-N 3.27Å; I304-Y306 PolarHBondContact O-N 2.91Å; Y306-Q310 PolarHBondContact O-NE2 3.36Å
307	N	87.3	Confident	85	Confident	56 Å²	56	72.3 Å²	72.3	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-111.1	-13.9	-173	-58.7	102.1	0	0	0	114.6	A303 D309 Q310 I311	A303-N307 WeakPolarHBondContact O-CA 3.12Å; A303-N307 VanDerWaalsContact O-CB 3.24Å; A303-N307 WeakPolarHBondContact O-CB 3.17Å; A303-N307 PolarHBondContact O-N 3.23Å; N307-D309 VanDerWaalsContact C-N 3.31Å; N307-D309 PolarHBondContact O-N 3.23Å; N307-Q310 PolarHBondContact ND2-OE1 2.56Å; N307-Q310 WeakPolarHBondContact O-CA 3.26Å; N307-Q310 WeakPolarHBondContact O-CB 3.48Å; N307-Q310 PolarHBondContact O-N 3.41Å; N307-I311 HydrophobicContact CB-CD1 4.25Å; N307-I311 VanDerWaalsContact O-CG1 3.31Å; N307-I311 WeakPolarHBondContact O-CG1 3.43Å; N307-I311 PolarHBondContact O-N 2.88Å
308	F	88.8	Confident	85	Confident	7 Å²	7	73.7 Å²	73.7	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-56.4	-46.2	-179.7	179.1	-88.9	0	0	0	111.8	Q278 L281 K282 I285 I304 Q310 I311 I312	Q278-F308 HydrophobicContact CB-CE1 4.06Å; Q278-F308 HydrophobicContact CB-CZ 4.39Å; Q278-F308 HydrophobicContact CG-CE1 4.4Å; Q278-F308 WeakPolarHBondContact O-CZ 3.46Å; L281-F308 HydrophobicContact CB-CE2 4.13Å; L281-F308 HydrophobicContact CB-CZ 4.03Å; L281-F308 HydrophobicContact CD2-CE2 3.91Å; L281-F308 HydrophobicContact CD2-CZ 4.12Å; L281-F308 HydrophobicContact CG-CE2 3.88Å; L281-F308 HydrophobicContact CG-CZ 4.22Å; K282-F308 HydrophobicContact CD-CD1 4.03Å; K282-F308 HydrophobicContact CD-CE1 4.23Å; K282-F308 HydrophobicContact CD-CG 4.34Å; K282-F308 HydrophobicContact CG-CD1 3.63Å; K282-F308 HydrophobicContact CG-CD2 3.82Å; K282-F308 HydrophobicContact CG-CE1 3.53Å; K282-F308 HydrophobicContact CG-CE2 3.75Å; K282-F308 HydrophobicContact CG-CG 3.76Å; K282-F308 HydrophobicContact CG-CZ 3.61Å; I285-F308 HydrophobicContact CD1-CD2 4.27Å; I285-F308 HydrophobicContact CD1-CE2 4.1Å; I304-F308 HydrophobicContact CG2-CB 4.04Å; I304-F308 HydrophobicContact CG2-CD2 4.31Å; I304-F308 HydrophobicContact CG2-CG 4.43Å; I304-F308 WeakPolarHBondContact O-CA 3.3Å; I304-F308 WeakPolarHBondContact O-CB 3.44Å; I304-F308 PolarHBondContact O-N 3.12Å; F308-Q310 PolarHBondContact O-N 2.95Å; F308-I311 PolarHBondContact O-N 3.42Å; F308-I312 HydrophobicContact CD1-CG1 3.71Å; F308-I312 HydrophobicContact CD2-CG1 4.44Å; F308-I312 HydrophobicContact CE1-CD1 4.12Å; F308-I312 HydrophobicContact CE1-CG1 3.42Å; F308-I312 VanDerWaalsContact CE1-CG1 3.42Å; F308-I312 HydrophobicContact CE2-CD1 4.42Å; F308-I312 HydrophobicContact CE2-CG1 4.18Å; F308-I312 HydrophobicContact CG-CG1 4.24Å; F308-I312 HydrophobicContact CZ-CD1 3.9Å; F308-I312 HydrophobicContact CZ-CG1 3.66Å; F308-I312 VanDerWaalsContact O-CB 3.23Å; F308-I312 WeakPolarHBondContact O-CB 3.22Å; F308-I312 VanDerWaalsContact O-CG1 3.29Å; F308-I312 WeakPolarHBondContact O-CG1 3.46Å; F308-I312 PolarHBondContact O-N 3.03Å
309	D	86	Confident	85.1	Confident	80 Å²	80	72.6 Å²	72.6	43%	0.428	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-32.3	179.7	-63.7	14.1	0	0	0	111.3	K282 N307 N313	K282-D309 WeakPolarHBondContact CE-OD1 3.31Å; K282-D309 IonicContact NZ-OD1 2.6Å; K282-D309 PolarHBondContact NZ-OD1 2.97Å; N307-D309 VanDerWaalsContact C-N 3.31Å; N307-D309 PolarHBondContact O-N 3.23Å; D309-N313 VanDerWaalsContact O-CB 3.31Å; D309-N313 WeakPolarHBondContact O-CB 3.31Å; D309-N313 PolarHBondContact O-N 3.1Å; D309-N313 PolarHBondContact O-ND2 2.89Å; D309-N313 VanDerWaalsContact O-ND2 3.15Å
310	Q	84	Confident	85.2	Confident	104 Å²	104	70.2 Å²	70.2	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-71.9	-43.8	174.1	-55.7	177.3	23.6	0	0	111.8	Y306 N307 F308 N313 G314	Y306-Q310 PolarHBondContact O-NE2 3.36Å; N307-Q310 PolarHBondContact ND2-OE1 2.56Å; N307-Q310 WeakPolarHBondContact O-CA 3.26Å; N307-Q310 WeakPolarHBondContact O-CB 3.48Å; N307-Q310 PolarHBondContact O-N 3.41Å; F308-Q310 PolarHBondContact O-N 2.95Å; Q310-N313 PolarHBondContact O-N 3.36Å; Q310-G314 PolarHBondContact O-N 3.35Å
311	I	82.2	Confident	84.9	Confident	91 Å²	91	70.8 Å²	70.8	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-45.7	176.4	-67.9	161.9	0	0	0	110.1	N307 F308 G314 M315	N307-I311 HydrophobicContact CB-CD1 4.25Å; N307-I311 VanDerWaalsContact O-CG1 3.31Å; N307-I311 WeakPolarHBondContact O-CG1 3.43Å; N307-I311 PolarHBondContact O-N 2.88Å; F308-I311 PolarHBondContact O-N 3.42Å; I311-G314 PolarHBondContact O-N 2.69Å; I311-M315 HydrophobicContact CG2-CE 3.76Å; I311-M315 HydrophobicContact CG2-SD 4.22Å; I311-M315 WeakPolarHBondContact O-CG 3.38Å; I311-M315 PolarHBondContact O-N 3.29Å
312	I	86.8	Confident	84.6	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.015	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-42.4	176	-77.6	-63.6	0	0	0	111.2	V272 Q278 L281 F308 M315 K316	V272-I312 HydrophobicContact CB-CD1 4.47Å; V272-I312 HydrophobicContact CG1-CB 4.33Å; V272-I312 HydrophobicContact CG1-CD1 3.86Å; V272-I312 HydrophobicContact CG1-CG2 3.84Å; V272-I312 WeakPolarHBondContact CG1-O 3.07Å; V272-I312 WeakPolarHBondContact O-CG2 3.24Å; Q278-I312 HydrophobicContact CG-CG2 4.27Å; L281-I312 HydrophobicContact CD2-CD1 4.23Å; F308-I312 HydrophobicContact CD1-CG1 3.71Å; F308-I312 HydrophobicContact CD2-CG1 4.44Å; F308-I312 HydrophobicContact CE1-CD1 4.12Å; F308-I312 HydrophobicContact CE1-CG1 3.42Å; F308-I312 VanDerWaalsContact CE1-CG1 3.42Å; F308-I312 HydrophobicContact CE2-CD1 4.42Å; F308-I312 HydrophobicContact CE2-CG1 4.18Å; F308-I312 HydrophobicContact CG-CG1 4.24Å; F308-I312 HydrophobicContact CZ-CD1 3.9Å; F308-I312 HydrophobicContact CZ-CG1 3.66Å; F308-I312 VanDerWaalsContact O-CB 3.23Å; F308-I312 WeakPolarHBondContact O-CB 3.22Å; F308-I312 VanDerWaalsContact O-CG1 3.29Å; F308-I312 WeakPolarHBondContact O-CG1 3.46Å; F308-I312 PolarHBondContact O-N 3.03Å; I312-M315 PolarHBondContact O-N 2.89Å; I312-K316 VanDerWaalsContact CG2-CE 3.46Å; I312-K316 WeakPolarHBondContact O-CG 3.47Å; I312-K316 PolarHBondContact O-N 3.4Å
313	N	83.4	Confident	84.3	Confident	72 Å²	72	69 Å²	69	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-39	175.9	-68.9	-18.9	0	0	0	111.8	D309 Q310 M315 K316 E317	D309-N313 VanDerWaalsContact O-CB 3.31Å; D309-N313 WeakPolarHBondContact O-CB 3.31Å; D309-N313 PolarHBondContact O-N 3.1Å; D309-N313 PolarHBondContact O-ND2 2.89Å; D309-N313 VanDerWaalsContact O-ND2 3.15Å; Q310-N313 PolarHBondContact O-N 3.36Å; N313-M315 VanDerWaalsContact C-N 3.34Å; N313-M315 PolarHBondContact O-N 3.33Å; N313-K316 WeakPolarHBondContact O-CB 3.03Å; N313-K316 PolarHBondContact O-N 2.73Å; N313-K316 VanDerWaalsContact O-N 3.09Å; N313-K316 PolarHBondContact OD1-NZ 3.49Å; N313-E317 WeakPolarHBondContact O-CG 3.14Å; N313-E317 PolarHBondContact O-N 2.84Å
314	G	82.1	Confident	84.3	Confident	34 Å²	34	66.9 Å²	66.9	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-44.6	169.7	0	0	0	0	0	112.6	Q310 I311 K316 E317 V318	Q310-G314 PolarHBondContact O-N 3.35Å; I311-G314 PolarHBondContact O-N 2.69Å; G314-K316 VanDerWaalsContact C-N 3.32Å; G314-K316 PolarHBondContact O-N 3.39Å; G314-E317 PolarHBondContact O-N 2.85Å; G314-V318 WeakPolarHBondContact O-CG2 3.41Å; G314-V318 PolarHBondContact O-N 2.99Å
315	M	78.8	Confident	84	Confident	75 Å²	75	67 Å²	67	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-31.5	174.3	-72.5	173.5	179.4	0	0	113.2	V272 I311 I312 N313 E317	V272-M315 HydrophobicContact CG1-CB 3.68Å; V272-M315 HydrophobicContact CG2-CB 4.36Å; I311-M315 HydrophobicContact CG2-CE 3.76Å; I311-M315 HydrophobicContact CG2-SD 4.22Å; I311-M315 WeakPolarHBondContact O-CG 3.38Å; I311-M315 PolarHBondContact O-N 3.29Å; I312-M315 PolarHBondContact O-N 2.89Å; N313-M315 VanDerWaalsContact C-N 3.34Å; N313-M315 PolarHBondContact O-N 3.33Å; M315-E317 VanDerWaalsContact C-N 3.34Å
316	K	82.1	Confident	83.7	Confident	65 Å²	65	65 Å²	65	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-69.1	-31.9	170.5	-66.4	165.8	-163.4	162.3	0	112.1	K269 V272 I312 N313 G314	K269-K316 WeakPolarHBondContact CE-O 3.29Å; K269-K316 PolarHBondContact NZ-O 2.86Å; V272-K316 HydrophobicContact CB-CG 4.44Å; V272-K316 HydrophobicContact CG1-CG 3.68Å; V272-K316 WeakPolarHBondContact O-CE 3.47Å; I312-K316 VanDerWaalsContact CG2-CE 3.46Å; I312-K316 WeakPolarHBondContact O-CG 3.47Å; I312-K316 PolarHBondContact O-N 3.4Å; N313-K316 WeakPolarHBondContact O-CB 3.03Å; N313-K316 PolarHBondContact O-N 2.73Å; N313-K316 VanDerWaalsContact O-N 3.09Å; N313-K316 PolarHBondContact OD1-NZ 3.49Å; G314-K316 VanDerWaalsContact C-N 3.32Å; G314-K316 PolarHBondContact O-N 3.39Å
317	E	81.3	Confident	83.4	Confident	161 Å²	161	63.2 Å²	63.2	75%	0.752	32%	0.323	S	S	*	.	H	α-helix	trans	-78.6	-34.1	-174.5	-75.7	174.6	-168.8	0	0	112.7	N313 G314 M315 D319	N313-E317 WeakPolarHBondContact O-CG 3.14Å; N313-E317 PolarHBondContact O-N 2.84Å; G314-E317 PolarHBondContact O-N 2.85Å; M315-E317 VanDerWaalsContact C-N 3.34Å; E317-D319 PolarHBondContact O-N 3.12Å
318	V	82	Confident	82.9	Confident	66 Å²	66	63.5 Å²	63.5	40%	0.4	34%	0.339	S	S	.	.	S	Bend	trans	-56.1	132	178.4	-166.5	0	0	0	0	112.1	K269 G314 P320 I323	K269-V318 PolarHBondContact NZ-O 3.19Å; G314-V318 WeakPolarHBondContact O-CG2 3.41Å; G314-V318 PolarHBondContact O-N 2.99Å; V318-P320 WeakPolarHBondContact O-CD 3.45Å; V318-I323 HydrophobicContact CG1-CD1 3.72Å; V318-I323 HydrophobicContact CG1-CG1 3.84Å
319	D	84.3	Confident	82.6	Confident	47 Å²	47	66.1 Å²	66.1	25%	0.251	35%	0.352	S	S	.	.			trans	-80.2	121.3	174.9	-176.8	2.4	0	0	0	111.2	E317 K321 E322 I323	E317-D319 PolarHBondContact O-N 3.12Å; D319-K321 PolarHBondContact O-N 3.41Å; D319-K321 VanDerWaalsContact O-N 3.11Å; D319-K321 WeakPolarHBondContact OD1-CB 3.34Å; D319-K321 PolarHBondContact OD1-N 2.77Å; D319-K321 WeakPolarHBondContact OD2-CB 3.47Å; D319-E322 HydrophobicContact CB-CB 4.27Å; D319-E322 HydrophobicContact CB-CG 4.02Å; D319-E322 PolarHBondContact O-N 3.42Å; D319-I323 PolarHBondContact O-N 2.8Å
320	P	85.6	Confident	82.2	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-47.9	-34.6	168.4	-31	38.8	0	0	0	113.7	L262 L265 N266 K269 V318 I323 C324	L262-P320 HydrophobicContact CD2-CB 4.13Å; L265-P320 HydrophobicContact CB-CB 3.8Å; N266-P320 WeakPolarHBondContact OD1-CG 3.34Å; K269-P320 HydrophobicContact CD-CG 4.19Å; V318-P320 WeakPolarHBondContact O-CD 3.45Å; P320-I323 PolarHBondContact O-N 3.38Å; P320-C324 WeakPolarHBondContact O-CB 3.41Å; P320-C324 PolarHBondContact O-N 3.17Å; P320-C324 PolarHBondContact O-SG 2.86Å
321	K	83.7	Confident	81.4	Confident	31 Å²	31	63.4 Å²	63.4	14%	0.135	35%	0.346	C	S	.	.	H	α-helix	trans	-71.4	-34	179.7	-166.5	177.8	-179.7	112.2	0	112.9	L262 D319 C324 S325 E333 Y334	L262-K321 HydrophobicContact CD2-CB 4.01Å; L262-K321 HydrophobicContact CD2-CG 4.47Å; D319-K321 PolarHBondContact O-N 3.41Å; D319-K321 VanDerWaalsContact O-N 3.11Å; D319-K321 WeakPolarHBondContact OD1-CB 3.34Å; D319-K321 PolarHBondContact OD1-N 2.77Å; D319-K321 WeakPolarHBondContact OD2-CB 3.47Å; K321-C324 PolarHBondContact O-N 2.82Å; K321-S325 WeakPolarHBondContact O-CB 3.2Å; K321-S325 PolarHBondContact O-N 3.4Å; K321-S325 PolarHBondContact O-OG 3.26Å; K321-E333 WeakPolarHBondContact CE-O 3.47Å; K321-E333 PolarHBondContact NZ-O 3.06Å; K321-Y334 PolarHBondContact NZ-O 2.99Å
322	E	83.3	Confident	79.9	Confident	134 Å²	134	64.9 Å²	64.9	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-45.5	172.6	-75.3	-172.1	149.9	0	0	110.9	D319 S325 L326	D319-E322 HydrophobicContact CB-CB 4.27Å; D319-E322 HydrophobicContact CB-CG 4.02Å; D319-E322 PolarHBondContact O-N 3.42Å; E322-S325 CarbonylContact O-C 3.54Å; E322-S325 PolarHBondContact O-N 2.9Å; E322-S325 VanDerWaalsContact O-N 3.16Å; E322-L326 WeakPolarHBondContact O-CB 3.48Å; E322-L326 PolarHBondContact O-N 3.42Å
323	I	84	Confident	78	Confident	54 Å²	54	71.9 Å²	71.9	28%	0.277	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-45.2	177	-54.2	170	0	0	0	110.7	L265 V318 D319 P320 S325 L326 F327	L265-I323 HydrophobicContact CD1-CB 3.51Å; L265-I323 HydrophobicContact CD1-CD1 4.17Å; L265-I323 HydrophobicContact CD1-CG1 4.45Å; L265-I323 HydrophobicContact CD1-CG2 3.34Å; V318-I323 HydrophobicContact CG1-CD1 3.72Å; V318-I323 HydrophobicContact CG1-CG1 3.84Å; D319-I323 PolarHBondContact O-N 2.8Å; P320-I323 PolarHBondContact O-N 3.38Å; I323-S325 PolarHBondContact O-N 3.21Å; I323-L326 WeakPolarHBondContact O-CB 3.39Å; I323-L326 PolarHBondContact O-N 2.84Å; I323-L326 VanDerWaalsContact O-N 3.08Å; I323-F327 HydrophobicContact CG2-CD2 3.8Å; I323-F327 HydrophobicContact CG2-CE2 3.56Å; I323-F327 VanDerWaalsContact O-CD2 3.29Å; I323-F327 WeakPolarHBondContact O-CD2 3.31Å; I323-F327 PolarHBondContact O-N 3.45Å
324	C	83.4	Confident	75.5	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-27.9	175.2	-66.9	0	0	0	0	113.2	C261 L262 P320 K321 G328 M329 C330	C261-C324 HydrophobicContact CB-CB 3.93Å; C261-C324 WeakPolarHBondContact CB-SG 3.4Å; C261-C324 WeakPolarHBondContact SG-CA 3.39Å; C261-C324 WeakPolarHBondContact SG-CB 3.24Å; C261-C324 CovalentContact SG-SG 2.04Å; C261-C324 PolarHBondContact SG-SG 3.39Å; L262-C324 PolarHBondContact N-SG 3.34Å; P320-C324 WeakPolarHBondContact O-CB 3.41Å; P320-C324 PolarHBondContact O-N 3.17Å; P320-C324 PolarHBondContact O-SG 2.86Å; K321-C324 PolarHBondContact O-N 2.82Å; C324-G328 PolarHBondContact O-N 3.41Å; C324-M329 PolarHBondContact O-N 3.19Å; C324-C330 HydrophobicContact CB-CB 3.92Å; C324-C330 WeakPolarHBondContact CB-SG 3.44Å; C324-C330 PolarHBondContact O-N 3.03Å; C324-C330 VanDerWaalsContact O-N 3.1Å
325	S	83.5	Confident	73	Confident	23 Å²	23	82.5 Å²	82.5	16%	0.161	43%	0.431	C	S	.	.	H	α-helix	trans	-82.8	-18.2	173.7	-54.8	0	0	0	0	113	K232 K321 E322 I323	K232-S325 PolarHBondContact NZ-O 3.04Å; K321-S325 WeakPolarHBondContact O-CB 3.2Å; K321-S325 PolarHBondContact O-N 3.4Å; K321-S325 PolarHBondContact O-OG 3.26Å; E322-S325 CarbonylContact O-C 3.54Å; E322-S325 PolarHBondContact O-N 2.9Å; E322-S325 VanDerWaalsContact O-N 3.16Å; I323-S325 PolarHBondContact O-N 3.21Å
326	L	80.2	Confident	70.6	Confident	89 Å²	89	85 Å²	85	47%	0.466	45%	0.445	S	S	.	.	H	α-helix	trans	-74.4	-42.8	168.6	-177	64.3	0	0	0	110.7	F233 E322 I323 G328	F233-L326 HydrophobicContact CD2-CD1 4.33Å; F233-L326 HydrophobicContact CE2-CD1 4.09Å; E322-L326 WeakPolarHBondContact O-CB 3.48Å; E322-L326 PolarHBondContact O-N 3.42Å; I323-L326 WeakPolarHBondContact O-CB 3.39Å; I323-L326 PolarHBondContact O-N 2.84Å; I323-L326 VanDerWaalsContact O-N 3.08Å; L326-G328 PolarHBondContact O-N 3.23Å
327	F	78.7	Confident	68.1	Low	132 Å²	132	86.1 Å²	86.1	58%	0.579	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.9	171.4	-68	-63.5	0	0	0	114.2	I323 M329	I323-F327 HydrophobicContact CG2-CD2 3.8Å; I323-F327 HydrophobicContact CG2-CE2 3.56Å; I323-F327 VanDerWaalsContact O-CD2 3.29Å; I323-F327 WeakPolarHBondContact O-CD2 3.31Å; I323-F327 PolarHBondContact O-N 3.45Å; F327-M329 HydrophobicContact CB-CG 4.17Å; F327-M329 HydrophobicContact CB-SD 4.43Å; F327-M329 PolarHBondContact O-N 3.42Å
328	G	76	Confident	65.9	Low	62 Å²	62	81.5 Å²	81.5	64%	0.639	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	16.1	177.8	0	0	0	0	0	114.8	C324 L326	C324-G328 PolarHBondContact O-N 3.41Å; L326-G328 PolarHBondContact O-N 3.23Å
329	M	82.6	Confident	63.4	Low	63 Å²	63	79.9 Å²	79.9	31%	0.31	43%	0.43	S	S	.	.	S	Bend	trans	-84.1	-27.5	178.5	-59.8	-175	72	0	0	112.2	P256 C258 C261 C324 F327	P256-M329 HydrophobicContact CB-CE 3.69Å; P256-M329 HydrophobicContact CG-CE 3.92Å; P256-M329 WeakPolarHBondContact O-CE 3.39Å; C258-M329 VanDerWaalsContact CA-O 3.32Å; C258-M329 WeakPolarHBondContact CA-O 3.25Å; C258-M329 WeakPolarHBondContact CB-O 3.27Å; C258-M329 PolarHBondContact N-O 2.99Å; C261-M329 HydrophobicContact CB-CB 3.97Å; C261-M329 HydrophobicContact CB-CE 3.79Å; C261-M329 HydrophobicContact CB-CG 4.47Å; C261-M329 HydrophobicContact CB-SD 3.71Å; C324-M329 PolarHBondContact O-N 3.19Å; F327-M329 HydrophobicContact CB-CG 4.17Å; F327-M329 HydrophobicContact CB-SD 4.43Å; F327-M329 PolarHBondContact O-N 3.42Å
330	C	78.5	Confident	61	Low	11 Å²	11	78.9 Å²	78.9	7%	0.074	42%	0.424	C	S	.	.	S	Bend	trans	-113.9	150.2	173.2	-69.1	0	0	0	0	112.4	C258 C324	C258-C330 WeakPolarHBondContact CA-SG 3.3Å; C258-C330 HydrophobicContact CB-CB 3.95Å; C258-C330 WeakPolarHBondContact CB-SG 3.28Å; C258-C330 WeakPolarHBondContact SG-CB 3.36Å; C258-C330 CovalentContact SG-SG 2.04Å; C258-C330 PolarHBondContact SG-SG 3.36Å; C324-C330 HydrophobicContact CB-CB 3.92Å; C324-C330 WeakPolarHBondContact CB-SG 3.44Å; C324-C330 PolarHBondContact O-N 3.03Å; C324-C330 VanDerWaalsContact O-N 3.1Å
331	T	67.7	Low	58.5	Low	115 Å²	115	80.3 Å²	80.3	71%	0.706	43%	0.43	S	S	*	.			trans	-90.6	152	166.5	46.6	0	0	0	0	110.8	E333	T331-E333 VanDerWaalsContact C-N 3.27Å; T331-E333 PolarHBondContact O-N 2.89Å
332	S	50.1	Low	55.9	Low	122 Å²	122	81.4 Å²	81.4	85%	0.853	44%	0.437	S	S	*	.	S	Bend	trans	-79.3	61.3	-171.4	-177.2	0	0	0	0	113.4
333	E	47.6	Very low	53.2	Low	150 Å²	150	80.9 Å²	80.9	70%	0.701	44%	0.438	S	S	*	.			trans	-147.7	107.3	179.9	-154.9	162.2	-148.2	0	0	111.8	K321 T331	K321-E333 WeakPolarHBondContact CE-O 3.47Å; K321-E333 PolarHBondContact NZ-O 3.06Å; T331-E333 VanDerWaalsContact C-N 3.27Å; T331-E333 PolarHBondContact O-N 2.89Å
334	Y	29.4	Very low	51.3	Low	203 Å²	203	82.1 Å²	82.1	80%	0.796	45%	0.449	S	S	*	.			trans	47.9	152.8	162	-76.4	-85	0	0	0	123.7	K321	K321-Y334 PolarHBondContact NZ-O 2.99Å
335	I	29.5	Very low	48.7	Very low	127 Å²	127	85 Å²	85	65%	0.651	47%	0.469	S	S	*	.			trans	78	96.3	168.1	-44	-173.3	0	0	0	118.2
336	D	28.7	Very low	46.1	Very low	126 Å²	126	86.9 Å²	86.9	67%	0.674	48%	0.477	S	S	*	.				50.5	111.6	126	-45.6	-27.6	0	0	0	124.3
337	L	29.5	Very low	43.8	Very low	90 Å²	90	87.3 Å²	87.3	47%	0.471	49%	0.488	S	S	.	.				27.9	159.5	115.2	-78.8	94	0	0	0	121.7
338	P	36	Very low	41.5	Very low	63 Å²	63	86.3 Å²	86.3	41%	0.409	49%	0.492	S	S	.	.			cis	-146.7	-174.6	-39	43	-23	0	0	0	114.9	N266 K269	N266-P338 VanDerWaalsContact CG-CA 3.41Å; N266-P338 WeakPolarHBondContact OD1-CA 3.26Å; K269-P338 HydrophobicContact CB-CB 4.34Å; K269-P338 HydrophobicContact CD-CB 4.08Å; K269-P338 HydrophobicContact CG-CB 4.07Å
339	S	30.2	Very low	39.3	Very low	32 Å²	32	88.7 Å²	88.7	22%	0.224	50%	0.499	C	S	.	.			trans	111.5	88.4	133.2	-66	0	0	0	0	131.6	N266 K269 T270	N266-S339 CarbonylContact O-C 3.55Å; N266-S339 WeakPolarHBondContact O-CA 3.2Å; N266-S339 PolarHBondContact O-N 2.98Å; K269-S339 PolarHBondContact O-OG 3.14Å; T270-S339 VanDerWaalsContact CB-O 3.3Å; T270-S339 WeakPolarHBondContact CB-O 3.39Å; T270-S339 PolarHBondContact N-OG 2.81Å; T270-S339 VanDerWaalsContact N-OG 3.07Å; T270-S339 WeakPolarHBondContact OG1-CB 3.34Å; T270-S339 PolarHBondContact OG1-O 2.87Å
340	D	33.4	Very low	36.9	Very low	26 Å²	26	94.3 Å²	94.3	14%	0.139	52%	0.524	C	S	.	.			trans	85.9	145	137.2	-93.9	-48.5	0	0	0	143	N266 Q267 F268 K269 T270 G271 V272	N266-D340 PolarHBondContact O-N 3.01Å; Q267-D340 VanDerWaalsContact C-C 3.41Å; Q267-D340 VanDerWaalsContact C-N 3.27Å; Q267-D340 CarbonylContact O-C 3.47Å; Q267-D340 VanDerWaalsContact O-CA 3.3Å; Q267-D340 WeakPolarHBondContact O-CA 3.27Å; F268-D340 WeakPolarHBondContact CA-OD1 3.36Å; K269-D340 VanDerWaalsContact C-CG 3.47Å; K269-D340 WeakPolarHBondContact CA-OD2 3.31Å; K269-D340 PolarHBondContact N-OD1 3.37Å; K269-D340 PolarHBondContact N-OD2 3.27Å; T270-D340 VanDerWaalsContact N-N 3.15Å; T270-D340 PolarHBondContact N-OD2 2.98Å; G271-D340 WeakPolarHBondContact CA-OD2 3.36Å; G271-D340 PolarHBondContact N-OD2 2.82Å; V272-D340 VanDerWaalsContact CB-OD2 3.29Å; V272-D340 WeakPolarHBondContact CB-OD2 3.04Å; V272-D340 VanDerWaalsContact CG2-OD2 3.3Å; V272-D340 WeakPolarHBondContact CG2-OD2 3.46Å; V272-D340 PolarHBondContact N-OD2 3.48Å
341	K	32.7	Very low	34.7	Very low	33 Å²	33	101 Å²	101	14%	0.143	56%	0.559	C	S	.	*			trans	52.7	160.2	131.6	-90.7	-149.3	-173.7	156.4	0	124.2	Q267 G271 V272 I277	Q267-K341 PolarHBondContact O-N 2.92Å; G271-K341 VanDerWaalsContact C-CE 3.48Å; G271-K341 WeakPolarHBondContact O-CD 3.42Å; G271-K341 VanDerWaalsContact O-CE 3.29Å; G271-K341 WeakPolarHBondContact O-CE 3.34Å; G271-K341 PolarHBondContact O-NZ 2.93Å; V272-K341 HydrophobicContact CG2-CD 4.48Å; V272-K341 HydrophobicContact CG2-CG 4.11Å; V272-K341 VanDerWaalsContact N-CE 3.27Å; I277-K341 HydrophobicContact CB-CD 3.71Å; I277-K341 HydrophobicContact CD1-CB 4.01Å; I277-K341 HydrophobicContact CG2-CB 4.24Å; I277-K341 HydrophobicContact CG2-CD 3.5Å; I277-K341 VanDerWaalsContact CG2-CD 3.5Å; I277-K341 HydrophobicContact CG2-CG 4.47Å; I277-K341 PolarHBondContact O-NZ 3.37Å
342	M	28.3	Very low	33.2	Very low	55 Å²	55	102.7 Å²	102.7	27%	0.271	56%	0.563	S	S	.	*			cis	174.2	121.9	-37.3	171.4	176.3	-167.7	0	0	113.7	F268 L281	F268-M342 HydrophobicContact CE2-CB 4.43Å; F268-M342 HydrophobicContact CE2-CG 4.43Å; F268-M342 HydrophobicContact CE2-SD 4.09Å; F268-M342 HydrophobicContact CZ-CE 4.46Å; F268-M342 HydrophobicContact CZ-SD 4.03Å; L281-M342 HydrophobicContact CD1-CE 3.56Å; L281-M342 HydrophobicContact CD1-SD 4.01Å; L281-M342 HydrophobicContact CD2-CE 3.89Å; L281-M342 HydrophobicContact CD2-SD 3.74Å; L281-M342 HydrophobicContact CG-CE 4.4Å; L281-M342 HydrophobicContact CG-SD 4.47Å
343	L	27.5	Very low	33.3	Very low	123 Å²	123	102.8 Å²	102.8	64%	0.644	56%	0.561	S	S	*	*			trans	52.6	166.1	149.8	-86.6	67.3	0	0	0	125.1	L284	L284-L343 WeakPolarHBondContact CD1-O 3.17Å
344	P	43.2	Very low	34.3	Very low	79 Å²	79	97.9 Å²	97.9	51%	0.513	55%	0.55	S	S	.	.			trans	-138.1	178.2	-165.2	45.9	-28.7	0	0	0	118.7	L284 K288	L284-P344 WeakPolarHBondContact CD2-O 3.25Å; K288-P344 WeakPolarHBondContact CE-O 3.3Å
345	S	29	Very low	36.8	Very low	60 Å²	60	91 Å²	91	42%	0.42	53%	0.529	S	S	.	.			trans	-122.9	151.3	168.6	42.2	0	0	0	0	114.6	L284 E287	L284-S345 WeakPolarHBondContact CD2-OG 3.37Å; E287-S345 WeakPolarHBondContact OE2-CB 3.12Å; E287-S345 PolarHBondContact OE2-OG 3.32Å
346	L	28.8	Very low	39.4	Very low	64 Å²	64	87.1 Å²	87.1	34%	0.335	51%	0.513	S	S	.	.				140.9	121	73.8	-129.9	74.8	0	0	0	107.2	E287 K288	E287-L346 HydrophobicContact CB-CD2 4.35Å; E287-L346 WeakPolarHBondContact O-CD2 3.34Å; K288-L346 HydrophobicContact CD-CB 4.27Å; K288-L346 HydrophobicContact CD-CD1 3.94Å; K288-L346 HydrophobicContact CD-CD2 4.13Å; K288-L346 HydrophobicContact CD-CG 4.33Å; K288-L346 VanDerWaalsContact NZ-CD1 3.26Å
347	S	31.9	Very low	42.1	Very low	98 Å²	98	85.5 Å²	85.5	69%	0.685	51%	0.509	S	S	*	.				116.9	154.8	92.5	-34.6	0	0	0	0	109.5
348	T	30.3	Very low	44.8	Very low	111 Å²	111	81.9 Å²	81.9	68%	0.681	49%	0.49	S	S	*	.			cis	-159.2	161.7	-42.6	-58.5	0	0	0	0	106.8
349	S	29.8	Very low	47.4	Very low	111 Å²	111	78.9 Å²	78.9	78%	0.776	47%	0.47	S	S	*	.			trans	-115.5	168.4	-179.3	55.6	0	0	0	0	115
350	Q	31.9	Very low	50.2	Low	181 Å²	181	79.3 Å²	79.3	85%	0.846	47%	0.472	S	S	*	.			trans	-139.5	170.8	-179.9	-80.2	-173.4	-64.9	0	0	113.3
351	D	32.6	Very low	52.8	Low	151 Å²	151	81.6 Å²	81.6	81%	0.807	48%	0.483	S	S	*	.			trans	-41.8	154.2	-166.7	-55	-70.6	0	0	0	120.6
352	I	35.9	Very low	55.5	Low	152 Å²	152	80 Å²	80	78%	0.779	48%	0.477	S	S	*	.			trans	-115.6	120.7	176.8	-55.8	175.9	0	0	0	111.3
353	P	52.6	Low	58.4	Low	124 Å²	124	77.4 Å²	77.4	81%	0.805	46%	0.464	S	S	*	.			trans	-73.5	152.7	173.5	-17.4	31.9	0	0	0	114.2
354	G	70.1	Confident	61.4	Low	46 Å²	46	77.1 Å²	77.1	47%	0.474	46%	0.457	S	S	.	.			trans	125.9	-15.5	160.5	0	0	0	0	0	117.8	C356 P357	G354-C356 PolarHBondContact O-N 3.03Å; G354-P357 WeakPolarHBondContact O-CD 3.44Å
355	V	80.6	Confident	63.6	Low	60 Å²	60	75.8 Å²	75.8	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-37.5	-165.4	-170.7	0	0	0	0	114.8	L358 C359 F401 L428	V355-L358 PolarHBondContact O-N 3.41Å; V355-C359 PolarHBondContact O-N 2.92Å; V355-C359 VanDerWaalsContact O-N 3.16Å; V355-F401 HydrophobicContact CG1-CD2 4.31Å; V355-F401 HydrophobicContact CG1-CE2 4.09Å; V355-L428 HydrophobicContact CG1-CD1 4.04Å; V355-L428 HydrophobicContact CG1-CD2 3.76Å; V355-L428 HydrophobicContact CG1-CG 4.36Å
356	C	84.8	Confident	66.5	Low	45 Å²	45	73 Å²	73	30%	0.304	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-50.8	-178.5	169	0	0	0	0	113.5	G354 L358 C359 V360 L428 C429	G354-C356 PolarHBondContact O-N 3.03Å; C356-L358 VanDerWaalsContact C-N 3.32Å; C356-L358 PolarHBondContact O-N 3.34Å; C356-C359 WeakPolarHBondContact O-CB 3.49Å; C356-C359 PolarHBondContact O-N 2.85Å; C356-V360 PolarHBondContact O-N 3.26Å; C356-L428 WeakPolarHBondContact CB-O 3.36Å; C356-C429 VanDerWaalsContact CA-SG 3.54Å; C356-C429 HydrophobicContact CB-CB 4.04Å; C356-C429 WeakPolarHBondContact CB-SG 3.34Å; C356-C429 WeakPolarHBondContact SG-CB 3.21Å; C356-C429 CovalentContact SG-SG 2.04Å; C356-C429 PolarHBondContact SG-SG 3.06Å
357	P	85	Confident	69.2	Low	92 Å²	92	71.8 Å²	71.8	60%	0.597	42%	0.416	S	S	*	.	H	α-helix	trans	-51.9	-44.6	173.5	-30.9	34.7	0	0	0	114.6	G354 C359 V360 L361	G354-P357 WeakPolarHBondContact O-CD 3.44Å; P357-C359 PolarHBondContact O-N 2.94Å; P357-V360 PolarHBondContact O-N 3.15Å; P357-L361 PolarHBondContact O-N 3.07Å
358	L	86.7	Confident	71.9	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.068	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-41.1	-179.9	-178.7	60.5	0	0	0	111.7	V355 C356 V360 L361 L362 L390 Y394 Q397 F401	V355-L358 PolarHBondContact O-N 3.41Å; C356-L358 VanDerWaalsContact C-N 3.32Å; C356-L358 PolarHBondContact O-N 3.34Å; L358-V360 PolarHBondContact O-N 3.37Å; L358-L361 WeakPolarHBondContact O-CB 3.39Å; L358-L361 PolarHBondContact O-N 2.86Å; L358-L362 HydrophobicContact CD1-CD1 3.89Å; L358-L362 HydrophobicContact CD1-CG 4.13Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 WeakPolarHBondContact O-CB 3.34Å; L358-L362 WeakPolarHBondContact O-CG 3.2Å; L358-L362 PolarHBondContact O-N 2.77Å; L358-L390 HydrophobicContact CD1-CD1 4.3Å; L358-Y394 HydrophobicContact CD1-CD1 4.18Å; L358-Q397 HydrophobicContact CD2-CB 3.72Å; L358-F401 HydrophobicContact CD2-CB 4.1Å; L358-F401 HydrophobicContact CD2-CD2 4.1Å; L358-F401 HydrophobicContact CD2-CG 4.33Å; L358-F401 HydrophobicContact CG-CD2 4.24Å; L358-F401 HydrophobicContact CG-CG 4.48Å
359	C	90.1	Very high	74.6	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-56.5	-49.6	173.5	-177.8	0	0	0	0	112.2	V355 C356 P357 L361 L362 V363 F401 C423 L428	V355-C359 PolarHBondContact O-N 2.92Å; V355-C359 VanDerWaalsContact O-N 3.16Å; C356-C359 WeakPolarHBondContact O-CB 3.49Å; C356-C359 PolarHBondContact O-N 2.85Å; P357-C359 PolarHBondContact O-N 2.94Å; C359-L361 VanDerWaalsContact C-N 3.27Å; C359-L361 PolarHBondContact O-N 2.98Å; C359-L362 PolarHBondContact O-N 2.92Å; C359-V363 WeakPolarHBondContact O-CG2 3.16Å; C359-V363 PolarHBondContact O-N 3.13Å; C359-F401 VanDerWaalsContact CA-CZ 3.42Å; C359-F401 HydrophobicContact CB-CE1 4.43Å; C359-F401 HydrophobicContact CB-CE2 3.66Å; C359-F401 HydrophobicContact CB-CZ 3.37Å; C359-C423 HydrophobicContact CB-CB 3.86Å; C359-C423 WeakPolarHBondContact CB-SG 3.48Å; C359-C423 PolarHBondContact O-SG 2.95Å; C359-C423 WeakPolarHBondContact SG-CA 3.39Å; C359-C423 WeakPolarHBondContact SG-CB 3.41Å; C359-C423 CovalentContact SG-SG 2.03Å; C359-C423 PolarHBondContact SG-SG 3.16Å; C359-L428 HydrophobicContact CB-CD1 4.39Å
360	V	89.6	Confident	77.3	Confident	42 Å²	42	64.9 Å²	64.9	26%	0.255	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-31.3	-176.3	176.3	0	0	0	0	111.5	C356 P357 L358 K364 C423	C356-V360 PolarHBondContact O-N 3.26Å; P357-V360 PolarHBondContact O-N 3.15Å; L358-V360 PolarHBondContact O-N 3.37Å; V360-K364 HydrophobicContact CG1-CD 4.34Å; V360-K364 WeakPolarHBondContact O-CB 3.46Å; V360-K364 WeakPolarHBondContact O-CD 3.44Å; V360-K364 VanDerWaalsContact O-CG 3.24Å; V360-K364 WeakPolarHBondContact O-CG 3.19Å; V360-K364 PolarHBondContact O-N 3.22Å; V360-C423 HydrophobicContact CG2-CB 4.11Å; V360-C423 PolarHBondContact N-SG 2.92Å; V360-C423 VanDerWaalsContact N-SG 3.42Å
361	L	87.7	Confident	79.5	Confident	73 Å²	73	63 Å²	63	38%	0.382	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-51.2	173	-169.4	73.1	0	0	0	111.2	P357 L358 C359 K365 L390	P357-L361 PolarHBondContact O-N 3.07Å; L358-L361 WeakPolarHBondContact O-CB 3.39Å; L358-L361 PolarHBondContact O-N 2.86Å; C359-L361 VanDerWaalsContact C-N 3.27Å; C359-L361 PolarHBondContact O-N 2.98Å; L361-K365 PolarHBondContact O-N 2.71Å; L361-K365 VanDerWaalsContact O-N 3.14Å; L361-L390 HydrophobicContact CD2-CD1 3.9Å; L361-L390 HydrophobicContact CD2-CD2 3.78Å; L361-L390 HydrophobicContact CD2-CG 4.45Å; L361-L390 HydrophobicContact CG-CD2 3.91Å
362	L	88.9	Confident	81.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-48	-176.4	-73	169.9	0	0	0	113.1	L358 C359 K364 K365 I366 V386 L390 C398 F401	L358-L362 HydrophobicContact CD1-CD1 3.89Å; L358-L362 HydrophobicContact CD1-CG 4.13Å; L358-L362 HydrophobicContact CG-CD1 3.82Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 WeakPolarHBondContact O-CB 3.34Å; L358-L362 WeakPolarHBondContact O-CG 3.2Å; L358-L362 PolarHBondContact O-N 2.77Å; C359-L362 PolarHBondContact O-N 2.92Å; L362-K364 VanDerWaalsContact C-N 3.31Å; L362-K364 PolarHBondContact O-N 3.3Å; L362-K365 PolarHBondContact O-N 3.38Å; L362-I366 WeakPolarHBondContact O-CD1 3.21Å; L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 3.47Å; L362-V386 HydrophobicContact CD2-CB 4.39Å; L362-V386 HydrophobicContact CD2-CG1 3.73Å; L362-V386 HydrophobicContact CD2-CG2 3.74Å; L362-L390 HydrophobicContact CD2-CD1 3.6Å; L362-L390 HydrophobicContact CD2-CG 4.34Å; L362-L390 HydrophobicContact CG-CD1 4.28Å; L362-C398 HydrophobicContact CD2-CB 4.45Å; L362-C398 WeakPolarHBondContact CD2-SG 3.47Å; L362-F401 HydrophobicContact CD1-CB 3.97Å; L362-F401 HydrophobicContact CD1-CD1 3.24Å; L362-F401 HydrophobicContact CD1-CD2 4.41Å; L362-F401 HydrophobicContact CD1-CE1 3.8Å; L362-F401 HydrophobicContact CD1-CG 3.62Å
363	V	90.2	Very high	83.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.6	-45.6	179.3	172.5	0	0	0	0	110.4	C359 K365 I366 F367 I409 P419 I422	C359-V363 WeakPolarHBondContact O-CG2 3.16Å; C359-V363 PolarHBondContact O-N 3.13Å; V363-K365 VanDerWaalsContact C-N 3.3Å; V363-K365 PolarHBondContact O-N 3.26Å; V363-I366 PolarHBondContact O-N 3.32Å; V363-F367 HydrophobicContact CG1-CD2 3.87Å; V363-F367 HydrophobicContact CG1-CE2 3.89Å; V363-F367 WeakPolarHBondContact O-CD2 3.42Å; V363-F367 PolarHBondContact O-N 2.82Å; V363-I409 HydrophobicContact CG2-CD1 4.49Å; V363-I409 HydrophobicContact CG2-CG2 4.38Å; V363-P419 HydrophobicContact CG1-CB 4.13Å; V363-P419 VanDerWaalsContact CG1-O 3.31Å; V363-P419 WeakPolarHBondContact CG1-O 3.41Å; V363-I422 HydrophobicContact CG1-CB 4.26Å; V363-I422 HydrophobicContact CG1-CD1 3.92Å; V363-I422 HydrophobicContact CG1-CG1 4.44Å; V363-I422 HydrophobicContact CG2-CB 4.33Å; V363-I422 HydrophobicContact CG2-CG2 4.03Å
364	K	88.8	Confident	84.9	Confident	116 Å²	116	55.8 Å²	55.8	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-42.9	174.6	-75.5	176.1	-178.9	178.4	0	112.2	V360 L362 F367 E368	V360-K364 HydrophobicContact CG1-CD 4.34Å; V360-K364 WeakPolarHBondContact O-CB 3.46Å; V360-K364 WeakPolarHBondContact O-CD 3.44Å; V360-K364 VanDerWaalsContact O-CG 3.24Å; V360-K364 WeakPolarHBondContact O-CG 3.19Å; V360-K364 PolarHBondContact O-N 3.22Å; L362-K364 VanDerWaalsContact C-N 3.31Å; L362-K364 PolarHBondContact O-N 3.3Å; K364-F367 PolarHBondContact O-N 2.82Å; K364-E368 PolarHBondContact O-N 3.41Å
365	K	89.8	Confident	85.7	Confident	52 Å²	52	57.1 Å²	57.1	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-69.9	-34.7	-178	-163.6	55.9	170.6	179.8	0	113	L361 L362 V363 E368 L369 V386 H389	L361-K365 PolarHBondContact O-N 2.71Å; L361-K365 VanDerWaalsContact O-N 3.14Å; L362-K365 PolarHBondContact O-N 3.38Å; V363-K365 VanDerWaalsContact C-N 3.3Å; V363-K365 PolarHBondContact O-N 3.26Å; K365-E368 HydrophobicContact CD-CB 4.34Å; K365-E368 VanDerWaalsContact CD-OE2 3.24Å; K365-E368 WeakPolarHBondContact CD-OE2 3.49Å; K365-E368 IonicContact NZ-OE2 2.66Å; K365-E368 PolarHBondContact NZ-OE2 3.17Å; K365-E368 WeakPolarHBondContact O-CB 3.35Å; K365-E368 PolarHBondContact O-N 2.94Å; K365-L369 WeakPolarHBondContact O-CG 3.29Å; K365-L369 PolarHBondContact O-N 2.74Å; K365-V386 HydrophobicContact CB-CG2 3.71Å; K365-V386 HydrophobicContact CG-CG2 3.83Å; K365-H389 HydrophobicContact CD-CB 4.45Å; K365-H389 HydrophobicContact CG-CB 4.14Å
366	I	90.1	Very high	85.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-41.3	171.2	-63.3	155.5	0	0	0	110.7	L362 V363 E368 L369 T370 I379 A382 L383 V386 I409 I413	L362-I366 WeakPolarHBondContact O-CD1 3.21Å; L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 3.47Å; V363-I366 PolarHBondContact O-N 3.32Å; I366-E368 VanDerWaalsContact C-N 3.33Å; I366-E368 PolarHBondContact O-N 3.25Å; I366-L369 PolarHBondContact O-N 3.4Å; I366-T370 HydrophobicContact CG2-CG2 4.49Å; I366-T370 WeakPolarHBondContact O-CB 3.26Å; I366-T370 WeakPolarHBondContact O-CG2 3.41Å; I366-T370 PolarHBondContact O-N 3.45Å; I366-T370 PolarHBondContact O-OG1 3.46Å; I366-I379 HydrophobicContact CG2-CG2 4.16Å; I366-A382 HydrophobicContact CG2-CB 4.12Å; I366-L383 HydrophobicContact CD1-CD2 3.4Å; I366-L383 VanDerWaalsContact CD1-CD2 3.4Å; I366-L383 HydrophobicContact CD1-CG 3.77Å; I366-L383 HydrophobicContact CG1-CD2 4.26Å; I366-L383 HydrophobicContact CG1-CG 4.23Å; I366-V386 HydrophobicContact CG1-CB 4.29Å; I366-V386 HydrophobicContact CG1-CG2 4.04Å; I366-I409 HydrophobicContact CD1-CG2 3.99Å; I366-I413 HydrophobicContact CG2-CD1 3.69Å
367	F	86.6	Confident	85.8	Confident	39 Å²	39	61.9 Å²	61.9	17%	0.171	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-31.5	174.4	-88.5	-82.9	0	0	0	113.1	V363 K364 I371 I413 P419 I422	V363-F367 HydrophobicContact CG1-CD2 3.87Å; V363-F367 HydrophobicContact CG1-CE2 3.89Å; V363-F367 WeakPolarHBondContact O-CD2 3.42Å; V363-F367 PolarHBondContact O-N 2.82Å; K364-F367 PolarHBondContact O-N 2.82Å; F367-I371 VanDerWaalsContact O-CG1 3.29Å; F367-I371 WeakPolarHBondContact O-CG1 3.39Å; F367-I371 PolarHBondContact O-N 3.17Å; F367-I413 HydrophobicContact CD2-CD1 4.44Å; F367-I413 HydrophobicContact CE1-CG2 4.39Å; F367-I413 HydrophobicContact CE2-CD1 4.03Å; F367-I413 HydrophobicContact CE2-CG1 3.75Å; F367-I413 HydrophobicContact CZ-CB 4.48Å; F367-I413 HydrophobicContact CZ-CD1 4.49Å; F367-I413 HydrophobicContact CZ-CG1 3.9Å; F367-I413 HydrophobicContact CZ-CG2 4.1Å; F367-P419 HydrophobicContact CD1-CG 4.02Å; F367-P419 HydrophobicContact CD2-CB 3.67Å; F367-P419 HydrophobicContact CD2-CG 3.62Å; F367-P419 HydrophobicContact CE1-CG 4.02Å; F367-P419 HydrophobicContact CE2-CB 3.76Å; F367-P419 HydrophobicContact CE2-CG 3.62Å; F367-P419 HydrophobicContact CG-CB 4.28Å; F367-P419 HydrophobicContact CG-CG 3.83Å; F367-P419 HydrophobicContact CZ-CB 4.43Å; F367-P419 HydrophobicContact CZ-CG 3.83Å; F367-I422 HydrophobicContact CE2-CD1 3.94Å; F367-I422 HydrophobicContact CZ-CD1 4.47Å
368	E	88.6	Confident	85.9	Confident	107 Å²	107	58.4 Å²	58.4	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-41.9	171	-72.8	177.6	-164.2	0	0	112.6	K364 K365 I366 T370 I371	K364-E368 PolarHBondContact O-N 3.41Å; K365-E368 HydrophobicContact CD-CB 4.34Å; K365-E368 VanDerWaalsContact CD-OE2 3.24Å; K365-E368 WeakPolarHBondContact CD-OE2 3.49Å; K365-E368 IonicContact NZ-OE2 2.66Å; K365-E368 PolarHBondContact NZ-OE2 3.17Å; K365-E368 WeakPolarHBondContact O-CB 3.35Å; K365-E368 PolarHBondContact O-N 2.94Å; I366-E368 VanDerWaalsContact C-N 3.33Å; I366-E368 PolarHBondContact O-N 3.25Å; E368-T370 VanDerWaalsContact C-N 3.29Å; E368-T370 PolarHBondContact O-N 2.96Å; E368-I371 WeakPolarHBondContact O-CG1 3.44Å
369	L	87.1	Confident	86	Confident	65 Å²	65	57.8 Å²	57.8	34%	0.34	32%	0.323	S	S	.	.	H	α-helix	trans	-72	-21	179.4	-68.9	172.2	0	0	0	113.2	K365 I366 A382	K365-L369 WeakPolarHBondContact O-CG 3.29Å; K365-L369 PolarHBondContact O-N 2.74Å; I366-L369 PolarHBondContact O-N 3.4Å; L369-A382 HydrophobicContact CB-CB 3.77Å; L369-A382 HydrophobicContact CD1-CB 4.25Å
370	T	86.3	Confident	86	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13.5	-178.5	55.6	0	0	0	0	114.4	I366 E368 G372 N373 I379 A382	I366-T370 HydrophobicContact CG2-CG2 4.49Å; I366-T370 WeakPolarHBondContact O-CB 3.26Å; I366-T370 WeakPolarHBondContact O-CG2 3.41Å; I366-T370 PolarHBondContact O-N 3.45Å; I366-T370 PolarHBondContact O-OG1 3.46Å; E368-T370 VanDerWaalsContact C-N 3.29Å; E368-T370 PolarHBondContact O-N 2.96Å; T370-G372 PolarHBondContact O-N 2.94Å; T370-N373 CarbonylContact O-C 3.57Å; T370-N373 PolarHBondContact O-N 3.29Å; T370-I379 HydrophobicContact CG2-CG1 4.11Å; T370-A382 HydrophobicContact CG2-CB 3.73Å
371	I	78.4	Confident	85.9	Confident	141 Å²	141	63.2 Å²	63.2	72%	0.723	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	113.5	178	-65.6	174.8	0	0	0	110.3	F367 E368	F367-I371 VanDerWaalsContact O-CG1 3.29Å; F367-I371 WeakPolarHBondContact O-CG1 3.39Å; F367-I371 PolarHBondContact O-N 3.17Å; E368-I371 WeakPolarHBondContact O-CG1 3.44Å
372	G	74	Confident	86	Confident	86 Å²	86	60 Å²	60	89%	0.887	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-5	179.2	0	0	0	0	0	115.9	T370	T370-G372 PolarHBondContact O-N 2.94Å
373	N	82	Confident	86	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	34%	0.339	S	S	.	.			trans	-147.6	91.7	175.4	-176.9	8.9	0	0	0	111.8	T370 T375 A378	T370-N373 CarbonylContact O-C 3.57Å; T370-N373 PolarHBondContact O-N 3.29Å; N373-T375 WeakPolarHBondContact OD1-CB 3.49Å; N373-T375 WeakPolarHBondContact OD1-CG2 3.48Å; N373-T375 PolarHBondContact OD1-N 3.2Å; N373-T375 PolarHBondContact OD1-OG1 3.36Å; N373-A378 HydrophobicContact CB-CB 4.46Å; N373-A378 VanDerWaalsContact O-CB 3.3Å; N373-A378 WeakPolarHBondContact O-CB 3.42Å
374	Q	78.8	Confident	85.9	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	37%	0.369	S	S	.	.			trans	-100.3	44.7	175.9	-68.4	174.1	-16.6	0	0	111.6	I379	Q374-I379 HydrophobicContact CB-CD1 4.43Å
375	T	86.3	Confident	86	Confident	75 Å²	75	63.4 Å²	63.4	46%	0.46	36%	0.357	S	S	.	.			trans	-77.7	149.7	166.3	49.8	0	0	0	0	110.2	N373 A377 A378 I379	N373-T375 WeakPolarHBondContact OD1-CB 3.49Å; N373-T375 WeakPolarHBondContact OD1-CG2 3.48Å; N373-T375 PolarHBondContact OD1-N 3.2Å; N373-T375 PolarHBondContact OD1-OG1 3.36Å; T375-A377 VanDerWaalsContact C-N 3.26Å; T375-A377 PolarHBondContact O-N 2.78Å; T375-A378 WeakPolarHBondContact O-CA 3.42Å; T375-A378 WeakPolarHBondContact O-CB 3.42Å; T375-A378 PolarHBondContact O-N 3.08Å; T375-A378 WeakPolarHBondContact OG1-CB 3.41Å; T375-I379 WeakPolarHBondContact O-CG1 3.49Å; T375-I379 PolarHBondContact O-N 3.03Å
376	E	85.1	Confident	86.1	Confident	130 Å²	130	60.9 Å²	60.9	61%	0.607	35%	0.346	S	S	*	.	H	α-helix	trans	-48	-48	177.9	-177.4	177.7	-169.3	0	0	112.1	A378 I379 V380 V410 I414	E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 3.03Å; E376-I379 PolarHBondContact O-N 3.36Å; E376-V380 WeakPolarHBondContact O-CB 3.27Å; E376-V380 WeakPolarHBondContact O-CG2 3.36Å; E376-V380 PolarHBondContact O-N 3.26Å; E376-V410 HydrophobicContact CG-CG1 4.09Å; E376-I414 HydrophobicContact CB-CD1 3.81Å; E376-I414 HydrophobicContact CG-CD1 3.95Å
377	A	82.5	Confident	86.1	Confident	75 Å²	75	61.7 Å²	61.7	62%	0.62	35%	0.352	S	S	*	.	H	α-helix	trans	-61.6	-34.5	177.3	0	0	0	0	0	113.9	T375 L381	T375-A377 VanDerWaalsContact C-N 3.26Å; T375-A377 PolarHBondContact O-N 2.78Å; A377-L381 VanDerWaalsContact O-CB 3.31Å; A377-L381 WeakPolarHBondContact O-CB 3.35Å; A377-L381 PolarHBondContact O-N 2.88Å
378	A	87.3	Confident	86.3	Confident	18 Å²	18	67.5 Å²	67.5	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-75	-34.9	176	0	0	0	0	0	112.2	N373 T375 E376 A382	N373-A378 HydrophobicContact CB-CB 4.46Å; N373-A378 VanDerWaalsContact O-CB 3.3Å; N373-A378 WeakPolarHBondContact O-CB 3.42Å; T375-A378 WeakPolarHBondContact O-CA 3.42Å; T375-A378 WeakPolarHBondContact O-CB 3.42Å; T375-A378 PolarHBondContact O-N 3.08Å; T375-A378 WeakPolarHBondContact OG1-CB 3.41Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 3.03Å; A378-A382 VanDerWaalsContact O-CB 3.28Å; A378-A382 WeakPolarHBondContact O-CB 3.45Å; A378-A382 PolarHBondContact O-N 3.25Å
379	I	89.1	Confident	86.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-70.8	-39.2	176	-58.6	158.5	0	0	0	110.5	I366 T370 Q374 T375 E376 A382 L383 V410 I413 I414	I366-I379 HydrophobicContact CG2-CG2 4.16Å; T370-I379 HydrophobicContact CG2-CG1 4.11Å; Q374-I379 HydrophobicContact CB-CD1 4.43Å; T375-I379 WeakPolarHBondContact O-CG1 3.49Å; T375-I379 PolarHBondContact O-N 3.03Å; E376-I379 PolarHBondContact O-N 3.36Å; I379-A382 PolarHBondContact O-N 2.94Å; I379-L383 HydrophobicContact CG2-CD1 4.32Å; I379-L383 PolarHBondContact O-N 3.23Å; I379-V410 HydrophobicContact CG2-CG2 4.13Å; I379-I413 HydrophobicContact CD1-CB 4.15Å; I379-I413 HydrophobicContact CD1-CG2 3.56Å; I379-I413 HydrophobicContact CG1-CG2 4.06Å; I379-I413 HydrophobicContact CG2-CB 4.47Å; I379-I413 HydrophobicContact CG2-CD1 3.89Å; I379-I414 HydrophobicContact CD1-CG1 3.84Å
380	V	88.5	Confident	86	Confident	54 Å²	54	64.8 Å²	64.8	33%	0.327	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-49.7	172.9	170.3	0	0	0	0	110.8	E376 A382 L383 E384 V410	E376-V380 WeakPolarHBondContact O-CB 3.27Å; E376-V380 WeakPolarHBondContact O-CG2 3.36Å; E376-V380 PolarHBondContact O-N 3.26Å; V380-A382 VanDerWaalsContact C-N 3.26Å; V380-A382 PolarHBondContact O-N 2.76Å; V380-L383 CarbonylContact O-C 3.32Å; V380-L383 WeakPolarHBondContact O-CA 3.07Å; V380-L383 WeakPolarHBondContact O-CB 3.47Å; V380-L383 PolarHBondContact O-N 2.61Å; V380-E384 HydrophobicContact CG1-CG 4.47Å; V380-E384 WeakPolarHBondContact O-CG 3.13Å; V380-E384 PolarHBondContact O-N 3.1Å; V380-V410 HydrophobicContact CG2-CG2 4.04Å
381	L	88	Confident	85.8	Confident	103 Å²	103	68.1 Å²	68.1	54%	0.539	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-35.2	176.9	-176	66.2	0	0	0	112.6	A377 T385	A377-L381 VanDerWaalsContact O-CB 3.31Å; A377-L381 WeakPolarHBondContact O-CB 3.35Å; A377-L381 PolarHBondContact O-N 2.88Å; L381-T385 PolarHBondContact O-N 3.47Å; L381-T385 PolarHBondContact O-OG1 3.37Å
382	A	90.3	Very high	85.9	Confident	5 Å²	5	65.4 Å²	65.4	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-67.8	-37.9	172.7	0	0	0	0	0	112.3	I366 L369 T370 A378 I379 V380 T385 V386	I366-A382 HydrophobicContact CG2-CB 4.12Å; L369-A382 HydrophobicContact CB-CB 3.77Å; L369-A382 HydrophobicContact CD1-CB 4.25Å; T370-A382 HydrophobicContact CG2-CB 3.73Å; A378-A382 VanDerWaalsContact O-CB 3.28Å; A378-A382 WeakPolarHBondContact O-CB 3.45Å; A378-A382 PolarHBondContact O-N 3.25Å; I379-A382 PolarHBondContact O-N 2.94Å; V380-A382 VanDerWaalsContact C-N 3.26Å; V380-A382 PolarHBondContact O-N 2.76Å; A382-T385 PolarHBondContact O-N 3.34Å; A382-V386 VanDerWaalsContact O-CB 3.3Å; A382-V386 WeakPolarHBondContact O-CB 3.32Å; A382-V386 PolarHBondContact O-N 3.24Å
383	L	89.3	Confident	86.2	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.052	37%	0.372	C	S	.	.	H	α-helix	trans	-67.9	-36.5	173.4	-87.5	158.7	0	0	0	112.8	I366 I379 V380 T385 V386 V402 V410	I366-L383 HydrophobicContact CD1-CD2 3.4Å; I366-L383 VanDerWaalsContact CD1-CD2 3.4Å; I366-L383 HydrophobicContact CD1-CG 3.77Å; I366-L383 HydrophobicContact CG1-CD2 4.26Å; I366-L383 HydrophobicContact CG1-CG 4.23Å; I379-L383 HydrophobicContact CG2-CD1 4.32Å; I379-L383 PolarHBondContact O-N 3.23Å; V380-L383 CarbonylContact O-C 3.32Å; V380-L383 WeakPolarHBondContact O-CA 3.07Å; V380-L383 WeakPolarHBondContact O-CB 3.47Å; V380-L383 PolarHBondContact O-N 2.61Å; L383-T385 VanDerWaalsContact C-N 3.26Å; L383-T385 PolarHBondContact O-N 2.97Å; L383-V386 WeakPolarHBondContact O-CG1 3.34Å; L383-V402 HydrophobicContact CB-CG1 4.39Å; L383-V402 HydrophobicContact CD2-CG1 4.1Å; L383-V402 HydrophobicContact CD2-CG2 4.09Å; L383-V410 HydrophobicContact CD1-CG2 3.42Å; L383-V410 VanDerWaalsContact CD1-CG2 3.42Å
384	E	86.5	Confident	86.3	Confident	135 Å²	135	68.1 Å²	68.1	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-64.9	-29.5	174.7	-71.4	172.2	165.2	0	0	112.3	V380	V380-E384 HydrophobicContact CG1-CG 4.47Å; V380-E384 WeakPolarHBondContact O-CG 3.13Å; V380-E384 PolarHBondContact O-N 3.1Å
385	T	91.7	Very high	86.3	Confident	43 Å²	43	65.9 Å²	65.9	26%	0.264	36%	0.36	S	S	.	.	H	α-helix	trans	-108.6	-3.3	-175.3	53.8	0	0	0	0	114.6	L381 A382 L383 C387 E388 H389	L381-T385 PolarHBondContact O-N 3.47Å; L381-T385 PolarHBondContact O-OG1 3.37Å; A382-T385 PolarHBondContact O-N 3.34Å; L383-T385 VanDerWaalsContact C-N 3.26Å; L383-T385 PolarHBondContact O-N 2.97Å; T385-C387 VanDerWaalsContact C-N 3.32Å; T385-C387 PolarHBondContact O-N 3.41Å; T385-E388 PolarHBondContact O-N 3.07Å; T385-H389 PolarHBondContact O-ND1 2.72Å
386	V	91.9	Very high	86	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-64.7	-33.7	-173.6	71.4	0	0	0	0	113.1	L362 K365 I366 A382 L383 H389 V402	L362-V386 HydrophobicContact CD2-CB 4.39Å; L362-V386 HydrophobicContact CD2-CG1 3.73Å; L362-V386 HydrophobicContact CD2-CG2 3.74Å; K365-V386 HydrophobicContact CB-CG2 3.71Å; K365-V386 HydrophobicContact CG-CG2 3.83Å; I366-V386 HydrophobicContact CG1-CB 4.29Å; I366-V386 HydrophobicContact CG1-CG2 4.04Å; A382-V386 VanDerWaalsContact O-CB 3.3Å; A382-V386 WeakPolarHBondContact O-CB 3.32Å; A382-V386 PolarHBondContact O-N 3.24Å; L383-V386 WeakPolarHBondContact O-CG1 3.34Å; V386-H389 WeakPolarHBondContact O-CB 3.46Å; V386-H389 PolarHBondContact O-N 3.4Å; V386-H389 VanDerWaalsContact O-N 3.14Å; V386-V402 HydrophobicContact CG1-CG2 3.76Å
387	C	90.9	Very high	85.9	Confident	17 Å²	17	64.5 Å²	64.5	12%	0.115	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-66.8	-40.5	-177.1	-56.8	0	0	0	0	112	T385 H389 L390 C398	T385-C387 VanDerWaalsContact C-N 3.32Å; T385-C387 PolarHBondContact O-N 3.41Å; C387-H389 PolarHBondContact O-N 2.92Å; C387-L390 PolarHBondContact O-N 3.23Å; C387-C398 WeakPolarHBondContact CA-SG 3.28Å; C387-C398 HydrophobicContact CB-CB 3.8Å; C387-C398 WeakPolarHBondContact CB-SG 3.46Å; C387-C398 VanDerWaalsContact SG-C 3.55Å; C387-C398 WeakPolarHBondContact SG-CB 3.44Å; C387-C398 CovalentContact SG-SG 2.04Å; C387-C398 PolarHBondContact SG-SG 2.76Å
388	E	89.6	Confident	86.3	Confident	161 Å²	161	61 Å²	61	75%	0.752	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-59	-15.6	174.1	-55.4	-174.1	149.6	0	0	113.7	T385	T385-E388 PolarHBondContact O-N 3.07Å
389	H	87.4	Confident	86.3	Confident	90 Å²	90	65.7 Å²	65.7	42%	0.417	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-102.3	7.2	179.9	-65.2	82.8	0	0	0	113.8	K365 T385 V386 C387	K365-H389 HydrophobicContact CD-CB 4.45Å; K365-H389 HydrophobicContact CG-CB 4.14Å; T385-H389 PolarHBondContact O-ND1 2.72Å; V386-H389 WeakPolarHBondContact O-CB 3.46Å; V386-H389 PolarHBondContact O-N 3.4Å; V386-H389 VanDerWaalsContact O-N 3.14Å; C387-H389 PolarHBondContact O-N 2.92Å
390	L	82.7	Confident	85.9	Confident	24 Å²	24	69.7 Å²	69.7	13%	0.126	37%	0.365	C	S	.	.	S	Bend	trans	-102.8	166.9	172.1	-64.7	-164.4	0	0	0	111.7	L358 L361 L362 C387 C398	L358-L390 HydrophobicContact CD1-CD1 4.3Å; L361-L390 HydrophobicContact CD2-CD1 3.9Å; L361-L390 HydrophobicContact CD2-CD2 3.78Å; L361-L390 HydrophobicContact CD2-CG 4.45Å; L361-L390 HydrophobicContact CG-CD2 3.91Å; L362-L390 HydrophobicContact CD2-CD1 3.6Å; L362-L390 HydrophobicContact CD2-CG 4.34Å; L362-L390 HydrophobicContact CG-CD1 4.28Å; C387-L390 PolarHBondContact O-N 3.23Å; L390-C398 HydrophobicContact CD1-CB 4.25Å
391	P	82.7	Confident	85.8	Confident	74 Å²	74	67.5 Å²	67.5	48%	0.481	35%	0.351	S	S	.	.			trans	-64.1	137.4	164.7	-17.6	31.3	0	0	0	110.6	D393 Y394	P391-D393 PolarHBondContact O-N 3.35Å; P391-Y394 HydrophobicContact CB-CD2 4.17Å; P391-Y394 HydrophobicContact CG-CD2 4.26Å; P391-Y394 HydrophobicContact CG-CE2 4.39Å; P391-Y394 PolarHBondContact O-N 3.36Å
392	S	80.6	Confident	85.8	Confident	84 Å²	84	64 Å²	64	59%	0.587	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-57.6	-21.4	-173.4	53.1	0	0	0	0	115.2	Y394 D395	S392-Y394 PolarHBondContact O-N 3.48Å; S392-D395 WeakPolarHBondContact CA-OD1 3.33Å; S392-D395 WeakPolarHBondContact CA-OD2 3.47Å; S392-D395 WeakPolarHBondContact CB-OD2 3.43Å; S392-D395 VanDerWaalsContact O-CG 3.3Å; S392-D395 PolarHBondContact O-N 2.91Å; S392-D395 VanDerWaalsContact O-N 3.16Å
393	D	79.6	Confident	85.6	Confident	132 Å²	132	69.2 Å²	69.2	71%	0.706	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.6	-13.2	173.2	-53	-37.2	0	0	0	113.2	P391 Q397	P391-D393 PolarHBondContact O-N 3.35Å; D393-Q397 PolarHBondContact O-NE2 2.84Å; D393-Q397 VanDerWaalsContact O-NE2 3.11Å
394	Y	82.7	Confident	85.4	Confident	91 Å²	91	75.7 Å²	75.7	36%	0.357	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-107.2	-5.1	179	-65.5	-75	0	0	0	115	L358 P391 S392 T396 Q397 C398	L358-Y394 HydrophobicContact CD1-CD1 4.18Å; P391-Y394 HydrophobicContact CB-CD2 4.17Å; P391-Y394 HydrophobicContact CG-CD2 4.26Å; P391-Y394 HydrophobicContact CG-CE2 4.39Å; P391-Y394 PolarHBondContact O-N 3.36Å; S392-Y394 PolarHBondContact O-N 3.48Å; Y394-T396 PolarHBondContact O-N 3.16Å; Y394-Q397 CarbonylContact O-C 3.4Å; Y394-Q397 WeakPolarHBondContact O-CA 3.35Å; Y394-Q397 WeakPolarHBondContact O-CB 3.47Å; Y394-Q397 PolarHBondContact O-N 3.02Å; Y394-C398 WeakPolarHBondContact O-CB 3.47Å; Y394-C398 PolarHBondContact O-N 3.41Å
395	D	79.1	Confident	85.5	Confident	62 Å²	62	71 Å²	71	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-52.3	-61.2	-167.1	-66.6	-20.5	0	0	0	112.9	S392 Q397 C398 E399	S392-D395 WeakPolarHBondContact CA-OD1 3.33Å; S392-D395 WeakPolarHBondContact CA-OD2 3.47Å; S392-D395 WeakPolarHBondContact CB-OD2 3.43Å; S392-D395 VanDerWaalsContact O-CG 3.3Å; S392-D395 PolarHBondContact O-N 2.91Å; S392-D395 VanDerWaalsContact O-N 3.16Å; D395-Q397 PolarHBondContact O-N 3.15Å; D395-C398 WeakPolarHBondContact O-CA 3.5Å; D395-C398 WeakPolarHBondContact O-CB 3.42Å; D395-C398 PolarHBondContact O-N 3.01Å; D395-E399 WeakPolarHBondContact O-CG 3.17Å; D395-E399 PolarHBondContact O-N 2.8Å
396	T	81	Confident	85.2	Confident	81 Å²	81	69.2 Å²	69.2	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-29.8	178.3	-42.6	0	0	0	0	112.9	Y394 N400	Y394-T396 PolarHBondContact O-N 3.16Å; T396-N400 WeakPolarHBondContact O-CB 3.31Å; T396-N400 PolarHBondContact O-N 2.72Å; T396-N400 PolarHBondContact O-ND2 3.36Å
397	Q	83.6	Confident	85	Confident	96 Å²	96	73.3 Å²	73.3	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-73.5	-38.6	176.3	-53.7	178.7	54.3	0	0	110.8	L358 D393 Y394 D395 F401	L358-Q397 HydrophobicContact CD2-CB 3.72Å; D393-Q397 PolarHBondContact O-NE2 2.84Å; D393-Q397 VanDerWaalsContact O-NE2 3.11Å; Y394-Q397 CarbonylContact O-C 3.4Å; Y394-Q397 WeakPolarHBondContact O-CA 3.35Å; Y394-Q397 WeakPolarHBondContact O-CB 3.47Å; Y394-Q397 PolarHBondContact O-N 3.02Å; D395-Q397 PolarHBondContact O-N 3.15Å; Q397-F401 WeakPolarHBondContact O-CB 3.46Å; Q397-F401 PolarHBondContact O-N 3.16Å
398	C	89	Confident	84.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-66	-49.7	177.8	178.1	0	0	0	0	111.3	L362 C387 L390 Y394 D395 N400 F401 V402	L362-C398 HydrophobicContact CD2-CB 4.45Å; L362-C398 WeakPolarHBondContact CD2-SG 3.47Å; C387-C398 WeakPolarHBondContact CA-SG 3.28Å; C387-C398 HydrophobicContact CB-CB 3.8Å; C387-C398 WeakPolarHBondContact CB-SG 3.46Å; C387-C398 VanDerWaalsContact SG-C 3.55Å; C387-C398 WeakPolarHBondContact SG-CB 3.44Å; C387-C398 CovalentContact SG-SG 2.04Å; C387-C398 PolarHBondContact SG-SG 2.76Å; L390-C398 HydrophobicContact CD1-CB 4.25Å; Y394-C398 WeakPolarHBondContact O-CB 3.47Å; Y394-C398 PolarHBondContact O-N 3.41Å; D395-C398 WeakPolarHBondContact O-CA 3.5Å; D395-C398 WeakPolarHBondContact O-CB 3.42Å; D395-C398 PolarHBondContact O-N 3.01Å; C398-N400 PolarHBondContact O-N 3.42Å; C398-F401 CarbonylContact O-C 3.43Å; C398-F401 WeakPolarHBondContact O-CA 3.04Å; C398-F401 WeakPolarHBondContact O-CB 2.97Å; C398-F401 PolarHBondContact O-N 3.37Å; C398-F401 VanDerWaalsContact O-N 3.07Å; C398-V402 WeakPolarHBondContact O-CB 3.39Å; C398-V402 WeakPolarHBondContact O-CG2 3.08Å; C398-V402 PolarHBondContact O-N 2.94Å
399	E	87.7	Confident	84.7	Confident	117 Å²	117	70.6 Å²	70.6	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-50.2	-179.7	-67.6	175.5	148	0	0	111.4	D395 F401 V402 E403	D395-E399 WeakPolarHBondContact O-CG 3.17Å; D395-E399 PolarHBondContact O-N 2.8Å; E399-F401 PolarHBondContact O-N 3.18Å; E399-V402 PolarHBondContact O-N 2.98Å; E399-E403 WeakPolarHBondContact O-CB 3.29Å; E399-E403 PolarHBondContact O-N 3.48Å
400	N	82.3	Confident	84.8	Confident	85 Å²	85	67.1 Å²	67.1	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-32.9	174.6	-84.4	-80.6	0	0	0	112.8	T396 C398 K404	T396-N400 WeakPolarHBondContact O-CB 3.31Å; T396-N400 PolarHBondContact O-N 2.72Å; T396-N400 PolarHBondContact O-ND2 3.36Å; C398-N400 PolarHBondContact O-N 3.42Å; N400-K404 WeakPolarHBondContact O-CB 3.28Å; N400-K404 PolarHBondContact O-N 2.81Å
401	F	85	Confident	84.9	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-73.5	-46.4	176.9	-174.4	-76.1	0	0	0	111.9	V355 L358 C359 L362 Q397 C398 E399 K404 Y405 I409 L428	V355-F401 HydrophobicContact CG1-CD2 4.31Å; V355-F401 HydrophobicContact CG1-CE2 4.09Å; L358-F401 HydrophobicContact CD2-CB 4.1Å; L358-F401 HydrophobicContact CD2-CD2 4.1Å; L358-F401 HydrophobicContact CD2-CG 4.33Å; L358-F401 HydrophobicContact CG-CD2 4.24Å; L358-F401 HydrophobicContact CG-CG 4.48Å; C359-F401 VanDerWaalsContact CA-CZ 3.42Å; C359-F401 HydrophobicContact CB-CE1 4.43Å; C359-F401 HydrophobicContact CB-CE2 3.66Å; C359-F401 HydrophobicContact CB-CZ 3.37Å; L362-F401 HydrophobicContact CD1-CB 3.97Å; L362-F401 HydrophobicContact CD1-CD1 3.24Å; L362-F401 HydrophobicContact CD1-CD2 4.41Å; L362-F401 HydrophobicContact CD1-CE1 3.8Å; L362-F401 HydrophobicContact CD1-CG 3.62Å; Q397-F401 WeakPolarHBondContact O-CB 3.46Å; Q397-F401 PolarHBondContact O-N 3.16Å; C398-F401 CarbonylContact O-C 3.43Å; C398-F401 WeakPolarHBondContact O-CA 3.04Å; C398-F401 WeakPolarHBondContact O-CB 2.97Å; C398-F401 PolarHBondContact O-N 3.37Å; C398-F401 VanDerWaalsContact O-N 3.07Å; E399-F401 PolarHBondContact O-N 3.18Å; F401-K404 PolarHBondContact O-N 2.98Å; F401-Y405 HydrophobicContact CD1-CD2 4.36Å; F401-Y405 AromaticContact CD2-CD2 3.96Å; F401-Y405 HydrophobicContact CD2-CD2 3.96Å; F401-Y405 HydrophobicContact CD2-CE2 4.38Å; F401-Y405 HydrophobicContact CE1-CD2 4.37Å; F401-Y405 AromaticContact CE2-CD2 3.97Å; F401-Y405 HydrophobicContact CE2-CD2 3.97Å; F401-Y405 HydrophobicContact CE2-CE2 4.43Å; F401-Y405 HydrophobicContact CG-CD2 4.14Å; F401-Y405 HydrophobicContact CZ-CD2 4.12Å; F401-Y405 HydrophobicContact CZ-CG 4.43Å; F401-Y405 WeakPolarHBondContact O-CB 3.5Å; F401-Y405 WeakPolarHBondContact O-CD2 3.3Å; F401-Y405 PolarHBondContact O-N 3.41Å; F401-I409 HydrophobicContact CD1-CD1 4.5Å; F401-I409 HydrophobicContact CE1-CD1 3.63Å; F401-I409 HydrophobicContact CZ-CD1 4.41Å; F401-L428 HydrophobicContact CE2-CD1 3.49Å; F401-L428 VanDerWaalsContact CE2-CD1 3.49Å; F401-L428 HydrophobicContact CZ-CD1 3.67Å
402	V	89.1	Confident	85.1	Confident	29 Å²	29	65.6 Å²	65.6	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-43.8	178.3	166.9	0	0	0	0	110.4	L383 V386 C398 E399 G406	L383-V402 HydrophobicContact CB-CG1 4.39Å; L383-V402 HydrophobicContact CD2-CG1 4.1Å; L383-V402 HydrophobicContact CD2-CG2 4.09Å; V386-V402 HydrophobicContact CG1-CG2 3.76Å; C398-V402 WeakPolarHBondContact O-CB 3.39Å; C398-V402 WeakPolarHBondContact O-CG2 3.08Å; C398-V402 PolarHBondContact O-N 2.94Å; E399-V402 PolarHBondContact O-N 2.98Å; V402-G406 WeakPolarHBondContact O-CA 3.35Å; V402-G406 PolarHBondContact O-N 2.94Å
403	E	84.6	Confident	85.4	Confident	115 Å²	115	61.9 Å²	61.9	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-45	175.9	-171.4	-177.6	-135.2	0	0	112.1	R145 E399	R145-E403 IonicContact CZ-OE1 2.62Å; R145-E403 VanDerWaalsContact CZ-OE1 3.31Å; R145-E403 IonicContact CZ-OE2 3.71Å; R145-E403 IonicContact NH1-OE1 2.7Å; R145-E403 PolarHBondContact NH1-OE1 3.41Å; R145-E403 IonicContact NH1-OE2 3.07Å; R145-E403 PolarHBondContact NH1-OE2 2.98Å; R145-E403 IonicContact NH2-OE1 2.95Å; R145-E403 PolarHBondContact NH2-OE1 2.9Å; R145-E403 IonicContact NH2-OE2 3.11Å; E399-E403 WeakPolarHBondContact O-CB 3.29Å; E399-E403 PolarHBondContact O-N 3.48Å
404	K	85.7	Confident	85.7	Confident	145 Å²	145	59.8 Å²	59.8	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-77.3	-28	-173.8	-170.5	175.4	177.5	-165.3	0	114.2	N400 F401	N400-K404 WeakPolarHBondContact O-CB 3.28Å; N400-K404 PolarHBondContact O-N 2.81Å; F401-K404 PolarHBondContact O-N 2.98Å
405	Y	88.4	Confident	85.7	Confident	36 Å²	36	60.9 Å²	60.9	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-124.8	-12.4	-173.4	-59.8	-73.9	0	0	0	114.8	F401 A407 K408 I409 I426 L428	F401-Y405 HydrophobicContact CD1-CD2 4.36Å; F401-Y405 AromaticContact CD2-CD2 3.96Å; F401-Y405 HydrophobicContact CD2-CD2 3.96Å; F401-Y405 HydrophobicContact CD2-CE2 4.38Å; F401-Y405 HydrophobicContact CE1-CD2 4.37Å; F401-Y405 AromaticContact CE2-CD2 3.97Å; F401-Y405 HydrophobicContact CE2-CD2 3.97Å; F401-Y405 HydrophobicContact CE2-CE2 4.43Å; F401-Y405 HydrophobicContact CG-CD2 4.14Å; F401-Y405 HydrophobicContact CZ-CD2 4.12Å; F401-Y405 HydrophobicContact CZ-CG 4.43Å; F401-Y405 WeakPolarHBondContact O-CB 3.5Å; F401-Y405 WeakPolarHBondContact O-CD2 3.3Å; F401-Y405 PolarHBondContact O-N 3.41Å; Y405-A407 PolarHBondContact O-N 3.07Å; Y405-K408 WeakPolarHBondContact O-CA 3.46Å; Y405-K408 WeakPolarHBondContact O-CB 3.39Å; Y405-K408 PolarHBondContact O-N 2.76Å; Y405-I409 WeakPolarHBondContact O-CG1 3.28Å; Y405-I409 PolarHBondContact O-N 2.96Å; Y405-I426 HydrophobicContact CD1-CD1 4.31Å; Y405-L428 HydrophobicContact CD1-CD1 3.9Å; Y405-L428 HydrophobicContact CD2-CD1 3.87Å; Y405-L428 HydrophobicContact CE1-CD1 3.85Å; Y405-L428 HydrophobicContact CE1-CD2 3.97Å; Y405-L428 HydrophobicContact CE1-CG 4.11Å; Y405-L428 HydrophobicContact CE2-CD1 3.82Å; Y405-L428 HydrophobicContact CE2-CD2 4.29Å; Y405-L428 HydrophobicContact CG-CD1 3.93Å
406	G	86.6	Confident	85.7	Confident	6 Å²	6	61 Å²	61	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-51.5	-49.6	-174.3	0	0	0	0	0	113.7	V402 K408 I409 V410	V402-G406 WeakPolarHBondContact O-CA 3.35Å; V402-G406 PolarHBondContact O-N 2.94Å; G406-K408 VanDerWaalsContact C-N 3.28Å; G406-K408 PolarHBondContact O-N 2.95Å; G406-I409 CarbonylContact O-C 3.26Å; G406-I409 WeakPolarHBondContact O-CA 3.44Å; G406-I409 WeakPolarHBondContact O-CB 3.42Å; G406-I409 PolarHBondContact O-N 2.04Å; G406-V410 WeakPolarHBondContact O-CG2 3.34Å; G406-V410 PolarHBondContact O-N 3Å
407	A	86.1	Confident	85.8	Confident	86 Å²	86	58.9 Å²	58.9	71%	0.711	33%	0.325	S	S	*	.	H	α-helix	trans	-59.7	-33.9	177.9	0	0	0	0	0	113.8	Y405 S411	Y405-A407 PolarHBondContact O-N 3.07Å; A407-S411 PolarHBondContact O-N 3.48Å
408	K	86.8	Confident	85.4	Confident	122 Å²	122	56.2 Å²	56.2	53%	0.53	32%	0.319	S	S	.	.	H	α-helix	trans	-73.1	-32.9	173.8	-67	-169.8	176.2	-172.5	0	112.1	Y405 G406 A412 I426	Y405-K408 WeakPolarHBondContact O-CA 3.46Å; Y405-K408 WeakPolarHBondContact O-CB 3.39Å; Y405-K408 PolarHBondContact O-N 2.76Å; G406-K408 VanDerWaalsContact C-N 3.28Å; G406-K408 PolarHBondContact O-N 2.95Å; K408-A412 VanDerWaalsContact O-CB 3.27Å; K408-A412 WeakPolarHBondContact O-CB 3.34Å; K408-A412 PolarHBondContact O-N 3.28Å; K408-I426 HydrophobicContact CB-CG2 3.89Å; K408-I426 HydrophobicContact CD-CB 4.38Å; K408-I426 HydrophobicContact CD-CG2 4.18Å
409	I	87.7	Confident	84.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.5	-41.2	177.5	-65.4	162.7	0	0	0	110.2	V363 I366 F401 Y405 G406 A412 I413 I422 I426	V363-I409 HydrophobicContact CG2-CD1 4.49Å; V363-I409 HydrophobicContact CG2-CG2 4.38Å; I366-I409 HydrophobicContact CD1-CG2 3.99Å; F401-I409 HydrophobicContact CD1-CD1 4.5Å; F401-I409 HydrophobicContact CE1-CD1 3.63Å; F401-I409 HydrophobicContact CZ-CD1 4.41Å; Y405-I409 WeakPolarHBondContact O-CG1 3.28Å; Y405-I409 PolarHBondContact O-N 2.96Å; G406-I409 CarbonylContact O-C 3.26Å; G406-I409 WeakPolarHBondContact O-CA 3.44Å; G406-I409 WeakPolarHBondContact O-CB 3.42Å; G406-I409 PolarHBondContact O-N 2.04Å; I409-A412 PolarHBondContact O-N 2.78Å; I409-I413 HydrophobicContact CG2-CD1 3.74Å; I409-I413 HydrophobicContact CG2-CG1 4.36Å; I409-I413 WeakPolarHBondContact O-CB 3.4Å; I409-I413 VanDerWaalsContact O-CG1 3.25Å; I409-I413 WeakPolarHBondContact O-CG1 3.45Å; I409-I413 PolarHBondContact O-N 2.79Å; I409-I422 HydrophobicContact CG1-CG2 4.19Å; I409-I426 HydrophobicContact CG1-CD1 4.3Å
410	V	89.9	Confident	83.6	Confident	16 Å²	16	58 Å²	58	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-53.5	170.7	174.8	0	0	0	0	110.3	E376 I379 V380 L383 G406 I413 I414	E376-V410 HydrophobicContact CG-CG1 4.09Å; I379-V410 HydrophobicContact CG2-CG2 4.13Å; V380-V410 HydrophobicContact CG2-CG2 4.04Å; L383-V410 HydrophobicContact CD1-CG2 3.42Å; L383-V410 VanDerWaalsContact CD1-CG2 3.42Å; G406-V410 WeakPolarHBondContact O-CG2 3.34Å; G406-V410 PolarHBondContact O-N 3Å; V410-I413 PolarHBondContact O-N 2.93Å; V410-I414 HydrophobicContact CG1-CD1 3.64Å; V410-I414 WeakPolarHBondContact O-CB 3.24Å; V410-I414 VanDerWaalsContact O-CG1 3.29Å; V410-I414 WeakPolarHBondContact O-CG1 3.3Å; V410-I414 PolarHBondContact O-N 3.21Å
411	S	85.7	Confident	83.6	Confident	59 Å²	59	58.2 Å²	58.2	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-55.6	-56.1	175.8	-165.4	0	0	0	0	110.8	A407 I413 I414 D415	A407-S411 PolarHBondContact O-N 3.48Å; S411-I413 VanDerWaalsContact C-N 3.26Å; S411-I413 PolarHBondContact O-N 3.43Å; S411-I413 VanDerWaalsContact O-N 3.15Å; S411-I414 CarbonylContact O-C 3.5Å; S411-I414 WeakPolarHBondContact O-CA 3.46Å; S411-I414 PolarHBondContact O-N 3.23Å; S411-D415 WeakPolarHBondContact O-CB 3.35Å; S411-D415 PolarHBondContact O-N 2.98Å; S411-D415 PolarHBondContact OG-OD2 3.17Å
412	A	86.3	Confident	83.8	Confident	8 Å²	8	57.9 Å²	57.9	7%	0.066	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-34.8	-174.8	0	0	0	0	0	113.5	K408 I409 G416 T417 I422	K408-A412 VanDerWaalsContact O-CB 3.27Å; K408-A412 WeakPolarHBondContact O-CB 3.34Å; K408-A412 PolarHBondContact O-N 3.28Å; I409-A412 PolarHBondContact O-N 2.78Å; A412-G416 PolarHBondContact O-N 3.04Å; A412-T417 WeakPolarHBondContact O-CA 3.28Å; A412-T417 WeakPolarHBondContact O-CB 3.19Å; A412-T417 PolarHBondContact O-N 2.96Å; A412-T417 PolarHBondContact O-OG1 3.18Å; A412-I422 HydrophobicContact CB-CD1 3.96Å; A412-I422 HydrophobicContact CB-CG1 3.96Å; A412-I422 HydrophobicContact CB-CG2 4Å
413	I	87	Confident	83.7	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-71.7	-43.4	174.5	-64.5	171.9	0	0	0	111	I366 F367 I379 I409 V410 S411 D415 G416 I422	I366-I413 HydrophobicContact CG2-CD1 3.69Å; F367-I413 HydrophobicContact CD2-CD1 4.44Å; F367-I413 HydrophobicContact CE1-CG2 4.39Å; F367-I413 HydrophobicContact CE2-CD1 4.03Å; F367-I413 HydrophobicContact CE2-CG1 3.75Å; F367-I413 HydrophobicContact CZ-CB 4.48Å; F367-I413 HydrophobicContact CZ-CD1 4.49Å; F367-I413 HydrophobicContact CZ-CG1 3.9Å; F367-I413 HydrophobicContact CZ-CG2 4.1Å; I379-I413 HydrophobicContact CD1-CB 4.15Å; I379-I413 HydrophobicContact CD1-CG2 3.56Å; I379-I413 HydrophobicContact CG1-CG2 4.06Å; I379-I413 HydrophobicContact CG2-CB 4.47Å; I379-I413 HydrophobicContact CG2-CD1 3.89Å; I409-I413 HydrophobicContact CG2-CD1 3.74Å; I409-I413 HydrophobicContact CG2-CG1 4.36Å; I409-I413 WeakPolarHBondContact O-CB 3.4Å; I409-I413 VanDerWaalsContact O-CG1 3.25Å; I409-I413 WeakPolarHBondContact O-CG1 3.45Å; I409-I413 PolarHBondContact O-N 2.79Å; V410-I413 PolarHBondContact O-N 2.93Å; S411-I413 VanDerWaalsContact C-N 3.26Å; S411-I413 PolarHBondContact O-N 3.43Å; S411-I413 VanDerWaalsContact O-N 3.15Å; I413-D415 VanDerWaalsContact C-N 3.31Å; I413-D415 PolarHBondContact O-N 3.25Å; I413-G416 PolarHBondContact O-N 3.31Å; I413-G416 VanDerWaalsContact O-N 3.07Å; I413-I422 HydrophobicContact CD1-CD1 4.48Å; I413-I422 HydrophobicContact CG1-CD1 3.57Å
414	I	86	Confident	83.8	Confident	88 Å²	88	52.2 Å²	52.2	45%	0.451	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-37.9	175.8	-68.6	170.6	0	0	0	111.4	E376 I379 V410 S411 G416	E376-I414 HydrophobicContact CB-CD1 3.81Å; E376-I414 HydrophobicContact CG-CD1 3.95Å; I379-I414 HydrophobicContact CD1-CG1 3.84Å; V410-I414 HydrophobicContact CG1-CD1 3.64Å; V410-I414 WeakPolarHBondContact O-CB 3.24Å; V410-I414 VanDerWaalsContact O-CG1 3.29Å; V410-I414 WeakPolarHBondContact O-CG1 3.3Å; V410-I414 PolarHBondContact O-N 3.21Å; S411-I414 CarbonylContact O-C 3.5Å; S411-I414 WeakPolarHBondContact O-CA 3.46Å; S411-I414 PolarHBondContact O-N 3.23Å; I414-G416 PolarHBondContact O-N 3.28Å
415	D	81.8	Confident	83.6	Confident	114 Å²	114	49.3 Å²	49.3	61%	0.61	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.8	175.1	-63.2	-44.3	0	0	0	112.8	S411 I413	S411-D415 WeakPolarHBondContact O-CB 3.35Å; S411-D415 PolarHBondContact O-N 2.98Å; S411-D415 PolarHBondContact OG-OD2 3.17Å; I413-D415 VanDerWaalsContact C-N 3.31Å; I413-D415 PolarHBondContact O-N 3.25Å
416	G	80.3	Confident	83.2	Confident	63 Å²	63	48.7 Å²	48.7	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	19.3	176.3	0	0	0	0	0	115	A412 I413 I414 A418	A412-G416 PolarHBondContact O-N 3.04Å; I413-G416 PolarHBondContact O-N 3.31Å; I413-G416 VanDerWaalsContact O-N 3.07Å; I414-G416 PolarHBondContact O-N 3.28Å; G416-A418 PolarHBondContact O-N 3.43Å
417	T	82.9	Confident	82.9	Confident	38 Å²	38	51.4 Å²	51.4	23%	0.233	34%	0.337	C	S	.	.			trans	-67	130.5	-179.7	-50.4	0	0	0	0	110.8	A412 L421 I422	A412-T417 WeakPolarHBondContact O-CA 3.28Å; A412-T417 WeakPolarHBondContact O-CB 3.19Å; A412-T417 PolarHBondContact O-N 2.96Å; A412-T417 PolarHBondContact O-OG1 3.18Å; T417-L421 HydrophobicContact CG2-CB 3.95Å; T417-I422 HydrophobicContact CG2-CG1 3.58Å
418	A	74.8	Confident	82.9	Confident	39 Å²	39	49 Å²	49	32%	0.322	31%	0.312	S	S	.	.			trans	-61.9	143.9	178.7	0	0	0	0	0	112	G416 D420 L421 I422	G416-A418 PolarHBondContact O-N 3.43Å; A418-D420 VanDerWaalsContact CB-OD1 3.27Å; A418-D420 WeakPolarHBondContact CB-OD1 3.46Å; A418-D420 PolarHBondContact O-N 3.34Å; A418-D420 VanDerWaalsContact O-N 3.07Å; A418-L421 HydrophobicContact CB-CD1 4.17Å; A418-L421 HydrophobicContact CB-CG 4.28Å; A418-L421 PolarHBondContact O-N 3.27Å; A418-I422 PolarHBondContact O-N 3.45Å
419	P	70.8	Confident	82.7	Confident	45 Å²	45	44.2 Å²	44.2	29%	0.292	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.9	-170.4	-22.2	29	0	0	0	115	V363 F367	V363-P419 HydrophobicContact CG1-CB 4.13Å; V363-P419 VanDerWaalsContact CG1-O 3.31Å; V363-P419 WeakPolarHBondContact CG1-O 3.41Å; F367-P419 HydrophobicContact CD1-CG 4.02Å; F367-P419 HydrophobicContact CD2-CB 3.67Å; F367-P419 HydrophobicContact CD2-CG 3.62Å; F367-P419 HydrophobicContact CE1-CG 4.02Å; F367-P419 HydrophobicContact CE2-CB 3.76Å; F367-P419 HydrophobicContact CE2-CG 3.62Å; F367-P419 HydrophobicContact CG-CB 4.28Å; F367-P419 HydrophobicContact CG-CG 3.83Å; F367-P419 HydrophobicContact CZ-CB 4.43Å; F367-P419 HydrophobicContact CZ-CG 3.83Å
420	D	67.7	Low	82.2	Confident	110 Å²	110	48.8 Å²	48.8	59%	0.588	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.3	178.5	59.5	-49.8	0	0	0	113.5	A418	A418-D420 VanDerWaalsContact CB-OD1 3.27Å; A418-D420 WeakPolarHBondContact CB-OD1 3.46Å; A418-D420 PolarHBondContact O-N 3.34Å; A418-D420 VanDerWaalsContact O-N 3.07Å
421	L	81.8	Confident	80.6	Confident	90 Å²	90	51.7 Å²	51.7	47%	0.471	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-26.7	-176.8	-61.5	-179.4	0	0	0	113.6	T417 A418 C423 G424 S425	T417-L421 HydrophobicContact CG2-CB 3.95Å; A418-L421 HydrophobicContact CB-CD1 4.17Å; A418-L421 HydrophobicContact CB-CG 4.28Å; A418-L421 PolarHBondContact O-N 3.27Å; L421-C423 VanDerWaalsContact C-N 3.29Å; L421-C423 PolarHBondContact O-N 3.22Å; L421-G424 WeakPolarHBondContact O-CA 3.07Å; L421-G424 PolarHBondContact O-N 2.03Å; L421-S425 PolarHBondContact O-N 3.48Å
422	I	89.2	Confident	78.9	Confident	0 Å²	0	54 Å²	54	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-53.7	-45.1	-176.6	-64	-173.7	0	0	0	111.7	V363 F367 I409 A412 I413 T417 A418 G424 S425 I426	V363-I422 HydrophobicContact CG1-CB 4.26Å; V363-I422 HydrophobicContact CG1-CD1 3.92Å; V363-I422 HydrophobicContact CG1-CG1 4.44Å; V363-I422 HydrophobicContact CG2-CB 4.33Å; V363-I422 HydrophobicContact CG2-CG2 4.03Å; F367-I422 HydrophobicContact CE2-CD1 3.94Å; F367-I422 HydrophobicContact CZ-CD1 4.47Å; I409-I422 HydrophobicContact CG1-CG2 4.19Å; A412-I422 HydrophobicContact CB-CD1 3.96Å; A412-I422 HydrophobicContact CB-CG1 3.96Å; A412-I422 HydrophobicContact CB-CG2 4Å; I413-I422 HydrophobicContact CD1-CD1 4.48Å; I413-I422 HydrophobicContact CG1-CD1 3.57Å; T417-I422 HydrophobicContact CG2-CG1 3.58Å; A418-I422 PolarHBondContact O-N 3.45Å; I422-G424 VanDerWaalsContact C-N 3.25Å; I422-G424 PolarHBondContact O-N 2.77Å; I422-S425 PolarHBondContact O-N 3.2Å; I422-S425 PolarHBondContact O-OG 3.42Å; I422-S425 VanDerWaalsContact O-OG 3.06Å; I422-I426 WeakPolarHBondContact O-CG1 3.19Å; I422-I426 PolarHBondContact O-N 3.49Å
423	C	88.7	Confident	76.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-26.2	-179.3	-61.9	0	0	0	0	113.8	C359 V360 L421 L428 C429	C359-C423 HydrophobicContact CB-CB 3.86Å; C359-C423 WeakPolarHBondContact CB-SG 3.48Å; C359-C423 PolarHBondContact O-SG 2.95Å; C359-C423 WeakPolarHBondContact SG-CA 3.39Å; C359-C423 WeakPolarHBondContact SG-CB 3.41Å; C359-C423 CovalentContact SG-SG 2.03Å; C359-C423 PolarHBondContact SG-SG 3.16Å; V360-C423 HydrophobicContact CG2-CB 4.11Å; V360-C423 PolarHBondContact N-SG 2.92Å; V360-C423 VanDerWaalsContact N-SG 3.42Å; L421-C423 VanDerWaalsContact C-N 3.29Å; L421-C423 PolarHBondContact O-N 3.22Å; C423-L428 PolarHBondContact O-N 2.98Å; C423-C429 HydrophobicContact CB-CB 4.25Å; C423-C429 PolarHBondContact O-N 3.24Å
424	G	85.2	Confident	74.3	Confident	25 Å²	25	67.8 Å²	67.8	26%	0.258	43%	0.432	S	S	.	.	H	α-helix	trans	-77.6	-44.2	171.2	0	0	0	0	0	112.3	L421 I422 I426 G427	L421-G424 WeakPolarHBondContact O-CA 3.07Å; L421-G424 PolarHBondContact O-N 2.03Å; I422-G424 VanDerWaalsContact C-N 3.25Å; I422-G424 PolarHBondContact O-N 2.77Å; G424-I426 VanDerWaalsContact C-N 3.35Å; G424-I426 PolarHBondContact O-N 3.29Å; G424-G427 PolarHBondContact O-N 2.04Å
425	S	81.9	Confident	71.9	Confident	83 Å²	83	72 Å²	72	58%	0.58	45%	0.449	S	S	*	.	H	α-helix	trans	-68.2	-30.9	-177.1	66.2	0	0	0	0	113.4	L421 I422 G427	L421-S425 PolarHBondContact O-N 3.48Å; I422-S425 PolarHBondContact O-N 3.2Å; I422-S425 PolarHBondContact O-OG 3.42Å; I422-S425 VanDerWaalsContact O-OG 3.06Å; S425-G427 VanDerWaalsContact C-N 3.28Å; S425-G427 PolarHBondContact O-N 3.3Å
426	I	80.2	Confident	69.6	Low	23 Å²	23	75.4 Å²	75.4	12%	0.118	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.6	172.4	71.7	-175.9	0	0	0	113.8	Y405 K408 I409 I422 G424 L428	Y405-I426 HydrophobicContact CD1-CD1 4.31Å; K408-I426 HydrophobicContact CB-CG2 3.89Å; K408-I426 HydrophobicContact CD-CB 4.38Å; K408-I426 HydrophobicContact CD-CG2 4.18Å; I409-I426 HydrophobicContact CG1-CD1 4.3Å; I422-I426 WeakPolarHBondContact O-CG1 3.19Å; I422-I426 PolarHBondContact O-N 3.49Å; G424-I426 VanDerWaalsContact C-N 3.35Å; G424-I426 PolarHBondContact O-N 3.29Å; I426-L428 HydrophobicContact CD1-CD1 3.75Å; I426-L428 HydrophobicContact CD1-CG 4.26Å; I426-L428 HydrophobicContact CG1-CB 4.33Å; I426-L428 HydrophobicContact CG1-CD1 4.05Å; I426-L428 HydrophobicContact CG1-CG 3.99Å
427	G	80.5	Confident	67.4	Low	63 Å²	63	79.9 Å²	79.9	65%	0.649	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	20.5	173.5	0	0	0	0	0	115.8	G424 S425	G424-G427 PolarHBondContact O-N 2.04Å; S425-G427 VanDerWaalsContact C-N 3.28Å; S425-G427 PolarHBondContact O-N 3.3Å
428	L	85.3	Confident	65	Low	35 Å²	35	81 Å²	81	18%	0.183	49%	0.493	C	S	.	.	S	Bend	trans	-96.6	-30.1	-177.4	-70.8	-176.6	0	0	0	114.3	V355 C356 C359 F401 Y405 C423 I426	V355-L428 HydrophobicContact CG1-CD1 4.04Å; V355-L428 HydrophobicContact CG1-CD2 3.76Å; V355-L428 HydrophobicContact CG1-CG 4.36Å; C356-L428 WeakPolarHBondContact CB-O 3.36Å; C359-L428 HydrophobicContact CB-CD1 4.39Å; F401-L428 HydrophobicContact CE2-CD1 3.49Å; F401-L428 VanDerWaalsContact CE2-CD1 3.49Å; F401-L428 HydrophobicContact CZ-CD1 3.67Å; Y405-L428 HydrophobicContact CD1-CD1 3.9Å; Y405-L428 HydrophobicContact CD2-CD1 3.87Å; Y405-L428 HydrophobicContact CE1-CD1 3.85Å; Y405-L428 HydrophobicContact CE1-CD2 3.97Å; Y405-L428 HydrophobicContact CE1-CG 4.11Å; Y405-L428 HydrophobicContact CE2-CD1 3.82Å; Y405-L428 HydrophobicContact CE2-CD2 4.29Å; Y405-L428 HydrophobicContact CG-CD1 3.93Å; C423-L428 PolarHBondContact O-N 2.98Å; I426-L428 HydrophobicContact CD1-CD1 3.75Å; I426-L428 HydrophobicContact CD1-CG 4.26Å; I426-L428 HydrophobicContact CG1-CB 4.33Å; I426-L428 HydrophobicContact CG1-CD1 4.05Å; I426-L428 HydrophobicContact CG1-CG 3.99Å
429	C	84	Confident	62.8	Low	22 Å²	22	87.3 Å²	87.3	15%	0.149	52%	0.52	C	S	.	.	S	Bend	trans	-106.3	144.2	167.9	-66.1	0	0	0	0	109.7	C356 C423 S431	C356-C429 VanDerWaalsContact CA-SG 3.54Å; C356-C429 HydrophobicContact CB-CB 4.04Å; C356-C429 WeakPolarHBondContact CB-SG 3.34Å; C356-C429 WeakPolarHBondContact SG-CB 3.21Å; C356-C429 CovalentContact SG-SG 2.04Å; C356-C429 PolarHBondContact SG-SG 3.06Å; C423-C429 HydrophobicContact CB-CB 4.25Å; C423-C429 PolarHBondContact O-N 3.24Å; C429-S431 PolarHBondContact O-N 3.06Å
430	A	76.6	Confident	60.9	Low	96 Å²	96	90.5 Å²	90.5	79%	0.793	54%	0.541	S	S	*	.			trans	-60.2	132.8	170.1	0	0	0	0	0	109.9
431	S	55.8	Low	58.9	Low	77 Å²	77	90.9 Å²	90.9	54%	0.538	55%	0.552	S	S	.	*			trans	-59.6	130.1	-176.6	-177.9	0	0	0	0	111.2	C429 I433	C429-S431 PolarHBondContact O-N 3.06Å; S431-I433 PolarHBondContact O-N 2.95Å
432	P	50.1	Low	56.7	Low	108 Å²	108	92.4 Å²	92.4	70%	0.701	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	0.8	-174.8	-26.1	35.5	0	0	0	117	H434	P432-H434 VanDerWaalsContact C-N 3.27Å; P432-H434 PolarHBondContact O-N 3.23Å
433	I	40	Very low	53.8	Low	137 Å²	137	97.1 Å²	97.1	70%	0.703	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-9.1	-166.7	-61.7	176.6	0	0	0	113.2	S431	S431-I433 PolarHBondContact O-N 2.95Å
434	H	36.7	Very low	51.3	Low	166 Å²	166	106.7 Å²	106.7	77%	0.769	65%	0.648	S	S	*	*	S	Bend	trans	-129.2	78.8	178.8	-74.3	-65.4	0	0	0	114.7	P432	P432-H434 VanDerWaalsContact C-N 3.27Å; P432-H434 PolarHBondContact O-N 3.23Å
435	Q	35.7	Very low	48.8	Very low	176 Å²	176	110.1 Å²	110.1	82%	0.822	67%	0.668	S	S	*	*			trans	-174.8	146	137.2	-106.4	166.2	57.7	0	0	115.1
436	K	33.3	Very low	46.3	Very low	187 Å²	187	113.5 Å²	113.5	81%	0.813	68%	0.678	S	S	*	*			trans	66.2	87.4	160.9	-62.7	175.1	-177	173.4	0	119.7
437	V	33.5	Very low	44.2	Very low	157 Å²	157	117.7 Å²	117.7	95%	0.952	71%	0.707	S	S	*	*				-128.7	152.8	119.6	-175.2	0	0	0	0	106.6
438	G	33.1	Very low	42.1	Very low	62 Å²	62	120.3 Å²	120.3	64%	0.639	71%	0.713	S	S	*	*			trans	-149.5	-169.8	-176.3	0	0	0	0	0	114.5
439	L	28.1	Very low	39.5	Very low	171 Å²	171	130.5 Å²	130.5	90%	0.895	75%	0.749	S	S	*	*			trans	74.8	149.1	-175.4	-103.9	69.8	0	0	0	115.5
440	P	31.1	Very low	37.4	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	78%	0.782	S	S	*	*				-130.5	172.7	-69.7	37.5	-23.4	0	0	0	114.9
441	S	27.1	Very low	35.1	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	77%	0.771	S	S	*	*			trans	-42.3	135.3	176.4	53.6	0	0	0	0	118
442	S	34	Very low	34.2	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	79%	0.789	S	S	*	*			trans	-149.3	142.6	132.5	-169.7	0	0	0	0	110.7
443	S	28.8	Very low	33.1	Very low	99 Å²	99	145.1 Å²	145.1	69%	0.692	78%	0.784	S	S	*	*			trans	-103.4	138.8	-175	55.9	0	0	0	0	112.5
444	Q	37.2	Very low	32.7	Very low	202 Å²	202	145 Å²	145	94%	0.944	79%	0.789	S	S	*	*			trans	-157.6	146.7	142.4	-116.6	150.5	84.9	0	0	112.4
445	S	31.6	Very low	32.3	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	79%	0.787	S	S	*	*			trans	-123.5	170.7	-161.4	51.9	0	0	0	0	112.6
446	L	29.7	Very low	31.9	Very low	153 Å²	153	141.9 Å²	141.9	80%	0.801	78%	0.783	S	S	*	*			trans	102.4	149.6	152.8	-63.7	152.8	0	0	0	117.1
447	P	36.9	Very low	31.5	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	78%	0.783	S	S	*	*			cis	-136.8	-145.9	-32.5	45.1	-27	0	0	0	111.4
448	P	34.7	Very low	31.2	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	78%	0.776	S	S	*	*			trans	-122.8	178.7	-130.5	28	-1.8	0	0	0	115.3
449	R	32.3	Very low	30.9	Very low	249 Å²	249	140.3 Å²	140.3	94%	0.94	79%	0.787	S	S	*	*			trans	-135.3	146.9	153.7	-150.6	173.5	-171.6	-158.9	-0	110
450	Q	39.8	Very low	30.9	Very low	181 Å²	181	138.3 Å²	138.3	85%	0.846	78%	0.777	S	S	*	*			trans	-84.9	159.8	-152.2	-69.6	160.5	-66	0	0	115.4
451	D	28.2	Very low	30.7	Very low	106 Å²	106	139.3 Å²	139.3	57%	0.567	79%	0.787	S	S	*	*			trans	-47.9	148.5	176.9	-52.1	-108.4	0	0	0	115	Q453	D451-Q453 HydrophobicContact CB-CG 4.48Å; D451-Q453 PolarHBondContact OD1-NE2 3.25Å
452	H	37	Very low	31.1	Very low	195 Å²	195	136.6 Å²	136.6	90%	0.903	77%	0.768	S	S	*	*				-128.4	106.9	114.2	-100.2	42.6	0	0	0	108.4
453	Q	26.5	Very low	31.3	Very low	127 Å²	127	135.3 Å²	135.3	59%	0.593	77%	0.773	S	S	*	*			trans	-80	136.7	168.4	-64.5	-178	29.2	0	0	109.3	D451 Q455	D451-Q453 HydrophobicContact CB-CG 4.48Å; D451-Q453 PolarHBondContact OD1-NE2 3.25Å; Q453-Q455 VanDerWaalsContact OE1-NE2 3.1Å
454	V	32.5	Very low	32.2	Very low	134 Å²	134	135.8 Å²	135.8	81%	0.812	77%	0.767	S	S	*	*			trans	-122.3	101.6	154.7	-179.8	0	0	0	0	107.3
455	Q	26.5	Very low	33.9	Very low	157 Å²	157	130.4 Å²	130.4	73%	0.734	75%	0.745	S	S	*	*			trans	-80.9	121	167.2	-59.2	169.8	7.4	0	0	108.1	Q453	Q453-Q455 VanDerWaalsContact OE1-NE2 3.1Å
456	T	27.6	Very low	36.1	Very low	121 Å²	121	129.8 Å²	129.8	74%	0.742	74%	0.737	S	S	*	*			trans	-163.3	107.1	145	12.9	0	0	0	0	112.5
457	T	25.2	Very low	38.5	Very low	133 Å²	133	123.8 Å²	123.8	82%	0.816	71%	0.707	S	S	*	*			trans	3.4	119	136.2	54.7	0	0	0	0	118.5
458	A	28.3	Very low	40.5	Very low	95 Å²	95	123.8 Å²	123.8	79%	0.785	70%	0.701	S	S	*	*			trans	-166	103.3	135.2	0	0	0	0	0	111.3	L460	A458-L460 PolarHBondContact O-N 2.87Å
459	T	25.1	Very low	42.5	Very low	144 Å²	144	121.6 Å²	121.6	88%	0.883	69%	0.685	S	S	*	*			trans	-70	122.1	158.7	39.6	0	0	0	0	109.4
460	L	28.4	Very low	45	Very low	129 Å²	129	110 Å²	110	68%	0.675	64%	0.642	S	S	*	*			trans	-123.4	89.4	166.2	-164.8	72	0	0	0	110.4	A458 S462	A458-L460 PolarHBondContact O-N 2.87Å; L460-S462 PolarHBondContact O-N 2.6Å
461	S	27.8	Very low	47.2	Very low	134 Å²	134	103.6 Å²	103.6	94%	0.937	61%	0.611	S	S	*	*			trans	-71.4	93.2	173	179.9	0	0	0	0	110
462	S	35.3	Very low	49.7	Very low	61 Å²	61	104.6 Å²	104.6	43%	0.427	61%	0.611	S	S	.	*			trans	-140.3	141.9	167.3	63.4	0	0	0	0	108.9	L460 I464	L460-S462 PolarHBondContact O-N 2.6Å; S462-I464 PolarHBondContact O-N 2.84Å
463	G	38.2	Very low	51.8	Low	94 Å²	94	99 Å²	99	97%	0.969	58%	0.584	S	S	*	*			trans	-75.2	45.8	-172.8	0	0	0	0	0	114.5
464	I	48.1	Very low	54.7	Low	109 Å²	109	93 Å²	93	56%	0.559	56%	0.556	S	S	*	*			trans	-95.5	112.2	178.6	-59.5	176.1	0	0	0	108	S462 V466 T469	S462-I464 PolarHBondContact O-N 2.84Å; I464-V466 PolarHBondContact O-N 2.99Å; I464-V466 VanDerWaalsContact O-N 3.07Å; I464-T469 VanDerWaalsContact CG2-OG1 3.3Å; I464-T469 WeakPolarHBondContact CG2-OG1 3.45Å
465	D	73.2	Confident	57	Low	90 Å²	90	92.1 Å²	92.1	48%	0.481	54%	0.543	S	S	.	.			trans	-67.3	106.7	169.3	-178.4	-20.3	0	0	0	108.9	C467 L468 T469	D465-C467 VanDerWaalsContact C-N 3.26Å; D465-C467 PolarHBondContact O-N 2.9Å; D465-C467 WeakPolarHBondContact OD1-CA 3.18Å; D465-C467 VanDerWaalsContact OD1-CB 3.26Å; D465-C467 WeakPolarHBondContact OD1-CB 3.05Å; D465-C467 PolarHBondContact OD1-N 2.95Å; D465-L468 HydrophobicContact CB-CB 3.75Å; D465-L468 VanDerWaalsContact CG-CB 3.47Å; D465-L468 PolarHBondContact O-N 2.92Å; D465-L468 PolarHBondContact OD1-N 3.48Å; D465-T469 VanDerWaalsContact O-CB 3.28Å; D465-T469 WeakPolarHBondContact O-CB 3.03Å; D465-T469 PolarHBondContact O-N 3.11Å; D465-T469 PolarHBondContact O-OG1 3.47Å
466	V	75.9	Confident	59.3	Low	84 Å²	84	87.5 Å²	87.5	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-33.5	-179.5	178.2	0	0	0	0	111.5	I464 C470 L539	I464-V466 PolarHBondContact O-N 2.99Å; I464-V466 VanDerWaalsContact O-N 3.07Å; V466-C470 WeakPolarHBondContact O-CB 3.43Å; V466-C470 PolarHBondContact O-N 3.12Å; V466-L539 HydrophobicContact CG1-CB 4.15Å; V466-L539 HydrophobicContact CG1-CD2 3.84Å; V466-L539 HydrophobicContact CG1-CG 4.48Å
467	C	81	Confident	61.9	Low	26 Å²	26	81.9 Å²	81.9	18%	0.176	49%	0.491	C	S	.	.	H	α-helix	trans	-73.3	-46.1	179.1	175.7	0	0	0	0	110.7	D465 T469 C470 K471 L539 C540	D465-C467 VanDerWaalsContact C-N 3.26Å; D465-C467 PolarHBondContact O-N 2.9Å; D465-C467 WeakPolarHBondContact OD1-CA 3.18Å; D465-C467 VanDerWaalsContact OD1-CB 3.26Å; D465-C467 WeakPolarHBondContact OD1-CB 3.05Å; D465-C467 PolarHBondContact OD1-N 2.95Å; C467-T469 VanDerWaalsContact C-N 3.34Å; C467-T469 PolarHBondContact O-N 3.39Å; C467-C470 PolarHBondContact O-N 3.06Å; C467-K471 WeakPolarHBondContact O-CG 3.37Å; C467-K471 PolarHBondContact O-N 3.17Å; C467-K471 WeakPolarHBondContact SG-CE 3.49Å; C467-L539 VanDerWaalsContact CA-O 3.29Å; C467-L539 WeakPolarHBondContact CA-O 3.17Å; C467-L539 WeakPolarHBondContact CB-O 3.04Å; C467-L539 PolarHBondContact N-O 3.3Å; C467-C540 WeakPolarHBondContact CA-SG 3.5Å; C467-C540 HydrophobicContact CB-CB 3.91Å; C467-C540 WeakPolarHBondContact CB-SG 3.37Å; C467-C540 VanDerWaalsContact SG-CA 3.59Å; C467-C540 WeakPolarHBondContact SG-CB 3.41Å; C467-C540 CovalentContact SG-SG 2.04Å; C467-C540 PolarHBondContact SG-SG 3.06Å
468	L	78.3	Confident	64.3	Low	112 Å²	112	78 Å²	78	59%	0.586	46%	0.462	S	S	*	.	H	α-helix	trans	-63.3	-39.7	173.5	-166.5	74.8	0	0	0	111.9	D465 K471 F472	D465-L468 HydrophobicContact CB-CB 3.75Å; D465-L468 VanDerWaalsContact CG-CB 3.47Å; D465-L468 PolarHBondContact O-N 2.92Å; D465-L468 PolarHBondContact OD1-N 3.48Å; L468-K471 PolarHBondContact O-N 3.29Å; L468-F472 WeakPolarHBondContact O-CB 3.47Å; L468-F472 PolarHBondContact O-N 3.02Å
469	T	77.2	Confident	66.5	Low	72 Å²	72	74.6 Å²	74.6	44%	0.442	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-43.1	176.2	-58.9	0	0	0	0	111	I464 D465 C467 F473	I464-T469 VanDerWaalsContact CG2-OG1 3.3Å; I464-T469 WeakPolarHBondContact CG2-OG1 3.45Å; D465-T469 VanDerWaalsContact O-CB 3.28Å; D465-T469 WeakPolarHBondContact O-CB 3.03Å; D465-T469 PolarHBondContact O-N 3.11Å; D465-T469 PolarHBondContact O-OG1 3.47Å; C467-T469 VanDerWaalsContact C-N 3.34Å; C467-T469 PolarHBondContact O-N 3.39Å; T469-F473 WeakPolarHBondContact O-CB 3Å; T469-F473 PolarHBondContact O-N 3.06Å
470	C	85.9	Confident	68.5	Low	7 Å²	7	70 Å²	70	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-62.7	-47.5	173.2	178.6	0	0	0	0	111.9	V466 C467 F472 F473 V474 C534 L539	V466-C470 WeakPolarHBondContact O-CB 3.43Å; V466-C470 PolarHBondContact O-N 3.12Å; C467-C470 PolarHBondContact O-N 3.06Å; C470-F472 VanDerWaalsContact C-N 3.34Å; C470-F472 PolarHBondContact O-N 3.29Å; C470-F473 WeakPolarHBondContact O-CB 3.29Å; C470-F473 PolarHBondContact O-N 3.25Å; C470-F473 VanDerWaalsContact O-N 3.08Å; C470-V474 WeakPolarHBondContact O-CG2 3.35Å; C470-V474 PolarHBondContact O-N 3.2Å; C470-C534 HydrophobicContact CB-CB 3.8Å; C470-C534 WeakPolarHBondContact CB-SG 3.35Å; C470-C534 WeakPolarHBondContact SG-CA 3.37Å; C470-C534 WeakPolarHBondContact SG-CB 3.42Å; C470-C534 CovalentContact SG-SG 2.03Å; C470-C534 PolarHBondContact SG-SG 2.98Å; C470-L539 HydrophobicContact CB-CB 3.8Å; C470-L539 HydrophobicContact CB-CD1 3.87Å
471	K	85.3	Confident	70.6	Confident	45 Å²	45	66 Å²	66	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-57.2	-48	179.2	-71.7	173.2	-163	-176.2	0	111.1	C467 L468 F473 V474 E475 E531 C534 C540	C467-K471 WeakPolarHBondContact O-CG 3.37Å; C467-K471 PolarHBondContact O-N 3.17Å; C467-K471 WeakPolarHBondContact SG-CE 3.49Å; L468-K471 PolarHBondContact O-N 3.29Å; K471-F473 VanDerWaalsContact C-N 3.32Å; K471-F473 PolarHBondContact O-N 2.9Å; K471-V474 PolarHBondContact O-N 3.03Å; K471-E475 WeakPolarHBondContact O-CB 3.18Å; K471-E475 VanDerWaalsContact O-CG 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.07Å; K471-E475 PolarHBondContact O-N 2.89Å; K471-E531 VanDerWaalsContact CE-CD 3.47Å; K471-E531 VanDerWaalsContact CE-OE1 3.25Å; K471-E531 WeakPolarHBondContact CE-OE1 3.43Å; K471-E531 WeakPolarHBondContact CE-OE2 3.28Å; K471-E531 IonicContact NZ-OE1 2.71Å; K471-E531 PolarHBondContact NZ-OE1 2.92Å; K471-E531 IonicContact NZ-OE2 2.82Å; K471-E531 PolarHBondContact NZ-OE2 2.95Å; K471-C534 PolarHBondContact N-SG 2.67Å; K471-C534 VanDerWaalsContact N-SG 3.36Å; K471-C540 WeakPolarHBondContact CE-SG 3.36Å
472	F	80.7	Confident	72.4	Confident	128 Å²	128	66.9 Å²	66.9	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-58.8	-40	175.5	174.6	-103.8	0	0	0	113	L468 C470 T476	L468-F472 WeakPolarHBondContact O-CB 3.47Å; L468-F472 PolarHBondContact O-N 3.02Å; C470-F472 VanDerWaalsContact C-N 3.34Å; C470-F472 PolarHBondContact O-N 3.29Å; F472-T476 VanDerWaalsContact O-CB 3.32Å; F472-T476 WeakPolarHBondContact O-CB 3.46Å; F472-T476 PolarHBondContact O-N 3.37Å; F472-T476 PolarHBondContact O-OG1 2.88Å
473	F	81.5	Confident	73.6	Confident	77 Å²	77	68.7 Å²	68.7	34%	0.338	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-43	176.3	-175.2	-101.8	0	0	0	112	T469 C470 K471 T476 L477 I494	T469-F473 WeakPolarHBondContact O-CB 3Å; T469-F473 PolarHBondContact O-N 3.06Å; C470-F473 WeakPolarHBondContact O-CB 3.29Å; C470-F473 PolarHBondContact O-N 3.25Å; C470-F473 VanDerWaalsContact O-N 3.08Å; K471-F473 VanDerWaalsContact C-N 3.32Å; K471-F473 PolarHBondContact O-N 2.9Å; F473-T476 WeakPolarHBondContact O-CB 3.38Å; F473-T476 PolarHBondContact O-N 3.02Å; F473-L477 HydrophobicContact CD1-CD1 3.89Å; F473-L477 HydrophobicContact CE1-CD1 3.62Å; F473-L477 HydrophobicContact CE1-CG 4.31Å; F473-L477 HydrophobicContact CZ-CD1 4.37Å; F473-L477 WeakPolarHBondContact O-CG 3.25Å; F473-L477 PolarHBondContact O-N 3.04Å; F473-I494 HydrophobicContact CE2-CD1 4.37Å; F473-I494 HydrophobicContact CE2-CG2 3.74Å; F473-I494 HydrophobicContact CZ-CD1 4.11Å; F473-I494 HydrophobicContact CZ-CG2 3.92Å
474	V	86	Confident	74.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-71.6	-37.3	178.7	178.8	0	0	0	0	112	C470 K471 T476 L477 Y478 V520 I524 P530 I533	C470-V474 WeakPolarHBondContact O-CG2 3.35Å; C470-V474 PolarHBondContact O-N 3.2Å; K471-V474 PolarHBondContact O-N 3.03Å; V474-T476 VanDerWaalsContact C-N 3.31Å; V474-T476 PolarHBondContact O-N 2.84Å; V474-L477 WeakPolarHBondContact O-CB 3.48Å; V474-L477 PolarHBondContact O-N 2.9Å; V474-Y478 HydrophobicContact CG1-CD2 4.06Å; V474-Y478 HydrophobicContact CG1-CE2 4.14Å; V474-Y478 WeakPolarHBondContact O-CD2 3.38Å; V474-Y478 PolarHBondContact O-N 2.87Å; V474-V520 HydrophobicContact CG2-CG1 4.17Å; V474-I524 HydrophobicContact CG1-CD1 4.41Å; V474-I524 HydrophobicContact CG1-CG1 4.49Å; V474-P530 HydrophobicContact CB-CB 4.13Å; V474-P530 HydrophobicContact CG1-CB 3.98Å; V474-P530 HydrophobicContact CG1-CG 4.17Å; V474-I533 HydrophobicContact CG1-CB 4.19Å; V474-I533 HydrophobicContact CG1-CD1 3.81Å; V474-I533 HydrophobicContact CG1-CG1 4.37Å; V474-I533 HydrophobicContact CG1-CG2 4.28Å; V474-I533 HydrophobicContact CG2-CB 4.35Å; V474-I533 HydrophobicContact CG2-CG2 3.83Å
475	E	82.1	Confident	75.4	Confident	117 Å²	117	69.5 Å²	69.5	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-39.8	168.7	-74.4	176.7	164.3	0	0	111.7	K471 Y478 G479 P530	K471-E475 WeakPolarHBondContact O-CB 3.18Å; K471-E475 VanDerWaalsContact O-CG 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.07Å; K471-E475 PolarHBondContact O-N 2.89Å; E475-Y478 WeakPolarHBondContact O-CB 3.36Å; E475-Y478 PolarHBondContact O-N 3.13Å; E475-G479 PolarHBondContact O-N 2.99Å; E475-P530 HydrophobicContact CG-CB 4.14Å; E475-P530 HydrophobicContact CG-CG 3.77Å
476	T	75.1	Confident	75.6	Confident	60 Å²	60	68.9 Å²	68.9	37%	0.368	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-42.6	174.9	-60.4	0	0	0	0	111.2	F472 F473 V474 G479 Q480	F472-T476 VanDerWaalsContact O-CB 3.32Å; F472-T476 WeakPolarHBondContact O-CB 3.46Å; F472-T476 PolarHBondContact O-N 3.37Å; F472-T476 PolarHBondContact O-OG1 2.88Å; F473-T476 WeakPolarHBondContact O-CB 3.38Å; F473-T476 PolarHBondContact O-N 3.02Å; V474-T476 VanDerWaalsContact C-N 3.31Å; V474-T476 PolarHBondContact O-N 2.84Å; T476-G479 PolarHBondContact O-N 2.7Å; T476-Q480 WeakPolarHBondContact O-CG 3.38Å; T476-Q480 PolarHBondContact O-N 3.15Å
477	L	80.4	Confident	75.6	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-48.1	172.8	-76.9	169.2	0	0	0	111.8	F473 V474 G479 Q480 L481 L490 I494 F517 V520 I524	F473-L477 HydrophobicContact CD1-CD1 3.89Å; F473-L477 HydrophobicContact CE1-CD1 3.62Å; F473-L477 HydrophobicContact CE1-CG 4.31Å; F473-L477 HydrophobicContact CZ-CD1 4.37Å; F473-L477 WeakPolarHBondContact O-CG 3.25Å; F473-L477 PolarHBondContact O-N 3.04Å; V474-L477 WeakPolarHBondContact O-CB 3.48Å; V474-L477 PolarHBondContact O-N 2.9Å; L477-G479 VanDerWaalsContact C-N 3.3Å; L477-G479 PolarHBondContact O-N 2.71Å; L477-Q480 PolarHBondContact O-N 3.17Å; L477-Q480 VanDerWaalsContact O-N 3.11Å; L477-L481 WeakPolarHBondContact O-CG 3.37Å; L477-L481 PolarHBondContact O-N 3.01Å; L477-L490 HydrophobicContact CD2-CD1 4.23Å; L477-L490 HydrophobicContact CD2-CD2 3.72Å; L477-L490 HydrophobicContact CD2-CG 3.91Å; L477-I494 HydrophobicContact CD2-CD1 3.44Å; L477-I494 VanDerWaalsContact CD2-CD1 3.44Å; L477-I494 HydrophobicContact CG-CD1 4.38Å; L477-F517 HydrophobicContact CD2-CD2 4.36Å; L477-F517 HydrophobicContact CD2-CE2 3.81Å; L477-V520 HydrophobicContact CD1-CB 4.47Å; L477-V520 HydrophobicContact CD1-CG1 3.44Å; L477-V520 VanDerWaalsContact CD1-CG1 3.44Å; L477-I524 HydrophobicContact CB-CD1 3.77Å; L477-I524 HydrophobicContact CD1-CD1 4.39Å
478	Y	77.3	Confident	75.5	Confident	51 Å²	51	74.7 Å²	74.7	20%	0.2	38%	0.377	C	S	.	.	H	α-helix	trans	-53.4	-46.6	173.3	-96.1	-66.1	0	0	0	112	V474 E475 L481 Q482 I524 Y528 P530	V474-Y478 HydrophobicContact CG1-CD2 4.06Å; V474-Y478 HydrophobicContact CG1-CE2 4.14Å; V474-Y478 WeakPolarHBondContact O-CD2 3.38Å; V474-Y478 PolarHBondContact O-N 2.87Å; E475-Y478 WeakPolarHBondContact O-CB 3.36Å; E475-Y478 PolarHBondContact O-N 3.13Å; Y478-L481 PolarHBondContact O-N 2.67Å; Y478-Q482 VanDerWaalsContact O-CG 3.28Å; Y478-Q482 WeakPolarHBondContact O-CG 3.03Å; Y478-Q482 PolarHBondContact O-N 3.4Å; Y478-I524 HydrophobicContact CD1-CG2 4.02Å; Y478-I524 HydrophobicContact CD2-CD1 4.45Å; Y478-I524 HydrophobicContact CD2-CG1 4.31Å; Y478-I524 HydrophobicContact CE1-CB 4.44Å; Y478-I524 HydrophobicContact CE1-CG1 4.47Å; Y478-I524 HydrophobicContact CE1-CG2 3.55Å; Y478-I524 HydrophobicContact CE2-CD1 4.49Å; Y478-I524 HydrophobicContact CE2-CG1 3.87Å; Y478-I524 HydrophobicContact CE2-CG2 4.46Å; Y478-Y528 PolarHBondContact OH-O 3.43Å; Y478-P530 HydrophobicContact CD2-CG 4.08Å; Y478-P530 HydrophobicContact CE2-CG 4.18Å
479	G	73.2	Confident	75.5	Confident	25 Å²	25	74.6 Å²	74.6	26%	0.258	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-35.2	176.7	0	0	0	0	0	113.8	E475 T476 L477 N483	E475-G479 PolarHBondContact O-N 2.99Å; T476-G479 PolarHBondContact O-N 2.7Å; L477-G479 VanDerWaalsContact C-N 3.3Å; L477-G479 PolarHBondContact O-N 2.71Å; G479-N483 PolarHBondContact O-ND2 2.97Å
480	Q	68.3	Low	75.6	Confident	47 Å²	47	71.2 Å²	71.2	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-75.6	-35.9	176.8	-66.9	-55	-73.2	0	0	113	T476 L477 N483 L490 L493	T476-Q480 WeakPolarHBondContact O-CG 3.38Å; T476-Q480 PolarHBondContact O-N 3.15Å; L477-Q480 PolarHBondContact O-N 3.17Å; L477-Q480 VanDerWaalsContact O-N 3.11Å; Q480-N483 WeakPolarHBondContact O-CB 3.26Å; Q480-N483 PolarHBondContact O-N 3.01Å; Q480-N483 VanDerWaalsContact O-N 3.12Å; Q480-L490 HydrophobicContact CB-CD1 3.43Å; Q480-L490 VanDerWaalsContact CB-CD1 3.43Å; Q480-L490 HydrophobicContact CB-CD2 4.03Å; Q480-L490 HydrophobicContact CB-CG 4.38Å; Q480-L490 HydrophobicContact CG-CD1 3.79Å; Q480-L493 HydrophobicContact CG-CD2 4.32Å
481	L	71.5	Confident	75.5	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-36.5	175.1	-70.3	165.3	0	0	0	111.8	L477 Y478 N483 N484 L490 I521 I524	L477-L481 WeakPolarHBondContact O-CG 3.37Å; L477-L481 PolarHBondContact O-N 3.01Å; Y478-L481 PolarHBondContact O-N 2.67Å; L481-N483 PolarHBondContact O-N 2.81Å; L481-N484 PolarHBondContact O-N 2.79Å; L481-L490 HydrophobicContact CD1-CD2 4.48Å; L481-L490 HydrophobicContact CD2-CD2 3.7Å; L481-L490 HydrophobicContact CG-CD2 3.68Å; L481-I521 HydrophobicContact CD1-CD1 3.92Å; L481-I521 HydrophobicContact CD2-CD1 4.2Å; L481-I524 HydrophobicContact CD1-CB 4.39Å; L481-I524 HydrophobicContact CD1-CD1 3.89Å; L481-I524 HydrophobicContact CD1-CG2 3.62Å
482	Q	65.9	Low	75.4	Confident	151 Å²	151	75.8 Å²	75.8	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.4	171.6	-73.2	174.3	27.1	0	0	113.3	Y478	Y478-Q482 VanDerWaalsContact O-CG 3.28Å; Y478-Q482 WeakPolarHBondContact O-CG 3.03Å; Y478-Q482 PolarHBondContact O-N 3.4Å
483	N	60.2	Low	75.4	Confident	99 Å²	99	73 Å²	73	53%	0.529	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	25.5	177.9	-71.7	-45.3	0	0	0	113.5	G479 Q480 L481 K485	G479-N483 PolarHBondContact O-ND2 2.97Å; Q480-N483 WeakPolarHBondContact O-CB 3.26Å; Q480-N483 PolarHBondContact O-N 3.01Å; Q480-N483 VanDerWaalsContact O-N 3.12Å; L481-N483 PolarHBondContact O-N 2.81Å; N483-K485 PolarHBondContact O-N 3.1Å; N483-K485 VanDerWaalsContact O-N 3.13Å
484	N	61.2	Low	75.3	Confident	150 Å²	150	70.5 Å²	70.5	80%	0.802	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	23.3	175.8	-69.5	-24.5	0	0	0	116.1	L481	L481-N484 PolarHBondContact O-N 2.79Å
485	K	63.8	Low	75.1	Confident	70 Å²	70	73.9 Å²	73.9	30%	0.304	37%	0.368	S	S	.	.			trans	-74.6	135.3	169.2	-69	-176.5	177.1	175.1	0	109.9	N483 L493	N483-K485 PolarHBondContact O-N 3.1Å; N483-K485 VanDerWaalsContact O-N 3.13Å; K485-L493 HydrophobicContact CD-CD2 4.25Å; K485-L493 VanDerWaalsContact NZ-CD2 3.34Å
486	T	77.4	Confident	75.1	Confident	77 Å²	77	72.4 Å²	72.4	47%	0.472	36%	0.364	S	S	.	.			trans	-66.1	158.6	168.6	60.7	0	0	0	0	110.8	E488 E489 L490	T486-E488 VanDerWaalsContact C-N 3.26Å; T486-E488 PolarHBondContact O-N 2.87Å; T486-E489 WeakPolarHBondContact CB-OE2 3.37Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.29Å; T486-E489 PolarHBondContact N-OE2 3.12Å; T486-E489 PolarHBondContact O-N 2.94Å; T486-E489 WeakPolarHBondContact OG1-CB 3.42Å; T486-E489 VanDerWaalsContact OG1-CD 3.25Å; T486-E489 WeakPolarHBondContact OG1-CG 3.06Å; T486-E489 PolarHBondContact OG1-N 3.34Å; T486-E489 PolarHBondContact OG1-OE2 3.11Å; T486-L490 WeakPolarHBondContact O-CB 3.4Å; T486-L490 PolarHBondContact O-N 2.83Å
487	E	76.6	Confident	75.3	Confident	94 Å²	94	72.2 Å²	72.2	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-56.2	-41.5	177.9	-63.9	173.8	-175.8	0	0	111.7	L490 K491 F517 I521	E487-L490 PolarHBondContact O-N 3.05Å; E487-K491 WeakPolarHBondContact O-CB 3.39Å; E487-K491 PolarHBondContact O-N 3.33Å; E487-F517 HydrophobicContact CB-CE1 4.46Å; E487-F517 WeakPolarHBondContact O-CE1 3.44Å; E487-F517 VanDerWaalsContact O-CZ 3.29Å; E487-F517 WeakPolarHBondContact O-CZ 3.38Å; E487-I521 HydrophobicContact CG-CG2 3.97Å; E487-I521 WeakPolarHBondContact OE1-CG2 3.39Å
488	E	78.4	Confident	75.4	Confident	139 Å²	139	72.2 Å²	72.2	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-67.9	-43.5	177.9	-65.9	-66.5	177.9	0	0	112.7	T486 L490 K491 H492	T486-E488 VanDerWaalsContact C-N 3.26Å; T486-E488 PolarHBondContact O-N 2.87Å; E488-L490 PolarHBondContact O-N 3.36Å; E488-K491 PolarHBondContact O-N 3.46Å; E488-H492 VanDerWaalsContact O-CB 3.3Å; E488-H492 WeakPolarHBondContact O-CB 3.48Å; E488-H492 PolarHBondContact O-N 3.4Å
489	E	77.5	Confident	75.6	Confident	110 Å²	110	74.5 Å²	74.5	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-35.5	173.3	-73.4	166.5	128.9	0	0	111.5	T486 L493	T486-E489 WeakPolarHBondContact CB-OE2 3.37Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.29Å; T486-E489 PolarHBondContact N-OE2 3.12Å; T486-E489 PolarHBondContact O-N 2.94Å; T486-E489 WeakPolarHBondContact OG1-CB 3.42Å; T486-E489 VanDerWaalsContact OG1-CD 3.25Å; T486-E489 WeakPolarHBondContact OG1-CG 3.06Å; T486-E489 PolarHBondContact OG1-N 3.34Å; T486-E489 PolarHBondContact OG1-OE2 3.11Å; E489-L493 VanDerWaalsContact O-CB 3.22Å; E489-L493 WeakPolarHBondContact O-CB 3.41Å; E489-L493 PolarHBondContact O-N 3.47Å
490	L	79.3	Confident	75.9	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-74.6	-40.8	178.2	-174.7	51.3	0	0	0	111.9	L477 Q480 L481 T486 E487 E488 H492 L493 I494 F517 I521	L477-L490 HydrophobicContact CD2-CD1 4.23Å; L477-L490 HydrophobicContact CD2-CD2 3.72Å; L477-L490 HydrophobicContact CD2-CG 3.91Å; Q480-L490 HydrophobicContact CB-CD1 3.43Å; Q480-L490 VanDerWaalsContact CB-CD1 3.43Å; Q480-L490 HydrophobicContact CB-CD2 4.03Å; Q480-L490 HydrophobicContact CB-CG 4.38Å; Q480-L490 HydrophobicContact CG-CD1 3.79Å; L481-L490 HydrophobicContact CD1-CD2 4.48Å; L481-L490 HydrophobicContact CD2-CD2 3.7Å; L481-L490 HydrophobicContact CG-CD2 3.68Å; T486-L490 WeakPolarHBondContact O-CB 3.4Å; T486-L490 PolarHBondContact O-N 2.83Å; E487-L490 PolarHBondContact O-N 3.05Å; E488-L490 PolarHBondContact O-N 3.36Å; L490-H492 VanDerWaalsContact C-N 3.33Å; L490-H492 PolarHBondContact O-N 2.91Å; L490-L493 HydrophobicContact CD1-CD2 4.01Å; L490-L493 WeakPolarHBondContact O-CB 2.98Å; L490-L493 PolarHBondContact O-N 3.28Å; L490-I494 HydrophobicContact CD1-CD1 3.95Å; L490-I494 HydrophobicContact CD1-CG1 4.26Å; L490-I494 HydrophobicContact CG-CD1 4.21Å; L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.41Å; L490-I494 PolarHBondContact O-N 3.22Å; L490-I494 VanDerWaalsContact O-N 3.09Å; L490-F517 HydrophobicContact CB-CE2 4.42Å; L490-F517 HydrophobicContact CB-CZ 4.05Å; L490-F517 HydrophobicContact CD2-CZ 4.44Å; L490-F517 HydrophobicContact CG-CE2 3.97Å; L490-F517 HydrophobicContact CG-CZ 4.03Å; L490-I521 HydrophobicContact CD2-CD1 4.41Å
491	K	83.8	Confident	76	Confident	30 Å²	30	80.6 Å²	80.6	13%	0.13	42%	0.424	C	S	.	.	H	α-helix	trans	-60	-44.9	172.3	-158.6	169.5	-170.1	168.1	0	110.5	E487 E488 I494 K495 I513 F517 D518	E487-K491 WeakPolarHBondContact O-CB 3.39Å; E487-K491 PolarHBondContact O-N 3.33Å; E488-K491 PolarHBondContact O-N 3.46Å; K491-I494 PolarHBondContact O-N 3.23Å; K491-K495 WeakPolarHBondContact O-CB 3.32Å; K491-K495 WeakPolarHBondContact O-CG 3.45Å; K491-K495 PolarHBondContact O-N 3.23Å; K491-I513 HydrophobicContact CG-CG2 4.27Å; K491-F517 HydrophobicContact CB-CD1 3.96Å; K491-F517 HydrophobicContact CB-CE1 3.62Å; K491-F517 HydrophobicContact CB-CE2 4.27Å; K491-F517 HydrophobicContact CB-CG 4.42Å; K491-F517 HydrophobicContact CB-CZ 3.8Å; K491-F517 HydrophobicContact CD-CD1 3.65Å; K491-F517 HydrophobicContact CD-CE1 3.99Å; K491-F517 HydrophobicContact CD-CG 4.32Å; K491-F517 HydrophobicContact CG-CD1 3.7Å; K491-F517 HydrophobicContact CG-CD2 4.46Å; K491-F517 HydrophobicContact CG-CE1 3.92Å; K491-F517 HydrophobicContact CG-CG 3.99Å; K491-F517 HydrophobicContact CG-CZ 4.4Å; K491-D518 IonicContact NZ-OD1 2.73Å; K491-D518 PolarHBondContact NZ-OD1 3.35Å; K491-D518 IonicContact NZ-OD2 2.66Å; K491-D518 PolarHBondContact NZ-OD2 3.27Å
492	H	83.7	Confident	76.1	Confident	117 Å²	117	82.7 Å²	82.7	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-67.5	-39	176.6	-163.7	-32.6	0	0	0	112.7	E488 L490 I494 K495 N496	E488-H492 VanDerWaalsContact O-CB 3.3Å; E488-H492 WeakPolarHBondContact O-CB 3.48Å; E488-H492 PolarHBondContact O-N 3.4Å; L490-H492 VanDerWaalsContact C-N 3.33Å; L490-H492 PolarHBondContact O-N 2.91Å; H492-I494 VanDerWaalsContact C-N 3.33Å; H492-I494 PolarHBondContact O-N 2.81Å; H492-K495 PolarHBondContact O-N 3.19Å; H492-N496 PolarHBondContact CE1-OD1 2.91Å; H492-N496 PolarHBondContact ND1-ND2 2.96Å; H492-N496 PolarHBondContact ND1-OD1 3.48Å; H492-N496 VanDerWaalsContact ND1-OD1 3.09Å; H492-N496 WeakPolarHBondContact O-CB 3.48Å; H492-N496 PolarHBondContact O-N 3.41Å; H492-N496 PolarHBondContact O-OD1 2.72Å
493	L	80.6	Confident	76.4	Confident	69 Å²	69	81.1 Å²	81.1	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175.8	-178.7	75	0	0	0	111.7	Q480 K485 E489 L490 N496 A497	Q480-L493 HydrophobicContact CG-CD2 4.32Å; K485-L493 HydrophobicContact CD-CD2 4.25Å; K485-L493 VanDerWaalsContact NZ-CD2 3.34Å; E489-L493 VanDerWaalsContact O-CB 3.22Å; E489-L493 WeakPolarHBondContact O-CB 3.41Å; E489-L493 PolarHBondContact O-N 3.47Å; L490-L493 HydrophobicContact CD1-CD2 4.01Å; L490-L493 WeakPolarHBondContact O-CB 2.98Å; L490-L493 PolarHBondContact O-N 3.28Å; L493-N496 WeakPolarHBondContact O-CB 3.43Å; L493-N496 PolarHBondContact O-N 2.03Å; L493-A497 PolarHBondContact O-N 2.03Å
494	I	79.2	Confident	76.9	Confident	25 Å²	25	79.5 Å²	79.5	13%	0.128	45%	0.448	C	S	.	.	H	α-helix	trans	-78.4	-36	-176.8	-56	167.7	0	0	0	110.4	F473 L477 L490 K491 H492 N496 A497 C498 I513 F517	F473-I494 HydrophobicContact CE2-CD1 4.37Å; F473-I494 HydrophobicContact CE2-CG2 3.74Å; F473-I494 HydrophobicContact CZ-CD1 4.11Å; F473-I494 HydrophobicContact CZ-CG2 3.92Å; L477-I494 HydrophobicContact CD2-CD1 3.44Å; L477-I494 VanDerWaalsContact CD2-CD1 3.44Å; L477-I494 HydrophobicContact CG-CD1 4.38Å; L490-I494 HydrophobicContact CD1-CD1 3.95Å; L490-I494 HydrophobicContact CD1-CG1 4.26Å; L490-I494 HydrophobicContact CG-CD1 4.21Å; L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.41Å; L490-I494 PolarHBondContact O-N 3.22Å; L490-I494 VanDerWaalsContact O-N 3.09Å; K491-I494 PolarHBondContact O-N 3.23Å; H492-I494 VanDerWaalsContact C-N 3.33Å; H492-I494 PolarHBondContact O-N 2.81Å; I494-N496 VanDerWaalsContact C-N 3.3Å; I494-N496 PolarHBondContact O-N 2.78Å; I494-A497 WeakPolarHBondContact O-CA 3Å; I494-A497 VanDerWaalsContact O-CB 3.31Å; I494-A497 WeakPolarHBondContact O-CB 3.4Å; I494-A497 PolarHBondContact O-N 2.79Å; I494-C498 PolarHBondContact O-N 3.06Å; I494-I513 HydrophobicContact CB-CD1 4.15Å; I494-I513 HydrophobicContact CG2-CD1 3.54Å; I494-I513 HydrophobicContact CG2-CG1 3.99Å; I494-F517 HydrophobicContact CD1-CD2 4.31Å; I494-F517 HydrophobicContact CD1-CE2 3.98Å
495	K	83	Confident	77.2	Confident	71 Å²	71	79.1 Å²	79.1	31%	0.309	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-39.3	168.3	-78.7	-169.3	173.2	-170.3	0	112.5	K491 H492 A497 C498 I513 D514	K491-K495 WeakPolarHBondContact O-CB 3.32Å; K491-K495 WeakPolarHBondContact O-CG 3.45Å; K491-K495 PolarHBondContact O-N 3.23Å; H492-K495 PolarHBondContact O-N 3.19Å; K495-A497 PolarHBondContact O-N 2.95Å; K495-C498 WeakPolarHBondContact O-CB 3.47Å; K495-C498 PolarHBondContact O-N 2.77Å; K495-C498 VanDerWaalsContact O-N 3.08Å; K495-I513 HydrophobicContact CG-CD1 4.07Å; K495-I513 HydrophobicContact CG-CG2 4.13Å; K495-D514 VanDerWaalsContact CE-CG 3.44Å; K495-D514 WeakPolarHBondContact CE-OD1 3.24Å; K495-D514 VanDerWaalsContact CE-OD2 3.27Å; K495-D514 WeakPolarHBondContact CE-OD2 3.49Å; K495-D514 IonicContact NZ-OD1 3.12Å; K495-D514 PolarHBondContact NZ-OD1 2.93Å; K495-D514 IonicContact NZ-OD2 2.63Å; K495-D514 PolarHBondContact NZ-OD2 3.39Å
496	N	81.6	Confident	77.8	Confident	87 Å²	87	76.6 Å²	76.6	47%	0.465	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-34.8	173.6	-74.3	-7.1	0	0	0	111.6	H492 L493 I494 C498 S499	H492-N496 PolarHBondContact CE1-OD1 2.91Å; H492-N496 PolarHBondContact ND1-ND2 2.96Å; H492-N496 PolarHBondContact ND1-OD1 3.48Å; H492-N496 VanDerWaalsContact ND1-OD1 3.09Å; H492-N496 WeakPolarHBondContact O-CB 3.48Å; H492-N496 PolarHBondContact O-N 3.41Å; H492-N496 PolarHBondContact O-OD1 2.72Å; L493-N496 WeakPolarHBondContact O-CB 3.43Å; L493-N496 PolarHBondContact O-N 2.03Å; I494-N496 VanDerWaalsContact C-N 3.3Å; I494-N496 PolarHBondContact O-N 2.78Å; N496-C498 VanDerWaalsContact C-N 3.31Å; N496-C498 PolarHBondContact O-N 2.77Å; N496-S499 WeakPolarHBondContact O-CB 3.36Å; N496-S499 PolarHBondContact O-N 3.06Å; N496-S499 VanDerWaalsContact O-N 3.14Å; N496-S499 PolarHBondContact O-OG 3.34Å
497	A	78.4	Confident	77.9	Confident	56 Å²	56	78.3 Å²	78.3	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-65.8	-29.9	175.1	0	0	0	0	0	113	L493 I494 K495 S499 V500	L493-A497 PolarHBondContact O-N 2.03Å; I494-A497 WeakPolarHBondContact O-CA 3Å; I494-A497 VanDerWaalsContact O-CB 3.31Å; I494-A497 WeakPolarHBondContact O-CB 3.4Å; I494-A497 PolarHBondContact O-N 2.79Å; K495-A497 PolarHBondContact O-N 2.95Å; A497-S499 PolarHBondContact O-N 2.64Å; A497-V500 WeakPolarHBondContact O-CB 3.29Å; A497-V500 PolarHBondContact O-N 2.9Å
498	C	83.8	Confident	77.9	Confident	1 Å²	1	80 Å²	80	1%	0.007	44%	0.437	C	S	.	.	H	α-helix	trans	-61.8	-28	172.2	-61.6	0	0	0	0	113.1	I494 K495 N496 V500 L501 A506 C509 I513	I494-C498 PolarHBondContact O-N 3.06Å; K495-C498 WeakPolarHBondContact O-CB 3.47Å; K495-C498 PolarHBondContact O-N 2.77Å; K495-C498 VanDerWaalsContact O-N 3.08Å; N496-C498 VanDerWaalsContact C-N 3.31Å; N496-C498 PolarHBondContact O-N 2.77Å; C498-V500 PolarHBondContact O-N 2.84Å; C498-L501 WeakPolarHBondContact O-CB 3.42Å; C498-L501 PolarHBondContact O-N 2.94Å; C498-A506 WeakPolarHBondContact O-CB 3.47Å; C498-C509 WeakPolarHBondContact CA-SG 3.33Å; C498-C509 HydrophobicContact CB-CB 3.67Å; C498-C509 WeakPolarHBondContact CB-SG 3.14Å; C498-C509 WeakPolarHBondContact SG-CB 3.49Å; C498-C509 CovalentContact SG-SG 2.04Å; C498-C509 PolarHBondContact SG-SG 2.95Å; C498-I513 WeakPolarHBondContact SG-CD1 3.14Å
499	S	80	Confident	78.1	Confident	99 Å²	99	75 Å²	75	69%	0.692	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.6	179	73.9	0	0	0	0	114.1	N496 A497	N496-S499 WeakPolarHBondContact O-CB 3.36Å; N496-S499 PolarHBondContact O-N 3.06Å; N496-S499 VanDerWaalsContact O-N 3.14Å; N496-S499 PolarHBondContact O-OG 3.34Å; A497-S499 PolarHBondContact O-N 2.64Å
500	V	79.9	Confident	78.5	Confident	125 Å²	125	71.4 Å²	71.4	76%	0.758	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.2	172.8	-170.9	0	0	0	0	111.8	A497 C498	A497-V500 WeakPolarHBondContact O-CB 3.29Å; A497-V500 PolarHBondContact O-N 2.9Å; C498-V500 PolarHBondContact O-N 2.84Å
501	L	70.6	Confident	78.8	Confident	75 Å²	75	75.3 Å²	75.3	39%	0.393	42%	0.422	S	S	.	.	S	Bend	trans	-82.8	153.2	178.9	-58.2	175.1	0	0	0	111.4	C498 A506 C509	C498-L501 WeakPolarHBondContact O-CB 3.42Å; C498-L501 PolarHBondContact O-N 2.94Å; L501-A506 HydrophobicContact CB-CB 4.43Å; L501-C509 HydrophobicContact CD1-CB 3.5Å; L501-C509 VanDerWaalsContact CD1-CB 3.5Å
502	P	73.6	Confident	78.6	Confident	90 Å²	90	77.3 Å²	77.3	58%	0.584	43%	0.434	S	S	*	.			trans	-58.7	149.6	170.9	-19.2	31.1	0	0	0	111	G504 Y505 A506	P502-G504 VanDerWaalsContact C-N 3.35Å; P502-G504 PolarHBondContact O-N 3.44Å; P502-G504 VanDerWaalsContact O-N 3.08Å; P502-Y505 HydrophobicContact CB-CD2 4.23Å; P502-Y505 HydrophobicContact CG-CD2 4.27Å; P502-Y505 WeakPolarHBondContact O-CA 3.05Å; P502-Y505 WeakPolarHBondContact O-CB 3.28Å; P502-Y505 PolarHBondContact O-N 2.91Å; P502-A506 PolarHBondContact O-N 3.43Å; P502-A506 VanDerWaalsContact O-N 3.08Å
503	V	72.7	Confident	78.7	Confident	119 Å²	119	72.3 Å²	72.3	72%	0.721	41%	0.411	S	S	*	.	H	α-helix	trans	-44.2	-51.5	-167.7	-174.3	0	0	0	0	113.9	Y505 A506	V503-Y505 PolarHBondContact O-N 3Å; V503-Y505 VanDerWaalsContact O-N 3.15Å; V503-A506 PolarHBondContact O-N 3.4Å; V503-A506 VanDerWaalsContact O-N 3.16Å
504	G	69	Low	79	Confident	64 Å²	64	72.8 Å²	72.8	66%	0.66	41%	0.414	S	S	*	.	H	α-helix	trans	-67.4	-12	-179.6	0	0	0	0	0	116.3	P502	P502-G504 VanDerWaalsContact C-N 3.35Å; P502-G504 PolarHBondContact O-N 3.44Å; P502-G504 VanDerWaalsContact O-N 3.08Å
505	Y	67.8	Low	79.3	Confident	142 Å²	142	78.7 Å²	78.7	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-100.6	-27	172.3	-67.3	-83.3	0	0	0	112.5	P502 V503 R508 C509	P502-Y505 HydrophobicContact CB-CD2 4.23Å; P502-Y505 HydrophobicContact CG-CD2 4.27Å; P502-Y505 WeakPolarHBondContact O-CA 3.05Å; P502-Y505 WeakPolarHBondContact O-CB 3.28Å; P502-Y505 PolarHBondContact O-N 2.91Å; V503-Y505 PolarHBondContact O-N 3Å; V503-Y505 VanDerWaalsContact O-N 3.15Å; Y505-R508 PolarHBondContact O-N 3.49Å; Y505-C509 WeakPolarHBondContact O-CB 3.21Å; Y505-C509 PolarHBondContact O-N 3.05Å
506	A	76.5	Confident	79.2	Confident	17 Å²	17	78.3 Å²	78.3	14%	0.14	43%	0.432	C	S	.	.	H	α-helix	trans	-63.6	-42.8	179.1	0	0	0	0	0	112.1	C498 L501 P502 V503 C509 S510	C498-A506 WeakPolarHBondContact O-CB 3.47Å; L501-A506 HydrophobicContact CB-CB 4.43Å; P502-A506 PolarHBondContact O-N 3.43Å; P502-A506 VanDerWaalsContact O-N 3.08Å; V503-A506 PolarHBondContact O-N 3.4Å; V503-A506 VanDerWaalsContact O-N 3.16Å; A506-C509 PolarHBondContact O-N 3.32Å; A506-S510 WeakPolarHBondContact O-CB 3.1Å; A506-S510 PolarHBondContact O-N 3.38Å; A506-S510 PolarHBondContact O-OG 2.81Å
507	D	80.1	Confident	79.5	Confident	114 Å²	114	74.4 Å²	74.4	61%	0.61	41%	0.41	S	S	*	.	H	α-helix	trans	-62	-49	175.5	-65.1	-27.2	0	0	0	111.1	C509 S510 E511	D507-C509 VanDerWaalsContact C-N 3.35Å; D507-C509 PolarHBondContact O-N 3.49Å; D507-S510 WeakPolarHBondContact O-CB 3.42Å; D507-S510 PolarHBondContact O-N 3.37Å; D507-S510 VanDerWaalsContact O-N 3.14Å; D507-E511 PolarHBondContact O-N 2.9Å
508	R	76.3	Confident	79.9	Confident	130 Å²	130	74.9 Å²	74.9	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-35.7	-179.7	-173.2	57.1	172.3	-173.9	4.7	112.6	Y505 E511 L512	Y505-R508 PolarHBondContact O-N 3.49Å; R508-E511 VanDerWaalsContact CD-OE2 3.23Å; R508-E511 WeakPolarHBondContact CD-OE2 3.29Å; R508-E511 IonicContact CZ-OE1 3.81Å; R508-E511 IonicContact CZ-OE2 2.9Å; R508-E511 IonicContact NE-OE2 2.99Å; R508-E511 IonicContact NH1-OE1 3.36Å; R508-E511 PolarHBondContact NH1-OE1 3.3Å; R508-E511 IonicContact NH1-OE2 2.79Å; R508-E511 PolarHBondContact NH1-OE2 2.04Å; R508-L512 HydrophobicContact CG-CD1 4.33Å; R508-L512 WeakPolarHBondContact O-CB 3.5Å; R508-L512 WeakPolarHBondContact O-CD1 3.03Å; R508-L512 WeakPolarHBondContact O-CG 3.09Å; R508-L512 PolarHBondContact O-N 3.43Å
509	C	83.1	Confident	79.9	Confident	32 Å²	32	78.7 Å²	78.7	22%	0.216	43%	0.425	C	S	.	.	H	α-helix	trans	-62.3	-44.4	171.8	176.1	0	0	0	0	111.2	C498 L501 Y505 A506 D507 L512 I513	C498-C509 WeakPolarHBondContact CA-SG 3.33Å; C498-C509 HydrophobicContact CB-CB 3.67Å; C498-C509 WeakPolarHBondContact CB-SG 3.14Å; C498-C509 WeakPolarHBondContact SG-CB 3.49Å; C498-C509 CovalentContact SG-SG 2.04Å; C498-C509 PolarHBondContact SG-SG 2.95Å; L501-C509 HydrophobicContact CD1-CB 3.5Å; L501-C509 VanDerWaalsContact CD1-CB 3.5Å; Y505-C509 WeakPolarHBondContact O-CB 3.21Å; Y505-C509 PolarHBondContact O-N 3.05Å; A506-C509 PolarHBondContact O-N 3.32Å; D507-C509 VanDerWaalsContact C-N 3.35Å; D507-C509 PolarHBondContact O-N 3.49Å; C509-L512 PolarHBondContact O-N 2.94Å; C509-I513 WeakPolarHBondContact O-CG1 3.36Å; C509-I513 PolarHBondContact O-N 2.94Å
510	S	85.3	Confident	80.2	Confident	36 Å²	36	74.1 Å²	74.1	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-44	178.3	-56.1	0	0	0	0	111.9	A506 D507 L512 I513 D514	A506-S510 WeakPolarHBondContact O-CB 3.1Å; A506-S510 PolarHBondContact O-N 3.38Å; A506-S510 PolarHBondContact O-OG 2.81Å; D507-S510 WeakPolarHBondContact O-CB 3.42Å; D507-S510 PolarHBondContact O-N 3.37Å; D507-S510 VanDerWaalsContact O-N 3.14Å; S510-L512 PolarHBondContact O-N 3.36Å; S510-I513 PolarHBondContact O-N 3.49Å; S510-D514 PolarHBondContact O-N 2.73Å
511	E	86	Confident	80.5	Confident	83 Å²	83	68.4 Å²	68.4	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-44.1	173.6	-173.3	-156.6	146.8	0	0	112.2	D507 R508 I513 D514 R515	D507-E511 PolarHBondContact O-N 2.9Å; R508-E511 VanDerWaalsContact CD-OE2 3.23Å; R508-E511 WeakPolarHBondContact CD-OE2 3.29Å; R508-E511 IonicContact CZ-OE1 3.81Å; R508-E511 IonicContact CZ-OE2 2.9Å; R508-E511 IonicContact NE-OE2 2.99Å; R508-E511 IonicContact NH1-OE1 3.36Å; R508-E511 PolarHBondContact NH1-OE1 3.3Å; R508-E511 IonicContact NH1-OE2 2.79Å; R508-E511 PolarHBondContact NH1-OE2 2.04Å; E511-I513 PolarHBondContact O-N 3.27Å; E511-D514 PolarHBondContact O-N 3.22Å; E511-R515 VanDerWaalsContact O-CB 3.23Å; E511-R515 WeakPolarHBondContact O-CB 3.2Å; E511-R515 PolarHBondContact O-N 2.79Å
512	L	79.6	Confident	81.2	Confident	72 Å²	72	69.5 Å²	69.5	38%	0.377	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-36.5	179.2	-71.9	168	0	0	0	112.3	R508 C509 S510 Y516	R508-L512 HydrophobicContact CG-CD1 4.33Å; R508-L512 WeakPolarHBondContact O-CB 3.5Å; R508-L512 WeakPolarHBondContact O-CD1 3.03Å; R508-L512 WeakPolarHBondContact O-CG 3.09Å; R508-L512 PolarHBondContact O-N 3.43Å; C509-L512 PolarHBondContact O-N 2.94Å; S510-L512 PolarHBondContact O-N 3.36Å; L512-Y516 HydrophobicContact CD2-CD2 4.14Å; L512-Y516 HydrophobicContact CD2-CE2 3.72Å; L512-Y516 WeakPolarHBondContact O-CB 3.41Å; L512-Y516 WeakPolarHBondContact O-CD2 3.46Å; L512-Y516 PolarHBondContact O-N 2.03Å
513	I	86.4	Confident	81.8	Confident	11 Å²	11	66.3 Å²	66.3	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-51.5	173.8	-64.6	164.7	0	0	0	110.3	K491 I494 K495 C498 C509 S510 E511 R515 Y516 F517	K491-I513 HydrophobicContact CG-CG2 4.27Å; I494-I513 HydrophobicContact CB-CD1 4.15Å; I494-I513 HydrophobicContact CG2-CD1 3.54Å; I494-I513 HydrophobicContact CG2-CG1 3.99Å; K495-I513 HydrophobicContact CG-CD1 4.07Å; K495-I513 HydrophobicContact CG-CG2 4.13Å; C498-I513 WeakPolarHBondContact SG-CD1 3.14Å; C509-I513 WeakPolarHBondContact O-CG1 3.36Å; C509-I513 PolarHBondContact O-N 2.94Å; S510-I513 PolarHBondContact O-N 3.49Å; E511-I513 PolarHBondContact O-N 3.27Å; I513-R515 PolarHBondContact O-N 2.91Å; I513-Y516 PolarHBondContact O-N 2.89Å; I513-F517 HydrophobicContact CG2-CB 4.01Å; I513-F517 HydrophobicContact CG2-CD2 4.47Å; I513-F517 HydrophobicContact CG2-CG 4.45Å; I513-F517 WeakPolarHBondContact O-CB 3.47Å; I513-F517 PolarHBondContact O-N 2.9Å
514	D	86.2	Confident	82.4	Confident	80 Å²	80	61.4 Å²	61.4	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-25.3	-179.9	-79.6	-35.4	0	0	0	113	K495 S510 E511	K495-D514 VanDerWaalsContact CE-CG 3.44Å; K495-D514 WeakPolarHBondContact CE-OD1 3.24Å; K495-D514 VanDerWaalsContact CE-OD2 3.27Å; K495-D514 WeakPolarHBondContact CE-OD2 3.49Å; K495-D514 IonicContact NZ-OD1 3.12Å; K495-D514 PolarHBondContact NZ-OD1 2.93Å; K495-D514 IonicContact NZ-OD2 2.63Å; K495-D514 PolarHBondContact NZ-OD2 3.39Å; S510-D514 PolarHBondContact O-N 2.73Å; E511-D514 PolarHBondContact O-N 3.22Å
515	R	85.3	Confident	83	Confident	149 Å²	149	64 Å²	64	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-81.1	-41.8	175.7	-178.7	173.4	177	154.1	0.8	114.3	E511 I513	E511-R515 VanDerWaalsContact O-CB 3.23Å; E511-R515 WeakPolarHBondContact O-CB 3.2Å; E511-R515 PolarHBondContact O-N 2.79Å; I513-R515 PolarHBondContact O-N 2.91Å
516	Y	81.5	Confident	83.8	Confident	63 Å²	63	62.5 Å²	62.5	25%	0.247	30%	0.304	C	S	.	.	H	α-helix	trans	-110.9	-19.6	-168.1	-66.2	-62.8	0	0	0	114.9	L512 I513 D518 D519 V520 I537	L512-Y516 HydrophobicContact CD2-CD2 4.14Å; L512-Y516 HydrophobicContact CD2-CE2 3.72Å; L512-Y516 WeakPolarHBondContact O-CB 3.41Å; L512-Y516 WeakPolarHBondContact O-CD2 3.46Å; L512-Y516 PolarHBondContact O-N 2.03Å; I513-Y516 PolarHBondContact O-N 2.89Å; Y516-D518 PolarHBondContact O-N 3.3Å; Y516-D519 PolarHBondContact O-N 2.9Å; Y516-V520 WeakPolarHBondContact O-CB 3.48Å; Y516-V520 VanDerWaalsContact O-CG2 3.29Å; Y516-V520 WeakPolarHBondContact O-CG2 3.42Å; Y516-V520 PolarHBondContact O-N 3.13Å; Y516-I537 HydrophobicContact CD1-CB 4.41Å; Y516-I537 HydrophobicContact CD1-CG2 4.41Å
517	F	87.3	Confident	84.1	Confident	4 Å²	4	68 Å²	68	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-51.9	-174.1	-176.7	-92.6	0	0	0	112.1	L477 E487 L490 K491 I494 I513 D519 V520 I521	L477-F517 HydrophobicContact CD2-CD2 4.36Å; L477-F517 HydrophobicContact CD2-CE2 3.81Å; E487-F517 HydrophobicContact CB-CE1 4.46Å; E487-F517 WeakPolarHBondContact O-CE1 3.44Å; E487-F517 VanDerWaalsContact O-CZ 3.29Å; E487-F517 WeakPolarHBondContact O-CZ 3.38Å; L490-F517 HydrophobicContact CB-CE2 4.42Å; L490-F517 HydrophobicContact CB-CZ 4.05Å; L490-F517 HydrophobicContact CD2-CZ 4.44Å; L490-F517 HydrophobicContact CG-CE2 3.97Å; L490-F517 HydrophobicContact CG-CZ 4.03Å; K491-F517 HydrophobicContact CB-CD1 3.96Å; K491-F517 HydrophobicContact CB-CE1 3.62Å; K491-F517 HydrophobicContact CB-CE2 4.27Å; K491-F517 HydrophobicContact CB-CG 4.42Å; K491-F517 HydrophobicContact CB-CZ 3.8Å; K491-F517 HydrophobicContact CD-CD1 3.65Å; K491-F517 HydrophobicContact CD-CE1 3.99Å; K491-F517 HydrophobicContact CD-CG 4.32Å; K491-F517 HydrophobicContact CG-CD1 3.7Å; K491-F517 HydrophobicContact CG-CD2 4.46Å; K491-F517 HydrophobicContact CG-CE1 3.92Å; K491-F517 HydrophobicContact CG-CG 3.99Å; K491-F517 HydrophobicContact CG-CZ 4.4Å; I494-F517 HydrophobicContact CD1-CD2 4.31Å; I494-F517 HydrophobicContact CD1-CE2 3.98Å; I513-F517 HydrophobicContact CG2-CB 4.01Å; I513-F517 HydrophobicContact CG2-CD2 4.47Å; I513-F517 HydrophobicContact CG2-CG 4.45Å; I513-F517 WeakPolarHBondContact O-CB 3.47Å; I513-F517 PolarHBondContact O-N 2.9Å; F517-D519 VanDerWaalsContact C-N 3.26Å; F517-D519 PolarHBondContact O-N 3.11Å; F517-V520 PolarHBondContact O-N 3.07Å; F517-I521 HydrophobicContact CD1-CG1 3.94Å; F517-I521 HydrophobicContact CE1-CD1 4.14Å; F517-I521 HydrophobicContact CE1-CG1 3.58Å; F517-I521 HydrophobicContact CE2-CD1 4.15Å; F517-I521 HydrophobicContact CE2-CG1 4.18Å; F517-I521 HydrophobicContact CG-CG1 4.39Å; F517-I521 HydrophobicContact CZ-CD1 3.76Å; F517-I521 HydrophobicContact CZ-CG1 3.71Å; F517-I521 VanDerWaalsContact O-CG1 3.29Å; F517-I521 WeakPolarHBondContact O-CG1 3.39Å; F517-I521 PolarHBondContact O-N 3.38Å
518	D	87.1	Confident	84.3	Confident	66 Å²	66	67 Å²	67	35%	0.353	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-29.8	-173.8	-57.8	-29.7	0	0	0	112.3	K491 Y516 K522	K491-D518 IonicContact NZ-OD1 2.73Å; K491-D518 PolarHBondContact NZ-OD1 3.35Å; K491-D518 IonicContact NZ-OD2 2.66Å; K491-D518 PolarHBondContact NZ-OD2 3.27Å; Y516-D518 PolarHBondContact O-N 3.3Å; D518-K522 VanDerWaalsContact O-CD 3.28Å; D518-K522 WeakPolarHBondContact O-CD 3.24Å; D518-K522 WeakPolarHBondContact O-CE 3.43Å; D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 3.47Å; D518-K522 PolarHBondContact O-NZ 2.91Å
519	D	84.3	Confident	84.8	Confident	81 Å²	81	64 Å²	64	43%	0.433	32%	0.316	S	S	.	.	H	α-helix	trans	-82.3	-37.1	176.4	-71.9	-16.7	0	0	0	112.2	Y516 F517 I521 K522 L523	Y516-D519 PolarHBondContact O-N 2.9Å; F517-D519 VanDerWaalsContact C-N 3.26Å; F517-D519 PolarHBondContact O-N 3.11Å; D519-I521 VanDerWaalsContact C-N 3.34Å; D519-K522 PolarHBondContact O-N 2.93Å; D519-K522 IonicContact OD1-NZ 3.63Å; D519-K522 PolarHBondContact OD1-NZ 2.91Å; D519-L523 VanDerWaalsContact O-CG 3.24Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.34Å
520	V	84.6	Confident	84.9	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-41.4	172.4	169.4	0	0	0	0	111	V474 L477 Y516 F517 L523 I524 I533 I537	V474-V520 HydrophobicContact CG2-CG1 4.17Å; L477-V520 HydrophobicContact CD1-CB 4.47Å; L477-V520 HydrophobicContact CD1-CG1 3.44Å; L477-V520 VanDerWaalsContact CD1-CG1 3.44Å; Y516-V520 WeakPolarHBondContact O-CB 3.48Å; Y516-V520 VanDerWaalsContact O-CG2 3.29Å; Y516-V520 WeakPolarHBondContact O-CG2 3.42Å; Y516-V520 PolarHBondContact O-N 3.13Å; F517-V520 PolarHBondContact O-N 3.07Å; V520-L523 PolarHBondContact O-N 3.29Å; V520-I524 HydrophobicContact CG1-CD1 3.97Å; V520-I524 HydrophobicContact CG1-CG1 4.45Å; V520-I524 WeakPolarHBondContact O-CG1 3.36Å; V520-I524 PolarHBondContact O-N 2.85Å; V520-I533 HydrophobicContact CB-CG2 4.36Å; V520-I533 HydrophobicContact CG1-CG2 4.04Å; V520-I533 HydrophobicContact CG2-CG2 3.9Å; V520-I537 HydrophobicContact CG2-CD1 3.98Å
521	I	86.7	Confident	84.8	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-50	176.1	-67.8	-68.5	0	0	0	111	L481 E487 L490 F517 D519 L523 I524 E525	L481-I521 HydrophobicContact CD1-CD1 3.92Å; L481-I521 HydrophobicContact CD2-CD1 4.2Å; E487-I521 HydrophobicContact CG-CG2 3.97Å; E487-I521 WeakPolarHBondContact OE1-CG2 3.39Å; L490-I521 HydrophobicContact CD2-CD1 4.41Å; F517-I521 HydrophobicContact CD1-CG1 3.94Å; F517-I521 HydrophobicContact CE1-CD1 4.14Å; F517-I521 HydrophobicContact CE1-CG1 3.58Å; F517-I521 HydrophobicContact CE2-CD1 4.15Å; F517-I521 HydrophobicContact CE2-CG1 4.18Å; F517-I521 HydrophobicContact CG-CG1 4.39Å; F517-I521 HydrophobicContact CZ-CD1 3.76Å; F517-I521 HydrophobicContact CZ-CG1 3.71Å; F517-I521 VanDerWaalsContact O-CG1 3.29Å; F517-I521 WeakPolarHBondContact O-CG1 3.39Å; F517-I521 PolarHBondContact O-N 3.38Å; D519-I521 VanDerWaalsContact C-N 3.34Å; I521-L523 PolarHBondContact O-N 2.89Å; I521-I524 WeakPolarHBondContact O-CA 3.25Å; I521-I524 WeakPolarHBondContact O-CB 3.37Å; I521-I524 PolarHBondContact O-N 3.43Å; I521-E525 PolarHBondContact O-N 2.9Å
522	K	85.3	Confident	84.8	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-56.3	-39.2	175.7	-67.9	161.2	-151.9	152.2	0	112.2	D518 D519 N526	D518-K522 VanDerWaalsContact O-CD 3.28Å; D518-K522 WeakPolarHBondContact O-CD 3.24Å; D518-K522 WeakPolarHBondContact O-CE 3.43Å; D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 3.47Å; D518-K522 PolarHBondContact O-NZ 2.91Å; D519-K522 PolarHBondContact O-N 2.93Å; D519-K522 IonicContact OD1-NZ 3.63Å; D519-K522 PolarHBondContact OD1-NZ 2.91Å; K522-N526 WeakPolarHBondContact O-CB 2.99Å; K522-N526 PolarHBondContact O-N 3.23Å; K522-N526 VanDerWaalsContact O-N 3.08Å; K522-N526 PolarHBondContact O-ND2 2.95Å
523	L	86.9	Confident	85.2	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-68.5	-38.8	177.1	-67.5	166.9	0	0	0	111.4	D519 V520 I521 N526 N527 Y528 I533 T536 I537	D519-L523 VanDerWaalsContact O-CG 3.24Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.34Å; V520-L523 PolarHBondContact O-N 3.29Å; I521-L523 PolarHBondContact O-N 2.89Å; L523-N526 CarbonylContact O-C 3.57Å; L523-N526 PolarHBondContact O-N 3.28Å; L523-N527 PolarHBondContact O-N 3.26Å; L523-Y528 HydrophobicContact CB-CG 4.21Å; L523-Y528 HydrophobicContact CD2-CD1 3.69Å; L523-Y528 HydrophobicContact CD2-CD2 4.13Å; L523-Y528 HydrophobicContact CD2-CE1 3.72Å; L523-Y528 HydrophobicContact CD2-CE2 4.16Å; L523-Y528 HydrophobicContact CD2-CG 3.92Å; L523-Y528 WeakPolarHBondContact O-CB 3.45Å; L523-Y528 WeakPolarHBondContact O-CD2 3.46Å; L523-Y528 PolarHBondContact O-N 2.99Å; L523-I533 HydrophobicContact CB-CD1 3.64Å; L523-I533 HydrophobicContact CB-CG1 3.78Å; L523-I533 HydrophobicContact CD1-CG1 4.49Å; L523-I533 HydrophobicContact CD1-CG2 4.15Å; L523-T536 HydrophobicContact CD1-CG2 3.87Å; L523-T536 HydrophobicContact CD2-CG2 4.22Å; L523-I537 HydrophobicContact CD1-CG2 4.48Å
524	I	84.1	Confident	85.3	Confident	15 Å²	15	60.9 Å²	60.9	8%	0.077	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-46.7	172.8	-71	171.5	0	0	0	111.3	V474 L477 Y478 L481 V520 I521 N526 N527 I533	V474-I524 HydrophobicContact CG1-CD1 4.41Å; V474-I524 HydrophobicContact CG1-CG1 4.49Å; L477-I524 HydrophobicContact CB-CD1 3.77Å; L477-I524 HydrophobicContact CD1-CD1 4.39Å; Y478-I524 HydrophobicContact CD1-CG2 4.02Å; Y478-I524 HydrophobicContact CD2-CD1 4.45Å; Y478-I524 HydrophobicContact CD2-CG1 4.31Å; Y478-I524 HydrophobicContact CE1-CB 4.44Å; Y478-I524 HydrophobicContact CE1-CG1 4.47Å; Y478-I524 HydrophobicContact CE1-CG2 3.55Å; Y478-I524 HydrophobicContact CE2-CD1 4.49Å; Y478-I524 HydrophobicContact CE2-CG1 3.87Å; Y478-I524 HydrophobicContact CE2-CG2 4.46Å; L481-I524 HydrophobicContact CD1-CB 4.39Å; L481-I524 HydrophobicContact CD1-CD1 3.89Å; L481-I524 HydrophobicContact CD1-CG2 3.62Å; V520-I524 HydrophobicContact CG1-CD1 3.97Å; V520-I524 HydrophobicContact CG1-CG1 4.45Å; V520-I524 WeakPolarHBondContact O-CG1 3.36Å; V520-I524 PolarHBondContact O-N 2.85Å; I521-I524 WeakPolarHBondContact O-CA 3.25Å; I521-I524 WeakPolarHBondContact O-CB 3.37Å; I521-I524 PolarHBondContact O-N 3.43Å; I524-N526 VanDerWaalsContact C-N 3.27Å; I524-N526 PolarHBondContact O-N 3.34Å; I524-N527 WeakPolarHBondContact O-CA 3.28Å; I524-N527 PolarHBondContact O-N 3.38Å; I524-I533 HydrophobicContact CB-CD1 4.39Å; I524-I533 HydrophobicContact CD1-CD1 4.49Å; I524-I533 HydrophobicContact CG1-CD1 3.46Å; I524-I533 VanDerWaalsContact CG1-CD1 3.46Å
525	E	83	Confident	85.4	Confident	120 Å²	120	60 Å²	60	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-57.1	-40.7	175.4	-70.1	-171.2	101.6	0	0	112.1	I521 N527	I521-E525 PolarHBondContact O-N 2.9Å; E525-N527 PolarHBondContact O-N 3.46Å; E525-N527 PolarHBondContact O-ND2 2.66Å
526	N	83.6	Confident	85.4	Confident	110 Å²	110	56.6 Å²	56.6	59%	0.588	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	10.6	176.4	-74.7	-83.1	0	0	0	113.4	K522 L523 I524 Y528	K522-N526 WeakPolarHBondContact O-CB 2.99Å; K522-N526 PolarHBondContact O-N 3.23Å; K522-N526 VanDerWaalsContact O-N 3.08Å; K522-N526 PolarHBondContact O-ND2 2.95Å; L523-N526 CarbonylContact O-C 3.57Å; L523-N526 PolarHBondContact O-N 3.28Å; I524-N526 VanDerWaalsContact C-N 3.27Å; I524-N526 PolarHBondContact O-N 3.34Å; N526-Y528 HydrophobicContact CB-CD2 3.79Å; N526-Y528 HydrophobicContact CB-CE2 3.77Å; N526-Y528 PolarHBondContact O-N 3.3Å
527	N	82.5	Confident	85.4	Confident	133 Å²	133	54.9 Å²	54.9	71%	0.711	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	29.9	176.9	-55.2	-94.5	0	0	0	114.8	L523 I524 E525 T529	L523-N527 PolarHBondContact O-N 3.26Å; I524-N527 WeakPolarHBondContact O-CA 3.28Å; I524-N527 PolarHBondContact O-N 3.38Å; E525-N527 PolarHBondContact O-N 3.46Å; E525-N527 PolarHBondContact O-ND2 2.66Å; N527-T529 PolarHBondContact O-N 3.43Å
528	Y	86.2	Confident	85.2	Confident	92 Å²	92	59.7 Å²	59.7	36%	0.361	31%	0.312	S	S	.	.			trans	-73.1	122.8	173.3	-76.5	-125.3	0	0	0	110	Y478 L523 N526 Q532 I533	Y478-Y528 PolarHBondContact OH-O 3.43Å; L523-Y528 HydrophobicContact CB-CG 4.21Å; L523-Y528 HydrophobicContact CD2-CD1 3.69Å; L523-Y528 HydrophobicContact CD2-CD2 4.13Å; L523-Y528 HydrophobicContact CD2-CE1 3.72Å; L523-Y528 HydrophobicContact CD2-CE2 4.16Å; L523-Y528 HydrophobicContact CD2-CG 3.92Å; L523-Y528 WeakPolarHBondContact O-CB 3.45Å; L523-Y528 WeakPolarHBondContact O-CD2 3.46Å; L523-Y528 PolarHBondContact O-N 2.99Å; N526-Y528 HydrophobicContact CB-CD2 3.79Å; N526-Y528 HydrophobicContact CB-CE2 3.77Å; N526-Y528 PolarHBondContact O-N 3.3Å; Y528-Q532 HydrophobicContact CD1-CB 3.92Å; Y528-Q532 HydrophobicContact CG-CB 4.45Å; Y528-I533 WeakPolarHBondContact O-CD1 3.29Å; Y528-I533 WeakPolarHBondContact O-CG1 3.34Å
529	T	85.8	Confident	85	Confident	67 Å²	67	59.6 Å²	59.6	41%	0.411	31%	0.311	S	S	.	.			trans	-58.8	156.5	176.2	58.5	0	0	0	0	112.2	N527 E531 Q532 I533	N527-T529 PolarHBondContact O-N 3.43Å; T529-E531 CarbonylContact O-C 3.06Å; T529-E531 PolarHBondContact O-N 2.68Å; T529-Q532 PolarHBondContact O-N 3.4Å; T529-Q532 WeakPolarHBondContact OG1-CG 3.45Å; T529-Q532 PolarHBondContact OG1-N 3.24Å; T529-Q532 PolarHBondContact OG1-OE1 2.86Å; T529-I533 WeakPolarHBondContact O-CG1 3.3Å; T529-I533 PolarHBondContact O-N 3.48Å
530	P	84.7	Confident	85	Confident	25 Å²	25	55.9 Å²	55.9	16%	0.162	29%	0.292	C	S	.	.	H	α-helix	trans	-49.4	-36.7	175.8	-28.5	34.6	0	0	0	113.9	V474 E475 Y478 C534	V474-P530 HydrophobicContact CB-CB 4.13Å; V474-P530 HydrophobicContact CG1-CB 3.98Å; V474-P530 HydrophobicContact CG1-CG 4.17Å; E475-P530 HydrophobicContact CG-CB 4.14Å; E475-P530 HydrophobicContact CG-CG 3.77Å; Y478-P530 HydrophobicContact CD2-CG 4.08Å; Y478-P530 HydrophobicContact CE2-CG 4.18Å; P530-C534 WeakPolarHBondContact O-CB 3.43Å; P530-C534 PolarHBondContact O-N 3.43Å; P530-C534 PolarHBondContact O-SG 3.42Å
531	E	84.2	Confident	84.8	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-57	-57.7	170.9	-168.8	68.3	-117.7	0	0	112.3	K471 T529 I533 C534 Q535	K471-E531 VanDerWaalsContact CE-CD 3.47Å; K471-E531 VanDerWaalsContact CE-OE1 3.25Å; K471-E531 WeakPolarHBondContact CE-OE1 3.43Å; K471-E531 WeakPolarHBondContact CE-OE2 3.28Å; K471-E531 IonicContact NZ-OE1 2.71Å; K471-E531 PolarHBondContact NZ-OE1 2.92Å; K471-E531 IonicContact NZ-OE2 2.82Å; K471-E531 PolarHBondContact NZ-OE2 2.95Å; T529-E531 CarbonylContact O-C 3.06Å; T529-E531 PolarHBondContact O-N 2.68Å; E531-I533 VanDerWaalsContact C-N 3.33Å; E531-I533 PolarHBondContact O-N 3.36Å; E531-C534 PolarHBondContact O-N 3.47Å; E531-Q535 WeakPolarHBondContact O-CB 3.38Å; E531-Q535 VanDerWaalsContact O-CG 3.28Å; E531-Q535 WeakPolarHBondContact O-CG 3.2Å; E531-Q535 PolarHBondContact O-N 2.92Å; E531-Q535 PolarHBondContact OE1-NE2 3.47Å
532	Q	85.8	Confident	83.4	Confident	71 Å²	71	68.8 Å²	68.8	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-36.9	-178.1	-69.1	165.9	-66.6	0	0	112.3	Y528 T529 T536	Y528-Q532 HydrophobicContact CD1-CB 3.92Å; Y528-Q532 HydrophobicContact CG-CB 4.45Å; T529-Q532 PolarHBondContact O-N 3.4Å; T529-Q532 WeakPolarHBondContact OG1-CG 3.45Å; T529-Q532 PolarHBondContact OG1-N 3.24Å; T529-Q532 PolarHBondContact OG1-OE1 2.86Å; Q532-T536 VanDerWaalsContact O-CB 3.3Å; Q532-T536 WeakPolarHBondContact O-CB 3.43Å; Q532-T536 PolarHBondContact O-N 3.09Å; Q532-T536 PolarHBondContact O-OG1 2.84Å
533	I	88.3	Confident	81.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-52.2	175.9	-62.6	-163.9	0	0	0	110	V474 V520 L523 I524 Y528 T529 E531 Q535 T536 I537	V474-I533 HydrophobicContact CG1-CB 4.19Å; V474-I533 HydrophobicContact CG1-CD1 3.81Å; V474-I533 HydrophobicContact CG1-CG1 4.37Å; V474-I533 HydrophobicContact CG1-CG2 4.28Å; V474-I533 HydrophobicContact CG2-CB 4.35Å; V474-I533 HydrophobicContact CG2-CG2 3.83Å; V520-I533 HydrophobicContact CB-CG2 4.36Å; V520-I533 HydrophobicContact CG1-CG2 4.04Å; V520-I533 HydrophobicContact CG2-CG2 3.9Å; L523-I533 HydrophobicContact CB-CD1 3.64Å; L523-I533 HydrophobicContact CB-CG1 3.78Å; L523-I533 HydrophobicContact CD1-CG1 4.49Å; L523-I533 HydrophobicContact CD1-CG2 4.15Å; I524-I533 HydrophobicContact CB-CD1 4.39Å; I524-I533 HydrophobicContact CD1-CD1 4.49Å; I524-I533 HydrophobicContact CG1-CD1 3.46Å; I524-I533 VanDerWaalsContact CG1-CD1 3.46Å; Y528-I533 WeakPolarHBondContact O-CD1 3.29Å; Y528-I533 WeakPolarHBondContact O-CG1 3.34Å; T529-I533 WeakPolarHBondContact O-CG1 3.3Å; T529-I533 PolarHBondContact O-N 3.48Å; E531-I533 VanDerWaalsContact C-N 3.33Å; E531-I533 PolarHBondContact O-N 3.36Å; I533-Q535 VanDerWaalsContact C-N 3.29Å; I533-Q535 PolarHBondContact O-N 3.38Å; I533-T536 WeakPolarHBondContact O-CB 3.49Å; I533-T536 PolarHBondContact O-N 3.23Å; I533-I537 WeakPolarHBondContact O-CG1 3.06Å; I533-I537 PolarHBondContact O-N 3.24Å
534	C	88.2	Confident	79.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.6	-31	-177.9	-66.4	0	0	0	0	113.4	C470 K471 P530 E531 S538 L539 C540	C470-C534 HydrophobicContact CB-CB 3.8Å; C470-C534 WeakPolarHBondContact CB-SG 3.35Å; C470-C534 WeakPolarHBondContact SG-CA 3.37Å; C470-C534 WeakPolarHBondContact SG-CB 3.42Å; C470-C534 CovalentContact SG-SG 2.03Å; C470-C534 PolarHBondContact SG-SG 2.98Å; K471-C534 PolarHBondContact N-SG 2.67Å; K471-C534 VanDerWaalsContact N-SG 3.36Å; P530-C534 WeakPolarHBondContact O-CB 3.43Å; P530-C534 PolarHBondContact O-N 3.43Å; P530-C534 PolarHBondContact O-SG 3.42Å; E531-C534 PolarHBondContact O-N 3.47Å; C534-S538 PolarHBondContact O-N 3.46Å; C534-L539 PolarHBondContact O-N 3.17Å; C534-C540 HydrophobicContact CB-CB 4.1Å; C534-C540 WeakPolarHBondContact CB-SG 3.45Å; C534-C540 PolarHBondContact O-N 2.78Å
535	Q	88	Confident	76.6	Confident	61 Å²	61	79.4 Å²	79.4	29%	0.285	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-42.3	169	-68.9	174	10.9	0	0	111.7	E531 I533 I537 S538 C540	E531-Q535 WeakPolarHBondContact O-CB 3.38Å; E531-Q535 VanDerWaalsContact O-CG 3.28Å; E531-Q535 WeakPolarHBondContact O-CG 3.2Å; E531-Q535 PolarHBondContact O-N 2.92Å; E531-Q535 PolarHBondContact OE1-NE2 3.47Å; I533-Q535 VanDerWaalsContact C-N 3.29Å; I533-Q535 PolarHBondContact O-N 3.38Å; Q535-I537 PolarHBondContact O-N 3.15Å; Q535-S538 PolarHBondContact O-N 2.66Å; Q535-C540 HydrophobicContact CG-CB 3.72Å
536	T	85	Confident	74.2	Confident	77 Å²	77	82.9 Å²	82.9	47%	0.472	44%	0.439	S	S	.	.	H	α-helix	trans	-62.5	-42.4	178.8	-58.4	0	0	0	0	111.9	L523 Q532 I533 S538	L523-T536 HydrophobicContact CD1-CG2 3.87Å; L523-T536 HydrophobicContact CD2-CG2 4.22Å; Q532-T536 VanDerWaalsContact O-CB 3.3Å; Q532-T536 WeakPolarHBondContact O-CB 3.43Å; Q532-T536 PolarHBondContact O-N 3.09Å; Q532-T536 PolarHBondContact O-OG1 2.84Å; I533-T536 WeakPolarHBondContact O-CB 3.49Å; I533-T536 PolarHBondContact O-N 3.23Å; T536-S538 PolarHBondContact O-N 2.92Å
537	I	81.8	Confident	71.9	Confident	28 Å²	28	80.1 Å²	80.1	14%	0.144	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	13.2	175	69.1	173.1	0	0	0	113.7	Y516 V520 L523 I533 Q535 L539	Y516-I537 HydrophobicContact CD1-CB 4.41Å; Y516-I537 HydrophobicContact CD1-CG2 4.41Å; V520-I537 HydrophobicContact CG2-CD1 3.98Å; L523-I537 HydrophobicContact CD1-CG2 4.48Å; I533-I537 WeakPolarHBondContact O-CG1 3.06Å; I533-I537 PolarHBondContact O-N 3.24Å; Q535-I537 PolarHBondContact O-N 3.15Å; I537-L539 HydrophobicContact CD1-CD1 3.72Å; I537-L539 HydrophobicContact CD1-CG 4.18Å; I537-L539 HydrophobicContact CG1-CB 4.43Å; I537-L539 HydrophobicContact CG1-CD1 4.15Å; I537-L539 HydrophobicContact CG1-CG 4.04Å; I537-L539 PolarHBondContact O-N 3.15Å; I537-L539 VanDerWaalsContact O-N 3.17Å
538	S	83	Confident	69.8	Low	104 Å²	104	78.5 Å²	78.5	73%	0.727	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.2	174.7	-55.2	0	0	0	0	116	C534 Q535 T536	C534-S538 PolarHBondContact O-N 3.46Å; Q535-S538 PolarHBondContact O-N 2.66Å; T536-S538 PolarHBondContact O-N 2.92Å
539	L	83.6	Confident	67.8	Low	64 Å²	64	76 Å²	76	34%	0.335	42%	0.416	S	S	.	.	S	Bend	trans	-89.1	-20.8	172.2	-63.9	-175.5	0	0	0	112.5	V466 C467 C470 C534 I537	V466-L539 HydrophobicContact CG1-CB 4.15Å; V466-L539 HydrophobicContact CG1-CD2 3.84Å; V466-L539 HydrophobicContact CG1-CG 4.48Å; C467-L539 VanDerWaalsContact CA-O 3.29Å; C467-L539 WeakPolarHBondContact CA-O 3.17Å; C467-L539 WeakPolarHBondContact CB-O 3.04Å; C467-L539 PolarHBondContact N-O 3.3Å; C470-L539 HydrophobicContact CB-CB 3.8Å; C470-L539 HydrophobicContact CB-CD1 3.87Å; C534-L539 PolarHBondContact O-N 3.17Å; I537-L539 HydrophobicContact CD1-CD1 3.72Å; I537-L539 HydrophobicContact CD1-CG 4.18Å; I537-L539 HydrophobicContact CG1-CB 4.43Å; I537-L539 HydrophobicContact CG1-CD1 4.15Å; I537-L539 HydrophobicContact CG1-CG 4.04Å; I537-L539 PolarHBondContact O-N 3.15Å; I537-L539 VanDerWaalsContact O-N 3.17Å
540	C	84.3	Confident	65.8	Low	4 Å²	4	80.5 Å²	80.5	3%	0.027	43%	0.432	C	S	.	.	S	Bend	trans	-106.4	142.1	160.6	-69.8	0	0	0	0	110	C467 K471 C534 Q535 S542	C467-C540 WeakPolarHBondContact CA-SG 3.5Å; C467-C540 HydrophobicContact CB-CB 3.91Å; C467-C540 WeakPolarHBondContact CB-SG 3.37Å; C467-C540 VanDerWaalsContact SG-CA 3.59Å; C467-C540 WeakPolarHBondContact SG-CB 3.41Å; C467-C540 CovalentContact SG-SG 2.04Å; C467-C540 PolarHBondContact SG-SG 3.06Å; K471-C540 WeakPolarHBondContact CE-SG 3.36Å; C534-C540 HydrophobicContact CB-CB 4.1Å; C534-C540 WeakPolarHBondContact CB-SG 3.45Å; C534-C540 PolarHBondContact O-N 2.78Å; Q535-C540 HydrophobicContact CG-CB 3.72Å; C540-S542 PolarHBondContact O-N 3.42Å
541	Q	79.7	Confident	64.2	Low	185 Å²	185	86.9 Å²	86.9	86%	0.864	46%	0.459	S	S	*	.			trans	-67.4	131.4	169.3	-64.2	-177.1	4.3	0	0	109.2	M543	Q541-M543 PolarHBondContact O-N 2.97Å; Q541-M543 VanDerWaalsContact O-N 3.11Å
542	S	57.8	Low	63.2	Low	94 Å²	94	87 Å²	87	66%	0.657	46%	0.462	S	S	*	.			trans	-71.1	103.3	171.7	38.9	0	0	0	0	109.5	C540	C540-S542 PolarHBondContact O-N 3.42Å
543	M	43.6	Very low	62.3	Low	125 Å²	125	85 Å²	85	62%	0.616	46%	0.456	S	S	*	.			trans	-54.3	132.3	173.5	-85.2	-77.6	-82.5	0	0	110.2	Q541 W546	Q541-M543 PolarHBondContact O-N 2.97Å; Q541-M543 VanDerWaalsContact O-N 3.11Å; M543-W546 HydrophobicContact CE-CH2 4.49Å; M543-W546 HydrophobicContact CE-CZ2 3.83Å
544	P	38.1	Very low	61.9	Low	90 Å²	90	86 Å²	86	58%	0.584	46%	0.463	S	S	*	.			trans	-55.9	161.7	174.3	-27.8	36.3	0	0	0	113	W546	P544-W546 VanDerWaalsContact C-N 3.29Å; P544-W546 PolarHBondContact O-N 3.23Å
545	V	32.2	Very low	61.4	Low	144 Å²	144	91 Å²	91	87%	0.873	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	65.7	-161.1	-163.6	0	0	0	0	114
546	W	31.5	Very low	60.4	Low	193 Å²	193	92 Å²	92	73%	0.731	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-15	174.8	56.2	-73	0	0	0	116	M543 P544 L548	M543-W546 HydrophobicContact CE-CH2 4.49Å; M543-W546 HydrophobicContact CE-CZ2 3.83Å; P544-W546 VanDerWaalsContact C-N 3.29Å; P544-W546 PolarHBondContact O-N 3.23Å; W546-L548 PolarHBondContact O-N 3.09Å
547	S	36.5	Very low	59.7	Low	53 Å²	53	89.9 Å²	89.9	37%	0.371	49%	0.489	S	S	.	.			trans	-80	84.7	164.7	-170.6	0	0	0	0	111.4	E550	S547-E550 PolarHBondContact OG-OE2 3.32Å
548	L	37.8	Very low	59.3	Low	99 Å²	99	91.2 Å²	91.2	52%	0.518	50%	0.501	S	S	.	.			trans	-104.9	-19.6	165.8	-85.4	165.8	0	0	0	112.5	W546 N552 L555	W546-L548 PolarHBondContact O-N 3.09Å; L548-N552 PolarHBondContact O-N 2.96Å; L548-L555 HydrophobicContact CB-CD1 3.91Å
549	S	44.5	Very low	58.6	Low	40 Å²	40	91.9 Å²	91.9	28%	0.28	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.9	-175.7	52.7	0	0	0	0	114	N552 P553	S549-N552 CarbonylContact O-C 3.6Å; S549-N552 VanDerWaalsContact O-C 3.26Å; S549-P553 WeakPolarHBondContact O-CA 3.48Å
550	E	43.5	Very low	58.2	Low	161 Å²	161	90.9 Å²	90.9	75%	0.752	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-30.8	-179.3	-63.9	179.4	116.5	0	0	112.6	S547	S547-E550 PolarHBondContact OG-OE2 3.32Å
551	Q	51.6	Low	58	Low	158 Å²	158	94 Å²	94	74%	0.738	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-24.4	178.3	-63	-175.2	15.5	0	0	113
552	N	63.6	Low	58.1	Low	75 Å²	75	86 Å²	86	40%	0.401	47%	0.468	S	S	.	.			trans	-143.7	97.5	168.4	-173.2	-6	0	0	0	110.3	L548 S549 C554 L555	L548-N552 PolarHBondContact O-N 2.96Å; S549-N552 CarbonylContact O-C 3.6Å; S549-N552 VanDerWaalsContact O-C 3.26Å; N552-C554 PolarHBondContact O-N 3.11Å; N552-C554 VanDerWaalsContact OD1-CB 3.25Å; N552-C554 WeakPolarHBondContact OD1-CB 3.27Å; N552-C554 PolarHBondContact OD1-N 2.88Å; N552-C554 PolarHBondContact OD1-SG 2.85Å; N552-C554 VanDerWaalsContact OD1-SG 3.35Å; N552-L555 HydrophobicContact CB-CD1 4.22Å; N552-L555 HydrophobicContact CB-CG 4.32Å; N552-L555 WeakPolarHBondContact O-CB 3.43Å; N552-L555 WeakPolarHBondContact O-CG 3.37Å; N552-L555 PolarHBondContact O-N 2.73Å
553	P	65.8	Low	59	Low	31 Å²	31	87.6 Å²	87.6	20%	0.201	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-69.5	-11	-172.1	31.4	-38.1	0	0	0	113.2	S549 L555 L556 Y560 M570	S549-P553 WeakPolarHBondContact O-CA 3.48Å; P553-L555 PolarHBondContact O-N 3.39Å; P553-L555 VanDerWaalsContact O-N 3.15Å; P553-L556 HydrophobicContact CB-CD1 4.04Å; P553-L556 VanDerWaalsContact O-CB 3.26Å; P553-L556 WeakPolarHBondContact O-CB 3.4Å; P553-L556 WeakPolarHBondContact O-CD1 3.33Å; P553-L556 WeakPolarHBondContact O-CG 3.44Å; P553-L556 PolarHBondContact O-N 3.49Å; P553-L556 VanDerWaalsContact O-N 3.07Å; P553-Y560 HydrophobicContact CB-CE1 3.81Å; P553-Y560 HydrophobicContact CB-CE2 4.07Å; P553-Y560 WeakPolarHBondContact CB-OH 3.28Å; P553-Y560 HydrophobicContact CG-CE1 4.07Å; P553-Y560 WeakPolarHBondContact CG-OH 3.4Å; P553-Y560 WeakPolarHBondContact O-CD1 3.19Å; P553-Y560 WeakPolarHBondContact O-CE1 3.07Å; P553-M570 HydrophobicContact CG-CE 4.16Å
554	C	80.5	Confident	60.3	Low	20 Å²	20	82.7 Å²	82.7	14%	0.135	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-60.3	-18.3	168	-55.6	0	0	0	0	113.5	N552 L556 C571	N552-C554 PolarHBondContact O-N 3.11Å; N552-C554 VanDerWaalsContact OD1-CB 3.25Å; N552-C554 WeakPolarHBondContact OD1-CB 3.27Å; N552-C554 PolarHBondContact OD1-N 2.88Å; N552-C554 PolarHBondContact OD1-SG 2.85Å; N552-C554 VanDerWaalsContact OD1-SG 3.35Å; C554-L556 VanDerWaalsContact C-N 3.27Å; C554-L556 PolarHBondContact O-N 3.26Å; C554-C571 WeakPolarHBondContact CA-SG 3.34Å; C554-C571 HydrophobicContact CB-CB 3.56Å; C554-C571 WeakPolarHBondContact CB-SG 3.06Å; C554-C571 WeakPolarHBondContact SG-CA 3.41Å; C554-C571 WeakPolarHBondContact SG-CB 3.48Å; C554-C571 CovalentContact SG-SG 2.03Å; C554-C571 PolarHBondContact SG-SG 3.11Å
555	L	77.1	Confident	62.1	Low	104 Å²	104	84.9 Å²	84.9	55%	0.545	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-77.5	-6	175.1	-60.5	177.8	0	0	0	113.7	L548 N552 P553 G557	L548-L555 HydrophobicContact CB-CD1 3.91Å; N552-L555 HydrophobicContact CB-CD1 4.22Å; N552-L555 HydrophobicContact CB-CG 4.32Å; N552-L555 WeakPolarHBondContact O-CB 3.43Å; N552-L555 WeakPolarHBondContact O-CG 3.37Å; N552-L555 PolarHBondContact O-N 2.73Å; P553-L555 PolarHBondContact O-N 3.39Å; P553-L555 VanDerWaalsContact O-N 3.15Å; L555-G557 PolarHBondContact O-N 3.24Å
556	L	66.9	Low	63.8	Low	84 Å²	84	82.1 Å²	82.1	44%	0.44	42%	0.421	S	S	.	.	S	Bend	trans	-70.9	18.5	176.2	-69.1	167.7	0	0	0	114.8	P553 C554 T559 Y560	P553-L556 HydrophobicContact CB-CD1 4.04Å; P553-L556 VanDerWaalsContact O-CB 3.26Å; P553-L556 WeakPolarHBondContact O-CB 3.4Å; P553-L556 WeakPolarHBondContact O-CD1 3.33Å; P553-L556 WeakPolarHBondContact O-CG 3.44Å; P553-L556 PolarHBondContact O-N 3.49Å; P553-L556 VanDerWaalsContact O-N 3.07Å; C554-L556 VanDerWaalsContact C-N 3.27Å; C554-L556 PolarHBondContact O-N 3.26Å; L556-T559 PolarHBondContact O-OG1 3.07Å; L556-Y560 HydrophobicContact CB-CD2 4.32Å; L556-Y560 HydrophobicContact CB-CG 4Å; L556-Y560 HydrophobicContact CD1-CD2 3.62Å; L556-Y560 HydrophobicContact CD1-CE2 3.99Å; L556-Y560 HydrophobicContact CD1-CG 4.07Å
557	G	70.4	Confident	66	Low	32 Å²	32	73.4 Å²	73.4	33%	0.33	39%	0.389	S	S	.	.			trans	74.1	168.4	179.6	0	0	0	0	0	114.3	L555 T559 Y560 W561	L555-G557 PolarHBondContact O-N 3.24Å; G557-T559 PolarHBondContact O-N 3.35Å; G557-Y560 PolarHBondContact O-N 2.68Å; G557-W561 PolarHBondContact O-N 2.87Å; G557-W561 PolarHBondContact O-NE1 2.85Å
558	S	73.6	Confident	68.2	Low	55 Å²	55	71 Å²	71	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-21.9	-170.5	49.2	0	0	0	0	114.1	Y560 C562	S558-Y560 VanDerWaalsContact C-N 3.27Å; S558-Y560 PolarHBondContact O-N 3.42Å; S558-C562 WeakPolarHBondContact O-CA 3.37Å; S558-C562 WeakPolarHBondContact O-CB 3.46Å; S558-C562 PolarHBondContact O-N 2.96Å
559	T	67.5	Low	70.3	Confident	118 Å²	118	73 Å²	73	72%	0.724	38%	0.377	S	S	*	.	H	α-helix	trans	-56.3	-37	168.7	46.6	0	0	0	0	112.9	L556 G557	L556-T559 PolarHBondContact O-OG1 3.07Å; G557-T559 PolarHBondContact O-N 3.35Å
560	Y	75.7	Confident	72.1	Confident	44 Å²	44	77.2 Å²	77.2	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-82.8	-58.8	174.5	-175.8	-87.8	0	0	0	111.8	P553 L556 G557 S558 C562 R563 T567	P553-Y560 HydrophobicContact CB-CE1 3.81Å; P553-Y560 HydrophobicContact CB-CE2 4.07Å; P553-Y560 WeakPolarHBondContact CB-OH 3.28Å; P553-Y560 HydrophobicContact CG-CE1 4.07Å; P553-Y560 WeakPolarHBondContact CG-OH 3.4Å; P553-Y560 WeakPolarHBondContact O-CD1 3.19Å; P553-Y560 WeakPolarHBondContact O-CE1 3.07Å; L556-Y560 HydrophobicContact CB-CD2 4.32Å; L556-Y560 HydrophobicContact CB-CG 4Å; L556-Y560 HydrophobicContact CD1-CD2 3.62Å; L556-Y560 HydrophobicContact CD1-CE2 3.99Å; L556-Y560 HydrophobicContact CD1-CG 4.07Å; G557-Y560 PolarHBondContact O-N 2.68Å; S558-Y560 VanDerWaalsContact C-N 3.27Å; S558-Y560 PolarHBondContact O-N 3.42Å; Y560-C562 PolarHBondContact O-N 3.05Å; Y560-C562 VanDerWaalsContact O-N 3.13Å; Y560-R563 VanDerWaalsContact O-CB 3.26Å; Y560-R563 WeakPolarHBondContact O-CB 3.35Å; Y560-R563 PolarHBondContact O-N 3.17Å; Y560-T567 HydrophobicContact CD1-CG2 3.47Å; Y560-T567 VanDerWaalsContact CD1-CG2 3.47Å; Y560-T567 HydrophobicContact CE1-CG2 3.14Å; Y560-T567 HydrophobicContact CE2-CG2 4.49Å; Y560-T567 HydrophobicContact CG-CG2 4.27Å; Y560-T567 VanDerWaalsContact O-CG2 3.31Å; Y560-T567 WeakPolarHBondContact O-CG2 3.41Å
561	W	81.3	Confident	74.3	Confident	68 Å²	68	70.4 Å²	70.4	26%	0.258	36%	0.364	S	S	.	.	H	α-helix	trans	-70.4	-10.8	-173.4	53	-67.2	0	0	0	113.8	G557 A568 C571 A573 Y576 C577	G557-W561 PolarHBondContact O-N 2.87Å; G557-W561 PolarHBondContact O-NE1 2.85Å; W561-A568 WeakPolarHBondContact O-CA 3.39Å; W561-A568 VanDerWaalsContact O-CB 3.24Å; W561-A568 WeakPolarHBondContact O-CB 3.13Å; W561-A568 PolarHBondContact O-N 3.29Å; W561-C571 HydrophobicContact CB-CB 3.42Å; W561-C571 VanDerWaalsContact CB-CB 3.42Å; W561-C571 HydrophobicContact CG-CB 4.33Å; W561-A573 HydrophobicContact CB-CB 4.01Å; W561-A573 HydrophobicContact CD2-CB 4.01Å; W561-A573 HydrophobicContact CE3-CB 3.23Å; W561-A573 HydrophobicContact CG-CB 4.37Å; W561-A573 HydrophobicContact CZ3-CB 3.98Å; W561-A573 WeakPolarHBondContact O-CB 3.39Å; W561-Y576 AromaticContact CH2-CD1 3.79Å; W561-Y576 HydrophobicContact CH2-CD1 3.79Å; W561-Y576 HydrophobicContact CH2-CD2 4.34Å; W561-Y576 HydrophobicContact CH2-CE1 4.18Å; W561-Y576 AromaticContact CH2-CG 3.9Å; W561-Y576 HydrophobicContact CH2-CG 3.9Å; W561-Y576 HydrophobicContact CZ2-CD1 4.29Å; W561-Y576 HydrophobicContact CZ2-CE1 4.29Å; W561-Y576 HydrophobicContact CZ3-CD1 4.14Å; W561-Y576 HydrophobicContact CZ3-CG 4.2Å; W561-C577 PolarHBondContact O-SG 3.15Å
562	C	80.3	Confident	76	Confident	18 Å²	18	70.3 Å²	70.3	12%	0.122	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	10.5	167.1	-55.4	0	0	0	0	115.1	S558 Y560 D564 C577 W582	S558-C562 WeakPolarHBondContact O-CA 3.37Å; S558-C562 WeakPolarHBondContact O-CB 3.46Å; S558-C562 PolarHBondContact O-N 2.96Å; Y560-C562 PolarHBondContact O-N 3.05Å; Y560-C562 VanDerWaalsContact O-N 3.13Å; C562-D564 PolarHBondContact O-N 3.08Å; C562-C577 WeakPolarHBondContact CA-SG 3.49Å; C562-C577 HydrophobicContact CB-CB 3.78Å; C562-C577 WeakPolarHBondContact CB-SG 3.39Å; C562-C577 WeakPolarHBondContact SG-CA 3.22Å; C562-C577 WeakPolarHBondContact SG-CB 3.48Å; C562-C577 CovalentContact SG-SG 2.04Å; C562-C577 PolarHBondContact SG-SG 3.01Å; C562-W582 WeakPolarHBondContact O-CZ2 3.17Å; C562-W582 PolarHBondContact O-NE1 2.7Å
563	R	76.9	Confident	77.1	Confident	128 Å²	128	66.8 Å²	66.8	48%	0.483	35%	0.35	S	S	.	.	S	Bend	trans	-60.3	-42	179.2	-179.5	-177.3	62.4	-153.9	-11.2	114	Y560 T567 Q590	Y560-R563 VanDerWaalsContact O-CB 3.26Å; Y560-R563 WeakPolarHBondContact O-CB 3.35Å; Y560-R563 PolarHBondContact O-N 3.17Å; R563-T567 PolarHBondContact NH2-OG1 3.09Å; R563-Q590 PolarHBondContact O-NE2 3.07Å
564	D	70.5	Confident	77.7	Confident	21 Å²	21	67 Å²	67	11%	0.112	35%	0.35	C	S	.	.	S	Bend	trans	-156.1	157.6	-176.2	64.2	86.3	0	0	0	110.3	C562 S566 T567 A568	C562-D564 PolarHBondContact O-N 3.08Å; D564-S566 VanDerWaalsContact C-N 3.26Å; D564-S566 PolarHBondContact O-N 3.31Å; D564-S566 WeakPolarHBondContact OD1-CA 3.28Å; D564-S566 VanDerWaalsContact OD1-CB 3.27Å; D564-S566 WeakPolarHBondContact OD1-CB 3.06Å; D564-S566 PolarHBondContact OD1-N 3.3Å; D564-S566 VanDerWaalsContact OD1-N 3.14Å; D564-S566 PolarHBondContact OD1-OG 3.25Å; D564-T567 PolarHBondContact O-N 3.48Å; D564-T567 PolarHBondContact OD1-N 2.79Å; D564-T567 PolarHBondContact OD1-OG1 2.93Å; D564-T567 VanDerWaalsContact OD1-OG1 3.06Å; D564-T567 WeakPolarHBondContact OD2-CB 3.28Å; D564-T567 PolarHBondContact OD2-OG1 3.36Å; D564-A568 WeakPolarHBondContact O-CB 3.07Å; D564-A568 PolarHBondContact O-N 3.36Å
565	Y	77	Confident	77.8	Confident	136 Å²	136	72.7 Å²	72.7	53%	0.533	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-31.6	-176.1	174.9	-102.8	0	0	0	113.6	K569 V574	Y565-K569 VanDerWaalsContact O-CB 3.26Å; Y565-K569 WeakPolarHBondContact O-CB 3.27Å; Y565-K569 PolarHBondContact O-N 2.89Å; Y565-V574 HydrophobicContact CD2-CG1 4.48Å; Y565-V574 HydrophobicContact CE2-CG1 4.07Å; Y565-V574 HydrophobicContact CE2-CG2 4.42Å
566	S	68.1	Low	78.1	Confident	86 Å²	86	72.5 Å²	72.5	60%	0.601	37%	0.372	S	S	*	.	H	α-helix	trans	-66.8	-48.6	176.3	11	0	0	0	0	111.4	D564 K569 M570	D564-S566 VanDerWaalsContact C-N 3.26Å; D564-S566 PolarHBondContact O-N 3.31Å; D564-S566 WeakPolarHBondContact OD1-CA 3.28Å; D564-S566 VanDerWaalsContact OD1-CB 3.27Å; D564-S566 WeakPolarHBondContact OD1-CB 3.06Å; D564-S566 PolarHBondContact OD1-N 3.3Å; D564-S566 VanDerWaalsContact OD1-N 3.14Å; D564-S566 PolarHBondContact OD1-OG 3.25Å; S566-K569 PolarHBondContact O-N 2.68Å; S566-M570 WeakPolarHBondContact O-CB 3.4Å; S566-M570 PolarHBondContact O-N 2.88Å
567	T	76.6	Confident	78.9	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-40.2	175.2	-51.8	0	0	0	0	110.8	Y560 R563 D564 K569 M570 C571	Y560-T567 HydrophobicContact CD1-CG2 3.47Å; Y560-T567 VanDerWaalsContact CD1-CG2 3.47Å; Y560-T567 HydrophobicContact CE1-CG2 3.14Å; Y560-T567 HydrophobicContact CE2-CG2 4.49Å; Y560-T567 HydrophobicContact CG-CG2 4.27Å; Y560-T567 VanDerWaalsContact O-CG2 3.31Å; Y560-T567 WeakPolarHBondContact O-CG2 3.41Å; R563-T567 PolarHBondContact NH2-OG1 3.09Å; D564-T567 PolarHBondContact O-N 3.48Å; D564-T567 PolarHBondContact OD1-N 2.79Å; D564-T567 PolarHBondContact OD1-OG1 2.93Å; D564-T567 VanDerWaalsContact OD1-OG1 3.06Å; D564-T567 WeakPolarHBondContact OD2-CB 3.28Å; D564-T567 PolarHBondContact OD2-OG1 3.36Å; T567-K569 VanDerWaalsContact C-N 3.32Å; T567-K569 PolarHBondContact O-N 3.3Å; T567-M570 PolarHBondContact O-N 3.32Å; T567-C571 WeakPolarHBondContact O-CB 3.38Å; T567-C571 PolarHBondContact O-N 2.66Å; T567-C571 PolarHBondContact O-SG 3.03Å
568	A	83.5	Confident	79.3	Confident	3 Å²	3	71.2 Å²	71.2	3%	0.025	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-37.8	173.8	0	0	0	0	0	112.9	W561 D564 N572 A573 V574 C577	W561-A568 WeakPolarHBondContact O-CA 3.39Å; W561-A568 VanDerWaalsContact O-CB 3.24Å; W561-A568 WeakPolarHBondContact O-CB 3.13Å; W561-A568 PolarHBondContact O-N 3.29Å; D564-A568 WeakPolarHBondContact O-CB 3.07Å; D564-A568 PolarHBondContact O-N 3.36Å; A568-N572 PolarHBondContact O-N 3.45Å; A568-A573 HydrophobicContact CB-CB 4.01Å; A568-A573 WeakPolarHBondContact O-CA 3.28Å; A568-A573 VanDerWaalsContact O-CB 3.24Å; A568-A573 WeakPolarHBondContact O-CB 3.47Å; A568-A573 PolarHBondContact O-N 3.16Å; A568-V574 HydrophobicContact CB-CG2 4.29Å; A568-C577 HydrophobicContact CB-CB 4.49Å
569	K	80.7	Confident	79.4	Confident	142 Å²	142	73 Å²	73	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-72.3	-40.2	175.3	-173.3	177.7	177.1	-175.3	0	112.3	Y565 S566 T567 C571 N572 V574	Y565-K569 VanDerWaalsContact O-CB 3.26Å; Y565-K569 WeakPolarHBondContact O-CB 3.27Å; Y565-K569 PolarHBondContact O-N 2.89Å; S566-K569 PolarHBondContact O-N 2.68Å; T567-K569 VanDerWaalsContact C-N 3.32Å; T567-K569 PolarHBondContact O-N 3.3Å; K569-C571 VanDerWaalsContact C-N 3.3Å; K569-C571 PolarHBondContact O-N 2.82Å; K569-N572 PolarHBondContact O-N 3.07Å; K569-V574 HydrophobicContact CB-CG2 4.17Å
570	M	83.4	Confident	79.5	Confident	127 Å²	127	72 Å²	72	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-59.4	-42.1	174.9	176.3	176.5	170.6	0	0	111.6	P553 S566 T567 N572	P553-M570 HydrophobicContact CG-CE 4.16Å; S566-M570 WeakPolarHBondContact O-CB 3.4Å; S566-M570 PolarHBondContact O-N 2.88Å; T567-M570 PolarHBondContact O-N 3.32Å; M570-N572 VanDerWaalsContact C-N 3.32Å; M570-N572 PolarHBondContact O-N 2.95Å
571	C	88.6	Confident	78.5	Confident	19 Å²	19	71.9 Å²	71.9	13%	0.128	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.5	-177.5	-60.6	0	0	0	0	114.5	C554 W561 T567 K569 A573	C554-C571 WeakPolarHBondContact CA-SG 3.34Å; C554-C571 HydrophobicContact CB-CB 3.56Å; C554-C571 WeakPolarHBondContact CB-SG 3.06Å; C554-C571 WeakPolarHBondContact SG-CA 3.41Å; C554-C571 WeakPolarHBondContact SG-CB 3.48Å; C554-C571 CovalentContact SG-SG 2.03Å; C554-C571 PolarHBondContact SG-SG 3.11Å; W561-C571 HydrophobicContact CB-CB 3.42Å; W561-C571 VanDerWaalsContact CB-CB 3.42Å; W561-C571 HydrophobicContact CG-CB 4.33Å; T567-C571 WeakPolarHBondContact O-CB 3.38Å; T567-C571 PolarHBondContact O-N 2.66Å; T567-C571 PolarHBondContact O-SG 3.03Å; K569-C571 VanDerWaalsContact C-N 3.3Å; K569-C571 PolarHBondContact O-N 2.82Å; C571-A573 HydrophobicContact CB-CB 4.3Å; C571-A573 PolarHBondContact O-N 3.31Å
572	N	87.7	Confident	77.7	Confident	156 Å²	156	72 Å²	72	83%	0.834	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	28.1	-175	-155.2	24.4	0	0	0	114.1	A568 K569 M570	A568-N572 PolarHBondContact O-N 3.45Å; K569-N572 PolarHBondContact O-N 3.07Å; M570-N572 VanDerWaalsContact C-N 3.32Å; M570-N572 PolarHBondContact O-N 2.95Å
573	A	86.1	Confident	76.4	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.008	41%	0.409	C	S	.	.			trans	-84.9	-17.8	-169.5	0	0	0	0	0	114.2	W561 A568 C571 N575 Y576 C577	W561-A573 HydrophobicContact CB-CB 4.01Å; W561-A573 HydrophobicContact CD2-CB 4.01Å; W561-A573 HydrophobicContact CE3-CB 3.23Å; W561-A573 HydrophobicContact CG-CB 4.37Å; W561-A573 HydrophobicContact CZ3-CB 3.98Å; W561-A573 WeakPolarHBondContact O-CB 3.39Å; A568-A573 HydrophobicContact CB-CB 4.01Å; A568-A573 WeakPolarHBondContact O-CA 3.28Å; A568-A573 VanDerWaalsContact O-CB 3.24Å; A568-A573 WeakPolarHBondContact O-CB 3.47Å; A568-A573 PolarHBondContact O-N 3.16Å; C571-A573 HydrophobicContact CB-CB 4.3Å; C571-A573 PolarHBondContact O-N 3.31Å; A573-N575 VanDerWaalsContact C-N 3.3Å; A573-N575 PolarHBondContact O-N 3.11Å; A573-N575 VanDerWaalsContact O-N 3.07Å; A573-Y576 WeakPolarHBondContact O-CA 3.41Å; A573-Y576 WeakPolarHBondContact O-CB 3.23Å; A573-Y576 PolarHBondContact O-N 2.62Å; A573-C577 WeakPolarHBondContact CB-SG 3.49Å; A573-C577 PolarHBondContact O-N 2.7Å
574	V	79.8	Confident	74.7	Confident	36 Å²	36	75.8 Å²	75.8	22%	0.218	42%	0.417	C	S	.	.	H	α-helix	trans	-49.5	-48	-157.4	-175.1	0	0	0	0	112.4	Y565 A568 K569 Y576 C577 S578	Y565-V574 HydrophobicContact CD2-CG1 4.48Å; Y565-V574 HydrophobicContact CE2-CG1 4.07Å; Y565-V574 HydrophobicContact CE2-CG2 4.42Å; A568-V574 HydrophobicContact CB-CG2 4.29Å; K569-V574 HydrophobicContact CB-CG2 4.17Å; V574-Y576 PolarHBondContact O-N 3.34Å; V574-C577 PolarHBondContact O-N 3.07Å; V574-S578 VanDerWaalsContact O-CB 3.31Å; V574-S578 WeakPolarHBondContact O-CB 3.33Å; V574-S578 PolarHBondContact O-N 3.29Å; V574-S578 PolarHBondContact O-OG 3.27Å; V574-S578 VanDerWaalsContact O-OG 3.11Å
575	N	81.7	Confident	73.2	Confident	138 Å²	138	82.1 Å²	82.1	74%	0.738	44%	0.44	S	S	*	.	H	α-helix	trans	-65.4	-38.9	-179.9	-65.9	-3.8	0	0	0	113.4	A573 S579	A573-N575 VanDerWaalsContact C-N 3.3Å; A573-N575 PolarHBondContact O-N 3.11Å; A573-N575 VanDerWaalsContact O-N 3.07Å; N575-S579 WeakPolarHBondContact O-CB 3.28Å; N575-S579 PolarHBondContact O-N 3.15Å; N575-S579 PolarHBondContact O-OG 2.97Å
576	Y	83.8	Confident	71.5	Confident	101 Å²	101	79.2 Å²	79.2	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-48.5	173.5	176.6	-88.3	0	0	0	110.6	W561 A573 V574 S578 S579 N580	W561-Y576 AromaticContact CH2-CD1 3.79Å; W561-Y576 HydrophobicContact CH2-CD1 3.79Å; W561-Y576 HydrophobicContact CH2-CD2 4.34Å; W561-Y576 HydrophobicContact CH2-CE1 4.18Å; W561-Y576 AromaticContact CH2-CG 3.9Å; W561-Y576 HydrophobicContact CH2-CG 3.9Å; W561-Y576 HydrophobicContact CZ2-CD1 4.29Å; W561-Y576 HydrophobicContact CZ2-CE1 4.29Å; W561-Y576 HydrophobicContact CZ3-CD1 4.14Å; W561-Y576 HydrophobicContact CZ3-CG 4.2Å; A573-Y576 WeakPolarHBondContact O-CA 3.41Å; A573-Y576 WeakPolarHBondContact O-CB 3.23Å; A573-Y576 PolarHBondContact O-N 2.62Å; V574-Y576 PolarHBondContact O-N 3.34Å; Y576-S578 PolarHBondContact O-N 2.95Å; Y576-S579 PolarHBondContact O-N 3Å; Y576-S579 VanDerWaalsContact O-N 3.16Å; Y576-N580 WeakPolarHBondContact CD2-ND2 3.19Å; Y576-N580 HydrophobicContact CE1-CB 4.27Å; Y576-N580 HydrophobicContact CE2-CB 4.24Å; Y576-N580 WeakPolarHBondContact CE2-ND2 3.2Å; Y576-N580 WeakPolarHBondContact O-CB 3.45Å; Y576-N580 PolarHBondContact O-N 3.24Å
577	C	84.3	Confident	70.4	Confident	3 Å²	3	78.5 Å²	78.5	2%	0.02	43%	0.432	C	S	.	.	H	α-helix	trans	-63.8	-44.3	-178.6	-64.6	0	0	0	0	112.3	W561 C562 A568 A573 V574 S579 G581 W582	W561-C577 PolarHBondContact O-SG 3.15Å; C562-C577 WeakPolarHBondContact CA-SG 3.49Å; C562-C577 HydrophobicContact CB-CB 3.78Å; C562-C577 WeakPolarHBondContact CB-SG 3.39Å; C562-C577 WeakPolarHBondContact SG-CA 3.22Å; C562-C577 WeakPolarHBondContact SG-CB 3.48Å; C562-C577 CovalentContact SG-SG 2.04Å; C562-C577 PolarHBondContact SG-SG 3.01Å; A568-C577 HydrophobicContact CB-CB 4.49Å; A573-C577 WeakPolarHBondContact CB-SG 3.49Å; A573-C577 PolarHBondContact O-N 2.7Å; V574-C577 PolarHBondContact O-N 3.07Å; C577-S579 PolarHBondContact O-N 3.23Å; C577-G581 WeakPolarHBondContact O-CA 3.31Å; C577-G581 PolarHBondContact O-N 2.79Å; C577-W582 WeakPolarHBondContact O-CB 3.28Å; C577-W582 PolarHBondContact O-N 2.88Å
578	S	78.5	Confident	68.8	Low	86 Å²	86	81.8 Å²	81.8	60%	0.601	46%	0.455	S	S	*	.	H	α-helix	trans	-65.4	-21.5	175.1	-66.4	0	0	0	0	114.1	V574 Y576	V574-S578 VanDerWaalsContact O-CB 3.31Å; V574-S578 WeakPolarHBondContact O-CB 3.33Å; V574-S578 PolarHBondContact O-N 3.29Å; V574-S578 PolarHBondContact O-OG 3.27Å; V574-S578 VanDerWaalsContact O-OG 3.11Å; Y576-S578 PolarHBondContact O-N 2.95Å
579	S	75.6	Confident	67	Low	91 Å²	91	83.9 Å²	83.9	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-95.3	-36.6	178.7	-52.7	0	0	0	0	113.3	N575 Y576 C577	N575-S579 WeakPolarHBondContact O-CB 3.28Å; N575-S579 PolarHBondContact O-N 3.15Å; N575-S579 PolarHBondContact O-OG 2.97Å; Y576-S579 PolarHBondContact O-N 3Å; Y576-S579 VanDerWaalsContact O-N 3.16Å; C577-S579 PolarHBondContact O-N 3.23Å
580	N	69.3	Low	65.4	Low	99 Å²	99	81.6 Å²	81.6	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-123.7	-17	-163.9	-59	-34.6	0	0	0	114.9	Y576	Y576-N580 WeakPolarHBondContact CD2-ND2 3.19Å; Y576-N580 HydrophobicContact CE1-CB 4.27Å; Y576-N580 HydrophobicContact CE2-CB 4.24Å; Y576-N580 WeakPolarHBondContact CE2-ND2 3.2Å; Y576-N580 WeakPolarHBondContact O-CB 3.45Å; Y576-N580 PolarHBondContact O-N 3.24Å
581	G	55.2	Low	63.9	Low	41 Å²	41	80 Å²	80	42%	0.423	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-33.7	-173.1	0	0	0	0	0	115.3	C577 T583	C577-G581 WeakPolarHBondContact O-CA 3.31Å; C577-G581 PolarHBondContact O-N 2.79Å; G581-T583 VanDerWaalsContact C-N 3.33Å; G581-T583 PolarHBondContact O-N 2.99Å
582	W	63.8	Low	62.3	Low	70 Å²	70	83.9 Å²	83.9	27%	0.265	47%	0.466	S	S	.	.			trans	-94.1	57	-172.8	-75.2	58.8	0	0	0	111.6	C562 C577 T584 Y585 P587	C562-W582 WeakPolarHBondContact O-CZ2 3.17Å; C562-W582 PolarHBondContact O-NE1 2.7Å; C577-W582 WeakPolarHBondContact O-CB 3.28Å; C577-W582 PolarHBondContact O-N 2.88Å; W582-T584 VanDerWaalsContact C-N 3.33Å; W582-T584 PolarHBondContact O-N 3.33Å; W582-Y585 VanDerWaalsContact CZ3-O 3.26Å; W582-Y585 WeakPolarHBondContact CZ3-O 3.49Å; W582-P587 HydrophobicContact CZ3-CG 4.07Å
583	T	54.3	Low	60.5	Low	119 Å²	119	81.5 Å²	81.5	73%	0.73	45%	0.453	S	S	*	.	S	Bend	trans	-70.4	-20.7	-168.8	53.9	0	0	0	0	115	G581	G581-T583 VanDerWaalsContact C-N 3.33Å; G581-T583 PolarHBondContact O-N 2.99Å
584	T	41.3	Very low	59.8	Low	106 Å²	106	83.9 Å²	83.9	65%	0.65	46%	0.463	S	S	*	.	S	Bend	trans	-146.1	-15.2	-175	41.7	0	0	0	0	118.4	W582	W582-T584 VanDerWaalsContact C-N 3.33Å; W582-T584 PolarHBondContact O-N 3.33Å
585	Y	37.4	Very low	59.3	Low	155 Å²	155	88.2 Å²	88.2	61%	0.608	48%	0.479	S	S	*	.			trans	-126.7	109.6	-167.2	-83.1	-89.7	0	0	0	116	W582 N589	W582-Y585 VanDerWaalsContact CZ3-O 3.26Å; W582-Y585 WeakPolarHBondContact CZ3-O 3.49Å; Y585-N589 HydrophobicContact CD1-CB 3.84Å; Y585-N589 HydrophobicContact CE1-CB 4.32Å
586	P	42.5	Very low	58.8	Low	75 Å²	75	83.7 Å²	83.7	49%	0.487	46%	0.458	S	S	.	.			trans	-68.7	157.2	169.5	-21.1	34	0	0	0	113.7	S588 N589	P586-S588 PolarHBondContact O-N 3.02Å; P586-N589 PolarHBondContact O-N 3.13Å
587	P	43.4	Very low	58.5	Low	71 Å²	71	83.3 Å²	83.3	46%	0.461	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-57.5	-20.9	-176.8	-27.6	35.7	0	0	0	116.3	W582 N589 Q590	W582-P587 HydrophobicContact CZ3-CG 4.07Å; P587-N589 PolarHBondContact O-N 3.4Å; P587-Q590 PolarHBondContact O-N 3.25Å
588	S	44	Very low	58.4	Low	78 Å²	78	83.7 Å²	83.7	55%	0.545	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.5	178.2	48.3	0	0	0	0	113.7	P586	P586-S588 PolarHBondContact O-N 3.02Å
589	N	45.7	Very low	58.5	Low	48 Å²	48	85.5 Å²	85.5	26%	0.257	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-84.4	-13.3	-177.5	-87.7	-28.8	0	0	0	114.8	Y585 P586 P587 N591 K592 L593	Y585-N589 HydrophobicContact CD1-CB 3.84Å; Y585-N589 HydrophobicContact CE1-CB 4.32Å; P586-N589 PolarHBondContact O-N 3.13Å; P587-N589 PolarHBondContact O-N 3.4Å; N589-N591 VanDerWaalsContact C-N 3.32Å; N589-N591 PolarHBondContact O-N 2.89Å; N589-K592 WeakPolarHBondContact O-CA 2.72Å; N589-K592 WeakPolarHBondContact O-CB 3.31Å; N589-K592 PolarHBondContact O-N 3.24Å; N589-L593 PolarHBondContact O-N 3.22Å
590	Q	46.6	Very low	58.6	Low	93 Å²	93	88.2 Å²	88.2	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-40.1	179	-76.1	-173.3	-20.2	0	0	112.1	R563 P587 K592 L593 F594	R563-Q590 PolarHBondContact O-NE2 3.07Å; P587-Q590 PolarHBondContact O-N 3.25Å; Q590-K592 PolarHBondContact O-N 3.07Å; Q590-L593 PolarHBondContact O-N 2.83Å; Q590-F594 VanDerWaalsContact O-CB 3.32Å; Q590-F594 WeakPolarHBondContact O-CB 3.14Å; Q590-F594 PolarHBondContact O-N 3.2Å
591	N	52.9	Low	59.2	Low	94 Å²	94	86.5 Å²	86.5	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-27.2	173.9	-69.8	-62.4	0	0	0	113	N589 K595 L827	N589-N591 VanDerWaalsContact C-N 3.32Å; N589-N591 PolarHBondContact O-N 2.89Å; N591-K595 VanDerWaalsContact O-CB 3.29Å; N591-K595 WeakPolarHBondContact O-CB 3.32Å; N591-K595 PolarHBondContact O-N 3.05Å; N591-L827 HydrophobicContact CB-CD1 4.16Å; N591-L827 WeakPolarHBondContact ND2-CD1 3.46Å
592	K	53.6	Low	60.6	Low	100 Å²	100	91.2 Å²	91.2	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-77.7	-42.6	178.9	-162.1	177	-178.6	-175.1	0	111.2	N589 Q590 K595 S596	N589-K592 WeakPolarHBondContact O-CA 2.72Å; N589-K592 WeakPolarHBondContact O-CB 3.31Å; N589-K592 PolarHBondContact O-N 3.24Å; Q590-K592 PolarHBondContact O-N 3.07Å; K592-K595 PolarHBondContact O-N 2.84Å; K592-S596 PolarHBondContact O-N 2.81Å; K592-S596 PolarHBondContact O-OG 2.94Å
593	L	51.6	Low	61.4	Low	107 Å²	107	89.6 Å²	89.6	56%	0.56	46%	0.463	S	S	*	.	H	α-helix	trans	-61.6	-47.6	171.5	-177.8	64.9	0	0	0	111	N589 Q590 K595 S596 Q597	N589-L593 PolarHBondContact O-N 3.22Å; Q590-L593 PolarHBondContact O-N 2.83Å; L593-K595 VanDerWaalsContact C-N 3.34Å; L593-K595 PolarHBondContact O-N 2.95Å; L593-S596 WeakPolarHBondContact CA-OG 3.33Å; L593-S596 PolarHBondContact O-N 3.19Å; L593-S596 PolarHBondContact O-OG 3.11Å; L593-Q597 WeakPolarHBondContact O-CG 3.35Å; L593-Q597 PolarHBondContact O-N 3.3Å
594	F	70.2	Confident	62.3	Low	50 Å²	50	87.5 Å²	87.5	22%	0.219	46%	0.457	C	S	.	.	H	α-helix	trans	-62.4	-38.9	177.2	-178.6	-97.1	0	0	0	112.3	Q590 Q597 C598 L612 R615	Q590-F594 VanDerWaalsContact O-CB 3.32Å; Q590-F594 WeakPolarHBondContact O-CB 3.14Å; Q590-F594 PolarHBondContact O-N 3.2Å; F594-Q597 WeakPolarHBondContact O-CB 3.49Å; F594-Q597 PolarHBondContact O-N 3.43Å; F594-C598 WeakPolarHBondContact CE1-SG 3.44Å; F594-C598 VanDerWaalsContact CZ-SG 3.52Å; F594-C598 PolarHBondContact O-N 3.19Å; F594-C598 PolarHBondContact O-SG 2.95Å; F594-L612 HydrophobicContact CE2-CD1 4.05Å; F594-L612 HydrophobicContact CZ-CD1 3.92Å; F594-R615 HydrophobicContact CE1-CB 3.65Å; F594-R615 HydrophobicContact CZ-CB 3.56Å; F594-R615 HydrophobicContact CZ-CG 4.49Å
595	K	69.8	Low	64.1	Low	128 Å²	128	86 Å²	86	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-61.3	-46.3	172.6	-168.8	-178.7	-175.6	-148.9	0	111.6	N591 K592 L593 Q597 C598 E599	N591-K595 VanDerWaalsContact O-CB 3.29Å; N591-K595 WeakPolarHBondContact O-CB 3.32Å; N591-K595 PolarHBondContact O-N 3.05Å; K592-K595 PolarHBondContact O-N 2.84Å; L593-K595 VanDerWaalsContact C-N 3.34Å; L593-K595 PolarHBondContact O-N 2.95Å; K595-Q597 VanDerWaalsContact C-N 3.26Å; K595-Q597 PolarHBondContact O-N 3.19Å; K595-C598 WeakPolarHBondContact O-CB 3.26Å; K595-C598 PolarHBondContact O-N 2.84Å; K595-C598 VanDerWaalsContact O-N 3.13Å; K595-E599 WeakPolarHBondContact CE-OE1 3.4Å; K595-E599 HydrophobicContact CG-CG 4.5Å; K595-E599 IonicContact NZ-OE1 2.71Å; K595-E599 PolarHBondContact NZ-OE1 3.48Å; K595-E599 WeakPolarHBondContact O-CG 3.41Å; K595-E599 PolarHBondContact O-N 3.26Å
596	S	71.6	Confident	66	Low	42 Å²	42	78.6 Å²	78.6	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-28.9	175	52	0	0	0	0	113.3	K592 L593 E599 L600	K592-S596 PolarHBondContact O-N 2.81Å; K592-S596 PolarHBondContact O-OG 2.94Å; L593-S596 WeakPolarHBondContact CA-OG 3.33Å; L593-S596 PolarHBondContact O-N 3.19Å; L593-S596 PolarHBondContact O-OG 3.11Å; S596-E599 PolarHBondContact O-N 3.29Å; S596-L600 WeakPolarHBondContact O-CB 3.31Å; S596-L600 WeakPolarHBondContact O-CD1 3.48Å; S596-L600 VanDerWaalsContact O-CG 3.23Å; S596-L600 WeakPolarHBondContact O-CG 3.49Å; S596-L600 PolarHBondContact O-N 3.06Å
597	Q	76.9	Confident	67.3	Low	94 Å²	94	76.1 Å²	76.1	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-66.9	-46.5	170.7	-71.5	171	-36.4	0	0	111.2	L593 F594 K595 E599 L600 M601	L593-Q597 WeakPolarHBondContact O-CG 3.35Å; L593-Q597 PolarHBondContact O-N 3.3Å; F594-Q597 WeakPolarHBondContact O-CB 3.49Å; F594-Q597 PolarHBondContact O-N 3.43Å; K595-Q597 VanDerWaalsContact C-N 3.26Å; K595-Q597 PolarHBondContact O-N 3.19Å; Q597-E599 PolarHBondContact O-N 2.92Å; Q597-L600 PolarHBondContact O-N 2.93Å; Q597-L600 VanDerWaalsContact O-N 3.12Å; Q597-M601 VanDerWaalsContact O-CG 3.31Å; Q597-M601 WeakPolarHBondContact O-CG 3.28Å; Q597-M601 PolarHBondContact O-N 3.35Å
598	C	82.5	Confident	68.6	Low	10 Å²	10	78.6 Å²	78.6	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-26	174	-66.8	0	0	0	0	114.3	F594 K595 I606 C616	F594-C598 WeakPolarHBondContact CE1-SG 3.44Å; F594-C598 VanDerWaalsContact CZ-SG 3.52Å; F594-C598 PolarHBondContact O-N 3.19Å; F594-C598 PolarHBondContact O-SG 2.95Å; K595-C598 WeakPolarHBondContact O-CB 3.26Å; K595-C598 PolarHBondContact O-N 2.84Å; K595-C598 VanDerWaalsContact O-N 3.13Å; C598-I606 WeakPolarHBondContact O-CD1 3.38Å; C598-C616 HydrophobicContact CB-CB 3.6Å; C598-C616 WeakPolarHBondContact CB-SG 3.32Å; C598-C616 WeakPolarHBondContact SG-CA 3.31Å; C598-C616 WeakPolarHBondContact SG-CB 3.5Å; C598-C616 CovalentContact SG-SG 2.04Å; C598-C616 PolarHBondContact SG-SG 3.27Å
599	E	80.6	Confident	69.8	Low	125 Å²	125	78.9 Å²	78.9	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-81.1	-24.5	175	-71.2	165.6	171.5	0	0	112.3	K595 S596 Q597	K595-E599 WeakPolarHBondContact CE-OE1 3.4Å; K595-E599 HydrophobicContact CG-CG 4.5Å; K595-E599 IonicContact NZ-OE1 2.71Å; K595-E599 PolarHBondContact NZ-OE1 3.48Å; K595-E599 WeakPolarHBondContact O-CG 3.41Å; K595-E599 PolarHBondContact O-N 3.26Å; S596-E599 PolarHBondContact O-N 3.29Å; Q597-E599 PolarHBondContact O-N 2.92Å
600	L	78.3	Confident	70.4	Confident	148 Å²	148	80.9 Å²	80.9	78%	0.775	43%	0.425	S	S	*	.	H	α-helix	trans	-91.7	-32.2	176.9	-72.4	168.2	0	0	0	113.8	S596 Q597	S596-L600 WeakPolarHBondContact O-CB 3.31Å; S596-L600 WeakPolarHBondContact O-CD1 3.48Å; S596-L600 VanDerWaalsContact O-CG 3.23Å; S596-L600 WeakPolarHBondContact O-CG 3.49Å; S596-L600 PolarHBondContact O-N 3.06Å; Q597-L600 PolarHBondContact O-N 2.93Å; Q597-L600 VanDerWaalsContact O-N 3.12Å
601	M	81.7	Confident	71.1	Confident	62 Å²	62	80.4 Å²	80.4	31%	0.305	42%	0.422	S	S	.	.	S	Bend	trans	-70.7	140.3	178.9	-71.1	179.7	73.9	0	0	111.8	Q597 E605 I606 L612	Q597-M601 VanDerWaalsContact O-CG 3.31Å; Q597-M601 WeakPolarHBondContact O-CG 3.28Å; Q597-M601 PolarHBondContact O-N 3.35Å; M601-E605 WeakPolarHBondContact CA-OE2 3.46Å; M601-E605 HydrophobicContact CE-CB 3.81Å; M601-I606 HydrophobicContact CB-CD1 3.9Å; M601-I606 HydrophobicContact CB-CG1 3.69Å; M601-I606 HydrophobicContact CE-CG1 4.38Å; M601-I606 HydrophobicContact SD-CG1 4.49Å; M601-L612 HydrophobicContact CE-CD2 3.85Å; M601-L612 HydrophobicContact SD-CD2 4.46Å
602	K	84.8	Confident	72.2	Confident	141 Å²	141	77.6 Å²	77.6	61%	0.613	41%	0.407	S	S	*	.			trans	-68.4	150.4	174.5	-58.1	-179.9	-160.3	121	0	109.8	A604 E605 I606	K602-A604 PolarHBondContact O-N 2.04Å; K602-E605 HydrophobicContact CB-CG 4.2Å; K602-E605 VanDerWaalsContact CD-OE1 3.23Å; K602-E605 WeakPolarHBondContact CD-OE1 3.48Å; K602-E605 WeakPolarHBondContact CE-OE1 3.21Å; K602-E605 WeakPolarHBondContact CG-OE1 3.5Å; K602-E605 PolarHBondContact N-OE2 2.84Å; K602-E605 IonicContact NZ-OE1 3.05Å; K602-E605 PolarHBondContact NZ-OE1 2.63Å; K602-E605 WeakPolarHBondContact O-CB 3.22Å; K602-E605 PolarHBondContact O-N 3.22Å; K602-I606 PolarHBondContact O-N 2.92Å; K602-I606 VanDerWaalsContact O-N 3.11Å
603	L	80.7	Confident	73	Confident	36 Å²	36	72.9 Å²	72.9	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-53.1	-43.4	177.1	-178.7	62	0	0	0	111.3	E605 I606 C607 R618 E621 Q625	L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.95Å; L603-I606 PolarHBondContact O-N 2.76Å; L603-C607 WeakPolarHBondContact CD1-SG 3.28Å; L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3.28Å; L603-C607 PolarHBondContact O-SG 3.14Å; L603-R618 HydrophobicContact CD1-CB 4.32Å; L603-E621 HydrophobicContact CD1-CB 3.67Å; L603-E621 HydrophobicContact CD2-CB 4.06Å; L603-Q625 HydrophobicContact CD2-CB 4.38Å
604	A	73.2	Confident	73.9	Confident	74 Å²	74	73.4 Å²	73.4	61%	0.612	38%	0.384	S	S	*	.	H	α-helix	trans	-54.7	-44.2	176.6	0	0	0	0	0	113.5	K602 C607 V608	K602-A604 PolarHBondContact O-N 2.04Å; A604-C607 PolarHBondContact O-N 3.41Å; A604-V608 WeakPolarHBondContact O-CG2 3.37Å; A604-V608 PolarHBondContact O-N 2.04Å
605	E	79	Confident	74.1	Confident	74 Å²	74	79.1 Å²	79.1	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-41	179.5	-63	151.8	-164.6	0	0	110.9	M601 K602 L603 C607	M601-E605 WeakPolarHBondContact CA-OE2 3.46Å; M601-E605 HydrophobicContact CE-CB 3.81Å; K602-E605 HydrophobicContact CB-CG 4.2Å; K602-E605 VanDerWaalsContact CD-OE1 3.23Å; K602-E605 WeakPolarHBondContact CD-OE1 3.48Å; K602-E605 WeakPolarHBondContact CE-OE1 3.21Å; K602-E605 WeakPolarHBondContact CG-OE1 3.5Å; K602-E605 PolarHBondContact N-OE2 2.84Å; K602-E605 IonicContact NZ-OE1 3.05Å; K602-E605 PolarHBondContact NZ-OE1 2.63Å; K602-E605 WeakPolarHBondContact O-CB 3.22Å; K602-E605 PolarHBondContact O-N 3.22Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.95Å; E605-C607 VanDerWaalsContact C-N 3.35Å; E605-C607 PolarHBondContact O-N 2.84Å
606	I	75.7	Confident	74.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-37.7	176.8	-65.7	173.3	0	0	0	111.4	C598 M601 K602 L603 V608 L612 A613 C616 R618	C598-I606 WeakPolarHBondContact O-CD1 3.38Å; M601-I606 HydrophobicContact CB-CD1 3.9Å; M601-I606 HydrophobicContact CB-CG1 3.69Å; M601-I606 HydrophobicContact CE-CG1 4.38Å; M601-I606 HydrophobicContact SD-CG1 4.49Å; K602-I606 PolarHBondContact O-N 2.92Å; K602-I606 VanDerWaalsContact O-N 3.11Å; L603-I606 PolarHBondContact O-N 2.76Å; I606-V608 VanDerWaalsContact C-N 3.33Å; I606-V608 PolarHBondContact O-N 3.21Å; I606-L612 HydrophobicContact CG2-CG 4.46Å; I606-A613 HydrophobicContact CG2-CB 4.04Å; I606-C616 HydrophobicContact CD1-CB 4.49Å; I606-C616 HydrophobicContact CG2-CB 4.09Å; I606-R618 HydrophobicContact CG2-CB 4.3Å
607	C	71.8	Confident	75	Confident	23 Å²	23	78.9 Å²	78.9	16%	0.155	41%	0.407	C	S	.	.	H	α-helix	trans	-79.4	-6.9	-175.2	-57.3	0	0	0	0	115.3	L603 A604 E605 N609 C622	L603-C607 WeakPolarHBondContact CD1-SG 3.28Å; L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3.28Å; L603-C607 PolarHBondContact O-SG 3.14Å; A604-C607 PolarHBondContact O-N 3.41Å; E605-C607 VanDerWaalsContact C-N 3.35Å; E605-C607 PolarHBondContact O-N 2.84Å; C607-N609 PolarHBondContact O-N 2.81Å; C607-C622 WeakPolarHBondContact CA-SG 3Å; C607-C622 HydrophobicContact CB-CB 3.7Å; C607-C622 WeakPolarHBondContact CB-SG 3.46Å; C607-C622 WeakPolarHBondContact SG-CA 3.48Å; C607-C622 WeakPolarHBondContact SG-CB 3.3Å; C607-C622 CovalentContact SG-SG 2.03Å; C607-C622 PolarHBondContact SG-SG 3.37Å
608	V	70.1	Confident	75.2	Confident	123 Å²	123	77.1 Å²	77.1	75%	0.745	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.1	171.7	-177.9	0	0	0	0	111.3	A604 I606	A604-V608 WeakPolarHBondContact O-CG2 3.37Å; A604-V608 PolarHBondContact O-N 2.04Å; I606-V608 VanDerWaalsContact C-N 3.33Å; I606-V608 PolarHBondContact O-N 3.21Å
609	N	68.1	Low	74.6	Confident	85 Å²	85	80.2 Å²	80.2	46%	0.455	41%	0.412	S	S	.	.			trans	-129.1	117.1	-176.1	179.8	-34.5	0	0	0	110.6	C607 E611 L612 A613	C607-N609 PolarHBondContact O-N 2.81Å; N609-E611 VanDerWaalsContact C-N 3.32Å; N609-E611 PolarHBondContact O-N 3.33Å; N609-E611 PolarHBondContact OD1-N 3.31Å; N609-L612 HydrophobicContact CB-CB 3.81Å; N609-L612 WeakPolarHBondContact O-CB 3.3Å; N609-L612 PolarHBondContact O-N 2.84Å; N609-L612 VanDerWaalsContact O-N 3.13Å; N609-L612 PolarHBondContact OD1-N 2.88Å; N609-A613 PolarHBondContact O-N 3.5Å
610	S	59.6	Low	73.9	Confident	90 Å²	90	77.5 Å²	77.5	63%	0.629	40%	0.402	S	S	*	.	H	α-helix	trans	-64.8	-31.3	-176.5	54.2	0	0	0	0	113.8	K614	S610-K614 WeakPolarHBondContact O-CB 3.23Å; S610-K614 PolarHBondContact O-N 3.35Å
611	E	61.1	Low	73.7	Confident	83 Å²	83	74.2 Å²	74.2	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-76	-31.2	174.7	-171.3	62.2	-156.1	0	0	111.2	N609 K614 R615	N609-E611 VanDerWaalsContact C-N 3.32Å; N609-E611 PolarHBondContact O-N 3.33Å; N609-E611 PolarHBondContact OD1-N 3.31Å; E611-K614 IonicContact OE1-NZ 3.72Å; E611-K614 PolarHBondContact OE1-NZ 3.03Å; E611-K614 WeakPolarHBondContact OE2-CD 3.04Å; E611-K614 IonicContact OE2-NZ 2.7Å; E611-K614 PolarHBondContact OE2-NZ 3.37Å; E611-R615 VanDerWaalsContact O-CB 3.31Å; E611-R615 WeakPolarHBondContact O-CB 3.27Å; E611-R615 WeakPolarHBondContact O-CG 3.43Å; E611-R615 PolarHBondContact O-N 3.04Å
612	L	76.6	Confident	73.2	Confident	35 Å²	35	71.5 Å²	71.5	18%	0.183	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-49.6	169.2	179.4	60.2	0	0	0	111	F594 M601 I606 N609 K614 R615 C616	F594-L612 HydrophobicContact CE2-CD1 4.05Å; F594-L612 HydrophobicContact CZ-CD1 3.92Å; M601-L612 HydrophobicContact CE-CD2 3.85Å; M601-L612 HydrophobicContact SD-CD2 4.46Å; I606-L612 HydrophobicContact CG2-CG 4.46Å; N609-L612 HydrophobicContact CB-CB 3.81Å; N609-L612 WeakPolarHBondContact O-CB 3.3Å; N609-L612 PolarHBondContact O-N 2.84Å; N609-L612 VanDerWaalsContact O-N 3.13Å; N609-L612 PolarHBondContact OD1-N 2.88Å; L612-K614 VanDerWaalsContact C-N 3.28Å; L612-K614 PolarHBondContact O-N 3.23Å; L612-R615 PolarHBondContact O-N 3.44Å; L612-R615 VanDerWaalsContact O-N 3.16Å; L612-C616 WeakPolarHBondContact O-CB 3.38Å; L612-C616 PolarHBondContact O-N 2.87Å; L612-C616 PolarHBondContact O-SG 2.94Å
613	A	69.5	Low	72.2	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-40.5	176.3	0	0	0	0	0	112.6	I606 N609 N617 R618 L619 C622	I606-A613 HydrophobicContact CG2-CB 4.04Å; N609-A613 PolarHBondContact O-N 3.5Å; A613-N617 PolarHBondContact O-N 3.06Å; A613-R618 PolarHBondContact O-N 2.72Å; A613-L619 HydrophobicContact CB-CD1 4.15Å; A613-L619 PolarHBondContact O-N 2.78Å; A613-L619 VanDerWaalsContact O-N 3.12Å; A613-C622 HydrophobicContact CB-CB 4.2Å; A613-C622 VanDerWaalsContact CB-SG 3.55Å
614	K	70.5	Confident	71.4	Confident	117 Å²	117	67.4 Å²	67.4	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-46.5	173.5	178.2	177.4	155.3	-147.3	0	112.4	S610 E611 L612 C616 N617 L619	S610-K614 WeakPolarHBondContact O-CB 3.23Å; S610-K614 PolarHBondContact O-N 3.35Å; E611-K614 IonicContact OE1-NZ 3.72Å; E611-K614 PolarHBondContact OE1-NZ 3.03Å; E611-K614 WeakPolarHBondContact OE2-CD 3.04Å; E611-K614 IonicContact OE2-NZ 2.7Å; E611-K614 PolarHBondContact OE2-NZ 3.37Å; L612-K614 VanDerWaalsContact C-N 3.28Å; L612-K614 PolarHBondContact O-N 3.23Å; K614-C616 PolarHBondContact O-N 2.87Å; K614-N617 PolarHBondContact O-N 2.71Å; K614-L619 HydrophobicContact CB-CD2 4.31Å
615	R	74.9	Confident	71	Confident	171 Å²	171	67.3 Å²	67.3	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-37.8	175.8	-77.8	174.6	167.7	-148.1	-2.6	113	F594 E611 L612 N617	F594-R615 HydrophobicContact CE1-CB 3.65Å; F594-R615 HydrophobicContact CZ-CB 3.56Å; F594-R615 HydrophobicContact CZ-CG 4.49Å; E611-R615 VanDerWaalsContact O-CB 3.31Å; E611-R615 WeakPolarHBondContact O-CB 3.27Å; E611-R615 WeakPolarHBondContact O-CG 3.43Å; E611-R615 PolarHBondContact O-N 3.04Å; L612-R615 PolarHBondContact O-N 3.44Å; L612-R615 VanDerWaalsContact O-N 3.16Å; R615-N617 PolarHBondContact O-N 3.16Å
616	C	81.6	Confident	70	Confident	18 Å²	18	66.4 Å²	66.4	12%	0.122	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.9	174	-67.4	0	0	0	0	113.7	C598 I606 L612 K614 R618	C598-C616 HydrophobicContact CB-CB 3.6Å; C598-C616 WeakPolarHBondContact CB-SG 3.32Å; C598-C616 WeakPolarHBondContact SG-CA 3.31Å; C598-C616 WeakPolarHBondContact SG-CB 3.5Å; C598-C616 CovalentContact SG-SG 2.04Å; C598-C616 PolarHBondContact SG-SG 3.27Å; I606-C616 HydrophobicContact CD1-CB 4.49Å; I606-C616 HydrophobicContact CG2-CB 4.09Å; L612-C616 WeakPolarHBondContact O-CB 3.38Å; L612-C616 PolarHBondContact O-N 2.87Å; L612-C616 PolarHBondContact O-SG 2.94Å; K614-C616 PolarHBondContact O-N 2.87Å; C616-R618 HydrophobicContact CB-CG 4.07Å; C616-R618 WeakPolarHBondContact O-CG 3.42Å; C616-R618 PolarHBondContact O-N 3.34Å
617	N	78.2	Confident	69.1	Low	146 Å²	146	66.8 Å²	66.8	78%	0.781	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.9	-172.6	-162.6	50.4	0	0	0	114.8	A613 K614 R615	A613-N617 PolarHBondContact O-N 3.06Å; K614-N617 PolarHBondContact O-N 2.71Å; R615-N617 PolarHBondContact O-N 3.16Å
618	R	80.2	Confident	68.5	Low	58 Å²	58	69.6 Å²	69.6	22%	0.219	34%	0.344	C	S	.	.			trans	-105	10.3	-180	-52.6	-170.7	74.2	177.9	-1.6	113.3	L603 I606 A613 C616 N620 E621 C622	L603-R618 HydrophobicContact CD1-CB 4.32Å; I606-R618 HydrophobicContact CG2-CB 4.3Å; A613-R618 PolarHBondContact O-N 2.72Å; C616-R618 HydrophobicContact CB-CG 4.07Å; C616-R618 WeakPolarHBondContact O-CG 3.42Å; C616-R618 PolarHBondContact O-N 3.34Å; R618-N620 PolarHBondContact O-N 3Å; R618-E621 HydrophobicContact CB-CB 4.45Å; R618-E621 WeakPolarHBondContact CB-OE1 3.36Å; R618-E621 WeakPolarHBondContact CG-OE1 3.36Å; R618-E621 IonicContact CZ-OE1 2.77Å; R618-E621 IonicContact CZ-OE2 3.31Å; R618-E621 VanDerWaalsContact NE-CD 3.35Å; R618-E621 IonicContact NE-OE1 2.64Å; R618-E621 PolarHBondContact NE-OE1 3.38Å; R618-E621 IonicContact NE-OE2 3.2Å; R618-E621 PolarHBondContact NE-OE2 3.41Å; R618-E621 IonicContact NH2-OE1 2.77Å; R618-E621 IonicContact NH2-OE2 3.01Å; R618-E621 PolarHBondContact NH2-OE2 3.15Å; R618-E621 WeakPolarHBondContact O-CA 3.36Å; R618-E621 WeakPolarHBondContact O-CB 3.39Å; R618-E621 PolarHBondContact O-N 3Å; R618-C622 PolarHBondContact O-N 3.15Å
619	L	71.3	Confident	67.8	Low	74 Å²	74	65.8 Å²	65.8	39%	0.387	32%	0.32	S	S	.	.	H	α-helix	trans	-54.9	-37.1	-178	-174.7	64.6	0	0	0	113.2	A613 K614 C622 Y623	A613-L619 HydrophobicContact CB-CD1 4.15Å; A613-L619 PolarHBondContact O-N 2.78Å; A613-L619 VanDerWaalsContact O-N 3.12Å; K614-L619 HydrophobicContact CB-CD2 4.31Å; L619-C622 PolarHBondContact O-N 3.18Å; L619-Y623 PolarHBondContact O-N 3Å
620	N	64.3	Low	67	Low	69 Å²	69	62 Å²	62	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-40.1	175.3	-67.5	-21.5	0	0	0	112.2	R618 C622 Y623 E624 N674	R618-N620 PolarHBondContact O-N 3Å; N620-C622 VanDerWaalsContact C-N 3.31Å; N620-Y623 PolarHBondContact O-N 3.29Å; N620-E624 WeakPolarHBondContact O-CB 3.41Å; N620-E624 PolarHBondContact O-N 3.2Å; N620-N674 PolarHBondContact ND2-ND2 3.16Å
621	E	75.9	Confident	66.5	Low	79 Å²	79	58.2 Å²	58.2	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-39.6	173.5	-62.9	173.6	-105.6	0	0	110.8	L603 R618 E624 Q625	L603-E621 HydrophobicContact CD1-CB 3.67Å; L603-E621 HydrophobicContact CD2-CB 4.06Å; R618-E621 HydrophobicContact CB-CB 4.45Å; R618-E621 WeakPolarHBondContact CB-OE1 3.36Å; R618-E621 WeakPolarHBondContact CG-OE1 3.36Å; R618-E621 IonicContact CZ-OE1 2.77Å; R618-E621 IonicContact CZ-OE2 3.31Å; R618-E621 VanDerWaalsContact NE-CD 3.35Å; R618-E621 IonicContact NE-OE1 2.64Å; R618-E621 PolarHBondContact NE-OE1 3.38Å; R618-E621 IonicContact NE-OE2 3.2Å; R618-E621 PolarHBondContact NE-OE2 3.41Å; R618-E621 IonicContact NH2-OE1 2.77Å; R618-E621 IonicContact NH2-OE2 3.01Å; R618-E621 PolarHBondContact NH2-OE2 3.15Å; R618-E621 WeakPolarHBondContact O-CA 3.36Å; R618-E621 WeakPolarHBondContact O-CB 3.39Å; R618-E621 PolarHBondContact O-N 3Å; E621-E624 PolarHBondContact O-N 3.19Å; E621-Q625 VanDerWaalsContact O-CB 3.26Å; E621-Q625 WeakPolarHBondContact O-CB 3.39Å; E621-Q625 PolarHBondContact O-N 2.89Å
622	C	69.8	Low	66.1	Low	4 Å²	4	59.9 Å²	59.9	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-41.1	176.5	-70	0	0	0	0	112.9	C607 A613 R618 L619 N620 Q625 Q626	C607-C622 WeakPolarHBondContact CA-SG 3Å; C607-C622 HydrophobicContact CB-CB 3.7Å; C607-C622 WeakPolarHBondContact CB-SG 3.46Å; C607-C622 WeakPolarHBondContact SG-CA 3.48Å; C607-C622 WeakPolarHBondContact SG-CB 3.3Å; C607-C622 CovalentContact SG-SG 2.03Å; C607-C622 PolarHBondContact SG-SG 3.37Å; A613-C622 HydrophobicContact CB-CB 4.2Å; A613-C622 VanDerWaalsContact CB-SG 3.55Å; R618-C622 PolarHBondContact O-N 3.15Å; L619-C622 PolarHBondContact O-N 3.18Å; N620-C622 VanDerWaalsContact C-N 3.31Å; C622-Q625 PolarHBondContact O-N 3.05Å; C622-Q626 WeakPolarHBondContact O-CB 3.31Å; C622-Q626 VanDerWaalsContact O-CG 3.25Å; C622-Q626 WeakPolarHBondContact O-CG 3.01Å; C622-Q626 PolarHBondContact O-N 3.45Å
623	Y	64.1	Low	64.7	Low	52 Å²	52	59.9 Å²	59.9	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-44.1	173.5	-174.3	-84.3	0	0	0	111.2	L619 N620 Q625 Q626 V627 F668 I672	L619-Y623 PolarHBondContact O-N 3Å; N620-Y623 PolarHBondContact O-N 3.29Å; Y623-Q625 VanDerWaalsContact C-N 3.27Å; Y623-Q625 PolarHBondContact O-N 3.19Å; Y623-Q626 WeakPolarHBondContact O-CB 3.36Å; Y623-Q626 PolarHBondContact O-N 3.07Å; Y623-V627 HydrophobicContact CD1-CG2 3.77Å; Y623-V627 HydrophobicContact CE1-CG2 3.51Å; Y623-V627 VanDerWaalsContact O-CG2 3.3Å; Y623-V627 WeakPolarHBondContact O-CG2 3.45Å; Y623-V627 PolarHBondContact O-N 2.98Å; Y623-F668 WeakPolarHBondContact OH-CB 3.5Å; Y623-F668 WeakPolarHBondContact OH-CD2 3.17Å; Y623-F668 VanDerWaalsContact OH-CG 3.31Å; Y623-F668 WeakPolarHBondContact OH-CG 3.47Å; Y623-I672 HydrophobicContact CD1-CD1 3.22Å; Y623-I672 HydrophobicContact CD1-CG1 3.78Å; Y623-I672 HydrophobicContact CD2-CD1 4.17Å; Y623-I672 HydrophobicContact CE1-CD1 3.63Å; Y623-I672 HydrophobicContact CE1-CG1 3.64Å; Y623-I672 HydrophobicContact CG-CD1 3.5Å; Y623-I672 VanDerWaalsContact CG-CD1 3.5Å; Y623-I672 HydrophobicContact CG-CG1 4.42Å
624	E	63.3	Low	63.6	Low	40 Å²	40	61 Å²	61	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-38.6	172.8	-84	-127	139.7	0	0	112.1	N620 E621 V627 K628 K660	N620-E624 WeakPolarHBondContact O-CB 3.41Å; N620-E624 PolarHBondContact O-N 3.2Å; E621-E624 PolarHBondContact O-N 3.19Å; E624-V627 PolarHBondContact O-N 2.82Å; E624-K628 VanDerWaalsContact O-CB 3.3Å; E624-K628 WeakPolarHBondContact O-CB 3.23Å; E624-K628 WeakPolarHBondContact O-CD 3.2Å; E624-K628 WeakPolarHBondContact O-CG 2.98Å; E624-K628 PolarHBondContact O-N 3.26Å; E624-K628 IonicContact OE2-NZ 3.22Å; E624-K628 PolarHBondContact OE2-NZ 3.04Å; E624-K660 IonicContact OE1-NZ 3.37Å; E624-K660 PolarHBondContact OE1-NZ 3.36Å
625	Q	66	Low	62.3	Low	72 Å²	72	57.4 Å²	57.4	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-36.2	175.8	-168.8	61.4	50.5	0	0	111.7	L603 E621 C622 Y623 K628 N629	L603-Q625 HydrophobicContact CD2-CB 4.38Å; E621-Q625 VanDerWaalsContact O-CB 3.26Å; E621-Q625 WeakPolarHBondContact O-CB 3.39Å; E621-Q625 PolarHBondContact O-N 2.89Å; C622-Q625 PolarHBondContact O-N 3.05Å; Y623-Q625 VanDerWaalsContact C-N 3.27Å; Y623-Q625 PolarHBondContact O-N 3.19Å; Q625-K628 PolarHBondContact O-N 3.36Å; Q625-N629 PolarHBondContact NE2-OD1 3.06Å; Q625-N629 WeakPolarHBondContact O-CB 3.38Å; Q625-N629 PolarHBondContact O-N 3.17Å; Q625-N629 PolarHBondContact O-OD1 3.43Å
626	Q	57.7	Low	60.6	Low	54 Å²	54	51.7 Å²	51.7	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-42.3	170.9	-75.5	166.9	-8	0	0	111.3	C622 Y623 F630	C622-Q626 WeakPolarHBondContact O-CB 3.31Å; C622-Q626 VanDerWaalsContact O-CG 3.25Å; C622-Q626 WeakPolarHBondContact O-CG 3.01Å; C622-Q626 PolarHBondContact O-N 3.45Å; Y623-Q626 WeakPolarHBondContact O-CB 3.36Å; Y623-Q626 PolarHBondContact O-N 3.07Å; Q626-F630 WeakPolarHBondContact O-CB 3.49Å; Q626-F630 PolarHBondContact O-N 3.29Å
627	V	56.3	Low	58.7	Low	8 Å²	8	54.5 Å²	54.5	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.9	173.5	175.6	0	0	0	0	111	Y623 E624 F630 L631 F668	Y623-V627 HydrophobicContact CD1-CG2 3.77Å; Y623-V627 HydrophobicContact CE1-CG2 3.51Å; Y623-V627 VanDerWaalsContact O-CG2 3.3Å; Y623-V627 WeakPolarHBondContact O-CG2 3.45Å; Y623-V627 PolarHBondContact O-N 2.98Å; E624-V627 PolarHBondContact O-N 2.82Å; V627-F630 PolarHBondContact O-N 3.5Å; V627-L631 HydrophobicContact CG1-CD1 3.74Å; V627-L631 HydrophobicContact CG1-CG 4.33Å; V627-L631 WeakPolarHBondContact O-CB 3.5Å; V627-L631 WeakPolarHBondContact O-CG 3.29Å; V627-L631 PolarHBondContact O-N 2.98Å; V627-F668 HydrophobicContact CG1-CE2 4.41Å; V627-F668 HydrophobicContact CG2-CD2 4.32Å; V627-F668 HydrophobicContact CG2-CE2 3.68Å; V627-F668 HydrophobicContact CG2-CZ 4Å
628	K	59	Low	56.8	Low	83 Å²	83	52.2 Å²	52.2	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-44.6	177.6	-74.7	159.6	173.6	162.9	0	111	E624 Q625 N632 E680	E624-K628 VanDerWaalsContact O-CB 3.3Å; E624-K628 WeakPolarHBondContact O-CB 3.23Å; E624-K628 WeakPolarHBondContact O-CD 3.2Å; E624-K628 WeakPolarHBondContact O-CG 2.98Å; E624-K628 PolarHBondContact O-N 3.26Å; E624-K628 IonicContact OE2-NZ 3.22Å; E624-K628 PolarHBondContact OE2-NZ 3.04Å; Q625-K628 PolarHBondContact O-N 3.36Å; K628-N632 WeakPolarHBondContact O-CB 3.25Å; K628-N632 PolarHBondContact O-N 3.48Å; K628-N632 PolarHBondContact O-ND2 2.88Å; K628-N632 PolarHBondContact O-OD1 2.96Å; K628-E680 IonicContact NZ-OE1 2.68Å
629	N	55.5	Low	54.7	Low	43 Å²	43	53 Å²	53	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-46.9	173.4	-75.3	1.6	0	0	0	112.2	N63 Q625 N632 L633	N63-N629 PolarHBondContact ND2-ND2 3.41Å; N63-N629 PolarHBondContact OD1-ND2 3.22Å; N63-N629 VanDerWaalsContact OD1-ND2 3.12Å; Q625-N629 PolarHBondContact NE2-OD1 3.06Å; Q625-N629 WeakPolarHBondContact O-CB 3.38Å; Q625-N629 PolarHBondContact O-N 3.17Å; Q625-N629 PolarHBondContact O-OD1 3.43Å; N629-N632 PolarHBondContact O-N 3.47Å; N629-L633 WeakPolarHBondContact O-CB 3.25Å; N629-L633 PolarHBondContact O-N 3.17Å
630	F	51	Low	52.9	Low	6 Å²	6	54.3 Å²	54.3	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-49.2	179	177.5	-94.2	0	0	0	111.4	I67 L79 Q626 V627 N632 L633 F634 L667 F668	I67-F630 HydrophobicContact CD1-CB 4.05Å; I67-F630 HydrophobicContact CD1-CD2 3.33Å; I67-F630 HydrophobicContact CD1-CE2 4.08Å; I67-F630 HydrophobicContact CD1-CG 4.01Å; I67-F630 HydrophobicContact CG2-CD2 4.39Å; I67-F630 HydrophobicContact CG2-CE2 4.06Å; L79-F630 HydrophobicContact CD2-CE2 3.51Å; L79-F630 HydrophobicContact CD2-CZ 3.61Å; L79-F630 HydrophobicContact CG-CZ 4.2Å; Q626-F630 WeakPolarHBondContact O-CB 3.49Å; Q626-F630 PolarHBondContact O-N 3.29Å; V627-F630 PolarHBondContact O-N 3.5Å; F630-N632 VanDerWaalsContact C-N 3.31Å; F630-N632 PolarHBondContact O-N 3.45Å; F630-L633 VanDerWaalsContact O-CB 3.3Å; F630-L633 WeakPolarHBondContact O-CB 3.26Å; F630-L633 PolarHBondContact O-N 3.47Å; F630-L633 VanDerWaalsContact O-N 3.13Å; F630-F634 HydrophobicContact CD1-CD2 4.31Å; F630-F634 AromaticContact CD2-CD2 3.94Å; F630-F634 HydrophobicContact CD2-CD2 3.94Å; F630-F634 AromaticContact CD2-CE2 3.64Å; F630-F634 HydrophobicContact CD2-CE2 3.64Å; F630-F634 AromaticContact CE1-CD2 3.95Å; F630-F634 HydrophobicContact CE1-CD2 3.95Å; F630-F634 HydrophobicContact CE1-CE2 4.37Å; F630-F634 AromaticContact CE2-CD2 3.64Å; F630-F634 HydrophobicContact CE2-CD2 3.64Å; F630-F634 AromaticContact CE2-CE2 3.22Å; F630-F634 HydrophobicContact CE2-CE2 3.22Å; F630-F634 HydrophobicContact CE2-CZ 4.22Å; F630-F634 HydrophobicContact CG-CD2 4.3Å; F630-F634 HydrophobicContact CG-CE2 4.43Å; F630-F634 AromaticContact CZ-CD2 3.63Å; F630-F634 HydrophobicContact CZ-CD2 3.63Å; F630-F634 AromaticContact CZ-CE2 3.63Å; F630-F634 HydrophobicContact CZ-CE2 3.63Å; F630-F634 VanDerWaalsContact O-CD2 3.28Å; F630-F634 WeakPolarHBondContact O-CD2 3.4Å; F630-F634 PolarHBondContact O-N 3.43Å; F630-L667 HydrophobicContact CD1-CD1 3.85Å; F630-L667 HydrophobicContact CE1-CD1 3.44Å; F630-L667 VanDerWaalsContact CE1-CD1 3.44Å; F630-L667 HydrophobicContact CE1-CD2 3.46Å; F630-L667 VanDerWaalsContact CE1-CD2 3.46Å; F630-L667 HydrophobicContact CE1-CG 3.99Å; F630-L667 HydrophobicContact CZ-CD1 4.41Å; F630-L667 HydrophobicContact CZ-CD2 3.65Å; F630-F668 HydrophobicContact CB-CZ 4.5Å; F630-F668 HydrophobicContact CD1-CZ 4.2Å; F630-F668 HydrophobicContact CG-CZ 4.26Å
631	L	50.3	Low	51.5	Low	10 Å²	10	56.1 Å²	56.1	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-36.6	179.6	-69.2	176.6	0	0	0	111.5	V627 S635 I636 T638 L663 L667	V627-L631 HydrophobicContact CG1-CD1 3.74Å; V627-L631 HydrophobicContact CG1-CG 4.33Å; V627-L631 WeakPolarHBondContact O-CB 3.5Å; V627-L631 WeakPolarHBondContact O-CG 3.29Å; V627-L631 PolarHBondContact O-N 2.98Å; L631-S635 CarbonylContact O-C 3.53Å; L631-S635 PolarHBondContact O-N 2.7Å; L631-S635 VanDerWaalsContact O-N 3.15Å; L631-I636 WeakPolarHBondContact CB-O 3.16Å; L631-I636 HydrophobicContact CD2-CB 3.91Å; L631-I636 HydrophobicContact CD2-CG2 3.83Å; L631-I636 PolarHBondContact O-N 2.98Å; L631-T638 HydrophobicContact CD1-CG2 3.52Å; L631-L663 HydrophobicContact CD1-CD2 4.41Å; L631-L663 HydrophobicContact CD2-CD2 3.84Å; L631-L663 HydrophobicContact CD2-CG 4.45Å; L631-L667 HydrophobicContact CD2-CD1 4.17Å
632	N	52.6	Low	49.5	Very low	118 Å²	118	58.3 Å²	58.3	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-42.7	170	-69.9	-14.3	0	0	0	112.8	K628 N629 F630 F634 S635	K628-N632 WeakPolarHBondContact O-CB 3.25Å; K628-N632 PolarHBondContact O-N 3.48Å; K628-N632 PolarHBondContact O-ND2 2.88Å; K628-N632 PolarHBondContact O-OD1 2.96Å; N629-N632 PolarHBondContact O-N 3.47Å; F630-N632 VanDerWaalsContact C-N 3.31Å; F630-N632 PolarHBondContact O-N 3.45Å; N632-F634 VanDerWaalsContact C-N 3.32Å; N632-F634 PolarHBondContact O-N 3.41Å; N632-S635 PolarHBondContact O-N 2.9Å
633	L	46	Very low	48.1	Very low	35 Å²	35	62 Å²	62	18%	0.183	34%	0.339	C	S	.	.	H	α-helix	trans	-56.4	-43.2	179.2	-103.2	159.3	0	0	0	112.4	E60 N63 L116 N629 F630 S635	E60-L633 HydrophobicContact CB-CD2 4.2Å; E60-L633 HydrophobicContact CG-CD2 4.04Å; N63-L633 HydrophobicContact CB-CD1 3.49Å; N63-L633 VanDerWaalsContact CB-CD1 3.49Å; L116-L633 HydrophobicContact CD2-CD2 4Å; N629-L633 WeakPolarHBondContact O-CB 3.25Å; N629-L633 PolarHBondContact O-N 3.17Å; F630-L633 VanDerWaalsContact O-CB 3.3Å; F630-L633 WeakPolarHBondContact O-CB 3.26Å; F630-L633 PolarHBondContact O-N 3.47Å; F630-L633 VanDerWaalsContact O-N 3.13Å; L633-S635 VanDerWaalsContact C-N 3.31Å
634	F	46.7	Very low	47	Very low	23 Å²	23	66.5 Å²	66.5	10%	0.101	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6	177	-64.7	-75.8	0	0	0	113.4	L79 A82 F630 N632 I636	L79-F634 HydrophobicContact CD2-CE2 4.16Å; L79-F634 HydrophobicContact CD2-CZ 3.99Å; L79-F634 WeakPolarHBondContact O-CE1 3.4Å; A82-F634 HydrophobicContact CB-CB 4.14Å; A82-F634 HydrophobicContact CB-CD1 4.04Å; A82-F634 HydrophobicContact CB-CG 4.44Å; F630-F634 HydrophobicContact CD1-CD2 4.31Å; F630-F634 AromaticContact CD2-CD2 3.94Å; F630-F634 HydrophobicContact CD2-CD2 3.94Å; F630-F634 AromaticContact CD2-CE2 3.64Å; F630-F634 HydrophobicContact CD2-CE2 3.64Å; F630-F634 AromaticContact CE1-CD2 3.95Å; F630-F634 HydrophobicContact CE1-CD2 3.95Å; F630-F634 HydrophobicContact CE1-CE2 4.37Å; F630-F634 AromaticContact CE2-CD2 3.64Å; F630-F634 HydrophobicContact CE2-CD2 3.64Å; F630-F634 AromaticContact CE2-CE2 3.22Å; F630-F634 HydrophobicContact CE2-CE2 3.22Å; F630-F634 HydrophobicContact CE2-CZ 4.22Å; F630-F634 HydrophobicContact CG-CD2 4.3Å; F630-F634 HydrophobicContact CG-CE2 4.43Å; F630-F634 AromaticContact CZ-CD2 3.63Å; F630-F634 HydrophobicContact CZ-CD2 3.63Å; F630-F634 AromaticContact CZ-CE2 3.63Å; F630-F634 HydrophobicContact CZ-CE2 3.63Å; F630-F634 VanDerWaalsContact O-CD2 3.28Å; F630-F634 WeakPolarHBondContact O-CD2 3.4Å; F630-F634 PolarHBondContact O-N 3.43Å; N632-F634 VanDerWaalsContact C-N 3.32Å; N632-F634 PolarHBondContact O-N 3.41Å; F634-I636 HydrophobicContact CB-CD1 3.66Å; F634-I636 HydrophobicContact CB-CG1 3.71Å; F634-I636 PolarHBondContact O-N 3.21Å
635	S	43.2	Very low	46	Very low	42 Å²	42	72.5 Å²	72.5	29%	0.294	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	17.9	-171.9	-55	0	0	0	0	114.5	L631 N632 L633 S637	L631-S635 CarbonylContact O-C 3.53Å; L631-S635 PolarHBondContact O-N 2.7Å; L631-S635 VanDerWaalsContact O-N 3.15Å; N632-S635 PolarHBondContact O-N 2.9Å; L633-S635 VanDerWaalsContact C-N 3.31Å; S635-S637 VanDerWaalsContact C-N 3.3Å; S635-S637 PolarHBondContact O-N 2.95Å
636	I	40.2	Very low	45.1	Very low	52 Å²	52	71 Å²	71	27%	0.267	39%	0.386	S	S	.	.			trans	-74.5	85.8	177	-57.7	171.9	0	0	0	107.4	A82 L631 F634 T638 L663	A82-I636 HydrophobicContact CB-CD1 4.35Å; L631-I636 WeakPolarHBondContact CB-O 3.16Å; L631-I636 HydrophobicContact CD2-CB 3.91Å; L631-I636 HydrophobicContact CD2-CG2 3.83Å; L631-I636 PolarHBondContact O-N 2.98Å; F634-I636 HydrophobicContact CB-CD1 3.66Å; F634-I636 HydrophobicContact CB-CG1 3.71Å; F634-I636 PolarHBondContact O-N 3.21Å; I636-T638 PolarHBondContact O-N 3.05Å; I636-L663 HydrophobicContact CG2-CD2 4.36Å
637	S	40.4	Very low	44.7	Very low	76 Å²	76	74 Å²	74	53%	0.531	41%	0.405	S	S	.	.			trans	-56.1	127.8	167.6	-67.8	0	0	0	0	109.2	S635 V639 S640	S635-S637 VanDerWaalsContact C-N 3.3Å; S635-S637 PolarHBondContact O-N 2.95Å; S637-V639 PolarHBondContact O-N 3.02Å; S637-S640 PolarHBondContact O-N 3.16Å
638	T	38.4	Very low	44.8	Very low	98 Å²	98	82.1 Å²	82.1	60%	0.601	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6	165.6	46.4	0	0	0	0	113.3	L631 I636	L631-T638 HydrophobicContact CD1-CG2 3.52Å; I636-T638 PolarHBondContact O-N 3.05Å
639	V	35.8	Very low	45.3	Very low	76 Å²	76	79 Å²	79	46%	0.461	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	18	-168.3	-158.1	0	0	0	0	111.4	S637 L641 N643	S637-V639 PolarHBondContact O-N 3.02Å; V639-L641 PolarHBondContact O-N 3.41Å; V639-N643 VanDerWaalsContact CG1-CG 3.45Å; V639-N643 VanDerWaalsContact CG1-ND2 3.27Å; V639-N643 WeakPolarHBondContact CG1-ND2 3.47Å; V639-N643 WeakPolarHBondContact CG1-OD1 3.47Å
640	S	34.8	Very low	46.5	Very low	101 Å²	101	80.9 Å²	80.9	71%	0.706	44%	0.442	S	S	*	.			trans	-83.1	18.6	177.5	-163.1	0	0	0	0	114.7	S637	S637-S640 PolarHBondContact O-N 3.16Å
641	L	35.3	Very low	48.3	Very low	106 Å²	106	80.7 Å²	80.7	56%	0.555	44%	0.442	S	S	*	.	S	Bend	trans	-117.4	81.5	174.3	-73.4	173.1	0	0	0	110.6	V639 N643 I646 T659	V639-L641 PolarHBondContact O-N 3.41Å; L641-N643 PolarHBondContact O-N 3.46Å; L641-I646 HydrophobicContact CB-CD1 4.22Å; L641-I646 WeakPolarHBondContact O-CD1 3.2Å; L641-T659 HydrophobicContact CD1-CG2 3.9Å
642	N	33.5	Very low	50	Low	125 Å²	125	81.6 Å²	81.6	67%	0.668	45%	0.449	S	S	*	.			trans	43.1	66.5	161.7	-65.5	-35.4	0	0	0	116.2	D644 K645 I646	N642-D644 PolarHBondContact O-N 3.15Å; N642-K645 PolarHBondContact O-N 3.13Å; N642-I646 PolarHBondContact O-N 3.05Å
643	N	41	Very low	51.8	Low	81 Å²	81	76.1 Å²	76.1	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-51.9	-29.5	-178.3	-124.2	9.2	0	0	0	114.5	V639 L641 K645 N647	V639-N643 VanDerWaalsContact CG1-CG 3.45Å; V639-N643 VanDerWaalsContact CG1-ND2 3.27Å; V639-N643 WeakPolarHBondContact CG1-ND2 3.47Å; V639-N643 WeakPolarHBondContact CG1-OD1 3.47Å; L641-N643 PolarHBondContact O-N 3.46Å; N643-K645 VanDerWaalsContact C-N 3.29Å; N643-K645 PolarHBondContact O-N 3.17Å; N643-N647 PolarHBondContact O-ND2 3.14Å
644	D	40.1	Very low	54	Low	147 Å²	147	74.4 Å²	74.4	79%	0.786	41%	0.411	S	S	*	.	H	α-helix	trans	-74.5	-12.6	-178.9	-61.1	-45.4	0	0	0	114.9	N642	N642-D644 PolarHBondContact O-N 3.15Å
645	K	42	Very low	56	Low	167 Å²	167	74.2 Å²	74.2	73%	0.726	41%	0.411	S	S	*	.	H	α-helix	trans	-106.3	-42.3	176.4	-75.7	-172	175.8	-179.2	0	113.4	N642 N643 N647 K648	N642-K645 PolarHBondContact O-N 3.13Å; N643-K645 VanDerWaalsContact C-N 3.29Å; N643-K645 PolarHBondContact O-N 3.17Å; K645-N647 VanDerWaalsContact C-N 3.27Å; K645-N647 PolarHBondContact O-N 2.85Å; K645-K648 PolarHBondContact O-N 3.41Å; K645-K648 VanDerWaalsContact O-N 3.12Å
646	I	47.8	Very low	58	Low	39 Å²	39	75.4 Å²	75.4	20%	0.2	42%	0.417	C	S	.	.	H	α-helix	trans	-62.9	-36.4	-175.8	-60.8	-173.4	0	0	0	111.4	L641 N642 K648 S649 S652 V656	L641-I646 HydrophobicContact CB-CD1 4.22Å; L641-I646 WeakPolarHBondContact O-CD1 3.2Å; N642-I646 PolarHBondContact O-N 3.05Å; I646-K648 PolarHBondContact O-N 3.02Å; I646-S649 PolarHBondContact O-N 3.36Å; I646-S649 VanDerWaalsContact O-N 3.13Å; I646-S652 WeakPolarHBondContact O-CB 3.43Å; I646-V656 HydrophobicContact CG2-CG2 3.91Å
647	N	49	Very low	60.3	Low	119 Å²	119	73.1 Å²	73.1	64%	0.636	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	7.4	176.3	-70.7	-41.2	0	0	0	115.3	N643 K645	N643-N647 PolarHBondContact O-ND2 3.14Å; K645-N647 VanDerWaalsContact C-N 3.27Å; K645-N647 PolarHBondContact O-N 2.85Å
648	K	58.1	Low	62.5	Low	178 Å²	178	69.5 Å²	69.5	77%	0.774	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-3.9	175	-66.9	175.9	-178	165.7	0	113.9	K645 I646	K645-K648 PolarHBondContact O-N 3.41Å; K645-K648 VanDerWaalsContact O-N 3.12Å; I646-K648 PolarHBondContact O-N 3.02Å
649	S	68.8	Low	64.6	Low	18 Å²	18	67 Å²	67	13%	0.126	37%	0.365	C	S	.	.			trans	-77.9	134.1	172.5	-178.1	0	0	0	0	109.7	I646 C651 S652 E712	I646-S649 PolarHBondContact O-N 3.36Å; I646-S649 VanDerWaalsContact O-N 3.13Å; S649-C651 PolarHBondContact O-N 3.41Å; S649-C651 PolarHBondContact OG-N 3.39Å; S649-S652 WeakPolarHBondContact O-CB 3.44Å; S649-S652 PolarHBondContact O-N 3.43Å; S649-S652 VanDerWaalsContact O-N 3.16Å; S649-S652 PolarHBondContact O-OG 3.21Å; S649-E712 WeakPolarHBondContact CB-OE1 3.36Å; S649-E712 PolarHBondContact OG-OE1 3.36Å
650	P	81.5	Confident	66.7	Low	81 Å²	81	65.8 Å²	65.8	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.1	173.4	35.3	-38.5	0	0	0	111.9	Q689 C721 A722	P650-Q689 PolarHBondContact O-NE2 3.24Å; P650-C721 CarbonylContact C-O 3.5Å; P650-C721 WeakPolarHBondContact CB-O 3.38Å; P650-C721 WeakPolarHBondContact CG-O 3.24Å; P650-A722 HydrophobicContact CG-CB 4.2Å
651	C	88.5	Confident	68.8	Low	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	12.7	173.3	-68	0	0	0	0	114.1	S649 V653 C654 V655 Q689 C715 C721	S649-C651 PolarHBondContact O-N 3.41Å; S649-C651 PolarHBondContact OG-N 3.39Å; C651-V653 PolarHBondContact O-N 2.87Å; C651-C654 WeakPolarHBondContact O-CB 3.25Å; C651-C654 PolarHBondContact O-N 2.03Å; C651-C654 VanDerWaalsContact O-N 3.11Å; C651-V655 HydrophobicContact CB-CG2 4.43Å; C651-V655 PolarHBondContact O-N 3.26Å; C651-Q689 VanDerWaalsContact C-OE1 3.23Å; C651-Q689 PolarHBondContact O-OE1 3.3Å; C651-C715 HydrophobicContact CB-CB 4.25Å; C651-C721 VanDerWaalsContact CA-SG 3.51Å; C651-C721 HydrophobicContact CB-CB 3.95Å; C651-C721 WeakPolarHBondContact CB-SG 3.38Å; C651-C721 VanDerWaalsContact SG-C 3.52Å; C651-C721 WeakPolarHBondContact SG-CB 3.32Å; C651-C721 CovalentContact SG-SG 2.03Å; C651-C721 PolarHBondContact SG-SG 3.04Å
652	S	86.3	Confident	70.9	Confident	29 Å²	29	56.6 Å²	56.6	20%	0.203	30%	0.296	C	S	.	.	H	α-helix	trans	-51.5	-49.8	-168.9	58.1	0	0	0	0	114.4	I646 S649 C654 V655 V656	I646-S652 WeakPolarHBondContact O-CB 3.43Å; S649-S652 WeakPolarHBondContact O-CB 3.44Å; S649-S652 PolarHBondContact O-N 3.43Å; S649-S652 VanDerWaalsContact O-N 3.16Å; S649-S652 PolarHBondContact O-OG 3.21Å; S652-C654 VanDerWaalsContact C-N 3.33Å; S652-C654 PolarHBondContact O-N 3.47Å; S652-V655 PolarHBondContact O-N 3.28Å; S652-V656 WeakPolarHBondContact O-CG2 3.48Å; S652-V656 PolarHBondContact O-N 2.95Å
653	V	89.5	Confident	72.4	Confident	3 Å²	3	53 Å²	53	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-42.8	-179.4	174.5	0	0	0	0	110.6	C651 V656 M657 Y681 E686 Q689 C690	C651-V653 PolarHBondContact O-N 2.87Å; V653-V656 PolarHBondContact O-N 2.93Å; V653-M657 HydrophobicContact CG1-CG 4.21Å; V653-M657 HydrophobicContact CG1-SD 3.64Å; V653-M657 WeakPolarHBondContact O-CB 3.28Å; V653-M657 VanDerWaalsContact O-CG 3.27Å; V653-M657 WeakPolarHBondContact O-CG 3.47Å; V653-M657 PolarHBondContact O-N 2.77Å; V653-Y681 HydrophobicContact CB-CE1 4.41Å; V653-Y681 HydrophobicContact CG1-CD2 4.44Å; V653-Y681 HydrophobicContact CG1-CE1 4.03Å; V653-Y681 HydrophobicContact CG1-CE2 3.88Å; V653-Y681 HydrophobicContact CG2-CD1 4.02Å; V653-Y681 HydrophobicContact CG2-CE1 3.76Å; V653-E686 HydrophobicContact CG2-CB 3.88Å; V653-E686 HydrophobicContact CG2-CG 3.97Å; V653-Q689 HydrophobicContact CB-CB 4.29Å; V653-Q689 HydrophobicContact CB-CG 3.97Å; V653-Q689 HydrophobicContact CG1-CG 4.44Å; V653-Q689 VanDerWaalsContact N-OE1 3.13Å; V653-C690 HydrophobicContact CG1-CB 3.95Å
654	C	92.4	Very high	73.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-44.1	177.1	-177.7	0	0	0	0	112.8	C651 S652 T658 V693 C715 I719	C651-C654 WeakPolarHBondContact O-CB 3.25Å; C651-C654 PolarHBondContact O-N 2.03Å; C651-C654 VanDerWaalsContact O-N 3.11Å; S652-C654 VanDerWaalsContact C-N 3.33Å; S652-C654 PolarHBondContact O-N 3.47Å; C654-T658 WeakPolarHBondContact O-CB 3.42Å; C654-T658 PolarHBondContact O-N 3.3Å; C654-T658 PolarHBondContact O-OG1 3.19Å; C654-V693 HydrophobicContact CB-CG2 3.45Å; C654-V693 VanDerWaalsContact CB-CG2 3.45Å; C654-C715 HydrophobicContact CB-CB 3.66Å; C654-C715 WeakPolarHBondContact CB-SG 3.32Å; C654-C715 PolarHBondContact O-SG 2.8Å; C654-C715 WeakPolarHBondContact SG-CA 3.25Å; C654-C715 WeakPolarHBondContact SG-CB 3.33Å; C654-C715 CovalentContact SG-SG 2.03Å; C654-C715 PolarHBondContact SG-SG 3.42Å; C654-I719 HydrophobicContact CB-CD1 3.58Å; C654-I719 HydrophobicContact CB-CG1 4.24Å
655	V	90.3	Very high	74.6	Confident	19 Å²	19	45.1 Å²	45.1	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-44.2	179.5	175.3	0	0	0	0	110.6	C651 S652 T659 V711 E712 C715	C651-V655 HydrophobicContact CB-CG2 4.43Å; C651-V655 PolarHBondContact O-N 3.26Å; S652-V655 PolarHBondContact O-N 3.28Å; V655-T659 VanDerWaalsContact O-CB 3.26Å; V655-T659 WeakPolarHBondContact O-CB 3.23Å; V655-T659 PolarHBondContact O-N 2.89Å; V655-T659 PolarHBondContact O-OG1 3.17Å; V655-V711 HydrophobicContact CG1-CG1 4.43Å; V655-E712 HydrophobicContact CG2-CB 3.94Å; V655-E712 HydrophobicContact CG2-CG 4.13Å; V655-C715 HydrophobicContact CG2-CB 4.33Å
656	V	84.7	Confident	75.3	Confident	67 Å²	67	40.3 Å²	40.3	41%	0.406	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-51.4	177.4	170.7	0	0	0	0	111.1	I646 S652 V653 T659 K660	I646-V656 HydrophobicContact CG2-CG2 3.91Å; S652-V656 WeakPolarHBondContact O-CG2 3.48Å; S652-V656 PolarHBondContact O-N 2.95Å; V653-V656 PolarHBondContact O-N 2.93Å; V656-T659 PolarHBondContact O-N 2.92Å; V656-K660 WeakPolarHBondContact O-CB 3.07Å; V656-K660 PolarHBondContact O-N 2.88Å
657	M	87.6	Confident	75.3	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-44.9	-178.7	-71.3	-178.2	72.2	0	0	112.4	V653 T659 K660 W661 I677 Y681 C690 V693 V694	V653-M657 HydrophobicContact CG1-CG 4.21Å; V653-M657 HydrophobicContact CG1-SD 3.64Å; V653-M657 WeakPolarHBondContact O-CB 3.28Å; V653-M657 VanDerWaalsContact O-CG 3.27Å; V653-M657 WeakPolarHBondContact O-CG 3.47Å; V653-M657 PolarHBondContact O-N 2.77Å; M657-T659 VanDerWaalsContact C-N 3.3Å; M657-T659 PolarHBondContact O-N 3.05Å; M657-K660 PolarHBondContact O-N 2.89Å; M657-W661 HydrophobicContact CE-CH2 3.84Å; M657-W661 HydrophobicContact CE-CZ2 3.54Å; M657-W661 WeakPolarHBondContact O-CB 3.49Å; M657-W661 VanDerWaalsContact O-CG 3.23Å; M657-W661 PolarHBondContact O-N 2.86Å; M657-I677 HydrophobicContact CE-CG2 4.44Å; M657-Y681 HydrophobicContact SD-CE2 4.09Å; M657-C690 HydrophobicContact SD-CB 4.14Å; M657-C690 PolarHBondContact SD-SG 3.08Å; M657-V693 HydrophobicContact CB-CG1 3.8Å; M657-V693 HydrophobicContact CE-CG1 3.98Å; M657-V693 HydrophobicContact CG-CG1 4.38Å; M657-V693 HydrophobicContact SD-CB 4.11Å; M657-V693 HydrophobicContact SD-CG1 3.73Å; M657-V694 HydrophobicContact CE-CG2 3.9Å
658	T	87.8	Confident	75.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-38.1	179.4	-54	0	0	0	0	111.1	C654 W661 L662 L700 S704 V711	C654-T658 WeakPolarHBondContact O-CB 3.42Å; C654-T658 PolarHBondContact O-N 3.3Å; C654-T658 PolarHBondContact O-OG1 3.19Å; T658-W661 PolarHBondContact O-N 2.86Å; T658-L662 WeakPolarHBondContact O-CG 3.42Å; T658-L662 PolarHBondContact O-N 2.99Å; T658-L700 HydrophobicContact CG2-CB 4.3Å; T658-S704 WeakPolarHBondContact CG2-OG 3.38Å; T658-V711 HydrophobicContact CG2-CG1 4Å
659	T	82.6	Confident	75.1	Confident	46 Å²	46	28.2 Å²	28.2	28%	0.282	16%	0.161	S	C	.	.	H	α-helix	trans	-70.3	-42.5	175.5	-51.2	0	0	0	0	112	L641 V655 V656 M657 W661 L662 L663	L641-T659 HydrophobicContact CD1-CG2 3.9Å; V655-T659 VanDerWaalsContact O-CB 3.26Å; V655-T659 WeakPolarHBondContact O-CB 3.23Å; V655-T659 PolarHBondContact O-N 2.89Å; V655-T659 PolarHBondContact O-OG1 3.17Å; V656-T659 PolarHBondContact O-N 2.92Å; M657-T659 VanDerWaalsContact C-N 3.3Å; M657-T659 PolarHBondContact O-N 3.05Å; T659-W661 VanDerWaalsContact C-N 3.25Å; T659-W661 PolarHBondContact O-N 3.36Å; T659-L662 PolarHBondContact O-N 3.48Å; T659-L663 PolarHBondContact O-N 3.09Å
660	K	78.3	Confident	74.5	Confident	50 Å²	50	28.5 Å²	28.5	22%	0.217	17%	0.166	C	C	.	.	H	α-helix	trans	-55.4	-42.1	171.2	-176	-178.2	177.2	-173.5	0	110.5	E624 V656 M657 Q664 E680	E624-K660 IonicContact OE1-NZ 3.37Å; E624-K660 PolarHBondContact OE1-NZ 3.36Å; V656-K660 WeakPolarHBondContact O-CB 3.07Å; V656-K660 PolarHBondContact O-N 2.88Å; M657-K660 PolarHBondContact O-N 2.89Å; K660-Q664 WeakPolarHBondContact O-CG 3.43Å; K660-Q664 PolarHBondContact O-N 3.4Å; K660-E680 IonicContact NZ-OE2 3.88Å
661	W	80.4	Confident	73.6	Confident	3 Å²	3	25.8 Å²	25.8	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-75	-35.9	179.6	-68.4	-27.9	0	0	0	114.6	M657 T658 T659 L663 Q664 W665 P671 I672 I673 V693 V694 A697 L701	M657-W661 HydrophobicContact CE-CH2 3.84Å; M657-W661 HydrophobicContact CE-CZ2 3.54Å; M657-W661 WeakPolarHBondContact O-CB 3.49Å; M657-W661 VanDerWaalsContact O-CG 3.23Å; M657-W661 PolarHBondContact O-N 2.86Å; T658-W661 PolarHBondContact O-N 2.86Å; T659-W661 VanDerWaalsContact C-N 3.25Å; T659-W661 PolarHBondContact O-N 3.36Å; W661-L663 VanDerWaalsContact C-N 3.33Å; W661-Q664 PolarHBondContact O-N 3.18Å; W661-W665 WeakPolarHBondContact O-CB 3.5Å; W661-W665 PolarHBondContact O-N 2.96Å; W661-P671 HydrophobicContact CB-CB 3.67Å; W661-P671 HydrophobicContact CB-CG 4.01Å; W661-P671 VanDerWaalsContact CD1-CB 3.48Å; W661-P671 HydrophobicContact CG-CB 3.72Å; W661-P671 HydrophobicContact CG-CG 4.23Å; W661-I672 PolarHBondContact NE1-O 3.49Å; W661-I673 HydrophobicContact CD2-CG1 4.29Å; W661-I673 HydrophobicContact CH2-CG1 4.38Å; W661-I673 HydrophobicContact CH2-CG2 4.33Å; W661-I673 HydrophobicContact CZ2-CB 4.31Å; W661-I673 HydrophobicContact CZ2-CG1 3.84Å; W661-I673 HydrophobicContact CZ2-CG2 4.01Å; W661-V693 HydrophobicContact CH2-CG1 3.69Å; W661-V693 HydrophobicContact CZ3-CG1 3.68Å; W661-V694 HydrophobicContact CH2-CG2 4.42Å; W661-V694 HydrophobicContact CZ2-CG2 4.43Å; W661-A697 HydrophobicContact CE3-CB 4.38Å; W661-A697 HydrophobicContact CH2-CB 3.5Å; W661-A697 HydrophobicContact CZ2-CB 4.42Å; W661-A697 HydrophobicContact CZ3-CB 3.48Å; W661-A697 VanDerWaalsContact CZ3-CB 3.48Å; W661-L701 HydrophobicContact CB-CD1 4.42Å; W661-L701 HydrophobicContact CB-CD2 3.81Å; W661-L701 HydrophobicContact CB-CG 4.44Å; W661-L701 HydrophobicContact CE3-CD1 4.28Å; W661-L701 HydrophobicContact CE3-CG 4.37Å
662	L	78.1	Confident	72.2	Confident	11 Å²	11	27.5 Å²	27.5	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-45.6	171.1	-76.8	175.8	0	0	0	110.8	T658 T659 W665 D666 L701 R705 R708 V711	T658-L662 WeakPolarHBondContact O-CG 3.42Å; T658-L662 PolarHBondContact O-N 2.99Å; T659-L662 PolarHBondContact O-N 3.48Å; L662-W665 WeakPolarHBondContact O-CB 3.04Å; L662-W665 PolarHBondContact O-N 3.45Å; L662-W665 VanDerWaalsContact O-N 3.15Å; L662-D666 PolarHBondContact O-N 3.13Å; L662-L701 HydrophobicContact CD2-CD2 4.34Å; L662-R705 HydrophobicContact CD2-CB 4.4Å; L662-R705 HydrophobicContact CD2-CG 3.5Å; L662-R708 HydrophobicContact CD1-CG 4.27Å; L662-V711 HydrophobicContact CD1-CG2 4.19Å
663	L	64.6	Low	71.3	Confident	50 Å²	50	27 Å²	27	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-62.7	-44.2	176.7	-176.8	59.1	0	0	0	111.6	L631 I636 T659 W661 W665 D666 L667	L631-L663 HydrophobicContact CD1-CD2 4.41Å; L631-L663 HydrophobicContact CD2-CD2 3.84Å; L631-L663 HydrophobicContact CD2-CG 4.45Å; I636-L663 HydrophobicContact CG2-CD2 4.36Å; T659-L663 PolarHBondContact O-N 3.09Å; W661-L663 VanDerWaalsContact C-N 3.33Å; L663-W665 VanDerWaalsContact C-N 3.3Å; L663-W665 PolarHBondContact O-N 2.89Å; L663-D666 PolarHBondContact O-N 2.78Å; L663-L667 HydrophobicContact CD1-CD1 3.78Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 3.85Å; L663-L667 WeakPolarHBondContact O-CB 3.33Å; L663-L667 WeakPolarHBondContact O-CD1 3.46Å; L663-L667 WeakPolarHBondContact O-CG 3.22Å; L663-L667 PolarHBondContact O-N 3.39Å; L663-L667 VanDerWaalsContact O-N 3.16Å
664	Q	61.3	Low	70	Confident	7 Å²	7	28.5 Å²	28.5	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-36.2	172.7	-74	177.5	-12.5	0	0	112.8	K660 W661 L667 F668 P671 I672	K660-Q664 WeakPolarHBondContact O-CG 3.43Å; K660-Q664 PolarHBondContact O-N 3.4Å; W661-Q664 PolarHBondContact O-N 3.18Å; Q664-L667 PolarHBondContact O-N 3.49Å; Q664-F668 HydrophobicContact CB-CD2 4.36Å; Q664-F668 WeakPolarHBondContact O-CD2 3.36Å; Q664-F668 PolarHBondContact O-N 3.4Å; Q664-P671 HydrophobicContact CB-CB 3.99Å; Q664-I672 VanDerWaalsContact OE1-N 3.15Å
665	W	66.7	Low	69.1	Low	55 Å²	55	34 Å²	34	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-47	176.5	-158.3	-54.9	0	0	0	111.3	W661 L662 L663 L667 G669 P671 L701	W661-W665 WeakPolarHBondContact O-CB 3.5Å; W661-W665 PolarHBondContact O-N 2.96Å; L662-W665 WeakPolarHBondContact O-CB 3.04Å; L662-W665 PolarHBondContact O-N 3.45Å; L662-W665 VanDerWaalsContact O-N 3.15Å; L663-W665 VanDerWaalsContact C-N 3.3Å; L663-W665 PolarHBondContact O-N 2.89Å; W665-L667 VanDerWaalsContact C-N 3.3Å; W665-L667 PolarHBondContact O-N 2.65Å; W665-G669 PolarHBondContact NE1-O 2.98Å; W665-G669 CarbonylContact O-C 3.5Å; W665-G669 VanDerWaalsContact O-CA 3.27Å; W665-G669 WeakPolarHBondContact O-CA 3.37Å; W665-G669 PolarHBondContact O-N 3.04Å; W665-P671 HydrophobicContact CE3-CG 4.07Å; W665-P671 HydrophobicContact CZ3-CG 4.48Å; W665-L701 HydrophobicContact CE3-CD1 4.2Å; W665-L701 HydrophobicContact CE3-CD2 4.02Å; W665-L701 HydrophobicContact CZ3-CB 4.41Å; W665-L701 HydrophobicContact CZ3-CD1 4.09Å
666	D	57	Low	68.2	Low	65 Å²	65	36.5 Å²	36.5	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-32.7	-178.8	-68	-25.3	0	0	0	113.1	L662 L663 R708	L662-D666 PolarHBondContact O-N 3.13Å; L663-D666 PolarHBondContact O-N 2.78Å; D666-R708 VanDerWaalsContact CG-NH2 3.27Å; D666-R708 IonicContact OD1-CZ 3.58Å; D666-R708 IonicContact OD1-NH1 2.68Å; D666-R708 IonicContact OD1-NH2 3.96Å; D666-R708 PolarHBondContact OD1-NH2 3.28Å; D666-R708 IonicContact OD2-CZ 3.18Å; D666-R708 VanDerWaalsContact OD2-CZ 3.28Å; D666-R708 IonicContact OD2-NH1 3.81Å; D666-R708 PolarHBondContact OD2-NH1 3.39Å; D666-R708 IonicContact OD2-NH2 3.77Å; D666-R708 PolarHBondContact OD2-NH2 3.09Å
667	L	47.1	Very low	67.5	Low	19 Å²	19	34.3 Å²	34.3	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-89.1	-34.9	-175.1	-65.7	173.3	0	0	0	114	F630 L631 L663 Q664 W665	F630-L667 HydrophobicContact CD1-CD1 3.85Å; F630-L667 HydrophobicContact CE1-CD1 3.44Å; F630-L667 VanDerWaalsContact CE1-CD1 3.44Å; F630-L667 HydrophobicContact CE1-CD2 3.46Å; F630-L667 VanDerWaalsContact CE1-CD2 3.46Å; F630-L667 HydrophobicContact CE1-CG 3.99Å; F630-L667 HydrophobicContact CZ-CD1 4.41Å; F630-L667 HydrophobicContact CZ-CD2 3.65Å; L631-L667 HydrophobicContact CD2-CD1 4.17Å; L663-L667 HydrophobicContact CD1-CD1 3.78Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 3.85Å; L663-L667 WeakPolarHBondContact O-CB 3.33Å; L663-L667 WeakPolarHBondContact O-CD1 3.46Å; L663-L667 WeakPolarHBondContact O-CG 3.22Å; L663-L667 PolarHBondContact O-N 3.39Å; L663-L667 VanDerWaalsContact O-N 3.16Å; Q664-L667 PolarHBondContact O-N 3.49Å; W665-L667 VanDerWaalsContact C-N 3.3Å; W665-L667 PolarHBondContact O-N 2.65Å
668	F	53.6	Low	67.2	Low	39 Å²	39	34.1 Å²	34.1	17%	0.171	18%	0.184	C	C	.	.	H	α-helix	trans	-128.4	8.6	-169.1	-49.2	-71.1	0	0	0	113.7	I67 Y623 V627 F630 Q664 G670	I67-F668 HydrophobicContact CD1-CE1 4.28Å; Y623-F668 WeakPolarHBondContact OH-CB 3.5Å; Y623-F668 WeakPolarHBondContact OH-CD2 3.17Å; Y623-F668 VanDerWaalsContact OH-CG 3.31Å; Y623-F668 WeakPolarHBondContact OH-CG 3.47Å; V627-F668 HydrophobicContact CG1-CE2 4.41Å; V627-F668 HydrophobicContact CG2-CD2 4.32Å; V627-F668 HydrophobicContact CG2-CE2 3.68Å; V627-F668 HydrophobicContact CG2-CZ 4Å; F630-F668 HydrophobicContact CB-CZ 4.5Å; F630-F668 HydrophobicContact CD1-CZ 4.2Å; F630-F668 HydrophobicContact CG-CZ 4.26Å; Q664-F668 HydrophobicContact CB-CD2 4.36Å; Q664-F668 WeakPolarHBondContact O-CD2 3.36Å; Q664-F668 PolarHBondContact O-N 3.4Å; F668-G670 PolarHBondContact O-N 2.84Å
669	G	50.3	Low	66.7	Low	25 Å²	25	38.2 Å²	38.2	26%	0.258	22%	0.217	S	C	.	.	S	Bend	trans	78.4	-13	-179.1	0	0	0	0	0	115	W665	W665-G669 PolarHBondContact NE1-O 2.98Å; W665-G669 CarbonylContact O-C 3.5Å; W665-G669 VanDerWaalsContact O-CA 3.27Å; W665-G669 WeakPolarHBondContact O-CA 3.37Å; W665-G669 PolarHBondContact O-N 3.04Å
670	G	56.4	Low	66.3	Low	23 Å²	23	41 Å²	41	24%	0.237	23%	0.227	C	C	.	.	S	Bend	trans	-174.5	154	174.3	0	0	0	0	0	112.9	F668	F668-G670 PolarHBondContact O-N 2.84Å
671	P	61.5	Low	66.5	Low	24 Å²	24	40.7 Å²	40.7	16%	0.156	23%	0.225	C	C	.	.			trans	-81.9	155.4	177.2	31.7	-34.3	0	0	0	113.3	W661 Q664 W665 I673 L701	W661-P671 HydrophobicContact CB-CB 3.67Å; W661-P671 HydrophobicContact CB-CG 4.01Å; W661-P671 VanDerWaalsContact CD1-CB 3.48Å; W661-P671 HydrophobicContact CG-CB 3.72Å; W661-P671 HydrophobicContact CG-CG 4.23Å; Q664-P671 HydrophobicContact CB-CB 3.99Å; W665-P671 HydrophobicContact CE3-CG 4.07Å; W665-P671 HydrophobicContact CZ3-CG 4.48Å; P671-I673 HydrophobicContact CG-CD1 4.14Å; P671-I673 HydrophobicContact CG-CG1 4.21Å; P671-I673 PolarHBondContact O-N 3.11Å; P671-L701 HydrophobicContact CG-CD1 3.6Å; P671-L701 HydrophobicContact CG-CD2 4.46Å
672	I	59.4	Low	66.3	Low	39 Å²	39	50 Å²	50	20%	0.2	27%	0.266	C	S	.	.			trans	-83	117.2	162.1	-65.2	-166.4	0	0	0	108.8	Y623 W661 Q664 N674 I677	Y623-I672 HydrophobicContact CD1-CD1 3.22Å; Y623-I672 HydrophobicContact CD1-CG1 3.78Å; Y623-I672 HydrophobicContact CD2-CD1 4.17Å; Y623-I672 HydrophobicContact CE1-CD1 3.63Å; Y623-I672 HydrophobicContact CE1-CG1 3.64Å; Y623-I672 HydrophobicContact CG-CD1 3.5Å; Y623-I672 VanDerWaalsContact CG-CD1 3.5Å; Y623-I672 HydrophobicContact CG-CG1 4.42Å; W661-I672 PolarHBondContact NE1-O 3.49Å; Q664-I672 VanDerWaalsContact OE1-N 3.15Å; I672-N674 HydrophobicContact CG2-CB 4.39Å; I672-I677 HydrophobicContact CG2-CD1 4.45Å; I672-I677 VanDerWaalsContact O-CD1 3.23Å; I672-I677 WeakPolarHBondContact O-CD1 3.47Å
673	I	66.8	Low	66.6	Low	18 Å²	18	52.9 Å²	52.9	9%	0.092	28%	0.284	C	S	.	.			trans	-111.1	110.8	171.3	-58.1	158	0	0	0	106.6	W661 P671 V694 A697 L701	W661-I673 HydrophobicContact CD2-CG1 4.29Å; W661-I673 HydrophobicContact CH2-CG1 4.38Å; W661-I673 HydrophobicContact CH2-CG2 4.33Å; W661-I673 HydrophobicContact CZ2-CB 4.31Å; W661-I673 HydrophobicContact CZ2-CG1 3.84Å; W661-I673 HydrophobicContact CZ2-CG2 4.01Å; P671-I673 HydrophobicContact CG-CD1 4.14Å; P671-I673 HydrophobicContact CG-CG1 4.21Å; P671-I673 PolarHBondContact O-N 3.11Å; I673-V694 HydrophobicContact CG2-CG1 4.09Å; I673-A697 HydrophobicContact CD1-CB 3.84Å; I673-A697 HydrophobicContact CG1-CB 4.3Å; I673-A697 HydrophobicContact CG2-CB 3.97Å; I673-L701 HydrophobicContact CD1-CD1 3.84Å
674	N	63.2	Low	67.4	Low	34 Å²	34	55.8 Å²	55.8	18%	0.182	30%	0.296	C	S	.	.			trans	-142.7	139.2	175.3	-173.4	-16.1	0	0	0	108.5	N620 I672 S676 I677	N620-N674 PolarHBondContact ND2-ND2 3.16Å; I672-N674 HydrophobicContact CG2-CB 4.39Å; N674-S676 PolarHBondContact ND2-OG 3Å; N674-S676 PolarHBondContact O-N 3.05Å; N674-S676 PolarHBondContact OD1-N 3.37Å; N674-S676 VanDerWaalsContact OD1-N 3.12Å; N674-S676 PolarHBondContact OD1-OG 3.49Å; N674-I677 HydrophobicContact CB-CD1 4.42Å; N674-I677 HydrophobicContact CB-CG1 4.39Å; N674-I677 WeakPolarHBondContact O-CB 3.32Å; N674-I677 VanDerWaalsContact O-CG1 3.31Å; N674-I677 WeakPolarHBondContact O-CG1 3.49Å; N674-I677 PolarHBondContact O-N 2.04Å
675	R	74.3	Confident	68.5	Low	117 Å²	117	62 Å²	62	44%	0.442	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.4	177.4	-166.8	168.7	-174.9	-179.2	0.2	112.9	I677 C678 Y691	R675-I677 PolarHBondContact O-N 3.4Å; R675-C678 PolarHBondContact O-N 3.28Å; R675-Y691 HydrophobicContact CG-CD1 3.71Å; R675-Y691 HydrophobicContact CG-CE1 3.51Å; R675-Y691 VanDerWaalsContact NE-CD1 3.29Å; R675-Y691 VanDerWaalsContact NE-CE1 3.26Å
676	S	71	Confident	69.4	Low	71 Å²	71	62.6 Å²	62.6	50%	0.497	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24	173.3	67.8	0	0	0	0	114.1	N674 C678 A679	N674-S676 PolarHBondContact ND2-OG 3Å; N674-S676 PolarHBondContact O-N 3.05Å; N674-S676 PolarHBondContact OD1-N 3.37Å; N674-S676 VanDerWaalsContact OD1-N 3.12Å; N674-S676 PolarHBondContact OD1-OG 3.49Å; S676-C678 PolarHBondContact O-N 3.27Å; S676-A679 WeakPolarHBondContact O-CB 3.27Å; S676-A679 PolarHBondContact O-N 3.42Å; S676-A679 VanDerWaalsContact O-N 3.14Å
677	I	69.2	Low	70.7	Confident	20 Å²	20	61.2 Å²	61.2	10%	0.103	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-61	-29.3	177.9	-61.3	170.3	0	0	0	110.5	M657 I672 N674 R675 A679 E680	M657-I677 HydrophobicContact CE-CG2 4.44Å; I672-I677 HydrophobicContact CG2-CD1 4.45Å; I672-I677 VanDerWaalsContact O-CD1 3.23Å; I672-I677 WeakPolarHBondContact O-CD1 3.47Å; N674-I677 HydrophobicContact CB-CD1 4.42Å; N674-I677 HydrophobicContact CB-CG1 4.39Å; N674-I677 WeakPolarHBondContact O-CB 3.32Å; N674-I677 VanDerWaalsContact O-CG1 3.31Å; N674-I677 WeakPolarHBondContact O-CG1 3.49Å; N674-I677 PolarHBondContact O-N 2.04Å; R675-I677 PolarHBondContact O-N 3.4Å; I677-A679 PolarHBondContact O-N 3.08Å; I677-A679 VanDerWaalsContact O-N 3.1Å; I677-E680 PolarHBondContact O-N 3.2Å
678	C	81.2	Confident	72.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-66.9	-11.4	179.5	-60	0	0	0	0	114.4	R675 S676 E680 Y681 L687 C690 Y691	R675-C678 PolarHBondContact O-N 3.28Å; S676-C678 PolarHBondContact O-N 3.27Å; C678-E680 PolarHBondContact O-N 3.29Å; C678-Y681 PolarHBondContact O-N 3.14Å; C678-Y681 VanDerWaalsContact O-N 3.17Å; C678-L687 HydrophobicContact CB-CD1 4Å; C678-L687 VanDerWaalsContact O-CD1 3.31Å; C678-L687 WeakPolarHBondContact O-CD1 3.25Å; C678-C690 WeakPolarHBondContact CA-SG 3.43Å; C678-C690 HydrophobicContact CB-CB 3.74Å; C678-C690 WeakPolarHBondContact CB-SG 3.29Å; C678-C690 WeakPolarHBondContact SG-CB 3.31Å; C678-C690 CovalentContact SG-SG 2.04Å; C678-C690 PolarHBondContact SG-SG 3.23Å; C678-Y691 HydrophobicContact CB-CD1 3.98Å; C678-Y691 HydrophobicContact CB-CE1 3.62Å
679	A	77.1	Confident	74.3	Confident	86 Å²	86	64 Å²	64	71%	0.711	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-68.8	-11.8	174.1	0	0	0	0	0	114	S676 I677 Y681	S676-A679 WeakPolarHBondContact O-CB 3.27Å; S676-A679 PolarHBondContact O-N 3.42Å; S676-A679 VanDerWaalsContact O-N 3.14Å; I677-A679 PolarHBondContact O-N 3.08Å; I677-A679 VanDerWaalsContact O-N 3.1Å; A679-Y681 VanDerWaalsContact C-N 3.29Å
680	E	75.7	Confident	76.2	Confident	104 Å²	104	62.8 Å²	62.8	49%	0.486	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-71	-24.5	170.5	-63.8	-168.9	130.1	0	0	112.1	K628 K660 I677 C678	K628-E680 IonicContact NZ-OE1 2.68Å; K660-E680 IonicContact NZ-OE2 3.88Å; I677-E680 PolarHBondContact O-N 3.2Å; C678-E680 PolarHBondContact O-N 3.29Å
681	Y	81.1	Confident	77.7	Confident	45 Å²	45	64.8 Å²	64.8	18%	0.176	33%	0.328	C	S	.	.			trans	-89.4	135.3	-177.9	-61.7	-72.5	0	0	0	112.3	V653 M657 C678 A679 E686 C690	V653-Y681 HydrophobicContact CB-CE1 4.41Å; V653-Y681 HydrophobicContact CG1-CD2 4.44Å; V653-Y681 HydrophobicContact CG1-CE1 4.03Å; V653-Y681 HydrophobicContact CG1-CE2 3.88Å; V653-Y681 HydrophobicContact CG2-CD1 4.02Å; V653-Y681 HydrophobicContact CG2-CE1 3.76Å; M657-Y681 HydrophobicContact SD-CE2 4.09Å; C678-Y681 PolarHBondContact O-N 3.14Å; C678-Y681 VanDerWaalsContact O-N 3.17Å; A679-Y681 VanDerWaalsContact C-N 3.29Å; Y681-E686 HydrophobicContact CD1-CB 3.87Å; Y681-E686 HydrophobicContact CD1-CG 4.41Å; Y681-E686 HydrophobicContact CG-CB 4.08Å; Y681-C690 HydrophobicContact CD2-CB 3.72Å; Y681-C690 HydrophobicContact CE2-CB 3.99Å
682	K	77.8	Confident	79	Confident	199 Å²	199	68 Å²	68	87%	0.865	34%	0.341	S	S	*	.			trans	-111.2	-22.4	-169.2	-66.8	-178.1	-178.3	176	0	114.8
683	T	83.6	Confident	80.4	Confident	70 Å²	70	66.1 Å²	66.1	43%	0.429	33%	0.331	S	S	.	.	S	Bend	trans	-92.3	147	174.4	71.7	0	0	0	0	110.6	N685 E686 L687	T683-N685 PolarHBondContact O-N 2.82Å; T683-E686 WeakPolarHBondContact CB-OE2 3.27Å; T683-E686 WeakPolarHBondContact CG2-OE2 3.44Å; T683-E686 PolarHBondContact N-OE2 3.33Å; T683-E686 VanDerWaalsContact N-OE2 3.16Å; T683-E686 PolarHBondContact O-N 3.14Å; T683-E686 WeakPolarHBondContact OG1-CB 3.42Å; T683-E686 WeakPolarHBondContact OG1-CG 3.18Å; T683-E686 PolarHBondContact OG1-N 2.65Å; T683-E686 PolarHBondContact OG1-OE2 3.47Å; T683-L687 WeakPolarHBondContact O-CB 3.07Å; T683-L687 PolarHBondContact O-N 2.94Å
684	E	82.2	Confident	81.2	Confident	112 Å²	112	65.5 Å²	65.5	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-56	-41	179.8	-170	61	-148.6	0	0	111.7	E686 L687 Q688	E684-E686 PolarHBondContact O-N 3Å; E684-L687 PolarHBondContact O-N 3.13Å; E684-Q688 HydrophobicContact CG-CG 4.35Å; E684-Q688 WeakPolarHBondContact O-CB 3.48Å; E684-Q688 VanDerWaalsContact O-CG 3.26Å; E684-Q688 WeakPolarHBondContact O-CG 3.05Å; E684-Q688 PolarHBondContact O-N 3.43Å; E684-Q688 WeakPolarHBondContact OE1-CG 3.39Å; E684-Q688 PolarHBondContact OE1-NE2 3.06Å
685	N	82.5	Confident	82.1	Confident	137 Å²	137	68 Å²	68	73%	0.733	34%	0.339	S	S	*	.	H	α-helix	trans	-63.2	-43.8	179.2	-67.5	-1.7	0	0	0	112.5	T683 Q689	T683-N685 PolarHBondContact O-N 2.82Å; N685-Q689 VanDerWaalsContact O-CB 3.3Å; N685-Q689 WeakPolarHBondContact O-CB 3.2Å; N685-Q689 PolarHBondContact O-N 2.69Å
686	E	86.7	Confident	82.7	Confident	67 Å²	67	66 Å²	66	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-68	-39.4	176.2	-67.5	164.2	136.6	0	0	111.5	V653 Y681 T683 E684 Q689 C690	V653-E686 HydrophobicContact CG2-CB 3.88Å; V653-E686 HydrophobicContact CG2-CG 3.97Å; Y681-E686 HydrophobicContact CD1-CB 3.87Å; Y681-E686 HydrophobicContact CD1-CG 4.41Å; Y681-E686 HydrophobicContact CG-CB 4.08Å; T683-E686 WeakPolarHBondContact CB-OE2 3.27Å; T683-E686 WeakPolarHBondContact CG2-OE2 3.44Å; T683-E686 PolarHBondContact N-OE2 3.33Å; T683-E686 VanDerWaalsContact N-OE2 3.16Å; T683-E686 PolarHBondContact O-N 3.14Å; T683-E686 WeakPolarHBondContact OG1-CB 3.42Å; T683-E686 WeakPolarHBondContact OG1-CG 3.18Å; T683-E686 PolarHBondContact OG1-N 2.65Å; T683-E686 PolarHBondContact OG1-OE2 3.47Å; E684-E686 PolarHBondContact O-N 3Å; E686-Q689 PolarHBondContact O-N 3Å; E686-C690 WeakPolarHBondContact O-CB 3.45Å; E686-C690 PolarHBondContact O-N 3.3Å
687	L	84.4	Confident	83.4	Confident	37 Å²	37	62.6 Å²	62.6	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-47	-179.7	-176	64.7	0	0	0	111.6	C678 T683 E684 C690 Y691	C678-L687 HydrophobicContact CB-CD1 4Å; C678-L687 VanDerWaalsContact O-CD1 3.31Å; C678-L687 WeakPolarHBondContact O-CD1 3.25Å; T683-L687 WeakPolarHBondContact O-CB 3.07Å; T683-L687 PolarHBondContact O-N 2.94Å; E684-L687 PolarHBondContact O-N 3.13Å; L687-C690 WeakPolarHBondContact O-CB 3.35Å; L687-C690 PolarHBondContact O-N 3.09Å; L687-Y691 HydrophobicContact CD1-CE1 4.49Å; L687-Y691 HydrophobicContact CD1-CE2 3.98Å; L687-Y691 HydrophobicContact CD2-CE2 4.35Å; L687-Y691 HydrophobicContact CG-CD2 4.43Å; L687-Y691 HydrophobicContact CG-CE2 3.76Å; L687-Y691 WeakPolarHBondContact O-CD2 3.5Å; L687-Y691 PolarHBondContact O-N 3.29Å
688	Q	85.8	Confident	83.6	Confident	86 Å²	86	61.7 Å²	61.7	40%	0.402	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-40.7	174.3	-65	-63.6	-13.6	0	0	111.6	E684 C690 Y691 H692	E684-Q688 HydrophobicContact CG-CG 4.35Å; E684-Q688 WeakPolarHBondContact O-CB 3.48Å; E684-Q688 VanDerWaalsContact O-CG 3.26Å; E684-Q688 WeakPolarHBondContact O-CG 3.05Å; E684-Q688 PolarHBondContact O-N 3.43Å; E684-Q688 WeakPolarHBondContact OE1-CG 3.39Å; E684-Q688 PolarHBondContact OE1-NE2 3.06Å; Q688-C690 PolarHBondContact O-N 2.73Å; Q688-Y691 PolarHBondContact O-N 3Å; Q688-H692 PolarHBondContact O-CD2 2.66Å; Q688-H692 PolarHBondContact O-N 3.43Å; Q688-H692 VanDerWaalsContact O-N 3.1Å
689	Q	91	Very high	83.8	Confident	29 Å²	29	63.6 Å²	63.6	14%	0.136	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-44.2	173.3	-172.3	164.2	116.1	0	0	111.4	P650 C651 V653 N685 E686 Y691 H692 V693 I719	P650-Q689 PolarHBondContact O-NE2 3.24Å; C651-Q689 VanDerWaalsContact C-OE1 3.23Å; C651-Q689 PolarHBondContact O-OE1 3.3Å; V653-Q689 HydrophobicContact CB-CB 4.29Å; V653-Q689 HydrophobicContact CB-CG 3.97Å; V653-Q689 HydrophobicContact CG1-CG 4.44Å; V653-Q689 VanDerWaalsContact N-OE1 3.13Å; N685-Q689 VanDerWaalsContact O-CB 3.3Å; N685-Q689 WeakPolarHBondContact O-CB 3.2Å; N685-Q689 PolarHBondContact O-N 2.69Å; E686-Q689 PolarHBondContact O-N 3Å; Q689-Y691 VanDerWaalsContact C-N 3.33Å; Q689-Y691 PolarHBondContact O-N 2.91Å; Q689-H692 PolarHBondContact O-N 2.78Å; Q689-V693 HydrophobicContact CG-CG2 4.3Å; Q689-V693 WeakPolarHBondContact O-CG2 3.24Å; Q689-V693 PolarHBondContact O-N 2.59Å; Q689-I719 HydrophobicContact CG-CD1 3.64Å
690	C	90.4	Very high	84.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-42.9	175.9	-176.5	0	0	0	0	112.1	V653 M657 C678 Y681 E686 L687 Q688 H692 V693 V694	V653-C690 HydrophobicContact CG1-CB 3.95Å; M657-C690 HydrophobicContact SD-CB 4.14Å; M657-C690 PolarHBondContact SD-SG 3.08Å; C678-C690 WeakPolarHBondContact CA-SG 3.43Å; C678-C690 HydrophobicContact CB-CB 3.74Å; C678-C690 WeakPolarHBondContact CB-SG 3.29Å; C678-C690 WeakPolarHBondContact SG-CB 3.31Å; C678-C690 CovalentContact SG-SG 2.04Å; C678-C690 PolarHBondContact SG-SG 3.23Å; Y681-C690 HydrophobicContact CD2-CB 3.72Å; Y681-C690 HydrophobicContact CE2-CB 3.99Å; E686-C690 WeakPolarHBondContact O-CB 3.45Å; E686-C690 PolarHBondContact O-N 3.3Å; L687-C690 WeakPolarHBondContact O-CB 3.35Å; L687-C690 PolarHBondContact O-N 3.09Å; Q688-C690 PolarHBondContact O-N 2.73Å; C690-H692 PolarHBondContact O-N 3.06Å; C690-V693 PolarHBondContact O-N 2.97Å; C690-V694 WeakPolarHBondContact O-CG2 3.38Å; C690-V694 PolarHBondContact O-N 3.36Å
691	Y	87.5	Confident	84.5	Confident	66 Å²	66	54.6 Å²	54.6	26%	0.259	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-42	176.6	-67.3	-37.7	0	0	0	112.8	R675 C678 L687 Q688 Q689 V693 V694 E695	R675-Y691 HydrophobicContact CG-CD1 3.71Å; R675-Y691 HydrophobicContact CG-CE1 3.51Å; R675-Y691 VanDerWaalsContact NE-CD1 3.29Å; R675-Y691 VanDerWaalsContact NE-CE1 3.26Å; C678-Y691 HydrophobicContact CB-CD1 3.98Å; C678-Y691 HydrophobicContact CB-CE1 3.62Å; L687-Y691 HydrophobicContact CD1-CE1 4.49Å; L687-Y691 HydrophobicContact CD1-CE2 3.98Å; L687-Y691 HydrophobicContact CD2-CE2 4.35Å; L687-Y691 HydrophobicContact CG-CD2 4.43Å; L687-Y691 HydrophobicContact CG-CE2 3.76Å; L687-Y691 WeakPolarHBondContact O-CD2 3.5Å; L687-Y691 PolarHBondContact O-N 3.29Å; Q688-Y691 PolarHBondContact O-N 3Å; Q689-Y691 VanDerWaalsContact C-N 3.33Å; Q689-Y691 PolarHBondContact O-N 2.91Å; Y691-V693 VanDerWaalsContact C-N 3.34Å; Y691-V693 PolarHBondContact O-N 3.4Å; Y691-V694 PolarHBondContact O-N 3.45Å; Y691-E695 WeakPolarHBondContact O-CB 3.41Å; Y691-E695 PolarHBondContact O-N 2.96Å
692	H	87.2	Confident	84.3	Confident	90 Å²	90	56.2 Å²	56.2	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-34.4	173.1	-72.5	-52.2	0	0	0	113	Q688 Q689 C690 E695 K696 I719	Q688-H692 PolarHBondContact O-CD2 2.66Å; Q688-H692 PolarHBondContact O-N 3.43Å; Q688-H692 VanDerWaalsContact O-N 3.1Å; Q689-H692 PolarHBondContact O-N 2.78Å; C690-H692 PolarHBondContact O-N 3.06Å; H692-E695 IonicContact ND1-OE2 3.39Å; H692-E695 PolarHBondContact ND1-OE2 3.21Å; H692-E695 PolarHBondContact O-N 2.78Å; H692-K696 WeakPolarHBondContact O-CB 3.17Å; H692-K696 WeakPolarHBondContact O-CG 3.18Å; H692-K696 PolarHBondContact O-N 3.4Å; H692-I719 HydrophobicContact CB-CB 4.45Å; H692-I719 HydrophobicContact CB-CG2 4.34Å
693	V	89.1	Confident	84.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-41.6	174.6	172.3	0	0	0	0	111.5	C654 M657 W661 Q689 C690 Y691 A697 L700 I719	C654-V693 HydrophobicContact CB-CG2 3.45Å; C654-V693 VanDerWaalsContact CB-CG2 3.45Å; M657-V693 HydrophobicContact CB-CG1 3.8Å; M657-V693 HydrophobicContact CE-CG1 3.98Å; M657-V693 HydrophobicContact CG-CG1 4.38Å; M657-V693 HydrophobicContact SD-CB 4.11Å; M657-V693 HydrophobicContact SD-CG1 3.73Å; W661-V693 HydrophobicContact CH2-CG1 3.69Å; W661-V693 HydrophobicContact CZ3-CG1 3.68Å; Q689-V693 HydrophobicContact CG-CG2 4.3Å; Q689-V693 WeakPolarHBondContact O-CG2 3.24Å; Q689-V693 PolarHBondContact O-N 2.59Å; C690-V693 PolarHBondContact O-N 2.97Å; Y691-V693 VanDerWaalsContact C-N 3.34Å; Y691-V693 PolarHBondContact O-N 3.4Å; V693-A697 WeakPolarHBondContact O-CA 3.44Å; V693-A697 WeakPolarHBondContact O-CB 3.45Å; V693-A697 PolarHBondContact O-N 2.99Å; V693-L700 HydrophobicContact CB-CD1 4.39Å; V693-L700 HydrophobicContact CG1-CD1 3.9Å; V693-I719 HydrophobicContact CG2-CD1 3.85Å; V693-I719 HydrophobicContact CG2-CG2 4.41Å
694	V	83.7	Confident	84.9	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-40.3	173.3	170.7	0	0	0	0	111.5	M657 W661 I673 C690 Y691 A697	M657-V694 HydrophobicContact CE-CG2 3.9Å; W661-V694 HydrophobicContact CH2-CG2 4.42Å; W661-V694 HydrophobicContact CZ2-CG2 4.43Å; I673-V694 HydrophobicContact CG2-CG1 4.09Å; C690-V694 WeakPolarHBondContact O-CG2 3.38Å; C690-V694 PolarHBondContact O-N 3.36Å; Y691-V694 PolarHBondContact O-N 3.45Å; V694-A697 WeakPolarHBondContact O-CB 3.19Å; V694-A697 PolarHBondContact O-N 3.28Å
695	E	83.1	Confident	84.8	Confident	86 Å²	86	49.2 Å²	49.2	40%	0.402	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-43.5	177	-165.7	-147.4	141.5	0	0	112.2	Y691 H692	Y691-E695 WeakPolarHBondContact O-CB 3.41Å; Y691-E695 PolarHBondContact O-N 2.96Å; H692-E695 IonicContact ND1-OE2 3.39Å; H692-E695 PolarHBondContact ND1-OE2 3.21Å; H692-E695 PolarHBondContact O-N 2.78Å
696	K	87.3	Confident	84.7	Confident	75 Å²	75	47.6 Å²	47.6	33%	0.326	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	8.5	179.8	-53.1	-50	-174.8	-164.3	0	114	H692 G698 V699 L700 T718 I719	H692-K696 WeakPolarHBondContact O-CB 3.17Å; H692-K696 WeakPolarHBondContact O-CG 3.18Å; H692-K696 PolarHBondContact O-N 3.4Å; K696-G698 PolarHBondContact O-N 2.74Å; K696-V699 PolarHBondContact O-N 3.23Å; K696-L700 HydrophobicContact CB-CD1 4.45Å; K696-L700 HydrophobicContact CB-CG 4.46Å; K696-L700 PolarHBondContact O-N 2.94Å; K696-L700 VanDerWaalsContact O-N 3.1Å; K696-T718 HydrophobicContact CB-CG2 3.97Å; K696-T718 HydrophobicContact CG-CG2 4.44Å; K696-I719 HydrophobicContact CB-CG2 4.06Å; K696-I719 HydrophobicContact CG-CG2 3.92Å
697	A	84.2	Confident	84.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-50.9	-40.2	-167.6	0	0	0	0	0	113.8	W661 I673 V693 V694 L701	W661-A697 HydrophobicContact CE3-CB 4.38Å; W661-A697 HydrophobicContact CH2-CB 3.5Å; W661-A697 HydrophobicContact CZ2-CB 4.42Å; W661-A697 HydrophobicContact CZ3-CB 3.48Å; W661-A697 VanDerWaalsContact CZ3-CB 3.48Å; I673-A697 HydrophobicContact CD1-CB 3.84Å; I673-A697 HydrophobicContact CG1-CB 4.3Å; I673-A697 HydrophobicContact CG2-CB 3.97Å; V693-A697 WeakPolarHBondContact O-CA 3.44Å; V693-A697 WeakPolarHBondContact O-CB 3.45Å; V693-A697 PolarHBondContact O-N 2.99Å; V694-A697 WeakPolarHBondContact O-CB 3.19Å; V694-A697 PolarHBondContact O-N 3.28Å; A697-L701 WeakPolarHBondContact O-CB 3.48Å; A697-L701 WeakPolarHBondContact O-CG 3.45Å; A697-L701 PolarHBondContact O-N 3.48Å
698	G	74.8	Confident	84.4	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-40.3	179.2	0	0	0	0	0	114.6	K696 L701 I702	K696-G698 PolarHBondContact O-N 2.74Å; G698-L701 PolarHBondContact O-N 3.13Å; G698-I702 PolarHBondContact O-N 2.97Å
699	V	83.8	Confident	84.1	Confident	40 Å²	40	52 Å²	52	24%	0.242	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-40.2	179.2	-178.4	0	0	0	0	109.8	K696 R703 T718 F755	K696-V699 PolarHBondContact O-N 3.23Å; V699-R703 HydrophobicContact CG1-CG 4.48Å; V699-R703 WeakPolarHBondContact O-CB 3.37Å; V699-R703 VanDerWaalsContact O-CG 3.28Å; V699-R703 WeakPolarHBondContact O-CG 3.33Å; V699-R703 PolarHBondContact O-N 3.21Å; V699-R703 VanDerWaalsContact O-N 3.11Å; V699-T718 HydrophobicContact CB-CG2 3.97Å; V699-T718 HydrophobicContact CG1-CG2 3.71Å; V699-F755 HydrophobicContact CB-CZ 4.33Å; V699-F755 HydrophobicContact CG2-CD1 4.44Å; V699-F755 HydrophobicContact CG2-CE1 3.68Å; V699-F755 HydrophobicContact CG2-CE2 4.41Å; V699-F755 HydrophobicContact CG2-CZ 3.66Å
700	L	87	Confident	83.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-49.5	172.1	-68.6	171.7	0	0	0	111.3	T658 V693 K696 S704 I714 T718 I719	T658-L700 HydrophobicContact CG2-CB 4.3Å; V693-L700 HydrophobicContact CB-CD1 4.39Å; V693-L700 HydrophobicContact CG1-CD1 3.9Å; K696-L700 HydrophobicContact CB-CD1 4.45Å; K696-L700 HydrophobicContact CB-CG 4.46Å; K696-L700 PolarHBondContact O-N 2.94Å; K696-L700 VanDerWaalsContact O-N 3.1Å; L700-S704 WeakPolarHBondContact O-CB 3.45Å; L700-S704 PolarHBondContact O-N 3.33Å; L700-S704 PolarHBondContact O-OG 3.46Å; L700-I714 HydrophobicContact CD2-CG2 4.14Å; L700-T718 HydrophobicContact CD2-CG2 3.83Å; L700-T718 HydrophobicContact CG-CG2 4.04Å; L700-I719 HydrophobicContact CD1-CG2 4.4Å
701	L	81.9	Confident	83.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-42.8	-177.6	-83.8	165.3	0	0	0	113.6	W661 L662 W665 P671 I673 A697 G698 R705	W661-L701 HydrophobicContact CB-CD1 4.42Å; W661-L701 HydrophobicContact CB-CD2 3.81Å; W661-L701 HydrophobicContact CB-CG 4.44Å; W661-L701 HydrophobicContact CE3-CD1 4.28Å; W661-L701 HydrophobicContact CE3-CG 4.37Å; L662-L701 HydrophobicContact CD2-CD2 4.34Å; W665-L701 HydrophobicContact CE3-CD1 4.2Å; W665-L701 HydrophobicContact CE3-CD2 4.02Å; W665-L701 HydrophobicContact CZ3-CB 4.41Å; W665-L701 HydrophobicContact CZ3-CD1 4.09Å; P671-L701 HydrophobicContact CG-CD1 3.6Å; P671-L701 HydrophobicContact CG-CD2 4.46Å; I673-L701 HydrophobicContact CD1-CD1 3.84Å; A697-L701 WeakPolarHBondContact O-CB 3.48Å; A697-L701 WeakPolarHBondContact O-CG 3.45Å; A697-L701 PolarHBondContact O-N 3.48Å; G698-L701 PolarHBondContact O-N 3.13Å; L701-R705 VanDerWaalsContact O-CB 3.26Å; L701-R705 WeakPolarHBondContact O-CB 3.23Å; L701-R705 VanDerWaalsContact O-CG 3.22Å; L701-R705 WeakPolarHBondContact O-CG 3.35Å; L701-R705 PolarHBondContact O-N 3.19Å
702	I	76.4	Confident	83.6	Confident	79 Å²	79	55.7 Å²	55.7	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-67.4	-46.8	179	-76.4	166.7	0	0	0	110.5	G698 S704 R705 S706 F755	G698-I702 PolarHBondContact O-N 2.97Å; I702-S704 PolarHBondContact O-N 2.95Å; I702-R705 PolarHBondContact O-N 3.42Å; I702-S706 PolarHBondContact O-N 3.38Å; I702-S706 PolarHBondContact O-OG 2.91Å; I702-F755 HydrophobicContact CB-CE2 4.48Å; I702-F755 HydrophobicContact CD1-CD2 4.45Å; I702-F755 HydrophobicContact CD1-CE2 3.48Å; I702-F755 VanDerWaalsContact CD1-CE2 3.48Å; I702-F755 HydrophobicContact CD1-CZ 3.78Å
703	R	86.2	Confident	83.6	Confident	116 Å²	116	55.7 Å²	55.7	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176.3	-70.7	175.7	176	173.4	-4.6	112	V699 R705 S706 D707 I714 T718	V699-R703 HydrophobicContact CG1-CG 4.48Å; V699-R703 WeakPolarHBondContact O-CB 3.37Å; V699-R703 VanDerWaalsContact O-CG 3.28Å; V699-R703 WeakPolarHBondContact O-CG 3.33Å; V699-R703 PolarHBondContact O-N 3.21Å; V699-R703 VanDerWaalsContact O-N 3.11Å; R703-R705 VanDerWaalsContact C-N 3.35Å; R703-R705 PolarHBondContact O-N 2.93Å; R703-S706 PolarHBondContact O-N 3.14Å; R703-S706 PolarHBondContact O-OG 2.04Å; R703-D707 PolarHBondContact O-N 3.46Å; R703-I714 HydrophobicContact CB-CD1 4.16Å; R703-I714 HydrophobicContact CB-CG1 4.29Å; R703-I714 HydrophobicContact CB-CG2 3.63Å; R703-T718 PolarHBondContact NH1-OG1 3.15Å
704	S	86.7	Confident	83.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-77.5	-18.2	-176.5	-51.1	0	0	0	0	113.5	T658 L700 I702 D707 R708	T658-S704 WeakPolarHBondContact CG2-OG 3.38Å; L700-S704 WeakPolarHBondContact O-CB 3.45Å; L700-S704 PolarHBondContact O-N 3.33Å; L700-S704 PolarHBondContact O-OG 3.46Å; I702-S704 PolarHBondContact O-N 2.95Å; S704-D707 CarbonylContact O-C 3.57Å; S704-R708 WeakPolarHBondContact O-CG 3.48Å; S704-R708 PolarHBondContact O-N 3.25Å
705	R	81.7	Confident	84	Confident	118 Å²	118	56.1 Å²	56.1	45%	0.445	28%	0.278	S	S	.	.	H	α-helix	trans	-74.1	-34.1	167	-79.1	-177.5	71.1	-160.2	-1.4	112	L662 L701 I702 R703	L662-R705 HydrophobicContact CD2-CB 4.4Å; L662-R705 HydrophobicContact CD2-CG 3.5Å; L701-R705 VanDerWaalsContact O-CB 3.26Å; L701-R705 WeakPolarHBondContact O-CB 3.23Å; L701-R705 VanDerWaalsContact O-CG 3.22Å; L701-R705 WeakPolarHBondContact O-CG 3.35Å; L701-R705 PolarHBondContact O-N 3.19Å; I702-R705 PolarHBondContact O-N 3.42Å; R703-R705 VanDerWaalsContact C-N 3.35Å; R703-R705 PolarHBondContact O-N 2.93Å
706	S	80.3	Confident	84.4	Confident	104 Å²	104	53.3 Å²	53.3	73%	0.727	27%	0.269	S	S	*	.	H	α-helix	trans	-76.4	-31.6	172.3	46	0	0	0	0	113.8	I702 R703	I702-S706 PolarHBondContact O-N 3.38Å; I702-S706 PolarHBondContact O-OG 2.91Å; R703-S706 PolarHBondContact O-N 3.14Å; R703-S706 PolarHBondContact O-OG 2.04Å
707	D	81.7	Confident	84.5	Confident	50 Å²	50	58.3 Å²	58.3	27%	0.267	29%	0.286	S	S	.	.			trans	-139.1	92	179.9	-177.9	-8.9	0	0	0	110.4	R703 S704 S709 N710 I714	R703-D707 PolarHBondContact O-N 3.46Å; S704-D707 CarbonylContact O-C 3.57Å; D707-S709 VanDerWaalsContact C-N 3.3Å; D707-S709 WeakPolarHBondContact OD1-CB 3.44Å; D707-S709 PolarHBondContact OD1-N 3.05Å; D707-S709 VanDerWaalsContact OD1-N 3.1Å; D707-S709 PolarHBondContact OD1-OG 3.41Å; D707-N710 PolarHBondContact OD1-N 3Å; D707-N710 PolarHBondContact OD1-ND2 3.41Å; D707-N710 WeakPolarHBondContact OD2-CB 3.33Å; D707-N710 PolarHBondContact OD2-ND2 3.38Å; D707-I714 HydrophobicContact CB-CD1 4.2Å; D707-I714 VanDerWaalsContact O-CD1 3.29Å; D707-I714 WeakPolarHBondContact O-CD1 3.5Å
708	R	82.6	Confident	84.7	Confident	127 Å²	127	59.2 Å²	59.2	48%	0.479	29%	0.292	S	S	.	.	S	Bend	trans	-76.8	-17.2	177.4	-65.1	179.7	178.1	-134.9	-4	113.2	L662 D666 S704 V711	L662-R708 HydrophobicContact CD1-CG 4.27Å; D666-R708 VanDerWaalsContact CG-NH2 3.27Å; D666-R708 IonicContact OD1-CZ 3.58Å; D666-R708 IonicContact OD1-NH1 2.68Å; D666-R708 IonicContact OD1-NH2 3.96Å; D666-R708 PolarHBondContact OD1-NH2 3.28Å; D666-R708 IonicContact OD2-CZ 3.18Å; D666-R708 VanDerWaalsContact OD2-CZ 3.28Å; D666-R708 IonicContact OD2-NH1 3.81Å; D666-R708 PolarHBondContact OD2-NH1 3.39Å; D666-R708 IonicContact OD2-NH2 3.77Å; D666-R708 PolarHBondContact OD2-NH2 3.09Å; S704-R708 WeakPolarHBondContact O-CG 3.48Å; S704-R708 PolarHBondContact O-N 3.25Å; R708-V711 WeakPolarHBondContact O-CG2 3.36Å
709	S	79.2	Confident	85.3	Confident	105 Å²	105	60.3 Å²	60.3	73%	0.734	30%	0.297	S	S	*	.	S	Bend	trans	-71.9	-40.3	178.4	16	0	0	0	0	111.9	D707	D707-S709 VanDerWaalsContact C-N 3.3Å; D707-S709 WeakPolarHBondContact OD1-CB 3.44Å; D707-S709 PolarHBondContact OD1-N 3.05Å; D707-S709 VanDerWaalsContact OD1-N 3.1Å; D707-S709 PolarHBondContact OD1-OG 3.41Å
710	N	84.6	Confident	85.5	Confident	58 Å²	58	64.5 Å²	64.5	31%	0.31	32%	0.318	S	S	.	.			trans	-104.8	29.4	-169.9	-64.6	-58.7	0	0	0	114.4	D707 E712 Q713 I714	D707-N710 PolarHBondContact OD1-N 3Å; D707-N710 PolarHBondContact OD1-ND2 3.41Å; D707-N710 WeakPolarHBondContact OD2-CB 3.33Å; D707-N710 PolarHBondContact OD2-ND2 3.38Å; N710-E712 PolarHBondContact O-N 3.41Å; N710-E712 VanDerWaalsContact O-N 3.1Å; N710-Q713 HydrophobicContact CB-CB 4.31Å; N710-Q713 PolarHBondContact O-N 2.63Å; N710-I714 WeakPolarHBondContact O-CG1 3.36Å; N710-I714 PolarHBondContact O-N 3.16Å
711	V	86.7	Confident	85.2	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-49.5	-39.2	179.5	176.1	0	0	0	0	112.5	V655 T658 L662 R708 I714 C715	V655-V711 HydrophobicContact CG1-CG1 4.43Å; T658-V711 HydrophobicContact CG2-CG1 4Å; L662-V711 HydrophobicContact CD1-CG2 4.19Å; R708-V711 WeakPolarHBondContact O-CG2 3.36Å; V711-I714 PolarHBondContact O-N 3.09Å; V711-C715 WeakPolarHBondContact O-CB 3.14Å; V711-C715 PolarHBondContact O-N 3.02Å; V711-C715 PolarHBondContact O-SG 2.87Å
712	E	87.3	Confident	84.7	Confident	104 Å²	104	66.8 Å²	66.8	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-41.7	177	-174.4	166.3	-146	0	0	113.2	S649 V655 N710 I714 C715 A716	S649-E712 WeakPolarHBondContact CB-OE1 3.36Å; S649-E712 PolarHBondContact OG-OE1 3.36Å; V655-E712 HydrophobicContact CG2-CB 3.94Å; V655-E712 HydrophobicContact CG2-CG 4.13Å; N710-E712 PolarHBondContact O-N 3.41Å; N710-E712 VanDerWaalsContact O-N 3.1Å; E712-I714 VanDerWaalsContact C-N 3.34Å; E712-C715 WeakPolarHBondContact O-CB 3.43Å; E712-C715 PolarHBondContact O-N 3.12Å; E712-A716 WeakPolarHBondContact O-CB 3.22Å; E712-A716 PolarHBondContact O-N 3.15Å
713	Q	87.1	Confident	83.5	Confident	89 Å²	89	68.4 Å²	68.4	42%	0.416	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-35.7	173.6	-61.4	-168.4	15.5	0	0	111.8	N710 A716 R717	N710-Q713 HydrophobicContact CB-CB 4.31Å; N710-Q713 PolarHBondContact O-N 2.63Å; Q713-A716 PolarHBondContact O-N 2.8Å; Q713-R717 WeakPolarHBondContact O-CB 3.39Å; Q713-R717 WeakPolarHBondContact O-CG 3.42Å; Q713-R717 PolarHBondContact O-N 3.16Å; Q713-R717 VanDerWaalsContact OE1-NH1 3.1Å
714	I	89.3	Confident	81.2	Confident	14 Å²	14	68.2 Å²	68.2	7%	0.072	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176.2	-67.5	163.8	0	0	0	109.6	L700 R703 D707 N710 V711 E712 T718	L700-I714 HydrophobicContact CD2-CG2 4.14Å; R703-I714 HydrophobicContact CB-CD1 4.16Å; R703-I714 HydrophobicContact CB-CG1 4.29Å; R703-I714 HydrophobicContact CB-CG2 3.63Å; D707-I714 HydrophobicContact CB-CD1 4.2Å; D707-I714 VanDerWaalsContact O-CD1 3.29Å; D707-I714 WeakPolarHBondContact O-CD1 3.5Å; N710-I714 WeakPolarHBondContact O-CG1 3.36Å; N710-I714 PolarHBondContact O-N 3.16Å; V711-I714 PolarHBondContact O-N 3.09Å; E712-I714 VanDerWaalsContact C-N 3.34Å; I714-T718 WeakPolarHBondContact O-CB 3.38Å; I714-T718 PolarHBondContact O-N 3.05Å; I714-T718 PolarHBondContact O-OG1 3.19Å
715	C	92.7	Very high	78.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-58.2	-54.8	171.2	-82.1	0	0	0	0	112	C651 C654 V655 V711 E712 R717 T718 I719 C721	C651-C715 HydrophobicContact CB-CB 4.25Å; C654-C715 HydrophobicContact CB-CB 3.66Å; C654-C715 WeakPolarHBondContact CB-SG 3.32Å; C654-C715 PolarHBondContact O-SG 2.8Å; C654-C715 WeakPolarHBondContact SG-CA 3.25Å; C654-C715 WeakPolarHBondContact SG-CB 3.33Å; C654-C715 CovalentContact SG-SG 2.03Å; C654-C715 PolarHBondContact SG-SG 3.42Å; V655-C715 HydrophobicContact CG2-CB 4.33Å; V711-C715 WeakPolarHBondContact O-CB 3.14Å; V711-C715 PolarHBondContact O-N 3.02Å; V711-C715 PolarHBondContact O-SG 2.87Å; E712-C715 WeakPolarHBondContact O-CB 3.43Å; E712-C715 PolarHBondContact O-N 3.12Å; C715-R717 VanDerWaalsContact C-N 3.32Å; C715-R717 PolarHBondContact O-N 3.08Å; C715-T718 PolarHBondContact O-N 3.18Å; C715-I719 VanDerWaalsContact O-CG1 3.23Å; C715-I719 WeakPolarHBondContact O-CG1 3.45Å; C715-I719 PolarHBondContact O-N 3.32Å; C715-C721 VanDerWaalsContact C-SG 3.54Å
716	A	91	Very high	76.4	Confident	27 Å²	27	79.3 Å²	79.3	22%	0.223	42%	0.424	C	S	.	.	H	α-helix	trans	-52.3	-48.1	178.9	0	0	0	0	0	112.3	E712 Q713 T718 N720 C721 A722	E712-A716 WeakPolarHBondContact O-CB 3.22Å; E712-A716 PolarHBondContact O-N 3.15Å; Q713-A716 PolarHBondContact O-N 2.8Å; A716-T718 PolarHBondContact O-N 3.08Å; A716-N720 VanDerWaalsContact O-CA 3.24Å; A716-N720 WeakPolarHBondContact O-CA 3.46Å; A716-N720 PolarHBondContact O-N 3.18Å; A716-N720 VanDerWaalsContact O-N 3.13Å; A716-C721 VanDerWaalsContact CA-SG 3.6Å; A716-A722 HydrophobicContact CB-CB 4.18Å
717	R	88.9	Confident	74.1	Confident	181 Å²	181	77.7 Å²	77.7	68%	0.683	42%	0.424	S	S	*	.	H	α-helix	trans	-76.1	-16.5	179.9	-67	178.9	-175.7	128.6	8.6	115.1	Q713 C715	Q713-R717 WeakPolarHBondContact O-CB 3.39Å; Q713-R717 WeakPolarHBondContact O-CG 3.42Å; Q713-R717 PolarHBondContact O-N 3.16Å; Q713-R717 VanDerWaalsContact OE1-NH1 3.1Å; C715-R717 VanDerWaalsContact C-N 3.32Å; C715-R717 PolarHBondContact O-N 3.08Å
718	T	88.4	Confident	71.7	Confident	19 Å²	19	83.9 Å²	83.9	12%	0.117	45%	0.452	C	S	.	.	H	α-helix	trans	-106.5	-29.2	-172.8	-51	0	0	0	0	113.3	K696 V699 L700 R703 I714 C715 A716	K696-T718 HydrophobicContact CB-CG2 3.97Å; K696-T718 HydrophobicContact CG-CG2 4.44Å; V699-T718 HydrophobicContact CB-CG2 3.97Å; V699-T718 HydrophobicContact CG1-CG2 3.71Å; L700-T718 HydrophobicContact CD2-CG2 3.83Å; L700-T718 HydrophobicContact CG-CG2 4.04Å; R703-T718 PolarHBondContact NH1-OG1 3.15Å; I714-T718 WeakPolarHBondContact O-CB 3.38Å; I714-T718 PolarHBondContact O-N 3.05Å; I714-T718 PolarHBondContact O-OG1 3.19Å; C715-T718 PolarHBondContact O-N 3.18Å; A716-T718 PolarHBondContact O-N 3.08Å
719	I	88.3	Confident	69.2	Low	24 Å²	24	84.3 Å²	84.3	12%	0.123	46%	0.464	C	S	.	.	H	α-helix	trans	-120.7	8.2	176.1	64.3	147.1	0	0	0	113.9	C654 Q689 H692 V693 K696 L700 C715 C721	C654-I719 HydrophobicContact CB-CD1 3.58Å; C654-I719 HydrophobicContact CB-CG1 4.24Å; Q689-I719 HydrophobicContact CG-CD1 3.64Å; H692-I719 HydrophobicContact CB-CB 4.45Å; H692-I719 HydrophobicContact CB-CG2 4.34Å; V693-I719 HydrophobicContact CG2-CD1 3.85Å; V693-I719 HydrophobicContact CG2-CG2 4.41Å; K696-I719 HydrophobicContact CB-CG2 4.06Å; K696-I719 HydrophobicContact CG-CG2 3.92Å; L700-I719 HydrophobicContact CD1-CG2 4.4Å; C715-I719 VanDerWaalsContact O-CG1 3.23Å; C715-I719 WeakPolarHBondContact O-CG1 3.45Å; C715-I719 PolarHBondContact O-N 3.32Å; I719-C721 VanDerWaalsContact C-N 3.26Å; I719-C721 HydrophobicContact CD1-CB 3.56Å; I719-C721 HydrophobicContact CG1-CB 3.85Å; I719-C721 VanDerWaalsContact CG1-SG 3.51Å; I719-C721 PolarHBondContact O-N 3.43Å
720	N	87	Confident	66.8	Low	128 Å²	128	88.9 Å²	88.9	68%	0.684	47%	0.473	S	S	*	.			trans	53	37.3	178.8	-158.4	30.4	0	0	0	114.7	A716 A722	A716-N720 VanDerWaalsContact O-CA 3.24Å; A716-N720 WeakPolarHBondContact O-CA 3.46Å; A716-N720 PolarHBondContact O-N 3.18Å; A716-N720 VanDerWaalsContact O-N 3.13Å; N720-A722 VanDerWaalsContact C-N 3.31Å; N720-A722 PolarHBondContact O-N 3.31Å
721	C	82.4	Confident	64.2	Low	17 Å²	17	93.3 Å²	93.3	12%	0.115	49%	0.492	C	S	.	.			trans	-82.4	2.2	-173.5	50.5	0	0	0	0	115.2	P650 C651 C715 A716 I719	P650-C721 CarbonylContact C-O 3.5Å; P650-C721 WeakPolarHBondContact CB-O 3.38Å; P650-C721 WeakPolarHBondContact CG-O 3.24Å; C651-C721 VanDerWaalsContact CA-SG 3.51Å; C651-C721 HydrophobicContact CB-CB 3.95Å; C651-C721 WeakPolarHBondContact CB-SG 3.38Å; C651-C721 VanDerWaalsContact SG-C 3.52Å; C651-C721 WeakPolarHBondContact SG-CB 3.32Å; C651-C721 CovalentContact SG-SG 2.03Å; C651-C721 PolarHBondContact SG-SG 3.04Å; C715-C721 VanDerWaalsContact C-SG 3.54Å; A716-C721 VanDerWaalsContact CA-SG 3.6Å; I719-C721 VanDerWaalsContact C-N 3.26Å; I719-C721 HydrophobicContact CD1-CB 3.56Å; I719-C721 HydrophobicContact CG1-CB 3.85Å; I719-C721 VanDerWaalsContact CG1-SG 3.51Å; I719-C721 PolarHBondContact O-N 3.43Å
722	A	70.7	Confident	61.4	Low	31 Å²	31	100.5 Å²	100.5	26%	0.256	52%	0.523	S	S	.	.	S	Bend	trans	-128.3	136.6	177.4	0	0	0	0	0	109.9	P650 A716 N720 V724	P650-A722 HydrophobicContact CG-CB 4.2Å; A716-A722 HydrophobicContact CB-CB 4.18Å; N720-A722 VanDerWaalsContact C-N 3.31Å; N720-A722 PolarHBondContact O-N 3.31Å; A722-V724 PolarHBondContact O-N 3.47Å
723	S	51.9	Low	58.6	Low	113 Å²	113	100.5 Å²	100.5	79%	0.79	53%	0.534	S	S	*	.			trans	-63.1	103.1	165.8	56	0	0	0	0	108.5	K725	S723-K725 PolarHBondContact O-N 2.9Å
724	V	38.1	Very low	56	Low	113 Å²	113	102.9 Å²	102.9	69%	0.685	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-53.8	127	172.4	179.1	0	0	0	0	107.6	A722	A722-V724 PolarHBondContact O-N 3.47Å
725	K	37.7	Very low	53.1	Low	193 Å²	193	105.1 Å²	105.1	84%	0.839	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-83.1	124.7	165.7	-74.1	-171.7	174.1	-174.4	0	107.2	S723	S723-K725 PolarHBondContact O-N 2.9Å
726	D	29.2	Very low	50.1	Low	157 Å²	157	109.5 Å²	109.5	84%	0.84	58%	0.582	S	S	*	*	S	Bend	trans	-59.8	142.6	-176.5	-47.5	-72.7	0	0	0	111.2
727	G	31.8	Very low	47.3	Very low	70 Å²	70	115 Å²	115	72%	0.722	61%	0.608	S	S	*	*			trans	116.2	52.5	177.1	0	0	0	0	0	116.1
728	E	32.1	Very low	44.7	Very low	181 Å²	181	113.3 Å²	113.3	85%	0.846	61%	0.606	S	S	*	*	S	Bend		-172	115.1	128.5	-103.7	166.3	-154.6	0	0	112.1
729	N	29.1	Very low	41.9	Very low	136 Å²	136	116.1 Å²	116.1	73%	0.727	63%	0.626	S	S	*	*			trans	65.8	70.9	163.5	-57.6	-35.2	0	0	0	119.2	Q731	N729-Q731 PolarHBondContact O-N 3.27Å
730	E	28.9	Very low	39.3	Very low	200 Å²	200	120.4 Å²	120.4	94%	0.935	65%	0.653	S	S	*	*	S	Bend	trans	-64.6	60.6	150.6	-64.2	-177.7	107.3	0	0	112.2
731	Q	30.1	Very low	36.7	Very low	151 Å²	151	120.9 Å²	120.9	71%	0.706	66%	0.655	S	S	*	*			trans	-148.2	20.6	178	-148.4	159.2	20.9	0	0	115.6	N729 T735	N729-Q731 PolarHBondContact O-N 3.27Å; Q731-T735 PolarHBondContact O-OG1 2.84Å
732	F	28.4	Very low	34.4	Very low	163 Å²	163	128.1 Å²	128.1	72%	0.715	69%	0.687	S	S	*	*	S	Bend	trans	-118.3	-10.3	179.6	-140.3	-97.4	0	0	0	115	I736	F732-I736 HydrophobicContact CD1-CD1 4.14Å; F732-I736 HydrophobicContact CE1-CD1 4.05Å; F732-I736 HydrophobicContact CE1-CG1 4.4Å
733	S	28.7	Very low	32.7	Very low	104 Å²	104	132 Å²	132	73%	0.727	70%	0.704	S	S	*	*	S	Bend	trans	-83.7	-32.9	178.8	46	0	0	0	0	114
734	E	31.1	Very low	31.8	Very low	138 Å²	138	132 Å²	132	65%	0.645	70%	0.701	S	S	*	*	S	Bend	trans	-96.8	-8	178.4	-63.6	-160.8	149.3	0	0	114.5
735	T	29.4	Very low	31.9	Very low	61 Å²	61	133.5 Å²	133.5	37%	0.374	71%	0.705	S	S	.	*	S	Bend	trans	-88.2	-25.2	-169.6	-50.6	0	0	0	0	112.3	Q731 K738 S739	Q731-T735 PolarHBondContact O-OG1 2.84Å; T735-K738 PolarHBondContact O-N 3.3Å; T735-S739 PolarHBondContact O-N 2.94Å; T735-S739 PolarHBondContact O-OG 2.65Å
736	I	29.5	Very low	32	Very low	92 Å²	92	133.2 Å²	133.2	47%	0.472	70%	0.704	S	S	.	*	H	α-helix	trans	-68.3	-36.7	-179.1	-63.3	176.2	0	0	0	111.4	F732 K738 V740	F732-I736 HydrophobicContact CD1-CD1 4.14Å; F732-I736 HydrophobicContact CE1-CD1 4.05Å; F732-I736 HydrophobicContact CE1-CG1 4.4Å; I736-K738 PolarHBondContact O-N 3.27Å; I736-K738 VanDerWaalsContact O-N 3.13Å; I736-V740 WeakPolarHBondContact O-CG2 3.23Å
737	D	31.7	Very low	32	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	70%	0.699	S	S	*	*	H	α-helix	trans	-71.4	-1.6	175.3	-72.2	-32.8	0	0	0	113.9
738	K	34.1	Very low	32.1	Very low	146 Å²	146	132.7 Å²	132.7	64%	0.635	69%	0.69	S	S	*	*	H	α-helix	trans	-118.5	-32.4	179.3	-70.4	168.4	-175.1	156.7	0	113.3	T735 I736 V740	T735-K738 PolarHBondContact O-N 3.3Å; I736-K738 PolarHBondContact O-N 3.27Å; I736-K738 VanDerWaalsContact O-N 3.13Å; K738-V740 VanDerWaalsContact C-N 3.28Å; K738-V740 PolarHBondContact O-N 2.94Å
739	S	30.5	Very low	32.1	Very low	77 Å²	77	129.5 Å²	129.5	54%	0.538	69%	0.685	S	S	.	*	H	α-helix	trans	-74.1	-11.7	-179.4	59.4	0	0	0	0	115	T735 N741	T735-S739 PolarHBondContact O-N 2.94Å; T735-S739 PolarHBondContact O-OG 2.65Å; S739-N741 PolarHBondContact O-N 3.38Å
740	V	33	Very low	32.3	Very low	114 Å²	114	131.7 Å²	131.7	69%	0.691	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-13.2	-177.4	166.8	0	0	0	0	113.8	I736 K738	I736-V740 WeakPolarHBondContact O-CG2 3.23Å; K738-V740 VanDerWaalsContact C-N 3.28Å; K738-V740 PolarHBondContact O-N 2.94Å
741	N	32.7	Very low	32.4	Very low	139 Å²	139	125 Å²	125	74%	0.743	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-6.2	-170.9	-74.4	-41	0	0	0	117	S739	S739-N741 PolarHBondContact O-N 3.38Å
742	E	32.9	Very low	32.5	Very low	168 Å²	168	125.9 Å²	125.9	79%	0.785	68%	0.676	S	S	*	*	S	Bend	trans	-121.8	-5.5	-164.6	-66	-164.3	149.2	0	0	118.1
743	N	35.4	Very low	32.8	Very low	114 Å²	114	125.8 Å²	125.8	61%	0.61	67%	0.672	S	S	*	*			trans	-160.2	103.3	166.5	-132.4	-93.9	0	0	0	114.4
744	P	32.7	Very low	33.8	Very low	111 Å²	111	124.4 Å²	124.4	72%	0.721	66%	0.657	S	S	*	*	S	Bend	trans	-70.1	-33.2	179	-21.9	34.7	0	0	0	114.7	K746	P744-K746 VanDerWaalsContact C-N 3.27Å; P744-K746 PolarHBondContact O-N 2.96Å
745	D	40.1	Very low	34.2	Very low	146 Å²	146	121.4 Å²	121.4	78%	0.781	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	18	-156.4	-56.9	-40.3	0	0	0	115.5
746	K	40.3	Very low	35.2	Very low	186 Å²	186	121.3 Å²	121.3	81%	0.809	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	6.1	-173.7	-83.9	-175.1	175.3	176.8	0	116.4	P744	P744-K746 VanDerWaalsContact C-N 3.27Å; P744-K746 PolarHBondContact O-N 2.96Å
747	L	30	Very low	36.5	Very low	140 Å²	140	123.8 Å²	123.8	73%	0.733	65%	0.646	S	S	*	*	S	Bend	trans	-103.6	143	179.7	-124	63.3	0	0	0	112.9	A751	L747-A751 HydrophobicContact CB-CB 4.36Å; L747-A751 HydrophobicContact CD2-CB 3.67Å; L747-A751 HydrophobicContact CG-CB 3.94Å
748	S	33.3	Very low	37.4	Very low	77 Å²	77	119.9 Å²	119.9	54%	0.538	62%	0.624	S	S	.	*			trans	-58.9	143.5	179.8	173	0	0	0	0	111.8	F750 A751	S748-F750 PolarHBondContact O-N 2.89Å; S748-A751 WeakPolarHBondContact O-CB 3.4Å; S748-A751 PolarHBondContact O-N 3.34Å
749	P	32.5	Very low	38.1	Very low	114 Å²	114	112.9 Å²	112.9	74%	0.74	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-54.6	-18.6	-177.3	-28.9	35.9	0	0	0	116.4
750	F	32.8	Very low	39.9	Very low	181 Å²	181	110.6 Å²	110.6	79%	0.794	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-79.9	-16.5	175.8	-77.4	-85.4	0	0	0	114.4	S748 L752	S748-F750 PolarHBondContact O-N 2.89Å; F750-L752 VanDerWaalsContact C-N 3.29Å; F750-L752 PolarHBondContact O-N 3.37Å
751	A	32.3	Very low	41.2	Very low	60 Å²	60	112 Å²	112	50%	0.496	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-78.5	-7.7	-173.6	0	0	0	0	0	114.4	L747 S748	L747-A751 HydrophobicContact CB-CB 4.36Å; L747-A751 HydrophobicContact CD2-CB 3.67Å; L747-A751 HydrophobicContact CG-CB 3.94Å; S748-A751 WeakPolarHBondContact O-CB 3.4Å; S748-A751 PolarHBondContact O-N 3.34Å
752	L	30.9	Very low	42.2	Very low	169 Å²	169	108.7 Å²	108.7	89%	0.885	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-96.7	5.2	-176.4	-146.6	78.9	0	0	0	114.2	F750	F750-L752 VanDerWaalsContact C-N 3.29Å; F750-L752 PolarHBondContact O-N 3.37Å
753	Y	34.8	Very low	43.4	Very low	162 Å²	162	101.7 Å²	101.7	64%	0.635	53%	0.53	S	S	*	.	S	Bend	trans	-92.3	126.8	-176.8	-90.1	-89.5	0	0	0	113.2	F755 I758	Y753-F755 PolarHBondContact O-N 3.08Å; Y753-I758 HydrophobicContact CD1-CD1 3.76Å; Y753-I758 HydrophobicContact CD1-CG1 4.2Å; Y753-I758 HydrophobicContact CG-CD1 3.9Å
754	D	50.3	Low	44.6	Very low	75 Å²	75	98 Å²	98	40%	0.401	51%	0.512	S	S	.	.			trans	-58.1	107.6	168.4	-177.9	-31.1	0	0	0	110.3	D756 K757 I758	D754-D756 PolarHBondContact OD1-N 2.9Å; D754-K757 HydrophobicContact CB-CB 4.09Å; D754-K757 HydrophobicContact CB-CD 4.05Å; D754-K757 HydrophobicContact CB-CG 4.11Å; D754-K757 PolarHBondContact O-N 2.66Å; D754-K757 PolarHBondContact OD1-N 3.31Å; D754-K757 VanDerWaalsContact OD1-N 3.09Å; D754-K757 WeakPolarHBondContact OD2-CE 3.45Å; D754-K757 WeakPolarHBondContact OD2-CG 3.33Å; D754-K757 IonicContact OD2-NZ 3.6Å; D754-K757 PolarHBondContact OD2-NZ 3.06Å; D754-I758 PolarHBondContact O-N 3.1Å
755	F	39.6	Very low	45.7	Very low	75 Å²	75	95.1 Å²	95.1	33%	0.329	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-40.8	-171.4	-167	-79.2	0	0	0	112.5	V699 I702 Y753 K757 I758 A759	V699-F755 HydrophobicContact CB-CZ 4.33Å; V699-F755 HydrophobicContact CG2-CD1 4.44Å; V699-F755 HydrophobicContact CG2-CE1 3.68Å; V699-F755 HydrophobicContact CG2-CE2 4.41Å; V699-F755 HydrophobicContact CG2-CZ 3.66Å; I702-F755 HydrophobicContact CB-CE2 4.48Å; I702-F755 HydrophobicContact CD1-CD2 4.45Å; I702-F755 HydrophobicContact CD1-CE2 3.48Å; I702-F755 VanDerWaalsContact CD1-CE2 3.48Å; I702-F755 HydrophobicContact CD1-CZ 3.78Å; Y753-F755 PolarHBondContact O-N 3.08Å; F755-K757 VanDerWaalsContact C-N 3.32Å; F755-K757 PolarHBondContact O-N 3.3Å; F755-I758 PolarHBondContact O-N 3.37Å; F755-A759 PolarHBondContact O-N 3.34Å
756	D	50	Low	46.9	Very low	59 Å²	59	89.3 Å²	89.3	32%	0.316	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-42.3	178	-83.2	-24.3	0	0	0	109.5	D754 I758 A759 C760 K776	D754-D756 PolarHBondContact OD1-N 2.9Å; D756-I758 PolarHBondContact O-N 3.21Å; D756-A759 PolarHBondContact O-N 3.03Å; D756-C760 PolarHBondContact O-N 3.44Å; D756-C760 VanDerWaalsContact O-N 3.1Å; D756-C760 PolarHBondContact O-SG 2.83Å; D756-K776 VanDerWaalsContact CG-NZ 3.27Å; D756-K776 IonicContact OD1-NZ 3.2Å; D756-K776 PolarHBondContact OD1-NZ 3.31Å; D756-K776 IonicContact OD2-NZ 2.74Å; D756-K776 PolarHBondContact OD2-NZ 2.68Å
757	K	55.8	Low	48.5	Very low	144 Å²	144	82.6 Å²	82.6	63%	0.626	43%	0.43	S	S	*	.	H	α-helix	trans	-59.9	-41.2	174.8	-74.1	-172.9	-176.2	96.4	0	113.4	D754 F755	D754-K757 HydrophobicContact CB-CB 4.09Å; D754-K757 HydrophobicContact CB-CD 4.05Å; D754-K757 HydrophobicContact CB-CG 4.11Å; D754-K757 PolarHBondContact O-N 2.66Å; D754-K757 PolarHBondContact OD1-N 3.31Å; D754-K757 VanDerWaalsContact OD1-N 3.09Å; D754-K757 WeakPolarHBondContact OD2-CE 3.45Å; D754-K757 WeakPolarHBondContact OD2-CG 3.33Å; D754-K757 IonicContact OD2-NZ 3.6Å; D754-K757 PolarHBondContact OD2-NZ 3.06Å; F755-K757 VanDerWaalsContact C-N 3.32Å; F755-K757 PolarHBondContact O-N 3.3Å
758	I	51	Low	50.8	Low	60 Å²	60	76.2 Å²	76.2	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-45.3	176.6	-70.4	-175.7	0	0	0	110.8	Y753 D754 F755 D756 C760 L761	Y753-I758 HydrophobicContact CD1-CD1 3.76Å; Y753-I758 HydrophobicContact CD1-CG1 4.2Å; Y753-I758 HydrophobicContact CG-CD1 3.9Å; D754-I758 PolarHBondContact O-N 3.1Å; F755-I758 PolarHBondContact O-N 3.37Å; D756-I758 PolarHBondContact O-N 3.21Å; I758-C760 VanDerWaalsContact C-N 3.27Å; I758-C760 PolarHBondContact O-N 3.1Å; I758-L761 VanDerWaalsContact O-CB 3.27Å; I758-L761 WeakPolarHBondContact O-CB 3.42Å; I758-L761 PolarHBondContact O-N 3.15Å
759	A	50.3	Low	52.4	Low	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-33.7	-176.7	0	0	0	0	0	112.1	F755 D756 L761 W762 Y766	F755-A759 PolarHBondContact O-N 3.34Å; D756-A759 PolarHBondContact O-N 3.03Å; A759-L761 PolarHBondContact O-N 3.39Å; A759-L761 VanDerWaalsContact O-N 3.12Å; A759-W762 WeakPolarHBondContact O-CB 3.06Å; A759-W762 PolarHBondContact O-N 2.63Å; A759-Y766 VanDerWaalsContact C-CD1 3.5Å; A759-Y766 HydrophobicContact CB-CD1 4.13Å; A759-Y766 HydrophobicContact CB-CE1 3.41Å; A759-Y766 VanDerWaalsContact CB-CE1 3.41Å; A759-Y766 HydrophobicContact CB-CE2 4.18Å; A759-Y766 VanDerWaalsContact CB-CZ 3.44Å; A759-Y766 WeakPolarHBondContact CB-OH 3.06Å; A759-Y766 WeakPolarHBondContact O-CD1 3.45Å
760	C	67.7	Low	54.4	Low	29 Å²	29	69.3 Å²	69.3	20%	0.196	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-61	-16.8	172.3	-58.8	0	0	0	0	114.5	D756 I758 W762 W767 C777	D756-C760 PolarHBondContact O-N 3.44Å; D756-C760 VanDerWaalsContact O-N 3.1Å; D756-C760 PolarHBondContact O-SG 2.83Å; I758-C760 VanDerWaalsContact C-N 3.27Å; I758-C760 PolarHBondContact O-N 3.1Å; C760-W762 VanDerWaalsContact C-N 3.26Å; C760-W762 PolarHBondContact O-N 3.17Å; C760-W767 PolarHBondContact O-NE1 2.91Å; C760-C777 VanDerWaalsContact CA-SG 3.5Å; C760-C777 HydrophobicContact CB-CB 3.78Å; C760-C777 WeakPolarHBondContact CB-SG 3.43Å; C760-C777 WeakPolarHBondContact SG-CA 3.08Å; C760-C777 WeakPolarHBondContact SG-CB 3.28Å; C760-C777 CovalentContact SG-SG 2.03Å; C760-C777 PolarHBondContact SG-SG 2.67Å
761	L	60	Low	56.7	Low	143 Å²	143	68 Å²	68	75%	0.749	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.7	-11.5	174.6	-58.9	174.1	0	0	0	113.2	I758 A759 G763	I758-L761 VanDerWaalsContact O-CB 3.27Å; I758-L761 WeakPolarHBondContact O-CB 3.42Å; I758-L761 PolarHBondContact O-N 3.15Å; A759-L761 PolarHBondContact O-N 3.39Å; A759-L761 VanDerWaalsContact O-N 3.12Å; L761-G763 PolarHBondContact O-N 3.21Å; L761-G763 VanDerWaalsContact O-N 3.16Å
762	W	53	Low	58.8	Low	70 Å²	70	69.1 Å²	69.1	27%	0.265	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-80.6	10.6	-175	-55.8	-10.2	0	0	0	114.1	A759 C760 Y766	A759-W762 WeakPolarHBondContact O-CB 3.06Å; A759-W762 PolarHBondContact O-N 2.63Å; C760-W762 VanDerWaalsContact C-N 3.26Å; C760-W762 PolarHBondContact O-N 3.17Å; W762-Y766 HydrophobicContact CE3-CD2 4.11Å; W762-Y766 HydrophobicContact CE3-CG 4.37Å
763	G	58.5	Low	60.9	Low	20 Å²	20	61.5 Å²	61.5	21%	0.206	30%	0.301	C	S	.	.			trans	81.8	176.6	172.9	0	0	0	0	0	115	L761 T765 Y766 W767	L761-G763 PolarHBondContact O-N 3.21Å; L761-G763 VanDerWaalsContact O-N 3.16Å; G763-T765 PolarHBondContact O-N 3.32Å; G763-Y766 PolarHBondContact O-N 3.05Å; G763-W767 PolarHBondContact O-N 3.19Å; G763-W767 PolarHBondContact O-NE1 3.3Å
764	P	61.8	Low	63.2	Low	36 Å²	36	53.8 Å²	53.8	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-24.5	-170.4	-24.4	32.9	0	0	0	114.8	Y766 W767 C768 Y782 Y787	P764-Y766 PolarHBondContact O-N 3.15Å; P764-W767 HydrophobicContact CB-CD2 4.45Å; P764-W767 HydrophobicContact CB-CE3 4.44Å; P764-W767 HydrophobicContact CB-CH2 4.18Å; P764-W767 HydrophobicContact CB-CZ2 4.17Å; P764-W767 HydrophobicContact CB-CZ3 4.31Å; P764-W767 HydrophobicContact CG-CH2 3.92Å; P764-W767 HydrophobicContact CG-CZ2 3.65Å; P764-C768 WeakPolarHBondContact O-CA 3.3Å; P764-C768 WeakPolarHBondContact O-CB 3.35Å; P764-C768 PolarHBondContact O-N 3.46Å; P764-Y782 HydrophobicContact CB-CE1 3.98Å; P764-Y782 HydrophobicContact CG-CE1 4.2Å; P764-Y787 HydrophobicContact CB-CD2 4.46Å; P764-Y787 HydrophobicContact CB-CE2 3.58Å
765	T	54.4	Low	64.9	Low	51 Å²	51	57.4 Å²	57.4	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-41.3	172.7	38.6	0	0	0	0	112.7	G763	G763-T765 PolarHBondContact O-N 3.32Å
766	Y	65.2	Low	66.9	Low	24 Å²	24	58.5 Å²	58.5	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-75.5	-56.4	171.7	177.5	-99.5	0	0	0	110.9	A759 W762 G763 P764 C768 S769 T773	A759-Y766 VanDerWaalsContact C-CD1 3.5Å; A759-Y766 HydrophobicContact CB-CD1 4.13Å; A759-Y766 HydrophobicContact CB-CE1 3.41Å; A759-Y766 VanDerWaalsContact CB-CE1 3.41Å; A759-Y766 HydrophobicContact CB-CE2 4.18Å; A759-Y766 VanDerWaalsContact CB-CZ 3.44Å; A759-Y766 WeakPolarHBondContact CB-OH 3.06Å; A759-Y766 WeakPolarHBondContact O-CD1 3.45Å; W762-Y766 HydrophobicContact CE3-CD2 4.11Å; W762-Y766 HydrophobicContact CE3-CG 4.37Å; G763-Y766 PolarHBondContact O-N 3.05Å; P764-Y766 PolarHBondContact O-N 3.15Å; Y766-C768 VanDerWaalsContact C-N 3.3Å; Y766-C768 PolarHBondContact O-N 3.47Å; Y766-S769 WeakPolarHBondContact O-CB 3.33Å; Y766-S769 PolarHBondContact O-N 2.93Å; Y766-S769 PolarHBondContact O-OG 3.39Å; Y766-T773 HydrophobicContact CD1-CG2 3.96Å; Y766-T773 HydrophobicContact CE1-CG2 3.45Å; Y766-T773 VanDerWaalsContact CE1-CG2 3.45Å; Y766-T773 HydrophobicContact CE2-CG2 4.21Å; Y766-T773 WeakPolarHBondContact O-CG2 3.27Å
767	W	74.7	Confident	68.4	Low	46 Å²	46	56.9 Å²	56.9	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-76.2	-12.8	-168.6	47.7	-103.6	0	0	0	115.1	C760 G763 P764 T773 A774 C777 A779 Y782 C783	C760-W767 PolarHBondContact O-NE1 2.91Å; G763-W767 PolarHBondContact O-N 3.19Å; G763-W767 PolarHBondContact O-NE1 3.3Å; P764-W767 HydrophobicContact CB-CD2 4.45Å; P764-W767 HydrophobicContact CB-CE3 4.44Å; P764-W767 HydrophobicContact CB-CH2 4.18Å; P764-W767 HydrophobicContact CB-CZ2 4.17Å; P764-W767 HydrophobicContact CB-CZ3 4.31Å; P764-W767 HydrophobicContact CG-CH2 3.92Å; P764-W767 HydrophobicContact CG-CZ2 3.65Å; W767-T773 CarbonylContact O-C 3.52Å; W767-A774 WeakPolarHBondContact O-CA 3.38Å; W767-A774 WeakPolarHBondContact O-CB 3.35Å; W767-A774 PolarHBondContact O-N 2.84Å; W767-C777 HydrophobicContact CB-CB 3.57Å; W767-C777 VanDerWaalsContact CB-SG 3.58Å; W767-C777 HydrophobicContact CG-CB 4.26Å; W767-A779 HydrophobicContact CD2-CB 3.97Å; W767-A779 HydrophobicContact CE3-CB 3.29Å; W767-A779 HydrophobicContact CH2-CB 4.39Å; W767-A779 HydrophobicContact CZ3-CB 3.54Å; W767-Y782 HydrophobicContact CE3-CD1 4.42Å; W767-Y782 AromaticContact CH2-CD1 3.56Å; W767-Y782 HydrophobicContact CH2-CD1 3.56Å; W767-Y782 HydrophobicContact CH2-CD2 4.09Å; W767-Y782 AromaticContact CH2-CE1 3.77Å; W767-Y782 HydrophobicContact CH2-CE1 3.77Å; W767-Y782 HydrophobicContact CH2-CE2 4.28Å; W767-Y782 AromaticContact CH2-CG 3.72Å; W767-Y782 HydrophobicContact CH2-CG 3.72Å; W767-Y782 AromaticContact CZ3-CD1 3.26Å; W767-Y782 HydrophobicContact CZ3-CD1 3.26Å; W767-Y782 HydrophobicContact CZ3-CD2 4.46Å; W767-Y782 AromaticContact CZ3-CE1 3.79Å; W767-Y782 HydrophobicContact CZ3-CE1 3.79Å; W767-Y782 AromaticContact CZ3-CG 3.64Å; W767-Y782 HydrophobicContact CZ3-CG 3.64Å; W767-C783 VanDerWaalsContact CE3-SG 3.6Å; W767-C783 PolarHBondContact O-SG 2.98Å
768	C	77.8	Confident	69.9	Low	5 Å²	5	57.4 Å²	57.4	3%	0.034	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	20.8	165.9	-54.4	0	0	0	0	114	P764 Y766 C783 Y787 W788	P764-C768 WeakPolarHBondContact O-CA 3.3Å; P764-C768 WeakPolarHBondContact O-CB 3.35Å; P764-C768 PolarHBondContact O-N 3.46Å; Y766-C768 VanDerWaalsContact C-N 3.3Å; Y766-C768 PolarHBondContact O-N 3.47Å; C768-C783 WeakPolarHBondContact CA-SG 3.26Å; C768-C783 HydrophobicContact CB-CB 3.69Å; C768-C783 WeakPolarHBondContact CB-SG 3.42Å; C768-C783 WeakPolarHBondContact SG-CA 3.31Å; C768-C783 WeakPolarHBondContact SG-CB 3.36Å; C768-C783 CovalentContact SG-SG 2.04Å; C768-C783 PolarHBondContact SG-SG 3.27Å; C768-Y787 HydrophobicContact CB-CD1 3.5Å; C768-Y787 HydrophobicContact CB-CD2 3.98Å; C768-Y787 HydrophobicContact CB-CE1 4.13Å; C768-Y787 HydrophobicContact CB-CG 3.41Å; C768-Y787 VanDerWaalsContact CB-CG 3.41Å; C768-W788 HydrophobicContact CB-CZ2 4.15Å; C768-W788 VanDerWaalsContact O-CZ2 3.28Å; C768-W788 WeakPolarHBondContact O-CZ2 3.4Å; C768-W788 PolarHBondContact O-NE1 3.35Å
769	S	66.8	Low	71.4	Confident	15 Å²	15	55.1 Å²	55.1	11%	0.105	28%	0.276	C	S	.	.	S	Bend	trans	-65.9	-36.1	172.1	56.5	0	0	0	0	113.5	Y766 T773	Y766-S769 WeakPolarHBondContact O-CB 3.33Å; Y766-S769 PolarHBondContact O-N 2.93Å; Y766-S769 PolarHBondContact O-OG 3.39Å; S769-T773 WeakPolarHBondContact OG-CB 3.03Å; S769-T773 PolarHBondContact OG-OG1 3.09Å
770	S	75.7	Confident	73.1	Confident	31 Å²	31	56.8 Å²	56.8	22%	0.217	29%	0.286	C	S	.	.	S	Bend	trans	-152.3	159.1	177	85.4	0	0	0	0	112.3	E772 T773 A774 W788	S770-E772 PolarHBondContact O-N 3.41Å; S770-E772 PolarHBondContact OG-N 3.34Å; S770-T773 PolarHBondContact N-OG1 2.76Å; S770-T773 PolarHBondContact O-N 2.92Å; S770-T773 VanDerWaalsContact O-N 3.09Å; S770-T773 PolarHBondContact OG-N 3.34Å; S770-T773 PolarHBondContact OG-OG1 2.89Å; S770-A774 PolarHBondContact O-N 2.88Å; S770-W788 WeakPolarHBondContact O-CH2 3.5Å; S770-W788 WeakPolarHBondContact O-CZ2 3.32Å
771	K	79.2	Confident	73.6	Confident	153 Å²	153	62.3 Å²	62.3	67%	0.665	31%	0.314	S	S	*	.	H	α-helix	trans	-55.1	-33.6	175.8	-165	175.2	-178.1	179.5	0	112.3	R775 W788	K771-R775 WeakPolarHBondContact O-CB 3.02Å; K771-R775 PolarHBondContact O-N 3.15Å; K771-R775 VanDerWaalsContact O-N 3.1Å; K771-W788 HydrophobicContact CB-CH2 4.34Å; K771-W788 HydrophobicContact CB-CZ3 4.28Å; K771-W788 HydrophobicContact CG-CZ3 4.4Å
772	E	77.7	Confident	74.5	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-74.9	-42.3	176.6	177.6	56.4	-164.1	0	0	112.2	S770 A774 R775 K776	S770-E772 PolarHBondContact O-N 3.41Å; S770-E772 PolarHBondContact OG-N 3.34Å; E772-A774 VanDerWaalsContact C-N 3.31Å; E772-A774 PolarHBondContact O-N 2.83Å; E772-R775 VanDerWaalsContact CD-NH2 3.35Å; E772-R775 WeakPolarHBondContact O-CB 3.14Å; E772-R775 PolarHBondContact O-N 2.04Å; E772-R775 VanDerWaalsContact O-N 3.17Å; E772-R775 IonicContact OE1-CZ 3.74Å; E772-R775 IonicContact OE1-NE 2.7Å; E772-R775 IonicContact OE1-NH2 3.63Å; E772-R775 PolarHBondContact OE1-NH2 2.04Å; E772-R775 IonicContact OE2-CZ 3.28Å; E772-R775 IonicContact OE2-NE 2.67Å; E772-R775 PolarHBondContact OE2-NE 2.94Å; E772-R775 IonicContact OE2-NH2 3.01Å; E772-R775 PolarHBondContact OE2-NH2 3.39Å; E772-K776 WeakPolarHBondContact O-CG 3.05Å; E772-K776 PolarHBondContact O-N 3.43Å
773	T	74.6	Confident	75.8	Confident	10 Å²	10	57.1 Å²	57.1	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-41.3	175.7	-30.6	0	0	0	0	111.2	Y766 W767 S769 S770 K776 C777	Y766-T773 HydrophobicContact CD1-CG2 3.96Å; Y766-T773 HydrophobicContact CE1-CG2 3.45Å; Y766-T773 VanDerWaalsContact CE1-CG2 3.45Å; Y766-T773 HydrophobicContact CE2-CG2 4.21Å; Y766-T773 WeakPolarHBondContact O-CG2 3.27Å; W767-T773 CarbonylContact O-C 3.52Å; S769-T773 WeakPolarHBondContact OG-CB 3.03Å; S769-T773 PolarHBondContact OG-OG1 3.09Å; S770-T773 PolarHBondContact N-OG1 2.76Å; S770-T773 PolarHBondContact O-N 2.92Å; S770-T773 VanDerWaalsContact O-N 3.09Å; S770-T773 PolarHBondContact OG-N 3.34Å; S770-T773 PolarHBondContact OG-OG1 2.89Å; T773-K776 PolarHBondContact O-N 3.49Å; T773-C777 WeakPolarHBondContact O-CB 3.23Å; T773-C777 PolarHBondContact O-N 2.86Å; T773-C777 PolarHBondContact O-SG 3.46Å
774	A	83.1	Confident	76.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.1	-33.9	176.7	0	0	0	0	0	112.4	W767 S770 E772 C777 N778 A779 T780 C783 W788	W767-A774 WeakPolarHBondContact O-CA 3.38Å; W767-A774 WeakPolarHBondContact O-CB 3.35Å; W767-A774 PolarHBondContact O-N 2.84Å; S770-A774 PolarHBondContact O-N 2.88Å; E772-A774 VanDerWaalsContact C-N 3.31Å; E772-A774 PolarHBondContact O-N 2.83Å; A774-C777 CarbonylContact O-C 3.5Å; A774-C777 PolarHBondContact O-N 3.07Å; A774-N778 PolarHBondContact O-N 3.3Å; A774-N778 VanDerWaalsContact O-N 3.08Å; A774-A779 PolarHBondContact O-N 3.4Å; A774-T780 PolarHBondContact O-N 2.91Å; A774-T780 PolarHBondContact O-OG1 3.09Å; A774-C783 HydrophobicContact CB-CB 3.93Å; A774-C783 WeakPolarHBondContact CB-SG 3.31Å; A774-W788 HydrophobicContact CB-CH2 3.44Å; A774-W788 VanDerWaalsContact CB-CH2 3.44Å; A774-W788 HydrophobicContact CB-CZ2 4.36Å; A774-W788 HydrophobicContact CB-CZ3 4.09Å
775	R	85.5	Confident	77.3	Confident	151 Å²	151	59.4 Å²	59.4	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-46.4	173.4	-169.1	-170.5	69.2	79.3	1.8	110.8	K771 E772 N778 T780	K771-R775 WeakPolarHBondContact O-CB 3.02Å; K771-R775 PolarHBondContact O-N 3.15Å; K771-R775 VanDerWaalsContact O-N 3.1Å; E772-R775 VanDerWaalsContact CD-NH2 3.35Å; E772-R775 WeakPolarHBondContact O-CB 3.14Å; E772-R775 PolarHBondContact O-N 2.04Å; E772-R775 VanDerWaalsContact O-N 3.17Å; E772-R775 IonicContact OE1-CZ 3.74Å; E772-R775 IonicContact OE1-NE 2.7Å; E772-R775 IonicContact OE1-NH2 3.63Å; E772-R775 PolarHBondContact OE1-NH2 2.04Å; E772-R775 IonicContact OE2-CZ 3.28Å; E772-R775 IonicContact OE2-NE 2.67Å; E772-R775 PolarHBondContact OE2-NE 2.94Å; E772-R775 IonicContact OE2-NH2 3.01Å; E772-R775 PolarHBondContact OE2-NH2 3.39Å; R775-N778 PolarHBondContact O-N 3.27Å; R775-T780 WeakPolarHBondContact CA-OG1 3.41Å; R775-T780 PolarHBondContact N-OG1 2.91Å
776	K	81.3	Confident	77.6	Confident	98 Å²	98	60.7 Å²	60.7	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-46.4	174.7	-75.2	179.7	163	-132.8	0	112.4	D756 E772 T773 N778	D756-K776 VanDerWaalsContact CG-NZ 3.27Å; D756-K776 IonicContact OD1-NZ 3.2Å; D756-K776 PolarHBondContact OD1-NZ 3.31Å; D756-K776 IonicContact OD2-NZ 2.74Å; D756-K776 PolarHBondContact OD2-NZ 2.68Å; E772-K776 WeakPolarHBondContact O-CG 3.05Å; E772-K776 PolarHBondContact O-N 3.43Å; T773-K776 PolarHBondContact O-N 3.49Å; K776-N778 PolarHBondContact O-N 3.06Å
777	C	82.8	Confident	77.6	Confident	24 Å²	24	64.1 Å²	64.1	16%	0.162	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	11	179	-62.1	0	0	0	0	114.5	C760 W767 T773 A774 A779	C760-C777 VanDerWaalsContact CA-SG 3.5Å; C760-C777 HydrophobicContact CB-CB 3.78Å; C760-C777 WeakPolarHBondContact CB-SG 3.43Å; C760-C777 WeakPolarHBondContact SG-CA 3.08Å; C760-C777 WeakPolarHBondContact SG-CB 3.28Å; C760-C777 CovalentContact SG-SG 2.03Å; C760-C777 PolarHBondContact SG-SG 2.67Å; W767-C777 HydrophobicContact CB-CB 3.57Å; W767-C777 VanDerWaalsContact CB-SG 3.58Å; W767-C777 HydrophobicContact CG-CB 4.26Å; T773-C777 WeakPolarHBondContact O-CB 3.23Å; T773-C777 PolarHBondContact O-N 2.86Å; T773-C777 PolarHBondContact O-SG 3.46Å; A774-C777 CarbonylContact O-C 3.5Å; A774-C777 PolarHBondContact O-N 3.07Å; C777-A779 HydrophobicContact CB-CB 4.34Å; C777-A779 PolarHBondContact O-N 2.92Å; C777-A779 VanDerWaalsContact O-N 3.14Å
778	N	87.1	Confident	77.5	Confident	156 Å²	156	63.8 Å²	63.8	83%	0.834	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.7	-178.3	-160.5	19.9	0	0	0	114.1	A774 R775 K776	A774-N778 PolarHBondContact O-N 3.3Å; A774-N778 VanDerWaalsContact O-N 3.08Å; R775-N778 PolarHBondContact O-N 3.27Å; K776-N778 PolarHBondContact O-N 3.06Å
779	A	83	Confident	76.5	Confident	12 Å²	12	67.8 Å²	67.8	10%	0.099	35%	0.346	C	S	.	.			trans	-121.6	3.9	-168.1	0	0	0	0	0	113.7	W767 A774 C777 N781 Y782 C783	W767-A779 HydrophobicContact CD2-CB 3.97Å; W767-A779 HydrophobicContact CE3-CB 3.29Å; W767-A779 HydrophobicContact CH2-CB 4.39Å; W767-A779 HydrophobicContact CZ3-CB 3.54Å; A774-A779 PolarHBondContact O-N 3.4Å; C777-A779 HydrophobicContact CB-CB 4.34Å; C777-A779 PolarHBondContact O-N 2.92Å; C777-A779 VanDerWaalsContact O-N 3.14Å; A779-N781 PolarHBondContact O-N 3.19Å; A779-Y782 WeakPolarHBondContact O-CB 3.05Å; A779-Y782 PolarHBondContact O-N 3.38Å; A779-C783 PolarHBondContact O-N 3.28Å
780	T	84.8	Confident	75.7	Confident	35 Å²	35	75 Å²	75	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-47.8	-40.2	-178.1	-44.2	0	0	0	0	113.1	A774 R775 C783 T784	A774-T780 PolarHBondContact O-N 2.91Å; A774-T780 PolarHBondContact O-OG1 3.09Å; R775-T780 WeakPolarHBondContact CA-OG1 3.41Å; R775-T780 PolarHBondContact N-OG1 2.91Å; T780-C783 PolarHBondContact O-N 3.48Å; T780-T784 WeakPolarHBondContact O-CB 3.2Å; T780-T784 PolarHBondContact O-N 3.45Å; T780-T784 PolarHBondContact O-OG1 3.34Å
781	N	79.4	Confident	74.1	Confident	145 Å²	145	79 Å²	79	78%	0.775	40%	0.397	S	S	*	.	H	α-helix	trans	-64.8	-41.5	179.6	-67.2	-8.6	0	0	0	112.4	A779 A785	A779-N781 PolarHBondContact O-N 3.19Å; N781-A785 WeakPolarHBondContact O-CB 3.2Å; N781-A785 PolarHBondContact O-N 3.09Å; N781-A785 VanDerWaalsContact O-N 3.15Å
782	Y	78.7	Confident	71.9	Confident	104 Å²	104	77.4 Å²	77.4	41%	0.408	40%	0.395	S	S	.	.	H	α-helix	trans	-66.5	-46.1	173.7	179	-74	0	0	0	110.2	P764 W767 A779 A785 T786 Y787	P764-Y782 HydrophobicContact CB-CE1 3.98Å; P764-Y782 HydrophobicContact CG-CE1 4.2Å; W767-Y782 HydrophobicContact CE3-CD1 4.42Å; W767-Y782 AromaticContact CH2-CD1 3.56Å; W767-Y782 HydrophobicContact CH2-CD1 3.56Å; W767-Y782 HydrophobicContact CH2-CD2 4.09Å; W767-Y782 AromaticContact CH2-CE1 3.77Å; W767-Y782 HydrophobicContact CH2-CE1 3.77Å; W767-Y782 HydrophobicContact CH2-CE2 4.28Å; W767-Y782 AromaticContact CH2-CG 3.72Å; W767-Y782 HydrophobicContact CH2-CG 3.72Å; W767-Y782 AromaticContact CZ3-CD1 3.26Å; W767-Y782 HydrophobicContact CZ3-CD1 3.26Å; W767-Y782 HydrophobicContact CZ3-CD2 4.46Å; W767-Y782 AromaticContact CZ3-CE1 3.79Å; W767-Y782 HydrophobicContact CZ3-CE1 3.79Å; W767-Y782 AromaticContact CZ3-CG 3.64Å; W767-Y782 HydrophobicContact CZ3-CG 3.64Å; A779-Y782 WeakPolarHBondContact O-CB 3.05Å; A779-Y782 PolarHBondContact O-N 3.38Å; Y782-A785 PolarHBondContact O-N 2.79Å; Y782-T786 HydrophobicContact CE1-CG2 4.03Å; Y782-T786 WeakPolarHBondContact O-CA 3.38Å; Y782-T786 WeakPolarHBondContact O-CB 3.45Å; Y782-T786 PolarHBondContact O-N 3.43Å; Y782-T786 PolarHBondContact O-OG1 2.96Å; Y782-Y787 AromaticContact CE1-CD2 3.99Å; Y782-Y787 HydrophobicContact CE1-CD2 3.99Å; Y782-Y787 HydrophobicContact CE1-CE2 4.08Å
783	C	80.8	Confident	69.8	Low	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-65.2	-45	-176.8	-60	0	0	0	0	112.5	W767 C768 A774 A779 T780 A785 T786 Y787 W788	W767-C783 VanDerWaalsContact CE3-SG 3.6Å; W767-C783 PolarHBondContact O-SG 2.98Å; C768-C783 WeakPolarHBondContact CA-SG 3.26Å; C768-C783 HydrophobicContact CB-CB 3.69Å; C768-C783 WeakPolarHBondContact CB-SG 3.42Å; C768-C783 WeakPolarHBondContact SG-CA 3.31Å; C768-C783 WeakPolarHBondContact SG-CB 3.36Å; C768-C783 CovalentContact SG-SG 2.04Å; C768-C783 PolarHBondContact SG-SG 3.27Å; A774-C783 HydrophobicContact CB-CB 3.93Å; A774-C783 WeakPolarHBondContact CB-SG 3.31Å; A779-C783 PolarHBondContact O-N 3.28Å; T780-C783 PolarHBondContact O-N 3.48Å; C783-A785 VanDerWaalsContact C-N 3.29Å; C783-A785 PolarHBondContact O-N 2.81Å; C783-T786 PolarHBondContact O-N 3.35Å; C783-Y787 CarbonylContact O-C 3.42Å; C783-Y787 WeakPolarHBondContact O-CA 3.47Å; C783-Y787 WeakPolarHBondContact O-CB 3.46Å; C783-Y787 PolarHBondContact O-N 3.01Å; C783-W788 HydrophobicContact CB-CD2 4.04Å; C783-W788 HydrophobicContact CB-CE3 3.74Å; C783-W788 HydrophobicContact CB-CH2 3.45Å; C783-W788 VanDerWaalsContact CB-CH2 3.45Å; C783-W788 HydrophobicContact CB-CZ2 3.76Å; C783-W788 HydrophobicContact CB-CZ3 3.44Å; C783-W788 VanDerWaalsContact CB-CZ3 3.44Å; C783-W788 PolarHBondContact O-N 3.33Å
784	T	78.6	Confident	67.6	Low	41 Å²	41	85.4 Å²	85.4	25%	0.252	44%	0.444	S	S	.	.	H	α-helix	trans	-61.8	-36.4	174	-56.2	0	0	0	0	112.1	T780	T780-T784 WeakPolarHBondContact O-CB 3.2Å; T780-T784 PolarHBondContact O-N 3.45Å; T780-T784 PolarHBondContact O-OG1 3.34Å
785	A	71.6	Confident	65	Low	63 Å²	63	89.1 Å²	89.1	52%	0.521	48%	0.483	S	S	.	.	H	α-helix	trans	-82	-21.1	-179.8	0	0	0	0	0	115	N781 Y782 C783	N781-A785 WeakPolarHBondContact O-CB 3.2Å; N781-A785 PolarHBondContact O-N 3.09Å; N781-A785 VanDerWaalsContact O-N 3.15Å; Y782-A785 PolarHBondContact O-N 2.79Å; C783-A785 VanDerWaalsContact C-N 3.29Å; C783-A785 PolarHBondContact O-N 2.81Å
786	T	61.1	Low	62.3	Low	77 Å²	77	88.4 Å²	88.4	47%	0.472	49%	0.489	S	S	.	.	H	α-helix	trans	-132.1	-20	-163.4	-32.9	0	0	0	0	114.1	Y782 C783	Y782-T786 HydrophobicContact CE1-CG2 4.03Å; Y782-T786 WeakPolarHBondContact O-CA 3.38Å; Y782-T786 WeakPolarHBondContact O-CB 3.45Å; Y782-T786 PolarHBondContact O-N 3.43Å; Y782-T786 PolarHBondContact O-OG1 2.96Å; C783-T786 PolarHBondContact O-N 3.35Å
787	Y	65.5	Low	59.8	Low	96 Å²	96	91.6 Å²	91.6	38%	0.376	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-29.4	-177	-95	-107.6	0	0	0	113.8	P764 C768 Y782 C783	P764-Y787 HydrophobicContact CB-CD2 4.46Å; P764-Y787 HydrophobicContact CB-CE2 3.58Å; C768-Y787 HydrophobicContact CB-CD1 3.5Å; C768-Y787 HydrophobicContact CB-CD2 3.98Å; C768-Y787 HydrophobicContact CB-CE1 4.13Å; C768-Y787 HydrophobicContact CB-CG 3.41Å; C768-Y787 VanDerWaalsContact CB-CG 3.41Å; Y782-Y787 AromaticContact CE1-CD2 3.99Å; Y782-Y787 HydrophobicContact CE1-CD2 3.99Å; Y782-Y787 HydrophobicContact CE1-CE2 4.08Å; C783-Y787 CarbonylContact O-C 3.42Å; C783-Y787 WeakPolarHBondContact O-CA 3.47Å; C783-Y787 WeakPolarHBondContact O-CB 3.46Å; C783-Y787 PolarHBondContact O-N 3.01Å
788	W	73.1	Confident	57.2	Low	40 Å²	40	97 Å²	97	15%	0.152	54%	0.537	C	S	.	.			trans	-127.6	47.7	-179.7	-39.1	-46.6	0	0	0	114.4	C768 S770 K771 A774 C783 E790 I791	C768-W788 HydrophobicContact CB-CZ2 4.15Å; C768-W788 VanDerWaalsContact O-CZ2 3.28Å; C768-W788 WeakPolarHBondContact O-CZ2 3.4Å; C768-W788 PolarHBondContact O-NE1 3.35Å; S770-W788 WeakPolarHBondContact O-CH2 3.5Å; S770-W788 WeakPolarHBondContact O-CZ2 3.32Å; K771-W788 HydrophobicContact CB-CH2 4.34Å; K771-W788 HydrophobicContact CB-CZ3 4.28Å; K771-W788 HydrophobicContact CG-CZ3 4.4Å; A774-W788 HydrophobicContact CB-CH2 3.44Å; A774-W788 VanDerWaalsContact CB-CH2 3.44Å; A774-W788 HydrophobicContact CB-CZ2 4.36Å; A774-W788 HydrophobicContact CB-CZ3 4.09Å; C783-W788 HydrophobicContact CB-CD2 4.04Å; C783-W788 HydrophobicContact CB-CE3 3.74Å; C783-W788 HydrophobicContact CB-CH2 3.45Å; C783-W788 VanDerWaalsContact CB-CH2 3.45Å; C783-W788 HydrophobicContact CB-CZ2 3.76Å; C783-W788 HydrophobicContact CB-CZ3 3.44Å; C783-W788 VanDerWaalsContact CB-CZ3 3.44Å; C783-W788 PolarHBondContact O-N 3.33Å; W788-E790 PolarHBondContact O-N 3Å; W788-I791 HydrophobicContact CB-CD1 3.77Å; W788-I791 HydrophobicContact CB-CG1 4.12Å; W788-I791 HydrophobicContact CG-CD1 4.19Å; W788-I791 PolarHBondContact O-N 3.34Å
789	P	56.9	Low	54.6	Low	88 Å²	88	97.2 Å²	97.2	57%	0.571	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.1	-176.8	27.1	-35.6	0	0	0	114.1
790	E	48.5	Very low	52.2	Low	167 Å²	167	103.8 Å²	103.8	78%	0.78	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-11.6	-174.9	-56.4	-171.7	154.2	0	0	114.5	W788 N792 T793	W788-E790 PolarHBondContact O-N 3Å; E790-N792 VanDerWaalsContact C-N 3.31Å; E790-N792 PolarHBondContact O-N 2.95Å; E790-T793 PolarHBondContact O-OG1 3.26Å
791	I	42.8	Very low	49.8	Very low	116 Å²	116	110.5 Å²	110.5	60%	0.595	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-20.8	-176	-65.1	-176	0	0	0	112.5	W788	W788-I791 HydrophobicContact CB-CD1 3.77Å; W788-I791 HydrophobicContact CB-CG1 4.12Å; W788-I791 HydrophobicContact CG-CD1 4.19Å; W788-I791 PolarHBondContact O-N 3.34Å
792	N	34.2	Very low	47.6	Very low	119 Å²	119	109.7 Å²	109.7	64%	0.636	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	19.1	-174.6	-72.2	0.8	0	0	0	114.6	E790	E790-N792 VanDerWaalsContact C-N 3.31Å; E790-N792 PolarHBondContact O-N 2.95Å
793	T	32.4	Very low	45.5	Very low	109 Å²	109	110.8 Å²	110.8	67%	0.669	61%	0.606	S	S	*	*	S	Bend	trans	-114.6	42.1	176.6	52.4	0	0	0	0	114	E790	E790-T793 PolarHBondContact O-OG1 3.26Å
794	N	29.6	Very low	43.3	Very low	152 Å²	152	117.9 Å²	117.9	81%	0.813	64%	0.644	S	S	*	*	S	Bend	trans	-152.9	107.8	148.8	-93.6	-36.4	0	0	0	107.7	I796	N794-I796 PolarHBondContact O-N 2.88Å
795	G	27.3	Very low	41.2	Very low	79 Å²	79	121.4 Å²	121.4	81%	0.814	67%	0.665	S	S	*	*			trans	-74.9	105.9	-174.8	0	0	0	0	0	112
796	I	27.8	Very low	39.5	Very low	136 Å²	136	124.6 Å²	124.6	70%	0.697	67%	0.672	S	S	*	*			trans	-129.8	76.5	163.7	-58.1	-176.1	0	0	0	107.3	N794 I798	N794-I796 PolarHBondContact O-N 2.88Å; I796-I798 HydrophobicContact CG2-CD1 3.47Å; I796-I798 VanDerWaalsContact CG2-CD1 3.47Å; I796-I798 HydrophobicContact CG2-CG1 3.61Å; I796-I798 PolarHBondContact O-N 3.39Å
797	D	28.9	Very low	38.3	Very low	165 Å²	165	126.9 Å²	126.9	88%	0.882	68%	0.681	S	S	*	*			trans	-72.9	103.1	158.6	-75.6	-47	0	0	0	107.6
798	I	29.7	Very low	36.9	Very low	138 Å²	138	128.5 Å²	128.5	71%	0.708	70%	0.696	S	S	*	*			trans	-117.2	67.1	164.4	-59	172.3	0	0	0	107.6	I796	I796-I798 HydrophobicContact CG2-CD1 3.47Å; I796-I798 VanDerWaalsContact CG2-CD1 3.47Å; I796-I798 HydrophobicContact CG2-CG1 3.61Å; I796-I798 PolarHBondContact O-N 3.39Å
799	D	31.7	Very low	35.3	Very low	159 Å²	159	133.7 Å²	133.7	85%	0.85	72%	0.722	S	S	*	*			trans	-112.2	62.2	159.9	-109.8	-29.5	0	0	0	108.4
800	N	33.3	Very low	34.3	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	73%	0.727	S	S	*	*			trans	-157.2	159.7	153.7	-118.7	-51.6	0	0	0	113.9
801	K	33	Very low	33.6	Very low	175 Å²	175	133.2 Å²	133.2	76%	0.761	73%	0.729	S	S	*	*			trans	-90.4	171.7	-178.4	-65.2	173.6	176.7	173.4	0	111.8
802	D	35	Very low	32.9	Very low	129 Å²	129	133.6 Å²	133.6	69%	0.69	74%	0.737	S	S	*	*			trans	77.9	90.3	153.5	-61.1	-50.1	0	0	0	119.6
803	N	33.5	Very low	32.9	Very low	126 Å²	126	135 Å²	135	67%	0.674	75%	0.75	S	S	*	*				70.9	130.7	126.1	-51.5	-51	0	0	0	121.5
804	N	35.1	Very low	33.1	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	76%	0.755	S	S	*	*			trans	72.1	144.1	144.6	-71.5	-17.8	0	0	0	120
805	V	34.5	Very low	32.9	Very low	114 Å²	114	135.3 Å²	135.3	69%	0.691	76%	0.755	S	S	*	*			cis	-167.8	156.7	-20.5	87.5	0	0	0	0	111.1
806	I	35.8	Very low	33.1	Very low	130 Å²	130	137.3 Å²	137.3	67%	0.667	75%	0.754	S	S	*	*			trans	72.4	100.5	156.1	-73.2	172.5	0	0	0	121.3
807	N	34.8	Very low	33.3	Very low	125 Å²	125	140.5 Å²	140.5	67%	0.668	76%	0.763	S	S	*	*				77.1	147.1	115.2	-59.4	-1.3	0	0	0	126.3
808	N	37.7	Very low	33.4	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	76%	0.759	S	S	*	*			trans	77.6	143.8	147.5	-65.8	-8.6	0	0	0	119.7
809	H	39.6	Very low	33.4	Very low	149 Å²	149	138.5 Å²	138.5	69%	0.69	77%	0.766	S	S	*	*			cis	-157.9	143	-9	-125.4	-61.7	0	0	0	111.1
810	V	34.1	Very low	33.2	Very low	112 Å²	112	140 Å²	140	68%	0.679	77%	0.768	S	S	*	*			trans	30.4	128.9	135.8	174.2	0	0	0	0	118.6
811	T	34.1	Very low	33.2	Very low	133 Å²	133	142 Å²	142	82%	0.816	77%	0.769	S	S	*	*				-163.5	156.7	73.3	-38.2	0	0	0	0	114.1
812	T	28.7	Very low	33	Very low	124 Å²	124	138.4 Å²	138.4	76%	0.761	76%	0.762	S	S	*	*			trans	-97.3	146.1	179.1	50.2	0	0	0	0	115.4
813	T	33.9	Very low	32.9	Very low	149 Å²	149	142.4 Å²	142.4	91%	0.914	77%	0.773	S	S	*	*			trans	-149.7	161.7	147.5	3.4	0	0	0	0	112.4
814	S	36.8	Very low	32.9	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	76%	0.764	S	S	*	*			trans	-80.4	164	-157	48.2	0	0	0	0	118.7
815	L	24.9	Very low	32.8	Very low	155 Å²	155	141.9 Å²	141.9	81%	0.812	77%	0.769	S	S	*	*			trans	-62.8	159.1	-179.7	-71.8	79.3	0	0	0	115.4
816	P	32.7	Very low	33.1	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	77%	0.772	S	S	*	*				-113.6	166.4	117.6	-5.8	24.9	0	0	0	113.5
817	K	31.1	Very low	33	Very low	203 Å²	203	143 Å²	143	88%	0.883	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67.5	139.6	178.9	-75.2	-178.6	174.6	179.7	0	112.6
818	P	32	Very low	33.1	Very low	124 Å²	124	143 Å²	143	81%	0.805	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-85.2	136	171.4	33.4	-32.7	0	0	0	112.5
819	T	29.5	Very low	33.5	Very low	138 Å²	138	138.6 Å²	138.6	85%	0.847	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-92.1	145.8	161.7	49.8	0	0	0	0	110.7
820	E	28	Very low	33.8	Very low	191 Å²	191	137.9 Å²	137.9	89%	0.893	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63.6	145.7	-176.3	-60.5	174.2	91	0	0	114.4
821	K	31.4	Very low	35	Very low	193 Å²	193	140.1 Å²	140.1	84%	0.839	75%	0.751	S	S	*	*			trans	-156.4	102.8	149.5	-114.2	167.8	-169	177.4	0	113.1
822	T	30.5	Very low	36.6	Very low	99 Å²	99	136.1 Å²	136.1	61%	0.607	73%	0.728	S	S	*	*			trans	49.7	109.9	142.2	57.6	0	0	0	0	120.4
823	K	32.8	Very low	39.2	Very low	213 Å²	213	132.5 Å²	132.5	93%	0.926	71%	0.707	S	S	*	*			trans	-102.4	139.8	143.1	-91.9	-179	172.8	177.9	0	109.5
824	S	32.1	Very low	41.2	Very low	69 Å²	69	128.7 Å²	128.7	48%	0.483	68%	0.684	S	S	.	*			trans	-159.8	83.6	171.5	55.9	0	0	0	0	111.6
825	E	34	Very low	43	Very low	195 Å²	195	130.3 Å²	130.3	91%	0.911	67%	0.673	S	S	*	*			trans	-159.2	166.4	169.9	-124.8	165.5	-161.1	0	0	111.4
826	H	40.8	Very low	45.4	Very low	163 Å²	163	123.9 Å²	123.9	76%	0.755	64%	0.644	S	S	*	*			trans	74.6	50.1	171.8	-146.1	-63.7	0	0	0	119.2
827	L	34.5	Very low	47.6	Very low	104 Å²	104	120.8 Å²	120.8	55%	0.545	62%	0.624	S	S	.	*			trans	-77.2	133.7	161.3	-70.2	168.5	0	0	0	111.6	N591 I830	N591-L827 HydrophobicContact CB-CD1 4.16Å; N591-L827 WeakPolarHBondContact ND2-CD1 3.46Å; L827-I830 HydrophobicContact CB-CD1 4.13Å; L827-I830 WeakPolarHBondContact O-CD1 3.29Å
828	L	35	Very low	49.7	Very low	127 Å²	127	115.7 Å²	115.7	67%	0.665	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	155.6	174.3	-74.7	163.9	0	0	0	111.5
829	G	46.7	Very low	52.1	Low	36 Å²	36	112.3 Å²	112.3	37%	0.371	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	102	-19.7	-171.9	0	0	0	0	0	114.7	K831 T834 W835	G829-K831 VanDerWaalsContact C-N 3.32Å; G829-K831 PolarHBondContact O-N 2.81Å; G829-T834 VanDerWaalsContact CA-OG1 3.28Å; G829-T834 WeakPolarHBondContact CA-OG1 3.33Å; G829-T834 PolarHBondContact N-OG1 3.14Å; G829-W835 PolarHBondContact O-NE1 3.03Å
830	I	46.8	Very low	54.8	Low	134 Å²	134	107.7 Å²	107.7	69%	0.687	55%	0.552	S	S	*	*	S	Bend	trans	-65.5	-30.8	-178	-65.9	169.8	0	0	0	112.9	L827	L827-I830 HydrophobicContact CB-CD1 4.13Å; L827-I830 WeakPolarHBondContact O-CD1 3.29Å
831	K	59.4	Low	57.8	Low	159 Å²	159	99.1 Å²	99.1	69%	0.691	51%	0.514	S	S	*	.	S	Bend	trans	-95.7	125.5	-179.5	-68.2	-179.6	179.5	175.9	0	109.9	G829 C833 T834	G829-K831 VanDerWaalsContact C-N 3.32Å; G829-K831 PolarHBondContact O-N 2.81Å; K831-C833 PolarHBondContact O-N 3.26Å; K831-T834 HydrophobicContact CB-CG2 4.4Å; K831-T834 WeakPolarHBondContact O-CB 3.31Å; K831-T834 PolarHBondContact O-N 3.45Å; K831-T834 PolarHBondContact O-OG1 3.37Å
832	P	67.9	Low	60.2	Low	49 Å²	49	96 Å²	96	32%	0.318	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-54.9	-31.7	-174.3	-30.2	36.3	0	0	0	115.5	T834 W835 Y839	P832-T834 PolarHBondContact O-N 2.84Å; P832-T834 VanDerWaalsContact O-N 3.07Å; P832-W835 HydrophobicContact CB-CD2 4.22Å; P832-W835 HydrophobicContact CB-CE3 4.2Å; P832-W835 HydrophobicContact CB-CH2 4.23Å; P832-W835 HydrophobicContact CB-CZ2 4.23Å; P832-W835 HydrophobicContact CB-CZ3 4.21Å; P832-W835 HydrophobicContact CG-CH2 4.24Å; P832-W835 HydrophobicContact CG-CZ2 4.16Å; P832-W835 VanDerWaalsContact O-CB 3.27Å; P832-W835 WeakPolarHBondContact O-CB 3.39Å; P832-W835 PolarHBondContact O-N 2.93Å; P832-Y839 HydrophobicContact CB-CD1 4.02Å; P832-Y839 HydrophobicContact CB-CE1 3.34Å; P832-Y839 HydrophobicContact CB-CE2 4.16Å; P832-Y839 VanDerWaalsContact CB-CZ 3.42Å; P832-Y839 WeakPolarHBondContact O-CD1 3.21Å
833	C	82.7	Confident	62.9	Low	48 Å²	48	92.9 Å²	92.9	32%	0.324	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.7	174.9	-57.3	0	0	0	0	114.8	K831 W835 W840 C850	K831-C833 PolarHBondContact O-N 3.26Å; C833-W835 VanDerWaalsContact C-N 3.34Å; C833-W840 PolarHBondContact O-NE1 3.31Å; C833-C850 WeakPolarHBondContact CA-SG 3.2Å; C833-C850 HydrophobicContact CB-CB 3.56Å; C833-C850 WeakPolarHBondContact CB-SG 3.41Å; C833-C850 WeakPolarHBondContact SG-CA 3.29Å; C833-C850 WeakPolarHBondContact SG-CB 3.31Å; C833-C850 CovalentContact SG-SG 2.04Å; C833-C850 PolarHBondContact SG-SG 3.31Å
834	T	75.7	Confident	65.6	Low	70 Å²	70	86.2 Å²	86.2	43%	0.429	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-85.3	-3.5	172.4	63.3	0	0	0	0	113.5	G829 K831 P832 G836	G829-T834 VanDerWaalsContact CA-OG1 3.28Å; G829-T834 WeakPolarHBondContact CA-OG1 3.33Å; G829-T834 PolarHBondContact N-OG1 3.14Å; K831-T834 HydrophobicContact CB-CG2 4.4Å; K831-T834 WeakPolarHBondContact O-CB 3.31Å; K831-T834 PolarHBondContact O-N 3.45Å; K831-T834 PolarHBondContact O-OG1 3.37Å; P832-T834 PolarHBondContact O-N 2.84Å; P832-T834 VanDerWaalsContact O-N 3.07Å; T834-G836 PolarHBondContact O-N 2.99Å
835	W	74.7	Confident	68.2	Low	145 Å²	145	88.6 Å²	88.6	55%	0.549	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-80.2	0.5	179.5	-55.2	-11.1	0	0	0	114.1	G829 P832 C833 Y839	G829-W835 PolarHBondContact O-NE1 3.03Å; P832-W835 HydrophobicContact CB-CD2 4.22Å; P832-W835 HydrophobicContact CB-CE3 4.2Å; P832-W835 HydrophobicContact CB-CH2 4.23Å; P832-W835 HydrophobicContact CB-CZ2 4.23Å; P832-W835 HydrophobicContact CB-CZ3 4.21Å; P832-W835 HydrophobicContact CG-CH2 4.24Å; P832-W835 HydrophobicContact CG-CZ2 4.16Å; P832-W835 VanDerWaalsContact O-CB 3.27Å; P832-W835 WeakPolarHBondContact O-CB 3.39Å; P832-W835 PolarHBondContact O-N 2.93Å; C833-W835 VanDerWaalsContact C-N 3.34Å; W835-Y839 HydrophobicContact CB-CG 4.41Å; W835-Y839 AromaticContact CE3-CD2 3.55Å; W835-Y839 HydrophobicContact CE3-CD2 3.55Å; W835-Y839 HydrophobicContact CE3-CE2 4.03Å; W835-Y839 AromaticContact CE3-CG 3.83Å; W835-Y839 HydrophobicContact CE3-CG 3.83Å; W835-Y839 AromaticContact CZ3-CD2 3.89Å; W835-Y839 HydrophobicContact CZ3-CD2 3.89Å; W835-Y839 AromaticContact CZ3-CE2 3.95Å; W835-Y839 HydrophobicContact CZ3-CE2 3.95Å
836	G	75.5	Confident	70.6	Confident	20 Å²	20	80.8 Å²	80.8	21%	0.206	42%	0.424	C	S	.	.			trans	86.2	179.2	175.8	0	0	0	0	0	115.4	T834 S838 Y839 W840	T834-G836 PolarHBondContact O-N 2.99Å; G836-S838 PolarHBondContact O-N 3.09Å; G836-S838 VanDerWaalsContact O-N 3.12Å; G836-Y839 PolarHBondContact O-N 3.24Å; G836-W840 VanDerWaalsContact C-NE1 3.29Å; G836-W840 PolarHBondContact O-N 3.05Å; G836-W840 VanDerWaalsContact O-N 3.12Å; G836-W840 PolarHBondContact O-NE1 2.87Å
837	P	78.7	Confident	73	Confident	56 Å²	56	73 Å²	73	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-58.3	-27.1	-174.3	-24.1	32.5	0	0	0	114.4	Y839 W840 C841	P837-Y839 PolarHBondContact O-N 3.1Å; P837-W840 HydrophobicContact CB-CE3 4.42Å; P837-W840 HydrophobicContact CB-CH2 4.17Å; P837-W840 HydrophobicContact CB-CZ2 4.33Å; P837-W840 HydrophobicContact CB-CZ3 4.2Å; P837-W840 HydrophobicContact CG-CH2 3.77Å; P837-W840 HydrophobicContact CG-CZ2 3.72Å; P837-W840 HydrophobicContact CG-CZ3 4.31Å; P837-W840 PolarHBondContact O-N 3.16Å; P837-C841 VanDerWaalsContact O-CB 3.27Å; P837-C841 WeakPolarHBondContact O-CB 3.2Å; P837-C841 PolarHBondContact O-N 2.04Å
838	S	75.4	Confident	75.7	Confident	96 Å²	96	73.2 Å²	73.2	67%	0.671	38%	0.384	S	S	*	.	H	α-helix	trans	-63.5	-21	174.1	49.3	0	0	0	0	114	G836 Q842	G836-S838 PolarHBondContact O-N 3.09Å; G836-S838 VanDerWaalsContact O-N 3.12Å; S838-Q842 WeakPolarHBondContact O-CG 3.24Å; S838-Q842 PolarHBondContact O-NE2 3.39Å
839	Y	82	Confident	78.2	Confident	54 Å²	54	75.1 Å²	75.1	21%	0.212	39%	0.387	C	S	.	.	H	α-helix	trans	-93.4	-56.8	165.2	177.5	-103.6	0	0	0	111	P832 W835 G836 P837 C841 Q842 I846	P832-Y839 HydrophobicContact CB-CD1 4.02Å; P832-Y839 HydrophobicContact CB-CE1 3.34Å; P832-Y839 HydrophobicContact CB-CE2 4.16Å; P832-Y839 VanDerWaalsContact CB-CZ 3.42Å; P832-Y839 WeakPolarHBondContact O-CD1 3.21Å; W835-Y839 HydrophobicContact CB-CG 4.41Å; W835-Y839 AromaticContact CE3-CD2 3.55Å; W835-Y839 HydrophobicContact CE3-CD2 3.55Å; W835-Y839 HydrophobicContact CE3-CE2 4.03Å; W835-Y839 AromaticContact CE3-CG 3.83Å; W835-Y839 HydrophobicContact CE3-CG 3.83Å; W835-Y839 AromaticContact CZ3-CD2 3.89Å; W835-Y839 HydrophobicContact CZ3-CD2 3.89Å; W835-Y839 AromaticContact CZ3-CE2 3.95Å; W835-Y839 HydrophobicContact CZ3-CE2 3.95Å; G836-Y839 PolarHBondContact O-N 3.24Å; P837-Y839 PolarHBondContact O-N 3.1Å; Y839-C841 VanDerWaalsContact C-N 3.31Å; Y839-C841 PolarHBondContact O-N 2.82Å; Y839-Q842 WeakPolarHBondContact O-CB 3.41Å; Y839-Q842 VanDerWaalsContact O-CG 3.22Å; Y839-Q842 WeakPolarHBondContact O-CG 3.24Å; Y839-Q842 PolarHBondContact O-N 2.66Å; Y839-Q842 VanDerWaalsContact O-N 3.16Å; Y839-I846 HydrophobicContact CD1-CG2 3.83Å; Y839-I846 HydrophobicContact CE1-CG2 3.34Å; Y839-I846 HydrophobicContact CE2-CG2 4.3Å; Y839-I846 HydrophobicContact CG-CG2 4.48Å
840	W	86.8	Confident	80.3	Confident	40 Å²	40	74.7 Å²	74.7	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-79.4	-5.6	-166.6	49	-108.4	0	0	0	115.9	C833 G836 P837 I846 A847 C850 A854 H857 C858	C833-W840 PolarHBondContact O-NE1 3.31Å; G836-W840 VanDerWaalsContact C-NE1 3.29Å; G836-W840 PolarHBondContact O-N 3.05Å; G836-W840 VanDerWaalsContact O-N 3.12Å; G836-W840 PolarHBondContact O-NE1 2.87Å; P837-W840 HydrophobicContact CB-CE3 4.42Å; P837-W840 HydrophobicContact CB-CH2 4.17Å; P837-W840 HydrophobicContact CB-CZ2 4.33Å; P837-W840 HydrophobicContact CB-CZ3 4.2Å; P837-W840 HydrophobicContact CG-CH2 3.77Å; P837-W840 HydrophobicContact CG-CZ2 3.72Å; P837-W840 HydrophobicContact CG-CZ3 4.31Å; P837-W840 PolarHBondContact O-N 3.16Å; W840-I846 HydrophobicContact CB-CG2 4.4Å; W840-A847 WeakPolarHBondContact O-CA 3.48Å; W840-A847 WeakPolarHBondContact O-CB 3.37Å; W840-A847 PolarHBondContact O-N 2.88Å; W840-A847 VanDerWaalsContact O-N 3.13Å; W840-C850 HydrophobicContact CB-CB 3.66Å; W840-C850 HydrophobicContact CG-CB 4.13Å; W840-A854 HydrophobicContact CB-CB 4.47Å; W840-A854 HydrophobicContact CD2-CB 3.7Å; W840-A854 HydrophobicContact CE3-CB 3.43Å; W840-A854 VanDerWaalsContact CE3-CB 3.43Å; W840-A854 HydrophobicContact CG-CB 4.2Å; W840-A854 HydrophobicContact CH2-CB 4.38Å; W840-A854 VanDerWaalsContact CZ3-CA 3.48Å; W840-A854 HydrophobicContact CZ3-CB 3.82Å; W840-A854 WeakPolarHBondContact CZ3-O 3.4Å; W840-H857 HydrophobicContact CH2-CB 3.8Å; W840-H857 AromaticContact CH2-CD2 3.53Å; W840-H857 AromaticContact CH2-CG 3.64Å; W840-H857 HydrophobicContact CZ3-CB 3.74Å; W840-H857 AromaticContact CZ3-CD2 3.45Å; W840-H857 VanDerWaalsContact CZ3-CD2 3.45Å; W840-H857 WeakPolarHBondContact CZ3-CD2 3.36Å; W840-H857 AromaticContact CZ3-CG 3.78Å; W840-C858 VanDerWaalsContact CE3-SG 3.51Å; W840-C858 PolarHBondContact O-SG 3.24Å; W840-C858 VanDerWaalsContact O-SG 3.39Å
841	C	89.6	Confident	82.3	Confident	12 Å²	12	69.8 Å²	69.8	8%	0.081	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.8	167.2	-56.8	0	0	0	0	114.7	P837 Y839 S843 C858 V862 W863	P837-C841 VanDerWaalsContact O-CB 3.27Å; P837-C841 WeakPolarHBondContact O-CB 3.2Å; P837-C841 PolarHBondContact O-N 2.04Å; Y839-C841 VanDerWaalsContact C-N 3.31Å; Y839-C841 PolarHBondContact O-N 2.82Å; C841-S843 VanDerWaalsContact C-N 3.33Å; C841-C858 WeakPolarHBondContact CA-SG 3.46Å; C841-C858 HydrophobicContact CB-CB 3.77Å; C841-C858 WeakPolarHBondContact CB-SG 3.39Å; C841-C858 WeakPolarHBondContact SG-CA 3.48Å; C841-C858 WeakPolarHBondContact SG-CB 3.23Å; C841-C858 CovalentContact SG-SG 2.04Å; C841-C858 PolarHBondContact SG-SG 2.88Å; C841-V862 HydrophobicContact CB-CB 4.16Å; C841-V862 HydrophobicContact CB-CG1 3.97Å; C841-V862 HydrophobicContact CB-CG2 4.1Å; C841-W863 HydrophobicContact CB-CZ2 4.24Å; C841-W863 WeakPolarHBondContact O-CZ2 3.47Å; C841-W863 PolarHBondContact O-NE1 3.18Å
842	Q	83.5	Confident	83.6	Confident	128 Å²	128	68.5 Å²	68.5	60%	0.598	36%	0.362	S	S	*	.	S	Bend	trans	-66.3	-32	172.8	-71	176.5	9	0	0	112.9	S838 Y839 I846	S838-Q842 WeakPolarHBondContact O-CG 3.24Å; S838-Q842 PolarHBondContact O-NE2 3.39Å; Y839-Q842 WeakPolarHBondContact O-CB 3.41Å; Y839-Q842 VanDerWaalsContact O-CG 3.22Å; Y839-Q842 WeakPolarHBondContact O-CG 3.24Å; Y839-Q842 PolarHBondContact O-N 2.66Å; Y839-Q842 VanDerWaalsContact O-N 3.16Å; Q842-I846 HydrophobicContact CB-CD1 3.89Å
843	S	87.2	Confident	84.6	Confident	32 Å²	32	70.2 Å²	70.2	22%	0.224	38%	0.38	C	S	.	.			trans	-157	166.3	174.4	86.4	0	0	0	0	112.1	C841 E845 I846 A847	C841-S843 VanDerWaalsContact C-N 3.33Å; S843-E845 VanDerWaalsContact C-N 3.31Å; S843-E845 WeakPolarHBondContact CB-OE2 3.32Å; S843-E845 PolarHBondContact O-N 3.25Å; S843-E845 PolarHBondContact OG-N 2.92Å; S843-E845 PolarHBondContact OG-OE2 3.24Å; S843-I846 PolarHBondContact O-N 3.5Å; S843-I846 WeakPolarHBondContact OG-CG1 3.49Å; S843-I846 PolarHBondContact OG-N 3.08Å; S843-A847 WeakPolarHBondContact O-CB 3.02Å; S843-A847 PolarHBondContact O-N 2.8Å
844	E	89.3	Confident	84.9	Confident	73 Å²	73	68.2 Å²	68.2	34%	0.341	37%	0.367	S	S	.	.	H	α-helix	trans	-67.1	-30.8	176.3	-146.4	-160.9	177.4	0	0	112.3	K848 L855 K859 W863	E844-K848 HydrophobicContact CG-CD 4.32Å; E844-K848 VanDerWaalsContact O-CB 3.26Å; E844-K848 WeakPolarHBondContact O-CB 3.22Å; E844-K848 VanDerWaalsContact O-CD 3.32Å; E844-K848 WeakPolarHBondContact O-CD 3.43Å; E844-K848 WeakPolarHBondContact O-CG 3.02Å; E844-K848 PolarHBondContact O-N 3.2Å; E844-K848 VanDerWaalsContact OE1-CE 3.23Å; E844-K848 WeakPolarHBondContact OE1-CE 3.46Å; E844-K848 IonicContact OE1-NZ 3.2Å; E844-K848 PolarHBondContact OE1-NZ 3.14Å; E844-K848 IonicContact OE2-NZ 2.65Å; E844-K848 PolarHBondContact OE2-NZ 3.07Å; E844-L855 HydrophobicContact CG-CD1 3.51Å; E844-K859 WeakPolarHBondContact OE1-CE 2.9Å; E844-K859 IonicContact OE1-NZ 2.75Å; E844-K859 PolarHBondContact OE1-NZ 3.26Å; E844-W863 HydrophobicContact CB-CH2 4.25Å; E844-W863 HydrophobicContact CB-CZ3 4.44Å; E844-W863 HydrophobicContact CG-CH2 4.22Å; E844-W863 HydrophobicContact CG-CZ3 4.01Å
845	E	87.1	Confident	85.6	Confident	120 Å²	120	65.9 Å²	65.9	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-67.6	-39.6	174.7	-53	82.5	179.7	0	0	112.2	S843 K849	S843-E845 VanDerWaalsContact C-N 3.31Å; S843-E845 WeakPolarHBondContact CB-OE2 3.32Å; S843-E845 PolarHBondContact O-N 3.25Å; S843-E845 PolarHBondContact OG-N 2.92Å; S843-E845 PolarHBondContact OG-OE2 3.24Å; E845-K849 WeakPolarHBondContact O-CB 3.3Å; E845-K849 VanDerWaalsContact O-CG 3.23Å; E845-K849 WeakPolarHBondContact O-CG 3.36Å; E845-K849 PolarHBondContact O-N 3.42Å
846	I	84.2	Confident	86.3	Confident	31 Å²	31	63.9 Å²	63.9	16%	0.159	35%	0.348	C	S	.	.	H	α-helix	trans	-72	-41	179.1	-56.8	168.6	0	0	0	109.6	Y839 W840 Q842 S843 K848 K849 C850	Y839-I846 HydrophobicContact CD1-CG2 3.83Å; Y839-I846 HydrophobicContact CE1-CG2 3.34Å; Y839-I846 HydrophobicContact CE2-CG2 4.3Å; Y839-I846 HydrophobicContact CG-CG2 4.48Å; W840-I846 HydrophobicContact CB-CG2 4.4Å; Q842-I846 HydrophobicContact CB-CD1 3.89Å; S843-I846 PolarHBondContact O-N 3.5Å; S843-I846 WeakPolarHBondContact OG-CG1 3.49Å; S843-I846 PolarHBondContact OG-N 3.08Å; I846-K848 PolarHBondContact O-N 3.45Å; I846-K849 PolarHBondContact O-N 3.33Å; I846-C850 PolarHBondContact O-N 3.21Å; I846-C850 PolarHBondContact O-SG 3.18Å; I846-C850 VanDerWaalsContact O-SG 3.4Å
847	A	90.6	Very high	86.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-44.9	174.6	0	0	0	0	0	112	W840 S843 K849 C850 G851 L855 C858 W863	W840-A847 WeakPolarHBondContact O-CA 3.48Å; W840-A847 WeakPolarHBondContact O-CB 3.37Å; W840-A847 PolarHBondContact O-N 2.88Å; W840-A847 VanDerWaalsContact O-N 3.13Å; S843-A847 WeakPolarHBondContact O-CB 3.02Å; S843-A847 PolarHBondContact O-N 2.8Å; A847-K849 PolarHBondContact O-N 3.03Å; A847-C850 CarbonylContact O-C 3.51Å; A847-C850 PolarHBondContact O-N 2.81Å; A847-C850 VanDerWaalsContact O-N 3.13Å; A847-G851 PolarHBondContact O-N 2.88Å; A847-G851 VanDerWaalsContact O-N 3.17Å; A847-L855 HydrophobicContact CB-CB 4.34Å; A847-L855 HydrophobicContact CB-CD1 3.89Å; A847-C858 HydrophobicContact CB-CB 4.41Å; A847-W863 HydrophobicContact CB-CH2 3.68Å; A847-W863 HydrophobicContact CB-CZ2 4.49Å; A847-W863 HydrophobicContact CB-CZ3 4.46Å
848	K	90.8	Very high	87.4	Confident	108 Å²	108	63.5 Å²	63.5	47%	0.47	34%	0.336	S	S	.	.	H	α-helix	trans	-58.7	-44.8	172.7	-77.1	163.3	178.3	165.7	0	111.9	E844 I846 C850 G851 L855	E844-K848 HydrophobicContact CG-CD 4.32Å; E844-K848 VanDerWaalsContact O-CB 3.26Å; E844-K848 WeakPolarHBondContact O-CB 3.22Å; E844-K848 VanDerWaalsContact O-CD 3.32Å; E844-K848 WeakPolarHBondContact O-CD 3.43Å; E844-K848 WeakPolarHBondContact O-CG 3.02Å; E844-K848 PolarHBondContact O-N 3.2Å; E844-K848 VanDerWaalsContact OE1-CE 3.23Å; E844-K848 WeakPolarHBondContact OE1-CE 3.46Å; E844-K848 IonicContact OE1-NZ 3.2Å; E844-K848 PolarHBondContact OE1-NZ 3.14Å; E844-K848 IonicContact OE2-NZ 2.65Å; E844-K848 PolarHBondContact OE2-NZ 3.07Å; I846-K848 PolarHBondContact O-N 3.45Å; K848-C850 PolarHBondContact O-N 2.8Å; K848-G851 PolarHBondContact O-N 3.42Å; K848-L855 HydrophobicContact CG-CD1 4.15Å; K848-L855 HydrophobicContact CG-CD2 3.86Å
849	K	88.2	Confident	88	Confident	167 Å²	167	62.8 Å²	62.8	73%	0.726	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-23.6	175.9	-76.4	169.1	-177.8	175.2	0	113.6	E845 I846 A847	E845-K849 WeakPolarHBondContact O-CB 3.3Å; E845-K849 VanDerWaalsContact O-CG 3.23Å; E845-K849 WeakPolarHBondContact O-CG 3.36Å; E845-K849 PolarHBondContact O-N 3.42Å; I846-K849 PolarHBondContact O-N 3.33Å; A847-K849 PolarHBondContact O-N 3.03Å
850	C	89.2	Confident	88.1	Confident	27 Å²	27	62.8 Å²	62.8	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	8.9	178	-62.3	0	0	0	0	114.4	C833 W840 I846 A847 K848 A854	C833-C850 WeakPolarHBondContact CA-SG 3.2Å; C833-C850 HydrophobicContact CB-CB 3.56Å; C833-C850 WeakPolarHBondContact CB-SG 3.41Å; C833-C850 WeakPolarHBondContact SG-CA 3.29Å; C833-C850 WeakPolarHBondContact SG-CB 3.31Å; C833-C850 CovalentContact SG-SG 2.04Å; C833-C850 PolarHBondContact SG-SG 3.31Å; W840-C850 HydrophobicContact CB-CB 3.66Å; W840-C850 HydrophobicContact CG-CB 4.13Å; I846-C850 PolarHBondContact O-N 3.21Å; I846-C850 PolarHBondContact O-SG 3.18Å; I846-C850 VanDerWaalsContact O-SG 3.4Å; A847-C850 CarbonylContact O-C 3.51Å; A847-C850 PolarHBondContact O-N 2.81Å; A847-C850 VanDerWaalsContact O-N 3.13Å; K848-C850 PolarHBondContact O-N 2.8Å; C850-A854 HydrophobicContact CB-CB 3.89Å
851	G	89	Confident	87.8	Confident	31 Å²	31	68.3 Å²	68.3	32%	0.32	35%	0.352	S	S	.	.			trans	96.9	163.2	168.4	0	0	0	0	0	114.6	A847 K848 A853 A854 L855	A847-G851 PolarHBondContact O-N 2.88Å; A847-G851 VanDerWaalsContact O-N 3.17Å; K848-G851 PolarHBondContact O-N 3.42Å; G851-A853 VanDerWaalsContact C-N 3.26Å; G851-A853 PolarHBondContact O-N 3.33Å; G851-A854 WeakPolarHBondContact O-CA 3.18Å; G851-A854 WeakPolarHBondContact O-CB 3.09Å; G851-A854 PolarHBondContact O-N 3.38Å; G851-L855 PolarHBondContact O-N 2.86Å
852	N	88.1	Confident	87.1	Confident	132 Å²	132	70.7 Å²	70.7	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-31.6	-171.5	-65.3	-10.1	0	0	0	113.4	L855 E856	N852-L855 PolarHBondContact O-N 3.18Å; N852-E856 WeakPolarHBondContact O-CB 3.2Å; N852-E856 PolarHBondContact O-N 3.3Å
853	A	87.4	Confident	87.1	Confident	85 Å²	85	67 Å²	67	70%	0.702	35%	0.347	S	S	*	.	H	α-helix	trans	-67.5	-34.6	174.1	0	0	0	0	0	112.8	G851 H857	G851-A853 VanDerWaalsContact C-N 3.26Å; G851-A853 PolarHBondContact O-N 3.33Å; A853-H857 WeakPolarHBondContact O-CB 3.37Å; A853-H857 PolarHBondContact O-N 3.33Å
854	A	89	Confident	86.1	Confident	6 Å²	6	69.7 Å²	69.7	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-67.2	-49.1	171.7	0	0	0	0	0	110.1	W840 C850 G851 E856 H857 C858	W840-A854 HydrophobicContact CB-CB 4.47Å; W840-A854 HydrophobicContact CD2-CB 3.7Å; W840-A854 HydrophobicContact CE3-CB 3.43Å; W840-A854 VanDerWaalsContact CE3-CB 3.43Å; W840-A854 HydrophobicContact CG-CB 4.2Å; W840-A854 HydrophobicContact CH2-CB 4.38Å; W840-A854 VanDerWaalsContact CZ3-CA 3.48Å; W840-A854 HydrophobicContact CZ3-CB 3.82Å; W840-A854 WeakPolarHBondContact CZ3-O 3.4Å; C850-A854 HydrophobicContact CB-CB 3.89Å; G851-A854 WeakPolarHBondContact O-CA 3.18Å; G851-A854 WeakPolarHBondContact O-CB 3.09Å; G851-A854 PolarHBondContact O-N 3.38Å; A854-E856 VanDerWaalsContact C-N 3.35Å; A854-E856 PolarHBondContact O-N 2.8Å; A854-H857 PolarHBondContact O-N 3.02Å; A854-C858 PolarHBondContact O-N 3.48Å; A854-C858 PolarHBondContact O-SG 3.3Å
855	L	91	Very high	84.2	Confident	21 Å²	21	71 Å²	71	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-55.6	-45.1	176.3	-174.9	61.6	0	0	0	113.3	E844 A847 K848 G851 N852 C858 K859 W863	E844-L855 HydrophobicContact CG-CD1 3.51Å; A847-L855 HydrophobicContact CB-CB 4.34Å; A847-L855 HydrophobicContact CB-CD1 3.89Å; K848-L855 HydrophobicContact CG-CD1 4.15Å; K848-L855 HydrophobicContact CG-CD2 3.86Å; G851-L855 PolarHBondContact O-N 2.86Å; N852-L855 PolarHBondContact O-N 3.18Å; L855-C858 PolarHBondContact O-N 2.79Å; L855-K859 HydrophobicContact CD1-CD 4.27Å; L855-K859 HydrophobicContact CG-CD 4.2Å; L855-K859 WeakPolarHBondContact O-CB 3.29Å; L855-K859 WeakPolarHBondContact O-CG 3.34Å; L855-K859 PolarHBondContact O-N 2.99Å; L855-W863 HydrophobicContact CD1-CZ3 4.14Å
856	E	88.9	Confident	82.3	Confident	103 Å²	103	72 Å²	72	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-43.2	176.7	-85.5	-57.5	115.6	0	0	112.6	N852 A854 C858 K859 T860	N852-E856 WeakPolarHBondContact O-CB 3.2Å; N852-E856 PolarHBondContact O-N 3.3Å; A854-E856 VanDerWaalsContact C-N 3.35Å; A854-E856 PolarHBondContact O-N 2.8Å; E856-C858 VanDerWaalsContact C-N 3.31Å; E856-C858 PolarHBondContact O-N 3.02Å; E856-K859 PolarHBondContact O-N 3.19Å; E856-T860 VanDerWaalsContact O-CB 3.3Å; E856-T860 WeakPolarHBondContact O-CB 3.37Å; E856-T860 WeakPolarHBondContact O-CG2 3.32Å; E856-T860 PolarHBondContact O-N 2.85Å; E856-T860 PolarHBondContact O-OG1 3.3Å; E856-T860 WeakPolarHBondContact OE2-CG2 3.44Å
857	H	87.8	Confident	80.5	Confident	67 Å²	67	74.5 Å²	74.5	31%	0.31	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-41.1	174.5	175.5	104.1	0	0	0	111.2	W840 A853 A854 T860 K861	W840-H857 HydrophobicContact CH2-CB 3.8Å; W840-H857 AromaticContact CH2-CD2 3.53Å; W840-H857 AromaticContact CH2-CG 3.64Å; W840-H857 HydrophobicContact CZ3-CB 3.74Å; W840-H857 AromaticContact CZ3-CD2 3.45Å; W840-H857 VanDerWaalsContact CZ3-CD2 3.45Å; W840-H857 WeakPolarHBondContact CZ3-CD2 3.36Å; W840-H857 AromaticContact CZ3-CG 3.78Å; A853-H857 WeakPolarHBondContact O-CB 3.37Å; A853-H857 PolarHBondContact O-N 3.33Å; A854-H857 PolarHBondContact O-N 3.02Å; H857-T860 PolarHBondContact O-N 3.04Å; H857-K861 WeakPolarHBondContact O-CA 3.22Å; H857-K861 VanDerWaalsContact O-CB 3.23Å; H857-K861 WeakPolarHBondContact O-CB 3.29Å; H857-K861 PolarHBondContact O-N 3.33Å
858	C	90.7	Very high	78.2	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	43%	0.429	C	S	.	.	I	π-helix	trans	-62.5	-49.6	174.9	-56.2	0	0	0	0	111.5	W840 C841 A847 A854 L855 E856 T860 V862 W863	W840-C858 VanDerWaalsContact CE3-SG 3.51Å; W840-C858 PolarHBondContact O-SG 3.24Å; W840-C858 VanDerWaalsContact O-SG 3.39Å; C841-C858 WeakPolarHBondContact CA-SG 3.46Å; C841-C858 HydrophobicContact CB-CB 3.77Å; C841-C858 WeakPolarHBondContact CB-SG 3.39Å; C841-C858 WeakPolarHBondContact SG-CA 3.48Å; C841-C858 WeakPolarHBondContact SG-CB 3.23Å; C841-C858 CovalentContact SG-SG 2.04Å; C841-C858 PolarHBondContact SG-SG 2.88Å; A847-C858 HydrophobicContact CB-CB 4.41Å; A854-C858 PolarHBondContact O-N 3.48Å; A854-C858 PolarHBondContact O-SG 3.3Å; L855-C858 PolarHBondContact O-N 2.79Å; E856-C858 VanDerWaalsContact C-N 3.31Å; E856-C858 PolarHBondContact O-N 3.02Å; C858-T860 VanDerWaalsContact C-N 3.33Å; C858-T860 PolarHBondContact O-N 3.23Å; C858-V862 CarbonylContact O-C 3.58Å; C858-V862 WeakPolarHBondContact O-CA 3.48Å; C858-V862 PolarHBondContact O-N 3.13Å; C858-W863 HydrophobicContact CB-CD2 3.79Å; C858-W863 HydrophobicContact CB-CE3 3.62Å; C858-W863 HydrophobicContact CB-CH2 3.4Å; C858-W863 HydrophobicContact CB-CZ2 3.59Å; C858-W863 HydrophobicContact CB-CZ3 3.42Å; C858-W863 VanDerWaalsContact CB-CZ3 3.42Å; C858-W863 PolarHBondContact O-N 3.24Å
859	K	88.5	Confident	75.6	Confident	82 Å²	82	79.8 Å²	79.8	36%	0.357	44%	0.438	S	S	.	.	I	π-helix	trans	-61	-37.3	178	-75.5	176.3	177.5	174.6	0	113.5	E844 L855 E856 W863 I864	E844-K859 WeakPolarHBondContact OE1-CE 2.9Å; E844-K859 IonicContact OE1-NZ 2.75Å; E844-K859 PolarHBondContact OE1-NZ 3.26Å; L855-K859 HydrophobicContact CD1-CD 4.27Å; L855-K859 HydrophobicContact CG-CD 4.2Å; L855-K859 WeakPolarHBondContact O-CB 3.29Å; L855-K859 WeakPolarHBondContact O-CG 3.34Å; L855-K859 PolarHBondContact O-N 2.99Å; E856-K859 PolarHBondContact O-N 3.19Å; K859-W863 HydrophobicContact CG-CE3 3.85Å; K859-W863 HydrophobicContact CG-CZ3 4.03Å; K859-I864 WeakPolarHBondContact O-CG1 3.36Å
860	T	83.2	Confident	73.1	Confident	54 Å²	54	81.1 Å²	81.1	33%	0.331	44%	0.444	S	S	.	.	I	π-helix	trans	-104.7	-6.3	-170.5	66.4	0	0	0	0	115.4	E856 H857 C858 I864	E856-T860 VanDerWaalsContact O-CB 3.3Å; E856-T860 WeakPolarHBondContact O-CB 3.37Å; E856-T860 WeakPolarHBondContact O-CG2 3.32Å; E856-T860 PolarHBondContact O-N 2.85Å; E856-T860 PolarHBondContact O-OG1 3.3Å; E856-T860 WeakPolarHBondContact OE2-CG2 3.44Å; H857-T860 PolarHBondContact O-N 3.04Å; C858-T860 VanDerWaalsContact C-N 3.33Å; C858-T860 PolarHBondContact O-N 3.23Å; T860-I864 WeakPolarHBondContact O-CD1 3.41Å
861	K	80.2	Confident	70.4	Confident	155 Å²	155	89.3 Å²	89.3	67%	0.674	48%	0.476	S	S	*	.	I	π-helix	trans	-133.1	-21.4	178.8	-53.5	-65.8	162	-164.3	0	114.9	H857	H857-K861 WeakPolarHBondContact O-CA 3.22Å; H857-K861 VanDerWaalsContact O-CB 3.23Å; H857-K861 WeakPolarHBondContact O-CB 3.29Å; H857-K861 PolarHBondContact O-N 3.33Å
862	V	76.2	Confident	67.9	Low	63 Å²	63	93.3 Å²	93.3	38%	0.382	50%	0.5	S	S	.	.	I	π-helix	trans	-116.5	-41.4	-174.7	-172.8	0	0	0	0	112.9	C841 C858	C841-V862 HydrophobicContact CB-CB 4.16Å; C841-V862 HydrophobicContact CB-CG1 3.97Å; C841-V862 HydrophobicContact CB-CG2 4.1Å; C858-V862 CarbonylContact O-C 3.58Å; C858-V862 WeakPolarHBondContact O-CA 3.48Å; C858-V862 PolarHBondContact O-N 3.13Å
863	W	83.2	Confident	65.1	Low	51 Å²	51	92.3 Å²	92.3	19%	0.193	50%	0.503	C	S	.	.	S	Bend	trans	-101.5	-3.9	-173.9	-55.4	-34	0	0	0	114.8	C841 E844 A847 L855 C858 K859 T865 M866	C841-W863 HydrophobicContact CB-CZ2 4.24Å; C841-W863 WeakPolarHBondContact O-CZ2 3.47Å; C841-W863 PolarHBondContact O-NE1 3.18Å; E844-W863 HydrophobicContact CB-CH2 4.25Å; E844-W863 HydrophobicContact CB-CZ3 4.44Å; E844-W863 HydrophobicContact CG-CH2 4.22Å; E844-W863 HydrophobicContact CG-CZ3 4.01Å; A847-W863 HydrophobicContact CB-CH2 3.68Å; A847-W863 HydrophobicContact CB-CZ2 4.49Å; A847-W863 HydrophobicContact CB-CZ3 4.46Å; L855-W863 HydrophobicContact CD1-CZ3 4.14Å; C858-W863 HydrophobicContact CB-CD2 3.79Å; C858-W863 HydrophobicContact CB-CE3 3.62Å; C858-W863 HydrophobicContact CB-CH2 3.4Å; C858-W863 HydrophobicContact CB-CZ2 3.59Å; C858-W863 HydrophobicContact CB-CZ3 3.42Å; C858-W863 VanDerWaalsContact CB-CZ3 3.42Å; C858-W863 PolarHBondContact O-N 3.24Å; K859-W863 HydrophobicContact CG-CE3 3.85Å; K859-W863 HydrophobicContact CG-CZ3 4.03Å; W863-T865 PolarHBondContact O-N 3.4Å; W863-T865 VanDerWaalsContact O-N 3.08Å; W863-M866 PolarHBondContact O-N 3.32Å
864	I	65.9	Low	62.6	Low	87 Å²	87	97.3 Å²	97.3	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-49.3	-38.5	179.8	-77.1	-164.7	0	0	0	112.6	K859 T860 S867	K859-I864 WeakPolarHBondContact O-CG1 3.36Å; T860-I864 WeakPolarHBondContact O-CD1 3.41Å; I864-S867 PolarHBondContact O-OG 3.03Å
865	T	50.1	Low	59.7	Low	102 Å²	102	106.5 Å²	106.5	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-80.3	-14.2	-176.7	44.7	0	0	0	0	113.7	W863	W863-T865 PolarHBondContact O-N 3.4Å; W863-T865 VanDerWaalsContact O-N 3.08Å
866	M	46.7	Very low	57	Low	139 Å²	139	113.4 Å²	113.4	69%	0.685	59%	0.585	S	S	*	*	H	α-helix	trans	-81.6	-23	-178.6	-63.6	-170	74.6	0	0	113.8	W863	W863-M866 PolarHBondContact O-N 3.32Å
867	S	46.5	Very low	54.2	Low	84 Å²	84	114.5 Å²	114.5	59%	0.587	60%	0.599	S	S	*	*	H	α-helix	trans	-89.4	-23	-179.3	55.4	0	0	0	0	114.3	I864	I864-S867 PolarHBondContact O-OG 3.03Å
868	N	40.6	Very low	51.9	Low	126 Å²	126	116.8 Å²	116.8	67%	0.674	62%	0.623	S	S	*	*	S	Bend	trans	-100.4	-3	-168	-74.9	-26.5	0	0	0	115.5	K870	N868-K870 PolarHBondContact O-N 3.1Å; N868-K870 VanDerWaalsContact O-N 3.16Å
869	S	37.8	Very low	49.6	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-1.5	-178.9	58.1	0	0	0	0	115.4	K871	S869-K871 VanDerWaalsContact C-N 3.26Å; S869-K871 PolarHBondContact O-N 3.39Å
870	K	35.1	Very low	47.7	Very low	194 Å²	194	128.2 Å²	128.2	84%	0.843	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	8	-178.9	-78.3	-172.2	174.1	-179.6	0	115.7	N868	N868-K870 PolarHBondContact O-N 3.1Å; N868-K870 VanDerWaalsContact O-N 3.16Å
871	K	33.4	Very low	46.3	Very low	199 Å²	199	128.4 Å²	128.4	87%	0.865	68%	0.684	S	S	*	*	S	Bend	trans	-142.3	63.3	-179	-70.9	-169.1	177.8	-178.3	0	114.8	S869	S869-K871 VanDerWaalsContact C-N 3.26Å; S869-K871 PolarHBondContact O-N 3.39Å
872	S	35.2	Very low	45.7	Very low	116 Å²	116	127 Å²	127	81%	0.811	68%	0.684	S	S	*	*			trans	-155.3	143.4	144.3	-167.2	0	0	0	0	110
873	S	29.7	Very low	45.6	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	69%	0.686	S	S	*	*			trans	-111.6	91.8	-167.2	55.7	0	0	0	0	112.7
874	H	35.5	Very low	45.5	Very low	190 Å²	190	127.5 Å²	127.5	88%	0.88	69%	0.686	S	S	*	*			trans	-126.7	141.5	154.7	-91.6	-84.3	0	0	0	110.6
875	K	28.5	Very low	46.1	Very low	200 Å²	200	128.4 Å²	128.4	87%	0.87	70%	0.696	S	S	*	*			trans	-108.2	87.2	-160.1	-176.7	-170.8	178	-173.6	0	110.7
876	I	33	Very low	47.4	Very low	165 Å²	165	131.7 Å²	131.7	85%	0.846	70%	0.697	S	S	*	*			trans	-125.7	143.8	169.9	-58.8	-177	0	0	0	108.7
877	T	30.5	Very low	48.8	Very low	126 Å²	126	126 Å²	126	77%	0.773	67%	0.673	S	S	*	*			trans	-111.3	101.6	-158.6	48	0	0	0	0	114
878	S	39.3	Very low	50.3	Low	116 Å²	116	124.5 Å²	124.5	81%	0.811	66%	0.662	S	S	*	*			trans	-164.4	162.5	153.8	53.9	0	0	0	0	111.1
879	K	43.2	Very low	52	Low	195 Å²	195	123.5 Å²	123.5	85%	0.848	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.1	145.1	168.5	-112.6	171.3	173	174.6	0	108.8	D881	K879-D881 PolarHBondContact O-N 2.85Å
880	P	47.7	Very low	54.3	Low	126 Å²	126	120.4 Å²	120.4	82%	0.818	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-60.6	123.8	168.2	26.5	-33.3	0	0	0	109.2	N882	P880-N882 PolarHBondContact O-N 3.11Å
881	D	55.1	Low	56.8	Low	58 Å²	58	113.9 Å²	113.9	31%	0.31	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-66.4	122.5	-179.9	-169.4	-18.6	0	0	0	109.2	K879 K883 C884 L900	K879-D881 PolarHBondContact O-N 2.85Å; D881-K883 PolarHBondContact O-N 3.41Å; D881-K883 WeakPolarHBondContact OD1-CG 3.35Å; D881-K883 PolarHBondContact OD1-N 2.83Å; D881-K883 VanDerWaalsContact OD1-N 3.17Å; D881-K883 IonicContact OD1-NZ 3.37Å; D881-K883 WeakPolarHBondContact OD2-CD 3.44Å; D881-K883 WeakPolarHBondContact OD2-CE 3.07Å; D881-K883 IonicContact OD2-NZ 2.69Å; D881-K883 PolarHBondContact OD2-NZ 3.26Å; D881-C884 PolarHBondContact O-N 2.77Å; D881-L900 HydrophobicContact CB-CD2 4.29Å
882	N	66.2	Low	59.5	Low	127 Å²	127	105 Å²	105	68%	0.679	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-55	-28.9	-176.6	-170.4	17.4	0	0	0	111.9	P880 C884 T885	P880-N882 PolarHBondContact O-N 3.11Å; N882-C884 PolarHBondContact O-N 2.04Å; N882-T885 WeakPolarHBondContact O-CB 3.21Å; N882-T885 WeakPolarHBondContact O-CG2 3.39Å; N882-T885 PolarHBondContact O-N 3.13Å; N882-T885 VanDerWaalsContact O-N 3.13Å; N882-T885 PolarHBondContact O-OG1 3.49Å; N882-T885 PolarHBondContact OD1-OG1 2.87Å
883	K	75.1	Confident	61.8	Low	94 Å²	94	102.9 Å²	102.9	41%	0.409	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-56.4	-34.8	177.7	-57.8	167.5	-158.9	142.4	0	112.9	D881 T885 R886 F890	D881-K883 PolarHBondContact O-N 3.41Å; D881-K883 WeakPolarHBondContact OD1-CG 3.35Å; D881-K883 PolarHBondContact OD1-N 2.83Å; D881-K883 VanDerWaalsContact OD1-N 3.17Å; D881-K883 IonicContact OD1-NZ 3.37Å; D881-K883 WeakPolarHBondContact OD2-CD 3.44Å; D881-K883 WeakPolarHBondContact OD2-CE 3.07Å; D881-K883 IonicContact OD2-NZ 2.69Å; D881-K883 PolarHBondContact OD2-NZ 3.26Å; K883-T885 PolarHBondContact O-N 3.48Å; K883-R886 VanDerWaalsContact O-CB 3.24Å; K883-R886 WeakPolarHBondContact O-CB 3.46Å; K883-R886 VanDerWaalsContact O-CG 3.25Å; K883-R886 WeakPolarHBondContact O-CG 3.4Å; K883-R886 PolarHBondContact O-N 3.25Å; K883-R886 VanDerWaalsContact O-N 3.12Å; K883-F890 HydrophobicContact CB-CD1 4.12Å; K883-F890 HydrophobicContact CB-CD2 4.46Å; K883-F890 HydrophobicContact CB-CE1 3.55Å; K883-F890 HydrophobicContact CB-CE2 3.94Å; K883-F890 HydrophobicContact CB-CZ 3.46Å; K883-F890 VanDerWaalsContact CB-CZ 3.46Å; K883-F890 HydrophobicContact CD-CE2 4.35Å; K883-F890 HydrophobicContact CD-CZ 3.89Å; K883-F890 HydrophobicContact CG-CZ 4.23Å; K883-F890 VanDerWaalsContact O-CD1 3.31Å; K883-F890 WeakPolarHBondContact O-CD1 3.39Å
884	C	80.2	Confident	64.5	Low	30 Å²	30	99.4 Å²	99.4	20%	0.203	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-65.5	-21	-179.3	-66.4	0	0	0	0	114.2	D881 N882 R886 W891 C901	D881-C884 PolarHBondContact O-N 2.77Å; N882-C884 PolarHBondContact O-N 2.04Å; C884-R886 PolarHBondContact O-N 2.7Å; C884-W891 PolarHBondContact O-NE1 2.7Å; C884-C901 WeakPolarHBondContact CA-SG 2.91Å; C884-C901 HydrophobicContact CB-CB 3.86Å; C884-C901 WeakPolarHBondContact CB-SG 2.98Å; C884-C901 WeakPolarHBondContact SG-CA 3.38Å; C884-C901 WeakPolarHBondContact SG-CB 3.29Å; C884-C901 CovalentContact SG-SG 2.04Å; C884-C901 PolarHBondContact SG-SG 2.96Å
885	T	79.6	Confident	66.9	Low	105 Å²	105	94 Å²	94	64%	0.644	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.6	175.1	68.6	0	0	0	0	113.2	N882 K883 G887	N882-T885 WeakPolarHBondContact O-CB 3.21Å; N882-T885 WeakPolarHBondContact O-CG2 3.39Å; N882-T885 PolarHBondContact O-N 3.13Å; N882-T885 VanDerWaalsContact O-N 3.13Å; N882-T885 PolarHBondContact O-OG1 3.49Å; N882-T885 PolarHBondContact OD1-OG1 2.87Å; K883-T885 PolarHBondContact O-N 3.48Å; T885-G887 PolarHBondContact O-N 2.9Å; T885-G887 VanDerWaalsContact O-N 3.16Å
886	R	77.5	Confident	69.5	Low	171 Å²	171	89.9 Å²	89.9	65%	0.645	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-70.7	-2.8	179.9	-64.4	174	171.9	-171	-4.6	114.6	K883 C884 S889 F890	K883-R886 VanDerWaalsContact O-CB 3.24Å; K883-R886 WeakPolarHBondContact O-CB 3.46Å; K883-R886 VanDerWaalsContact O-CG 3.25Å; K883-R886 WeakPolarHBondContact O-CG 3.4Å; K883-R886 PolarHBondContact O-N 3.25Å; K883-R886 VanDerWaalsContact O-N 3.12Å; C884-R886 PolarHBondContact O-N 2.7Å; R886-S889 PolarHBondContact O-OG 2.66Å; R886-F890 HydrophobicContact CB-CB 3.69Å; R886-F890 HydrophobicContact CB-CG 4.36Å
887	G	76.4	Confident	72.1	Confident	19 Å²	19	83.9 Å²	83.9	20%	0.196	47%	0.465	C	S	.	.			trans	78.1	-176.9	177.2	0	0	0	0	0	114.4	T885 S889 F890 W891	T885-G887 PolarHBondContact O-N 2.9Å; T885-G887 VanDerWaalsContact O-N 3.16Å; G887-S889 PolarHBondContact O-N 3.05Å; G887-F890 PolarHBondContact O-N 2.58Å; G887-W891 PolarHBondContact O-N 2.84Å; G887-W891 PolarHBondContact O-NE1 3.11Å
888	P	78.1	Confident	74.9	Confident	54 Å²	54	77.9 Å²	77.9	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-57.9	-21.9	-171.2	-28.8	36.2	0	0	0	115.7	F890 W891 C892	P888-F890 PolarHBondContact O-N 3.18Å; P888-W891 HydrophobicContact CB-CD2 4.41Å; P888-W891 HydrophobicContact CB-CE3 4.43Å; P888-W891 HydrophobicContact CG-CD2 4.38Å; P888-W891 HydrophobicContact CG-CE3 4.4Å; P888-W891 HydrophobicContact CG-CH2 3.93Å; P888-W891 HydrophobicContact CG-CZ2 3.86Å; P888-W891 HydrophobicContact CG-CZ3 4.21Å; P888-C892 WeakPolarHBondContact O-CA 3.48Å; P888-C892 VanDerWaalsContact O-CB 3.23Å; P888-C892 WeakPolarHBondContact O-CB 2.91Å; P888-C892 PolarHBondContact O-N 3.37Å
889	S	75.4	Confident	77.2	Confident	105 Å²	105	78.2 Å²	78.2	73%	0.734	42%	0.415	S	S	*	.	H	α-helix	trans	-66	-18.4	171.7	46.8	0	0	0	0	113.9	R886 G887	R886-S889 PolarHBondContact O-OG 2.66Å; G887-S889 PolarHBondContact O-N 3.05Å
890	F	85.5	Confident	79.3	Confident	29 Å²	29	73.1 Å²	73.1	13%	0.127	40%	0.397	C	S	.	.	H	α-helix	trans	-93.7	-53.2	168.3	177	-98.4	0	0	0	111.9	K883 R886 G887 P888 C892 A893 N897 L900	K883-F890 HydrophobicContact CB-CD1 4.12Å; K883-F890 HydrophobicContact CB-CD2 4.46Å; K883-F890 HydrophobicContact CB-CE1 3.55Å; K883-F890 HydrophobicContact CB-CE2 3.94Å; K883-F890 HydrophobicContact CB-CZ 3.46Å; K883-F890 VanDerWaalsContact CB-CZ 3.46Å; K883-F890 HydrophobicContact CD-CE2 4.35Å; K883-F890 HydrophobicContact CD-CZ 3.89Å; K883-F890 HydrophobicContact CG-CZ 4.23Å; K883-F890 VanDerWaalsContact O-CD1 3.31Å; K883-F890 WeakPolarHBondContact O-CD1 3.39Å; R886-F890 HydrophobicContact CB-CB 3.69Å; R886-F890 HydrophobicContact CB-CG 4.36Å; G887-F890 PolarHBondContact O-N 2.58Å; P888-F890 PolarHBondContact O-N 3.18Å; F890-C892 PolarHBondContact O-N 2.61Å; F890-A893 WeakPolarHBondContact O-CB 3.48Å; F890-A893 PolarHBondContact O-N 2.76Å; F890-N897 HydrophobicContact CE1-CB 4.22Å; F890-N897 HydrophobicContact CZ-CB 4.31Å; F890-N897 VanDerWaalsContact O-CB 3.29Å; F890-N897 WeakPolarHBondContact O-CB 3.07Å; F890-N897 PolarHBondContact O-ND2 2.63Å; F890-N897 VanDerWaalsContact O-ND2 3.09Å; F890-L900 HydrophobicContact CE1-CD2 4.37Å
891	W	87.3	Confident	81.2	Confident	56 Å²	56	68.7 Å²	68.7	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-43.7	-176.5	5.8	-57.1	0	0	0	111.5	C884 G887 P888 A893 N897 A898 C901 A905 H908 C909	C884-W891 PolarHBondContact O-NE1 2.7Å; G887-W891 PolarHBondContact O-N 2.84Å; G887-W891 PolarHBondContact O-NE1 3.11Å; P888-W891 HydrophobicContact CB-CD2 4.41Å; P888-W891 HydrophobicContact CB-CE3 4.43Å; P888-W891 HydrophobicContact CG-CD2 4.38Å; P888-W891 HydrophobicContact CG-CE3 4.4Å; P888-W891 HydrophobicContact CG-CH2 3.93Å; P888-W891 HydrophobicContact CG-CZ2 3.86Å; P888-W891 HydrophobicContact CG-CZ3 4.21Å; W891-A893 PolarHBondContact O-N 2.67Å; W891-N897 CarbonylContact O-C 3.52Å; W891-N897 WeakPolarHBondContact O-CB 3.26Å; W891-A898 WeakPolarHBondContact O-CA 3.32Å; W891-A898 WeakPolarHBondContact O-CB 3.36Å; W891-A898 PolarHBondContact O-N 2.91Å; W891-C901 HydrophobicContact CB-CB 4.14Å; W891-C901 HydrophobicContact CG-CB 4.31Å; W891-A905 HydrophobicContact CB-CB 3.88Å; W891-A905 HydrophobicContact CD2-CB 3.71Å; W891-A905 VanDerWaalsContact CE3-CA 3.45Å; W891-A905 HydrophobicContact CE3-CB 3.42Å; W891-A905 VanDerWaalsContact CE3-CB 3.42Å; W891-A905 HydrophobicContact CG-CB 3.97Å; W891-A905 HydrophobicContact CZ3-CB 4.05Å; W891-H908 HydrophobicContact CE3-CB 4.26Å; W891-H908 AromaticContact CE3-CD2 3.88Å; W891-H908 HydrophobicContact CZ3-CB 3.64Å; W891-H908 AromaticContact CZ3-CD2 3.41Å; W891-H908 VanDerWaalsContact CZ3-CD2 3.41Å; W891-H908 WeakPolarHBondContact CZ3-CD2 3.4Å; W891-H908 AromaticContact CZ3-CG 3.69Å; W891-C909 VanDerWaalsContact C-SG 3.58Å
892	C	89.9	Confident	82.6	Confident	14 Å²	14	67.4 Å²	67.4	10%	0.095	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	18.7	-177.7	-46.8	0	0	0	0	113.8	P888 F890 C909 V913 W914	P888-C892 WeakPolarHBondContact O-CA 3.48Å; P888-C892 VanDerWaalsContact O-CB 3.23Å; P888-C892 WeakPolarHBondContact O-CB 2.91Å; P888-C892 PolarHBondContact O-N 3.37Å; F890-C892 PolarHBondContact O-N 2.61Å; C892-C909 WeakPolarHBondContact CA-SG 3.31Å; C892-C909 HydrophobicContact CB-CB 3.69Å; C892-C909 WeakPolarHBondContact CB-SG 3.5Å; C892-C909 PolarHBondContact N-SG 2.85Å; C892-C909 WeakPolarHBondContact SG-CA 3.37Å; C892-C909 WeakPolarHBondContact SG-CB 3.45Å; C892-C909 CovalentContact SG-SG 2.04Å; C892-C909 PolarHBondContact SG-SG 2.73Å; C892-V913 HydrophobicContact CB-CB 3.97Å; C892-V913 HydrophobicContact CB-CG1 3.8Å; C892-V913 HydrophobicContact CB-CG2 4.02Å; C892-W914 HydrophobicContact CB-CZ2 4.11Å; C892-W914 WeakPolarHBondContact O-CZ2 3.31Å; C892-W914 PolarHBondContact O-NE1 3.48Å
893	A	84.6	Confident	83.3	Confident	70 Å²	70	69.2 Å²	69.2	58%	0.579	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-29.1	168.4	0	0	0	0	0	112.5	F890 W891	F890-A893 WeakPolarHBondContact O-CB 3.48Å; F890-A893 PolarHBondContact O-N 2.76Å; W891-A893 PolarHBondContact O-N 2.67Å
894	S	85.6	Confident	83.4	Confident	37 Å²	37	72.3 Å²	72.3	26%	0.259	39%	0.389	S	S	.	.			trans	-156.3	160.8	172.4	89.7	0	0	0	0	111.2	E896 N897 A898 W914	S894-E896 WeakPolarHBondContact CB-OE2 2.79Å; S894-E896 PolarHBondContact O-N 3.04Å; S894-E896 PolarHBondContact OG-N 2.92Å; S894-E896 PolarHBondContact OG-OE2 2.99Å; S894-N897 PolarHBondContact O-N 3.17Å; S894-N897 PolarHBondContact OG-N 2.71Å; S894-A898 PolarHBondContact O-N 3.07Å; S894-A898 VanDerWaalsContact O-N 3.13Å; S894-W914 VanDerWaalsContact C-CZ2 3.48Å; S894-W914 VanDerWaalsContact O-CH2 3.25Å; S894-W914 WeakPolarHBondContact O-CH2 3.36Å
895	F	85.8	Confident	83.8	Confident	78 Å²	78	71 Å²	71	34%	0.342	38%	0.381	S	S	.	.	H	α-helix	trans	-58.6	-36.6	178.5	-175.1	-104.5	0	0	0	112	A898 K899 E906 L910 W914	F895-A898 PolarHBondContact O-N 3.44Å; F895-K899 HydrophobicContact CE1-CD 4.14Å; F895-K899 WeakPolarHBondContact O-CB 3.4Å; F895-K899 PolarHBondContact O-N 2.89Å; F895-E906 HydrophobicContact CE2-CG 4.03Å; F895-E906 HydrophobicContact CZ-CG 4.36Å; F895-E906 VanDerWaalsContact CZ-OE1 3.29Å; F895-E906 WeakPolarHBondContact CZ-OE1 3.36Å; F895-L910 HydrophobicContact CD2-CD2 4.33Å; F895-L910 HydrophobicContact CE2-CD1 4.27Å; F895-L910 HydrophobicContact CE2-CD2 4.1Å; F895-L910 HydrophobicContact CE2-CG 4.35Å; F895-W914 VanDerWaalsContact CA-CH2 3.46Å; F895-W914 HydrophobicContact CB-CH2 4.34Å; F895-W914 HydrophobicContact CB-CZ3 4.39Å; F895-W914 AromaticContact CD2-CZ3 3.98Å; F895-W914 HydrophobicContact CD2-CZ3 3.98Å
896	E	83.6	Confident	84.1	Confident	112 Å²	112	68.2 Å²	68.2	52%	0.523	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-44.5	178.5	-56.9	64.2	-135.9	0	0	111	S894 A898 K899 L900	S894-E896 WeakPolarHBondContact CB-OE2 2.79Å; S894-E896 PolarHBondContact O-N 3.04Å; S894-E896 PolarHBondContact OG-N 2.92Å; S894-E896 PolarHBondContact OG-OE2 2.99Å; E896-A898 VanDerWaalsContact C-N 3.32Å; E896-A898 PolarHBondContact O-N 2.8Å; E896-K899 PolarHBondContact O-N 3.19Å; E896-L900 WeakPolarHBondContact O-CB 3.3Å; E896-L900 PolarHBondContact O-N 3.19Å
897	N	88.5	Confident	84.5	Confident	40 Å²	40	67.7 Å²	67.7	21%	0.214	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-36.2	175.9	-75.2	-9.9	0	0	0	111.9	F890 W891 S894 C901	F890-N897 HydrophobicContact CE1-CB 4.22Å; F890-N897 HydrophobicContact CZ-CB 4.31Å; F890-N897 VanDerWaalsContact O-CB 3.29Å; F890-N897 WeakPolarHBondContact O-CB 3.07Å; F890-N897 PolarHBondContact O-ND2 2.63Å; F890-N897 VanDerWaalsContact O-ND2 3.09Å; W891-N897 CarbonylContact O-C 3.52Å; W891-N897 WeakPolarHBondContact O-CB 3.26Å; S894-N897 PolarHBondContact O-N 3.17Å; S894-N897 PolarHBondContact OG-N 2.71Å; N897-C901 PolarHBondContact O-N 3.34Å; N897-C901 VanDerWaalsContact O-N 3.13Å; N897-C901 PolarHBondContact O-SG 2.86Å
898	A	89.1	Confident	84.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-46.8	176.8	0	0	0	0	0	110.8	W891 S894 F895 E896 C901 G902 A905 E906 C909 W914	W891-A898 WeakPolarHBondContact O-CA 3.32Å; W891-A898 WeakPolarHBondContact O-CB 3.36Å; W891-A898 PolarHBondContact O-N 2.91Å; S894-A898 PolarHBondContact O-N 3.07Å; S894-A898 VanDerWaalsContact O-N 3.13Å; F895-A898 PolarHBondContact O-N 3.44Å; E896-A898 VanDerWaalsContact C-N 3.32Å; E896-A898 PolarHBondContact O-N 2.8Å; A898-C901 CarbonylContact O-C 3.56Å; A898-C901 PolarHBondContact O-N 3.01Å; A898-G902 PolarHBondContact O-N 2.72Å; A898-A905 VanDerWaalsContact O-CB 3.25Å; A898-A905 WeakPolarHBondContact O-CB 3.1Å; A898-E906 PolarHBondContact O-N 3.33Å; A898-C909 HydrophobicContact CB-CB 3.83Å; A898-C909 VanDerWaalsContact CB-SG 3.56Å; A898-W914 HydrophobicContact CB-CH2 3.67Å; A898-W914 HydrophobicContact CB-CZ3 4.18Å
899	K	87	Confident	85.4	Confident	122 Å²	122	66.6 Å²	66.6	53%	0.53	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.6	-167.5	163.9	-168.5	164.2	0	112.9	F895 E896 C901 G902	F895-K899 HydrophobicContact CE1-CD 4.14Å; F895-K899 WeakPolarHBondContact O-CB 3.4Å; F895-K899 PolarHBondContact O-N 2.89Å; E896-K899 PolarHBondContact O-N 3.19Å; K899-C901 PolarHBondContact O-N 3.09Å; K899-G902 PolarHBondContact O-N 2.94Å
900	L	88.3	Confident	85.6	Confident	89 Å²	89	65 Å²	65	47%	0.466	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-27.1	174.4	179.2	143.9	0	0	0	112.5	D881 F890 E896	D881-L900 HydrophobicContact CB-CD2 4.29Å; F890-L900 HydrophobicContact CE1-CD2 4.37Å; E896-L900 WeakPolarHBondContact O-CB 3.3Å; E896-L900 PolarHBondContact O-N 3.19Å
901	C	86.7	Confident	85.2	Confident	32 Å²	32	67.6 Å²	67.6	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.7	172.5	-59.7	0	0	0	0	114.2	C884 W891 N897 A898 K899 A905	C884-C901 WeakPolarHBondContact CA-SG 2.91Å; C884-C901 HydrophobicContact CB-CB 3.86Å; C884-C901 WeakPolarHBondContact CB-SG 2.98Å; C884-C901 WeakPolarHBondContact SG-CA 3.38Å; C884-C901 WeakPolarHBondContact SG-CB 3.29Å; C884-C901 CovalentContact SG-SG 2.04Å; C884-C901 PolarHBondContact SG-SG 2.96Å; W891-C901 HydrophobicContact CB-CB 4.14Å; W891-C901 HydrophobicContact CG-CB 4.31Å; N897-C901 PolarHBondContact O-N 3.34Å; N897-C901 VanDerWaalsContact O-N 3.13Å; N897-C901 PolarHBondContact O-SG 2.86Å; A898-C901 CarbonylContact O-C 3.56Å; A898-C901 PolarHBondContact O-N 3.01Å; K899-C901 PolarHBondContact O-N 3.09Å; C901-A905 HydrophobicContact CB-CB 3.56Å
902	G	84.5	Confident	84.6	Confident	32 Å²	32	68.7 Å²	68.7	33%	0.33	35%	0.354	S	S	.	.			trans	88	172	171.2	0	0	0	0	0	115.3	A898 K899 H904 A905 E906	A898-G902 PolarHBondContact O-N 2.72Å; K899-G902 PolarHBondContact O-N 2.94Å; G902-H904 PolarHBondContact O-N 3.31Å; G902-H904 VanDerWaalsContact O-N 3.07Å; G902-A905 WeakPolarHBondContact O-CA 2.88Å; G902-A905 WeakPolarHBondContact O-CB 3.17Å; G902-A905 PolarHBondContact O-N 3.43Å; G902-E906 PolarHBondContact O-N 3.15Å
903	E	80.3	Confident	83.9	Confident	164 Å²	164	71.1 Å²	71.1	77%	0.766	37%	0.368	S	S	*	.	H	α-helix	trans	-54	-33.8	-171.9	-62.2	179.1	149.8	0	0	114.4	A905 W907	E903-A905 VanDerWaalsContact C-N 3.33Å; E903-W907 WeakPolarHBondContact O-CB 3.46Å; E903-W907 PolarHBondContact O-N 2.87Å
904	H	78.1	Confident	83.7	Confident	159 Å²	159	69.4 Å²	69.4	74%	0.736	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-35.1	175.3	-88.8	50.1	0	0	0	112.7	G902 H908	G902-H904 PolarHBondContact O-N 3.31Å; G902-H904 VanDerWaalsContact O-N 3.07Å; H904-H908 VanDerWaalsContact O-CB 3.31Å; H904-H908 WeakPolarHBondContact O-CB 3.37Å; H904-H908 PolarHBondContact O-N 3.34Å; H904-H908 VanDerWaalsContact O-N 3.09Å
905	A	87.5	Confident	82.6	Confident	3 Å²	3	68.6 Å²	68.6	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-76.4	-45.9	176.2	0	0	0	0	0	110.7	W891 A898 C901 G902 E903 W907 H908 C909	W891-A905 HydrophobicContact CB-CB 3.88Å; W891-A905 HydrophobicContact CD2-CB 3.71Å; W891-A905 VanDerWaalsContact CE3-CA 3.45Å; W891-A905 HydrophobicContact CE3-CB 3.42Å; W891-A905 VanDerWaalsContact CE3-CB 3.42Å; W891-A905 HydrophobicContact CG-CB 3.97Å; W891-A905 HydrophobicContact CZ3-CB 4.05Å; A898-A905 VanDerWaalsContact O-CB 3.25Å; A898-A905 WeakPolarHBondContact O-CB 3.1Å; C901-A905 HydrophobicContact CB-CB 3.56Å; G902-A905 WeakPolarHBondContact O-CA 2.88Å; G902-A905 WeakPolarHBondContact O-CB 3.17Å; G902-A905 PolarHBondContact O-N 3.43Å; E903-A905 VanDerWaalsContact C-N 3.33Å; A905-W907 VanDerWaalsContact C-N 3.35Å; A905-W907 PolarHBondContact O-N 2.83Å; A905-H908 PolarHBondContact O-N 2.86Å; A905-C909 WeakPolarHBondContact O-CB 3.23Å; A905-C909 PolarHBondContact O-N 2.77Å; A905-C909 PolarHBondContact O-SG 2.92Å
906	E	86.2	Confident	81	Confident	46 Å²	46	72 Å²	72	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-52.8	-49.5	171.1	-170.4	169.9	169.2	0	0	111.7	F895 A898 G902 H908 C909 L910	F895-E906 HydrophobicContact CE2-CG 4.03Å; F895-E906 HydrophobicContact CZ-CG 4.36Å; F895-E906 VanDerWaalsContact CZ-OE1 3.29Å; F895-E906 WeakPolarHBondContact CZ-OE1 3.36Å; A898-E906 PolarHBondContact O-N 3.33Å; G902-E906 PolarHBondContact O-N 3.15Å; E906-H908 PolarHBondContact O-N 2.68Å; E906-C909 PolarHBondContact O-N 2.59Å; E906-L910 HydrophobicContact CG-CD1 3.95Å; E906-L910 WeakPolarHBondContact O-CB 3.21Å; E906-L910 VanDerWaalsContact O-CG 3.3Å; E906-L910 WeakPolarHBondContact O-CG 3.4Å; E906-L910 PolarHBondContact O-N 2.89Å
907	W	86.7	Confident	79.5	Confident	160 Å²	160	72.5 Å²	72.5	61%	0.606	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-46.4	177.4	-175.8	92.2	0	0	0	112.8	E903 A905 N911 V912	E903-W907 WeakPolarHBondContact O-CB 3.46Å; E903-W907 PolarHBondContact O-N 2.87Å; A905-W907 VanDerWaalsContact C-N 3.35Å; A905-W907 PolarHBondContact O-N 2.83Å; W907-N911 HydrophobicContact CD2-CB 4.39Å; W907-N911 HydrophobicContact CZ2-CB 4.2Å; W907-N911 PolarHBondContact NE1-ND2 2.91Å; W907-N911 VanDerWaalsContact O-CB 3.26Å; W907-N911 WeakPolarHBondContact O-CB 3.23Å; W907-N911 PolarHBondContact O-N 3.29Å; W907-N911 PolarHBondContact O-ND2 2.83Å; W907-V912 HydrophobicContact CH2-CG2 4.42Å; W907-V912 HydrophobicContact CZ3-CG2 3.97Å
908	H	83.7	Confident	77.1	Confident	50 Å²	50	77 Å²	77	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-64.6	-43.6	180	-177.7	73.5	0	0	0	111.5	W891 H904 A905 E906 V912 V913	W891-H908 HydrophobicContact CE3-CB 4.26Å; W891-H908 AromaticContact CE3-CD2 3.88Å; W891-H908 HydrophobicContact CZ3-CB 3.64Å; W891-H908 AromaticContact CZ3-CD2 3.41Å; W891-H908 VanDerWaalsContact CZ3-CD2 3.41Å; W891-H908 WeakPolarHBondContact CZ3-CD2 3.4Å; W891-H908 AromaticContact CZ3-CG 3.69Å; H904-H908 VanDerWaalsContact O-CB 3.31Å; H904-H908 WeakPolarHBondContact O-CB 3.37Å; H904-H908 PolarHBondContact O-N 3.34Å; H904-H908 VanDerWaalsContact O-N 3.09Å; A905-H908 PolarHBondContact O-N 2.86Å; E906-H908 PolarHBondContact O-N 2.68Å; H908-V912 WeakPolarHBondContact O-CA 3.29Å; H908-V912 WeakPolarHBondContact O-CB 3.44Å; H908-V912 PolarHBondContact O-N 3.02Å; H908-V913 PolarHBondContact O-N 3.43Å
909	C	88.8	Confident	74.8	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	42%	0.419	C	S	.	.	I	π-helix	trans	-68.9	-43.6	-179.4	-55.7	0	0	0	0	111.3	W891 C892 A898 A905 E906 V913 W914	W891-C909 VanDerWaalsContact C-SG 3.58Å; C892-C909 WeakPolarHBondContact CA-SG 3.31Å; C892-C909 HydrophobicContact CB-CB 3.69Å; C892-C909 WeakPolarHBondContact CB-SG 3.5Å; C892-C909 PolarHBondContact N-SG 2.85Å; C892-C909 WeakPolarHBondContact SG-CA 3.37Å; C892-C909 WeakPolarHBondContact SG-CB 3.45Å; C892-C909 CovalentContact SG-SG 2.04Å; C892-C909 PolarHBondContact SG-SG 2.73Å; A898-C909 HydrophobicContact CB-CB 3.83Å; A898-C909 VanDerWaalsContact CB-SG 3.56Å; A905-C909 WeakPolarHBondContact O-CB 3.23Å; A905-C909 PolarHBondContact O-N 2.77Å; A905-C909 PolarHBondContact O-SG 2.92Å; E906-C909 PolarHBondContact O-N 2.59Å; C909-V913 PolarHBondContact O-N 3.49Å; C909-W914 VanDerWaalsContact C-CE3 3.4Å; C909-W914 HydrophobicContact CB-CD2 3.95Å; C909-W914 HydrophobicContact CB-CE3 3.61Å; C909-W914 HydrophobicContact CB-CH2 3.34Å; C909-W914 HydrophobicContact CB-CZ2 3.74Å; C909-W914 HydrophobicContact CB-CZ3 3.27Å; C909-W914 WeakPolarHBondContact O-CB 3.3Å; C909-W914 PolarHBondContact O-N 2.95Å
910	L	79.6	Confident	72.4	Confident	72 Å²	72	88.6 Å²	88.6	38%	0.377	44%	0.438	S	S	.	.	I	π-helix	trans	-62.3	-46.1	174.3	-73.2	171.8	0	0	0	113.5	F895 E906 W914 S915	F895-L910 HydrophobicContact CD2-CD2 4.33Å; F895-L910 HydrophobicContact CE2-CD1 4.27Å; F895-L910 HydrophobicContact CE2-CD2 4.1Å; F895-L910 HydrophobicContact CE2-CG 4.35Å; E906-L910 HydrophobicContact CG-CD1 3.95Å; E906-L910 WeakPolarHBondContact O-CB 3.21Å; E906-L910 VanDerWaalsContact O-CG 3.3Å; E906-L910 WeakPolarHBondContact O-CG 3.4Å; E906-L910 PolarHBondContact O-N 2.89Å; L910-W914 HydrophobicContact CD2-CE3 4.26Å; L910-S915 WeakPolarHBondContact O-CA 3.27Å; L910-S915 VanDerWaalsContact O-CB 3.31Å; L910-S915 WeakPolarHBondContact O-CB 2.91Å; L910-S915 PolarHBondContact O-N 3.43Å
911	N	77.3	Confident	69.9	Low	83 Å²	83	93.6 Å²	93.6	44%	0.444	46%	0.456	S	S	.	.	I	π-helix	trans	-97	-24.8	-167.4	-64.6	-82.2	0	0	0	114.3	W907 S915	W907-N911 HydrophobicContact CD2-CB 4.39Å; W907-N911 HydrophobicContact CZ2-CB 4.2Å; W907-N911 PolarHBondContact NE1-ND2 2.91Å; W907-N911 VanDerWaalsContact O-CB 3.26Å; W907-N911 WeakPolarHBondContact O-CB 3.23Å; W907-N911 PolarHBondContact O-N 3.29Å; W907-N911 PolarHBondContact O-ND2 2.83Å; N911-S915 WeakPolarHBondContact O-CB 3.42Å; N911-S915 PolarHBondContact O-OG 3.31Å
912	V	75.5	Confident	67.2	Low	79 Å²	79	97.1 Å²	97.1	48%	0.479	48%	0.481	S	S	.	.	I	π-helix	trans	-112.5	-34.6	-174.9	-168.5	0	0	0	0	112.8	W907 H908	W907-V912 HydrophobicContact CH2-CG2 4.42Å; W907-V912 HydrophobicContact CZ3-CG2 3.97Å; H908-V912 WeakPolarHBondContact O-CA 3.29Å; H908-V912 WeakPolarHBondContact O-CB 3.44Å; H908-V912 PolarHBondContact O-N 3.02Å
913	V	74.4	Confident	64.7	Low	65 Å²	65	103.1 Å²	103.1	39%	0.394	51%	0.506	S	S	.	.	I	π-helix	trans	-103.5	-50.1	-173.8	-174.2	0	0	0	0	113.2	C892 H908 C909	C892-V913 HydrophobicContact CB-CB 3.97Å; C892-V913 HydrophobicContact CB-CG1 3.8Å; C892-V913 HydrophobicContact CB-CG2 4.02Å; H908-V913 PolarHBondContact O-N 3.43Å; C909-V913 PolarHBondContact O-N 3.49Å
914	W	81.2	Confident	62.6	Low	35 Å²	35	100.5 Å²	100.5	13%	0.133	51%	0.505	C	S	.	.	S	Bend	trans	-97.2	3.6	-179.4	-49.9	-42.4	0	0	0	113.7	C892 S894 F895 A898 C909 L910 N916 I917	C892-W914 HydrophobicContact CB-CZ2 4.11Å; C892-W914 WeakPolarHBondContact O-CZ2 3.31Å; C892-W914 PolarHBondContact O-NE1 3.48Å; S894-W914 VanDerWaalsContact C-CZ2 3.48Å; S894-W914 VanDerWaalsContact O-CH2 3.25Å; S894-W914 WeakPolarHBondContact O-CH2 3.36Å; F895-W914 VanDerWaalsContact CA-CH2 3.46Å; F895-W914 HydrophobicContact CB-CH2 4.34Å; F895-W914 HydrophobicContact CB-CZ3 4.39Å; F895-W914 AromaticContact CD2-CZ3 3.98Å; F895-W914 HydrophobicContact CD2-CZ3 3.98Å; A898-W914 HydrophobicContact CB-CH2 3.67Å; A898-W914 HydrophobicContact CB-CZ3 4.18Å; C909-W914 VanDerWaalsContact C-CE3 3.4Å; C909-W914 HydrophobicContact CB-CD2 3.95Å; C909-W914 HydrophobicContact CB-CE3 3.61Å; C909-W914 HydrophobicContact CB-CH2 3.34Å; C909-W914 HydrophobicContact CB-CZ2 3.74Å; C909-W914 HydrophobicContact CB-CZ3 3.27Å; C909-W914 WeakPolarHBondContact O-CB 3.3Å; C909-W914 PolarHBondContact O-N 2.95Å; L910-W914 HydrophobicContact CD2-CE3 4.26Å; W914-N916 PolarHBondContact O-N 3.02Å; W914-I917 HydrophobicContact CB-CD1 4.25Å; W914-I917 WeakPolarHBondContact O-CB 3Å; W914-I917 PolarHBondContact O-N 3.24Å
915	S	62.9	Low	60.5	Low	20 Å²	20	101.1 Å²	101.1	14%	0.14	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.1	-176	55.4	0	0	0	0	114.7	L910 N911 K919	L910-S915 WeakPolarHBondContact O-CA 3.27Å; L910-S915 VanDerWaalsContact O-CB 3.31Å; L910-S915 WeakPolarHBondContact O-CB 2.91Å; L910-S915 PolarHBondContact O-N 3.43Å; N911-S915 WeakPolarHBondContact O-CB 3.42Å; N911-S915 PolarHBondContact O-OG 3.31Å; S915-K919 WeakPolarHBondContact O-CD 3.4Å; S915-K919 WeakPolarHBondContact O-CE 3.33Å; S915-K919 WeakPolarHBondContact O-CG 3.23Å
916	N	51.5	Low	57.9	Low	148 Å²	148	107.7 Å²	107.7	79%	0.791	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.6	171	-64.1	-31.9	0	0	0	114	W914	W914-N916 PolarHBondContact O-N 3.02Å
917	I	50.7	Low	55.6	Low	124 Å²	124	114.2 Å²	114.2	64%	0.636	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-32	-174.9	-59.6	177.1	0	0	0	111.9	W914	W914-I917 HydrophobicContact CB-CD1 4.25Å; W914-I917 WeakPolarHBondContact O-CB 3Å; W914-I917 PolarHBondContact O-N 3.24Å
918	H	40.1	Very low	54	Low	134 Å²	134	111.9 Å²	111.9	62%	0.62	59%	0.593	S	S	*	*	S	Bend	trans	-106.3	-6.7	-170.1	-71.1	-90.6	0	0	0	116.2	F920 K921	H918-F920 PolarHBondContact O-N 2.84Å; H918-K921 PolarHBondContact O-N 3.04Å
919	K	40.1	Very low	52.4	Low	153 Å²	153	115.2 Å²	115.2	67%	0.665	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	17.6	-168.6	-81.9	-174.6	-177.1	170.8	0	117.5	S915	S915-K919 WeakPolarHBondContact O-CD 3.4Å; S915-K919 WeakPolarHBondContact O-CE 3.33Å; S915-K919 WeakPolarHBondContact O-CG 3.23Å
920	F	36.8	Very low	50.4	Low	212 Å²	212	121.6 Å²	121.6	93%	0.93	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	12.3	171.3	-86.2	-75.6	0	0	0	114.3	H918	H918-F920 PolarHBondContact O-N 2.84Å
921	K	34.3	Very low	48.7	Very low	195 Å²	195	124.5 Å²	124.5	85%	0.848	66%	0.661	S	S	*	*			trans	-129.8	79.2	167	-78.2	-168.7	173.4	-172.7	0	110.9	H918	H918-K921 PolarHBondContact O-N 3.04Å
922	S	32	Very low	46.9	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	68%	0.675	S	S	*	*			trans	-131.7	61.3	168.3	65.4	0	0	0	0	110.5
923	D	30.8	Very low	45	Very low	159 Å²	159	130.3 Å²	130.3	85%	0.85	69%	0.688	S	S	*	*	S	Bend	trans	-155.5	133.4	155.4	-98.5	-38.4	0	0	0	109.3
924	S	35.5	Very low	42.9	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	71%	0.709	S	S	*	*	S	Bend	trans	66.5	117.9	179.9	71.1	0	0	0	0	119.4
925	I	35.7	Very low	40	Very low	173 Å²	173	142.6 Å²	142.6	89%	0.887	75%	0.753	S	S	*	*			trans	83.8	142.9	153	-57.2	164.1	0	0	0	117.3
926	N	32	Very low	38	Very low	140 Å²	140	152.8 Å²	152.8	75%	0.749	81%	0.805	S	S	*	*			trans	-149.5	155.1	-159.8	157.7	99.3	0	0	0	108
927	P	37	Very low	36.8	Very low	183 Å²	183	153.3 Å²	153.3	100%	1.188	81%	0.806	S	S	*	*			cis	-105.5	0	2.8	36.9	-25.5	0	0	0	114.7

Retrieved 927 of 927 residues in 190.2 ms (Link to these results)

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