A0A077Z8W5_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z8W5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,254 aa.

						>A0A077Z8W5_TRITR|A0A077Z8W5
MAIWVILFLRNYSPSVGILQVVVNEQIVALLKPPNRLVRPARWEALLEQCRVSDLLSMPAAGIDVRLNEKKKTSAEGAFTGEIFASKAAVMVVDPCPCPDPPLALRHMESFLRRVLKNRRDRIRTSPILMSSSQHPCYQANRLTLCSDSRRWSLASLPSSGYDTPESSTFSSRYSSQEKLIAIVNELRIGNSGSNESGSFCDEHHHHHHSRHHHHHHHQHGHGPKSPGIRWRSRSFSSGFSATQSDHEELARSSSSVYKTRFPKAKQHMEEKLNTFIKENCIDASSMLADNEPSKQLLSIISDGCARFVHHQIVELASDCLTKSEQDLISSAYFYEMTENLQSILEEAKVKAIEFYPLLKEISTKLMIIVSRPARLLECFEFDPKEFYQMLEEVETFIRENEDLKQSVPQYVLHKLGLRPLDSIDALFDLDRRDDEIDGSAGDKTKQEGNEHHSLAAPAKRVQLKEEDFETVKLISNGAYGAVVLVRSKETRQRFALKKVKKSNVVLRNQLEQVFAERDILTFSDNPFVVSFYGSFETKNHLCLLLEYVEGGDCATLLKNVTVLPVEMARLYIAETVLAVEYLHSYGIVHRDLKPDNLLITATGHVKLTDFGLSKVGLMNRTTVVCEGYVDVTEMKQFQDRQICGTPEYIAPEVILRQGYGKPVDWWAVGVILFEFLVGTVPFFGETPEELFAHVISSEIVFPEEPYCPPTDAVDLIRSLLQVNPLDRLGTVSGAMEVKMHSFFASVDWNTLLRQKAEFIPHLRGEEDTSYFDTRSDRYNHDVESGDEGWSENSSIFSSFSSCSPRYSLLTDSFSAKGSNESTLLLSYDDADPNFPSGSTKSAGDEEFCNTDAKQQQTTVGSCPASALSVSEINNNAKAVMVRPPNALSGGTVSSSVGCSTVPKLSVSFENSTQSSVSKELSPVDEMVVQGGNRVGCSSEIVVFREPRQIQPVVTSSSSSFGCYGREVCKGQQGLHLIIPSDGSVVLPSSMPISTAVQSPSASSGSSYDFSPRNFDGSNDSQPVTVVNCKSPIIIQRGSKGFGFSIKSVRVYMGNTEFYTIQHIVSSVDPTTAAYENGLRTDDLITHVNGSCVENVTQPELLQKLICSGDWLTLKVAALDQTTIKKCDGFRGTTVMARIPRRACFKHKLHRRAMEHRKKASLFRRLSGKRVSAELSGGASNALVQSLHRSISSTDGLCADGTSSSVPCLFSSSFHEGTSTAGGICKSALSPSMFESTLQSHSSSSGSSRPCSLH
					

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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	35.8	Very low	46.9	Very low	70 Å²	70	93.5 Å²	93.5	35%	0.345	46%	0.459	S	S	.	.				0	-104	0	-70.4	-62.5	-160.2	0	0	111.3	I3 W4 V5 S233 Y388	M1-I3 PolarHBondContact O-N 3.4Å; M1-W4 CarbonylContact O-C 3.32Å; M1-W4 VanDerWaalsContact O-CA 3.3Å; M1-W4 WeakPolarHBondContact O-CA 3.27Å; M1-W4 VanDerWaalsContact O-CB 3.27Å; M1-W4 WeakPolarHBondContact O-CB 3.41Å; M1-W4 PolarHBondContact O-N 2.72Å; M1-V5 PolarHBondContact O-N 3.22Å; M1-S233 WeakPolarHBondContact CB-OG 3.33Å; M1-S233 VanDerWaalsContact CG-CB 3.42Å; M1-S233 WeakPolarHBondContact CG-OG 3.26Å; M1-Y388 HydrophobicContact CE-CE1 4.43Å; M1-Y388 HydrophobicContact CE-CE2 3.65Å; M1-Y388 VanDerWaalsContact CE-OH 3.25Å; M1-Y388 WeakPolarHBondContact CE-OH 3.19Å
2	A	42.6	Very low	47	Very low	56 Å²	56	98.3 Å²	98.3	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-50.5	-52.6	-175.3	0	0	0	0	0	114	W4 V5 I6	A2-W4 PolarHBondContact O-N 2.83Å; A2-V5 PolarHBondContact O-N 3.21Å; A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.19Å
3	I	46.7	Very low	46.6	Very low	127 Å²	127	92.8 Å²	92.8	65%	0.651	45%	0.449	S	S	*	.	H	α-helix	trans	-58.8	-32.7	174.2	-62	170.7	0	0	0	112.6	M1 L7	M1-I3 PolarHBondContact O-N 3.4Å; I3-L7 HydrophobicContact CG2-CD1 3.94Å; I3-L7 HydrophobicContact CG2-CG 4.43Å; I3-L7 WeakPolarHBondContact O-CB 3.34Å; I3-L7 WeakPolarHBondContact O-CG 3.22Å; I3-L7 PolarHBondContact O-N 2.66Å
4	W	46.8	Very low	46.4	Very low	136 Å²	136	95.9 Å²	95.9	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-73.9	-39.3	178.4	-173.1	84.8	0	0	0	111.9	M1 A2 L7 F8	M1-W4 CarbonylContact O-C 3.32Å; M1-W4 VanDerWaalsContact O-CA 3.3Å; M1-W4 WeakPolarHBondContact O-CA 3.27Å; M1-W4 VanDerWaalsContact O-CB 3.27Å; M1-W4 WeakPolarHBondContact O-CB 3.41Å; M1-W4 PolarHBondContact O-N 2.72Å; A2-W4 PolarHBondContact O-N 2.83Å; W4-L7 PolarHBondContact O-N 3.42Å; W4-F8 VanDerWaalsContact O-CB 3.26Å; W4-F8 WeakPolarHBondContact O-CB 3.41Å; W4-F8 PolarHBondContact O-N 3.02Å
5	V	50.3	Low	46	Very low	61 Å²	61	96.1 Å²	96.1	37%	0.37	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-41	172.7	177.2	0	0	0	0	110.7	M1 A2 F8 L9	M1-V5 PolarHBondContact O-N 3.22Å; A2-V5 PolarHBondContact O-N 3.21Å; V5-F8 PolarHBondContact O-N 3.37Å; V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CB 3.33Å; V5-L9 WeakPolarHBondContact O-CG 3.28Å; V5-L9 PolarHBondContact O-N 3.07Å
6	I	50.3	Low	45.8	Very low	68 Å²	68	92.8 Å²	92.8	35%	0.349	48%	0.48	S	S	.	.	H	α-helix	trans	-60.2	-46.6	173.3	-65.5	161.6	0	0	0	110.7	A2 R10 V23	A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.19Å; I6-R10 WeakPolarHBondContact O-CB 3.25Å; I6-R10 PolarHBondContact O-N 3.45Å; I6-V23 HydrophobicContact CD1-CG1 3.93Å
7	L	47.5	Very low	45.1	Very low	83 Å²	83	89.9 Å²	89.9	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-67.5	-36	177.9	-73.1	168.9	0	0	0	112.9	I3 W4 N11	I3-L7 HydrophobicContact CG2-CD1 3.94Å; I3-L7 HydrophobicContact CG2-CG 4.43Å; I3-L7 WeakPolarHBondContact O-CB 3.34Å; I3-L7 WeakPolarHBondContact O-CG 3.22Å; I3-L7 PolarHBondContact O-N 2.66Å; W4-L7 PolarHBondContact O-N 3.42Å; L7-N11 VanDerWaalsContact O-CG 3.25Å; L7-N11 PolarHBondContact O-N 2.69Å; L7-N11 VanDerWaalsContact O-N 3.13Å; L7-N11 PolarHBondContact O-ND2 3.01Å
8	F	51.2	Low	44.8	Very low	78 Å²	78	92.5 Å²	92.5	34%	0.342	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-52.4	175.2	-177.5	-92.7	0	0	0	110.7	W4 V5 R10 N11 Y12	W4-F8 VanDerWaalsContact O-CB 3.26Å; W4-F8 WeakPolarHBondContact O-CB 3.41Å; W4-F8 PolarHBondContact O-N 3.02Å; V5-F8 PolarHBondContact O-N 3.37Å; F8-R10 PolarHBondContact O-N 3.44Å; F8-N11 PolarHBondContact O-N 3.06Å; F8-Y12 HydrophobicContact CE2-CE2 4.25Å; F8-Y12 HydrophobicContact CZ-CE2 4.38Å; F8-Y12 PolarHBondContact O-N 3.38Å
9	L	48.6	Very low	44.2	Very low	41 Å²	41	92.4 Å²	92.4	22%	0.215	49%	0.49	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177.6	-66.9	171.6	0	0	0	112	V5 N11 Y12 S13 V16 L19	V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CB 3.33Å; V5-L9 WeakPolarHBondContact O-CG 3.28Å; V5-L9 PolarHBondContact O-N 3.07Å; L9-N11 PolarHBondContact O-N 2.98Å; L9-Y12 PolarHBondContact O-N 3.38Å; L9-S13 PolarHBondContact O-N 3.25Å; L9-V16 HydrophobicContact CB-CG1 4.43Å; L9-L19 HydrophobicContact CD1-CD2 4.29Å
10	R	46.5	Very low	43.6	Very low	176 Å²	176	93.9 Å²	93.9	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-27.3	176.3	178.4	175.1	174	172.8	0.2	113.6	I6 F8	I6-R10 WeakPolarHBondContact O-CB 3.25Å; I6-R10 PolarHBondContact O-N 3.45Å; F8-R10 PolarHBondContact O-N 3.44Å
11	N	49.6	Very low	43.2	Very low	132 Å²	132	94.1 Å²	94.1	71%	0.706	50%	0.499	S	S	*	.	H	α-helix	trans	-82.6	-15.3	175.9	-74.1	-16.1	0	0	0	113.4	L7 F8 L9	L7-N11 VanDerWaalsContact O-CG 3.25Å; L7-N11 PolarHBondContact O-N 2.69Å; L7-N11 VanDerWaalsContact O-N 3.13Å; L7-N11 PolarHBondContact O-ND2 3.01Å; F8-N11 PolarHBondContact O-N 3.06Å; L9-N11 PolarHBondContact O-N 2.98Å
12	Y	47.7	Very low	43.2	Very low	151 Å²	151	94.7 Å²	94.7	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-112.7	-15.1	-176.4	-84.2	-83.2	0	0	0	114.8	F8 L9	F8-Y12 HydrophobicContact CE2-CE2 4.25Å; F8-Y12 HydrophobicContact CZ-CE2 4.38Å; F8-Y12 PolarHBondContact O-N 3.38Å; L9-Y12 PolarHBondContact O-N 3.38Å
13	S	42.4	Very low	42.9	Very low	27 Å²	27	93.9 Å²	93.9	19%	0.189	50%	0.495	C	S	.	.			trans	-153.7	136.3	163.1	179.1	0	0	0	0	113.2	L9 S15 V16	L9-S13 PolarHBondContact O-N 3.25Å; S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact OG-N 3.33Å; S13-S15 VanDerWaalsContact OG-N 3.17Å; S13-S15 PolarHBondContact OG-OG 3.49Å; S13-V16 WeakPolarHBondContact O-CG2 3.45Å
14	P	43.3	Very low	42.4	Very low	136 Å²	136	92.3 Å²	92.3	88%	0.883	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.1	172.4	32.4	-35.4	0	0	0	113.9	V16	P14-V16 VanDerWaalsContact C-N 3.27Å; P14-V16 PolarHBondContact O-N 3.26Å
15	S	40.8	Very low	42.1	Very low	99 Å²	99	92 Å²	92	69%	0.692	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	1.2	-176.5	61.7	0	0	0	0	115	S13 G17	S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact OG-N 3.33Å; S13-S15 VanDerWaalsContact OG-N 3.17Å; S13-S15 PolarHBondContact OG-OG 3.49Å; S15-G17 PolarHBondContact O-N 3.19Å
16	V	42.5	Very low	41.4	Very low	44 Å²	44	94.7 Å²	94.7	27%	0.267	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	23.6	-169.4	-168.2	0	0	0	0	113.3	L9 S13 P14 I18 L19	L9-V16 HydrophobicContact CB-CG1 4.43Å; S13-V16 WeakPolarHBondContact O-CG2 3.45Å; P14-V16 VanDerWaalsContact C-N 3.27Å; P14-V16 PolarHBondContact O-N 3.26Å; V16-I18 VanDerWaalsContact C-N 3.29Å; V16-I18 PolarHBondContact O-N 3.27Å; V16-L19 HydrophobicContact CG1-CB 4.03Å; V16-L19 HydrophobicContact CG1-CD1 4.26Å; V16-L19 HydrophobicContact CG1-CD2 4.45Å; V16-L19 HydrophobicContact CG1-CG 4.48Å; V16-L19 PolarHBondContact O-N 3.43Å
17	G	34.4	Very low	40.9	Very low	44 Å²	44	94.3 Å²	94.3	45%	0.454	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31	-176.7	0	0	0	0	0	114.6	S15 Q20	S15-G17 PolarHBondContact O-N 3.19Å; G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 PolarHBondContact O-N 2.99Å
18	I	38.9	Very low	40.5	Very low	136 Å²	136	93.9 Å²	93.9	70%	0.697	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-37.6	-175.6	-61.3	171.7	0	0	0	111.9	V16 Q20 V21	V16-I18 VanDerWaalsContact C-N 3.29Å; V16-I18 PolarHBondContact O-N 3.27Å; I18-Q20 PolarHBondContact O-N 3.35Å; I18-Q20 VanDerWaalsContact O-N 3.16Å; I18-V21 PolarHBondContact O-N 2.76Å
19	L	34.3	Very low	40	Very low	91 Å²	91	93.7 Å²	93.7	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-61.6	-24.3	173.9	-95.4	83.8	0	0	0	112.6	L9 V16 V21 V23	L9-L19 HydrophobicContact CD1-CD2 4.29Å; V16-L19 HydrophobicContact CG1-CB 4.03Å; V16-L19 HydrophobicContact CG1-CD1 4.26Å; V16-L19 HydrophobicContact CG1-CD2 4.45Å; V16-L19 HydrophobicContact CG1-CG 4.48Å; V16-L19 PolarHBondContact O-N 3.43Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.93Å; L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.3Å
20	Q	31.9	Very low	39.4	Very low	121 Å²	121	97.5 Å²	97.5	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-68.8	-25.2	-176.6	-156.5	168	-59.7	0	0	112.6	G17 I18 N24	G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 PolarHBondContact O-N 2.99Å; I18-Q20 PolarHBondContact O-N 3.35Å; I18-Q20 VanDerWaalsContact O-N 3.16Å; Q20-N24 WeakPolarHBondContact O-CB 3.4Å; Q20-N24 PolarHBondContact O-N 3.37Å; Q20-N24 PolarHBondContact O-ND2 3.04Å; Q20-N24 VanDerWaalsContact O-ND2 3.1Å
21	V	35.1	Very low	38.8	Very low	99 Å²	99	95 Å²	95	60%	0.6	53%	0.532	S	S	*	.	H	α-helix	trans	-78.2	-56.9	177.2	-176.6	0	0	0	0	110.7	I18 L19 V23 N24 E25	I18-V21 PolarHBondContact O-N 2.76Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.93Å; V21-V23 VanDerWaalsContact C-N 3.27Å; V21-V23 PolarHBondContact O-N 3.32Å; V21-N24 PolarHBondContact O-N 2.86Å; V21-N24 VanDerWaalsContact O-N 3.09Å; V21-E25 PolarHBondContact O-N 3.17Å; V21-E25 VanDerWaalsContact O-N 3.07Å
22	V	35	Very low	38	Very low	82 Å²	82	96.4 Å²	96.4	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-38	-175.9	-176.6	0	0	0	0	112	Q26	V22-Q26 WeakPolarHBondContact O-CG 3.49Å; V22-Q26 PolarHBondContact O-N 3.35Å
23	V	36.8	Very low	37.4	Very low	40 Å²	40	94.2 Å²	94.2	24%	0.242	54%	0.535	C	S	.	.	H	α-helix	trans	-75	-32.1	179.5	178.4	0	0	0	0	112.1	I6 L19 V21 I27	I6-V23 HydrophobicContact CD1-CG1 3.93Å; L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.3Å; V21-V23 VanDerWaalsContact C-N 3.27Å; V21-V23 PolarHBondContact O-N 3.32Å; V23-I27 HydrophobicContact CG1-CD1 3.65Å; V23-I27 HydrophobicContact CG1-CG1 4.36Å; V23-I27 WeakPolarHBondContact O-CB 3.24Å; V23-I27 WeakPolarHBondContact O-CD1 3.46Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.31Å; V23-I27 VanDerWaalsContact O-N 3.1Å
24	N	36.6	Very low	37.1	Very low	93 Å²	93	99.3 Å²	99.3	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-67.3	-48.5	173.9	-83.3	-18	0	0	0	111.5	Q20 V21 Q26 I27 V28	Q20-N24 WeakPolarHBondContact O-CB 3.4Å; Q20-N24 PolarHBondContact O-N 3.37Å; Q20-N24 PolarHBondContact O-ND2 3.04Å; Q20-N24 VanDerWaalsContact O-ND2 3.1Å; V21-N24 PolarHBondContact O-N 2.86Å; V21-N24 VanDerWaalsContact O-N 3.09Å; N24-Q26 PolarHBondContact O-N 2.88Å; N24-I27 PolarHBondContact O-N 3.14Å; N24-V28 WeakPolarHBondContact O-CG2 3.46Å; N24-V28 PolarHBondContact O-N 2.73Å
25	E	39.3	Very low	36.7	Very low	130 Å²	130	99.4 Å²	99.4	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-57.1	-49.1	177.6	-84.4	-59.3	129.7	0	0	112.1	V21 I27 V28 A29	V21-E25 PolarHBondContact O-N 3.17Å; V21-E25 VanDerWaalsContact O-N 3.07Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.16Å; E25-V28 PolarHBondContact O-N 2.93Å; E25-A29 WeakPolarHBondContact O-CB 3.39Å; E25-A29 PolarHBondContact O-N 3.43Å
26	Q	36.7	Very low	36.2	Very low	118 Å²	118	106.8 Å²	106.8	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-65.4	-33.5	179.1	-69.4	-171.6	6.1	0	0	113	V22 N24 L30	V22-Q26 WeakPolarHBondContact O-CG 3.49Å; V22-Q26 PolarHBondContact O-N 3.35Å; N24-Q26 PolarHBondContact O-N 2.88Å; Q26-L30 WeakPolarHBondContact O-CB 3.27Å; Q26-L30 WeakPolarHBondContact O-CD1 3.4Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.34Å; Q26-L30 PolarHBondContact O-N 3.42Å
27	I	39	Very low	35.7	Very low	59 Å²	59	112.5 Å²	112.5	30%	0.303	60%	0.602	S	S	.	*	H	α-helix	trans	-71.7	-41.2	175.4	-72.7	173.6	0	0	0	111.2	V23 N24 E25 L30 L31	V23-I27 HydrophobicContact CG1-CD1 3.65Å; V23-I27 HydrophobicContact CG1-CG1 4.36Å; V23-I27 WeakPolarHBondContact O-CB 3.24Å; V23-I27 WeakPolarHBondContact O-CD1 3.46Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.31Å; V23-I27 VanDerWaalsContact O-N 3.1Å; N24-I27 PolarHBondContact O-N 3.14Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.16Å; I27-L30 PolarHBondContact O-N 3.3Å; I27-L31 HydrophobicContact CG2-CD1 3.59Å; I27-L31 HydrophobicContact CG2-CG 4.28Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.39Å; I27-L31 PolarHBondContact O-N 3.05Å
28	V	39.1	Very low	35.7	Very low	74 Å²	74	117.1 Å²	117.1	45%	0.448	62%	0.621	S	S	.	*	H	α-helix	trans	-64.3	-40.3	175.7	170.5	0	0	0	0	111.2	N24 E25 L30 L31 K32	N24-V28 WeakPolarHBondContact O-CG2 3.46Å; N24-V28 PolarHBondContact O-N 2.73Å; E25-V28 PolarHBondContact O-N 2.93Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.95Å; V28-L31 PolarHBondContact O-N 3.13Å; V28-K32 PolarHBondContact O-N 3.05Å
29	A	41	Very low	35.4	Very low	74 Å²	74	121.6 Å²	121.6	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-66.1	-32.4	174.7	0	0	0	0	0	113.3	E25	E25-A29 WeakPolarHBondContact O-CB 3.39Å; E25-A29 PolarHBondContact O-N 3.43Å
30	L	36.7	Very low	35.6	Very low	121 Å²	121	121.3 Å²	121.3	63%	0.634	63%	0.633	S	S	*	*	H	α-helix	trans	-83.1	-16.2	177.5	-75.5	169.2	0	0	0	114.3	Q26 I27 V28	Q26-L30 WeakPolarHBondContact O-CB 3.27Å; Q26-L30 WeakPolarHBondContact O-CD1 3.4Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.34Å; Q26-L30 PolarHBondContact O-N 3.42Å; I27-L30 PolarHBondContact O-N 3.3Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.95Å
31	L	32.7	Very low	35.9	Very low	125 Å²	125	119.1 Å²	119.1	65%	0.654	64%	0.636	S	S	*	*	H	α-helix	trans	-106.4	-0.6	-175.5	-69	179.4	0	0	0	115.2	I27 V28 P33	I27-L31 HydrophobicContact CG2-CD1 3.59Å; I27-L31 HydrophobicContact CG2-CG 4.28Å; I27-L31 WeakPolarHBondContact O-CB 3.46Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.39Å; I27-L31 PolarHBondContact O-N 3.05Å; V28-L31 PolarHBondContact O-N 3.13Å; L31-P33 VanDerWaalsContact O-CD 3.25Å; L31-P33 WeakPolarHBondContact O-CD 3.27Å
32	K	32.9	Very low	35.9	Very low	161 Å²	161	125 Å²	125	70%	0.7	65%	0.647	S	S	*	*			trans	-77.6	112.4	171.3	-81.3	178.1	177.1	172	0	111.1	V28	V28-K32 PolarHBondContact O-N 3.05Å
33	P	36.1	Very low	35.9	Very low	104 Å²	104	130 Å²	130	68%	0.675	66%	0.657	S	S	*	*			trans	-75	141.3	177	31.1	-34.4	0	0	0	111.3	L31 N35	L31-P33 VanDerWaalsContact O-CD 3.25Å; L31-P33 WeakPolarHBondContact O-CD 3.27Å; P33-N35 PolarHBondContact O-N 2.73Å; P33-N35 VanDerWaalsContact O-N 3.12Å
34	P	35.2	Very low	35.9	Very low	134 Å²	134	133.4 Å²	133.4	87%	0.87	67%	0.671	S	S	*	*	S	Bend	trans	-69.5	-6.3	-176.5	-23.6	35	0	0	0	116.9
35	N	35.1	Very low	36	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	67%	0.665	S	S	*	*	S	Bend	trans	-118	125	-169.1	-76.4	-28.1	0	0	0	113	P33 L37	P33-N35 PolarHBondContact O-N 2.73Å; P33-N35 VanDerWaalsContact O-N 3.12Å; N35-L37 PolarHBondContact O-N 3.05Å
36	R	31	Very low	35.8	Very low	253 Å²	253	129.4 Å²	129.4	96%	0.955	66%	0.659	S	S	*	*	S	Bend	trans	-67.4	89.5	173.4	-65.3	176.8	175.7	-177.4	-1.9	111.5
37	L	32.2	Very low	35.8	Very low	164 Å²	164	129.5 Å²	129.5	86%	0.859	66%	0.663	S	S	*	*			trans	-162.8	24.8	168.3	-115	163.5	0	0	0	117.6	N35	N35-L37 PolarHBondContact O-N 3.05Å
38	V	33.8	Very low	35.7	Very low	141 Å²	141	131.3 Å²	131.3	86%	0.855	67%	0.67	S	S	*	*			trans	-133.1	135.2	172.6	-172.9	0	0	0	0	110.1
39	R	33	Very low	35.5	Very low	230 Å²	230	135.5 Å²	135.5	87%	0.868	68%	0.684	S	S	*	*			trans	-81.5	145.3	-177.7	-68.7	-172	178.1	-163.8	-0.3	112.3	A41	R39-A41 PolarHBondContact O-N 3.3Å
40	P	37.7	Very low	35.2	Very low	85 Å²	85	136.5 Å²	136.5	55%	0.552	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-28.7	-170.6	-21.8	34.5	0	0	0	116.4	R42 W43 E44	P40-R42 PolarHBondContact O-N 3.38Å; P40-W43 PolarHBondContact O-N 3.16Å; P40-E44 WeakPolarHBondContact CB-OE1 3.4Å; P40-E44 PolarHBondContact O-N 3.25Å
41	A	39.3	Very low	34.8	Very low	76 Å²	76	138 Å²	138	63%	0.628	68%	0.683	S	S	*	*	H	α-helix	trans	-60.2	-6.2	-159.6	0	0	0	0	0	117.7	R39	R39-A41 PolarHBondContact O-N 3.3Å
42	R	35.8	Very low	34.8	Very low	222 Å²	222	137.7 Å²	137.7	84%	0.838	69%	0.686	S	S	*	*	H	α-helix	trans	-103.3	-10	174.9	-150.3	175.5	-172	176.6	3.1	114	P40	P40-R42 PolarHBondContact O-N 3.38Å
43	W	34.5	Very low	34.6	Very low	187 Å²	187	132.6 Å²	132.6	71%	0.708	67%	0.671	S	S	*	*	H	α-helix	trans	-93.9	-36.3	171.7	-115.9	-156.6	0	0	0	111.2	P40 A45 L46 L47	P40-W43 PolarHBondContact O-N 3.16Å; W43-A45 PolarHBondContact O-N 3.1Å; W43-L46 HydrophobicContact CE3-CD1 3.91Å; W43-L46 HydrophobicContact CZ3-CD1 3.56Å; W43-L46 PolarHBondContact O-N 3.07Å; W43-L46 VanDerWaalsContact O-N 3.1Å; W43-L47 PolarHBondContact O-N 3.09Å; W43-L47 VanDerWaalsContact O-N 3.07Å
44	E	37.5	Very low	34.4	Very low	112 Å²	112	134.3 Å²	134.3	52%	0.523	67%	0.674	S	S	.	*	H	α-helix	trans	-57.4	-45.8	172.2	-73.5	167.5	-167.7	0	0	111.5	P40 L46 L47 E48	P40-E44 WeakPolarHBondContact CB-OE1 3.4Å; P40-E44 PolarHBondContact O-N 3.25Å; E44-L46 PolarHBondContact O-N 3.49Å; E44-L46 VanDerWaalsContact O-N 3.08Å; E44-L47 CarbonylContact O-C 3.47Å; E44-L47 WeakPolarHBondContact O-CA 3.42Å; E44-L47 PolarHBondContact O-N 3.43Å; E44-E48 WeakPolarHBondContact O-CG 3.39Å; E44-E48 PolarHBondContact O-N 3.1Å
45	A	38.7	Very low	34.1	Very low	46 Å²	46	134.8 Å²	134.8	38%	0.38	67%	0.669	S	S	.	*	H	α-helix	trans	-60.2	-21.9	176.6	0	0	0	0	0	115.2	W43	W43-A45 PolarHBondContact O-N 3.1Å
46	L	34.8	Very low	33.7	Very low	92 Å²	92	136.3 Å²	136.3	48%	0.482	68%	0.676	S	S	.	*	H	α-helix	trans	-89	-30	174.5	-99.7	163.2	0	0	0	112.3	W43 E44	W43-L46 HydrophobicContact CE3-CD1 3.91Å; W43-L46 HydrophobicContact CZ3-CD1 3.56Å; W43-L46 PolarHBondContact O-N 3.07Å; W43-L46 VanDerWaalsContact O-N 3.1Å; E44-L46 PolarHBondContact O-N 3.49Å; E44-L46 VanDerWaalsContact O-N 3.08Å
47	L	36.5	Very low	33.5	Very low	120 Å²	120	128.2 Å²	128.2	63%	0.628	66%	0.658	S	S	*	*	H	α-helix	trans	-72.6	-31.8	168.5	-69.6	164.1	0	0	0	111.5	W43 E44 Q49 C50 R51	W43-L47 PolarHBondContact O-N 3.09Å; W43-L47 VanDerWaalsContact O-N 3.07Å; E44-L47 CarbonylContact O-C 3.47Å; E44-L47 WeakPolarHBondContact O-CA 3.42Å; E44-L47 PolarHBondContact O-N 3.43Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 3.46Å; L47-C50 CarbonylContact O-C 3.57Å; L47-C50 WeakPolarHBondContact O-CA 3.3Å; L47-C50 PolarHBondContact O-N 3.07Å; L47-R51 PolarHBondContact O-N 3.02Å
48	E	36.1	Very low	33.3	Very low	97 Å²	97	128.6 Å²	128.6	45%	0.453	66%	0.657	S	S	.	*	H	α-helix	trans	-65.9	-30.2	173.6	-76.3	-165	103.9	0	0	113	E44 C50 R51	E44-E48 WeakPolarHBondContact O-CG 3.39Å; E44-E48 PolarHBondContact O-N 3.1Å; E48-C50 PolarHBondContact O-N 3.44Å; E48-R51 VanDerWaalsContact O-CB 3.25Å; E48-R51 WeakPolarHBondContact O-CB 3.25Å; E48-R51 WeakPolarHBondContact O-CD 3.41Å; E48-R51 WeakPolarHBondContact O-CG 3.34Å; E48-R51 PolarHBondContact O-N 3.08Å; E48-R51 IonicContact OE1-CZ 3.48Å; E48-R51 IonicContact OE1-NE 3.44Å; E48-R51 PolarHBondContact OE1-NE 2.88Å; E48-R51 IonicContact OE1-NH2 2.69Å; E48-R51 PolarHBondContact OE1-NH2 2.99Å
49	Q	35.4	Very low	33.1	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-6.9	170	-70.5	-174.8	-11.1	0	0	113	L47	L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 3.46Å
50	C	33.9	Very low	32.9	Very low	95 Å²	95	121.2 Å²	121.2	64%	0.642	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	30.2	169.9	-62.1	0	0	0	0	111.3	L47 E48 V52	L47-C50 CarbonylContact O-C 3.57Å; L47-C50 WeakPolarHBondContact O-CA 3.3Å; L47-C50 PolarHBondContact O-N 3.07Å; E48-C50 PolarHBondContact O-N 3.44Å; C50-V52 PolarHBondContact O-N 3.05Å
51	R	28.6	Very low	32.5	Very low	154 Å²	154	121.4 Å²	121.4	58%	0.581	66%	0.661	S	S	*	*			trans	-53.6	106.9	-175.2	-108.7	166.5	-172.9	-124.9	7.6	112.8	L47 E48 S53	L47-R51 PolarHBondContact O-N 3.02Å; E48-R51 VanDerWaalsContact O-CB 3.25Å; E48-R51 WeakPolarHBondContact O-CB 3.25Å; E48-R51 WeakPolarHBondContact O-CD 3.41Å; E48-R51 WeakPolarHBondContact O-CG 3.34Å; E48-R51 PolarHBondContact O-N 3.08Å; E48-R51 IonicContact OE1-CZ 3.48Å; E48-R51 IonicContact OE1-NE 3.44Å; E48-R51 PolarHBondContact OE1-NE 2.88Å; E48-R51 IonicContact OE1-NH2 2.69Å; E48-R51 PolarHBondContact OE1-NH2 2.99Å; R51-S53 PolarHBondContact O-N 3.44Å
52	V	32.2	Very low	31.9	Very low	118 Å²	118	121.6 Å²	121.6	72%	0.715	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	53.2	163.5	-168.1	0	0	0	0	108.8	C50 L55	C50-V52 PolarHBondContact O-N 3.05Å; V52-L55 HydrophobicContact CG1-CB 4.45Å; V52-L55 HydrophobicContact CG1-CD1 3.96Å
53	S	30	Very low	31.6	Very low	53 Å²	53	119.1 Å²	119.1	37%	0.371	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.3	-16	-179.4	55.8	0	0	0	0	113.9	R51 L55	R51-S53 PolarHBondContact O-N 3.44Å; S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 3.27Å
54	D	30.4	Very low	31.2	Very low	140 Å²	140	114.8 Å²	114.8	75%	0.749	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	11.4	-174.7	-55.5	-10.5	0	0	0	112.1
55	L	30.4	Very low	31	Very low	144 Å²	144	116 Å²	116	75%	0.754	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	7.2	-179.9	-89.8	163.9	0	0	0	114	V52 S53	V52-L55 HydrophobicContact CG1-CB 4.45Å; V52-L55 HydrophobicContact CG1-CD1 3.96Å; S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 3.27Å
56	L	26.9	Very low	30.4	Very low	172 Å²	172	122.8 Å²	122.8	90%	0.901	69%	0.693	S	S	*	*	S	Bend	trans	-124	22.9	174.3	-78.3	168.3	0	0	0	112.3
57	S	27	Very low	30	Very low	83 Å²	83	124.6 Å²	124.6	58%	0.58	70%	0.703	S	S	*	*			trans	-144.6	111.2	-175.2	-170.5	0	0	0	0	112.9
58	M	27.1	Very low	29.7	Very low	171 Å²	171	124.3 Å²	124.3	84%	0.842	70%	0.702	S	S	*	*			trans	69.8	154.3	164.8	-40.5	-135.3	82.1	0	0	117.6
59	P	29.5	Very low	29.4	Very low	101 Å²	101	128.8 Å²	128.8	66%	0.656	72%	0.723	S	S	*	*			cis	-125.3	158.6	-39.8	36.6	-24.3	0	0	0	112.3	A61	P59-A61 PolarHBondContact O-N 3.2Å
60	A	28.4	Very low	29.2	Very low	115 Å²	115	129.5 Å²	129.5	95%	0.95	72%	0.723	S	S	*	*			trans	-71.1	110.8	165.7	0	0	0	0	0	109.9
61	A	29.4	Very low	29	Very low	90 Å²	90	134.7 Å²	134.7	74%	0.744	74%	0.735	S	S	*	*			trans	-132.9	112.8	176.5	0	0	0	0	0	108.9	P59	P59-A61 PolarHBondContact O-N 3.2Å
62	G	27.7	Very low	29	Very low	80 Å²	80	136.2 Å²	136.2	83%	0.825	75%	0.746	S	S	*	*			trans	-88	176	-161.4	0	0	0	0	0	116.3
63	I	28.1	Very low	28.9	Very low	169 Å²	169	136 Å²	136	87%	0.867	75%	0.745	S	S	*	*			trans	-106.2	128.2	157.3	-66.1	177.2	0	0	0	106.6
64	D	27.7	Very low	28.8	Very low	97 Å²	97	139.3 Å²	139.3	52%	0.519	77%	0.768	S	S	.	*			trans	-91.5	121.7	-170.5	-174.5	1.2	0	0	0	111.7	R66	D64-R66 VanDerWaalsContact OD1-CB 3.27Å; D64-R66 WeakPolarHBondContact OD1-CB 3.4Å; D64-R66 WeakPolarHBondContact OD1-CG 3.2Å; D64-R66 PolarHBondContact OD1-N 3.13Å; D64-R66 WeakPolarHBondContact OD2-CD 3.2Å; D64-R66 IonicContact OD2-CZ 3.62Å; D64-R66 IonicContact OD2-NE 3.84Å; D64-R66 IonicContact OD2-NH1 2.72Å; D64-R66 PolarHBondContact OD2-NH1 3.46Å
65	V	31.4	Very low	28.9	Very low	138 Å²	138	136.1 Å²	136.1	84%	0.836	76%	0.761	S	S	*	*			trans	-130.9	55.7	162.1	-164.1	0	0	0	0	110.6
66	R	26.6	Very low	28.8	Very low	188 Å²	188	138.6 Å²	138.6	71%	0.709	77%	0.769	S	S	*	*			trans	-32	136.4	148.7	-95.4	178.5	175.1	128.4	-11.5	111.6	D64	D64-R66 VanDerWaalsContact OD1-CB 3.27Å; D64-R66 WeakPolarHBondContact OD1-CB 3.4Å; D64-R66 WeakPolarHBondContact OD1-CG 3.2Å; D64-R66 PolarHBondContact OD1-N 3.13Å; D64-R66 WeakPolarHBondContact OD2-CD 3.2Å; D64-R66 IonicContact OD2-CZ 3.62Å; D64-R66 IonicContact OD2-NE 3.84Å; D64-R66 IonicContact OD2-NH1 2.72Å; D64-R66 PolarHBondContact OD2-NH1 3.46Å
67	L	27.9	Very low	29	Very low	130 Å²	130	133.7 Å²	133.7	68%	0.681	76%	0.76	S	S	*	*			cis	-175.9	159.1	46.4	-114.6	155	0	0	0	112.1
68	N	30.1	Very low	29.2	Very low	114 Å²	114	134.4 Å²	134.4	61%	0.61	77%	0.771	S	S	*	*			trans	62.3	106.6	153.7	-71.3	-25.9	0	0	0	119.7	K70	N68-K70 PolarHBondContact O-N 3.09Å
69	E	28.1	Very low	29.2	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	77%	0.768	S	S	*	*			trans	-44.7	128.9	130.5	-53	173	108.5	0	0	111
70	K	32	Very low	29.3	Very low	178 Å²	178	136.6 Å²	136.6	77%	0.774	78%	0.777	S	S	*	*			trans	-159.8	109.6	151.1	-115.4	159.1	-169.2	169.2	0	112.4	N68	N68-K70 PolarHBondContact O-N 3.09Å
71	K	29.6	Very low	29.3	Very low	203 Å²	203	134.2 Å²	134.2	88%	0.883	76%	0.764	S	S	*	*			trans	17.4	139.3	147.8	-68.8	179.3	174.6	176.7	0	119.4
72	K	29.1	Very low	29.1	Very low	187 Å²	187	138.6 Å²	138.6	81%	0.813	77%	0.769	S	S	*	*			trans	99.8	107.1	146.5	-84.8	-168.5	169.9	-168.2	0	119.2
73	T	29.4	Very low	29	Very low	114 Å²	114	141 Å²	141	70%	0.699	76%	0.761	S	S	*	*				58.9	129.8	125.1	60.2	0	0	0	0	121.2
74	S	28.6	Very low	28.8	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	76%	0.762	S	S	*	*			trans	68.9	148.6	154.1	-65.6	0	0	0	0	116.4
75	A	31.6	Very low	28.9	Very low	73 Å²	73	141.8 Å²	141.8	60%	0.603	77%	0.77	S	S	*	*			cis	-157.5	-171.3	-17.3	0	0	0	0	0	107.9
76	E	29.7	Very low	28.6	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	77%	0.769	S	S	*	*			trans	20.8	113.5	142.8	-66	154.2	-172.5	0	0	116.8
77	G	30.2	Very low	28.7	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	78%	0.779	S	S	*	*			cis	119.9	162	12.1	0	0	0	0	0	111.1
78	A	30.6	Very low	28.6	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	78%	0.784	S	S	*	*			trans	65.3	163.1	178.2	0	0	0	0	0	114.4
79	F	27.9	Very low	28.5	Very low	180 Å²	180	139.5 Å²	139.5	79%	0.789	79%	0.794	S	S	*	*			cis	-158.7	153.4	-18.8	-140.4	-124.9	0	0	0	107.5
80	T	30.9	Very low	28.4	Very low	138 Å²	138	136.6 Å²	136.6	85%	0.847	79%	0.789	S	S	*	*			trans	57.8	156.3	167.8	47	0	0	0	0	117.5
81	G	27.9	Very low	28.1	Very low	64 Å²	64	136.6 Å²	136.6	66%	0.66	79%	0.794	S	S	*	*			cis	156.3	145.3	-7.8	0	0	0	0	0	111.7
82	E	26.1	Very low	27.9	Very low	182 Å²	182	132.5 Å²	132.5	85%	0.85	79%	0.786	S	S	*	*			trans	69.9	153.5	158	-98.1	177.1	-156.7	0	0	122.1
83	I	26	Very low	28	Very low	130 Å²	130	130.3 Å²	130.3	67%	0.667	79%	0.788	S	S	*	*			trans	79.7	99.5	149.8	-69.2	161.5	0	0	0	120.3
84	F	24.4	Very low	28	Very low	200 Å²	200	131.3 Å²	131.3	88%	0.877	79%	0.789	S	S	*	*			trans	75.9	159.1	133.6	-89.4	-107.5	0	0	0	124
85	A	28.2	Very low	28.1	Very low	83 Å²	83	131.1 Å²	131.1	69%	0.686	79%	0.785	S	S	*	*			trans	77.6	90.2	151.9	0	0	0	0	0	120
86	S	26.6	Very low	27.8	Very low	119 Å²	119	133.5 Å²	133.5	83%	0.832	80%	0.795	S	S	*	*				22.5	111.2	117.4	-46.3	0	0	0	0	118.8
87	K	26.8	Very low	27.8	Very low	208 Å²	208	129.7 Å²	129.7	90%	0.904	79%	0.788	S	S	*	*			trans	-160.7	142.9	141.8	-115.8	158.6	-172.7	171.7	0	113.1
88	A	26.8	Very low	27.7	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	80%	0.795	S	S	*	*			trans	-79	151.7	165.3	0	0	0	0	0	110.4
89	A	28.7	Very low	27.7	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	79%	0.793	S	S	*	*			trans	-132.2	91.3	170.2	0	0	0	0	0	109.6
90	V	24.4	Very low	27.9	Very low	129 Å²	129	131.9 Å²	131.9	78%	0.782	79%	0.793	S	S	*	*			trans	-75.8	127.8	161	175.7	0	0	0	0	107.1	V92	V90-V92 HydrophobicContact CG1-CG2 4.34Å
91	M	26.5	Very low	28.3	Very low	178 Å²	178	131.3 Å²	131.3	88%	0.877	79%	0.792	S	S	*	*			trans	-108.6	119.7	159.2	-77.6	-156.4	-63.7	0	0	109.6
92	V	25.8	Very low	28.9	Very low	117 Å²	117	132.3 Å²	132.3	71%	0.709	79%	0.786	S	S	*	*			trans	-77.9	142.3	167.4	177.5	0	0	0	0	108.4	V90	V90-V92 HydrophobicContact CG1-CG2 4.34Å
93	V	30.7	Very low	29.2	Very low	142 Å²	142	129.6 Å²	129.6	86%	0.861	78%	0.777	S	S	*	*			trans	-130	136.9	158.6	-177.9	0	0	0	0	107.1
94	D	28.7	Very low	29.6	Very low	134 Å²	134	127 Å²	127	72%	0.717	78%	0.775	S	S	*	*			trans	-72.1	155.4	-157.5	-73.6	-69.3	0	0	0	116.5
95	P	31.9	Very low	30.1	Very low	118 Å²	118	124 Å²	124	77%	0.766	77%	0.767	S	S	*	*			trans	-71.7	144.5	175.3	30.8	-35.8	0	0	0	112.3
96	C	25.5	Very low	30.5	Very low	123 Å²	123	128.9 Å²	128.9	83%	0.831	77%	0.768	S	S	*	*			trans	-133	155.6	168.4	-91	0	0	0	0	111.1
97	P	28.9	Very low	31.2	Very low	117 Å²	117	129 Å²	129	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-87.7	158.9	-142.1	32.3	-37.7	0	0	0	115.8
98	C	28	Very low	31.6	Very low	127 Å²	127	124.6 Å²	124.6	86%	0.858	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63	141.7	172.9	-52.4	0	0	0	0	112.9
99	P	31.7	Very low	32.1	Very low	119 Å²	119	124.6 Å²	124.6	77%	0.773	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-101.6	148	145.5	2.3	18.4	0	0	0	110.6
100	D	30.3	Very low	32.8	Very low	147 Å²	147	122.1 Å²	122.1	79%	0.786	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-69	150.4	-168.2	-58.4	-84.1	0	0	0	116.1	P102	D100-P102 VanDerWaalsContact O-CD 3.28Å; D100-P102 WeakPolarHBondContact O-CD 3.35Å
101	P	39.6	Very low	33.8	Very low	126 Å²	126	122.6 Å²	122.6	82%	0.818	69%	0.692	S	S	*	*			trans	-95.6	110.2	175.1	34.8	-31.8	0	0	0	113.8
102	P	40.4	Very low	34.4	Very low	84 Å²	84	118.4 Å²	118.4	55%	0.545	67%	0.672	S	S	.	*			trans	-148.2	78.5	155.9	39.1	-21.5	0	0	0	115.8	D100	D100-P102 VanDerWaalsContact O-CD 3.28Å; D100-P102 WeakPolarHBondContact O-CD 3.35Å
103	L	33.2	Very low	35.2	Very low	125 Å²	125	120.7 Å²	120.7	65%	0.654	67%	0.668	S	S	*	*	S	Bend	trans	-142.2	-47.9	166.8	-110.3	168.1	0	0	0	115.3	R106 H107	L103-R106 PolarHBondContact O-N 2.92Å; L103-H107 PolarHBondContact O-N 3.41Å; L103-H107 VanDerWaalsContact O-N 3.15Å; L103-H107 PolarHBondContact O-ND1 3.18Å
104	A	33.6	Very low	35.7	Very low	77 Å²	77	122.1 Å²	122.1	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-64.3	-48	-178.2	0	0	0	0	0	112.8	R106 H107 M108	A104-R106 PolarHBondContact O-N 3.5Å; A104-H107 PolarHBondContact O-N 3.15Å; A104-M108 PolarHBondContact O-N 3.38Å
105	L	35.7	Very low	36.3	Very low	135 Å²	135	119.1 Å²	119.1	71%	0.707	64%	0.644	S	S	*	*	H	α-helix	trans	-62.4	-38.3	179.1	-83.7	166.6	0	0	0	112.8	M108 E109	L105-M108 PolarHBondContact O-N 3.22Å; L105-E109 WeakPolarHBondContact O-CB 3.46Å; L105-E109 PolarHBondContact O-N 3.25Å
106	R	37.7	Very low	36.7	Very low	187 Å²	187	118.3 Å²	118.3	71%	0.706	63%	0.633	S	S	*	*	H	α-helix	trans	-66.9	-36.4	175	-79.4	-174.4	172.4	179.1	-0.1	112.3	L103 A104 S110	L103-R106 PolarHBondContact O-N 2.92Å; A104-R106 PolarHBondContact O-N 3.5Å; R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 3.11Å
107	H	40.8	Very low	37.1	Very low	121 Å²	121	119.2 Å²	119.2	56%	0.56	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-43.1	172.1	-84.8	113.3	0	0	0	112.1	L103 A104 S110 F111	L103-H107 PolarHBondContact O-N 3.41Å; L103-H107 VanDerWaalsContact O-N 3.15Å; L103-H107 PolarHBondContact O-ND1 3.18Å; A104-H107 PolarHBondContact O-N 3.15Å; H107-S110 PolarHBondContact O-N 2.77Å; H107-S110 PolarHBondContact O-OG 3.07Å; H107-F111 WeakPolarHBondContact O-CB 3.36Å; H107-F111 PolarHBondContact O-N 3.29Å
108	M	35.7	Very low	37.6	Very low	115 Å²	115	120.1 Å²	120.1	57%	0.567	62%	0.621	S	S	*	*	H	α-helix	trans	-61.1	-44.7	173.5	-92	176.8	56.5	0	0	112.8	A104 L105 S110 F111 L112	A104-M108 PolarHBondContact O-N 3.38Å; L105-M108 PolarHBondContact O-N 3.22Å; M108-S110 VanDerWaalsContact C-N 3.35Å; M108-S110 PolarHBondContact O-N 3.32Å; M108-F111 PolarHBondContact O-N 2.73Å; M108-L112 WeakPolarHBondContact O-CB 3.48Å; M108-L112 WeakPolarHBondContact O-CG 3.32Å; M108-L112 PolarHBondContact O-N 3.28Å
109	E	37	Very low	37.9	Very low	96 Å²	96	124.7 Å²	124.7	45%	0.449	62%	0.621	S	S	.	*	H	α-helix	trans	-58.7	-45.2	171.4	-88.3	-141	90.1	0	0	111.6	L105 F111 R113	L105-E109 WeakPolarHBondContact O-CB 3.46Å; L105-E109 PolarHBondContact O-N 3.25Å; E109-F111 VanDerWaalsContact C-N 3.28Å; E109-F111 PolarHBondContact O-N 2.87Å; E109-R113 WeakPolarHBondContact O-CB 3.35Å; E109-R113 WeakPolarHBondContact O-CG 3.27Å; E109-R113 PolarHBondContact O-N 2.77Å; E109-R113 IonicContact OE1-CZ 2.72Å; E109-R113 IonicContact OE1-NE 2.78Å; E109-R113 PolarHBondContact OE1-NE 2.7Å; E109-R113 IonicContact OE1-NH2 3.49Å; E109-R113 PolarHBondContact OE1-NH2 3.25Å; E109-R113 IonicContact OE2-NH2 3.77Å
110	S	43.5	Very low	38	Very low	48 Å²	48	128.7 Å²	128.7	34%	0.336	62%	0.62	S	S	.	*	H	α-helix	trans	-63.2	-36.2	178.5	82.6	0	0	0	0	112.1	R106 H107 M108 R114	R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 3.11Å; H107-S110 PolarHBondContact O-N 2.77Å; H107-S110 PolarHBondContact O-OG 3.07Å; M108-S110 VanDerWaalsContact C-N 3.35Å; M108-S110 PolarHBondContact O-N 3.32Å; S110-R114 WeakPolarHBondContact O-CB 3.19Å; S110-R114 PolarHBondContact O-N 3.32Å
111	F	44.2	Very low	38	Very low	139 Å²	139	127.8 Å²	127.8	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-72.1	-50.1	178.9	-176	-99.1	0	0	0	111.1	H107 M108 E109 R114 V115	H107-F111 WeakPolarHBondContact O-CB 3.36Å; H107-F111 PolarHBondContact O-N 3.29Å; M108-F111 PolarHBondContact O-N 2.73Å; E109-F111 VanDerWaalsContact C-N 3.28Å; E109-F111 PolarHBondContact O-N 2.87Å; F111-R114 PolarHBondContact O-N 3.3Å; F111-V115 HydrophobicContact CD1-CG2 4.33Å; F111-V115 HydrophobicContact CE1-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.17Å; F111-V115 WeakPolarHBondContact O-CB 3.48Å; F111-V115 WeakPolarHBondContact O-CG2 3.44Å; F111-V115 PolarHBondContact O-N 2.82Å
112	L	38.8	Very low	37.7	Very low	89 Å²	89	133.6 Å²	133.6	47%	0.466	62%	0.621	S	S	.	*	H	α-helix	trans	-64.9	-42.2	177.3	-69.4	171.5	0	0	0	111.6	M108 R114 V115 L116	M108-L112 WeakPolarHBondContact O-CB 3.48Å; M108-L112 WeakPolarHBondContact O-CG 3.32Å; M108-L112 PolarHBondContact O-N 3.28Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 3.35Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.12Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.38Å
113	R	42.5	Very low	37.1	Very low	165 Å²	165	137.2 Å²	137.2	62%	0.623	63%	0.634	S	S	*	*	H	α-helix	trans	-63.2	-37	172.4	-69.3	174.4	-175.8	-118	7.9	111.4	E109 K117	E109-R113 WeakPolarHBondContact O-CB 3.35Å; E109-R113 WeakPolarHBondContact O-CG 3.27Å; E109-R113 PolarHBondContact O-N 2.77Å; E109-R113 IonicContact OE1-CZ 2.72Å; E109-R113 IonicContact OE1-NE 2.78Å; E109-R113 PolarHBondContact OE1-NE 2.7Å; E109-R113 IonicContact OE1-NH2 3.49Å; E109-R113 PolarHBondContact OE1-NH2 3.25Å; E109-R113 IonicContact OE2-NH2 3.77Å; R113-K117 WeakPolarHBondContact O-CB 3.48Å; R113-K117 PolarHBondContact O-N 3.38Å
114	R	41.9	Very low	36.9	Very low	172 Å²	172	142.2 Å²	142.2	65%	0.649	64%	0.644	S	S	*	*	H	α-helix	trans	-71	-38.7	176.1	-175.1	172.1	-80.8	151	-6.9	112.5	S110 F111 L112 N118	S110-R114 WeakPolarHBondContact O-CB 3.19Å; S110-R114 PolarHBondContact O-N 3.32Å; F111-R114 PolarHBondContact O-N 3.3Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 3.35Å; R114-N118 VanDerWaalsContact O-CB 3.32Å; R114-N118 WeakPolarHBondContact O-CB 3.34Å; R114-N118 PolarHBondContact O-N 3.49Å; R114-N118 PolarHBondContact O-OD1 2.97Å
115	V	41.5	Very low	36.7	Very low	71 Å²	71	144.5 Å²	144.5	43%	0.43	65%	0.651	S	S	.	*	H	α-helix	trans	-68.9	-40.6	175	170.2	0	0	0	0	112	F111 L112	F111-V115 HydrophobicContact CD1-CG2 4.33Å; F111-V115 HydrophobicContact CE1-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.17Å; F111-V115 WeakPolarHBondContact O-CB 3.48Å; F111-V115 WeakPolarHBondContact O-CG2 3.44Å; F111-V115 PolarHBondContact O-N 2.82Å; L112-V115 PolarHBondContact O-N 3.01Å
116	L	39.3	Very low	36.3	Very low	102 Å²	102	143.3 Å²	143.3	53%	0.534	65%	0.653	S	S	.	*	H	α-helix	trans	-79.5	-33.7	179.8	-67.6	169.9	0	0	0	113.1	L112 R119	L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.12Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.38Å; L116-R119 PolarHBondContact O-N 3.38Å
117	K	35.6	Very low	36.3	Very low	142 Å²	142	139.9 Å²	139.9	62%	0.617	66%	0.655	S	S	*	*	H	α-helix	trans	-68.9	-38.9	175.2	-168.2	169.4	-175.7	177.7	0	111.4	R113 R119 R120	R113-K117 WeakPolarHBondContact O-CB 3.48Å; R113-K117 PolarHBondContact O-N 3.38Å; K117-R119 PolarHBondContact O-N 3.06Å; K117-R120 PolarHBondContact O-N 3.47Å
118	N	38.4	Very low	35.8	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-1.9	171.3	-73.7	8.1	0	0	0	114.5	R114	R114-N118 VanDerWaalsContact O-CB 3.32Å; R114-N118 WeakPolarHBondContact O-CB 3.34Å; R114-N118 PolarHBondContact O-N 3.49Å; R114-N118 PolarHBondContact O-OD1 2.97Å
119	R	35.2	Very low	35.5	Very low	224 Å²	224	143.1 Å²	143.1	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	3.7	172.2	-81.2	-168.8	170.1	-160.5	-1.9	114.9	L116 K117	L116-R119 PolarHBondContact O-N 3.38Å; K117-R119 PolarHBondContact O-N 3.06Å
120	R	32.6	Very low	35	Very low	203 Å²	203	146.1 Å²	146.1	77%	0.766	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-23.8	178.1	-80	-177.1	165.8	139.2	-2.1	115	K117 R122	K117-R120 PolarHBondContact O-N 3.47Å; R120-R122 PolarHBondContact O-N 2.73Å
121	D	31.5	Very low	34.3	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	71%	0.708	S	S	*	*	S	Bend	trans	-95.1	59.5	-175.6	-64.8	-46	0	0	0	113.7
122	R	31.9	Very low	33.6	Very low	249 Å²	249	146.4 Å²	146.4	94%	0.94	71%	0.712	S	S	*	*			trans	-161.5	46.8	166.5	-119.2	171.8	-139.2	-126.9	3	116	R120	R120-R122 PolarHBondContact O-N 2.73Å
123	I	29.3	Very low	33.2	Very low	159 Å²	159	146.7 Å²	146.7	82%	0.815	72%	0.721	S	S	*	*			trans	-123.8	109.8	168	-58.2	176.4	0	0	0	109.3
124	R	27.9	Very low	32.7	Very low	230 Å²	230	146.7 Å²	146.7	87%	0.868	73%	0.728	S	S	*	*			trans	-174.8	125.5	161.8	-110.7	165.3	-169	-163.5	0.8	111.8
125	T	29	Very low	32.2	Very low	126 Å²	126	147.3 Å²	147.3	77%	0.773	74%	0.738	S	S	*	*			trans	48.5	132.5	137.7	59	0	0	0	0	119.5
126	S	28.7	Very low	31.9	Very low	110 Å²	110	149.2 Å²	149.2	77%	0.769	75%	0.752	S	S	*	*			cis	-154	163	24.5	-59.3	0	0	0	0	112.4
127	P	37.4	Very low	31.3	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	77%	0.767	S	S	*	*			trans	-91.7	172	171.6	38.7	-36.3	0	0	0	113.1
128	I	29.1	Very low	30.9	Very low	155 Å²	155	153.7 Å²	153.7	80%	0.795	78%	0.777	S	S	*	*			trans	-174.1	130.8	139.9	-101.2	156.1	0	0	0	112.3
129	L	29.2	Very low	30.5	Very low	148 Å²	148	156.5 Å²	156.5	78%	0.775	79%	0.786	S	S	*	*			trans	20.7	151.4	141.6	-43.9	176.3	0	0	0	120.9
130	M	26.6	Very low	30.1	Very low	160 Å²	160	149.3 Å²	149.3	79%	0.788	78%	0.775	S	S	*	*			cis	-174.2	174.4	-7.1	-107.3	-97.1	88.5	0	0	108.7
131	S	29.5	Very low	29.9	Very low	94 Å²	94	146.2 Å²	146.2	66%	0.657	77%	0.773	S	S	*	*			trans	69.1	115.4	155.7	-107.3	0	0	0	0	118.4
132	S	29.8	Very low	29.6	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	78%	0.781	S	S	*	*				82.3	136.6	77.3	78.2	0	0	0	0	113.5
133	S	30.1	Very low	29.7	Very low	95 Å²	95	147.3 Å²	147.3	66%	0.664	78%	0.78	S	S	*	*			cis	-173.4	-172	-2	47.5	0	0	0	0	110.5
134	Q	32.3	Very low	29.5	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	78%	0.776	S	S	*	*			trans	84.2	88.3	160.7	-60.8	174.5	31.2	0	0	119.7
135	H	31.7	Very low	29.8	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.856	78%	0.777	S	S	*	*				65	157.8	110.3	-75.1	-58.5	0	0	0	122.2
136	P	35.6	Very low	29.7	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	78%	0.779	S	S	*	*			trans	-122.6	173.6	-141.3	43.6	-32.7	0	0	0	115.6
137	C	26.3	Very low	29.6	Very low	124 Å²	124	141.9 Å²	141.9	84%	0.838	78%	0.777	S	S	*	*			trans	-146.5	162.3	157.4	-159.4	0	0	0	0	112.4
138	Y	26.8	Very low	29.4	Very low	214 Å²	214	143.9 Å²	143.9	84%	0.839	78%	0.781	S	S	*	*			trans	-82.5	-178.8	-168.4	-73	-103	0	0	0	114.7
139	Q	29.1	Very low	29.4	Very low	193 Å²	193	141.1 Å²	141.1	90%	0.902	78%	0.775	S	S	*	*			trans	96.1	144.4	165.2	-57.6	-173.4	8.9	0	0	116.5
140	A	28.5	Very low	29.3	Very low	74 Å²	74	144 Å²	144	61%	0.612	78%	0.776	S	S	*	*			cis	-166.4	162.2	-21.7	0	0	0	0	0	111.9
141	N	28	Very low	29.6	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	78%	0.78	S	S	*	*			trans	60.5	118.9	148.9	-76.1	-31.8	0	0	0	122.3
142	R	25.5	Very low	29.6	Very low	220 Å²	220	154.5 Å²	154.5	83%	0.83	79%	0.792	S	S	*	*				45.8	119.9	127	-63.4	-178.2	171.2	-158.7	-2.1	119.7
143	L	32.2	Very low	29.6	Very low	178 Å²	178	154.4 Å²	154.4	93%	0.932	79%	0.792	S	S	*	*			trans	-131	150.7	132.9	-89.5	176.8	0	0	0	111
144	T	27	Very low	29.4	Very low	117 Å²	117	158 Å²	158	72%	0.718	80%	0.802	S	S	*	*			trans	-136.6	132.2	-177.9	49.9	0	0	0	0	109.8
145	L	32.4	Very low	29.4	Very low	173 Å²	173	154.5 Å²	154.5	91%	0.906	80%	0.802	S	S	*	*			trans	-163.4	123.3	159.7	-126.2	67.9	0	0	0	105.1
146	C	27.1	Very low	29.6	Very low	118 Å²	118	150.9 Å²	150.9	80%	0.797	80%	0.797	S	S	*	*			cis	82.1	128.3	42	-157.4	0	0	0	0	113.6
147	S	28	Very low	29.7	Very low	104 Å²	104	153.4 Å²	153.4	73%	0.727	80%	0.804	S	S	*	*			trans	-86.5	146.3	174.5	52	0	0	0	0	111.8
148	D	32	Very low	30.2	Very low	156 Å²	156	152.8 Å²	152.8	83%	0.834	80%	0.799	S	S	*	*				-168.4	-168.6	124.2	-144.3	-30.6	0	0	0	111.8
149	S	29.5	Very low	30.4	Very low	97 Å²	97	148.1 Å²	148.1	68%	0.678	80%	0.797	S	S	*	*			trans	-105.5	-177.1	-163.1	-44.1	0	0	0	0	113.2
150	R	28.3	Very low	30.6	Very low	210 Å²	210	144.3 Å²	144.3	79%	0.792	79%	0.792	S	S	*	*			trans	87	84.7	147	-159.5	-175.8	-58.4	-127.2	-0.9	120
151	R	31.3	Very low	30.9	Very low	233 Å²	233	143.9 Å²	143.9	88%	0.879	80%	0.795	S	S	*	*				17	111.4	128.3	-179.8	-155.6	-176.5	-158.9	3.5	117.8
152	W	29.9	Very low	31.1	Very low	240 Å²	240	147.1 Å²	147.1	91%	0.909	80%	0.798	S	S	*	*			trans	-145.8	177.5	153	-84.7	92.2	0	0	0	110.7
153	S	29.4	Very low	31.6	Very low	98 Å²	98	142.6 Å²	142.6	69%	0.685	79%	0.791	S	S	*	*			trans	-128.2	154.2	-152	-54.6	0	0	0	0	117
154	L	27.6	Very low	31.6	Very low	169 Å²	169	139.9 Å²	139.9	89%	0.885	78%	0.781	S	S	*	*			trans	42.8	120.8	145.8	-78	166.5	0	0	0	123
155	A	31.1	Very low	32	Very low	92 Å²	92	139.6 Å²	139.6	76%	0.76	78%	0.782	S	S	*	*				81.2	111.5	124.2	0	0	0	0	0	123.2
156	S	36.4	Very low	31.7	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	78%	0.778	S	S	*	*			trans	-162.8	108.6	135.1	46.9	0	0	0	0	108.2
157	L	36.9	Very low	31.8	Very low	166 Å²	166	139.2 Å²	139.2	87%	0.869	78%	0.775	S	S	*	*				71.7	153.3	88.6	-74	177.2	0	0	0	114.6
158	P	37.6	Very low	31.8	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	78%	0.775	S	S	*	*			cis	-133.4	172.5	4.3	42.2	-27.1	0	0	0	116.6
159	S	31.5	Very low	31.4	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	77%	0.772	S	S	*	*			trans	65.7	139.1	148.2	-150.1	0	0	0	0	119.3
160	S	33.4	Very low	31.3	Very low	112 Å²	112	142.7 Å²	142.7	78%	0.783	78%	0.782	S	S	*	*			cis	-168.9	163.7	-13.5	171.8	0	0	0	0	107.8
161	G	33	Very low	31.2	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	78%	0.776	S	S	*	*			trans	127.3	72.3	161	0	0	0	0	0	118.5
162	Y	33.9	Very low	31.1	Very low	205 Å²	205	130.6 Å²	130.6	80%	0.804	77%	0.765	S	S	*	*			trans	6.4	141.3	151.2	-72	-90.8	0	0	0	123.4
163	D	34.5	Very low	31.2	Very low	126 Å²	126	129.6 Å²	129.6	67%	0.674	76%	0.761	S	S	*	*			trans	69.4	92.1	138	-55.4	-10.1	0	0	0	123.2
164	T	32.5	Very low	31.2	Very low	120 Å²	120	135.2 Å²	135.2	74%	0.736	77%	0.769	S	S	*	*				25.8	151.6	108	65.1	0	0	0	0	121.6
165	P	36.9	Very low	31.4	Very low	112 Å²	112	132 Å²	132	73%	0.727	76%	0.761	S	S	*	*				-139.8	-166.6	-55.1	33.4	-10.9	0	0	0	113
166	E	26.1	Very low	31.4	Very low	176 Å²	176	131.6 Å²	131.6	82%	0.822	75%	0.752	S	S	*	*			trans	82.7	131.8	158.1	-49.4	-142.1	135.4	0	0	122.6
167	S	27.9	Very low	31.1	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	75%	0.754	S	S	*	*			trans	87.3	142.7	146	83.7	0	0	0	0	121.4
168	S	27.3	Very low	31	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	75%	0.749	S	S	*	*			trans	69.9	114.1	164.6	74.6	0	0	0	0	120
169	T	25	Very low	30.9	Very low	125 Å²	125	138 Å²	138	77%	0.767	75%	0.753	S	S	*	*			trans	33.8	114.6	136.5	55.9	0	0	0	0	120.5
170	F	26.9	Very low	31	Very low	201 Å²	201	139.4 Å²	139.4	88%	0.882	75%	0.751	S	S	*	*				-158.6	161.2	111.8	-132.1	-108.1	0	0	0	113.9
171	S	26	Very low	31	Very low	96 Å²	96	139 Å²	139	67%	0.671	74%	0.739	S	S	*	*			trans	-60.3	156.2	175.9	-45.2	0	0	0	0	112.1
172	S	29.7	Very low	31.1	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	73%	0.725	S	S	*	*			cis	-179.3	177.6	45.3	54.9	0	0	0	0	113.1
173	R	31	Very low	31.3	Very low	218 Å²	218	133.2 Å²	133.2	82%	0.823	71%	0.711	S	S	*	*			trans	85.3	121.3	157.4	-64.1	174.3	-163.7	-150.1	1.4	119.7
174	Y	30.6	Very low	31.5	Very low	217 Å²	217	131.1 Å²	131.1	85%	0.851	70%	0.703	S	S	*	*			trans	49.3	113.1	143.2	-71.2	-93.9	0	0	0	118.4
175	S	30.4	Very low	31.6	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	69%	0.686	S	S	*	*			cis	58.5	126.7	38.2	-141.5	0	0	0	0	113.3
176	S	32.5	Very low	31.5	Very low	82 Å²	82	131 Å²	131	57%	0.573	69%	0.687	S	S	*	*			cis	177.4	156.5	-12.7	42.4	0	0	0	0	108.7
177	Q	30.6	Very low	31.9	Very low	172 Å²	172	129.9 Å²	129.9	80%	0.804	69%	0.686	S	S	*	*			trans	80.5	31.3	142.4	-138.7	146.5	-20.4	0	0	122.2
178	E	34	Very low	32	Very low	162 Å²	162	133.2 Å²	133.2	76%	0.757	68%	0.682	S	S	*	*			trans	-113.5	-39.3	174	-66.7	-173.1	140.1	0	0	116.1	L180 I181 A182	E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.84Å; E178-L180 VanDerWaalsContact O-N 3.1Å; E178-I181 PolarHBondContact O-N 3.33Å; E178-A182 PolarHBondContact O-N 2.89Å
179	K	34.5	Very low	32.2	Very low	187 Å²	187	135 Å²	135	81%	0.813	68%	0.682	S	S	*	*	H	α-helix	trans	-69	-12.8	-164.8	-75.1	-169.7	172.2	-174.2	0	117.7
180	L	33.5	Very low	32.4	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	68%	0.678	S	S	*	*	H	α-helix	trans	-91.5	-20.1	171.5	-88	168.6	0	0	0	113.6	E178 V184	E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.84Å; E178-L180 VanDerWaalsContact O-N 3.1Å; L180-V184 WeakPolarHBondContact O-CG2 3.48Å
181	I	35.4	Very low	32.4	Very low	104 Å²	104	130.8 Å²	130.8	53%	0.533	68%	0.68	S	S	.	*	H	α-helix	trans	-83.4	-33.9	175.2	-61.4	178.1	0	0	0	109.9	E178 V184 N185	E178-I181 PolarHBondContact O-N 3.33Å; I181-V184 PolarHBondContact O-N 3.19Å; I181-N185 WeakPolarHBondContact O-CB 3.13Å; I181-N185 PolarHBondContact O-N 2.87Å; I181-N185 VanDerWaalsContact O-N 3.08Å
182	A	34.8	Very low	32.5	Very low	48 Å²	48	131.9 Å²	131.9	40%	0.397	69%	0.687	S	S	.	*	H	α-helix	trans	-54.5	-53.5	172.8	0	0	0	0	0	112.4	E178 V184 N185 E186	E178-A182 PolarHBondContact O-N 2.89Å; A182-V184 VanDerWaalsContact C-N 3.3Å; A182-V184 PolarHBondContact O-N 3.15Å; A182-N185 CarbonylContact O-C 3.49Å; A182-N185 PolarHBondContact O-N 3.39Å; A182-E186 PolarHBondContact O-N 3.41Å
183	I	38.2	Very low	32.3	Very low	100 Å²	100	131.1 Å²	131.1	51%	0.513	69%	0.694	S	S	.	*	H	α-helix	trans	-61.8	-36.9	-178	-61.5	170.3	0	0	0	111.9	N185 L187	I183-N185 VanDerWaalsContact C-N 3.27Å; I183-N185 PolarHBondContact O-N 3.1Å; I183-L187 HydrophobicContact CG2-CD1 4.3Å; I183-L187 WeakPolarHBondContact O-CG 3.38Å; I183-L187 PolarHBondContact O-N 3.43Å
184	V	37.5	Very low	32.3	Very low	83 Å²	83	125.7 Å²	125.7	50%	0.503	69%	0.69	S	S	.	*	H	α-helix	trans	-75	-15.5	177.8	174.8	0	0	0	0	112.7	L180 I181 A182	L180-V184 WeakPolarHBondContact O-CG2 3.48Å; I181-V184 PolarHBondContact O-N 3.19Å; A182-V184 VanDerWaalsContact C-N 3.3Å; A182-V184 PolarHBondContact O-N 3.15Å
185	N	34	Very low	32.6	Very low	71 Å²	71	123.1 Å²	123.1	38%	0.38	69%	0.69	S	S	.	*	H	α-helix	trans	-99.5	-32.4	175.1	-74.2	-11.9	0	0	0	113.1	I181 A182 I183 L187 R188 I189	I181-N185 WeakPolarHBondContact O-CB 3.13Å; I181-N185 PolarHBondContact O-N 2.87Å; I181-N185 VanDerWaalsContact O-N 3.08Å; A182-N185 CarbonylContact O-C 3.49Å; A182-N185 PolarHBondContact O-N 3.39Å; I183-N185 VanDerWaalsContact C-N 3.27Å; I183-N185 PolarHBondContact O-N 3.1Å; N185-L187 VanDerWaalsContact C-N 3.34Å; N185-R188 WeakPolarHBondContact O-CA 3.45Å; N185-R188 WeakPolarHBondContact O-CB 3.48Å; N185-R188 PolarHBondContact O-N 2.95Å; N185-I189 WeakPolarHBondContact O-CD1 3.2Å; N185-I189 WeakPolarHBondContact O-CG1 3.31Å
186	E	36.8	Very low	32.7	Very low	157 Å²	157	127.2 Å²	127.2	73%	0.734	70%	0.698	S	S	*	*	H	α-helix	trans	-66.3	-37.4	173.1	-71	-163.7	154.1	0	0	111.6	A182 R188	A182-E186 PolarHBondContact O-N 3.41Å; E186-R188 PolarHBondContact O-N 3.14Å
187	L	33.8	Very low	32.8	Very low	153 Å²	153	129.1 Å²	129.1	80%	0.801	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	12	169.1	-69.4	171.1	0	0	0	114.1	I183 N185	I183-L187 HydrophobicContact CG2-CD1 4.3Å; I183-L187 WeakPolarHBondContact O-CG 3.38Å; I183-L187 PolarHBondContact O-N 3.43Å; N185-L187 VanDerWaalsContact C-N 3.34Å
188	R	29.8	Very low	32.8	Very low	178 Å²	178	124.8 Å²	124.8	67%	0.672	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	0	-171.9	-135.1	178.3	-161.1	154.2	5.7	114.6	N185 E186	N185-R188 WeakPolarHBondContact O-CA 3.45Å; N185-R188 WeakPolarHBondContact O-CB 3.48Å; N185-R188 PolarHBondContact O-N 2.95Å; E186-R188 PolarHBondContact O-N 3.14Å
189	I	32.4	Very low	32.6	Very low	140 Å²	140	122.5 Å²	122.5	72%	0.718	72%	0.716	S	S	*	*	S	Bend	trans	-110.6	-4.3	-172.9	-69.4	166.4	0	0	0	111.9	N185	N185-I189 WeakPolarHBondContact O-CD1 3.2Å; N185-I189 WeakPolarHBondContact O-CG1 3.31Å
190	G	28	Very low	32.3	Very low	66 Å²	66	122.5 Å²	122.5	68%	0.68	72%	0.716	S	S	*	*	S	Bend	trans	-126	56.4	-171.3	0	0	0	0	0	116
191	N	27.7	Very low	32.1	Very low	172 Å²	172	119.2 Å²	119.2	92%	0.92	70%	0.704	S	S	*	*	S	Bend	trans	-162.3	70.5	153.3	-128.5	28.6	0	0	0	113.4
192	S	26.9	Very low	31.7	Very low	119 Å²	119	120.4 Å²	120.4	83%	0.832	71%	0.711	S	S	*	*			trans	-155.4	109.4	171.3	58.6	0	0	0	0	111.1
193	G	27.1	Very low	31.4	Very low	78 Å²	78	125.7 Å²	125.7	80%	0.804	73%	0.728	S	S	*	*			trans	156.5	86.4	171.3	0	0	0	0	0	116.6
194	S	30.7	Very low	31	Very low	104 Å²	104	127 Å²	127	73%	0.727	73%	0.731	S	S	*	*				179	103.7	124.8	59.1	0	0	0	0	111.7
195	N	36.3	Very low	30.5	Very low	162 Å²	162	130 Å²	130	87%	0.866	74%	0.74	S	S	*	*				176.3	132.1	114.7	-84	-11.3	0	0	0	110.3
196	E	31.6	Very low	30.3	Very low	188 Å²	188	133.2 Å²	133.2	88%	0.879	75%	0.752	S	S	*	*			trans	-102	153.2	-179	-55.4	175.9	121.1	0	0	110.6
197	S	34.5	Very low	29.9	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	75%	0.75	S	S	*	*				171.7	115.8	121	40.6	0	0	0	0	114.1
198	G	30.8	Very low	29.6	Very low	82 Å²	82	132.1 Å²	132.1	85%	0.845	74%	0.743	S	S	*	*			trans	71.1	162.3	158.2	0	0	0	0	0	118.5
199	S	31.1	Very low	29.6	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	75%	0.747	S	S	*	*			cis	-161.1	113.8	-15.6	-178.2	0	0	0	0	112.7
200	F	26.8	Very low	29.5	Very low	187 Å²	187	129.9 Å²	129.9	82%	0.82	75%	0.748	S	S	*	*			trans	58.4	104.9	133.4	-141.6	-116.1	0	0	0	121.6
201	C	29.2	Very low	29.5	Very low	76 Å²	76	137 Å²	137	51%	0.514	76%	0.755	S	S	.	*				107	127.1	122.3	-84	0	0	0	0	125
202	D	28	Very low	29.8	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	75%	0.751	S	S	*	*				73.2	100.9	125.7	-56.3	-8.9	0	0	0	124.3
203	E	28.4	Very low	29.8	Very low	159 Å²	159	137.8 Å²	137.8	74%	0.743	74%	0.739	S	S	*	*				72.5	157.4	104.1	-138	175.5	-158.6	0	0	121.7
204	H	29.3	Very low	29.9	Very low	127 Å²	127	140.8 Å²	140.8	59%	0.588	73%	0.732	S	S	*	*			trans	71.2	94.8	164	-75	-73.2	0	0	0	121.3
205	H	27.6	Very low	29.7	Very low	147 Å²	147	142.7 Å²	142.7	68%	0.681	73%	0.729	S	S	*	*				96.3	154.7	112.7	-82.8	17.2	0	0	0	122.9
206	H	29.1	Very low	29.3	Very low	138 Å²	138	142.5 Å²	142.5	64%	0.639	72%	0.722	S	S	*	*			trans	74.4	103	155.5	-68.5	-58.1	0	0	0	122.6
207	H	29.1	Very low	29.1	Very low	147 Å²	147	141.6 Å²	141.6	68%	0.681	72%	0.718	S	S	*	*				87.6	115.1	112.6	-73.4	-12.2	0	0	0	123.6
208	H	28.3	Very low	28.8	Very low	141 Å²	141	143.2 Å²	143.2	65%	0.653	71%	0.712	S	S	*	*				74.9	139.8	123.3	-89.5	-102.1	0	0	0	123.7
209	H	28.6	Very low	28.6	Very low	163 Å²	163	147.5 Å²	147.5	76%	0.755	71%	0.71	S	S	*	*			trans	69.8	147.9	155.8	-67.3	-58.3	0	0	0	118
210	S	31	Very low	28.6	Very low	108 Å²	108	151.5 Å²	151.5	76%	0.755	72%	0.715	S	S	*	*			cis	-147.3	177.2	-0.5	-138.6	0	0	0	0	114.2
211	R	26.6	Very low	28.6	Very low	215 Å²	215	146.2 Å²	146.2	81%	0.811	71%	0.713	S	S	*	*			trans	-83.8	162	178.7	-63.6	170.9	170.5	156.6	-6.2	112.8
212	H	33.8	Very low	28.6	Very low	180 Å²	180	151.3 Å²	151.3	83%	0.833	73%	0.729	S	S	*	*			trans	155.5	157.3	133.6	-85.3	-71	0	0	0	110
213	H	28.5	Very low	28.6	Very low	128 Å²	128	148 Å²	148	59%	0.593	73%	0.726	S	S	*	*			cis	-175.7	144.9	-43.8	-133.9	-78	0	0	0	107.4
214	H	28.2	Very low	28.6	Very low	140 Å²	140	146.8 Å²	146.8	65%	0.648	73%	0.731	S	S	*	*			trans	67.3	153.7	172.8	-52.6	-68.9	0	0	0	116.7
215	H	27.7	Very low	28.6	Very low	144 Å²	144	149.6 Å²	149.6	67%	0.667	74%	0.742	S	S	*	*			cis	-154.9	-173.1	-16.4	-116.2	-36.4	0	0	0	110.7
216	H	26.7	Very low	28.8	Very low	158 Å²	158	147.2 Å²	147.2	73%	0.731	74%	0.742	S	S	*	*			trans	-32.3	149.7	173	-57	-83.3	0	0	0	115.8
217	H	28.1	Very low	29.1	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.787	74%	0.741	S	S	*	*				-155.1	-177.7	52.5	-135.4	-36.7	0	0	0	115.8
218	H	27.7	Very low	29.5	Very low	155 Å²	155	140.1 Å²	140.1	72%	0.718	73%	0.728	S	S	*	*			trans	-60.8	171.3	-169.7	-83.6	-34.7	0	0	0	119.1
219	Q	26.8	Very low	30.2	Very low	173 Å²	173	138.1 Å²	138.1	81%	0.808	72%	0.721	S	S	*	*			trans	76.2	112.2	155.2	-76.5	165.4	24.6	0	0	118
220	H	30.6	Very low	30.8	Very low	198 Å²	198	135.3 Å²	135.3	92%	0.917	70%	0.704	S	S	*	*				-157	153.1	117	-101.5	-76	0	0	0	109
221	G	26.9	Very low	31.2	Very low	75 Å²	75	131.5 Å²	131.5	77%	0.773	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-94.3	141.7	-169.5	0	0	0	0	0	114.4
222	H	30	Very low	31.9	Very low	184 Å²	184	126.9 Å²	126.9	85%	0.852	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-90.6	135.3	163.6	-70.7	-66.3	0	0	0	110.3
223	G	27.3	Very low	31.8	Very low	59 Å²	59	120.4 Å²	120.4	61%	0.608	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.6	164.2	169.6	0	0	0	0	0	112.5	K225	G223-K225 PolarHBondContact O-N 2.93Å
224	P	28.6	Very low	32.1	Very low	133 Å²	133	120.5 Å²	120.5	86%	0.864	63%	0.626	S	S	*	*			trans	-66.4	106.6	-176.5	27.6	-34.1	0	0	0	111.2
225	K	29.7	Very low	32.2	Very low	186 Å²	186	118.6 Å²	118.6	81%	0.809	63%	0.628	S	S	*	*			trans	-62.7	151.6	159.5	-66.1	-175.7	177.4	-176.2	0	109.1	G223	G223-K225 PolarHBondContact O-N 2.93Å
226	S	31.2	Very low	32.3	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	64%	0.635	S	S	*	*			trans	-52	140.4	-174.4	40.1	0	0	0	0	113.5	G228	S226-G228 VanDerWaalsContact C-N 3.34Å; S226-G228 PolarHBondContact O-N 3.03Å
227	P	36.3	Very low	32.6	Very low	97 Å²	97	118.7 Å²	118.7	63%	0.63	64%	0.64	S	S	*	*	S	Bend	trans	-64.5	78.1	179.9	-23.9	32.9	0	0	0	116.4	Y335	P227-Y335 WeakPolarHBondContact CB-OH 3.4Å; P227-Y335 VanDerWaalsContact CD-OH 3.31Å; P227-Y335 WeakPolarHBondContact CD-OH 3.5Å; P227-Y335 PolarHBondContact O-OH 2.65Å
228	G	37	Very low	32.8	Very low	39 Å²	39	115.1 Å²	115.1	40%	0.402	63%	0.634	S	S	.	*			trans	65.3	90.4	149.3	0	0	0	0	0	117.9	S226	S226-G228 VanDerWaalsContact C-N 3.34Å; S226-G228 PolarHBondContact O-N 3.03Å
229	I	42.3	Very low	32.8	Very low	100 Å²	100	111 Å²	111	51%	0.513	63%	0.633	S	S	.	*			trans	-50.6	139.8	164.6	-64.1	167	0	0	0	110.4	W231	I229-W231 HydrophobicContact CB-CZ2 3.83Å; I229-W231 HydrophobicContact CD1-CH2 4.39Å; I229-W231 HydrophobicContact CD1-CZ2 4.11Å; I229-W231 HydrophobicContact CG2-CD2 4.14Å; I229-W231 HydrophobicContact CG2-CE3 4.48Å; I229-W231 HydrophobicContact CG2-CH2 4.23Å; I229-W231 HydrophobicContact CG2-CZ2 3.89Å; I229-W231 PolarHBondContact O-N 3.05Å; I229-W231 PolarHBondContact O-NE1 3.41Å
230	R	41.9	Very low	33.1	Very low	104 Å²	104	112.1 Å²	112.1	39%	0.392	64%	0.636	S	S	.	*			trans	-102.1	59.7	-166.7	-168.8	-177.2	-175.7	-159.6	11.5	113.1	R232 R375 E378 L418	R230-R232 PolarHBondContact O-N 2.99Å; R230-R375 PolarHBondContact O-NH1 3.35Å; R230-R375 VanDerWaalsContact O-NH1 3.17Å; R230-R375 PolarHBondContact O-NH2 3.41Å; R230-E378 VanDerWaalsContact C-OE1 3.24Å; R230-E378 WeakPolarHBondContact CA-OE1 3.4Å; R230-E378 VanDerWaalsContact CB-OE1 3.3Å; R230-E378 WeakPolarHBondContact CB-OE1 3.26Å; R230-E378 PolarHBondContact N-OE1 2.67Å; R230-L418 VanDerWaalsContact NE-CD2 3.28Å; R230-L418 VanDerWaalsContact NH2-CD2 3.3Å
231	W	39.4	Very low	33.1	Very low	27 Å²	27	108 Å²	108	10%	0.102	63%	0.63	C	S	.	*			trans	-28.5	113.6	179	-57.7	104.5	0	0	0	116.8	I229 F382 E386 F387	I229-W231 HydrophobicContact CB-CZ2 3.83Å; I229-W231 HydrophobicContact CD1-CH2 4.39Å; I229-W231 HydrophobicContact CD1-CZ2 4.11Å; I229-W231 HydrophobicContact CG2-CD2 4.14Å; I229-W231 HydrophobicContact CG2-CE3 4.48Å; I229-W231 HydrophobicContact CG2-CH2 4.23Å; I229-W231 HydrophobicContact CG2-CZ2 3.89Å; I229-W231 PolarHBondContact O-N 3.05Å; I229-W231 PolarHBondContact O-NE1 3.41Å; W231-F382 HydrophobicContact CB-CD2 4.25Å; W231-F382 HydrophobicContact CB-CE2 3.77Å; W231-F382 HydrophobicContact CD2-CD2 4.39Å; W231-F382 HydrophobicContact CD2-CE2 4.31Å; W231-F382 AromaticContact CE3-CD2 3.54Å; W231-F382 HydrophobicContact CE3-CD2 3.54Å; W231-F382 AromaticContact CE3-CE2 3.6Å; W231-F382 HydrophobicContact CE3-CE2 3.6Å; W231-F382 HydrophobicContact CG-CE2 4.42Å; W231-F382 HydrophobicContact CZ3-CD2 4.31Å; W231-E386 HydrophobicContact CH2-CB 4.31Å; W231-E386 WeakPolarHBondContact CH2-OE2 3.41Å; W231-E386 HydrophobicContact CZ3-CB 4.39Å; W231-F387 HydrophobicContact CB-CB 4.34Å; W231-F387 HydrophobicContact CB-CD2 3.31Å; W231-F387 HydrophobicContact CB-CE2 3.67Å; W231-F387 HydrophobicContact CB-CG 3.84Å; W231-F387 HydrophobicContact CB-CZ 4.44Å; W231-F387 HydrophobicContact CD2-CB 4.25Å; W231-F387 HydrophobicContact CD2-CD2 4.32Å; W231-F387 HydrophobicContact CE3-CB 4.01Å; W231-F387 HydrophobicContact CG-CB 4.35Å; W231-F387 AromaticContact CG-CD2 3.6Å; W231-F387 HydrophobicContact CG-CD2 3.6Å; W231-F387 HydrophobicContact CG-CE2 4.27Å; W231-F387 HydrophobicContact CG-CG 4.23Å
232	R	41	Very low	33.4	Very low	119 Å²	119	108.8 Å²	108.8	45%	0.449	63%	0.628	S	S	.	*			trans	-148.6	135.3	163.7	-72.9	-166.2	176	94.7	-8.5	113.6	R230 F382	R230-R232 PolarHBondContact O-N 2.99Å; R232-F382 VanDerWaalsContact N-CD2 3.31Å; R232-F382 WeakPolarHBondContact O-CD1 3.49Å; R232-F382 WeakPolarHBondContact O-CG 3.21Å
233	S	32.8	Very low	33.5	Very low	44 Å²	44	104.4 Å²	104.4	31%	0.308	62%	0.615	S	S	.	*			trans	-62.7	141.6	-173.5	68.9	0	0	0	0	118.5	M1	M1-S233 WeakPolarHBondContact CB-OG 3.33Å; M1-S233 VanDerWaalsContact CG-CB 3.42Å; M1-S233 WeakPolarHBondContact CG-OG 3.26Å
234	R	34	Very low	34.1	Very low	129 Å²	129	111 Å²	111	49%	0.487	63%	0.63	S	S	.	*			trans	-126.3	158.2	148.9	-69.1	-178.1	178.2	-102.6	0.8	110.2	C379	R234-C379 PolarHBondContact NE-SG 3.36Å
235	S	30.3	Very low	34.2	Very low	101 Å²	101	108.6 Å²	108.6	71%	0.706	62%	0.616	S	S	*	*			trans	-125.3	53.7	-168	62	0	0	0	0	113.2
236	F	30.1	Very low	34.7	Very low	183 Å²	183	102.3 Å²	102.3	80%	0.803	59%	0.591	S	S	*	*			trans	-148.7	93.8	-179.3	-70.6	-74	0	0	0	112.8
237	S	33.5	Very low	35.3	Very low	120 Å²	120	104.8 Å²	104.8	84%	0.839	59%	0.592	S	S	*	*			trans	64.9	158.7	168.1	-52.7	0	0	0	0	116.4
238	S	31.7	Very low	35.5	Very low	95 Å²	95	104.6 Å²	104.6	66%	0.664	58%	0.583	S	S	*	*			cis	-162.5	132.6	-32.9	46.5	0	0	0	0	107.3
239	G	28.3	Very low	35.7	Very low	68 Å²	68	110 Å²	110	70%	0.701	60%	0.598	S	S	*	*			trans	-76.4	142.2	-163	0	0	0	0	0	116.4
240	F	33	Very low	35.8	Very low	197 Å²	197	109.4 Å²	109.4	86%	0.864	60%	0.595	S	S	*	*			trans	-110.4	173.6	157.5	-83.4	-97.6	0	0	0	109.7
241	S	30	Very low	36.2	Very low	113 Å²	113	106.2 Å²	106.2	79%	0.79	59%	0.591	S	S	*	*			trans	-114	113.9	178.4	-176.3	0	0	0	0	108.7
242	A	32.5	Very low	36.7	Very low	90 Å²	90	111.3 Å²	111.3	74%	0.744	61%	0.61	S	S	*	*			trans	-78.4	133.1	-164.9	0	0	0	0	0	114.3	D246	A242-D246 WeakPolarHBondContact CA-OD2 3.26Å
243	T	32.7	Very low	37.4	Very low	93 Å²	93	108.5 Å²	108.5	57%	0.571	61%	0.608	S	S	*	*			trans	-109.1	162.9	156.2	29.4	0	0	0	0	110.3	S245 D246	T243-S245 PolarHBondContact O-N 2.7Å; T243-S245 VanDerWaalsContact O-N 3.08Å; T243-S245 PolarHBondContact OG1-OG 3.44Å; T243-D246 PolarHBondContact N-OD2 2.61Å; T243-D246 WeakPolarHBondContact O-CB 3.36Å; T243-D246 PolarHBondContact O-N 3.37Å; T243-D246 PolarHBondContact OG1-OD1 3.29Å; T243-D246 PolarHBondContact OG1-OD2 2.88Å
244	Q	39	Very low	38.7	Very low	197 Å²	197	106.7 Å²	106.7	92%	0.921	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-19.9	-173.3	-75	-179.3	-28.1	0	0	114.6	D246	Q244-D246 VanDerWaalsContact C-N 3.27Å; Q244-D246 PolarHBondContact O-N 2.66Å
245	S	31	Very low	40	Very low	83 Å²	83	101 Å²	101	58%	0.58	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-29.5	171.4	35.8	0	0	0	0	114.2	T243 H247	T243-S245 PolarHBondContact O-N 2.7Å; T243-S245 VanDerWaalsContact O-N 3.08Å; T243-S245 PolarHBondContact OG1-OG 3.44Å; S245-H247 VanDerWaalsContact C-N 3.35Å; S245-H247 PolarHBondContact O-N 3.21Å
246	D	39.8	Very low	41.7	Very low	53 Å²	53	99.4 Å²	99.4	28%	0.283	57%	0.565	S	S	.	*	H	α-helix	trans	-84.4	-16.4	-156.2	-46.4	-4.7	0	0	0	112.1	A242 T243 Q244 E248 E249 L250	A242-D246 WeakPolarHBondContact CA-OD2 3.26Å; T243-D246 PolarHBondContact N-OD2 2.61Å; T243-D246 WeakPolarHBondContact O-CB 3.36Å; T243-D246 PolarHBondContact O-N 3.37Å; T243-D246 PolarHBondContact OG1-OD1 3.29Å; T243-D246 PolarHBondContact OG1-OD2 2.88Å; Q244-D246 VanDerWaalsContact C-N 3.27Å; Q244-D246 PolarHBondContact O-N 2.66Å; D246-E248 VanDerWaalsContact C-N 3.32Å; D246-E248 PolarHBondContact O-N 3.49Å; D246-E249 PolarHBondContact O-N 3.2Å; D246-L250 WeakPolarHBondContact O-CB 3.39Å; D246-L250 PolarHBondContact O-N 3.1Å
247	H	44.2	Very low	43.4	Very low	148 Å²	148	92.5 Å²	92.5	69%	0.685	54%	0.538	S	S	*	.	H	α-helix	trans	-63	-36.3	178.1	-113.8	-77.7	0	0	0	112.6	S245 L250 A251	S245-H247 VanDerWaalsContact C-N 3.35Å; S245-H247 PolarHBondContact O-N 3.21Å; H247-L250 PolarHBondContact O-N 2.89Å; H247-A251 PolarHBondContact O-N 3.41Å
248	E	41.6	Very low	45.4	Very low	94 Å²	94	86.9 Å²	86.9	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-72.5	-33.3	-177.8	-130.2	-163.3	114.5	0	0	112.2	D246 R252	D246-E248 VanDerWaalsContact C-N 3.32Å; D246-E248 PolarHBondContact O-N 3.49Å; E248-R252 PolarHBondContact O-N 3.44Å; E248-R252 PolarHBondContact O-NH1 3.42Å; E248-R252 IonicContact OE1-CZ 2.64Å; E248-R252 IonicContact OE1-NH1 3.69Å; E248-R252 PolarHBondContact OE1-NH1 2.81Å; E248-R252 IonicContact OE1-NH2 2.76Å; E248-R252 PolarHBondContact OE1-NH2 2.87Å
249	E	39.7	Very low	47.4	Very low	151 Å²	151	86.8 Å²	86.8	71%	0.706	49%	0.486	S	S	*	.	H	α-helix	trans	-75.7	-38.9	172.3	-168.4	173	-151.1	0	0	110.6	D246 A251 R252 S253	D246-E249 PolarHBondContact O-N 3.2Å; E249-A251 PolarHBondContact O-N 3.21Å; E249-R252 PolarHBondContact O-N 2.91Å; E249-S253 WeakPolarHBondContact O-CB 3.35Å; E249-S253 PolarHBondContact O-N 3.41Å
250	L	45.5	Very low	49.4	Very low	89 Å²	89	88.2 Å²	88.2	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-38.7	177.3	-167.9	68.4	0	0	0	112.8	D246 H247 S254	D246-L250 WeakPolarHBondContact O-CB 3.39Å; D246-L250 PolarHBondContact O-N 3.1Å; H247-L250 PolarHBondContact O-N 2.89Å; L250-S254 VanDerWaalsContact O-CB 3.31Å; L250-S254 WeakPolarHBondContact O-CB 3.16Å; L250-S254 PolarHBondContact O-N 3.41Å; L250-S254 PolarHBondContact O-OG 2.91Å
251	A	49.9	Very low	51.4	Low	36 Å²	36	87.2 Å²	87.2	30%	0.298	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-51.6	176.5	0	0	0	0	0	112.1	H247 E249 S253 S254 S255	H247-A251 PolarHBondContact O-N 3.41Å; E249-A251 PolarHBondContact O-N 3.21Å; A251-S253 VanDerWaalsContact C-N 3.33Å; A251-S253 PolarHBondContact O-N 2.87Å; A251-S254 WeakPolarHBondContact O-CB 3.45Å; A251-S254 PolarHBondContact O-N 2.92Å; A251-S254 VanDerWaalsContact O-N 3.09Å; A251-S255 PolarHBondContact O-N 2.94Å; A251-S255 VanDerWaalsContact O-N 3.13Å
252	R	51.1	Low	53.8	Low	135 Å²	135	85 Å²	85	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-38.6	177.2	-66.5	-173.1	-174.5	96.9	-5.5	112.1	E248 E249 S254 S256	E248-R252 PolarHBondContact O-N 3.44Å; E248-R252 PolarHBondContact O-NH1 3.42Å; E248-R252 IonicContact OE1-CZ 2.64Å; E248-R252 IonicContact OE1-NH1 3.69Å; E248-R252 PolarHBondContact OE1-NH1 2.81Å; E248-R252 IonicContact OE1-NH2 2.76Å; E248-R252 PolarHBondContact OE1-NH2 2.87Å; E249-R252 PolarHBondContact O-N 2.91Å; R252-S254 VanDerWaalsContact C-N 3.34Å; R252-S256 WeakPolarHBondContact O-CB 3.47Å; R252-S256 PolarHBondContact O-N 3.35Å; R252-S256 VanDerWaalsContact O-N 3.11Å
253	S	55.5	Low	56.2	Low	59 Å²	59	84.2 Å²	84.2	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-60	-42.9	171.5	-174.7	0	0	0	0	111.3	E249 A251 S256 V257	E249-S253 WeakPolarHBondContact O-CB 3.35Å; E249-S253 PolarHBondContact O-N 3.41Å; A251-S253 VanDerWaalsContact C-N 3.33Å; A251-S253 PolarHBondContact O-N 2.87Å; S253-S256 PolarHBondContact O-N 2.97Å; S253-V257 WeakPolarHBondContact O-CB 3.44Å; S253-V257 WeakPolarHBondContact O-CG2 3.29Å; S253-V257 PolarHBondContact O-N 2.89Å
254	S	58.5	Low	58.6	Low	6 Å²	6	88.3 Å²	88.3	4%	0.042	45%	0.445	C	S	.	.	H	α-helix	trans	-65	-41	-179.7	-64	0	0	0	0	113.3	L250 A251 R252 V257 Y258	L250-S254 VanDerWaalsContact O-CB 3.31Å; L250-S254 WeakPolarHBondContact O-CB 3.16Å; L250-S254 PolarHBondContact O-N 3.41Å; L250-S254 PolarHBondContact O-OG 2.91Å; A251-S254 WeakPolarHBondContact O-CB 3.45Å; A251-S254 PolarHBondContact O-N 2.92Å; A251-S254 VanDerWaalsContact O-N 3.09Å; R252-S254 VanDerWaalsContact C-N 3.34Å; S254-V257 PolarHBondContact O-N 2.85Å; S254-Y258 WeakPolarHBondContact O-CB 3.2Å; S254-Y258 PolarHBondContact O-N 3.09Å
255	S	61.5	Low	60.6	Low	10 Å²	10	79.6 Å²	79.6	7%	0.07	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-47.4	171.7	176.6	0	0	0	0	111.8	A251 V257 Y258 K259 D327	A251-S255 PolarHBondContact O-N 2.94Å; A251-S255 VanDerWaalsContact O-N 3.13Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact O-N 3.36Å; S255-Y258 WeakPolarHBondContact O-CB 3.33Å; S255-Y258 PolarHBondContact O-N 2.94Å; S255-Y258 VanDerWaalsContact O-N 3.13Å; S255-K259 WeakPolarHBondContact O-CB 3.33Å; S255-K259 PolarHBondContact O-N 3.47Å; S255-D327 WeakPolarHBondContact CB-O 3.24Å; S255-D327 PolarHBondContact OG-O 2.82Å
256	S	65.8	Low	63.3	Low	67 Å²	67	76.7 Å²	76.7	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-39.4	176.8	-175.4	0	0	0	0	112.7	R252 S253 T260	R252-S256 WeakPolarHBondContact O-CB 3.47Å; R252-S256 PolarHBondContact O-N 3.35Å; R252-S256 VanDerWaalsContact O-N 3.11Å; S253-S256 PolarHBondContact O-N 2.97Å; S256-T260 WeakPolarHBondContact O-CB 3.17Å; S256-T260 WeakPolarHBondContact O-CG2 3.44Å; S256-T260 PolarHBondContact O-N 2.85Å; S256-T260 PolarHBondContact O-OG1 3.45Å
257	V	67.8	Low	65.6	Low	39 Å²	39	79.1 Å²	79.1	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-72	-35.4	176	173.3	0	0	0	0	111.7	S253 S254 S255 T260 R261 F380	S253-V257 WeakPolarHBondContact O-CB 3.44Å; S253-V257 WeakPolarHBondContact O-CG2 3.29Å; S253-V257 PolarHBondContact O-N 2.89Å; S254-V257 PolarHBondContact O-N 2.85Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact O-N 3.36Å; V257-T260 WeakPolarHBondContact CA-OG1 3.25Å; V257-T260 PolarHBondContact O-OG1 2.94Å; V257-R261 HydrophobicContact CG1-CG 4.23Å; V257-R261 VanDerWaalsContact O-CB 3.25Å; V257-R261 WeakPolarHBondContact O-CB 3.29Å; V257-R261 WeakPolarHBondContact O-CG 3.34Å; V257-R261 PolarHBondContact O-N 3.33Å; V257-F380 HydrophobicContact CG1-CD1 3.84Å; V257-F380 HydrophobicContact CG1-CE1 3.39Å; V257-F380 HydrophobicContact CG1-CE2 4.34Å; V257-F380 HydrophobicContact CG1-CG 4.48Å; V257-F380 HydrophobicContact CG1-CZ 3.66Å
258	Y	74.4	Confident	67.7	Low	1 Å²	1	77.3 Å²	77.3	0%	0.004	39%	0.385	C	S	.	.	H	α-helix	trans	-62.6	-51.1	171.2	173.7	-96.7	0	0	0	111.3	S254 S255 T260 R261 F262 K266 I329 L376 L377	S254-Y258 WeakPolarHBondContact O-CB 3.2Å; S254-Y258 PolarHBondContact O-N 3.09Å; S255-Y258 WeakPolarHBondContact O-CB 3.33Å; S255-Y258 PolarHBondContact O-N 2.94Å; S255-Y258 VanDerWaalsContact O-N 3.13Å; Y258-T260 PolarHBondContact O-N 2.81Å; Y258-R261 PolarHBondContact O-N 3.38Å; Y258-F262 HydrophobicContact CD2-CB 4.39Å; Y258-F262 HydrophobicContact CD2-CD2 4.28Å; Y258-F262 HydrophobicContact CE2-CB 4.29Å; Y258-F262 WeakPolarHBondContact O-CA 3.28Å; Y258-F262 PolarHBondContact O-N 3.32Å; Y258-K266 HydrophobicContact CE1-CB 3.76Å; Y258-K266 HydrophobicContact CE1-CG 4.15Å; Y258-K266 PolarHBondContact OH-N 2.66Å; Y258-I329 HydrophobicContact CD1-CD1 4.06Å; Y258-I329 HydrophobicContact CE1-CD1 3.74Å; Y258-L376 HydrophobicContact CD2-CB 4.09Å; Y258-L376 HydrophobicContact CE2-CB 3.89Å; Y258-L376 HydrophobicContact CE2-CD1 4.01Å; Y258-L377 HydrophobicContact CD2-CD2 4.37Å; Y258-L377 HydrophobicContact CD2-CG 4.18Å; Y258-L377 HydrophobicContact CG-CD2 4.07Å; Y258-L377 HydrophobicContact CG-CG 4.3Å
259	K	73.5	Confident	70.1	Confident	94 Å²	94	73 Å²	73	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-53.7	-48.8	176	-177.1	-171.7	-168.6	169.2	0	112.1	S255 P263 D327	S255-K259 WeakPolarHBondContact O-CB 3.33Å; S255-K259 PolarHBondContact O-N 3.47Å; K259-P263 WeakPolarHBondContact O-CD 3.4Å; K259-D327 VanDerWaalsContact CD-OD1 3.3Å; K259-D327 WeakPolarHBondContact CD-OD1 3.44Å; K259-D327 WeakPolarHBondContact CE-OD2 3.22Å; K259-D327 IonicContact NZ-OD1 2.69Å; K259-D327 IonicContact NZ-OD2 3.54Å; K259-D327 PolarHBondContact NZ-OD2 3.26Å
260	T	71.1	Confident	72.6	Confident	97 Å²	97	67.4 Å²	67.4	60%	0.595	34%	0.338	S	S	*	.	H	α-helix	trans	-76.2	-30.6	-175.8	52.2	0	0	0	0	113.9	S256 V257 Y258	S256-T260 WeakPolarHBondContact O-CB 3.17Å; S256-T260 WeakPolarHBondContact O-CG2 3.44Å; S256-T260 PolarHBondContact O-N 2.85Å; S256-T260 PolarHBondContact O-OG1 3.45Å; V257-T260 WeakPolarHBondContact CA-OG1 3.25Å; V257-T260 PolarHBondContact O-OG1 2.94Å; Y258-T260 PolarHBondContact O-N 2.81Å
261	R	73.5	Confident	74.8	Confident	176 Å²	176	67.5 Å²	67.5	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-95.5	-27.5	-178.5	-64.7	-170.2	177	-140	1.3	114.7	V257 Y258 P263	V257-R261 HydrophobicContact CG1-CG 4.23Å; V257-R261 VanDerWaalsContact O-CB 3.25Å; V257-R261 WeakPolarHBondContact O-CB 3.29Å; V257-R261 WeakPolarHBondContact O-CG 3.34Å; V257-R261 PolarHBondContact O-N 3.33Å; Y258-R261 PolarHBondContact O-N 3.38Å; R261-P263 VanDerWaalsContact C-CD 3.42Å
262	F	81.9	Confident	76.8	Confident	67 Å²	67	70 Å²	70	29%	0.294	34%	0.34	S	S	.	.			trans	-130.3	46.7	-176.7	-58.5	-63.6	0	0	0	113.8	Y258 K264 A265 K266 L376 F380	Y258-F262 HydrophobicContact CD2-CB 4.39Å; Y258-F262 HydrophobicContact CD2-CD2 4.28Å; Y258-F262 HydrophobicContact CE2-CB 4.29Å; Y258-F262 WeakPolarHBondContact O-CA 3.28Å; Y258-F262 PolarHBondContact O-N 3.32Å; F262-K264 PolarHBondContact O-N 3.05Å; F262-K264 VanDerWaalsContact O-N 3.14Å; F262-A265 HydrophobicContact CB-CB 3.92Å; F262-A265 WeakPolarHBondContact O-CA 3.5Å; F262-A265 WeakPolarHBondContact O-CB 3.32Å; F262-A265 PolarHBondContact O-N 3.1Å; F262-K266 PolarHBondContact O-N 2.82Å; F262-K266 VanDerWaalsContact O-N 3.15Å; F262-L376 HydrophobicContact CB-CD1 4.48Å; F262-L376 HydrophobicContact CD2-CD1 4.31Å; F262-L376 HydrophobicContact CD2-CD2 4.2Å; F262-L376 HydrophobicContact CE1-CD2 4.38Å; F262-L376 HydrophobicContact CE2-CD2 3.84Å; F262-L376 HydrophobicContact CG-CD1 4.25Å; F262-L376 HydrophobicContact CZ-CD2 3.95Å; F262-F380 HydrophobicContact CD2-CE2 4.07Å; F262-F380 AromaticContact CD2-CZ 4Å; F262-F380 HydrophobicContact CD2-CZ 4Å; F262-F380 AromaticContact CE2-CE2 3.9Å; F262-F380 HydrophobicContact CE2-CE2 3.9Å; F262-F380 AromaticContact CE2-CZ 3.56Å; F262-F380 HydrophobicContact CE2-CZ 3.56Å
263	P	82.1	Confident	78.7	Confident	73 Å²	73	63.5 Å²	63.5	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-33.5	-178.1	24.6	-34.3	0	0	0	112.8	K259 R261 A265 K266 Q267	K259-P263 WeakPolarHBondContact O-CD 3.4Å; R261-P263 VanDerWaalsContact C-CD 3.42Å; P263-A265 VanDerWaalsContact C-N 3.29Å; P263-A265 PolarHBondContact O-N 2.63Å; P263-K266 PolarHBondContact O-N 3.34Å; P263-Q267 WeakPolarHBondContact O-CB 3.42Å; P263-Q267 PolarHBondContact O-N 2.77Å
264	K	82.7	Confident	80.4	Confident	180 Å²	180	63.2 Å²	63.2	78%	0.783	31%	0.31	S	S	*	.	H	α-helix	trans	-67.5	-24	173.6	-66.3	-167.4	175.7	-167.4	0	114.1	F262 H268	F262-K264 PolarHBondContact O-N 3.05Å; F262-K264 VanDerWaalsContact O-N 3.14Å; K264-H268 WeakPolarHBondContact O-CB 3.31Å; K264-H268 PolarHBondContact O-N 3.2Å
265	A	82.5	Confident	81.9	Confident	14 Å²	14	66.1 Å²	66.1	12%	0.116	33%	0.327	C	S	.	.	H	α-helix	trans	-81.4	-37.7	174.9	0	0	0	0	0	111	F262 P263 M269 L376	F262-A265 HydrophobicContact CB-CB 3.92Å; F262-A265 WeakPolarHBondContact O-CA 3.5Å; F262-A265 WeakPolarHBondContact O-CB 3.32Å; F262-A265 PolarHBondContact O-N 3.1Å; P263-A265 VanDerWaalsContact C-N 3.29Å; P263-A265 PolarHBondContact O-N 2.63Å; A265-M269 PolarHBondContact O-N 3.02Å; A265-M269 VanDerWaalsContact O-N 3.09Å; A265-L376 HydrophobicContact CB-CD1 3.89Å
266	K	87.4	Confident	83.4	Confident	22 Å²	22	66 Å²	66	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-58.8	171.3	-170.4	-174.5	167.2	176.6	0	110.3	Y258 F262 P263 H268 M269 E270 S324 D327	Y258-K266 HydrophobicContact CE1-CB 3.76Å; Y258-K266 HydrophobicContact CE1-CG 4.15Å; Y258-K266 PolarHBondContact OH-N 2.66Å; F262-K266 PolarHBondContact O-N 2.82Å; F262-K266 VanDerWaalsContact O-N 3.15Å; P263-K266 PolarHBondContact O-N 3.34Å; K266-H268 VanDerWaalsContact C-N 3.31Å; K266-H268 PolarHBondContact O-N 2.89Å; K266-M269 WeakPolarHBondContact O-CA 3.47Å; K266-M269 WeakPolarHBondContact O-CB 3.28Å; K266-M269 PolarHBondContact O-N 3.39Å; K266-E270 WeakPolarHBondContact CE-OE1 3.36Å; K266-E270 IonicContact NZ-OE1 3.58Å; K266-E270 WeakPolarHBondContact O-CG 3.39Å; K266-E270 PolarHBondContact O-N 3.21Å; K266-S324 WeakPolarHBondContact CE-O 3.42Å; K266-S324 WeakPolarHBondContact CE-OG 3.38Å; K266-S324 PolarHBondContact NZ-O 2.72Å; K266-D327 IonicContact NZ-OD1 3.52Å; K266-D327 PolarHBondContact NZ-OD1 3.18Å
267	Q	87.4	Confident	84.5	Confident	103 Å²	103	64.2 Å²	64.2	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-53.9	-44.1	178.2	-178	-176.1	-8.9	0	0	112.5	P263 M269 E270 E271	P263-Q267 WeakPolarHBondContact O-CB 3.42Å; P263-Q267 PolarHBondContact O-N 2.77Å; Q267-M269 VanDerWaalsContact C-N 3.31Å; Q267-M269 PolarHBondContact O-N 2.87Å; Q267-E270 PolarHBondContact O-N 3.27Å; Q267-E271 HydrophobicContact CG-CG 4.3Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.46Å; Q267-E271 PolarHBondContact NE2-OE1 3.33Å; Q267-E271 WeakPolarHBondContact O-CB 3.45Å; Q267-E271 VanDerWaalsContact O-CG 3.3Å; Q267-E271 WeakPolarHBondContact O-CG 3.48Å; Q267-E271 PolarHBondContact O-N 3.13Å
268	H	89.3	Confident	85.3	Confident	111 Å²	111	69.6 Å²	69.6	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-27.8	179.2	-175	73.7	0	0	0	113.6	K264 K266 E271 K272	K264-H268 WeakPolarHBondContact O-CB 3.31Å; K264-H268 PolarHBondContact O-N 3.2Å; K266-H268 VanDerWaalsContact C-N 3.31Å; K266-H268 PolarHBondContact O-N 2.89Å; H268-E271 IonicContact CE1-OE2 2.94Å; H268-K272 WeakPolarHBondContact NE2-CE 3.34Å; H268-K272 WeakPolarHBondContact O-CB 3.48Å; H268-K272 WeakPolarHBondContact O-CG 3.31Å; H268-K272 PolarHBondContact O-N 3.19Å
269	M	91	Very high	85.7	Confident	2 Å²	2	75.7 Å²	75.7	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-70.2	-49.1	169.6	-176.3	-172.3	71	0	0	110	A265 K266 Q267 E271 K272 L273 S324 I329 F334 I369 P373	A265-M269 PolarHBondContact O-N 3.02Å; A265-M269 VanDerWaalsContact O-N 3.09Å; K266-M269 WeakPolarHBondContact O-CA 3.47Å; K266-M269 WeakPolarHBondContact O-CB 3.28Å; K266-M269 PolarHBondContact O-N 3.39Å; Q267-M269 VanDerWaalsContact C-N 3.31Å; Q267-M269 PolarHBondContact O-N 2.87Å; M269-E271 PolarHBondContact O-N 2.69Å; M269-K272 CarbonylContact O-C 3.49Å; M269-K272 PolarHBondContact O-N 3.36Å; M269-K272 VanDerWaalsContact O-N 3.1Å; M269-L273 HydrophobicContact CE-CD1 4.15Å; M269-L273 HydrophobicContact CG-CD1 3.8Å; M269-L273 HydrophobicContact CG-CG 4.19Å; M269-L273 WeakPolarHBondContact O-CG 3.37Å; M269-L273 PolarHBondContact O-N 3.33Å; M269-L273 HydrophobicContact SD-CD1 4.25Å; M269-S324 VanDerWaalsContact CE-CB 3.43Å; M269-S324 WeakPolarHBondContact CE-OG 3.43Å; M269-I329 HydrophobicContact CE-CD1 4.19Å; M269-F334 HydrophobicContact CE-CZ 4.44Å; M269-F334 HydrophobicContact SD-CE1 4.23Å; M269-F334 HydrophobicContact SD-CZ 3.79Å; M269-I369 HydrophobicContact CG-CG2 4.1Å; M269-P373 HydrophobicContact CB-CG 3.78Å; M269-P373 HydrophobicContact CG-CG 3.85Å; M269-P373 HydrophobicContact SD-CB 3.73Å; M269-P373 HydrophobicContact SD-CG 3.47Å; M269-P373 WeakPolarHBondContact SD-CG 3.38Å
270	E	92	Very high	86.1	Confident	34 Å²	34	71.9 Å²	71.9	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-40.4	-176.6	-66.9	170.1	145.2	0	0	112.4	K266 Q267 N274 L321 S324	K266-E270 WeakPolarHBondContact CE-OE1 3.36Å; K266-E270 IonicContact NZ-OE1 3.58Å; K266-E270 WeakPolarHBondContact O-CG 3.39Å; K266-E270 PolarHBondContact O-N 3.21Å; Q267-E270 PolarHBondContact O-N 3.27Å; E270-N274 VanDerWaalsContact O-CB 3.29Å; E270-N274 WeakPolarHBondContact O-CB 3.45Å; E270-N274 PolarHBondContact O-N 3.26Å; E270-N274 PolarHBondContact O-ND2 2.7Å; E270-L321 HydrophobicContact CB-CD1 3.93Å; E270-L321 HydrophobicContact CG-CD1 4.05Å; E270-S324 VanDerWaalsContact CD-OG 3.27Å; E270-S324 WeakPolarHBondContact CG-OG 3.32Å; E270-S324 WeakPolarHBondContact OE1-CB 3.22Å; E270-S324 PolarHBondContact OE1-OG 3.12Å
271	E	91.4	Very high	86.1	Confident	91 Å²	91	69.4 Å²	69.4	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-43.8	171.2	-74.6	170.5	176.5	0	0	111.4	Q267 H268 M269 T275	Q267-E271 HydrophobicContact CG-CG 4.3Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.46Å; Q267-E271 PolarHBondContact NE2-OE1 3.33Å; Q267-E271 WeakPolarHBondContact O-CB 3.45Å; Q267-E271 VanDerWaalsContact O-CG 3.3Å; Q267-E271 WeakPolarHBondContact O-CG 3.48Å; Q267-E271 PolarHBondContact O-N 3.13Å; H268-E271 IonicContact CE1-OE2 2.94Å; M269-E271 PolarHBondContact O-N 2.69Å; E271-T275 PolarHBondContact O-N 3.22Å; E271-T275 PolarHBondContact O-OG1 2.85Å
272	K	92	Very high	85.7	Confident	88 Å²	88	63.1 Å²	63.1	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-72.2	-37.4	178.9	-81	-166.4	166.8	-161.6	0	113.6	H268 M269 T275 F276 I369	H268-K272 WeakPolarHBondContact NE2-CE 3.34Å; H268-K272 WeakPolarHBondContact O-CB 3.48Å; H268-K272 WeakPolarHBondContact O-CG 3.31Å; H268-K272 PolarHBondContact O-N 3.19Å; M269-K272 CarbonylContact O-C 3.49Å; M269-K272 PolarHBondContact O-N 3.36Å; M269-K272 VanDerWaalsContact O-N 3.1Å; K272-T275 PolarHBondContact O-N 3.21Å; K272-F276 VanDerWaalsContact O-CB 3.32Å; K272-F276 WeakPolarHBondContact O-CB 3.35Å; K272-F276 PolarHBondContact O-N 3.36Å; K272-I369 HydrophobicContact CB-CD1 4.21Å; K272-I369 HydrophobicContact CB-CG1 4.06Å; K272-I369 HydrophobicContact CB-CG2 3.79Å; K272-I369 HydrophobicContact CD-CG1 4.26Å
273	L	92.1	Very high	84.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-45.8	172.7	-70.1	171.7	0	0	0	110.2	M269 T275 F276 I277 A317 C320 L321 L366 I369	M269-L273 HydrophobicContact CE-CD1 4.15Å; M269-L273 HydrophobicContact CG-CD1 3.8Å; M269-L273 HydrophobicContact CG-CG 4.19Å; M269-L273 WeakPolarHBondContact O-CG 3.37Å; M269-L273 PolarHBondContact O-N 3.33Å; M269-L273 HydrophobicContact SD-CD1 4.25Å; L273-T275 VanDerWaalsContact C-N 3.28Å; L273-T275 PolarHBondContact O-N 3.21Å; L273-F276 PolarHBondContact O-N 2.69Å; L273-I277 WeakPolarHBondContact O-CB 3.25Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.31Å; L273-I277 PolarHBondContact O-N 2.93Å; L273-A317 HydrophobicContact CD2-CB 4.24Å; L273-C320 HydrophobicContact CD1-CB 4.12Å; L273-L321 HydrophobicContact CB-CB 4.25Å; L273-L321 HydrophobicContact CD1-CB 4.17Å; L273-L366 HydrophobicContact CD2-CD1 3.75Å; L273-I369 HydrophobicContact CD2-CG2 3.9Å; L273-I369 HydrophobicContact CG-CG2 3.93Å
274	N	90.9	Very high	82.9	Confident	52 Å²	52	62.1 Å²	62.1	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-55.6	-40.8	173.1	-96.5	-91.3	0	0	0	113	E270 K278 L321	E270-N274 VanDerWaalsContact O-CB 3.29Å; E270-N274 WeakPolarHBondContact O-CB 3.45Å; E270-N274 PolarHBondContact O-N 3.26Å; E270-N274 PolarHBondContact O-ND2 2.7Å; N274-K278 VanDerWaalsContact O-CD 3.31Å; N274-K278 WeakPolarHBondContact O-CD 3.23Å; N274-K278 VanDerWaalsContact O-CG 3.23Å; N274-K278 WeakPolarHBondContact O-CG 3.37Å; N274-K278 PolarHBondContact O-N 3.12Å; N274-L321 WeakPolarHBondContact ND2-CD1 3.36Å; N274-L321 WeakPolarHBondContact ND2-CD2 3.49Å
275	T	90.6	Very high	81.2	Confident	68 Å²	68	57.8 Å²	57.8	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-48.9	177.2	-61.3	0	0	0	0	111.2	E271 K272 L273 I277 K278 E279	E271-T275 PolarHBondContact O-N 3.22Å; E271-T275 PolarHBondContact O-OG1 2.85Å; K272-T275 PolarHBondContact O-N 3.21Å; L273-T275 VanDerWaalsContact C-N 3.28Å; L273-T275 PolarHBondContact O-N 3.21Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 2.78Å; T275-K278 PolarHBondContact O-N 2.87Å; T275-K278 VanDerWaalsContact O-N 3.08Å; T275-E279 HydrophobicContact CG2-CG 4.37Å; T275-E279 VanDerWaalsContact CG2-OE1 3.28Å; T275-E279 WeakPolarHBondContact CG2-OE1 3.35Å; T275-E279 WeakPolarHBondContact O-CG 3.44Å; T275-E279 PolarHBondContact O-N 2.72Å
276	F	91.3	Very high	79.6	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-44.4	176.8	177	-91.7	0	0	0	112.3	K272 L273 K278 E279 N280 I313 A317 I362 K365 L366 I369	K272-F276 VanDerWaalsContact O-CB 3.32Å; K272-F276 WeakPolarHBondContact O-CB 3.35Å; K272-F276 PolarHBondContact O-N 3.36Å; L273-F276 PolarHBondContact O-N 2.69Å; F276-K278 PolarHBondContact O-N 3.45Å; F276-E279 PolarHBondContact O-N 3.45Å; F276-N280 WeakPolarHBondContact O-CB 3.25Å; F276-N280 PolarHBondContact O-N 2.97Å; F276-N280 VanDerWaalsContact O-N 3.08Å; F276-N280 PolarHBondContact O-ND2 3.42Å; F276-I313 HydrophobicContact CE1-CG2 4.48Å; F276-I313 HydrophobicContact CZ-CG2 4.06Å; F276-A317 HydrophobicContact CD1-CB 3.64Å; F276-A317 HydrophobicContact CE1-CB 3.67Å; F276-I362 HydrophobicContact CE2-CG2 3.9Å; F276-I362 WeakPolarHBondContact CE2-O 3.01Å; F276-I362 HydrophobicContact CZ-CG2 3.66Å; F276-K365 HydrophobicContact CD2-CB 4.38Å; F276-K365 HydrophobicContact CE2-CB 4.08Å; F276-L366 HydrophobicContact CD1-CD1 4.5Å; F276-L366 HydrophobicContact CE1-CB 4.37Å; F276-L366 HydrophobicContact CE1-CD1 4.31Å; F276-L366 HydrophobicContact CE2-CB 4.23Å; F276-L366 HydrophobicContact CZ-CB 3.91Å; F276-I369 HydrophobicContact CB-CD1 3.83Å; F276-I369 HydrophobicContact CD2-CD1 4.15Å; F276-I369 HydrophobicContact CG-CD1 4.13Å
277	I	89.2	Confident	77.9	Confident	30 Å²	30	61.5 Å²	61.5	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-42.4	176.3	-65.7	160	0	0	0	110.2	L273 T275 E279 N280 C281 V314 A317 L321	L273-I277 WeakPolarHBondContact O-CB 3.25Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.31Å; L273-I277 PolarHBondContact O-N 2.93Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 2.78Å; I277-E279 PolarHBondContact O-N 3.39Å; I277-N280 CarbonylContact O-C 3.54Å; I277-N280 PolarHBondContact O-N 3.09Å; I277-C281 WeakPolarHBondContact O-CA 3.28Å; I277-C281 WeakPolarHBondContact O-CB 3.35Å; I277-C281 PolarHBondContact O-N 2.83Å; I277-V314 HydrophobicContact CG2-CG1 4.41Å; I277-A317 HydrophobicContact CD1-CB 4.4Å; I277-A317 HydrophobicContact CG1-CB 3.99Å; I277-L321 HydrophobicContact CD1-CB 4.4Å; I277-L321 HydrophobicContact CD1-CD2 3.88Å
278	K	84.6	Confident	75.9	Confident	153 Å²	153	62.6 Å²	62.6	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-67.9	-32.5	177.4	-72.6	165.1	-168	165.2	0	113.8	N274 T275 F276	N274-K278 VanDerWaalsContact O-CD 3.31Å; N274-K278 WeakPolarHBondContact O-CD 3.23Å; N274-K278 VanDerWaalsContact O-CG 3.23Å; N274-K278 WeakPolarHBondContact O-CG 3.37Å; N274-K278 PolarHBondContact O-N 3.12Å; T275-K278 PolarHBondContact O-N 2.87Å; T275-K278 VanDerWaalsContact O-N 3.08Å; F276-K278 PolarHBondContact O-N 3.45Å
279	E	83.5	Confident	73.7	Confident	128 Å²	128	59.6 Å²	59.6	60%	0.598	32%	0.323	S	S	*	.	H	α-helix	trans	-74.8	-24.8	176.9	-72.7	171.2	177.6	0	0	113	T275 F276 I277	T275-E279 HydrophobicContact CG2-CG 4.37Å; T275-E279 VanDerWaalsContact CG2-OE1 3.28Å; T275-E279 WeakPolarHBondContact CG2-OE1 3.35Å; T275-E279 WeakPolarHBondContact O-CG 3.44Å; T275-E279 PolarHBondContact O-N 2.72Å; F276-E279 PolarHBondContact O-N 3.45Å; I277-E279 PolarHBondContact O-N 3.39Å
280	N	81.9	Confident	71.4	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.08	37%	0.365	C	S	.	.	H	α-helix	trans	-119.3	2.5	-174.3	-59.7	-94.2	0	0	0	113.5	F276 I277 H310 V314	F276-N280 WeakPolarHBondContact O-CB 3.25Å; F276-N280 PolarHBondContact O-N 2.97Å; F276-N280 VanDerWaalsContact O-N 3.08Å; F276-N280 PolarHBondContact O-ND2 3.42Å; I277-N280 CarbonylContact O-C 3.54Å; I277-N280 PolarHBondContact O-N 3.09Å; N280-H310 PolarHBondContact O-CE1 2.96Å; N280-V314 HydrophobicContact CB-CG2 3.72Å
281	C	72	Confident	69.2	Low	45 Å²	45	72.4 Å²	72.4	30%	0.304	39%	0.393	S	S	.	.			trans	-74	132.4	173.6	-166.5	0	0	0	0	110.5	I277 D283	I277-C281 WeakPolarHBondContact O-CA 3.28Å; I277-C281 WeakPolarHBondContact O-CB 3.35Å; I277-C281 PolarHBondContact O-N 2.83Å; C281-D283 VanDerWaalsContact SG-CG 3.6Å; C281-D283 PolarHBondContact SG-OD2 2.79Å
282	I	63.7	Low	66.9	Low	44 Å²	44	74.9 Å²	74.9	23%	0.226	40%	0.404	C	S	.	.			trans	-120.8	69.8	178.6	-53.7	162.9	0	0	0	108.2	L297 I301 H310	I282-L297 HydrophobicContact CD1-CD1 4.38Å; I282-L297 HydrophobicContact CD1-CD2 4.28Å; I282-L297 HydrophobicContact CD1-CG 4.07Å; I282-L297 HydrophobicContact CG1-CD2 3.9Å; I282-L297 HydrophobicContact CG1-CG 4.25Å; I282-I301 HydrophobicContact CD1-CD1 4.11Å; I282-I301 HydrophobicContact CD1-CG1 3.78Å; I282-I301 HydrophobicContact CG1-CD1 4.33Å; I282-I301 HydrophobicContact CG1-CG1 4.5Å; I282-I301 HydrophobicContact CG2-CD1 3.44Å; I282-I301 VanDerWaalsContact CG2-CD1 3.44Å; I282-I301 HydrophobicContact CG2-CG1 3.86Å; I282-H310 VanDerWaalsContact CD1-CE1 3.44Å; I282-H310 WeakPolarHBondContact CD1-CE1 3.5Å
283	D	55.3	Low	65	Low	92 Å²	92	72 Å²	72	49%	0.492	39%	0.394	S	S	.	.			trans	-69	142.5	167.6	-65.8	-56.1	0	0	0	109.8	C281 S285 S286	C281-D283 VanDerWaalsContact SG-CG 3.6Å; C281-D283 PolarHBondContact SG-OD2 2.79Å; D283-S285 PolarHBondContact O-N 3.09Å; D283-S285 VanDerWaalsContact O-N 3.12Å; D283-S286 VanDerWaalsContact O-CB 3.22Å; D283-S286 WeakPolarHBondContact O-CB 3.25Å; D283-S286 PolarHBondContact O-N 2.8Å
284	A	49.9	Very low	63.3	Low	26 Å²	26	76.3 Å²	76.3	22%	0.215	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	173.8	0	0	0	0	0	112.3	S286 M287 E512	A284-S286 VanDerWaalsContact C-N 3.28Å; A284-S286 PolarHBondContact O-N 3.24Å; A284-M287 PolarHBondContact O-N 3.41Å; A284-E512 HydrophobicContact CB-CG 3.74Å; A284-E512 VanDerWaalsContact CB-OE1 3.25Å; A284-E512 WeakPolarHBondContact CB-OE1 3.15Å; A284-E512 PolarHBondContact N-OE1 3.25Å
285	S	46.6	Very low	61.8	Low	90 Å²	90	82 Å²	82	63%	0.629	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.7	171.6	-63	0	0	0	0	113.4	D283 L288	D283-S285 PolarHBondContact O-N 3.09Å; D283-S285 VanDerWaalsContact O-N 3.12Å; S285-L288 PolarHBondContact O-N 3.46Å
286	S	50.5	Low	60.4	Low	49 Å²	49	84.5 Å²	84.5	34%	0.343	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-69.7	-37.8	175.1	-164.1	0	0	0	0	110.9	D283 A284 L288 A289	D283-S286 VanDerWaalsContact O-CB 3.22Å; D283-S286 WeakPolarHBondContact O-CB 3.25Å; D283-S286 PolarHBondContact O-N 2.8Å; A284-S286 VanDerWaalsContact C-N 3.28Å; A284-S286 PolarHBondContact O-N 3.24Å; S286-L288 PolarHBondContact O-N 3.42Å; S286-L288 VanDerWaalsContact O-N 3.08Å; S286-A289 PolarHBondContact O-N 3.27Å
287	M	50.8	Low	59.1	Low	64 Å²	64	85.4 Å²	85.4	32%	0.315	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-70.9	1.2	175.1	-53.4	-163.7	78.6	0	0	114.2	A284 L298 I301	A284-M287 PolarHBondContact O-N 3.41Å; M287-L298 HydrophobicContact CE-CD2 4.11Å; M287-I301 HydrophobicContact CE-CD1 4.42Å; M287-I301 HydrophobicContact CE-CG2 4.49Å; M287-I301 HydrophobicContact SD-CD1 4.48Å; M287-I301 HydrophobicContact SD-CG2 4.45Å
288	L	45.4	Very low	57.9	Low	126 Å²	126	86.3 Å²	86.3	66%	0.66	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-113.3	6.7	175.9	-62.7	176.2	0	0	0	112.9	S285 S286 I796	S285-L288 PolarHBondContact O-N 3.46Å; S286-L288 PolarHBondContact O-N 3.42Å; S286-L288 VanDerWaalsContact O-N 3.08Å; L288-I796 HydrophobicContact CD2-CD1 3.91Å; L288-I796 HydrophobicContact CD2-CG1 4.35Å
289	A	43.6	Very low	57	Low	48 Å²	48	81.2 Å²	81.2	40%	0.397	45%	0.447	S	S	.	.	S	Bend	trans	-113.6	143.8	175.5	0	0	0	0	0	110.4	S286 N291	S286-A289 PolarHBondContact O-N 3.27Å; A289-N291 PolarHBondContact O-N 3.06Å
290	D	42.6	Very low	56.3	Low	170 Å²	170	75.1 Å²	75.1	91%	0.909	42%	0.418	S	S	*	.	S	Bend	trans	-66.4	6.1	-176.3	-54.2	-69	0	0	0	115.1	E292	D290-E292 PolarHBondContact O-N 3.12Å
291	N	45.3	Very low	55.5	Low	136 Å²	136	74.5 Å²	74.5	73%	0.727	42%	0.415	S	S	*	.	S	Bend	trans	-85.2	80.7	172.4	-68.8	-35.1	0	0	0	109.6	A289 P293	A289-N291 PolarHBondContact O-N 3.06Å; N291-P293 VanDerWaalsContact O-CD 3.25Å; N291-P293 WeakPolarHBondContact O-CD 3.38Å
292	E	42.4	Very low	55.1	Low	143 Å²	143	74.4 Å²	74.4	67%	0.668	42%	0.415	S	S	*	.			trans	-41.1	110.9	171.6	-86.9	-85.8	114.5	0	0	111.4	D290	D290-E292 PolarHBondContact O-N 3.12Å
293	P	52.3	Low	55.5	Low	26 Å²	26	72.9 Å²	72.9	17%	0.169	41%	0.407	C	S	.	.			trans	-65.3	142.1	173.6	22.5	-27	0	0	0	109.3	N291 K295 L297 L298	N291-P293 VanDerWaalsContact O-CD 3.25Å; N291-P293 WeakPolarHBondContact O-CD 3.38Å; P293-K295 PolarHBondContact O-N 2.93Å; P293-L297 HydrophobicContact CB-CD2 4.12Å; P293-L298 HydrophobicContact CG-CD1 4.45Å; P293-L298 HydrophobicContact CG-CD2 3.96Å; P293-L298 HydrophobicContact CG-CG 3.99Å; P293-L298 WeakPolarHBondContact O-CD1 3.33Å
294	S	57.1	Low	56.1	Low	91 Å²	91	68.5 Å²	68.5	64%	0.636	38%	0.384	S	S	*	.			trans	-41.4	129.4	-176.5	-63.2	0	0	0	0	112	Q296 L297 L298	S294-Q296 CarbonylContact O-C 3.58Å; S294-Q296 PolarHBondContact O-N 2.9Å; S294-L297 WeakPolarHBondContact O-CA 3.46Å; S294-L297 VanDerWaalsContact O-CB 3.27Å; S294-L297 WeakPolarHBondContact O-CB 3.27Å; S294-L297 PolarHBondContact O-N 3.09Å; S294-L298 PolarHBondContact O-N 3.4Å
295	K	58.5	Low	57.3	Low	171 Å²	171	67.4 Å²	67.4	74%	0.743	38%	0.375	S	S	*	.	H	α-helix	trans	-51.6	-27	-170.2	-67.2	-177.4	177.2	179.8	0	115.2	P293 S299	P293-K295 PolarHBondContact O-N 2.93Å; K295-S299 PolarHBondContact O-N 3.05Å; K295-S299 VanDerWaalsContact O-N 3.11Å
296	Q	61.2	Low	58.8	Low	122 Å²	122	63.1 Å²	63.1	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-66.6	-41.2	172.7	-69.9	170.4	-23.9	0	0	112.8	S294 S299 I300 L358	S294-Q296 CarbonylContact O-C 3.58Å; S294-Q296 PolarHBondContact O-N 2.9Å; Q296-S299 PolarHBondContact O-N 3.2Å; Q296-S299 PolarHBondContact O-OG 2.8Å; Q296-I300 PolarHBondContact O-N 3Å; Q296-I300 VanDerWaalsContact O-N 3.07Å; Q296-L358 HydrophobicContact CB-CD2 3.88Å
297	L	65.6	Low	60	Low	24 Å²	24	62.8 Å²	62.8	13%	0.126	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-42.7	173.6	-152.7	79	0	0	0	110.9	I282 P293 S294 S299 I300 I301	I282-L297 HydrophobicContact CD1-CD1 4.38Å; I282-L297 HydrophobicContact CD1-CD2 4.28Å; I282-L297 HydrophobicContact CD1-CG 4.07Å; I282-L297 HydrophobicContact CG1-CD2 3.9Å; I282-L297 HydrophobicContact CG1-CG 4.25Å; P293-L297 HydrophobicContact CB-CD2 4.12Å; S294-L297 WeakPolarHBondContact O-CA 3.46Å; S294-L297 VanDerWaalsContact O-CB 3.27Å; S294-L297 WeakPolarHBondContact O-CB 3.27Å; S294-L297 PolarHBondContact O-N 3.09Å; L297-S299 VanDerWaalsContact C-N 3.26Å; L297-S299 PolarHBondContact O-N 2.86Å; L297-I300 WeakPolarHBondContact O-CB 3.3Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-I300 VanDerWaalsContact O-N 3.12Å; L297-I301 WeakPolarHBondContact O-CG1 3.33Å; L297-I301 PolarHBondContact O-N 2.98Å
298	L	63	Low	61.2	Low	49 Å²	49	59.9 Å²	59.9	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-56.8	-39	172.3	-76.9	167.3	0	0	0	112.4	M287 P293 S294 I301 S302	M287-L298 HydrophobicContact CE-CD2 4.11Å; P293-L298 HydrophobicContact CG-CD1 4.45Å; P293-L298 HydrophobicContact CG-CD2 3.96Å; P293-L298 HydrophobicContact CG-CG 3.99Å; P293-L298 WeakPolarHBondContact O-CD1 3.33Å; S294-L298 PolarHBondContact O-N 3.4Å; L298-I301 HydrophobicContact CD2-CD1 4.47Å; L298-I301 PolarHBondContact O-N 2.93Å; L298-S302 PolarHBondContact O-N 3.43Å
299	S	66	Low	63	Low	46 Å²	46	54 Å²	54	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-70.2	-34.9	175.8	66.1	0	0	0	0	113.5	K295 Q296 L297 I301 S302 F355	K295-S299 PolarHBondContact O-N 3.05Å; K295-S299 VanDerWaalsContact O-N 3.11Å; Q296-S299 PolarHBondContact O-N 3.2Å; Q296-S299 PolarHBondContact O-OG 2.8Å; L297-S299 VanDerWaalsContact C-N 3.26Å; L297-S299 PolarHBondContact O-N 2.86Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 3.13Å; S299-S302 PolarHBondContact O-N 3.14Å; S299-S302 PolarHBondContact O-OG 3.27Å; S299-F355 WeakPolarHBondContact O-CE1 3.18Å; S299-F355 WeakPolarHBondContact O-CZ 3.39Å
300	I	68.9	Low	65	Low	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-42.9	168.8	-69.6	174.9	0	0	0	110.4	Q296 L297 S302 D303 A306 R307 H310 F355 L358 L359 I362	Q296-I300 PolarHBondContact O-N 3Å; Q296-I300 VanDerWaalsContact O-N 3.07Å; L297-I300 WeakPolarHBondContact O-CB 3.3Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-I300 VanDerWaalsContact O-N 3.12Å; I300-S302 PolarHBondContact O-N 3.1Å; I300-D303 PolarHBondContact O-N 3.43Å; I300-D303 VanDerWaalsContact O-N 3.09Å; I300-D303 VanDerWaalsContact O-O 3.1Å; I300-A306 HydrophobicContact CG2-CB 4.17Å; I300-R307 HydrophobicContact CG2-CB 4.17Å; I300-H310 HydrophobicContact CG2-CB 3.94Å; I300-F355 HydrophobicContact CG1-CD1 4.13Å; I300-L358 HydrophobicContact CD1-CD2 3.6Å; I300-L358 HydrophobicContact CD1-CG 4.07Å; I300-L358 HydrophobicContact CG1-CD2 3.89Å; I300-L359 HydrophobicContact CD1-CD2 4.35Å; I300-I362 HydrophobicContact CD1-CD1 4.14Å
301	I	65.4	Low	66.8	Low	3 Å²	3	47 Å²	47	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-33.2	-174.4	-65.1	165.1	0	0	0	112.6	I282 M287 L297 L298 S299 D303 R518	I282-I301 HydrophobicContact CD1-CD1 4.11Å; I282-I301 HydrophobicContact CD1-CG1 3.78Å; I282-I301 HydrophobicContact CG1-CD1 4.33Å; I282-I301 HydrophobicContact CG1-CG1 4.5Å; I282-I301 HydrophobicContact CG2-CD1 3.44Å; I282-I301 VanDerWaalsContact CG2-CD1 3.44Å; I282-I301 HydrophobicContact CG2-CG1 3.86Å; M287-I301 HydrophobicContact CE-CD1 4.42Å; M287-I301 HydrophobicContact CE-CG2 4.49Å; M287-I301 HydrophobicContact SD-CD1 4.48Å; M287-I301 HydrophobicContact SD-CG2 4.45Å; L297-I301 WeakPolarHBondContact O-CG1 3.33Å; L297-I301 PolarHBondContact O-N 2.98Å; L298-I301 HydrophobicContact CD2-CD1 4.47Å; L298-I301 PolarHBondContact O-N 2.93Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 3.13Å; I301-D303 VanDerWaalsContact C-N 3.35Å; I301-R518 PolarHBondContact O-NH2 3.34Å; I301-R518 VanDerWaalsContact O-NH2 3.14Å
302	S	63.7	Low	68.7	Low	42 Å²	42	41 Å²	41	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-71.4	-24.5	177.8	70.8	0	0	0	0	114.3	L298 S299 I300	L298-S302 PolarHBondContact O-N 3.43Å; S299-S302 PolarHBondContact O-N 3.14Å; S299-S302 PolarHBondContact O-OG 3.27Å; I300-S302 PolarHBondContact O-N 3.1Å
303	D	71.8	Confident	70.8	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.064	18%	0.18	C	C	.	.			trans	-103.8	105.1	-178.4	-168.2	110.4	0	0	0	110.4	I300 I301 C305 A306 R307 F355 R461	I300-D303 PolarHBondContact O-N 3.43Å; I300-D303 VanDerWaalsContact O-N 3.09Å; I300-D303 VanDerWaalsContact O-O 3.1Å; I301-D303 VanDerWaalsContact C-N 3.35Å; D303-C305 PolarHBondContact O-N 2.91Å; D303-C305 VanDerWaalsContact O-N 3.13Å; D303-C305 WeakPolarHBondContact OD2-CB 3.26Å; D303-C305 PolarHBondContact OD2-N 3.49Å; D303-A306 HydrophobicContact CB-CB 3.94Å; D303-A306 PolarHBondContact O-N 3.46Å; D303-A306 PolarHBondContact OD2-N 2.95Å; D303-A306 VanDerWaalsContact OD2-N 3.09Å; D303-R307 PolarHBondContact O-N 3.11Å; D303-F355 HydrophobicContact CB-CD2 3.86Å; D303-F355 HydrophobicContact CB-CE2 3.38Å; D303-F355 HydrophobicContact CB-CZ 4Å; D303-R461 IonicContact OD1-CZ 3.36Å; D303-R461 IonicContact OD1-NH1 2.84Å; D303-R461 PolarHBondContact OD1-NH1 3.24Å; D303-R461 IonicContact OD1-NH2 2.89Å; D303-R461 PolarHBondContact OD1-NH2 2.87Å
304	G	68.5	Low	72.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-25.2	-174.5	0	0	0	0	0	114.4	F308 D519	G304-F308 VanDerWaalsContact O-CB 3.25Å; G304-F308 WeakPolarHBondContact O-CB 3.43Å; G304-F308 PolarHBondContact O-N 2.94Å; G304-F308 VanDerWaalsContact O-N 3.13Å; G304-D519 VanDerWaalsContact CA-OD1 3.3Å; G304-D519 WeakPolarHBondContact CA-OD1 3.36Å
305	C	73.4	Confident	73.7	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-76	-44.1	173.9	-172.5	0	0	0	0	111.1	D303 V309 K351 A352 T522 F523	D303-C305 PolarHBondContact O-N 2.91Å; D303-C305 VanDerWaalsContact O-N 3.13Å; D303-C305 WeakPolarHBondContact OD2-CB 3.26Å; D303-C305 PolarHBondContact OD2-N 3.49Å; C305-V309 WeakPolarHBondContact O-CG2 3.41Å; C305-V309 PolarHBondContact O-N 3.35Å; C305-V309 VanDerWaalsContact O-N 3.12Å; C305-K351 WeakPolarHBondContact SG-CB 3.32Å; C305-A352 HydrophobicContact CB-CB 4.19Å; C305-T522 HydrophobicContact CB-CG2 4.08Å; C305-F523 VanDerWaalsContact SG-CD2 3.51Å
306	A	78.7	Confident	75.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-43.5	176.5	0	0	0	0	0	111.6	I300 D303 V309 H310 A352 F355 L359	I300-A306 HydrophobicContact CG2-CB 4.17Å; D303-A306 HydrophobicContact CB-CB 3.94Å; D303-A306 PolarHBondContact O-N 3.46Å; D303-A306 PolarHBondContact OD2-N 2.95Å; D303-A306 VanDerWaalsContact OD2-N 3.09Å; A306-V309 PolarHBondContact O-N 3.29Å; A306-H310 WeakPolarHBondContact O-CB 3.07Å; A306-H310 PolarHBondContact O-N 2.98Å; A306-A352 HydrophobicContact CB-CB 4.49Å; A306-F355 HydrophobicContact CB-CB 3.65Å; A306-F355 HydrophobicContact CB-CD1 4.37Å; A306-F355 HydrophobicContact CB-CD2 3.72Å; A306-F355 HydrophobicContact CB-CG 3.63Å; A306-L359 HydrophobicContact CB-CD1 4.28Å
307	R	76.3	Confident	76.4	Confident	42 Å²	42	18.5 Å²	18.5	16%	0.158	10%	0.098	C	C	.	.	H	α-helix	trans	-67.7	-37.8	178.9	-164.2	-177.9	63.4	156.6	-1.9	112.7	I300 D303 H310 H311 F515 D519	I300-R307 HydrophobicContact CG2-CB 4.17Å; D303-R307 PolarHBondContact O-N 3.11Å; R307-H310 PolarHBondContact O-N 3.31Å; R307-H311 WeakPolarHBondContact O-CB 3.47Å; R307-H311 PolarHBondContact O-N 2.96Å; R307-F515 PolarHBondContact NH2-O 3.48Å; R307-D519 WeakPolarHBondContact CB-OD2 3.38Å; R307-D519 IonicContact CZ-OD1 2.73Å; R307-D519 IonicContact CZ-OD2 3.7Å; R307-D519 IonicContact NE-OD1 2.64Å; R307-D519 IonicContact NE-OD2 2.64Å; R307-D519 PolarHBondContact NE-OD2 3.03Å; R307-D519 IonicContact NH2-OD1 3.8Å; R307-D519 PolarHBondContact NH2-OD1 3.45Å; R307-D519 IonicContact NH2-OD2 2.65Å; R307-D519 PolarHBondContact NH2-OD2 3.02Å
308	F	76.4	Confident	77.5	Confident	3 Å²	3	18.7 Å²	18.7	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-47.3	173.2	-178.8	-110	0	0	0	112.3	G304 H311 Q312 D519 F523 I588 V616	G304-F308 VanDerWaalsContact O-CB 3.25Å; G304-F308 WeakPolarHBondContact O-CB 3.43Å; G304-F308 PolarHBondContact O-N 2.94Å; G304-F308 VanDerWaalsContact O-N 3.13Å; F308-H311 PolarHBondContact O-N 3.26Å; F308-Q312 PolarHBondContact O-N 3.2Å; F308-Q312 VanDerWaalsContact O-N 3.14Å; F308-D519 HydrophobicContact CB-CB 4.32Å; F308-F523 HydrophobicContact CD1-CB 3.91Å; F308-F523 HydrophobicContact CD1-CD1 4.09Å; F308-F523 AromaticContact CD1-CD2 3.7Å; F308-F523 HydrophobicContact CD1-CD2 3.7Å; F308-F523 HydrophobicContact CD1-CE2 4.17Å; F308-F523 AromaticContact CD1-CG 3.65Å; F308-F523 HydrophobicContact CD1-CG 3.65Å; F308-F523 HydrophobicContact CE1-CB 4.17Å; F308-F523 AromaticContact CE1-CD1 3.77Å; F308-F523 HydrophobicContact CE1-CD1 3.77Å; F308-F523 HydrophobicContact CE1-CD2 4.23Å; F308-F523 HydrophobicContact CE1-CE1 4.15Å; F308-F523 AromaticContact CE1-CG 3.81Å; F308-F523 HydrophobicContact CE1-CG 3.81Å; F308-I588 HydrophobicContact CE2-CD1 4.17Å; F308-I588 HydrophobicContact CE2-CG1 4.34Å; F308-I588 HydrophobicContact CZ-CD1 3.99Å; F308-I588 HydrophobicContact CZ-CG1 4.37Å; F308-V616 HydrophobicContact CD2-CG2 4.36Å; F308-V616 HydrophobicContact CE2-CG1 4.24Å; F308-V616 HydrophobicContact CE2-CG2 3.85Å
309	V	82.9	Confident	78.6	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.8	167.1	0	0	0	0	111.3	C305 A306 H311 Q312 I313 I344 A348 L359 F523	C305-V309 WeakPolarHBondContact O-CG2 3.41Å; C305-V309 PolarHBondContact O-N 3.35Å; C305-V309 VanDerWaalsContact O-N 3.12Å; A306-V309 PolarHBondContact O-N 3.29Å; V309-H311 PolarHBondContact O-N 3.3Å; V309-Q312 PolarHBondContact O-N 2.95Å; V309-I313 HydrophobicContact CG1-CD1 4.06Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 2.67Å; V309-I313 VanDerWaalsContact O-N 3.17Å; V309-I344 HydrophobicContact CB-CG2 4.48Å; V309-I344 HydrophobicContact CG1-CG2 3.66Å; V309-A348 HydrophobicContact CB-CB 4.46Å; V309-A348 HydrophobicContact CG1-CB 3.9Å; V309-A348 HydrophobicContact CG2-CB 3.92Å; V309-L359 HydrophobicContact CB-CD1 4.22Å; V309-L359 HydrophobicContact CG1-CB 4.47Å; V309-L359 HydrophobicContact CG1-CD1 3.88Å; V309-L359 HydrophobicContact CG1-CD2 4.14Å; V309-L359 HydrophobicContact CG1-CG 4.38Å; V309-F523 HydrophobicContact CG2-CE2 3.99Å
310	H	84.9	Confident	79.7	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.019	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-45.8	177.4	178.9	-100.1	0	0	0	112.2	N280 I282 I300 A306 R307 Q312 I313 V314 L359	N280-H310 PolarHBondContact O-CE1 2.96Å; I282-H310 VanDerWaalsContact CD1-CE1 3.44Å; I282-H310 WeakPolarHBondContact CD1-CE1 3.5Å; I300-H310 HydrophobicContact CG2-CB 3.94Å; A306-H310 WeakPolarHBondContact O-CB 3.07Å; A306-H310 PolarHBondContact O-N 2.98Å; R307-H310 PolarHBondContact O-N 3.31Å; H310-Q312 PolarHBondContact O-N 2.9Å; H310-I313 PolarHBondContact O-N 3.33Å; H310-I313 VanDerWaalsContact O-N 3.14Å; H310-V314 PolarHBondContact O-N 3.49Å; H310-V314 VanDerWaalsContact O-N 3.1Å; H310-L359 HydrophobicContact CB-CD2 3.94Å
311	H	81.3	Confident	80.7	Confident	68 Å²	68	16.1 Å²	16.1	32%	0.315	8%	0.084	S	C	.	.	H	α-helix	trans	-58.7	-45.3	175.9	177.3	40.7	0	0	0	111.8	R307 F308 V309 I313 V314 E315	R307-H311 WeakPolarHBondContact O-CB 3.47Å; R307-H311 PolarHBondContact O-N 2.96Å; F308-H311 PolarHBondContact O-N 3.26Å; V309-H311 PolarHBondContact O-N 3.3Å; H311-I313 VanDerWaalsContact C-N 3.29Å; H311-I313 PolarHBondContact O-N 3.02Å; H311-V314 PolarHBondContact O-N 3.12Å; H311-V314 VanDerWaalsContact O-N 3.07Å; H311-E315 VanDerWaalsContact CE1-CG 3.49Å; H311-E315 WeakPolarHBondContact CE1-CG 3.17Å; H311-E315 IonicContact CE1-OE1 3.76Å; H311-E315 PolarHBondContact CE1-OE1 3.32Å; H311-E315 IonicContact ND1-OE1 3.14Å; H311-E315 WeakPolarHBondContact O-CG 3.36Å; H311-E315 PolarHBondContact O-N 3.07Å
312	Q	84.5	Confident	81.7	Confident	10 Å²	10	18.9 Å²	18.9	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-37	175.1	-71.7	-177.2	74.2	0	0	113.3	F308 V309 H310 V314 E315 L316 I344 M619	F308-Q312 PolarHBondContact O-N 3.2Å; F308-Q312 VanDerWaalsContact O-N 3.14Å; V309-Q312 PolarHBondContact O-N 2.95Å; H310-Q312 PolarHBondContact O-N 2.9Å; Q312-V314 VanDerWaalsContact C-N 3.34Å; Q312-E315 PolarHBondContact O-N 3.03Å; Q312-L316 WeakPolarHBondContact O-CG 3.13Å; Q312-L316 PolarHBondContact O-N 2.84Å; Q312-I344 HydrophobicContact CB-CD1 4.06Å; Q312-M619 VanDerWaalsContact OE1-CE 3.22Å; Q312-M619 PolarHBondContact OE1-SD 3.29Å
313	I	87.4	Confident	82.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.6	-35.5	176.8	-61.8	165.5	0	0	0	110.9	F276 V309 H310 H311 A317 L341 I344 I362 L366	F276-I313 HydrophobicContact CE1-CG2 4.48Å; F276-I313 HydrophobicContact CZ-CG2 4.06Å; V309-I313 HydrophobicContact CG1-CD1 4.06Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 2.67Å; V309-I313 VanDerWaalsContact O-N 3.17Å; H310-I313 PolarHBondContact O-N 3.33Å; H310-I313 VanDerWaalsContact O-N 3.14Å; H311-I313 VanDerWaalsContact C-N 3.29Å; H311-I313 PolarHBondContact O-N 3.02Å; I313-A317 PolarHBondContact O-N 3.04Å; I313-L341 HydrophobicContact CG1-CD1 3.92Å; I313-L341 HydrophobicContact CG2-CD1 4.29Å; I313-I344 HydrophobicContact CG1-CG2 4.47Å; I313-I362 HydrophobicContact CG2-CG2 4.11Å; I313-L366 HydrophobicContact CG2-CD2 3.94Å
314	V	86.8	Confident	83.3	Confident	10 Å²	10	16.9 Å²	16.9	6%	0.061	9%	0.087	C	C	.	.	H	α-helix	trans	-74.3	-35.8	175.7	177.9	0	0	0	0	112.1	I277 N280 H310 H311 Q312 A317 S318	I277-V314 HydrophobicContact CG2-CG1 4.41Å; N280-V314 HydrophobicContact CB-CG2 3.72Å; H310-V314 PolarHBondContact O-N 3.49Å; H310-V314 VanDerWaalsContact O-N 3.1Å; H311-V314 PolarHBondContact O-N 3.12Å; H311-V314 VanDerWaalsContact O-N 3.07Å; Q312-V314 VanDerWaalsContact C-N 3.34Å; V314-A317 PolarHBondContact O-N 3.28Å; V314-S318 WeakPolarHBondContact O-CB 3.38Å; V314-S318 PolarHBondContact O-N 2.89Å; V314-S318 PolarHBondContact O-OG 2.89Å
315	E	83.2	Confident	84.2	Confident	56 Å²	56	22.8 Å²	22.8	26%	0.262	11%	0.114	S	C	.	.	H	α-helix	trans	-64.7	-44.3	172.7	-71.5	-60	125.8	0	0	111.4	H311 Q312 A317 S318 D319	H311-E315 VanDerWaalsContact CE1-CG 3.49Å; H311-E315 WeakPolarHBondContact CE1-CG 3.17Å; H311-E315 IonicContact CE1-OE1 3.76Å; H311-E315 PolarHBondContact CE1-OE1 3.32Å; H311-E315 IonicContact ND1-OE1 3.14Å; H311-E315 WeakPolarHBondContact O-CG 3.36Å; H311-E315 PolarHBondContact O-N 3.07Å; Q312-E315 PolarHBondContact O-N 3.03Å; E315-A317 VanDerWaalsContact C-N 3.28Å; E315-A317 PolarHBondContact O-N 3.3Å; E315-S318 WeakPolarHBondContact O-CB 3.4Å; E315-S318 PolarHBondContact O-N 3.45Å; E315-D319 PolarHBondContact O-N 3.25Å
316	L	86.8	Confident	84.6	Confident	14 Å²	14	26.3 Å²	26.3	7%	0.073	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-37.5	173.5	-74.9	172.5	0	0	0	112.3	Q312 C320 M337 L341 I344 L366	Q312-L316 WeakPolarHBondContact O-CG 3.13Å; Q312-L316 PolarHBondContact O-N 2.84Å; L316-C320 WeakPolarHBondContact O-CB 3.4Å; L316-C320 PolarHBondContact O-N 3.35Å; L316-M337 HydrophobicContact CB-CE 4.23Å; L316-M337 HydrophobicContact CD2-CG 4.49Å; L316-M337 WeakPolarHBondContact O-CE 3.48Å; L316-L341 HydrophobicContact CD1-CB 4.44Å; L316-L341 HydrophobicContact CD1-CD1 4.32Å; L316-I344 HydrophobicContact CD1-CD1 3.68Å; L316-L366 HydrophobicContact CB-CD2 4.44Å
317	A	89.9	Confident	84.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-36.5	174	0	0	0	0	0	112.5	L273 F276 I277 I313 V314 E315 L321 L366	L273-A317 HydrophobicContact CD2-CB 4.24Å; F276-A317 HydrophobicContact CD1-CB 3.64Å; F276-A317 HydrophobicContact CE1-CB 3.67Å; I277-A317 HydrophobicContact CD1-CB 4.4Å; I277-A317 HydrophobicContact CG1-CB 3.99Å; I313-A317 PolarHBondContact O-N 3.04Å; V314-A317 PolarHBondContact O-N 3.28Å; E315-A317 VanDerWaalsContact C-N 3.28Å; E315-A317 PolarHBondContact O-N 3.3Å; A317-L321 PolarHBondContact O-N 3.39Å; A317-L366 HydrophobicContact CB-CD1 3.76Å; A317-L366 HydrophobicContact CB-CD2 4.3Å
318	S	87.9	Confident	84.9	Confident	29 Å²	29	30.2 Å²	30.2	20%	0.203	15%	0.154	C	C	.	.	H	α-helix	trans	-72.3	-37.3	179.5	-56.9	0	0	0	0	112.6	V314 E315 L321 T322	V314-S318 WeakPolarHBondContact O-CB 3.38Å; V314-S318 PolarHBondContact O-N 2.89Å; V314-S318 PolarHBondContact O-OG 2.89Å; E315-S318 WeakPolarHBondContact O-CB 3.4Å; E315-S318 PolarHBondContact O-N 3.45Å; S318-L321 PolarHBondContact O-N 3.44Å; S318-T322 WeakPolarHBondContact O-CB 3.39Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 3.2Å
319	D	85.6	Confident	85.3	Confident	23 Å²	23	30.2 Å²	30.2	12%	0.123	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-46.5	170.1	-179.9	62.3	0	0	0	111.6	E315 L321 T322 K323 Y333 L618	E315-D319 PolarHBondContact O-N 3.25Å; D319-L321 PolarHBondContact O-N 2.79Å; D319-T322 CarbonylContact O-C 3.53Å; D319-T322 WeakPolarHBondContact O-CA 3.19Å; D319-T322 PolarHBondContact O-N 3.33Å; D319-K323 WeakPolarHBondContact O-CB 3.38Å; D319-K323 PolarHBondContact O-N 3.25Å; D319-Y333 VanDerWaalsContact OD2-CE2 3.23Å; D319-Y333 WeakPolarHBondContact OD2-CE2 3.13Å; D319-Y333 VanDerWaalsContact OD2-CZ 3.31Å; D319-Y333 PolarHBondContact OD2-OH 2.78Å; D319-L618 HydrophobicContact CB-CD1 3.71Å; D319-L618 HydrophobicContact CB-CD2 3.53Å; D319-L618 HydrophobicContact CB-CG 4.24Å
320	C	89.3	Confident	85.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-32.6	177.1	-177.3	0	0	0	0	112.4	L273 L316 S324 Y333 M337	L273-C320 HydrophobicContact CD1-CB 4.12Å; L316-C320 WeakPolarHBondContact O-CB 3.4Å; L316-C320 PolarHBondContact O-N 3.35Å; C320-S324 WeakPolarHBondContact O-CB 3.29Å; C320-S324 PolarHBondContact O-N 3.1Å; C320-Y333 WeakPolarHBondContact CA-OH 3.4Å; C320-Y333 HydrophobicContact CB-CE1 4.23Å; C320-Y333 PolarHBondContact N-OH 3.28Å; C320-Y333 VanDerWaalsContact N-OH 3.12Å; C320-M337 HydrophobicContact CB-CE 3.72Å; C320-M337 HydrophobicContact CB-SD 4.26Å
321	L	90.2	Very high	84.6	Confident	18 Å²	18	32 Å²	32	9%	0.094	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-48.6	170.5	177.2	60.7	0	0	0	110.9	E270 L273 N274 I277 A317 S318 D319 S324 E325	E270-L321 HydrophobicContact CB-CD1 3.93Å; E270-L321 HydrophobicContact CG-CD1 4.05Å; L273-L321 HydrophobicContact CB-CB 4.25Å; L273-L321 HydrophobicContact CD1-CB 4.17Å; N274-L321 WeakPolarHBondContact ND2-CD1 3.36Å; N274-L321 WeakPolarHBondContact ND2-CD2 3.49Å; I277-L321 HydrophobicContact CD1-CB 4.4Å; I277-L321 HydrophobicContact CD1-CD2 3.88Å; A317-L321 PolarHBondContact O-N 3.39Å; S318-L321 PolarHBondContact O-N 3.44Å; D319-L321 PolarHBondContact O-N 2.79Å; L321-S324 WeakPolarHBondContact O-CB 3.26Å; L321-S324 PolarHBondContact O-N 3.25Å; L321-E325 HydrophobicContact CD1-CG 4.3Å; L321-E325 WeakPolarHBondContact O-CG 3.35Å; L321-E325 PolarHBondContact O-N 3.02Å
322	T	86.2	Confident	84.4	Confident	60 Å²	60	31.7 Å²	31.7	37%	0.368	18%	0.176	S	C	.	.	H	α-helix	trans	-62.1	-50.9	-178	-59.2	0	0	0	0	112.6	S318 D319 S324 E325 Q326	S318-T322 WeakPolarHBondContact O-CB 3.39Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 3.2Å; D319-T322 CarbonylContact O-C 3.53Å; D319-T322 WeakPolarHBondContact O-CA 3.19Å; D319-T322 PolarHBondContact O-N 3.33Å; T322-S324 PolarHBondContact O-N 3.36Å; T322-E325 PolarHBondContact O-N 2.85Å; T322-Q326 VanDerWaalsContact CG2-NE2 3.32Å; T322-Q326 WeakPolarHBondContact O-CB 3.47Å; T322-Q326 VanDerWaalsContact O-CG 3.27Å; T322-Q326 WeakPolarHBondContact O-CG 3.5Å; T322-Q326 PolarHBondContact O-N 3.22Å
323	K	83.4	Confident	84.3	Confident	13 Å²	13	32.1 Å²	32.1	6%	0.057	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-30.5	174.8	-64.5	-80.5	-172	169.5	0	111.2	D319 D327 L328 I329 Y333 D631 E634	D319-K323 WeakPolarHBondContact O-CB 3.38Å; D319-K323 PolarHBondContact O-N 3.25Å; K323-D327 PolarHBondContact O-N 2.93Å; K323-L328 HydrophobicContact CB-CB 4.36Å; K323-L328 HydrophobicContact CD-CB 4.07Å; K323-L328 HydrophobicContact CD-CD1 4.1Å; K323-L328 PolarHBondContact O-N 3.38Å; K323-I329 HydrophobicContact CB-CG2 4.31Å; K323-Y333 HydrophobicContact CG-CE2 4.2Å; K323-D631 IonicContact NZ-OD2 3.36Å; K323-D631 PolarHBondContact NZ-OD2 2.89Å; K323-E634 IonicContact NZ-OE1 2.86Å; K323-E634 PolarHBondContact NZ-OE1 2.8Å
324	S	86.5	Confident	84.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-51.3	171.3	-177	0	0	0	0	111.6	K266 M269 E270 C320 L321 T322 Q326 D327	K266-S324 WeakPolarHBondContact CE-O 3.42Å; K266-S324 WeakPolarHBondContact CE-OG 3.38Å; K266-S324 PolarHBondContact NZ-O 2.72Å; M269-S324 VanDerWaalsContact CE-CB 3.43Å; M269-S324 WeakPolarHBondContact CE-OG 3.43Å; E270-S324 VanDerWaalsContact CD-OG 3.27Å; E270-S324 WeakPolarHBondContact CG-OG 3.32Å; E270-S324 WeakPolarHBondContact OE1-CB 3.22Å; E270-S324 PolarHBondContact OE1-OG 3.12Å; C320-S324 WeakPolarHBondContact O-CB 3.29Å; C320-S324 PolarHBondContact O-N 3.1Å; L321-S324 WeakPolarHBondContact O-CB 3.26Å; L321-S324 PolarHBondContact O-N 3.25Å; T322-S324 PolarHBondContact O-N 3.36Å; S324-Q326 PolarHBondContact O-N 2.79Å; S324-D327 PolarHBondContact O-N 2.84Å
325	E	86.6	Confident	83.9	Confident	123 Å²	123	36.4 Å²	36.4	58%	0.575	19%	0.194	S	C	*	.	H	α-helix	trans	-57.3	-36	178.9	-73.2	-176.4	177.6	0	0	111.8	L321 T322 D327	L321-E325 HydrophobicContact CD1-CG 4.3Å; L321-E325 WeakPolarHBondContact O-CG 3.35Å; L321-E325 PolarHBondContact O-N 3.02Å; T322-E325 PolarHBondContact O-N 2.85Å; E325-D327 VanDerWaalsContact C-N 3.32Å; E325-D327 PolarHBondContact O-N 2.78Å
326	Q	82.4	Confident	83.6	Confident	79 Å²	79	34.8 Å²	34.8	37%	0.369	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.9	176.5	-64.9	170.6	7.1	0	0	115	T322 S324 L328	T322-Q326 VanDerWaalsContact CG2-NE2 3.32Å; T322-Q326 WeakPolarHBondContact O-CB 3.47Å; T322-Q326 VanDerWaalsContact O-CG 3.27Å; T322-Q326 WeakPolarHBondContact O-CG 3.5Å; T322-Q326 PolarHBondContact O-N 3.22Å; S324-Q326 PolarHBondContact O-N 2.79Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 HydrophobicContact CB-CD1 4.01Å; Q326-L328 HydrophobicContact CB-CG 3.95Å; Q326-L328 PolarHBondContact O-N 2.92Å
327	D	82.5	Confident	83.5	Confident	43 Å²	43	34.4 Å²	34.4	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	28.3	-174.4	-60.7	-62.2	0	0	0	115.1	S255 K259 K266 K323 S324 E325	S255-D327 WeakPolarHBondContact CB-O 3.24Å; S255-D327 PolarHBondContact OG-O 2.82Å; K259-D327 VanDerWaalsContact CD-OD1 3.3Å; K259-D327 WeakPolarHBondContact CD-OD1 3.44Å; K259-D327 WeakPolarHBondContact CE-OD2 3.22Å; K259-D327 IonicContact NZ-OD1 2.69Å; K259-D327 IonicContact NZ-OD2 3.54Å; K259-D327 PolarHBondContact NZ-OD2 3.26Å; K266-D327 IonicContact NZ-OD1 3.52Å; K266-D327 PolarHBondContact NZ-OD1 3.18Å; K323-D327 PolarHBondContact O-N 2.93Å; S324-D327 PolarHBondContact O-N 2.84Å; E325-D327 VanDerWaalsContact C-N 3.32Å; E325-D327 PolarHBondContact O-N 2.78Å
328	L	79	Confident	83.3	Confident	81 Å²	81	36.1 Å²	36.1	42%	0.424	20%	0.195	S	C	.	.			trans	-95.2	5.8	-178.3	-60.8	179.4	0	0	0	114.5	K323 Q326 S330	K323-L328 HydrophobicContact CB-CB 4.36Å; K323-L328 HydrophobicContact CD-CB 4.07Å; K323-L328 HydrophobicContact CD-CD1 4.1Å; K323-L328 PolarHBondContact O-N 3.38Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 HydrophobicContact CB-CD1 4.01Å; Q326-L328 HydrophobicContact CB-CG 3.95Å; Q326-L328 PolarHBondContact O-N 2.92Å; L328-S330 PolarHBondContact O-N 3.48Å
329	I	83.1	Confident	83	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.206	C	C	.	.			trans	-74.5	123.5	-178.4	49.4	170.2	0	0	0	113.5	Y258 M269 K323 Y333 F334	Y258-I329 HydrophobicContact CD1-CD1 4.06Å; Y258-I329 HydrophobicContact CE1-CD1 3.74Å; M269-I329 HydrophobicContact CE-CD1 4.19Å; K323-I329 HydrophobicContact CB-CG2 4.31Å; I329-Y333 HydrophobicContact CG2-CD1 4.31Å; I329-Y333 HydrophobicContact CG2-CE1 4.45Å; I329-F334 HydrophobicContact CB-CE2 4.04Å; I329-F334 HydrophobicContact CB-CZ 4.37Å; I329-F334 HydrophobicContact CD1-CE2 4.49Å; I329-F334 HydrophobicContact CG2-CE2 4.33Å; I329-F334 HydrophobicContact CG2-CZ 4.18Å
330	S	79.9	Confident	82.9	Confident	15 Å²	15	38.4 Å²	38.4	11%	0.105	20%	0.201	C	C	.	.			trans	-120.9	171.1	177.5	68.7	0	0	0	0	111.8	L328 A332 Y333 F334	L328-S330 PolarHBondContact O-N 3.48Å; S330-A332 VanDerWaalsContact C-N 3.33Å; S330-Y333 WeakPolarHBondContact OG-CB 3.39Å; S330-Y333 PolarHBondContact OG-N 3.45Å; S330-Y333 VanDerWaalsContact OG-N 3.12Å; S330-F334 VanDerWaalsContact O-CD2 3.28Å; S330-F334 WeakPolarHBondContact O-CD2 3.38Å; S330-F334 PolarHBondContact O-N 2.85Å
331	S	75.2	Confident	82.7	Confident	27 Å²	27	38.6 Å²	38.6	19%	0.189	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-36.5	172.6	88.7	0	0	0	0	112	F334 Y335 E381	S331-F334 PolarHBondContact O-N 2.91Å; S331-Y335 PolarHBondContact O-N 3.02Å; S331-E381 VanDerWaalsContact CB-OE1 3.28Å; S331-E381 WeakPolarHBondContact CB-OE1 3.24Å; S331-E381 VanDerWaalsContact CB-OE2 3.24Å; S331-E381 WeakPolarHBondContact CB-OE2 3.44Å; S331-E381 VanDerWaalsContact OG-CD 3.26Å; S331-E381 PolarHBondContact OG-OE1 3.28Å; S331-E381 PolarHBondContact OG-OE2 3.42Å
332	A	75.3	Confident	82.5	Confident	62 Å²	62	42.5 Å²	42.5	51%	0.512	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-46.3	179	0	0	0	0	0	111.3	S330 F334 Y335 E336	S330-A332 VanDerWaalsContact C-N 3.33Å; A332-F334 VanDerWaalsContact C-N 3.35Å; A332-F334 PolarHBondContact O-N 3.3Å; A332-Y335 WeakPolarHBondContact O-CB 3.12Å; A332-Y335 PolarHBondContact O-N 2.8Å; A332-Y335 VanDerWaalsContact O-N 3.1Å; A332-E336 PolarHBondContact O-N 3.5Å
333	Y	84.1	Confident	82.3	Confident	19 Å²	19	41.9 Å²	41.9	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-52.7	-50.3	173.1	175.2	-95.7	0	0	0	111.8	D319 C320 K323 I329 S330 Y335 M337	D319-Y333 VanDerWaalsContact OD2-CE2 3.23Å; D319-Y333 WeakPolarHBondContact OD2-CE2 3.13Å; D319-Y333 VanDerWaalsContact OD2-CZ 3.31Å; D319-Y333 PolarHBondContact OD2-OH 2.78Å; C320-Y333 WeakPolarHBondContact CA-OH 3.4Å; C320-Y333 HydrophobicContact CB-CE1 4.23Å; C320-Y333 PolarHBondContact N-OH 3.28Å; C320-Y333 VanDerWaalsContact N-OH 3.12Å; K323-Y333 HydrophobicContact CG-CE2 4.2Å; I329-Y333 HydrophobicContact CG2-CD1 4.31Å; I329-Y333 HydrophobicContact CG2-CE1 4.45Å; S330-Y333 WeakPolarHBondContact OG-CB 3.39Å; S330-Y333 PolarHBondContact OG-N 3.45Å; S330-Y333 VanDerWaalsContact OG-N 3.12Å; Y333-Y335 VanDerWaalsContact C-N 3.33Å; Y333-Y335 PolarHBondContact O-N 2.67Å; Y333-M337 HydrophobicContact CE1-SD 4.17Å; Y333-M337 WeakPolarHBondContact O-CB 3.22Å; Y333-M337 PolarHBondContact O-N 2.87Å
334	F	86.1	Confident	82.3	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-30	178.8	-76.1	-60.5	0	0	0	113.8	M269 I329 S330 S331 A332 M337 T338 V370 P373 A374 L377	M269-F334 HydrophobicContact CE-CZ 4.44Å; M269-F334 HydrophobicContact SD-CE1 4.23Å; M269-F334 HydrophobicContact SD-CZ 3.79Å; I329-F334 HydrophobicContact CB-CE2 4.04Å; I329-F334 HydrophobicContact CB-CZ 4.37Å; I329-F334 HydrophobicContact CD1-CE2 4.49Å; I329-F334 HydrophobicContact CG2-CE2 4.33Å; I329-F334 HydrophobicContact CG2-CZ 4.18Å; S330-F334 VanDerWaalsContact O-CD2 3.28Å; S330-F334 WeakPolarHBondContact O-CD2 3.38Å; S330-F334 PolarHBondContact O-N 2.85Å; S331-F334 PolarHBondContact O-N 2.91Å; A332-F334 VanDerWaalsContact C-N 3.35Å; A332-F334 PolarHBondContact O-N 3.3Å; F334-M337 HydrophobicContact CD1-SD 4.24Å; F334-T338 WeakPolarHBondContact O-CB 3.25Å; F334-T338 PolarHBondContact O-N 2.85Å; F334-T338 PolarHBondContact O-OG1 3.08Å; F334-V370 HydrophobicContact CD1-CB 3.81Å; F334-V370 HydrophobicContact CD1-CG1 4.25Å; F334-V370 HydrophobicContact CD1-CG2 4.39Å; F334-V370 HydrophobicContact CE1-CB 3.64Å; F334-V370 HydrophobicContact CE1-CG1 3.77Å; F334-P373 HydrophobicContact CE2-CB 4.11Å; F334-P373 HydrophobicContact CZ-CB 3.98Å; F334-A374 HydrophobicContact CB-CB 3.6Å; F334-A374 HydrophobicContact CD1-CB 4.31Å; F334-A374 HydrophobicContact CD2-CB 3.95Å; F334-A374 HydrophobicContact CG-CB 3.7Å; F334-L377 HydrophobicContact CD2-CD1 3.79Å; F334-L377 HydrophobicContact CE2-CD1 3.59Å
335	Y	78.3	Confident	82.3	Confident	97 Å²	97	42.3 Å²	42.3	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-53.5	176.3	-179.7	-90.4	0	0	0	111.1	P227 S331 A332 Y333 T338 E339	P227-Y335 WeakPolarHBondContact CB-OH 3.4Å; P227-Y335 VanDerWaalsContact CD-OH 3.31Å; P227-Y335 WeakPolarHBondContact CD-OH 3.5Å; P227-Y335 PolarHBondContact O-OH 2.65Å; S331-Y335 PolarHBondContact O-N 3.02Å; A332-Y335 WeakPolarHBondContact O-CB 3.12Å; A332-Y335 PolarHBondContact O-N 2.8Å; A332-Y335 VanDerWaalsContact O-N 3.1Å; Y333-Y335 VanDerWaalsContact C-N 3.33Å; Y333-Y335 PolarHBondContact O-N 2.67Å; Y335-T338 WeakPolarHBondContact O-CA 3.37Å; Y335-T338 VanDerWaalsContact O-CB 3.23Å; Y335-T338 WeakPolarHBondContact O-CB 3.18Å; Y335-T338 PolarHBondContact O-N 2.88Å; Y335-T338 VanDerWaalsContact O-N 3.14Å; Y335-E339 HydrophobicContact CD1-CG 4.31Å; Y335-E339 HydrophobicContact CE1-CG 3.98Å; Y335-E339 PolarHBondContact O-N 3.34Å; Y335-E339 VanDerWaalsContact O-N 3.11Å
336	E	78.3	Confident	82.2	Confident	22 Å²	22	41.1 Å²	41.1	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-86.6	-25.4	-171	149.8	-68.3	142.4	0	0	112.2	A332 T338 E339 N340 T622	A332-E336 PolarHBondContact O-N 3.5Å; E336-T338 PolarHBondContact O-N 3.11Å; E336-E339 PolarHBondContact O-N 3.34Å; E336-N340 PolarHBondContact O-N 2.88Å; E336-N340 PolarHBondContact O-ND2 2.65Å; E336-N340 PolarHBondContact OE1-ND2 2.84Å; E336-T622 VanDerWaalsContact CD-CG2 3.45Å; E336-T622 WeakPolarHBondContact OE1-CA 3.3Å; E336-T622 WeakPolarHBondContact OE1-CB 3.44Å; E336-T622 VanDerWaalsContact OE1-CG2 3.27Å; E336-T622 WeakPolarHBondContact OE1-CG2 3.49Å; E336-T622 PolarHBondContact OE1-OG1 2.84Å; E336-T622 WeakPolarHBondContact OE2-CG2 3.43Å
337	M	84.2	Confident	82	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-51.3	-39.9	157.7	-177.5	-158.8	-174.2	0	0	111.1	L316 C320 Y333 F334 L341 L366 V370	L316-M337 HydrophobicContact CB-CE 4.23Å; L316-M337 HydrophobicContact CD2-CG 4.49Å; L316-M337 WeakPolarHBondContact O-CE 3.48Å; C320-M337 HydrophobicContact CB-CE 3.72Å; C320-M337 HydrophobicContact CB-SD 4.26Å; Y333-M337 HydrophobicContact CE1-SD 4.17Å; Y333-M337 WeakPolarHBondContact O-CB 3.22Å; Y333-M337 PolarHBondContact O-N 2.87Å; F334-M337 HydrophobicContact CD1-SD 4.24Å; M337-L341 WeakPolarHBondContact O-CB 3.36Å; M337-L341 PolarHBondContact O-N 2.94Å; M337-L366 HydrophobicContact CE-CD1 4.32Å; M337-L366 HydrophobicContact CE-CD2 4.13Å; M337-L366 HydrophobicContact CE-CG 4.32Å; M337-V370 HydrophobicContact CE-CG1 4.31Å; M337-V370 HydrophobicContact SD-CG1 4.31Å
338	T	85.6	Confident	82	Confident	37 Å²	37	37.5 Å²	37.5	23%	0.227	20%	0.197	C	C	.	.	H	α-helix	trans	-73.7	-30.7	177.6	-58	0	0	0	0	112.3	F334 Y335 E336 Q342 M367	F334-T338 WeakPolarHBondContact O-CB 3.25Å; F334-T338 PolarHBondContact O-N 2.85Å; F334-T338 PolarHBondContact O-OG1 3.08Å; Y335-T338 WeakPolarHBondContact O-CA 3.37Å; Y335-T338 VanDerWaalsContact O-CB 3.23Å; Y335-T338 WeakPolarHBondContact O-CB 3.18Å; Y335-T338 PolarHBondContact O-N 2.88Å; Y335-T338 VanDerWaalsContact O-N 3.14Å; E336-T338 PolarHBondContact O-N 3.11Å; T338-Q342 WeakPolarHBondContact O-CG 3.49Å; T338-Q342 PolarHBondContact O-N 2.83Å; T338-Q342 VanDerWaalsContact O-N 3.15Å; T338-Q342 PolarHBondContact O-NE2 3.18Å; T338-M367 HydrophobicContact CG2-SD 4.04Å
339	E	82.1	Confident	82.2	Confident	95 Å²	95	38 Å²	38	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-70.1	-43.6	171.8	-64.9	-158.2	120.6	0	0	112	Y335 E336 L341 Q342 S343	Y335-E339 HydrophobicContact CD1-CG 4.31Å; Y335-E339 HydrophobicContact CE1-CG 3.98Å; Y335-E339 PolarHBondContact O-N 3.34Å; Y335-E339 VanDerWaalsContact O-N 3.11Å; E336-E339 PolarHBondContact O-N 3.34Å; E339-L341 PolarHBondContact O-N 3.46Å; E339-Q342 PolarHBondContact O-N 2.97Å; E339-S343 PolarHBondContact O-N 2.85Å
340	N	81.8	Confident	82	Confident	4 Å²	4	43 Å²	43	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.8	-68.3	-27.4	0	0	0	111.3	E336 Q342 S343 I344 R621	E336-N340 PolarHBondContact O-N 2.88Å; E336-N340 PolarHBondContact O-ND2 2.65Å; E336-N340 PolarHBondContact OE1-ND2 2.84Å; N340-Q342 VanDerWaalsContact C-N 3.28Å; N340-Q342 PolarHBondContact O-N 2.95Å; N340-S343 WeakPolarHBondContact O-CB 3.39Å; N340-S343 PolarHBondContact O-N 3.42Å; N340-S343 VanDerWaalsContact O-N 3.13Å; N340-I344 VanDerWaalsContact O-CG1 3.27Å; N340-I344 WeakPolarHBondContact O-CG1 3.38Å; N340-I344 PolarHBondContact O-N 3.03Å; N340-R621 WeakPolarHBondContact OD1-CB 3.38Å
341	L	86.6	Confident	81.8	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-34.1	177.9	-172.7	60.3	0	0	0	112.5	I313 L316 M337 E339 L345 S363 L366 M367	I313-L341 HydrophobicContact CG1-CD1 3.92Å; I313-L341 HydrophobicContact CG2-CD1 4.29Å; L316-L341 HydrophobicContact CD1-CB 4.44Å; L316-L341 HydrophobicContact CD1-CD1 4.32Å; M337-L341 WeakPolarHBondContact O-CB 3.36Å; M337-L341 PolarHBondContact O-N 2.94Å; E339-L341 PolarHBondContact O-N 3.46Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 2.86Å; L341-S363 WeakPolarHBondContact CD1-OG 3.31Å; L341-S363 WeakPolarHBondContact CD2-OG 3.19Å; L341-S363 VanDerWaalsContact CG-OG 3.25Å; L341-S363 WeakPolarHBondContact CG-OG 3.23Å; L341-L366 HydrophobicContact CD2-CD2 4.27Å; L341-M367 HydrophobicContact CD2-CG 3.61Å
342	Q	86.2	Confident	81.9	Confident	100 Å²	100	43.7 Å²	43.7	47%	0.467	23%	0.225	S	C	.	.	H	α-helix	trans	-71.6	-40.8	171.7	-77	174.9	56.9	0	0	112.6	T338 E339 N340 L345 E346	T338-Q342 WeakPolarHBondContact O-CG 3.49Å; T338-Q342 PolarHBondContact O-N 2.83Å; T338-Q342 VanDerWaalsContact O-N 3.15Å; T338-Q342 PolarHBondContact O-NE2 3.18Å; E339-Q342 PolarHBondContact O-N 2.97Å; N340-Q342 VanDerWaalsContact C-N 3.28Å; N340-Q342 PolarHBondContact O-N 2.95Å; Q342-L345 PolarHBondContact O-N 2.94Å; Q342-E346 PolarHBondContact O-N 2.81Å
343	S	82.3	Confident	82.1	Confident	48 Å²	48	46.7 Å²	46.7	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-47.3	176.5	-168.9	0	0	0	0	111.3	E339 N340 L345 E346 E347	E339-S343 PolarHBondContact O-N 2.85Å; N340-S343 WeakPolarHBondContact O-CB 3.39Å; N340-S343 PolarHBondContact O-N 3.42Å; N340-S343 VanDerWaalsContact O-N 3.13Å; S343-L345 VanDerWaalsContact C-N 3.31Å; S343-L345 PolarHBondContact O-N 3.49Å; S343-E346 PolarHBondContact O-N 2.93Å; S343-E347 PolarHBondContact O-N 2.71Å; S343-E347 VanDerWaalsContact O-N 3.12Å
344	I	82.8	Confident	81.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-56.2	-44.7	175.4	-69.4	163.4	0	0	0	110.9	V309 Q312 I313 L316 N340 E347 A348 M619	V309-I344 HydrophobicContact CB-CG2 4.48Å; V309-I344 HydrophobicContact CG1-CG2 3.66Å; Q312-I344 HydrophobicContact CB-CD1 4.06Å; I313-I344 HydrophobicContact CG1-CG2 4.47Å; L316-I344 HydrophobicContact CD1-CD1 3.68Å; N340-I344 VanDerWaalsContact O-CG1 3.27Å; N340-I344 WeakPolarHBondContact O-CG1 3.38Å; N340-I344 PolarHBondContact O-N 3.03Å; I344-E347 PolarHBondContact O-N 3.39Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 2.84Å; I344-M619 HydrophobicContact CD1-CE 3.71Å; I344-M619 HydrophobicContact CG1-CE 3.62Å
345	L	85.8	Confident	81.6	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-39.2	179.6	-79.5	-175.3	0	0	0	113.6	L341 Q342 S343 E347 A348 K349 Y356 L359 K360 S363	L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 2.86Å; Q342-L345 PolarHBondContact O-N 2.94Å; S343-L345 VanDerWaalsContact C-N 3.31Å; S343-L345 PolarHBondContact O-N 3.49Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-A348 PolarHBondContact O-N 2.9Å; L345-K349 VanDerWaalsContact O-CB 3.31Å; L345-K349 WeakPolarHBondContact O-CB 3.46Å; L345-K349 PolarHBondContact O-N 3.14Å; L345-Y356 HydrophobicContact CB-CE2 4.43Å; L345-Y356 HydrophobicContact CD2-CE2 4.45Å; L345-Y356 WeakPolarHBondContact O-CE2 3.32Å; L345-L359 HydrophobicContact CD2-CB 4.46Å; L345-K360 HydrophobicContact CD1-CG 4.49Å; L345-K360 HydrophobicContact CD2-CB 4.41Å; L345-S363 WeakPolarHBondContact CD1-OG 3.33Å
346	E	84.4	Confident	81.9	Confident	98 Å²	98	50.3 Å²	50.3	46%	0.458	25%	0.25	S	S	.	.	H	α-helix	trans	-71.4	-27.6	178.1	-74.4	-67.3	131.1	0	0	112.4	Q342 S343 K349	Q342-E346 PolarHBondContact O-N 2.81Å; S343-E346 PolarHBondContact O-N 2.93Å; E346-K349 WeakPolarHBondContact OE1-CD 3.19Å; E346-K349 IonicContact OE1-NZ 2.7Å; E346-K349 PolarHBondContact OE1-NZ 2.9Å; E346-K349 WeakPolarHBondContact OE2-CD 3.37Å; E346-K349 IonicContact OE2-NZ 2.66Å; E346-K349 PolarHBondContact OE2-NZ 3.47Å
347	E	78.3	Confident	82.3	Confident	45 Å²	45	53.4 Å²	53.4	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-72.2	-43.2	167.3	-66.7	-171.3	132.6	0	0	112.4	S343 I344 L345 K349 V350 K351 F523 Y586	S343-E347 PolarHBondContact O-N 2.71Å; S343-E347 VanDerWaalsContact O-N 3.12Å; I344-E347 PolarHBondContact O-N 3.39Å; L345-E347 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 2.79Å; E347-V350 PolarHBondContact O-N 3.34Å; E347-K351 PolarHBondContact O-N 2.78Å; E347-F523 HydrophobicContact CB-CZ 3.91Å; E347-F523 WeakPolarHBondContact OE2-CE1 3.35Å; E347-F523 WeakPolarHBondContact OE2-CZ 3.35Å; E347-Y586 WeakPolarHBondContact OE1-CE1 3.42Å; E347-Y586 PolarHBondContact OE1-OH 2.52Å; E347-Y586 WeakPolarHBondContact OE2-CE1 3.5Å
348	A	83.1	Confident	82.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-35.6	177.5	0	0	0	0	0	112.3	V309 I344 L345 V350 K351 A352 Y356 L359	V309-A348 HydrophobicContact CB-CB 4.46Å; V309-A348 HydrophobicContact CG1-CB 3.9Å; V309-A348 HydrophobicContact CG2-CB 3.92Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 2.84Å; L345-A348 PolarHBondContact O-N 2.9Å; A348-V350 PolarHBondContact O-N 2.63Å; A348-K351 PolarHBondContact O-N 3.43Å; A348-A352 CarbonylContact O-C 3.59Å; A348-A352 WeakPolarHBondContact O-CA 3.4Å; A348-A352 PolarHBondContact O-N 2.66Å; A348-Y356 HydrophobicContact CB-CD2 4.49Å; A348-L359 HydrophobicContact CB-CD1 4.3Å
349	K	83.9	Confident	82.5	Confident	92 Å²	92	52.8 Å²	52.8	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-25.2	173.1	-174.6	-176.5	177.7	-174.9	0	113.9	L345 E346 E347 Y356	L345-K349 VanDerWaalsContact O-CB 3.31Å; L345-K349 WeakPolarHBondContact O-CB 3.46Å; L345-K349 PolarHBondContact O-N 3.14Å; E346-K349 WeakPolarHBondContact OE1-CD 3.19Å; E346-K349 IonicContact OE1-NZ 2.7Å; E346-K349 PolarHBondContact OE1-NZ 2.9Å; E346-K349 WeakPolarHBondContact OE2-CD 3.37Å; E346-K349 IonicContact OE2-NZ 2.66Å; E346-K349 PolarHBondContact OE2-NZ 3.47Å; E347-K349 PolarHBondContact O-N 2.79Å; K349-Y356 HydrophobicContact CB-CD2 3.69Å; K349-Y356 HydrophobicContact CB-CE2 3.63Å; K349-Y356 HydrophobicContact CB-CG 4.27Å; K349-Y356 HydrophobicContact CD-CE2 4.4Å; K349-Y356 HydrophobicContact CG-CD2 4.36Å; K349-Y356 HydrophobicContact CG-CE1 4.39Å; K349-Y356 HydrophobicContact CG-CE2 4.11Å
350	V	78.6	Confident	82.8	Confident	108 Å²	108	52.3 Å²	52.3	66%	0.655	26%	0.264	S	S	*	.	H	α-helix	trans	-95.3	-42	177.1	178.7	0	0	0	0	111.4	E347 A348	E347-V350 PolarHBondContact O-N 3.34Å; A348-V350 PolarHBondContact O-N 2.63Å
351	K	75.2	Confident	83.1	Confident	54 Å²	54	56.4 Å²	56.4	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-96.8	-27	-170.8	-62.9	179.1	-179.5	179.5	0	114.9	C305 E347 A348 F523	C305-K351 WeakPolarHBondContact SG-CB 3.32Å; E347-K351 PolarHBondContact O-N 2.78Å; A348-K351 PolarHBondContact O-N 3.43Å; K351-F523 HydrophobicContact CB-CE2 4.44Å; K351-F523 HydrophobicContact CD-CD1 4.37Å; K351-F523 HydrophobicContact CD-CD2 3.73Å; K351-F523 HydrophobicContact CD-CE1 4.16Å; K351-F523 HydrophobicContact CD-CE2 3.49Å; K351-F523 VanDerWaalsContact CD-CE2 3.49Å; K351-F523 HydrophobicContact CD-CG 4.18Å; K351-F523 HydrophobicContact CD-CZ 3.73Å; K351-F523 PolarHBondContact NZ-O 2.84Å
352	A	77	Confident	83.2	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	28%	0.283	C	S	.	.			trans	-125.2	47.4	-175.9	0	0	0	0	0	112.2	C305 A306 A348 E354 F355 Y356 L359	C305-A352 HydrophobicContact CB-CB 4.19Å; A306-A352 HydrophobicContact CB-CB 4.49Å; A348-A352 CarbonylContact O-C 3.59Å; A348-A352 WeakPolarHBondContact O-CA 3.4Å; A348-A352 PolarHBondContact O-N 2.66Å; A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 2.88Å; A352-E354 VanDerWaalsContact O-N 3.14Å; A352-F355 PolarHBondContact O-N 3.42Å; A352-Y356 PolarHBondContact O-N 3.13Å; A352-L359 HydrophobicContact CB-CD1 4.3Å
353	I	78.9	Confident	83.4	Confident	124 Å²	124	51.9 Å²	51.9	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-43.8	-170.8	-61.1	169.2	0	0	0	113.2	F355	I353-F355 VanDerWaalsContact C-N 3.34Å; I353-F355 PolarHBondContact O-N 3.49Å
354	E	77.1	Confident	83.7	Confident	125 Å²	125	51.1 Å²	51.1	58%	0.584	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.8	-179.7	-72.1	168.7	-115.2	0	0	113.4	A352 R461	A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 2.88Å; A352-E354 VanDerWaalsContact O-N 3.14Å; E354-R461 IonicContact OE1-CZ 3.2Å; E354-R461 IonicContact OE1-NE 2.87Å; E354-R461 PolarHBondContact OE1-NE 3.03Å; E354-R461 IonicContact OE1-NH2 2.73Å; E354-R461 PolarHBondContact OE1-NH2 2.86Å; E354-R461 IonicContact OE2-CZ 3.65Å; E354-R461 IonicContact OE2-NE 3.33Å; E354-R461 PolarHBondContact OE2-NE 3.05Å; E354-R461 IonicContact OE2-NH2 3.47Å; E354-R461 PolarHBondContact OE2-NH2 3.39Å
355	F	82.8	Confident	84.1	Confident	23 Å²	23	55.7 Å²	55.7	10%	0.101	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.1	-175.7	-63.4	-78.8	0	0	0	113.6	S299 I300 D303 A306 A352 I353 P357 L358 L359	S299-F355 WeakPolarHBondContact O-CE1 3.18Å; S299-F355 WeakPolarHBondContact O-CZ 3.39Å; I300-F355 HydrophobicContact CG1-CD1 4.13Å; D303-F355 HydrophobicContact CB-CD2 3.86Å; D303-F355 HydrophobicContact CB-CE2 3.38Å; D303-F355 HydrophobicContact CB-CZ 4Å; A306-F355 HydrophobicContact CB-CB 3.65Å; A306-F355 HydrophobicContact CB-CD1 4.37Å; A306-F355 HydrophobicContact CB-CD2 3.72Å; A306-F355 HydrophobicContact CB-CG 3.63Å; A352-F355 PolarHBondContact O-N 3.42Å; I353-F355 VanDerWaalsContact C-N 3.34Å; I353-F355 PolarHBondContact O-N 3.49Å; F355-P357 VanDerWaalsContact C-N 3.32Å; F355-L358 PolarHBondContact O-N 3.11Å; F355-L359 HydrophobicContact CB-CD1 4.04Å; F355-L359 HydrophobicContact CB-CG 4.38Å; F355-L359 WeakPolarHBondContact O-CG 3.23Å; F355-L359 PolarHBondContact O-N 3.41Å
356	Y	86	Confident	84.4	Confident	48 Å²	48	54.7 Å²	54.7	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-47.8	-41.1	178.7	174.1	-103.1	0	0	0	114.6	L345 A348 K349 A352 L358 L359 K360	L345-Y356 HydrophobicContact CB-CE2 4.43Å; L345-Y356 HydrophobicContact CD2-CE2 4.45Å; L345-Y356 WeakPolarHBondContact O-CE2 3.32Å; A348-Y356 HydrophobicContact CB-CD2 4.49Å; K349-Y356 HydrophobicContact CB-CD2 3.69Å; K349-Y356 HydrophobicContact CB-CE2 3.63Å; K349-Y356 HydrophobicContact CB-CG 4.27Å; K349-Y356 HydrophobicContact CD-CE2 4.4Å; K349-Y356 HydrophobicContact CG-CD2 4.36Å; K349-Y356 HydrophobicContact CG-CE1 4.39Å; K349-Y356 HydrophobicContact CG-CE2 4.11Å; A352-Y356 PolarHBondContact O-N 3.13Å; Y356-L358 PolarHBondContact O-N 2.8Å; Y356-L359 PolarHBondContact O-N 3.5Å; Y356-K360 HydrophobicContact CE1-CD 4.26Å; Y356-K360 WeakPolarHBondContact O-CB 3.26Å; Y356-K360 PolarHBondContact O-N 2.87Å
357	P	85.9	Confident	84.5	Confident	87 Å²	87	53.3 Å²	53.3	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-60.1	-42.5	177.4	-24	35.1	0	0	0	113.2	F355 E361	F355-P357 VanDerWaalsContact C-N 3.32Å; P357-E361 PolarHBondContact O-N 3.43Å
358	L	86.2	Confident	85	Confident	29 Å²	29	55.9 Å²	55.9	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-73.9	-41.6	-179.4	-179.8	60.1	0	0	0	111.5	Q296 I300 F355 Y356 K360 E361 I362	Q296-L358 HydrophobicContact CB-CD2 3.88Å; I300-L358 HydrophobicContact CD1-CD2 3.6Å; I300-L358 HydrophobicContact CD1-CG 4.07Å; I300-L358 HydrophobicContact CG1-CD2 3.89Å; F355-L358 PolarHBondContact O-N 3.11Å; Y356-L358 PolarHBondContact O-N 2.8Å; L358-K360 VanDerWaalsContact C-N 3.3Å; L358-K360 PolarHBondContact O-N 3.35Å; L358-E361 WeakPolarHBondContact O-CB 3.21Å; L358-E361 PolarHBondContact O-N 3.08Å; L358-E361 VanDerWaalsContact O-N 3.14Å; L358-I362 HydrophobicContact CD1-CD1 4.35Å; L358-I362 HydrophobicContact CG-CD1 4.21Å; L358-I362 WeakPolarHBondContact O-CG1 3.25Å; L358-I362 PolarHBondContact O-N 3.31Å
359	L	87.2	Confident	85.2	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-37.7	174.4	-62.8	168.8	0	0	0	111.5	I300 A306 V309 H310 L345 A348 A352 F355 Y356 S363	I300-L359 HydrophobicContact CD1-CD2 4.35Å; A306-L359 HydrophobicContact CB-CD1 4.28Å; V309-L359 HydrophobicContact CB-CD1 4.22Å; V309-L359 HydrophobicContact CG1-CB 4.47Å; V309-L359 HydrophobicContact CG1-CD1 3.88Å; V309-L359 HydrophobicContact CG1-CD2 4.14Å; V309-L359 HydrophobicContact CG1-CG 4.38Å; H310-L359 HydrophobicContact CB-CD2 3.94Å; L345-L359 HydrophobicContact CD2-CB 4.46Å; A348-L359 HydrophobicContact CB-CD1 4.3Å; A352-L359 HydrophobicContact CB-CD1 4.3Å; F355-L359 HydrophobicContact CB-CD1 4.04Å; F355-L359 HydrophobicContact CB-CG 4.38Å; F355-L359 WeakPolarHBondContact O-CG 3.23Å; F355-L359 PolarHBondContact O-N 3.41Å; Y356-L359 PolarHBondContact O-N 3.5Å; L359-S363 WeakPolarHBondContact O-CB 3.29Å; L359-S363 PolarHBondContact O-N 3.08Å
360	K	89.2	Confident	85.4	Confident	84 Å²	84	52.9 Å²	52.9	37%	0.365	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-38.4	172.3	-176.3	-178.2	177.3	-176.6	0	112	L345 Y356 L358 T364	L345-K360 HydrophobicContact CD1-CG 4.49Å; L345-K360 HydrophobicContact CD2-CB 4.41Å; Y356-K360 HydrophobicContact CE1-CD 4.26Å; Y356-K360 WeakPolarHBondContact O-CB 3.26Å; Y356-K360 PolarHBondContact O-N 2.87Å; L358-K360 VanDerWaalsContact C-N 3.3Å; L358-K360 PolarHBondContact O-N 3.35Å; K360-T364 VanDerWaalsContact O-CB 3.31Å; K360-T364 WeakPolarHBondContact O-CB 3.3Å; K360-T364 PolarHBondContact O-N 3.18Å; K360-T364 PolarHBondContact O-OG1 3.37Å
361	E	88.1	Confident	85.7	Confident	91 Å²	91	50.8 Å²	50.8	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-49.2	175	-165.8	-160.5	125.9	0	0	111.6	P357 L358 S363 T364 K365	P357-E361 PolarHBondContact O-N 3.43Å; L358-E361 WeakPolarHBondContact O-CB 3.21Å; L358-E361 PolarHBondContact O-N 3.08Å; L358-E361 VanDerWaalsContact O-N 3.14Å; E361-S363 PolarHBondContact O-N 2.85Å; E361-T364 WeakPolarHBondContact O-CB 3.17Å; E361-T364 PolarHBondContact O-N 3.28Å; E361-T364 VanDerWaalsContact O-N 3.11Å; E361-K365 PolarHBondContact O-N 2.86Å; E361-K365 WeakPolarHBondContact OE1-CE 3.41Å; E361-K365 IonicContact OE1-NZ 2.61Å; E361-K365 PolarHBondContact OE1-NZ 3.46Å
362	I	89.2	Confident	86	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-45	178.6	-64.8	168.3	0	0	0	110.8	F276 I300 I313 L358 T364 K365 L366	F276-I362 HydrophobicContact CE2-CG2 3.9Å; F276-I362 WeakPolarHBondContact CE2-O 3.01Å; F276-I362 HydrophobicContact CZ-CG2 3.66Å; I300-I362 HydrophobicContact CD1-CD1 4.14Å; I313-I362 HydrophobicContact CG2-CG2 4.11Å; L358-I362 HydrophobicContact CD1-CD1 4.35Å; L358-I362 HydrophobicContact CG-CD1 4.21Å; L358-I362 WeakPolarHBondContact O-CG1 3.25Å; L358-I362 PolarHBondContact O-N 3.31Å; I362-T364 VanDerWaalsContact C-N 3.33Å; I362-T364 PolarHBondContact O-N 3.34Å; I362-K365 WeakPolarHBondContact O-CB 3.23Å; I362-K365 PolarHBondContact O-N 3.03Å; I362-L366 PolarHBondContact O-N 3.01Å; I362-L366 VanDerWaalsContact O-N 3.1Å
363	S	89.8	Confident	86.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-41.1	172.1	174.1	0	0	0	0	112.7	L341 L345 L359 E361 L366 M367	L341-S363 WeakPolarHBondContact CD1-OG 3.31Å; L341-S363 WeakPolarHBondContact CD2-OG 3.19Å; L341-S363 VanDerWaalsContact CG-OG 3.25Å; L341-S363 WeakPolarHBondContact CG-OG 3.23Å; L345-S363 WeakPolarHBondContact CD1-OG 3.33Å; L359-S363 WeakPolarHBondContact O-CB 3.29Å; L359-S363 PolarHBondContact O-N 3.08Å; E361-S363 PolarHBondContact O-N 2.85Å; S363-L366 PolarHBondContact O-N 2.75Å; S363-M367 PolarHBondContact O-N 3.12Å
364	T	88.9	Confident	86.6	Confident	32 Å²	32	51 Å²	51	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-39.2	177.7	-58.3	0	0	0	0	111.5	K360 E361 I362 L366 M367 I368 L427	K360-T364 VanDerWaalsContact O-CB 3.31Å; K360-T364 WeakPolarHBondContact O-CB 3.3Å; K360-T364 PolarHBondContact O-N 3.18Å; K360-T364 PolarHBondContact O-OG1 3.37Å; E361-T364 WeakPolarHBondContact O-CB 3.17Å; E361-T364 PolarHBondContact O-N 3.28Å; E361-T364 VanDerWaalsContact O-N 3.11Å; I362-T364 VanDerWaalsContact C-N 3.33Å; I362-T364 PolarHBondContact O-N 3.34Å; T364-L366 PolarHBondContact O-N 3.3Å; T364-M367 PolarHBondContact O-N 3.17Å; T364-I368 HydrophobicContact CG2-CD1 4.04Å; T364-I368 VanDerWaalsContact O-CG1 3.28Å; T364-I368 WeakPolarHBondContact O-CG1 3.37Å; T364-I368 PolarHBondContact O-N 3.1Å; T364-L427 HydrophobicContact CG2-CD2 3.8Å
365	K	90.6	Very high	86.5	Confident	97 Å²	97	47.6 Å²	47.6	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-58.4	-45.4	172.3	-73.2	167.2	171.9	169.7	0	111.3	F276 E361 I362 I368 I369	F276-K365 HydrophobicContact CD2-CB 4.38Å; F276-K365 HydrophobicContact CE2-CB 4.08Å; E361-K365 PolarHBondContact O-N 2.86Å; E361-K365 WeakPolarHBondContact OE1-CE 3.41Å; E361-K365 IonicContact OE1-NZ 2.61Å; E361-K365 PolarHBondContact OE1-NZ 3.46Å; I362-K365 WeakPolarHBondContact O-CB 3.23Å; I362-K365 PolarHBondContact O-N 3.03Å; K365-I368 PolarHBondContact O-N 3.33Å; K365-I369 WeakPolarHBondContact O-CG1 3.47Å; K365-I369 PolarHBondContact O-N 3.14Å
366	L	91.5	Very high	86.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-48	175.3	-177.8	56.9	0	0	0	112.2	L273 F276 I313 L316 A317 M337 L341 I362 S363 T364 I368 I369 V370	L273-L366 HydrophobicContact CD2-CD1 3.75Å; F276-L366 HydrophobicContact CD1-CD1 4.5Å; F276-L366 HydrophobicContact CE1-CB 4.37Å; F276-L366 HydrophobicContact CE1-CD1 4.31Å; F276-L366 HydrophobicContact CE2-CB 4.23Å; F276-L366 HydrophobicContact CZ-CB 3.91Å; I313-L366 HydrophobicContact CG2-CD2 3.94Å; L316-L366 HydrophobicContact CB-CD2 4.44Å; A317-L366 HydrophobicContact CB-CD1 3.76Å; A317-L366 HydrophobicContact CB-CD2 4.3Å; M337-L366 HydrophobicContact CE-CD1 4.32Å; M337-L366 HydrophobicContact CE-CD2 4.13Å; M337-L366 HydrophobicContact CE-CG 4.32Å; L341-L366 HydrophobicContact CD2-CD2 4.27Å; I362-L366 PolarHBondContact O-N 3.01Å; I362-L366 VanDerWaalsContact O-N 3.1Å; S363-L366 PolarHBondContact O-N 2.75Å; T364-L366 PolarHBondContact O-N 3.3Å; L366-I368 VanDerWaalsContact C-N 3.29Å; L366-I368 PolarHBondContact O-N 3.1Å; L366-I369 WeakPolarHBondContact O-CB 3.26Å; L366-I369 PolarHBondContact O-N 3.01Å; L366-I369 VanDerWaalsContact O-N 3.1Å; L366-V370 PolarHBondContact O-N 3.26Å
367	M	87.3	Confident	86.1	Confident	70 Å²	70	45.3 Å²	45.3	35%	0.345	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-39.7	176	-72.8	-153.1	-60	0	0	112.7	T338 L341 S363 T364 I369 V370 S371	T338-M367 HydrophobicContact CG2-SD 4.04Å; L341-M367 HydrophobicContact CD2-CG 3.61Å; S363-M367 PolarHBondContact O-N 3.12Å; T364-M367 PolarHBondContact O-N 3.17Å; M367-I369 VanDerWaalsContact C-N 3.32Å; M367-I369 PolarHBondContact O-N 3.46Å; M367-V370 PolarHBondContact O-N 3.26Å; M367-S371 VanDerWaalsContact O-CB 3.26Å; M367-S371 WeakPolarHBondContact O-CB 3.01Å; M367-S371 PolarHBondContact O-N 3.38Å
368	I	87.9	Confident	85.2	Confident	98 Å²	98	43 Å²	43	50%	0.503	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-40.7	177.2	-72.1	164.7	0	0	0	111	T364 K365 L366 S371	T364-I368 HydrophobicContact CG2-CD1 4.04Å; T364-I368 VanDerWaalsContact O-CG1 3.28Å; T364-I368 WeakPolarHBondContact O-CG1 3.37Å; T364-I368 PolarHBondContact O-N 3.1Å; K365-I368 PolarHBondContact O-N 3.33Å; L366-I368 VanDerWaalsContact C-N 3.29Å; L366-I368 PolarHBondContact O-N 3.1Å; I368-S371 PolarHBondContact O-OG 2.74Å
369	I	89.2	Confident	84.4	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.118	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-50.3	178.6	-64.3	166.1	0	0	0	111.2	M269 K272 L273 F276 K365 L366 M367	M269-I369 HydrophobicContact CG-CG2 4.1Å; K272-I369 HydrophobicContact CB-CD1 4.21Å; K272-I369 HydrophobicContact CB-CG1 4.06Å; K272-I369 HydrophobicContact CB-CG2 3.79Å; K272-I369 HydrophobicContact CD-CG1 4.26Å; L273-I369 HydrophobicContact CD2-CG2 3.9Å; L273-I369 HydrophobicContact CG-CG2 3.93Å; F276-I369 HydrophobicContact CB-CD1 3.83Å; F276-I369 HydrophobicContact CD2-CD1 4.15Å; F276-I369 HydrophobicContact CG-CD1 4.13Å; K365-I369 WeakPolarHBondContact O-CG1 3.47Å; K365-I369 PolarHBondContact O-N 3.14Å; L366-I369 WeakPolarHBondContact O-CB 3.26Å; L366-I369 PolarHBondContact O-N 3.01Å; L366-I369 VanDerWaalsContact O-N 3.1Å; M367-I369 VanDerWaalsContact C-N 3.32Å; M367-I369 PolarHBondContact O-N 3.46Å
370	V	87.8	Confident	83.4	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-78.8	-20.4	-175.7	-59.1	0	0	0	0	114.1	F334 M337 L366 M367 R372 P373 A374	F334-V370 HydrophobicContact CD1-CB 3.81Å; F334-V370 HydrophobicContact CD1-CG1 4.25Å; F334-V370 HydrophobicContact CD1-CG2 4.39Å; F334-V370 HydrophobicContact CE1-CB 3.64Å; F334-V370 HydrophobicContact CE1-CG1 3.77Å; M337-V370 HydrophobicContact CE-CG1 4.31Å; M337-V370 HydrophobicContact SD-CG1 4.31Å; L366-V370 PolarHBondContact O-N 3.26Å; M367-V370 PolarHBondContact O-N 3.26Å; V370-R372 VanDerWaalsContact C-N 3.3Å; V370-R372 PolarHBondContact O-N 3.45Å; V370-R372 VanDerWaalsContact O-N 3.15Å; V370-P373 VanDerWaalsContact O-CD 3.28Å; V370-P373 WeakPolarHBondContact O-CD 3.26Å; V370-A374 WeakPolarHBondContact O-CB 3.32Å; V370-A374 PolarHBondContact O-N 2.76Å
371	S	83.4	Confident	82	Confident	64 Å²	64	45.2 Å²	45.2	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-52.4	-40.2	-173.9	66.2	0	0	0	0	115	M367 I368 R375	M367-S371 VanDerWaalsContact O-CB 3.26Å; M367-S371 WeakPolarHBondContact O-CB 3.01Å; M367-S371 PolarHBondContact O-N 3.38Å; I368-S371 PolarHBondContact O-OG 2.74Å; S371-R375 VanDerWaalsContact O-CB 3.29Å; S371-R375 WeakPolarHBondContact O-CB 3.3Å; S371-R375 PolarHBondContact O-N 3.21Å; S371-R375 VanDerWaalsContact O-N 3.09Å
372	R	81.6	Confident	80.5	Confident	158 Å²	158	42 Å²	42	60%	0.596	21%	0.205	S	C	*	.	H	α-helix	trans	-77.4	-48.7	-177	176.2	-177	-176.6	94.8	-1.3	112.2	V370 R375 L376	V370-R372 VanDerWaalsContact C-N 3.3Å; V370-R372 PolarHBondContact O-N 3.45Å; V370-R372 VanDerWaalsContact O-N 3.15Å; R372-R375 PolarHBondContact O-N 3.1Å; R372-L376 HydrophobicContact CG-CD1 4.25Å; R372-L376 VanDerWaalsContact O-CG 3.27Å; R372-L376 WeakPolarHBondContact O-CG 3.31Å; R372-L376 PolarHBondContact O-N 3.44Å; R372-L376 VanDerWaalsContact O-N 3.07Å
373	P	84.8	Confident	79.1	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-49.8	-53.7	166.2	-30.7	35.5	0	0	0	113.6	M269 F334 V370 R375 L376 L377	M269-P373 HydrophobicContact CB-CG 3.78Å; M269-P373 HydrophobicContact CG-CG 3.85Å; M269-P373 HydrophobicContact SD-CB 3.73Å; M269-P373 HydrophobicContact SD-CG 3.47Å; M269-P373 WeakPolarHBondContact SD-CG 3.38Å; F334-P373 HydrophobicContact CE2-CB 4.11Å; F334-P373 HydrophobicContact CZ-CB 3.98Å; V370-P373 VanDerWaalsContact O-CD 3.28Å; V370-P373 WeakPolarHBondContact O-CD 3.26Å; P373-R375 PolarHBondContact O-N 2.87Å; P373-L376 WeakPolarHBondContact O-CB 3.41Å; P373-L376 PolarHBondContact O-N 3.15Å; P373-L377 PolarHBondContact O-N 2.65Å
374	A	84	Confident	77.4	Confident	24 Å²	24	46.4 Å²	46.4	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-54.5	-49.7	178.8	0	0	0	0	0	111.8	F334 V370 L376 L377 E378	F334-A374 HydrophobicContact CB-CB 3.6Å; F334-A374 HydrophobicContact CD1-CB 4.31Å; F334-A374 HydrophobicContact CD2-CB 3.95Å; F334-A374 HydrophobicContact CG-CB 3.7Å; V370-A374 WeakPolarHBondContact O-CB 3.32Å; V370-A374 PolarHBondContact O-N 2.76Å; A374-L376 PolarHBondContact O-N 3.12Å; A374-L377 PolarHBondContact O-N 2.9Å; A374-E378 WeakPolarHBondContact O-CB 3.35Å; A374-E378 PolarHBondContact O-N 3.13Å
375	R	75.5	Confident	76.2	Confident	55 Å²	55	50.8 Å²	50.8	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-15.9	179.1	-167.7	64.5	-152.7	-177.5	11.2	114.2	R230 S371 R372 P373 E378	R230-R375 PolarHBondContact O-NH1 3.35Å; R230-R375 VanDerWaalsContact O-NH1 3.17Å; R230-R375 PolarHBondContact O-NH2 3.41Å; S371-R375 VanDerWaalsContact O-CB 3.29Å; S371-R375 WeakPolarHBondContact O-CB 3.3Å; S371-R375 PolarHBondContact O-N 3.21Å; S371-R375 VanDerWaalsContact O-N 3.09Å; R372-R375 PolarHBondContact O-N 3.1Å; P373-R375 PolarHBondContact O-N 2.87Å; R375-E378 WeakPolarHBondContact CD-OE2 3.43Å; R375-E378 VanDerWaalsContact CZ-CD 3.49Å; R375-E378 IonicContact CZ-OE1 3.76Å; R375-E378 IonicContact CZ-OE2 2.84Å; R375-E378 IonicContact NE-OE2 2.9Å; R375-E378 IonicContact NH1-OE1 2.71Å; R375-E378 PolarHBondContact NH1-OE1 3.2Å; R375-E378 IonicContact NH1-OE2 3.21Å; R375-E378 PolarHBondContact NH1-OE2 3.15Å; R375-E378 IonicContact NH2-OE1 3.75Å; R375-E378 PolarHBondContact NH2-OE1 2.95Å
376	L	81.2	Confident	74.9	Confident	21 Å²	21	51.2 Å²	51.2	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-82.7	-39.3	171.8	-74.5	169.3	0	0	0	111.9	Y258 F262 A265 R372 P373 A374 C379 F380	Y258-L376 HydrophobicContact CD2-CB 4.09Å; Y258-L376 HydrophobicContact CE2-CB 3.89Å; Y258-L376 HydrophobicContact CE2-CD1 4.01Å; F262-L376 HydrophobicContact CB-CD1 4.48Å; F262-L376 HydrophobicContact CD2-CD1 4.31Å; F262-L376 HydrophobicContact CD2-CD2 4.2Å; F262-L376 HydrophobicContact CE1-CD2 4.38Å; F262-L376 HydrophobicContact CE2-CD2 3.84Å; F262-L376 HydrophobicContact CG-CD1 4.25Å; F262-L376 HydrophobicContact CZ-CD2 3.95Å; A265-L376 HydrophobicContact CB-CD1 3.89Å; R372-L376 HydrophobicContact CG-CD1 4.25Å; R372-L376 VanDerWaalsContact O-CG 3.27Å; R372-L376 WeakPolarHBondContact O-CG 3.31Å; R372-L376 PolarHBondContact O-N 3.44Å; R372-L376 VanDerWaalsContact O-N 3.07Å; P373-L376 WeakPolarHBondContact O-CB 3.41Å; P373-L376 PolarHBondContact O-N 3.15Å; A374-L376 PolarHBondContact O-N 3.12Å; L376-C379 VanDerWaalsContact O-CB 3.29Å; L376-C379 WeakPolarHBondContact O-CB 3.21Å; L376-C379 PolarHBondContact O-N 3.09Å; L376-F380 VanDerWaalsContact O-CD2 3.24Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å
377	L	78.4	Confident	73.3	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-46.3	173.9	-74.6	160.1	0	0	0	111.5	Y258 F334 P373 A374 C379 F380 E381	Y258-L377 HydrophobicContact CD2-CD2 4.37Å; Y258-L377 HydrophobicContact CD2-CG 4.18Å; Y258-L377 HydrophobicContact CG-CD2 4.07Å; Y258-L377 HydrophobicContact CG-CG 4.3Å; F334-L377 HydrophobicContact CD2-CD1 3.79Å; F334-L377 HydrophobicContact CE2-CD1 3.59Å; P373-L377 PolarHBondContact O-N 2.65Å; A374-L377 PolarHBondContact O-N 2.9Å; L377-C379 PolarHBondContact O-N 3.17Å; L377-F380 PolarHBondContact O-N 2.85Å; L377-E381 PolarHBondContact O-N 3.2Å
378	E	67.8	Low	72.2	Confident	39 Å²	39	54.6 Å²	54.6	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.5	172.6	-158.4	-150.1	137	0	0	113.2	R230 A374 R375	R230-E378 VanDerWaalsContact C-OE1 3.24Å; R230-E378 WeakPolarHBondContact CA-OE1 3.4Å; R230-E378 VanDerWaalsContact CB-OE1 3.3Å; R230-E378 WeakPolarHBondContact CB-OE1 3.26Å; R230-E378 PolarHBondContact N-OE1 2.67Å; A374-E378 WeakPolarHBondContact O-CB 3.35Å; A374-E378 PolarHBondContact O-N 3.13Å; R375-E378 WeakPolarHBondContact CD-OE2 3.43Å; R375-E378 VanDerWaalsContact CZ-CD 3.49Å; R375-E378 IonicContact CZ-OE1 3.76Å; R375-E378 IonicContact CZ-OE2 2.84Å; R375-E378 IonicContact NE-OE2 2.9Å; R375-E378 IonicContact NH1-OE1 2.71Å; R375-E378 PolarHBondContact NH1-OE1 3.2Å; R375-E378 IonicContact NH1-OE2 3.21Å; R375-E378 PolarHBondContact NH1-OE2 3.15Å; R375-E378 IonicContact NH2-OE1 3.75Å; R375-E378 PolarHBondContact NH2-OE1 2.95Å
379	C	68.7	Low	71.6	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.149	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.7	174.6	-98.7	0	0	0	0	114.5	R234 L376 L377	R234-C379 PolarHBondContact NE-SG 3.36Å; L376-C379 VanDerWaalsContact O-CB 3.29Å; L376-C379 WeakPolarHBondContact O-CB 3.21Å; L376-C379 PolarHBondContact O-N 3.09Å; L377-C379 PolarHBondContact O-N 3.17Å
380	F	65.6	Low	70.5	Confident	62 Å²	62	56.8 Å²	56.8	27%	0.272	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-34.5	174.3	-70.5	-64.3	0	0	0	112.5	V257 F262 L376 L377 F382	V257-F380 HydrophobicContact CG1-CD1 3.84Å; V257-F380 HydrophobicContact CG1-CE1 3.39Å; V257-F380 HydrophobicContact CG1-CE2 4.34Å; V257-F380 HydrophobicContact CG1-CG 4.48Å; V257-F380 HydrophobicContact CG1-CZ 3.66Å; F262-F380 HydrophobicContact CD2-CE2 4.07Å; F262-F380 AromaticContact CD2-CZ 4Å; F262-F380 HydrophobicContact CD2-CZ 4Å; F262-F380 AromaticContact CE2-CE2 3.9Å; F262-F380 HydrophobicContact CE2-CE2 3.9Å; F262-F380 AromaticContact CE2-CZ 3.56Å; F262-F380 HydrophobicContact CE2-CZ 3.56Å; L376-F380 VanDerWaalsContact O-CD2 3.24Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L377-F380 PolarHBondContact O-N 2.85Å; F380-F382 VanDerWaalsContact C-N 3.29Å; F380-F382 PolarHBondContact O-N 3.41Å
381	E	61.7	Low	69.2	Low	75 Å²	75	58.7 Å²	58.7	35%	0.35	28%	0.279	S	S	.	.	S	Bend	trans	-81.6	-2.5	-178.4	-64.5	164.3	-155.4	0	0	113.9	S331 L377 D383	S331-E381 VanDerWaalsContact CB-OE1 3.28Å; S331-E381 WeakPolarHBondContact CB-OE1 3.24Å; S331-E381 VanDerWaalsContact CB-OE2 3.24Å; S331-E381 WeakPolarHBondContact CB-OE2 3.44Å; S331-E381 VanDerWaalsContact OG-CD 3.26Å; S331-E381 PolarHBondContact OG-OE1 3.28Å; S331-E381 PolarHBondContact OG-OE2 3.42Å; L377-E381 PolarHBondContact O-N 3.2Å; E381-D383 PolarHBondContact O-N 3.31Å
382	F	55.8	Low	68.7	Low	25 Å²	25	62.1 Å²	62.1	11%	0.11	29%	0.288	C	S	.	.			trans	-75.8	113.7	-176.9	171.9	-90.3	0	0	0	113.3	W231 R232 F380 P384 F387	W231-F382 HydrophobicContact CB-CD2 4.25Å; W231-F382 HydrophobicContact CB-CE2 3.77Å; W231-F382 HydrophobicContact CD2-CD2 4.39Å; W231-F382 HydrophobicContact CD2-CE2 4.31Å; W231-F382 AromaticContact CE3-CD2 3.54Å; W231-F382 HydrophobicContact CE3-CD2 3.54Å; W231-F382 AromaticContact CE3-CE2 3.6Å; W231-F382 HydrophobicContact CE3-CE2 3.6Å; W231-F382 HydrophobicContact CG-CE2 4.42Å; W231-F382 HydrophobicContact CZ3-CD2 4.31Å; R232-F382 VanDerWaalsContact N-CD2 3.31Å; R232-F382 WeakPolarHBondContact O-CD1 3.49Å; R232-F382 WeakPolarHBondContact O-CG 3.21Å; F380-F382 VanDerWaalsContact C-N 3.29Å; F380-F382 PolarHBondContact O-N 3.41Å; F382-P384 VanDerWaalsContact CE1-CA 3.49Å; F382-P384 HydrophobicContact CE1-CB 3.75Å; F382-P384 HydrophobicContact CE1-CG 4.24Å; F382-P384 VanDerWaalsContact CE1-N 3.31Å; F382-P384 HydrophobicContact CZ-CB 4.17Å; F382-F387 HydrophobicContact CE2-CB 4.06Å; F382-F387 HydrophobicContact CE2-CD1 4.47Å; F382-F387 HydrophobicContact CE2-CG 4.27Å; F382-F387 HydrophobicContact CZ-CB 4.12Å; F382-F387 HydrophobicContact CZ-CD1 4.25Å; F382-F387 HydrophobicContact CZ-CG 4.38Å
383	D	58.7	Low	68.3	Low	54 Å²	54	60.3 Å²	60.3	29%	0.289	29%	0.286	S	S	.	.			trans	-89.4	121	162.2	-168.2	-8	0	0	0	111.6	E381 K385 E386	E381-D383 PolarHBondContact O-N 3.31Å; D383-K385 VanDerWaalsContact C-N 3.26Å; D383-K385 PolarHBondContact O-N 3.01Å; D383-K385 WeakPolarHBondContact OD1-CB 3.45Å; D383-K385 WeakPolarHBondContact OD1-CG 3.47Å; D383-K385 PolarHBondContact OD1-N 3.26Å; D383-E386 HydrophobicContact CB-CG 4.39Å
384	P	54.1	Low	67.3	Low	45 Å²	45	60.6 Å²	60.6	29%	0.292	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-24.3	168.8	23.7	-33.6	0	0	0	115.3	F382 Y388	F382-P384 VanDerWaalsContact CE1-CA 3.49Å; F382-P384 HydrophobicContact CE1-CB 3.75Å; F382-P384 HydrophobicContact CE1-CG 4.24Å; F382-P384 VanDerWaalsContact CE1-N 3.31Å; F382-P384 HydrophobicContact CZ-CB 4.17Å; P384-Y388 WeakPolarHBondContact O-CD2 3.46Å; P384-Y388 PolarHBondContact O-N 3.06Å
385	K	63.8	Low	66.3	Low	125 Å²	125	64.4 Å²	64.4	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-69	-52.7	-176.7	-64.5	175.1	-174	166.7	0	112.2	D383 F387 Y388 Q389	D383-K385 VanDerWaalsContact C-N 3.26Å; D383-K385 PolarHBondContact O-N 3.01Å; D383-K385 WeakPolarHBondContact OD1-CB 3.45Å; D383-K385 WeakPolarHBondContact OD1-CG 3.47Å; D383-K385 PolarHBondContact OD1-N 3.26Å; K385-F387 PolarHBondContact O-N 3.35Å; K385-Y388 PolarHBondContact O-N 3.42Å; K385-Q389 PolarHBondContact O-N 3.07Å
386	E	64.5	Low	66.1	Low	105 Å²	105	65 Å²	65	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-40	178.1	-60.8	-168.6	147.4	0	0	110.4	W231 D383 Y388 Q389 M390	W231-E386 HydrophobicContact CH2-CB 4.31Å; W231-E386 WeakPolarHBondContact CH2-OE2 3.41Å; W231-E386 HydrophobicContact CZ3-CB 4.39Å; D383-E386 HydrophobicContact CB-CG 4.39Å; E386-Y388 PolarHBondContact O-N 3.01Å; E386-Q389 PolarHBondContact O-N 3.22Å; E386-M390 WeakPolarHBondContact O-CB 3.48Å; E386-M390 PolarHBondContact O-N 2.85Å
387	F	58.4	Low	65.4	Low	18 Å²	18	67.6 Å²	67.6	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-38.2	174	-177.2	-119.7	0	0	0	113.4	W231 F382 K385 L391 L416	W231-F387 HydrophobicContact CB-CB 4.34Å; W231-F387 HydrophobicContact CB-CD2 3.31Å; W231-F387 HydrophobicContact CB-CE2 3.67Å; W231-F387 HydrophobicContact CB-CG 3.84Å; W231-F387 HydrophobicContact CB-CZ 4.44Å; W231-F387 HydrophobicContact CD2-CB 4.25Å; W231-F387 HydrophobicContact CD2-CD2 4.32Å; W231-F387 HydrophobicContact CE3-CB 4.01Å; W231-F387 HydrophobicContact CG-CB 4.35Å; W231-F387 AromaticContact CG-CD2 3.6Å; W231-F387 HydrophobicContact CG-CD2 3.6Å; W231-F387 HydrophobicContact CG-CE2 4.27Å; W231-F387 HydrophobicContact CG-CG 4.23Å; F382-F387 HydrophobicContact CE2-CB 4.06Å; F382-F387 HydrophobicContact CE2-CD1 4.47Å; F382-F387 HydrophobicContact CE2-CG 4.27Å; F382-F387 HydrophobicContact CZ-CB 4.12Å; F382-F387 HydrophobicContact CZ-CD1 4.25Å; F382-F387 HydrophobicContact CZ-CG 4.38Å; K385-F387 PolarHBondContact O-N 3.35Å; F387-L391 HydrophobicContact CD1-CD1 4.12Å; F387-L391 HydrophobicContact CE1-CD1 3.57Å; F387-L391 HydrophobicContact CE1-CG 4.31Å; F387-L391 HydrophobicContact CE2-CD1 4.25Å; F387-L391 HydrophobicContact CE2-CD2 4.4Å; F387-L391 HydrophobicContact CE2-CG 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.65Å; F387-L391 HydrophobicContact CZ-CD2 4.26Å; F387-L391 HydrophobicContact CZ-CG 3.99Å; F387-L391 WeakPolarHBondContact O-CG 3.42Å; F387-L391 PolarHBondContact O-N 2.91Å; F387-L416 HydrophobicContact CE2-CD2 3.6Å; F387-L416 HydrophobicContact CZ-CD2 4.07Å
388	Y	63.9	Low	64.7	Low	123 Å²	123	69.1 Å²	69.1	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-39.2	173.8	-85.1	-59.4	0	0	0	112.4	M1 P384 K385 E386 L391 E392	M1-Y388 HydrophobicContact CE-CE1 4.43Å; M1-Y388 HydrophobicContact CE-CE2 3.65Å; M1-Y388 VanDerWaalsContact CE-OH 3.25Å; M1-Y388 WeakPolarHBondContact CE-OH 3.19Å; P384-Y388 WeakPolarHBondContact O-CD2 3.46Å; P384-Y388 PolarHBondContact O-N 3.06Å; K385-Y388 PolarHBondContact O-N 3.42Å; E386-Y388 PolarHBondContact O-N 3.01Å; Y388-L391 PolarHBondContact O-N 3.08Å; Y388-E392 WeakPolarHBondContact O-CB 3.46Å; Y388-E392 PolarHBondContact O-N 3.37Å
389	Q	75.4	Confident	64.5	Low	117 Å²	117	75.7 Å²	75.7	55%	0.547	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-45.2	174.6	-70.9	171.6	-32.1	0	0	111.1	K385 E386 L391 E392 E393	K385-Q389 PolarHBondContact O-N 3.07Å; E386-Q389 PolarHBondContact O-N 3.22Å; Q389-L391 VanDerWaalsContact C-N 3.29Å; Q389-L391 PolarHBondContact O-N 2.85Å; Q389-E392 PolarHBondContact O-N 3.38Å; Q389-E392 VanDerWaalsContact O-N 3.08Å; Q389-E393 WeakPolarHBondContact O-CG 3.25Å; Q389-E393 PolarHBondContact O-N 3.38Å
390	M	64.3	Low	64.5	Low	50 Å²	50	82 Å²	82	25%	0.246	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-36.1	174.1	-173.1	-173.3	-62.5	0	0	112.5	E386 V394	E386-M390 WeakPolarHBondContact O-CB 3.48Å; E386-M390 PolarHBondContact O-N 2.85Å; M390-V394 WeakPolarHBondContact O-CB 2.98Å; M390-V394 WeakPolarHBondContact O-CG2 3.34Å; M390-V394 PolarHBondContact O-N 3.22Å
391	L	62.4	Low	64.3	Low	47 Å²	47	81.8 Å²	81.8	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-70.3	-34.3	173.3	-76.8	177.1	0	0	0	112.8	F387 Y388 Q389 V394 E395	F387-L391 HydrophobicContact CD1-CD1 4.12Å; F387-L391 HydrophobicContact CE1-CD1 3.57Å; F387-L391 HydrophobicContact CE1-CG 4.31Å; F387-L391 HydrophobicContact CE2-CD1 4.25Å; F387-L391 HydrophobicContact CE2-CD2 4.4Å; F387-L391 HydrophobicContact CE2-CG 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.65Å; F387-L391 HydrophobicContact CZ-CD2 4.26Å; F387-L391 HydrophobicContact CZ-CG 3.99Å; F387-L391 WeakPolarHBondContact O-CG 3.42Å; F387-L391 PolarHBondContact O-N 2.91Å; Y388-L391 PolarHBondContact O-N 3.08Å; Q389-L391 VanDerWaalsContact C-N 3.29Å; Q389-L391 PolarHBondContact O-N 2.85Å; L391-V394 PolarHBondContact O-N 2.87Å; L391-E395 PolarHBondContact O-N 3.39Å
392	E	72.5	Confident	64.1	Low	135 Å²	135	84 Å²	84	63%	0.631	39%	0.392	S	S	*	.	H	α-helix	trans	-70.1	-42.6	176.2	-167.8	163.8	-156.3	0	0	111.1	Y388 Q389 V394 E395 T396	Y388-E392 WeakPolarHBondContact O-CB 3.46Å; Y388-E392 PolarHBondContact O-N 3.37Å; Q389-E392 PolarHBondContact O-N 3.38Å; Q389-E392 VanDerWaalsContact O-N 3.08Å; E392-V394 VanDerWaalsContact C-N 3.29Å; E392-V394 PolarHBondContact O-N 2.81Å; E392-E395 PolarHBondContact O-N 2.86Å; E392-T396 PolarHBondContact O-N 3.19Å; E392-T396 PolarHBondContact O-OG1 2.85Å
393	E	72.9	Confident	64.2	Low	121 Å²	121	90.3 Å²	90.3	57%	0.565	43%	0.427	S	S	*	.	H	α-helix	trans	-58.8	-37.6	168.4	-71.9	176.3	-171.8	0	0	112.8	Q389 T396 F397	Q389-E393 WeakPolarHBondContact O-CG 3.25Å; Q389-E393 PolarHBondContact O-N 3.38Å; E393-T396 WeakPolarHBondContact CA-OG1 3.46Å; E393-T396 PolarHBondContact O-OG1 3.22Å; E393-T396 VanDerWaalsContact O-OG1 3.07Å; E393-F397 VanDerWaalsContact O-CB 3.23Å; E393-F397 WeakPolarHBondContact O-CB 3.39Å; E393-F397 PolarHBondContact O-N 3.11Å
394	V	64.2	Low	64.2	Low	9 Å²	9	90 Å²	90	6%	0.055	43%	0.425	C	S	.	.	H	α-helix	trans	-72.3	-37.9	176.2	162.1	0	0	0	0	111	M390 L391 E392 I398 Y411 V412 K415	M390-V394 WeakPolarHBondContact O-CB 2.98Å; M390-V394 WeakPolarHBondContact O-CG2 3.34Å; M390-V394 PolarHBondContact O-N 3.22Å; L391-V394 PolarHBondContact O-N 2.87Å; E392-V394 VanDerWaalsContact C-N 3.29Å; E392-V394 PolarHBondContact O-N 2.81Å; V394-I398 HydrophobicContact CG1-CD1 3.66Å; V394-I398 WeakPolarHBondContact O-CB 3.46Å; V394-I398 WeakPolarHBondContact O-CD1 3.49Å; V394-I398 WeakPolarHBondContact O-CG1 3.2Å; V394-I398 PolarHBondContact O-N 3.29Å; V394-Y411 HydrophobicContact CB-CE1 4.39Å; V394-Y411 HydrophobicContact CG1-CD1 4.26Å; V394-Y411 HydrophobicContact CG1-CE1 3.99Å; V394-Y411 HydrophobicContact CG2-CE1 3.96Å; V394-V412 HydrophobicContact CG1-CG2 4.17Å; V394-K415 HydrophobicContact CG2-CD 4.28Å; V394-K415 HydrophobicContact CG2-CG 4.19Å
395	E	63.1	Low	64.2	Low	103 Å²	103	93 Å²	93	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-67.9	-43	175.1	-166.6	-175.7	142.5	0	0	111.8	L391 E392 I398 R399	L391-E395 PolarHBondContact O-N 3.39Å; E392-E395 PolarHBondContact O-N 2.86Å; E395-I398 PolarHBondContact O-N 3.05Å; E395-R399 HydrophobicContact CG-CG 4.47Å; E395-R399 WeakPolarHBondContact O-CB 3.31Å; E395-R399 VanDerWaalsContact O-CG 3.26Å; E395-R399 WeakPolarHBondContact O-CG 3.42Å; E395-R399 PolarHBondContact O-N 3.35Å; E395-R399 IonicContact OE1-CZ 2.69Å; E395-R399 IonicContact OE1-NE 2.72Å; E395-R399 PolarHBondContact OE1-NE 3.4Å; E395-R399 IonicContact OE1-NH2 3.18Å; E395-R399 PolarHBondContact OE1-NH2 3.49Å
396	T	70.6	Confident	63.7	Low	67 Å²	67	96 Å²	96	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-46	175.7	53.2	0	0	0	0	111.2	E392 E393 I398 R399 E400	E392-T396 PolarHBondContact O-N 3.19Å; E392-T396 PolarHBondContact O-OG1 2.85Å; E393-T396 WeakPolarHBondContact CA-OG1 3.46Å; E393-T396 PolarHBondContact O-OG1 3.22Å; E393-T396 VanDerWaalsContact O-OG1 3.07Å; T396-I398 VanDerWaalsContact C-N 3.31Å; T396-I398 PolarHBondContact O-N 2.79Å; T396-R399 WeakPolarHBondContact O-CB 3.29Å; T396-R399 PolarHBondContact O-N 2.95Å; T396-R399 VanDerWaalsContact O-N 3.1Å; T396-E400 WeakPolarHBondContact O-CG 3.2Å; T396-E400 PolarHBondContact O-N 2.93Å
397	F	66.6	Low	63.5	Low	77 Å²	77	92.6 Å²	92.6	34%	0.338	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.3	-173.3	-100.1	0	0	0	113	E393 N401 L404 Y411	E393-F397 VanDerWaalsContact O-CB 3.23Å; E393-F397 WeakPolarHBondContact O-CB 3.39Å; E393-F397 PolarHBondContact O-N 3.11Å; F397-N401 PolarHBondContact O-N 3.22Å; F397-N401 PolarHBondContact O-ND2 2.84Å; F397-L404 HydrophobicContact CE1-CD2 3.89Å; F397-Y411 AromaticContact CD1-CE1 3.72Å; F397-Y411 HydrophobicContact CD1-CE1 3.72Å; F397-Y411 HydrophobicContact CD1-CE2 4.23Å; F397-Y411 AromaticContact CD1-CZ 3.5Å; F397-Y411 VanDerWaalsContact CD1-CZ 3.5Å; F397-Y411 VanDerWaalsContact CD1-OH 3.31Å; F397-Y411 WeakPolarHBondContact CD1-OH 3.45Å; F397-Y411 HydrophobicContact CE1-CE1 4.24Å; F397-Y411 AromaticContact CE1-CE2 3.96Å; F397-Y411 HydrophobicContact CE1-CE2 3.96Å; F397-Y411 AromaticContact CE1-CZ 3.7Å
398	I	63.7	Low	63.4	Low	32 Å²	32	92.2 Å²	92.2	16%	0.164	44%	0.436	C	S	.	.	H	α-helix	trans	-71.9	-32.5	175.8	-69.5	164.5	0	0	0	112	V394 E395 T396 V408 Y411	V394-I398 HydrophobicContact CG1-CD1 3.66Å; V394-I398 WeakPolarHBondContact O-CB 3.46Å; V394-I398 WeakPolarHBondContact O-CD1 3.49Å; V394-I398 WeakPolarHBondContact O-CG1 3.2Å; V394-I398 PolarHBondContact O-N 3.29Å; E395-I398 PolarHBondContact O-N 3.05Å; T396-I398 VanDerWaalsContact C-N 3.31Å; T396-I398 PolarHBondContact O-N 2.79Å; I398-V408 HydrophobicContact CD1-CB 4.44Å; I398-V408 HydrophobicContact CD1-CG1 3.88Å; I398-V408 HydrophobicContact CD1-CG2 3.95Å; I398-V408 HydrophobicContact CG1-CG2 4.14Å; I398-V408 HydrophobicContact CG2-CG2 3.73Å; I398-Y411 HydrophobicContact CD1-CD1 4.27Å; I398-Y411 HydrophobicContact CG1-CD1 4.37Å
399	R	64.6	Low	62.8	Low	178 Å²	178	88.5 Å²	88.5	67%	0.672	43%	0.427	S	S	*	.	H	α-helix	trans	-70.2	-33.3	174.2	-76.9	167.7	172.2	-107.2	6	113	E395 T396	E395-R399 HydrophobicContact CG-CG 4.47Å; E395-R399 WeakPolarHBondContact O-CB 3.31Å; E395-R399 VanDerWaalsContact O-CG 3.26Å; E395-R399 WeakPolarHBondContact O-CG 3.42Å; E395-R399 PolarHBondContact O-N 3.35Å; E395-R399 IonicContact OE1-CZ 2.69Å; E395-R399 IonicContact OE1-NE 2.72Å; E395-R399 PolarHBondContact OE1-NE 3.4Å; E395-R399 IonicContact OE1-NH2 3.18Å; E395-R399 PolarHBondContact OE1-NH2 3.49Å; T396-R399 WeakPolarHBondContact O-CB 3.29Å; T396-R399 PolarHBondContact O-N 2.95Å; T396-R399 VanDerWaalsContact O-N 3.1Å
400	E	67.1	Low	61.7	Low	154 Å²	154	89.4 Å²	89.4	72%	0.72	43%	0.431	S	S	*	.	H	α-helix	trans	-81.8	-21.3	-179.2	-71.5	174.8	179.9	0	0	112.7	T396	T396-E400 WeakPolarHBondContact O-CG 3.2Å; T396-E400 PolarHBondContact O-N 2.93Å
401	N	62.2	Low	61.4	Low	57 Å²	57	89.1 Å²	89.1	31%	0.305	43%	0.428	S	S	.	.			trans	-116.3	82.1	-179.3	-63.6	-92.6	0	0	0	111.5	F397 D403 L404	F397-N401 PolarHBondContact O-N 3.22Å; F397-N401 PolarHBondContact O-ND2 2.84Å; N401-D403 PolarHBondContact O-N 3.47Å; N401-D403 VanDerWaalsContact O-N 3.1Å; N401-L404 HydrophobicContact CB-CB 4.37Å; N401-L404 HydrophobicContact CB-CD1 3.91Å; N401-L404 PolarHBondContact O-N 3.35Å
402	E	57.4	Low	61	Low	123 Å²	123	87.8 Å²	87.8	58%	0.575	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-46.4	-39.3	176.6	-84.4	-77.7	129.6	0	0	113.5	L404 K405	E402-L404 VanDerWaalsContact C-N 3.3Å; E402-L404 PolarHBondContact O-N 2.88Å; E402-K405 WeakPolarHBondContact O-CD 3.23Å; E402-K405 VanDerWaalsContact O-CG 3.26Å; E402-K405 WeakPolarHBondContact O-CG 3.31Å; E402-K405 PolarHBondContact O-N 3.2Å; E402-K405 WeakPolarHBondContact OE1-CE 3.35Å; E402-K405 IonicContact OE1-NZ 2.66Å; E402-K405 PolarHBondContact OE1-NZ 3.18Å; E402-K405 IonicContact OE2-NZ 2.63Å; E402-K405 PolarHBondContact OE2-NZ 2.89Å
403	D	58.7	Low	60.3	Low	156 Å²	156	84.5 Å²	84.5	83%	0.834	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.9	-176.2	-60.1	-46.3	0	0	0	113.8	N401 K405	N401-D403 PolarHBondContact O-N 3.47Å; N401-D403 VanDerWaalsContact O-N 3.1Å; D403-K405 VanDerWaalsContact C-N 3.26Å; D403-K405 PolarHBondContact O-N 2.79Å
404	L	57.9	Low	59.5	Low	48 Å²	48	86.1 Å²	86.1	25%	0.251	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-80.1	-1.5	-177.5	-93.5	84	0	0	0	114.1	F397 N401 E402 Q406 S407 V408	F397-L404 HydrophobicContact CE1-CD2 3.89Å; N401-L404 HydrophobicContact CB-CB 4.37Å; N401-L404 HydrophobicContact CB-CD1 3.91Å; N401-L404 PolarHBondContact O-N 3.35Å; E402-L404 VanDerWaalsContact C-N 3.3Å; E402-L404 PolarHBondContact O-N 2.88Å; L404-Q406 PolarHBondContact O-N 2.88Å; L404-Q406 VanDerWaalsContact O-N 3.09Å; L404-S407 WeakPolarHBondContact CG-OG 3.19Å; L404-S407 CarbonylContact O-C 3.48Å; L404-S407 WeakPolarHBondContact O-CA 3.49Å; L404-S407 PolarHBondContact O-N 3.31Å; L404-S407 PolarHBondContact O-OG 3.21Å; L404-V408 PolarHBondContact O-N 3.46Å; L404-V408 VanDerWaalsContact O-N 3.09Å
405	K	53.7	Low	59	Low	108 Å²	108	89.3 Å²	89.3	47%	0.47	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-52.8	-32.9	-177.2	-78	173	-177.4	175.2	0	114.4	E402 D403	E402-K405 WeakPolarHBondContact O-CD 3.23Å; E402-K405 VanDerWaalsContact O-CG 3.26Å; E402-K405 WeakPolarHBondContact O-CG 3.31Å; E402-K405 PolarHBondContact O-N 3.2Å; E402-K405 WeakPolarHBondContact OE1-CE 3.35Å; E402-K405 IonicContact OE1-NZ 2.66Å; E402-K405 PolarHBondContact OE1-NZ 3.18Å; E402-K405 IonicContact OE2-NZ 2.63Å; E402-K405 PolarHBondContact OE2-NZ 2.89Å; D403-K405 VanDerWaalsContact C-N 3.26Å; D403-K405 PolarHBondContact O-N 2.79Å
406	Q	52.8	Low	58.4	Low	188 Å²	188	86 Å²	86	88%	0.879	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-80.4	-27	176.8	-64.8	-175.7	0.2	0	0	113.2	L404	L404-Q406 PolarHBondContact O-N 2.88Å; L404-Q406 VanDerWaalsContact O-N 3.09Å
407	S	61.4	Low	57.5	Low	33 Å²	33	84.7 Å²	84.7	23%	0.231	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.7	178.5	60.5	0	0	0	0	114.7	L404 P409 Q410 Y411	L404-S407 WeakPolarHBondContact CG-OG 3.19Å; L404-S407 CarbonylContact O-C 3.48Å; L404-S407 WeakPolarHBondContact O-CA 3.49Å; L404-S407 PolarHBondContact O-N 3.31Å; L404-S407 PolarHBondContact O-OG 3.21Å; S407-P409 VanDerWaalsContact C-CD 3.45Å; S407-P409 VanDerWaalsContact C-N 3.32Å; S407-Q410 WeakPolarHBondContact O-CA 3.38Å; S407-Q410 WeakPolarHBondContact O-CB 3.46Å; S407-Q410 PolarHBondContact O-N 2.91Å; S407-Y411 PolarHBondContact O-N 3.49Å
408	V	54.9	Low	56.4	Low	10 Å²	10	82.9 Å²	82.9	6%	0.061	41%	0.407	C	S	.	.	H	α-helix	trans	-47.2	-46.2	180	171.2	0	0	0	0	113.1	I398 L404 Q410 Y411 V412	I398-V408 HydrophobicContact CD1-CB 4.44Å; I398-V408 HydrophobicContact CD1-CG1 3.88Å; I398-V408 HydrophobicContact CD1-CG2 3.95Å; I398-V408 HydrophobicContact CG1-CG2 4.14Å; I398-V408 HydrophobicContact CG2-CG2 3.73Å; L404-V408 PolarHBondContact O-N 3.46Å; L404-V408 VanDerWaalsContact O-N 3.09Å; V408-Q410 VanDerWaalsContact C-N 3.34Å; V408-Q410 PolarHBondContact O-N 3.09Å; V408-Y411 PolarHBondContact O-N 2.78Å; V408-V412 HydrophobicContact CG1-CG2 4.27Å; V408-V412 WeakPolarHBondContact O-CB 3.41Å; V408-V412 VanDerWaalsContact O-CG2 3.26Å; V408-V412 WeakPolarHBondContact O-CG2 3.37Å; V408-V412 PolarHBondContact O-N 3.09Å
409	P	51.3	Low	55.5	Low	45 Å²	45	91.5 Å²	91.5	29%	0.292	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-40.4	177.4	-22.3	34.8	0	0	0	112.7	S407 L413	S407-P409 VanDerWaalsContact C-CD 3.45Å; S407-P409 VanDerWaalsContact C-N 3.32Å; P409-L413 VanDerWaalsContact O-CB 3.26Å; P409-L413 WeakPolarHBondContact O-CB 3.3Å; P409-L413 WeakPolarHBondContact O-CD1 3.41Å; P409-L413 WeakPolarHBondContact O-CG 3.38Å; P409-L413 PolarHBondContact O-N 3.4Å
410	Q	54.1	Low	54.1	Low	136 Å²	136	87.6 Å²	87.6	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-71.6	-40.7	-179.4	-66.5	163.7	-28.6	0	0	111.7	S407 V408 L413 H414	S407-Q410 WeakPolarHBondContact O-CA 3.38Å; S407-Q410 WeakPolarHBondContact O-CB 3.46Å; S407-Q410 PolarHBondContact O-N 2.91Å; V408-Q410 VanDerWaalsContact C-N 3.34Å; V408-Q410 PolarHBondContact O-N 3.09Å; Q410-L413 PolarHBondContact O-N 3.2Å; Q410-H414 VanDerWaalsContact O-CB 3.27Å; Q410-H414 WeakPolarHBondContact O-CB 3.29Å; Q410-H414 PolarHBondContact O-N 2.92Å
411	Y	56.2	Low	52.7	Low	45 Å²	45	84.6 Å²	84.6	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-64	-42.8	174.8	-178.9	-112.2	0	0	0	111.7	V394 F397 I398 S407 V408 H414 K415	V394-Y411 HydrophobicContact CB-CE1 4.39Å; V394-Y411 HydrophobicContact CG1-CD1 4.26Å; V394-Y411 HydrophobicContact CG1-CE1 3.99Å; V394-Y411 HydrophobicContact CG2-CE1 3.96Å; F397-Y411 AromaticContact CD1-CE1 3.72Å; F397-Y411 HydrophobicContact CD1-CE1 3.72Å; F397-Y411 HydrophobicContact CD1-CE2 4.23Å; F397-Y411 AromaticContact CD1-CZ 3.5Å; F397-Y411 VanDerWaalsContact CD1-CZ 3.5Å; F397-Y411 VanDerWaalsContact CD1-OH 3.31Å; F397-Y411 WeakPolarHBondContact CD1-OH 3.45Å; F397-Y411 HydrophobicContact CE1-CE1 4.24Å; F397-Y411 AromaticContact CE1-CE2 3.96Å; F397-Y411 HydrophobicContact CE1-CE2 3.96Å; F397-Y411 AromaticContact CE1-CZ 3.7Å; I398-Y411 HydrophobicContact CD1-CD1 4.27Å; I398-Y411 HydrophobicContact CG1-CD1 4.37Å; S407-Y411 PolarHBondContact O-N 3.49Å; V408-Y411 PolarHBondContact O-N 2.78Å; Y411-H414 PolarHBondContact O-N 3.12Å; Y411-K415 HydrophobicContact CE1-CG 4.35Å; Y411-K415 HydrophobicContact CE2-CG 4.27Å; Y411-K415 WeakPolarHBondContact O-CB 3.26Å; Y411-K415 WeakPolarHBondContact O-CG 3.37Å; Y411-K415 PolarHBondContact O-N 3.3Å; Y411-K415 VanDerWaalsContact OH-CE 3.23Å; Y411-K415 WeakPolarHBondContact OH-CE 3.46Å
412	V	55.7	Low	51.5	Low	18 Å²	18	88.8 Å²	88.8	11%	0.109	45%	0.446	C	S	.	.	H	α-helix	trans	-67	-43.6	174.7	170	0	0	0	0	111.1	V394 V408 H414 K415 L416	V394-V412 HydrophobicContact CG1-CG2 4.17Å; V408-V412 HydrophobicContact CG1-CG2 4.27Å; V408-V412 WeakPolarHBondContact O-CB 3.41Å; V408-V412 VanDerWaalsContact O-CG2 3.26Å; V408-V412 WeakPolarHBondContact O-CG2 3.37Å; V408-V412 PolarHBondContact O-N 3.09Å; V412-H414 VanDerWaalsContact C-N 3.34Å; V412-H414 PolarHBondContact O-N 2.83Å; V412-K415 PolarHBondContact O-N 2.76Å; V412-L416 HydrophobicContact CG1-CD1 3.57Å; V412-L416 HydrophobicContact CG1-CG 4.18Å; V412-L416 VanDerWaalsContact O-CB 3.25Å; V412-L416 WeakPolarHBondContact O-CB 3.37Å; V412-L416 WeakPolarHBondContact O-CG 3.38Å; V412-L416 PolarHBondContact O-N 3.47Å
413	L	57.7	Low	50.5	Low	66 Å²	66	87.4 Å²	87.4	35%	0.346	45%	0.45	S	S	.	.	H	α-helix	trans	-57.7	-46.1	173.5	-77.9	167.7	0	0	0	111.5	P409 Q410 L416 G417 L418	P409-L413 VanDerWaalsContact O-CB 3.26Å; P409-L413 WeakPolarHBondContact O-CB 3.3Å; P409-L413 WeakPolarHBondContact O-CD1 3.41Å; P409-L413 WeakPolarHBondContact O-CG 3.38Å; P409-L413 PolarHBondContact O-N 3.4Å; Q410-L413 PolarHBondContact O-N 3.2Å; L413-L416 PolarHBondContact O-N 2.84Å; L413-G417 PolarHBondContact O-N 2.82Å; L413-L418 HydrophobicContact CB-CB 4.32Å; L413-L418 HydrophobicContact CD2-CB 3.51Å; L413-L418 HydrophobicContact CD2-CD1 3.87Å; L413-L418 HydrophobicContact CD2-CG 4.34Å; L413-L418 WeakPolarHBondContact O-CA 3.4Å; L413-L418 PolarHBondContact O-N 2.93Å
414	H	56.3	Low	49.7	Very low	155 Å²	155	84.1 Å²	84.1	72%	0.718	43%	0.432	S	S	*	.	H	α-helix	trans	-61	-50.3	176.3	-179.8	-92	0	0	0	112.2	Q410 Y411 V412 L416 G417	Q410-H414 VanDerWaalsContact O-CB 3.27Å; Q410-H414 WeakPolarHBondContact O-CB 3.29Å; Q410-H414 PolarHBondContact O-N 2.92Å; Y411-H414 PolarHBondContact O-N 3.12Å; V412-H414 VanDerWaalsContact C-N 3.34Å; V412-H414 PolarHBondContact O-N 2.83Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å; H414-G417 PolarHBondContact O-N 2.79Å
415	K	53.3	Low	48.6	Very low	77 Å²	77	87 Å²	87	34%	0.335	45%	0.447	S	S	.	.	H	α-helix	trans	-62.4	-27.6	176.2	-80.5	-82.6	-169.3	164	0	113.6	V394 Y411 V412	V394-K415 HydrophobicContact CG2-CD 4.28Å; V394-K415 HydrophobicContact CG2-CG 4.19Å; Y411-K415 HydrophobicContact CE1-CG 4.35Å; Y411-K415 HydrophobicContact CE2-CG 4.27Å; Y411-K415 WeakPolarHBondContact O-CB 3.26Å; Y411-K415 WeakPolarHBondContact O-CG 3.37Å; Y411-K415 PolarHBondContact O-N 3.3Å; Y411-K415 VanDerWaalsContact OH-CE 3.23Å; Y411-K415 WeakPolarHBondContact OH-CE 3.46Å; V412-K415 PolarHBondContact O-N 2.76Å
416	L	50.7	Low	47.8	Very low	32 Å²	32	85.8 Å²	85.8	17%	0.168	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.7	178	-68.8	175.4	0	0	0	114.4	F387 V412 L413 H414 L418	F387-L416 HydrophobicContact CE2-CD2 3.6Å; F387-L416 HydrophobicContact CZ-CD2 4.07Å; V412-L416 HydrophobicContact CG1-CD1 3.57Å; V412-L416 HydrophobicContact CG1-CG 4.18Å; V412-L416 VanDerWaalsContact O-CB 3.25Å; V412-L416 WeakPolarHBondContact O-CB 3.37Å; V412-L416 WeakPolarHBondContact O-CG 3.38Å; V412-L416 PolarHBondContact O-N 3.47Å; L413-L416 PolarHBondContact O-N 2.84Å; H414-L416 VanDerWaalsContact C-N 3.26Å; H414-L416 PolarHBondContact O-N 2.88Å; L416-L418 HydrophobicContact CB-CD1 3.83Å; L416-L418 HydrophobicContact CB-CG 3.87Å; L416-L418 HydrophobicContact CD1-CD1 3.98Å; L416-L418 PolarHBondContact O-N 2.97Å
417	G	50.9	Low	47.2	Very low	40 Å²	40	81.9 Å²	81.9	41%	0.412	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	23.9	-175.7	0	0	0	0	0	113.8	L413 H414	L413-G417 PolarHBondContact O-N 2.82Å; H414-G417 PolarHBondContact O-N 2.79Å
418	L	43.8	Very low	46	Very low	39 Å²	39	87.9 Å²	87.9	20%	0.204	47%	0.465	C	S	.	.			trans	-101	78.9	-177.6	-61.7	175.8	0	0	0	110.5	R230 L413 L416	R230-L418 VanDerWaalsContact NE-CD2 3.28Å; R230-L418 VanDerWaalsContact NH2-CD2 3.3Å; L413-L418 HydrophobicContact CB-CB 4.32Å; L413-L418 HydrophobicContact CD2-CB 3.51Å; L413-L418 HydrophobicContact CD2-CD1 3.87Å; L413-L418 HydrophobicContact CD2-CG 4.34Å; L413-L418 WeakPolarHBondContact O-CA 3.4Å; L413-L418 PolarHBondContact O-N 2.93Å; L416-L418 HydrophobicContact CB-CD1 3.83Å; L416-L418 HydrophobicContact CB-CG 3.87Å; L416-L418 HydrophobicContact CD1-CD1 3.98Å; L416-L418 PolarHBondContact O-N 2.97Å
419	R	44.4	Very low	45.1	Very low	213 Å²	213	91.7 Å²	91.7	80%	0.804	49%	0.485	S	S	*	.			trans	-59.9	144.3	166.9	-64.6	-173.6	-174	168.8	5.2	109.9
420	P	35.5	Very low	44.4	Very low	96 Å²	96	96.3 Å²	96.3	62%	0.623	51%	0.506	S	S	*	.			trans	-51.5	145.1	166	-26	35.8	0	0	0	111.3	D422	P420-D422 WeakPolarHBondContact CB-OD2 3.35Å
421	L	38.8	Very low	43.5	Very low	91 Å²	91	97.3 Å²	97.3	48%	0.476	52%	0.516	S	S	.	.			trans	-99.9	18.4	-164.7	-142.7	79.5	0	0	0	113.7	S423 I424	L421-S423 PolarHBondContact O-N 2.95Å; L421-I424 HydrophobicContact CD1-CD1 4.12Å; L421-I424 HydrophobicContact CD2-CB 4.23Å; L421-I424 HydrophobicContact CD2-CD1 4.46Å; L421-I424 HydrophobicContact CD2-CG2 4.41Å; L421-I424 HydrophobicContact CG-CB 4.17Å; L421-I424 HydrophobicContact CG-CD1 4.07Å; L421-I424 HydrophobicContact CG-CG1 4.4Å; L421-I424 PolarHBondContact O-N 3.26Å
422	D	35.3	Very low	42.6	Very low	145 Å²	145	105.3 Å²	105.3	78%	0.775	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	17	-161.3	-41.8	-23.9	0	0	0	115.3	P420	P420-D422 WeakPolarHBondContact CB-OD2 3.35Å
423	S	38	Very low	41.5	Very low	94 Å²	94	112.8 Å²	112.8	66%	0.657	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	9.9	178.3	-171.8	0	0	0	0	113.9	L421	L421-S423 PolarHBondContact O-N 2.95Å
424	I	41.6	Very low	40.3	Very low	88 Å²	88	117.4 Å²	117.4	45%	0.451	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.9	-29.3	177.9	-65.6	-177.6	0	0	0	112.6	L421 A426 L427	L421-I424 HydrophobicContact CD1-CD1 4.12Å; L421-I424 HydrophobicContact CD2-CB 4.23Å; L421-I424 HydrophobicContact CD2-CD1 4.46Å; L421-I424 HydrophobicContact CD2-CG2 4.41Å; L421-I424 HydrophobicContact CG-CB 4.17Å; L421-I424 HydrophobicContact CG-CD1 4.07Å; L421-I424 HydrophobicContact CG-CG1 4.4Å; L421-I424 PolarHBondContact O-N 3.26Å; I424-A426 PolarHBondContact O-N 2.99Å; I424-L427 WeakPolarHBondContact O-CB 3.27Å; I424-L427 PolarHBondContact O-N 3.41Å
425	D	34.8	Very low	39.2	Very low	107 Å²	107	117.6 Å²	117.6	57%	0.572	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-66.2	-14	-171.5	-66.6	-26.7	0	0	0	114.8	L427	D425-L427 PolarHBondContact O-N 3.46Å
426	A	36.9	Very low	38.3	Very low	84 Å²	84	122.5 Å²	122.5	69%	0.694	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-69.5	-12.1	172.2	0	0	0	0	0	114.2	I424	I424-A426 PolarHBondContact O-N 2.99Å
427	L	39.3	Very low	37.7	Very low	105 Å²	105	128.8 Å²	128.8	55%	0.55	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-95.4	-6.9	-169.5	-136	75.6	0	0	0	115.2	T364 I424 D425	T364-L427 HydrophobicContact CG2-CD2 3.8Å; I424-L427 WeakPolarHBondContact O-CB 3.27Å; I424-L427 PolarHBondContact O-N 3.41Å; D425-L427 PolarHBondContact O-N 3.46Å
428	F	36.2	Very low	36.9	Very low	160 Å²	160	134.7 Å²	134.7	70%	0.702	68%	0.682	S	S	*	*	S	Bend	trans	-94.9	-4.1	-178.3	-77.9	-76	0	0	0	114.6
429	D	37.3	Very low	36.4	Very low	89 Å²	89	135.8 Å²	135.8	48%	0.476	70%	0.703	S	S	.	*	S	Bend	trans	-109.4	7.1	-167.2	-152.9	44.4	0	0	0	114.3	R433	D429-R433 PolarHBondContact O-NE 3.24Å; D429-R433 IonicContact OD2-CZ 3.76Å; D429-R433 IonicContact OD2-NH2 2.66Å; D429-R433 PolarHBondContact OD2-NH2 3.44Å
430	L	36.7	Very low	36	Very low	142 Å²	142	131.2 Å²	131.2	74%	0.743	70%	0.703	S	S	*	*	S	Bend	trans	-102.4	-12.9	179.2	-69.6	171.6	0	0	0	114	R432	L430-R432 PolarHBondContact O-N 3.24Å
431	D	34.9	Very low	35.9	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	72%	0.715	S	S	*	*	S	Bend	trans	-99.6	25.3	-173	-147.6	27.2	0	0	0	112.2
432	R	37.4	Very low	35.7	Very low	212 Å²	212	131.3 Å²	131.3	80%	0.8	73%	0.734	S	S	*	*	S	Bend	trans	-147.4	16.9	-168.4	-67	-164.6	67.2	117.9	5.6	115.7	L430	L430-R432 PolarHBondContact O-N 3.24Å
433	R	32.2	Very low	35.6	Very low	175 Å²	175	130 Å²	130	66%	0.66	73%	0.726	S	S	*	*			trans	-135.2	45.3	-173.9	-54.7	-167.8	-149.2	162.6	2.2	114.8	D429	D429-R433 PolarHBondContact O-NE 3.24Å; D429-R433 IonicContact OD2-CZ 3.76Å; D429-R433 IonicContact OD2-NH2 2.66Å; D429-R433 PolarHBondContact OD2-NH2 3.44Å
434	D	31.5	Very low	35.6	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	73%	0.729	S	S	*	*	S	Bend	trans	-137.4	67.4	165.6	-86.3	-52.9	0	0	0	109.4
435	D	33.6	Very low	35.2	Very low	159 Å²	159	134.1 Å²	134.1	85%	0.85	74%	0.738	S	S	*	*	S	Bend	trans	-169	147	159.9	-107.3	-32.6	0	0	0	111.1
436	E	35.4	Very low	35.2	Very low	179 Å²	179	137.1 Å²	137.1	84%	0.836	75%	0.746	S	S	*	*			trans	73	145.1	172.1	-53.9	-164.9	152.3	0	0	121.9
437	I	37.6	Very low	35	Very low	165 Å²	165	140 Å²	140	85%	0.846	75%	0.745	S	S	*	*			trans	88.9	101.7	163.7	-46.9	-169.9	0	0	0	119.1
438	D	34.8	Very low	34.7	Very low	164 Å²	164	143.3 Å²	143.3	88%	0.877	76%	0.758	S	S	*	*			trans	-84.8	162	163.4	171.3	33.9	0	0	0	111.8
439	G	33.2	Very low	34.5	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	76%	0.763	S	S	*	*			trans	135.1	99.9	157.8	0	0	0	0	0	120
440	S	35.9	Very low	34.2	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	77%	0.774	S	S	*	*			trans	64	93.6	140.6	-171.1	0	0	0	0	122.4
441	A	31.9	Very low	34	Very low	106 Å²	106	144 Å²	144	88%	0.876	78%	0.782	S	S	*	*				24.8	133.8	126.4	0	0	0	0	0	122.6
442	G	34.7	Very low	34	Very low	84 Å²	84	144 Å²	144	87%	0.866	78%	0.776	S	S	*	*			trans	-168.3	79.8	169.3	0	0	0	0	0	115.5
443	D	34	Very low	34	Very low	117 Å²	117	143 Å²	143	63%	0.626	78%	0.78	S	S	*	*			trans	-69.3	126.8	179.5	154	62.7	0	0	0	114.6
444	K	37.2	Very low	34	Very low	165 Å²	165	139.9 Å²	139.9	72%	0.717	79%	0.786	S	S	*	*				-175.3	114.7	124.4	-105.8	139.3	-158.3	114.9	0	119.4
445	T	33.9	Very low	34.3	Very low	104 Å²	104	139.9 Å²	139.9	64%	0.638	79%	0.785	S	S	*	*			trans	62.1	123.1	132.1	56.5	0	0	0	0	124.4
446	K	34.7	Very low	34.3	Very low	169 Å²	169	136.9 Å²	136.9	74%	0.735	78%	0.782	S	S	*	*			trans	82.6	118.1	132.2	-69.2	-174.5	176.4	-171.4	0	118.7
447	Q	32.5	Very low	34.1	Very low	144 Å²	144	132.7 Å²	132.7	67%	0.673	78%	0.778	S	S	*	*				67.1	128.1	90.6	-70.9	177.4	-83.2	0	0	112.2
448	E	32.7	Very low	34.2	Very low	175 Å²	175	130.8 Å²	130.8	82%	0.818	78%	0.776	S	S	*	*			cis	-152.9	168.5	20.2	-111.8	144.7	-142.4	0	0	111.7
449	G	32.3	Very low	34.5	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	77%	0.769	S	S	*	*			trans	142.5	80.7	169.3	0	0	0	0	0	114.5
450	N	30.8	Very low	35	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	78%	0.781	S	S	*	*			trans	-121.1	100.4	-165.9	-148.5	38.3	0	0	0	113.1	H452	N450-H452 PolarHBondContact OD1-CD2 3.29Å; N450-H452 VanDerWaalsContact OD1-CD2 3.22Å
451	E	32.7	Very low	35.8	Very low	193 Å²	193	133.7 Å²	133.7	90%	0.902	76%	0.762	S	S	*	*			trans	-119.6	82.1	168.6	-72.4	-164.9	153.6	0	0	110.5	H453	E451-H453 PolarHBondContact O-N 3.34Å
452	H	35.7	Very low	37.2	Very low	158 Å²	158	132.1 Å²	132.1	73%	0.731	74%	0.742	S	S	*	*			trans	-83.1	103.3	173.7	-87.5	-83.2	0	0	0	111.1	N450 S454	N450-H452 PolarHBondContact OD1-CD2 3.29Å; N450-H452 VanDerWaalsContact OD1-CD2 3.22Å; H452-S454 PolarHBondContact O-N 3.05Å
453	H	38.1	Very low	38.8	Very low	190 Å²	190	135.6 Å²	135.6	88%	0.88	74%	0.735	S	S	*	*			trans	-65.7	103.3	156.2	-94.9	-78.5	0	0	0	109.1	E451 L455	E451-H453 PolarHBondContact O-N 3.34Å; H453-L455 PolarHBondContact O-N 2.85Å
454	S	31.8	Very low	41.1	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	71%	0.708	S	S	*	*			trans	-67.8	114.3	175.3	-168	0	0	0	0	110.1	H452	H452-S454 PolarHBondContact O-N 3.05Å
455	L	37.1	Very low	43.4	Very low	164 Å²	164	127.5 Å²	127.5	86%	0.859	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-60.4	142.2	154.3	-76.3	155.7	0	0	0	108.4	H453	H453-L455 PolarHBondContact O-N 2.85Å
456	A	33.4	Very low	45.9	Very low	96 Å²	96	126.1 Å²	126.1	79%	0.793	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-68.5	138.9	-174.6	0	0	0	0	0	111.4
457	A	32.2	Very low	48.4	Very low	90 Å²	90	125 Å²	125	74%	0.744	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-63.2	145	170.3	0	0	0	0	0	110.3	A459	A457-A459 PolarHBondContact O-N 3.4Å
458	P	38.5	Very low	51.2	Low	126 Å²	126	120.7 Å²	120.7	82%	0.818	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.8	177.3	25.4	-34	0	0	0	110.2	K460	P458-K460 PolarHBondContact O-N 2.83Å
459	A	40.6	Very low	54	Low	88 Å²	88	112.8 Å²	112.8	73%	0.727	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.4	178.7	0	0	0	0	0	110.1	A457 R461	A457-A459 PolarHBondContact O-N 3.4Å; A459-R461 PolarHBondContact O-N 3.29Å
460	K	44.1	Very low	56.9	Low	203 Å²	203	112.9 Å²	112.9	88%	0.883	60%	0.603	S	S	*	*			trans	-61.8	112.6	174.3	-80	-177	173.3	179.4	0	108.7	P458 V462	P458-K460 PolarHBondContact O-N 2.83Å; K460-V462 PolarHBondContact O-N 3.22Å; K460-V462 VanDerWaalsContact O-N 3.16Å
461	R	53.2	Low	59.8	Low	111 Å²	111	110.5 Å²	110.5	42%	0.419	59%	0.593	S	S	.	*			trans	-47.4	121.1	170.2	-71.5	-179.1	171.4	-147.4	-7.3	109	D303 E354 A459 Q463	D303-R461 IonicContact OD1-CZ 3.36Å; D303-R461 IonicContact OD1-NH1 2.84Å; D303-R461 PolarHBondContact OD1-NH1 3.24Å; D303-R461 IonicContact OD1-NH2 2.89Å; D303-R461 PolarHBondContact OD1-NH2 2.87Å; E354-R461 IonicContact OE1-CZ 3.2Å; E354-R461 IonicContact OE1-NE 2.87Å; E354-R461 PolarHBondContact OE1-NE 3.03Å; E354-R461 IonicContact OE1-NH2 2.73Å; E354-R461 PolarHBondContact OE1-NH2 2.86Å; E354-R461 IonicContact OE2-CZ 3.65Å; E354-R461 IonicContact OE2-NE 3.33Å; E354-R461 PolarHBondContact OE2-NE 3.05Å; E354-R461 IonicContact OE2-NH2 3.47Å; E354-R461 PolarHBondContact OE2-NH2 3.39Å; A459-R461 PolarHBondContact O-N 3.29Å; R461-Q463 PolarHBondContact O-N 3.41Å
462	V	61.3	Low	62.6	Low	73 Å²	73	103.8 Å²	103.8	44%	0.442	57%	0.565	S	S	.	*			trans	-64.1	121.9	174.5	178.1	0	0	0	0	107.9	K460 C803	K460-V462 PolarHBondContact O-N 3.22Å; K460-V462 VanDerWaalsContact O-N 3.16Å; V462-C803 PolarHBondContact O-SG 3.01Å
463	Q	68.5	Low	65.1	Low	157 Å²	157	101 Å²	101	73%	0.734	55%	0.551	S	S	*	*			trans	-88	108.8	176.6	-72.2	-175.7	-14.8	0	0	109.8	R461	R461-Q463 PolarHBondContact O-N 3.41Å
464	L	82.9	Confident	67.5	Low	11 Å²	11	94.4 Å²	94.4	6%	0.058	52%	0.522	C	S	.	.			trans	-57.4	137.2	173.3	-71.5	171.6	0	0	0	112.1	F469 F536 L545 Y807	L464-F469 HydrophobicContact CD2-CE2 4.03Å; L464-F469 HydrophobicContact CD2-CZ 3.87Å; L464-F536 HydrophobicContact CB-CB 4.28Å; L464-F536 HydrophobicContact CB-CD1 3.75Å; L464-F536 HydrophobicContact CB-CG 4.35Å; L464-F536 WeakPolarHBondContact O-CB 3.36Å; L464-L545 HydrophobicContact CD1-CD2 4.19Å; L464-L545 HydrophobicContact CD2-CD2 4.27Å; L464-Y807 HydrophobicContact CD2-CD1 4.11Å; L464-Y807 HydrophobicContact CD2-CE1 3.53Å; L464-Y807 HydrophobicContact CD2-CE2 4.03Å; L464-Y807 VanDerWaalsContact CD2-CZ 3.48Å; L464-Y807 HydrophobicContact CG-CE1 4.37Å
465	K	84.8	Confident	70.1	Confident	102 Å²	102	89.6 Å²	89.6	44%	0.443	49%	0.487	S	S	.	.			trans	-135.8	158.1	174.4	-62.7	176	-173.9	174.7	0	110.9	E467 D468 F469	K465-E467 HydrophobicContact CB-CB 4.33Å; K465-E467 PolarHBondContact O-N 3.27Å; K465-D468 PolarHBondContact N-OD2 3.41Å; K465-D468 PolarHBondContact O-N 2.85Å; K465-D468 VanDerWaalsContact O-N 3.12Å; K465-F469 VanDerWaalsContact O-CD2 3.29Å; K465-F469 WeakPolarHBondContact O-CD2 3.47Å
466	E	86.2	Confident	72.3	Confident	75 Å²	75	84.8 Å²	84.8	35%	0.35	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.5	170.7	-169.4	162.9	-144.4	0	0	112.3	D468 F469 K499 F536 T538	E466-D468 VanDerWaalsContact C-N 3.26Å; E466-D468 PolarHBondContact O-N 2.76Å; E466-F469 PolarHBondContact O-N 3.14Å; E466-K499 WeakPolarHBondContact OE1-CE 3.42Å; E466-K499 IonicContact OE1-NZ 2.67Å; E466-K499 PolarHBondContact OE1-NZ 3.27Å; E466-F536 HydrophobicContact CB-CE2 3.88Å; E466-F536 HydrophobicContact CB-CZ 4.37Å; E466-T538 HydrophobicContact CB-CG2 4.19Å; E466-T538 WeakPolarHBondContact OE2-CG2 3.34Å
467	E	88.1	Confident	74.6	Confident	145 Å²	145	81 Å²	81	68%	0.678	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.2	177	-69.4	170.5	-152.7	0	0	113.9	K465 F469 K489	K465-E467 HydrophobicContact CB-CB 4.33Å; K465-E467 PolarHBondContact O-N 3.27Å; E467-F469 PolarHBondContact O-N 3.1Å; E467-K489 WeakPolarHBondContact O-CD 3.39Å; E467-K489 PolarHBondContact O-NZ 3.06Å
468	D	89.8	Confident	76.4	Confident	53 Å²	53	77.8 Å²	77.8	28%	0.283	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-77.7	-10.7	-177.9	-51.1	-34.6	0	0	0	112.5	K465 E466 K489	K465-D468 PolarHBondContact N-OD2 3.41Å; K465-D468 PolarHBondContact O-N 2.85Å; K465-D468 VanDerWaalsContact O-N 3.12Å; E466-D468 VanDerWaalsContact C-N 3.26Å; E466-D468 PolarHBondContact O-N 2.76Å; D468-K489 WeakPolarHBondContact O-CB 3.4Å; D468-K489 PolarHBondContact O-N 3.3Å
469	F	92.8	Very high	77.8	Confident	9 Å²	9	73.5 Å²	73.5	4%	0.039	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.2	-172.1	-60.2	-82.4	0	0	0	113	L464 K465 E466 E467 V486 R487 K489 F495 F536 L545	L464-F469 HydrophobicContact CD2-CE2 4.03Å; L464-F469 HydrophobicContact CD2-CZ 3.87Å; K465-F469 VanDerWaalsContact O-CD2 3.29Å; K465-F469 WeakPolarHBondContact O-CD2 3.47Å; E466-F469 PolarHBondContact O-N 3.14Å; E467-F469 PolarHBondContact O-N 3.1Å; F469-V486 HydrophobicContact CB-CB 4.15Å; F469-V486 HydrophobicContact CB-CG2 4.25Å; F469-V486 HydrophobicContact CD1-CG2 3.83Å; F469-V486 HydrophobicContact CG-CG2 4.18Å; F469-R487 CarbonylContact C-O 3.2Å; F469-R487 WeakPolarHBondContact CA-O 3.27Å; F469-K489 VanDerWaalsContact C-CE 3.49Å; F469-K489 WeakPolarHBondContact O-CE 3.45Å; F469-K489 PolarHBondContact O-NZ 3.05Å; F469-K489 VanDerWaalsContact O-NZ 3.13Å; F469-F495 HydrophobicContact CD1-CD2 4.49Å; F469-F495 AromaticContact CE1-CD2 3.98Å; F469-F495 HydrophobicContact CE1-CD2 3.98Å; F469-F495 HydrophobicContact CE1-CE2 4.31Å; F469-F536 HydrophobicContact CE2-CE1 4.2Å; F469-L545 HydrophobicContact CD1-CD1 4.31Å; F469-L545 HydrophobicContact CE1-CD1 3.76Å; F469-L545 HydrophobicContact CE1-CD2 3.91Å; F469-L545 HydrophobicContact CE2-CD1 4.42Å; F469-L545 HydrophobicContact CE2-CD2 4.33Å; F469-L545 HydrophobicContact CZ-CD1 3.84Å; F469-L545 HydrophobicContact CZ-CD2 3.46Å; F469-L545 VanDerWaalsContact CZ-CD2 3.46Å; F469-L545 HydrophobicContact CZ-CG 4.32Å
470	E	93.2	Very high	79.1	Confident	81 Å²	81	73.6 Å²	73.6	38%	0.379	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.2	166.2	177.3	174.1	-145	0	0	107.7	V472 V486 R487 K489 R492	E470-V472 PolarHBondContact O-N 3.27Å; E470-V486 CarbonylContact O-C 3.59Å; E470-V486 VanDerWaalsContact O-CA 3.26Å; E470-V486 WeakPolarHBondContact O-CA 3.28Å; E470-R487 HydrophobicContact CB-CB 4.41Å; E470-R487 PolarHBondContact N-O 3.07Å; E470-R487 PolarHBondContact O-N 2.85Å; E470-K489 HydrophobicContact CB-CG 4.36Å; E470-R492 IonicContact OE2-CZ 3.94Å; E470-R492 IonicContact OE2-NH1 3.36Å; E470-R492 PolarHBondContact OE2-NH1 2.98Å; E470-R492 IonicContact OE2-NH2 3.48Å; E470-R492 PolarHBondContact OE2-NH2 3.23Å
471	T	91.8	Very high	80.7	Confident	84 Å²	84	64.3 Å²	64.3	52%	0.515	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.5	175	-75.5	0	0	0	0	109.4	V484	T471-V484 HydrophobicContact CG2-CG1 3.57Å
472	V	90.4	Very high	82.4	Confident	53 Å²	53	59.5 Å²	59.5	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-54.6	-176.8	-175.3	0	0	0	0	110.7	E470 L485 R487	E470-V472 PolarHBondContact O-N 3.27Å; V472-L485 HydrophobicContact CB-CD2 4.28Å; V472-L485 HydrophobicContact CB-CG 4.04Å; V472-L485 WeakPolarHBondContact CB-O 3.34Å; V472-L485 HydrophobicContact CG1-CD2 4.14Å; V472-L485 HydrophobicContact CG1-CG 4.45Å; V472-L485 HydrophobicContact CG2-CG 4.47Å; V472-L485 PolarHBondContact N-O 3.41Å; V472-R487 HydrophobicContact CG2-CB 3.92Å
473	K	88.6	Confident	83.7	Confident	98 Å²	98	57.6 Å²	57.6	43%	0.426	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	143.2	-174.5	-168.9	172	172.8	-170.8	0	113.6	I475 V484 L485 T769	K473-I475 PolarHBondContact O-N 3.21Å; K473-V484 CarbonylContact O-C 3.58Å; K473-V484 WeakPolarHBondContact O-CA 3.06Å; K473-V484 WeakPolarHBondContact O-CG1 3.39Å; K473-L485 PolarHBondContact N-O 3.13Å; K473-L485 PolarHBondContact O-N 3.14Å; K473-T769 HydrophobicContact CD-CG2 3.89Å; K473-T769 WeakPolarHBondContact CE-OG1 3.48Å; K473-T769 PolarHBondContact NZ-OG1 3.39Å
474	L	88	Confident	84.8	Confident	52 Å²	52	50.7 Å²	50.7	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.1	165.8	-179.4	67.6	0	0	0	109.8	S476 N477 A482 V484	L474-S476 WeakPolarHBondContact CD1-O 3.47Å; L474-N477 HydrophobicContact CD2-CB 4.28Å; L474-A482 HydrophobicContact CD1-CB 3.81Å; L474-V484 HydrophobicContact CD1-CG2 4.12Å
475	I	86.6	Confident	85.3	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-25.2	-177.1	58.7	172.2	0	0	0	113.9	K473 V483 L485 A496 Y548 T769 F772	K473-I475 PolarHBondContact O-N 3.21Å; I475-V483 HydrophobicContact CD1-CG1 4.03Å; I475-V483 HydrophobicContact CG1-CB 4.2Å; I475-V483 HydrophobicContact CG1-CG1 4.03Å; I475-V483 VanDerWaalsContact CG1-O 3.24Å; I475-V483 WeakPolarHBondContact CG1-O 3.44Å; I475-V483 PolarHBondContact N-O 2.93Å; I475-L485 HydrophobicContact CG2-CB 3.74Å; I475-A496 HydrophobicContact CD1-CB 4.2Å; I475-Y548 HydrophobicContact CD1-CD2 3.9Å; I475-Y548 HydrophobicContact CD1-CE2 3.78Å; I475-Y548 HydrophobicContact CG2-CE2 4.42Å; I475-T769 HydrophobicContact CG2-CG2 3.84Å; I475-F772 HydrophobicContact CB-CD1 4Å; I475-F772 HydrophobicContact CB-CE1 4.24Å; I475-F772 HydrophobicContact CB-CG 4.19Å; I475-F772 HydrophobicContact CD1-CE1 4.17Å; I475-F772 HydrophobicContact CD1-CZ 4.25Å; I475-F772 WeakPolarHBondContact O-CD1 3.46Å
476	S	84.1	Confident	85.8	Confident	63 Å²	63	45.3 Å²	45.3	44%	0.441	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	149.7	169.8	-175.1	0	0	0	0	110.8	L474 V483	L474-S476 WeakPolarHBondContact CD1-O 3.47Å; S476-V483 PolarHBondContact N-O 2.82Å; S476-V483 PolarHBondContact O-N 2.94Å
477	N	80.4	Confident	86.2	Confident	18 Å²	18	43.3 Å²	43.3	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	107.3	-177.5	-166.7	5.7	0	0	0	110.7	L474 S776 Y779 H781	L474-N477 HydrophobicContact CD2-CB 4.28Å; N477-S776 PolarHBondContact ND2-O 2.87Å; N477-Y779 VanDerWaalsContact CG-O 3.3Å; N477-Y779 PolarHBondContact ND2-O 2.77Å; N477-Y779 PolarHBondContact OD1-O 3.45Å; N477-Y779 VanDerWaalsContact OD1-O 3.06Å; N477-H781 PolarHBondContact OD1-CD2 2.9Å
478	G	71.3	Confident	86.4	Confident	22 Å²	22	36.5 Å²	36.5	23%	0.227	20%	0.203	C	C	.	.			trans	-129.3	175.5	-166.5	0	0	0	0	0	114.7	Y480 G481 H781	G478-Y480 PolarHBondContact O-N 2.66Å; G478-G481 PolarHBondContact N-O 3.41Å; G478-G481 PolarHBondContact O-N 2.93Å; G478-H781 PolarHBondContact O-NE2 3.35Å
479	A	67.4	Low	86.4	Confident	36 Å²	36	39.3 Å²	39.3	30%	0.298	21%	0.213	S	C	.	.	S	Bend	trans	-65.1	-18.5	-178.7	0	0	0	0	0	113.9	R508 Y779	A479-R508 VanDerWaalsContact O-CZ 3.26Å; A479-R508 PolarHBondContact O-NH1 2.63Å; A479-R508 PolarHBondContact O-NH2 2.71Å; A479-Y779 HydrophobicContact CB-CE1 4.26Å
480	Y	66.7	Low	86.2	Confident	89 Å²	89	45.1 Å²	45.1	35%	0.349	24%	0.241	S	C	.	.	S	Bend	trans	-93.6	-33.6	176.8	-58.7	-74.2	0	0	0	112.9	G478	G478-Y480 PolarHBondContact O-N 2.66Å
481	G	79.3	Confident	86	Confident	9 Å²	9	42.9 Å²	42.9	9%	0.093	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-169.9	-175.5	0	0	0	0	0	112.7	G478 K499	G478-G481 PolarHBondContact N-O 3.41Å; G478-G481 PolarHBondContact O-N 2.93Å; G481-K499 VanDerWaalsContact CA-O 3.27Å; G481-K499 WeakPolarHBondContact CA-O 3.35Å
482	A	87.2	Confident	85.9	Confident	9 Å²	9	44.6 Å²	44.6	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142.7	177.5	0	0	0	0	0	110.6	L474 K499	L474-A482 HydrophobicContact CD1-CB 3.81Å; A482-K499 PolarHBondContact N-O 3.15Å; A482-K499 PolarHBondContact O-N 2.94Å
483	V	90.4	Very high	85.8	Confident	34 Å²	34	45.1 Å²	45.1	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.9	171.6	-167.1	0	0	0	0	108.7	I475 S476 A496 L497 K498	I475-V483 HydrophobicContact CD1-CG1 4.03Å; I475-V483 HydrophobicContact CG1-CB 4.2Å; I475-V483 HydrophobicContact CG1-CG1 4.03Å; I475-V483 VanDerWaalsContact CG1-O 3.24Å; I475-V483 WeakPolarHBondContact CG1-O 3.44Å; I475-V483 PolarHBondContact N-O 2.93Å; S476-V483 PolarHBondContact N-O 2.82Å; S476-V483 PolarHBondContact O-N 2.94Å; V483-A496 HydrophobicContact CG1-CB 4.11Å; V483-L497 WeakPolarHBondContact CA-O 3.43Å; V483-K498 HydrophobicContact CG2-CB 4.3Å; V483-K498 HydrophobicContact CG2-CG 4.23Å
484	V	91.4	Very high	86	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.3	-169.5	-175.6	0	0	0	0	109.2	T471 K473 L474 V486 L497	T471-V484 HydrophobicContact CG2-CG1 3.57Å; K473-V484 CarbonylContact O-C 3.58Å; K473-V484 WeakPolarHBondContact O-CA 3.06Å; K473-V484 WeakPolarHBondContact O-CG1 3.39Å; L474-V484 HydrophobicContact CD1-CG2 4.12Å; V484-V486 HydrophobicContact CB-CG1 4.32Å; V484-V486 HydrophobicContact CG1-CG1 3.97Å; V484-V486 PolarHBondContact O-N 2.98Å; V484-L497 PolarHBondContact N-O 2.59Å; V484-L497 PolarHBondContact O-N 3.31Å
485	L	93.5	Very high	86.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	119.3	165	173.8	60.2	0	0	0	108.2	V472 K473 I475 R494 Y548 E767 T769	V472-L485 HydrophobicContact CB-CD2 4.28Å; V472-L485 HydrophobicContact CB-CG 4.04Å; V472-L485 WeakPolarHBondContact CB-O 3.34Å; V472-L485 HydrophobicContact CG1-CD2 4.14Å; V472-L485 HydrophobicContact CG1-CG 4.45Å; V472-L485 HydrophobicContact CG2-CG 4.47Å; V472-L485 PolarHBondContact N-O 3.41Å; K473-L485 PolarHBondContact N-O 3.13Å; K473-L485 PolarHBondContact O-N 3.14Å; I475-L485 HydrophobicContact CG2-CB 3.74Å; L485-R494 HydrophobicContact CD1-CB 4.16Å; L485-Y548 HydrophobicContact CD1-CD1 3.75Å; L485-Y548 HydrophobicContact CD1-CD2 3.8Å; L485-Y548 HydrophobicContact CD1-CE1 4.05Å; L485-Y548 HydrophobicContact CD1-CE2 4.1Å; L485-Y548 HydrophobicContact CD1-CG 3.62Å; L485-Y548 HydrophobicContact CD2-CE1 4.3Å; L485-E767 HydrophobicContact CD2-CB 4.21Å; L485-T769 HydrophobicContact CD2-CG2 3.97Å
486	V	94.2	Very high	86.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.4	175.9	-55	0	0	0	0	110.5	F469 E470 V484 R494 F495 L497 L545	F469-V486 HydrophobicContact CB-CB 4.15Å; F469-V486 HydrophobicContact CB-CG2 4.25Å; F469-V486 HydrophobicContact CD1-CG2 3.83Å; F469-V486 HydrophobicContact CG-CG2 4.18Å; E470-V486 CarbonylContact O-C 3.59Å; E470-V486 VanDerWaalsContact O-CA 3.26Å; E470-V486 WeakPolarHBondContact O-CA 3.28Å; V484-V486 HydrophobicContact CB-CG1 4.32Å; V484-V486 HydrophobicContact CG1-CG1 3.97Å; V484-V486 PolarHBondContact O-N 2.98Å; V486-R494 WeakPolarHBondContact O-CA 3.45Å; V486-F495 HydrophobicContact CG2-CB 4Å; V486-F495 PolarHBondContact N-O 3.45Å; V486-F495 PolarHBondContact O-N 3.4Å; V486-F495 VanDerWaalsContact O-O 3.14Å; V486-L497 HydrophobicContact CB-CB 4.49Å; V486-L497 HydrophobicContact CG1-CB 3.71Å; V486-L497 HydrophobicContact CG1-CD2 3.89Å; V486-L497 HydrophobicContact CG1-CG 4.47Å; V486-L497 HydrophobicContact CG2-CB 3.9Å; V486-L545 HydrophobicContact CG2-CD1 4.11Å
487	R	94.1	Very high	87.1	Confident	34 Å²	34	37.3 Å²	37.3	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.8	179	-170.3	-166.5	-79.5	-118.4	27.8	108.9	F469 E470 V472 K489 R492 Q493 E767	F469-R487 CarbonylContact C-O 3.2Å; F469-R487 WeakPolarHBondContact CA-O 3.27Å; E470-R487 HydrophobicContact CB-CB 4.41Å; E470-R487 PolarHBondContact N-O 3.07Å; E470-R487 PolarHBondContact O-N 2.85Å; V472-R487 HydrophobicContact CG2-CB 3.92Å; R487-K489 PolarHBondContact O-N 2.95Å; R487-R492 VanDerWaalsContact CG-O 3.24Å; R487-R492 WeakPolarHBondContact CG-O 3.31Å; R487-R492 PolarHBondContact NH1-O 2.86Å; R487-Q493 CarbonylContact C-O 3.55Å; R487-Q493 VanDerWaalsContact CA-O 3.29Å; R487-Q493 WeakPolarHBondContact CA-O 3.28Å; R487-E767 IonicContact CZ-OE1 2.73Å; R487-E767 IonicContact CZ-OE2 2.71Å; R487-E767 IonicContact NE-OE1 2.67Å; R487-E767 PolarHBondContact NE-OE1 3.44Å; R487-E767 IonicContact NH2-OE1 2.63Å; R487-E767 PolarHBondContact NH2-OE1 2.98Å; R487-E767 IonicContact NH2-OE2 2.81Å; R487-E767 PolarHBondContact NH2-OE2 3.39Å
488	S	92.7	Very high	87.6	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	135.4	173.1	171.3	0	0	0	0	109.8	E490 T491 R492 Q493	S488-E490 VanDerWaalsContact C-N 3.34Å; S488-E490 PolarHBondContact OG-N 3.31Å; S488-T491 WeakPolarHBondContact CB-OG1 3.29Å; S488-T491 PolarHBondContact OG-N 3.34Å; S488-T491 PolarHBondContact OG-OG1 2.79Å; S488-R492 WeakPolarHBondContact O-CA 3.44Å; S488-R492 PolarHBondContact O-N 3.45Å; S488-R492 VanDerWaalsContact O-N 3.09Å; S488-Q493 PolarHBondContact N-O 3.2Å
489	K	91.1	Very high	88.5	Confident	113 Å²	113	38 Å²	38	49%	0.491	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-33.9	176.1	-70.5	171.4	-178.9	156.6	0	112.1	E467 D468 F469 E470 R487	E467-K489 WeakPolarHBondContact O-CD 3.39Å; E467-K489 PolarHBondContact O-NZ 3.06Å; D468-K489 WeakPolarHBondContact O-CB 3.4Å; D468-K489 PolarHBondContact O-N 3.3Å; F469-K489 VanDerWaalsContact C-CE 3.49Å; F469-K489 WeakPolarHBondContact O-CE 3.45Å; F469-K489 PolarHBondContact O-NZ 3.05Å; F469-K489 VanDerWaalsContact O-NZ 3.13Å; E470-K489 HydrophobicContact CB-CG 4.36Å; R487-K489 PolarHBondContact O-N 2.95Å
490	E	87.3	Confident	89.5	Confident	131 Å²	131	36.8 Å²	36.8	61%	0.612	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-59.6	179.3	-177.6	179.1	-161.1	0	0	111.8	S488	S488-E490 VanDerWaalsContact C-N 3.34Å; S488-E490 PolarHBondContact OG-N 3.31Å
491	T	88.6	Confident	90.4	Very high	34 Å²	34	34.6 Å²	34.6	21%	0.209	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.4	-171.7	67.8	0	0	0	0	114.1	S488 Q493	S488-T491 WeakPolarHBondContact CB-OG1 3.29Å; S488-T491 PolarHBondContact OG-N 3.34Å; S488-T491 PolarHBondContact OG-OG1 2.79Å; T491-Q493 PolarHBondContact O-N 2.75Å; T491-Q493 VanDerWaalsContact OG1-CB 3.28Å; T491-Q493 WeakPolarHBondContact OG1-CB 3.24Å; T491-Q493 PolarHBondContact OG1-N 3.25Å
492	R	89.8	Confident	90.7	Very high	119 Å²	119	35.4 Å²	35.4	45%	0.449	16%	0.162	S	C	.	.			trans	55.3	7.1	-169.3	-55.2	-62.8	-69.4	157.2	-1.8	115.1	E470 R487 S488	E470-R492 IonicContact OE2-CZ 3.94Å; E470-R492 IonicContact OE2-NH1 3.36Å; E470-R492 PolarHBondContact OE2-NH1 2.98Å; E470-R492 IonicContact OE2-NH2 3.48Å; E470-R492 PolarHBondContact OE2-NH2 3.23Å; R487-R492 VanDerWaalsContact CG-O 3.24Å; R487-R492 WeakPolarHBondContact CG-O 3.31Å; R487-R492 PolarHBondContact NH1-O 2.86Å; S488-R492 WeakPolarHBondContact O-CA 3.44Å; S488-R492 PolarHBondContact O-N 3.45Å; S488-R492 VanDerWaalsContact O-N 3.09Å
493	Q	90.1	Very high	90.4	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.299	17%	0.173	S	C	.	.			trans	-71.4	151.2	176.8	-173.8	176.6	0.6	0	0	111.5	R487 S488 T491 F495	R487-Q493 CarbonylContact C-O 3.55Å; R487-Q493 VanDerWaalsContact CA-O 3.29Å; R487-Q493 WeakPolarHBondContact CA-O 3.28Å; S488-Q493 PolarHBondContact N-O 3.2Å; T491-Q493 PolarHBondContact O-N 2.75Å; T491-Q493 VanDerWaalsContact OG1-CB 3.28Å; T491-Q493 WeakPolarHBondContact OG1-CB 3.24Å; T491-Q493 PolarHBondContact OG1-N 3.25Å; Q493-F495 HydrophobicContact CB-CE2 3.83Å; Q493-F495 HydrophobicContact CB-CZ 4.02Å; Q493-F495 VanDerWaalsContact CD-CZ 3.49Å; Q493-F495 HydrophobicContact CG-CE1 4.33Å; Q493-F495 HydrophobicContact CG-CE2 3.9Å; Q493-F495 HydrophobicContact CG-CZ 3.7Å
494	R	92.1	Very high	90	Very high	50 Å²	50	37.3 Å²	37.3	19%	0.189	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142	-174	-63.7	158.3	-128.1	-122.6	-6.9	111.1	L485 V486 E766	L485-R494 HydrophobicContact CD1-CB 4.16Å; V486-R494 WeakPolarHBondContact O-CA 3.45Å; R494-E766 WeakPolarHBondContact CD-O 3.47Å; R494-E766 VanDerWaalsContact CZ-CD 3.5Å; R494-E766 VanDerWaalsContact CZ-CG 3.46Å; R494-E766 IonicContact CZ-OE2 3.14Å; R494-E766 IonicContact NE-OE2 2.78Å; R494-E766 PolarHBondContact NE-OE2 3.23Å; R494-E766 PolarHBondContact NH1-O 2.84Å; R494-E766 IonicContact NH1-OE2 2.63Å; R494-E766 IonicContact NH2-OE1 3.51Å; R494-E766 IonicContact NH2-OE2 2.66Å; R494-E766 PolarHBondContact NH2-OE2 3.49Å
495	F	94.2	Very high	89.5	Confident	1 Å²	1	37 Å²	37	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.7	-176.8	-58.7	-82.9	0	0	0	110.3	F469 V486 Q493 Y533 L545 L546 Y807	F469-F495 HydrophobicContact CD1-CD2 4.49Å; F469-F495 AromaticContact CE1-CD2 3.98Å; F469-F495 HydrophobicContact CE1-CD2 3.98Å; F469-F495 HydrophobicContact CE1-CE2 4.31Å; V486-F495 HydrophobicContact CG2-CB 4Å; V486-F495 PolarHBondContact N-O 3.45Å; V486-F495 PolarHBondContact O-N 3.4Å; V486-F495 VanDerWaalsContact O-O 3.14Å; Q493-F495 HydrophobicContact CB-CE2 3.83Å; Q493-F495 HydrophobicContact CB-CZ 4.02Å; Q493-F495 VanDerWaalsContact CD-CZ 3.49Å; Q493-F495 HydrophobicContact CG-CE1 4.33Å; Q493-F495 HydrophobicContact CG-CE2 3.9Å; Q493-F495 HydrophobicContact CG-CZ 3.7Å; F495-Y533 AromaticContact CD1-CD2 3.6Å; F495-Y533 HydrophobicContact CD1-CD2 3.6Å; F495-Y533 AromaticContact CD1-CE2 3.89Å; F495-Y533 HydrophobicContact CD1-CE2 3.89Å; F495-Y533 HydrophobicContact CD1-CG 4.06Å; F495-Y533 AromaticContact CE1-CD1 3.98Å; F495-Y533 HydrophobicContact CE1-CD1 3.98Å; F495-Y533 AromaticContact CE1-CD2 3.64Å; F495-Y533 HydrophobicContact CE1-CD2 3.64Å; F495-Y533 HydrophobicContact CE1-CE1 4.15Å; F495-Y533 AromaticContact CE1-CE2 3.8Å; F495-Y533 HydrophobicContact CE1-CE2 3.8Å; F495-Y533 AromaticContact CE1-CG 3.72Å; F495-Y533 HydrophobicContact CE1-CG 3.72Å; F495-L545 HydrophobicContact CB-CD1 3.54Å; F495-L545 HydrophobicContact CB-CG 4.15Å; F495-L545 HydrophobicContact CD1-CD1 4.49Å; F495-L545 HydrophobicContact CD1-CD2 4.49Å; F495-L545 HydrophobicContact CD1-CG 4.27Å; F495-L545 HydrophobicContact CD2-CD1 4.45Å; F495-L545 HydrophobicContact CG-CD1 3.94Å; F495-L545 HydrophobicContact CG-CG 4.21Å; F495-L546 CarbonylContact C-O 3.51Å; F495-L546 WeakPolarHBondContact CA-O 3.44Å; F495-L546 WeakPolarHBondContact CB-O 3.4Å; F495-Y807 HydrophobicContact CZ-CE2 4.49Å
496	A	93.9	Very high	88.7	Confident	8 Å²	8	40 Å²	40	7%	0.066	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.2	168.7	0	0	0	0	0	109.7	I475 V483 L546	I475-A496 HydrophobicContact CD1-CB 4.2Å; V483-A496 HydrophobicContact CG1-CB 4.11Å; A496-L546 HydrophobicContact CB-CB 4.29Å; A496-L546 PolarHBondContact N-O 3.18Å; A496-L546 WeakPolarHBondContact O-CB 3.36Å; A496-L546 PolarHBondContact O-N 2.95Å
497	L	93.2	Very high	87.9	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.2	179.9	-171.2	65	0	0	0	110	V483 V484 V486 K499 F536 C543 L544 L545	V483-L497 WeakPolarHBondContact CA-O 3.43Å; V484-L497 PolarHBondContact N-O 2.59Å; V484-L497 PolarHBondContact O-N 3.31Å; V486-L497 HydrophobicContact CB-CB 4.49Å; V486-L497 HydrophobicContact CG1-CB 3.71Å; V486-L497 HydrophobicContact CG1-CD2 3.89Å; V486-L497 HydrophobicContact CG1-CG 4.47Å; V486-L497 HydrophobicContact CG2-CB 3.9Å; L497-K499 HydrophobicContact CD2-CG 4.38Å; L497-K499 HydrophobicContact CG-CG 4.2Å; L497-K499 PolarHBondContact O-N 3.36Å; L497-F536 HydrophobicContact CD1-CE1 3.84Å; L497-F536 HydrophobicContact CD1-CZ 3.76Å; L497-F536 HydrophobicContact CD2-CZ 4.12Å; L497-C543 HydrophobicContact CD1-CB 3.99Å; L497-L544 WeakPolarHBondContact CA-O 3.46Å; L497-L545 HydrophobicContact CD1-CB 4.4Å; L497-L545 HydrophobicContact CD1-CD1 4.06Å
498	K	91.4	Very high	87	Confident	20 Å²	20	50.3 Å²	50.3	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108.8	175.1	180	176.5	172.8	-172.8	0	108.9	V483 V500 E517 C543 L544 L546 D610	V483-K498 HydrophobicContact CG2-CB 4.3Å; V483-K498 HydrophobicContact CG2-CG 4.23Å; K498-V500 HydrophobicContact CG-CG2 4.23Å; K498-E517 IonicContact NZ-OE1 2.75Å; K498-E517 PolarHBondContact NZ-OE1 3.06Å; K498-E517 IonicContact NZ-OE2 3.69Å; K498-E517 PolarHBondContact NZ-OE2 2.97Å; K498-C543 WeakPolarHBondContact O-CA 3.36Å; K498-L544 HydrophobicContact CB-CB 4.36Å; K498-L544 HydrophobicContact CD-CD1 4.33Å; K498-L544 PolarHBondContact N-O 3.14Å; K498-L544 PolarHBondContact O-N 3.46Å; K498-L546 HydrophobicContact CB-CD1 4.37Å; K498-D610 IonicContact NZ-OD1 3.47Å; K498-D610 PolarHBondContact NZ-OD1 3.09Å
499	K	90.5	Very high	86.2	Confident	35 Å²	35	56.8 Å²	56.8	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.2	179.1	-57.8	-171.1	-175.4	-175.2	0	110.5	E466 G481 A482 L497	E466-K499 WeakPolarHBondContact OE1-CE 3.42Å; E466-K499 IonicContact OE1-NZ 2.67Å; E466-K499 PolarHBondContact OE1-NZ 3.27Å; G481-K499 VanDerWaalsContact CA-O 3.27Å; G481-K499 WeakPolarHBondContact CA-O 3.35Å; A482-K499 PolarHBondContact N-O 3.15Å; A482-K499 PolarHBondContact O-N 2.94Å; L497-K499 HydrophobicContact CD2-CG 4.38Å; L497-K499 HydrophobicContact CG-CG 4.2Å; L497-K499 PolarHBondContact O-N 3.36Å
500	V	87	Confident	85.4	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.9	-177.7	-176.4	0	0	0	0	109.1	K498 K502 V505 V514 H541 L542	K498-V500 HydrophobicContact CG-CG2 4.23Å; V500-K502 PolarHBondContact O-N 3.4Å; V500-V505 HydrophobicContact CG1-CG2 3.48Å; V500-V505 VanDerWaalsContact CG1-CG2 3.48Å; V500-V514 HydrophobicContact CG1-CG2 4.44Å; V500-H541 CarbonylContact O-C 3.55Å; V500-H541 WeakPolarHBondContact O-CA 3.32Å; V500-L542 PolarHBondContact N-O 2.88Å; V500-L542 PolarHBondContact O-N 3.19Å
501	K	85.8	Confident	84.9	Confident	43 Å²	43	48.5 Å²	48.5	19%	0.187	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125	-177.8	-75.1	-173.5	175.9	-167.6	0	112	S503 N504 V505 H781	K501-S503 VanDerWaalsContact C-N 3.31Å; K501-S503 PolarHBondContact O-N 2.85Å; K501-N504 HydrophobicContact CB-CB 4.02Å; K501-N504 WeakPolarHBondContact O-CB 3.47Å; K501-N504 PolarHBondContact O-N 3.25Å; K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.33Å; K501-V505 VanDerWaalsContact O-N 3.09Å; K501-H781 WeakPolarHBondContact CE-O 3.45Å; K501-H781 PolarHBondContact NZ-O 2.75Å
502	K	86.4	Confident	84.2	Confident	26 Å²	26	52 Å²	52	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-44.3	178.2	-77.8	176.7	166.3	177.9	0	112.4	V500 N504 V505 V506 E537 T538 N540 L542 F797	V500-K502 PolarHBondContact O-N 3.4Å; K502-N504 PolarHBondContact O-N 2.83Å; K502-V505 PolarHBondContact O-N 3.14Å; K502-V506 WeakPolarHBondContact O-CG2 3.48Å; K502-V506 PolarHBondContact O-N 3.46Å; K502-V506 VanDerWaalsContact O-N 3.09Å; K502-E537 WeakPolarHBondContact CE-OE2 3.1Å; K502-E537 IonicContact NZ-OE2 2.78Å; K502-E537 PolarHBondContact NZ-OE2 3.06Å; K502-T538 WeakPolarHBondContact CE-O 3.34Å; K502-T538 PolarHBondContact NZ-O 3.46Å; K502-N540 PolarHBondContact N-O 2.83Å; K502-L542 HydrophobicContact CD-CD2 4.43Å; K502-L542 HydrophobicContact CG-CD2 4.02Å; K502-L542 HydrophobicContact CG-CG 3.97Å; K502-F797 HydrophobicContact CB-CE1 4.48Å; K502-F797 HydrophobicContact CB-CE2 4.2Å; K502-F797 HydrophobicContact CB-CZ 3.95Å; K502-F797 HydrophobicContact CD-CD2 4Å; K502-F797 HydrophobicContact CD-CE2 4.05Å; K502-F797 HydrophobicContact CD-CG 4.28Å; K502-F797 HydrophobicContact CD-CZ 4.39Å; K502-F797 HydrophobicContact CG-CD1 4.4Å; K502-F797 HydrophobicContact CG-CD2 4.42Å; K502-F797 HydrophobicContact CG-CE1 4.12Å; K502-F797 HydrophobicContact CG-CE2 4.15Å; K502-F797 HydrophobicContact CG-CZ 3.97Å
503	S	81.6	Confident	83.4	Confident	45 Å²	45	48.8 Å²	48.8	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-44.3	175.7	50.7	0	0	0	0	112.4	K501 V505 V506 L507	K501-S503 VanDerWaalsContact C-N 3.31Å; K501-S503 PolarHBondContact O-N 2.85Å; S503-V505 VanDerWaalsContact C-N 3.33Å; S503-V505 PolarHBondContact O-N 2.93Å; S503-V506 PolarHBondContact O-N 3.04Å; S503-L507 VanDerWaalsContact O-CB 3.27Å; S503-L507 WeakPolarHBondContact O-CB 3.45Å; S503-L507 WeakPolarHBondContact O-CD1 3.43Å; S503-L507 WeakPolarHBondContact O-CG 3.41Å; S503-L507 PolarHBondContact O-N 3.11Å
504	N	81.1	Confident	82.8	Confident	39 Å²	39	46.4 Å²	46.4	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-37.2	176.5	-69.2	-2.9	0	0	0	112.5	K501 K502 R508	K501-N504 HydrophobicContact CB-CB 4.02Å; K501-N504 WeakPolarHBondContact O-CB 3.47Å; K501-N504 PolarHBondContact O-N 3.25Å; K502-N504 PolarHBondContact O-N 2.83Å; N504-R508 WeakPolarHBondContact O-CB 3.1Å; N504-R508 WeakPolarHBondContact O-CG 3.35Å; N504-R508 PolarHBondContact O-N 3.14Å; N504-R508 VanDerWaalsContact O-N 3.14Å
505	V	80.2	Confident	82.1	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-45.3	177.7	177.3	0	0	0	0	111	V500 K501 K502 S503 N509 Q510 L511 V514	V500-V505 HydrophobicContact CG1-CG2 3.48Å; V500-V505 VanDerWaalsContact CG1-CG2 3.48Å; K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.33Å; K501-V505 VanDerWaalsContact O-N 3.09Å; K502-V505 PolarHBondContact O-N 3.14Å; S503-V505 VanDerWaalsContact C-N 3.33Å; S503-V505 PolarHBondContact O-N 2.93Å; V505-N509 PolarHBondContact O-N 2.96Å; V505-Q510 PolarHBondContact O-N 3.46Å; V505-L511 HydrophobicContact CG1-CB 4.17Å; V505-L511 HydrophobicContact CG1-CD1 4.01Å; V505-V514 HydrophobicContact CG1-CG2 4.32Å; V505-V514 HydrophobicContact CG2-CG2 4.04Å
506	V	77.8	Confident	81.2	Confident	65 Å²	65	46 Å²	46	39%	0.394	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-50.4	177.5	177.8	0	0	0	0	111	K502 S503 R508 N509 F797	K502-V506 WeakPolarHBondContact O-CG2 3.48Å; K502-V506 PolarHBondContact O-N 3.46Å; K502-V506 VanDerWaalsContact O-N 3.09Å; S503-V506 PolarHBondContact O-N 3.04Å; V506-R508 PolarHBondContact O-N 3.44Å; V506-R508 VanDerWaalsContact O-N 3.14Å; V506-N509 PolarHBondContact O-N 3.07Å; V506-F797 HydrophobicContact CG2-CE2 4.5Å; V506-F797 HydrophobicContact CG2-CZ 3.8Å
507	L	77.4	Confident	80.5	Confident	136 Å²	136	46 Å²	46	71%	0.712	24%	0.235	S	C	*	.	H	α-helix	trans	-61.4	-24.2	-177.8	-72.4	168.7	0	0	0	113.7	S503	S503-L507 VanDerWaalsContact O-CB 3.27Å; S503-L507 WeakPolarHBondContact O-CB 3.45Å; S503-L507 WeakPolarHBondContact O-CD1 3.43Å; S503-L507 WeakPolarHBondContact O-CG 3.41Å; S503-L507 PolarHBondContact O-N 3.11Å
508	R	74.4	Confident	80	Confident	114 Å²	114	46 Å²	46	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.3	174.8	-64.4	-179.1	179.9	165.5	4.6	114.1	A479 N504 V506 Q510	A479-R508 VanDerWaalsContact O-CZ 3.26Å; A479-R508 PolarHBondContact O-NH1 2.63Å; A479-R508 PolarHBondContact O-NH2 2.71Å; N504-R508 WeakPolarHBondContact O-CB 3.1Å; N504-R508 WeakPolarHBondContact O-CG 3.35Å; N504-R508 PolarHBondContact O-N 3.14Å; N504-R508 VanDerWaalsContact O-N 3.14Å; V506-R508 PolarHBondContact O-N 3.44Å; V506-R508 VanDerWaalsContact O-N 3.14Å; R508-Q510 VanDerWaalsContact C-N 3.3Å; R508-Q510 HydrophobicContact CB-CB 4.45Å; R508-Q510 HydrophobicContact CB-CG 3.65Å; R508-Q510 PolarHBondContact O-N 3.05Å
509	N	75.9	Confident	79.3	Confident	137 Å²	137	45.5 Å²	45.5	73%	0.733	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	43.4	-171.5	-162.7	79.9	0	0	0	113	V505 V506	V505-N509 PolarHBondContact O-N 2.96Å; V506-N509 PolarHBondContact O-N 3.07Å
510	Q	74.4	Confident	78.6	Confident	35 Å²	35	44 Å²	44	16%	0.164	23%	0.227	C	C	.	.			trans	-103.4	21.2	-177.4	-64.4	-172.3	-59.2	0	0	112.9	V505 R508 Q513 V514	V505-Q510 PolarHBondContact O-N 3.46Å; R508-Q510 VanDerWaalsContact C-N 3.3Å; R508-Q510 HydrophobicContact CB-CB 4.45Å; R508-Q510 HydrophobicContact CB-CG 3.65Å; R508-Q510 PolarHBondContact O-N 3.05Å; Q510-Q513 HydrophobicContact CB-CB 4.31Å; Q510-Q513 WeakPolarHBondContact O-CB 3.44Å; Q510-Q513 PolarHBondContact O-N 3.23Å; Q510-V514 WeakPolarHBondContact O-CG2 3.12Å; Q510-V514 PolarHBondContact O-N 3.05Å
511	L	77.4	Confident	78.4	Confident	35 Å²	35	43.7 Å²	43.7	18%	0.183	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-55.8	-175.9	-171.8	68.9	0	0	0	111.5	V505 Q513 V514 F515 I796 F797	V505-L511 HydrophobicContact CG1-CB 4.17Å; V505-L511 HydrophobicContact CG1-CD1 4.01Å; L511-Q513 PolarHBondContact O-N 3.1Å; L511-V514 PolarHBondContact O-N 2.94Å; L511-F515 HydrophobicContact CD1-CD2 3.99Å; L511-F515 HydrophobicContact CD1-CE2 3.83Å; L511-F515 HydrophobicContact CG-CD2 4.03Å; L511-F515 HydrophobicContact CG-CE2 4.17Å; L511-F515 WeakPolarHBondContact O-CB 3.48Å; L511-F515 WeakPolarHBondContact O-CD2 3.19Å; L511-F515 PolarHBondContact O-N 2.99Å; L511-I796 HydrophobicContact CD1-CG2 4.48Å; L511-I796 HydrophobicContact CD2-CG2 3.52Å; L511-F797 HydrophobicContact CD1-CD1 3.98Å; L511-F797 HydrophobicContact CD1-CE1 3.52Å; L511-F797 HydrophobicContact CD1-CZ 4.4Å
512	E	73.1	Confident	78	Confident	108 Å²	108	42.4 Å²	42.4	51%	0.505	22%	0.221	S	C	.	.	H	α-helix	trans	-55.6	-38	177	-65.1	171.6	166.1	0	0	111.7	A284 F515 A516	A284-E512 HydrophobicContact CB-CG 3.74Å; A284-E512 VanDerWaalsContact CB-OE1 3.25Å; A284-E512 WeakPolarHBondContact CB-OE1 3.15Å; A284-E512 PolarHBondContact N-OE1 3.25Å; E512-F515 PolarHBondContact O-N 3.35Å; E512-A516 WeakPolarHBondContact O-CB 3.38Å; E512-A516 PolarHBondContact O-N 2.98Å
513	Q	73.5	Confident	77.2	Confident	51 Å²	51	41.5 Å²	41.5	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-49.5	178.8	-177.4	-180	-1.7	0	0	112.4	Q510 L511 F515 A516 E517 G612	Q510-Q513 HydrophobicContact CB-CB 4.31Å; Q510-Q513 WeakPolarHBondContact O-CB 3.44Å; Q510-Q513 PolarHBondContact O-N 3.23Å; L511-Q513 PolarHBondContact O-N 3.1Å; Q513-F515 VanDerWaalsContact C-N 3.3Å; Q513-F515 PolarHBondContact O-N 2.91Å; Q513-A516 PolarHBondContact O-N 3.43Å; Q513-E517 PolarHBondContact O-N 2.99Å; Q513-G612 VanDerWaalsContact CD-O 3.3Å; Q513-G612 WeakPolarHBondContact CG-O 3.29Å; Q513-G612 PolarHBondContact NE2-O 3.24Å
514	V	77.2	Confident	76.9	Confident	13 Å²	13	39.9 Å²	39.9	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-34.1	176.5	172.2	0	0	0	0	111.6	V500 V505 Q510 L511 R518 L542 F800	V500-V514 HydrophobicContact CG1-CG2 4.44Å; V505-V514 HydrophobicContact CG1-CG2 4.32Å; V505-V514 HydrophobicContact CG2-CG2 4.04Å; Q510-V514 WeakPolarHBondContact O-CG2 3.12Å; Q510-V514 PolarHBondContact O-N 3.05Å; L511-V514 PolarHBondContact O-N 2.94Å; V514-R518 PolarHBondContact O-N 3.22Å; V514-L542 HydrophobicContact CG1-CD1 3.91Å; V514-F800 HydrophobicContact CG1-CE2 3.91Å
515	F	78	Confident	76.7	Confident	9 Å²	9	42.2 Å²	42.2	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-36	173.3	-96.2	-84.1	0	0	0	112.5	R307 L511 E512 Q513 D519 S799 F800	R307-F515 PolarHBondContact NH2-O 3.48Å; L511-F515 HydrophobicContact CD1-CD2 3.99Å; L511-F515 HydrophobicContact CD1-CE2 3.83Å; L511-F515 HydrophobicContact CG-CD2 4.03Å; L511-F515 HydrophobicContact CG-CE2 4.17Å; L511-F515 WeakPolarHBondContact O-CB 3.48Å; L511-F515 WeakPolarHBondContact O-CD2 3.19Å; L511-F515 PolarHBondContact O-N 2.99Å; E512-F515 PolarHBondContact O-N 3.35Å; Q513-F515 VanDerWaalsContact C-N 3.3Å; Q513-F515 PolarHBondContact O-N 2.91Å; F515-D519 PolarHBondContact O-N 2.86Å; F515-S799 WeakPolarHBondContact CZ-OG 3.4Å; F515-F800 HydrophobicContact CE1-CB 4.2Å; F515-F800 HydrophobicContact CE1-CD2 4.32Å; F515-F800 HydrophobicContact CE2-CB 4.48Å; F515-F800 HydrophobicContact CE2-CD2 4.34Å; F515-F800 HydrophobicContact CZ-CB 3.82Å; F515-F800 HydrophobicContact CZ-CD2 4.22Å
516	A	74.4	Confident	76.9	Confident	34 Å²	34	43.2 Å²	43.2	28%	0.281	22%	0.223	S	C	.	.	H	α-helix	trans	-69.5	-40.6	175.8	0	0	0	0	0	111.8	E512 Q513 R518 D519 I520	E512-A516 WeakPolarHBondContact O-CB 3.38Å; E512-A516 PolarHBondContact O-N 2.98Å; Q513-A516 PolarHBondContact O-N 3.43Å; A516-R518 VanDerWaalsContact C-N 3.32Å; A516-R518 PolarHBondContact O-N 3.07Å; A516-D519 PolarHBondContact O-N 3.27Å; A516-I520 WeakPolarHBondContact O-CG1 3.34Å; A516-I520 PolarHBondContact O-N 3.47Å
517	E	80.9	Confident	77.5	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-53.4	-50	172.9	-171.2	-171.3	153.4	0	0	110.9	K498 Q513 D519 L521 L544 F611 G612	K498-E517 IonicContact NZ-OE1 2.75Å; K498-E517 PolarHBondContact NZ-OE1 3.06Å; K498-E517 IonicContact NZ-OE2 3.69Å; K498-E517 PolarHBondContact NZ-OE2 2.97Å; Q513-E517 PolarHBondContact O-N 2.99Å; E517-D519 PolarHBondContact O-N 2.94Å; E517-L521 HydrophobicContact CG-CD1 3.93Å; E517-L521 VanDerWaalsContact O-CB 3.29Å; E517-L521 WeakPolarHBondContact O-CB 3.25Å; E517-L521 WeakPolarHBondContact O-CD1 3.46Å; E517-L521 VanDerWaalsContact O-CG 3.31Å; E517-L521 WeakPolarHBondContact O-CG 3.47Å; E517-L521 PolarHBondContact O-N 2.79Å; E517-L544 HydrophobicContact CG-CD1 4.25Å; E517-L544 WeakPolarHBondContact OE1-CD1 3.49Å; E517-F611 HydrophobicContact CG-CB 4.1Å; E517-G612 WeakPolarHBondContact OE2-CA 3.41Å
518	R	81.1	Confident	78.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-45.1	177.9	-175.9	-157.1	69.8	166.5	-1.7	112.5	I301 V514 A516 T522 F532 S535 L544 S799 F800	I301-R518 PolarHBondContact O-NH2 3.34Å; I301-R518 VanDerWaalsContact O-NH2 3.14Å; V514-R518 PolarHBondContact O-N 3.22Å; A516-R518 VanDerWaalsContact C-N 3.32Å; A516-R518 PolarHBondContact O-N 3.07Å; R518-T522 WeakPolarHBondContact O-CB 3.27Å; R518-T522 PolarHBondContact O-N 2.87Å; R518-T522 PolarHBondContact O-OG1 2.84Å; R518-F532 HydrophobicContact CG-CZ 4.13Å; R518-S535 WeakPolarHBondContact CD-OG 3.34Å; R518-L544 HydrophobicContact CB-CD2 4.14Å; R518-L544 HydrophobicContact CG-CD2 4.19Å; R518-S799 PolarHBondContact NH1-O 3.4Å; R518-F800 HydrophobicContact CB-CE2 4.42Å; R518-F800 VanDerWaalsContact CD-O 3.24Å; R518-F800 WeakPolarHBondContact CD-O 3.34Å; R518-F800 PolarHBondContact NH1-O 3.41Å
519	D	77.7	Confident	79.1	Confident	10 Å²	10	31.9 Å²	31.9	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-72.2	-44.3	-174.9	-78.7	27.3	0	0	0	112.2	G304 R307 F308 F515 A516 E517 L521 T522 F523	G304-D519 VanDerWaalsContact CA-OD1 3.3Å; G304-D519 WeakPolarHBondContact CA-OD1 3.36Å; R307-D519 WeakPolarHBondContact CB-OD2 3.38Å; R307-D519 IonicContact CZ-OD1 2.73Å; R307-D519 IonicContact CZ-OD2 3.7Å; R307-D519 IonicContact NE-OD1 2.64Å; R307-D519 IonicContact NE-OD2 2.64Å; R307-D519 PolarHBondContact NE-OD2 3.03Å; R307-D519 IonicContact NH2-OD1 3.8Å; R307-D519 PolarHBondContact NH2-OD1 3.45Å; R307-D519 IonicContact NH2-OD2 2.65Å; R307-D519 PolarHBondContact NH2-OD2 3.02Å; F308-D519 HydrophobicContact CB-CB 4.32Å; F515-D519 PolarHBondContact O-N 2.86Å; A516-D519 PolarHBondContact O-N 3.27Å; E517-D519 PolarHBondContact O-N 2.94Å; D519-L521 VanDerWaalsContact C-N 3.29Å; D519-L521 PolarHBondContact O-N 2.96Å; D519-T522 WeakPolarHBondContact O-CB 3.47Å; D519-T522 PolarHBondContact O-N 2.8Å; D519-T522 VanDerWaalsContact O-N 3.1Å; D519-F523 PolarHBondContact O-N 2.91Å; D519-F523 VanDerWaalsContact O-N 3.13Å
520	I	76.2	Confident	79.8	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-55.1	-48.5	173.1	-73.1	168	0	0	0	109.8	A516 F523 S524 I588 F611 V616	A516-I520 WeakPolarHBondContact O-CG1 3.34Å; A516-I520 PolarHBondContact O-N 3.47Å; I520-F523 PolarHBondContact O-N 2.86Å; I520-S524 PolarHBondContact O-N 3.04Å; I520-I588 HydrophobicContact CB-CD1 4.5Å; I520-I588 HydrophobicContact CD1-CG2 3.92Å; I520-I588 HydrophobicContact CG1-CD1 4.03Å; I520-I588 HydrophobicContact CG1-CG1 4.32Å; I520-I588 HydrophobicContact CG1-CG2 4.4Å; I520-I588 HydrophobicContact CG2-CD1 4.08Å; I520-I588 HydrophobicContact CG2-CG2 4.44Å; I520-F611 HydrophobicContact CG2-CB 4.05Å; I520-F611 HydrophobicContact CG2-CD1 3.93Å; I520-F611 HydrophobicContact CG2-CD2 4.44Å; I520-F611 HydrophobicContact CG2-CG 3.85Å; I520-V616 HydrophobicContact CD1-CG2 4.38Å; I520-V616 HydrophobicContact CG1-CG2 4.39Å
521	L	82.4	Confident	80.6	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-43.8	174.8	-80.8	170.2	0	0	0	112.4	E517 D519 F523 S524 F532 L544 L546 F611	E517-L521 HydrophobicContact CG-CD1 3.93Å; E517-L521 VanDerWaalsContact O-CB 3.29Å; E517-L521 WeakPolarHBondContact O-CB 3.25Å; E517-L521 WeakPolarHBondContact O-CD1 3.46Å; E517-L521 VanDerWaalsContact O-CG 3.31Å; E517-L521 WeakPolarHBondContact O-CG 3.47Å; E517-L521 PolarHBondContact O-N 2.79Å; D519-L521 VanDerWaalsContact C-N 3.29Å; D519-L521 PolarHBondContact O-N 2.96Å; L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 3.19Å; L521-S524 PolarHBondContact O-N 2.9Å; L521-S524 VanDerWaalsContact O-N 3.14Å; L521-S524 PolarHBondContact O-OG 3.14Å; L521-F532 HydrophobicContact CB-CB 3.82Å; L521-F532 HydrophobicContact CB-CD2 3.76Å; L521-F532 HydrophobicContact CB-CE2 4.42Å; L521-F532 HydrophobicContact CB-CG 3.81Å; L521-F532 HydrophobicContact CD1-CD2 4.17Å; L521-F532 HydrophobicContact CD2-CB 4.31Å; L521-F532 HydrophobicContact CG-CD2 4.48Å; L521-F532 WeakPolarHBondContact O-CB 3.33Å; L521-L544 HydrophobicContact CD1-CD1 4.14Å; L521-L546 HydrophobicContact CD1-CD2 3.9Å; L521-L546 HydrophobicContact CD2-CD2 4.13Å; L521-F611 HydrophobicContact CD2-CD2 3.6Å; L521-F611 HydrophobicContact CD2-CE2 3.82Å; L521-F611 HydrophobicContact CG-CD2 3.9Å
522	T	76.3	Confident	81.2	Confident	17 Å²	17	22.8 Å²	22.8	10%	0.104	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-34.4	-179.1	-58.7	0	0	0	0	112.7	C305 R518 D519 F532	C305-T522 HydrophobicContact CB-CG2 4.08Å; R518-T522 WeakPolarHBondContact O-CB 3.27Å; R518-T522 PolarHBondContact O-N 2.87Å; R518-T522 PolarHBondContact O-OG1 2.84Å; D519-T522 WeakPolarHBondContact O-CB 3.47Å; D519-T522 PolarHBondContact O-N 2.8Å; D519-T522 VanDerWaalsContact O-N 3.1Å; T522-F532 HydrophobicContact CG2-CE1 4.42Å; T522-F532 WeakPolarHBondContact OG1-CE1 3.33Å
523	F	70.5	Confident	81.9	Confident	7 Å²	7	19 Å²	19	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-85.5	-19.2	179.2	-153.2	-102.1	0	0	0	113.9	C305 F308 V309 E347 K351 D519 I520 L521 D525 Y586	C305-F523 VanDerWaalsContact SG-CD2 3.51Å; F308-F523 HydrophobicContact CD1-CB 3.91Å; F308-F523 HydrophobicContact CD1-CD1 4.09Å; F308-F523 AromaticContact CD1-CD2 3.7Å; F308-F523 HydrophobicContact CD1-CD2 3.7Å; F308-F523 HydrophobicContact CD1-CE2 4.17Å; F308-F523 AromaticContact CD1-CG 3.65Å; F308-F523 HydrophobicContact CD1-CG 3.65Å; F308-F523 HydrophobicContact CE1-CB 4.17Å; F308-F523 AromaticContact CE1-CD1 3.77Å; F308-F523 HydrophobicContact CE1-CD1 3.77Å; F308-F523 HydrophobicContact CE1-CD2 4.23Å; F308-F523 HydrophobicContact CE1-CE1 4.15Å; F308-F523 AromaticContact CE1-CG 3.81Å; F308-F523 HydrophobicContact CE1-CG 3.81Å; V309-F523 HydrophobicContact CG2-CE2 3.99Å; E347-F523 HydrophobicContact CB-CZ 3.91Å; E347-F523 WeakPolarHBondContact OE2-CE1 3.35Å; E347-F523 WeakPolarHBondContact OE2-CZ 3.35Å; K351-F523 HydrophobicContact CB-CE2 4.44Å; K351-F523 HydrophobicContact CD-CD1 4.37Å; K351-F523 HydrophobicContact CD-CD2 3.73Å; K351-F523 HydrophobicContact CD-CE1 4.16Å; K351-F523 HydrophobicContact CD-CE2 3.49Å; K351-F523 VanDerWaalsContact CD-CE2 3.49Å; K351-F523 HydrophobicContact CD-CG 4.18Å; K351-F523 HydrophobicContact CD-CZ 3.73Å; K351-F523 PolarHBondContact NZ-O 2.84Å; D519-F523 PolarHBondContact O-N 2.91Å; D519-F523 VanDerWaalsContact O-N 3.13Å; I520-F523 PolarHBondContact O-N 2.86Å; L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 3.19Å; F523-D525 PolarHBondContact O-N 3.36Å; F523-Y586 HydrophobicContact CD1-CD1 4.49Å; F523-Y586 HydrophobicContact CD1-CE1 4.25Å; F523-Y586 HydrophobicContact CE1-CD1 4.1Å; F523-Y586 AromaticContact CE1-CE1 3.58Å; F523-Y586 HydrophobicContact CE1-CE1 3.58Å; F523-Y586 AromaticContact CE1-CZ 3.87Å
524	S	74.5	Confident	82.5	Confident	11 Å²	11	16.6 Å²	16.6	8%	0.077	10%	0.096	C	C	.	.			trans	-71.4	121.2	-170.2	69.9	0	0	0	0	113.4	I520 L521	I520-S524 PolarHBondContact O-N 3.04Å; L521-S524 PolarHBondContact O-N 2.9Å; L521-S524 VanDerWaalsContact O-N 3.14Å; L521-S524 PolarHBondContact O-OG 3.14Å
525	D	78	Confident	83	Confident	88 Å²	88	16 Å²	16	47%	0.471	9%	0.093	S	C	.	.			trans	-138.5	89.8	164.8	-167.5	-1	0	0	0	108.5	F523 Y582 R806	F523-D525 PolarHBondContact O-N 3.36Å; D525-Y582 PolarHBondContact N-OH 2.84Å; D525-Y582 PolarHBondContact O-OH 3.24Å; D525-R806 VanDerWaalsContact CG-CZ 3.44Å; D525-R806 IonicContact OD1-CZ 2.65Å; D525-R806 IonicContact OD1-NH1 3.19Å; D525-R806 PolarHBondContact OD1-NH1 3.31Å; D525-R806 IonicContact OD1-NH2 2.94Å; D525-R806 PolarHBondContact OD1-NH2 3.02Å; D525-R806 IonicContact OD2-CZ 2.65Å; D525-R806 IonicContact OD2-NH1 2.84Å; D525-R806 IonicContact OD2-NH2 3.03Å; D525-R806 PolarHBondContact OD2-NH2 3.43Å
526	N	84.8	Confident	83.6	Confident	24 Å²	24	15.7 Å²	15.7	13%	0.128	9%	0.092	C	C	.	.			trans	-144.2	136.3	177.6	-174.9	-67.6	0	0	0	109.3	F528 V529 Y582	N526-F528 PolarHBondContact O-N 3.42Å; N526-F528 WeakPolarHBondContact OD1-CB 3.39Å; N526-F528 WeakPolarHBondContact OD1-CD2 3.27Å; N526-F528 PolarHBondContact OD1-N 3Å; N526-V529 HydrophobicContact CB-CB 4.19Å; N526-V529 HydrophobicContact CB-CG2 4.11Å; N526-V529 PolarHBondContact O-N 2.92Å; N526-V529 VanDerWaalsContact O-N 3.13Å; N526-Y582 HydrophobicContact CB-CD1 3.72Å; N526-Y582 HydrophobicContact CB-CD2 3.89Å; N526-Y582 HydrophobicContact CB-CE1 3.71Å; N526-Y582 HydrophobicContact CB-CE2 3.83Å; N526-Y582 HydrophobicContact CB-CG 3.82Å; N526-Y582 VanDerWaalsContact ND2-CB 3.3Å; N526-Y582 WeakPolarHBondContact ND2-CB 3.36Å; N526-Y582 WeakPolarHBondContact ND2-CD2 3.29Å
527	P	89.8	Confident	84.2	Confident	64 Å²	64	17.1 Å²	17.1	42%	0.416	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14	-178.2	26.8	-35.8	0	0	0	115.1	K607 L753	P527-K607 WeakPolarHBondContact O-CE 3.24Å; P527-L753 HydrophobicContact CB-CD1 3.58Å; P527-L753 HydrophobicContact CB-CD2 4.24Å; P527-L753 HydrophobicContact CG-CD1 3.49Å; P527-L753 VanDerWaalsContact CG-CD1 3.49Å
528	F	92.4	Very high	84.5	Confident	12 Å²	12	17.8 Å²	17.8	5%	0.053	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	14.7	176.2	-50.5	-71.9	0	0	0	112.8	N526 E575 L578 A579 K607 L608 L752 L753	N526-F528 PolarHBondContact O-N 3.42Å; N526-F528 WeakPolarHBondContact OD1-CB 3.39Å; N526-F528 WeakPolarHBondContact OD1-CD2 3.27Å; N526-F528 PolarHBondContact OD1-N 3Å; F528-E575 HydrophobicContact CD1-CB 3.78Å; F528-E575 HydrophobicContact CD1-CG 3.96Å; F528-E575 HydrophobicContact CE1-CB 3.94Å; F528-E575 HydrophobicContact CE1-CG 3.6Å; F528-E575 HydrophobicContact CZ-CG 4.46Å; F528-L578 HydrophobicContact CD2-CB 3.67Å; F528-L578 HydrophobicContact CD2-CD1 4.22Å; F528-L578 HydrophobicContact CE2-CB 3.79Å; F528-L578 HydrophobicContact CE2-CD1 3.43Å; F528-L578 VanDerWaalsContact CE2-CD1 3.43Å; F528-L578 HydrophobicContact CE2-CG 4.26Å; F528-L578 HydrophobicContact CG-CB 4.45Å; F528-L578 HydrophobicContact CZ-CD1 3.81Å; F528-A579 HydrophobicContact CB-CB 3.93Å; F528-K607 WeakPolarHBondContact O-CA 3.24Å; F528-L608 PolarHBondContact O-N 2.86Å; F528-L752 HydrophobicContact CZ-CB 4.38Å; F528-L753 HydrophobicContact CD1-CD2 4.37Å; F528-L753 HydrophobicContact CE1-CD2 3.54Å; F528-L753 HydrophobicContact CE1-CG 3.97Å; F528-L753 HydrophobicContact CE2-CD1 4.33Å; F528-L753 HydrophobicContact CE2-CG 4.5Å; F528-L753 HydrophobicContact CZ-CD1 3.95Å; F528-L753 HydrophobicContact CZ-CD2 3.76Å; F528-L753 HydrophobicContact CZ-CG 3.65Å
529	V	92.3	Very high	84.7	Confident	1 Å²	1	27 Å²	27	1%	0.006	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-123.9	144.5	174.9	170.2	0	0	0	0	109.1	N526 S531 Y582 F611	N526-V529 HydrophobicContact CB-CB 4.19Å; N526-V529 HydrophobicContact CB-CG2 4.11Å; N526-V529 PolarHBondContact O-N 2.92Å; N526-V529 VanDerWaalsContact O-N 3.13Å; V529-S531 PolarHBondContact O-N 3.21Å; V529-Y582 HydrophobicContact CG2-CD1 4.4Å; V529-F611 HydrophobicContact CG1-CE2 3.79Å; V529-F611 HydrophobicContact CG1-CZ 3.6Å; V529-F611 HydrophobicContact CG2-CZ 4.32Å
530	V	92.3	Very high	85.1	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.162	C	C	.	.			trans	-66.1	122.2	174	170.8	0	0	0	0	110.5	L546 E547 V549 L599 K607 L608	V530-L546 HydrophobicContact CG1-CB 4.01Å; V530-E547 HydrophobicContact CG1-CB 4.12Å; V530-V549 HydrophobicContact CG2-CG2 4.2Å; V530-L599 HydrophobicContact CG2-CD1 4.17Å; V530-K607 HydrophobicContact CG2-CB 4.01Å; V530-L608 PolarHBondContact N-O 2.85Å
531	S	90.3	Very high	85.7	Confident	12 Å²	12	33.7 Å²	33.7	8%	0.084	17%	0.171	C	C	.	.			trans	-71	143.2	-175.5	-46.7	0	0	0	0	112.8	V529 L546 E547	V529-S531 PolarHBondContact O-N 3.21Å; S531-L546 CarbonylContact O-C 3.53Å; S531-L546 WeakPolarHBondContact O-CA 3.48Å; S531-E547 VanDerWaalsContact CB-OE2 3.26Å; S531-E547 WeakPolarHBondContact CB-OE2 2.85Å; S531-E547 PolarHBondContact N-OE2 3.28Å; S531-E547 PolarHBondContact O-N 3.14Å; S531-E547 PolarHBondContact OG-OE2 3.01Å
532	F	89.2	Confident	86	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	176	177.7	-100.7	0	0	0	112.5	R518 L521 T522 G534 L544 L546 S804	R518-F532 HydrophobicContact CG-CZ 4.13Å; L521-F532 HydrophobicContact CB-CB 3.82Å; L521-F532 HydrophobicContact CB-CD2 3.76Å; L521-F532 HydrophobicContact CB-CE2 4.42Å; L521-F532 HydrophobicContact CB-CG 3.81Å; L521-F532 HydrophobicContact CD1-CD2 4.17Å; L521-F532 HydrophobicContact CD2-CB 4.31Å; L521-F532 HydrophobicContact CG-CD2 4.48Å; L521-F532 WeakPolarHBondContact O-CB 3.33Å; T522-F532 HydrophobicContact CG2-CE1 4.42Å; T522-F532 WeakPolarHBondContact OG1-CE1 3.33Å; F532-G534 VanDerWaalsContact CE2-C 3.48Å; F532-G534 WeakPolarHBondContact CE2-O 3.48Å; F532-G534 VanDerWaalsContact CZ-CA 3.46Å; F532-G534 WeakPolarHBondContact CZ-O 2.95Å; F532-L544 HydrophobicContact CE2-CB 4.46Å; F532-L544 HydrophobicContact CE2-CD2 4.04Å; F532-L546 HydrophobicContact CD2-CD2 3.89Å; F532-S804 WeakPolarHBondContact O-CB 3.24Å; F532-S804 PolarHBondContact O-OG 3.24Å
533	Y	87.5	Confident	86.7	Confident	28 Å²	28	32.8 Å²	32.8	11%	0.11	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-30.9	-179.9	-67.8	-79	0	0	0	112.9	F495 L545 E547 S804 R806 Y807 L810	F495-Y533 AromaticContact CD1-CD2 3.6Å; F495-Y533 HydrophobicContact CD1-CD2 3.6Å; F495-Y533 AromaticContact CD1-CE2 3.89Å; F495-Y533 HydrophobicContact CD1-CE2 3.89Å; F495-Y533 HydrophobicContact CD1-CG 4.06Å; F495-Y533 AromaticContact CE1-CD1 3.98Å; F495-Y533 HydrophobicContact CE1-CD1 3.98Å; F495-Y533 AromaticContact CE1-CD2 3.64Å; F495-Y533 HydrophobicContact CE1-CD2 3.64Å; F495-Y533 HydrophobicContact CE1-CE1 4.15Å; F495-Y533 AromaticContact CE1-CE2 3.8Å; F495-Y533 HydrophobicContact CE1-CE2 3.8Å; F495-Y533 AromaticContact CE1-CG 3.72Å; F495-Y533 HydrophobicContact CE1-CG 3.72Å; Y533-L545 PolarHBondContact N-O 2.88Å; Y533-E547 HydrophobicContact CE2-CB 4.08Å; Y533-S804 PolarHBondContact O-N 3.44Å; Y533-S804 PolarHBondContact O-OG 2.92Å; Y533-R806 HydrophobicContact CD1-CB 4.35Å; Y533-R806 HydrophobicContact CE1-CB 4.32Å; Y533-Y807 HydrophobicContact CD1-CD2 4.39Å; Y533-Y807 VanDerWaalsContact O-CB 3.31Å; Y533-Y807 WeakPolarHBondContact O-CB 3.3Å; Y533-L810 HydrophobicContact CD1-CD1 3.9Å; Y533-L810 HydrophobicContact CE1-CD1 3.62Å
534	G	87.4	Confident	87.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	179.4	175.4	0	0	0	0	0	112.9	F532 L545 S802	F532-G534 VanDerWaalsContact CE2-C 3.48Å; F532-G534 WeakPolarHBondContact CE2-O 3.48Å; F532-G534 VanDerWaalsContact CZ-CA 3.46Å; F532-G534 WeakPolarHBondContact CZ-O 2.95Å; G534-L545 PolarHBondContact N-O 3.36Å; G534-L545 WeakPolarHBondContact O-CB 3.39Å; G534-L545 PolarHBondContact O-N 3.06Å; G534-S802 CarbonylContact C-O 3.58Å; G534-S802 WeakPolarHBondContact CA-O 3.33Å
535	S	88.3	Confident	88.5	Confident	1 Å²	1	32 Å²	32	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.6	177.7	59.9	0	0	0	0	110.4	R518 C543 F800 S801 S802	R518-S535 WeakPolarHBondContact CD-OG 3.34Å; S535-C543 CarbonylContact C-O 3.54Å; S535-C543 WeakPolarHBondContact CA-O 3.48Å; S535-C543 WeakPolarHBondContact CB-O 3.41Å; S535-F800 PolarHBondContact OG-O 2.92Å; S535-S801 CarbonylContact O-C 3.52Å; S535-S801 VanDerWaalsContact O-CA 3.29Å; S535-S801 WeakPolarHBondContact O-CA 3.45Å; S535-S802 PolarHBondContact N-O 3.44Å; S535-S802 PolarHBondContact O-N 3.31Å; S535-S802 PolarHBondContact OG-N 3.2Å; S535-S802 PolarHBondContact OG-OG 3.24Å
536	F	89.2	Confident	89.2	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.013	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.9	176.3	58.8	-94.3	0	0	0	110.4	L464 E466 F469 L497 T538 C543 F800	L464-F536 HydrophobicContact CB-CB 4.28Å; L464-F536 HydrophobicContact CB-CD1 3.75Å; L464-F536 HydrophobicContact CB-CG 4.35Å; L464-F536 WeakPolarHBondContact O-CB 3.36Å; E466-F536 HydrophobicContact CB-CE2 3.88Å; E466-F536 HydrophobicContact CB-CZ 4.37Å; F469-F536 HydrophobicContact CE2-CE1 4.2Å; L497-F536 HydrophobicContact CD1-CE1 3.84Å; L497-F536 HydrophobicContact CD1-CZ 3.76Å; L497-F536 HydrophobicContact CD2-CZ 4.12Å; F536-T538 HydrophobicContact CD2-CG2 4.23Å; F536-T538 HydrophobicContact CE2-CG2 4.03Å; F536-C543 HydrophobicContact CD1-CB 4.36Å; F536-C543 HydrophobicContact CD2-CB 3.79Å; F536-C543 HydrophobicContact CE1-CB 4.15Å; F536-C543 HydrophobicContact CE2-CB 3.52Å; F536-C543 HydrophobicContact CG-CB 4.21Å; F536-C543 HydrophobicContact CZ-CB 3.74Å; F536-C543 PolarHBondContact N-O 3.09Å; F536-C543 WeakPolarHBondContact O-CA 3.46Å; F536-C543 WeakPolarHBondContact O-CB 3.07Å; F536-C543 PolarHBondContact O-N 3.41Å; F536-F800 WeakPolarHBondContact O-CE1 3.19Å
537	E	87.9	Confident	89.6	Confident	63 Å²	63	29.1 Å²	29.1	29%	0.294	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	152.3	170.2	63.5	167.5	173.5	0	0	112.6	K502 L542 F797 S801	K502-E537 WeakPolarHBondContact CE-OE2 3.1Å; K502-E537 IonicContact NZ-OE2 2.78Å; K502-E537 PolarHBondContact NZ-OE2 3.06Å; E537-L542 HydrophobicContact CB-CD2 4.04Å; E537-F797 WeakPolarHBondContact OE2-CB 3.49Å; E537-S801 PolarHBondContact N-OG 2.71Å
538	T	86.7	Confident	89.8	Confident	22 Å²	22	26.7 Å²	26.7	14%	0.135	13%	0.127	C	C	.	.			trans	-117.7	-178.6	166.8	66.3	0	0	0	0	108.2	E466 K502 F536 N540 H541	E466-T538 HydrophobicContact CB-CG2 4.19Å; E466-T538 WeakPolarHBondContact OE2-CG2 3.34Å; K502-T538 WeakPolarHBondContact CE-O 3.34Å; K502-T538 PolarHBondContact NZ-O 3.46Å; F536-T538 HydrophobicContact CD2-CG2 4.23Å; F536-T538 HydrophobicContact CE2-CG2 4.03Å; T538-N540 VanDerWaalsContact C-N 3.26Å; T538-N540 PolarHBondContact O-N 3.27Å; T538-H541 PolarHBondContact N-O 2.95Å; T538-H541 WeakPolarHBondContact OG1-CA 3.39Å; T538-H541 WeakPolarHBondContact OG1-CB 3.41Å; T538-H541 PolarHBondContact OG1-N 3.21Å; T538-H541 PolarHBondContact OG1-O 2.97Å
539	K	85.9	Confident	89.8	Confident	193 Å²	193	26.3 Å²	26.3	84%	0.839	13%	0.125	S	C	*	.	S	Bend	trans	-54.4	-43.7	174.9	-64.7	-177.3	-179.5	179.6	0	112.2
540	N	85.6	Confident	89.8	Confident	110 Å²	110	28.2 Å²	28.2	59%	0.588	13%	0.134	S	C	*	.	S	Bend	trans	-114.7	-15.8	-168.5	-61.1	-2.3	0	0	0	114.1	K502 T538	K502-N540 PolarHBondContact N-O 2.83Å; T538-N540 VanDerWaalsContact C-N 3.26Å; T538-N540 PolarHBondContact O-N 3.27Å
541	H	88.4	Confident	89.7	Confident	44 Å²	44	28.3 Å²	28.3	20%	0.204	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.4	-173.3	-51.5	99.9	0	0	0	112.9	V500 T538	V500-H541 CarbonylContact O-C 3.55Å; V500-H541 WeakPolarHBondContact O-CA 3.32Å; T538-H541 PolarHBondContact N-O 2.95Å; T538-H541 WeakPolarHBondContact OG1-CA 3.39Å; T538-H541 WeakPolarHBondContact OG1-CB 3.41Å; T538-H541 PolarHBondContact OG1-N 3.21Å; T538-H541 PolarHBondContact OG1-O 2.97Å
542	L	89	Confident	89.7	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.1	157.6	-58	-178.3	0	0	0	108	V500 K502 V514 E537 F797 F800	V500-L542 PolarHBondContact N-O 2.88Å; V500-L542 PolarHBondContact O-N 3.19Å; K502-L542 HydrophobicContact CD-CD2 4.43Å; K502-L542 HydrophobicContact CG-CD2 4.02Å; K502-L542 HydrophobicContact CG-CG 3.97Å; V514-L542 HydrophobicContact CG1-CD1 3.91Å; E537-L542 HydrophobicContact CB-CD2 4.04Å; L542-F797 HydrophobicContact CD1-CD1 3.93Å; L542-F797 HydrophobicContact CD1-CE1 3.97Å; L542-F797 HydrophobicContact CD2-CB 4.28Å; L542-F797 HydrophobicContact CD2-CD1 3.71Å; L542-F797 HydrophobicContact CD2-CE1 4.36Å; L542-F797 HydrophobicContact CD2-CG 4.23Å; L542-F797 HydrophobicContact CG-CD1 4.26Å; L542-F797 HydrophobicContact CG-CE1 4.45Å; L542-F800 HydrophobicContact CB-CD1 4.19Å; L542-F800 HydrophobicContact CB-CE1 3.72Å; L542-F800 HydrophobicContact CB-CE2 4.2Å; L542-F800 HydrophobicContact CB-CZ 3.72Å; L542-F800 HydrophobicContact CD1-CD2 4.15Å; L542-F800 HydrophobicContact CD1-CE2 4.19Å; L542-F800 HydrophobicContact CD1-CG 4.48Å; L542-F800 HydrophobicContact CD2-CB 4.26Å; L542-F800 HydrophobicContact CD2-CD1 3.81Å; L542-F800 HydrophobicContact CD2-CD2 4.38Å; L542-F800 HydrophobicContact CD2-CE1 4.24Å; L542-F800 HydrophobicContact CD2-CG 3.88Å; L542-F800 HydrophobicContact CG-CD1 4.48Å; L542-F800 HydrophobicContact CG-CE1 4.47Å
543	C	91	Very high	89.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.3	-172.5	-64.9	0	0	0	0	111.4	L497 K498 S535 F536	L497-C543 HydrophobicContact CD1-CB 3.99Å; K498-C543 WeakPolarHBondContact O-CA 3.36Å; S535-C543 CarbonylContact C-O 3.54Å; S535-C543 WeakPolarHBondContact CA-O 3.48Å; S535-C543 WeakPolarHBondContact CB-O 3.41Å; F536-C543 HydrophobicContact CD1-CB 4.36Å; F536-C543 HydrophobicContact CD2-CB 3.79Å; F536-C543 HydrophobicContact CE1-CB 4.15Å; F536-C543 HydrophobicContact CE2-CB 3.52Å; F536-C543 HydrophobicContact CG-CB 4.21Å; F536-C543 HydrophobicContact CZ-CB 3.74Å; F536-C543 PolarHBondContact N-O 3.09Å; F536-C543 WeakPolarHBondContact O-CA 3.46Å; F536-C543 WeakPolarHBondContact O-CB 3.07Å; F536-C543 PolarHBondContact O-N 3.41Å
544	L	90.5	Very high	90.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.1	172.2	-54.9	173.1	0	0	0	109.2	L497 K498 E517 R518 L521 F532 L546 F800	L497-L544 WeakPolarHBondContact CA-O 3.46Å; K498-L544 HydrophobicContact CB-CB 4.36Å; K498-L544 HydrophobicContact CD-CD1 4.33Å; K498-L544 PolarHBondContact N-O 3.14Å; K498-L544 PolarHBondContact O-N 3.46Å; E517-L544 HydrophobicContact CG-CD1 4.25Å; E517-L544 WeakPolarHBondContact OE1-CD1 3.49Å; R518-L544 HydrophobicContact CB-CD2 4.14Å; R518-L544 HydrophobicContact CG-CD2 4.19Å; L521-L544 HydrophobicContact CD1-CD1 4.14Å; F532-L544 HydrophobicContact CE2-CB 4.46Å; F532-L544 HydrophobicContact CE2-CD2 4.04Å; L544-L546 HydrophobicContact CB-CD2 4.39Å; L544-L546 HydrophobicContact CB-CG 4.49Å; L544-F800 HydrophobicContact CD2-CE1 4.4Å; L544-F800 HydrophobicContact CD2-CE2 4.15Å; L544-F800 HydrophobicContact CD2-CZ 3.51Å; L544-F800 HydrophobicContact CG-CZ 4.27Å
545	L	92.2	Very high	90.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.6	178.4	-172.3	74.6	0	0	0	109.7	L464 F469 V486 F495 L497 Y533 G534 Y807	L464-L545 HydrophobicContact CD1-CD2 4.19Å; L464-L545 HydrophobicContact CD2-CD2 4.27Å; F469-L545 HydrophobicContact CD1-CD1 4.31Å; F469-L545 HydrophobicContact CE1-CD1 3.76Å; F469-L545 HydrophobicContact CE1-CD2 3.91Å; F469-L545 HydrophobicContact CE2-CD1 4.42Å; F469-L545 HydrophobicContact CE2-CD2 4.33Å; F469-L545 HydrophobicContact CZ-CD1 3.84Å; F469-L545 HydrophobicContact CZ-CD2 3.46Å; F469-L545 VanDerWaalsContact CZ-CD2 3.46Å; F469-L545 HydrophobicContact CZ-CG 4.32Å; V486-L545 HydrophobicContact CG2-CD1 4.11Å; F495-L545 HydrophobicContact CB-CD1 3.54Å; F495-L545 HydrophobicContact CB-CG 4.15Å; F495-L545 HydrophobicContact CD1-CD1 4.49Å; F495-L545 HydrophobicContact CD1-CD2 4.49Å; F495-L545 HydrophobicContact CD1-CG 4.27Å; F495-L545 HydrophobicContact CD2-CD1 4.45Å; F495-L545 HydrophobicContact CG-CD1 3.94Å; F495-L545 HydrophobicContact CG-CG 4.21Å; L497-L545 HydrophobicContact CD1-CB 4.4Å; L497-L545 HydrophobicContact CD1-CD1 4.06Å; Y533-L545 PolarHBondContact N-O 2.88Å; G534-L545 PolarHBondContact N-O 3.36Å; G534-L545 WeakPolarHBondContact O-CB 3.39Å; G534-L545 PolarHBondContact O-N 3.06Å; L545-Y807 HydrophobicContact CD2-CD2 4.4Å; L545-Y807 HydrophobicContact CD2-CE2 4.26Å
546	L	92.7	Very high	90.5	Very high	10 Å²	10	28 Å²	28	5%	0.052	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	163.1	-171.3	-53.1	176.2	0	0	0	111.3	F495 A496 K498 L521 V530 S531 F532 L544	F495-L546 CarbonylContact C-O 3.51Å; F495-L546 WeakPolarHBondContact CA-O 3.44Å; F495-L546 WeakPolarHBondContact CB-O 3.4Å; A496-L546 HydrophobicContact CB-CB 4.29Å; A496-L546 PolarHBondContact N-O 3.18Å; A496-L546 WeakPolarHBondContact O-CB 3.36Å; A496-L546 PolarHBondContact O-N 2.95Å; K498-L546 HydrophobicContact CB-CD1 4.37Å; L521-L546 HydrophobicContact CD1-CD2 3.9Å; L521-L546 HydrophobicContact CD2-CD2 4.13Å; V530-L546 HydrophobicContact CG1-CB 4.01Å; S531-L546 CarbonylContact O-C 3.53Å; S531-L546 WeakPolarHBondContact O-CA 3.48Å; F532-L546 HydrophobicContact CD2-CD2 3.89Å; L544-L546 HydrophobicContact CB-CD2 4.39Å; L544-L546 HydrophobicContact CB-CG 4.49Å
547	E	92.7	Very high	90.7	Very high	42 Å²	42	28.7 Å²	28.7	20%	0.196	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	133.7	164.5	-170.5	177.6	175.6	0	0	111	V530 S531 Y533 V549 K607	V530-E547 HydrophobicContact CG1-CB 4.12Å; S531-E547 VanDerWaalsContact CB-OE2 3.26Å; S531-E547 WeakPolarHBondContact CB-OE2 2.85Å; S531-E547 PolarHBondContact N-OE2 3.28Å; S531-E547 PolarHBondContact O-N 3.14Å; S531-E547 PolarHBondContact OG-OE2 3.01Å; Y533-E547 HydrophobicContact CE2-CB 4.08Å; E547-V549 HydrophobicContact CG-CG2 4.3Å; E547-K607 IonicContact OE1-NZ 2.71Å; E547-K607 PolarHBondContact OE1-NZ 2.83Å; E547-K607 IonicContact OE2-NZ 3.84Å; E547-K607 PolarHBondContact OE2-NZ 3.3Å
548	Y	93.4	Very high	90.9	Very high	14 Å²	14	26.1 Å²	26.1	6%	0.055	13%	0.128	C	C	.	.			trans	-82.3	133.3	167.4	179.6	-120.7	0	0	0	109.2	I475 L485 E550 D768 F772	I475-Y548 HydrophobicContact CD1-CD2 3.9Å; I475-Y548 HydrophobicContact CD1-CE2 3.78Å; I475-Y548 HydrophobicContact CG2-CE2 4.42Å; L485-Y548 HydrophobicContact CD1-CD1 3.75Å; L485-Y548 HydrophobicContact CD1-CD2 3.8Å; L485-Y548 HydrophobicContact CD1-CE1 4.05Å; L485-Y548 HydrophobicContact CD1-CE2 4.1Å; L485-Y548 HydrophobicContact CD1-CG 3.62Å; L485-Y548 HydrophobicContact CD2-CE1 4.3Å; Y548-E550 HydrophobicContact CD1-CG 3.84Å; Y548-E550 HydrophobicContact CE1-CB 4.09Å; Y548-E550 HydrophobicContact CE1-CG 3.61Å; Y548-D768 PolarHBondContact OH-O 2.97Å; Y548-F772 AromaticContact CE2-CE2 3.79Å; Y548-F772 HydrophobicContact CE2-CE2 3.79Å; Y548-F772 AromaticContact CE2-CZ 3.89Å; Y548-F772 HydrophobicContact CE2-CZ 3.89Å; Y548-F772 WeakPolarHBondContact OH-CE2 3.36Å
549	V	93.4	Very high	91	Very high	3 Å²	3	30 Å²	30	2%	0.018	14%	0.143	C	C	.	.			trans	-127.1	118.3	-176.9	180	0	0	0	0	107.2	V530 E547 L599 I600 T601 K607 F772	V530-V549 HydrophobicContact CG2-CG2 4.2Å; E547-V549 HydrophobicContact CG-CG2 4.3Å; V549-L599 HydrophobicContact CB-CB 4.11Å; V549-L599 HydrophobicContact CB-CD1 4.11Å; V549-L599 HydrophobicContact CG1-CB 3.65Å; V549-I600 VanDerWaalsContact CG1-C 3.5Å; V549-I600 VanDerWaalsContact CG1-O 3.32Å; V549-I600 WeakPolarHBondContact CG1-O 3.45Å; V549-T601 HydrophobicContact CG1-CG2 4Å; V549-K607 HydrophobicContact CG2-CD 4.25Å; V549-F772 VanDerWaalsContact O-CZ 3.28Å; V549-F772 WeakPolarHBondContact O-CZ 3.42Å
550	E	91.2	Very high	91.1	Very high	42 Å²	42	26.6 Å²	26.6	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-25.7	-150.4	-47.9	93.2	147.3	0	0	114.9	Y548 G552 A602 L763	Y548-E550 HydrophobicContact CD1-CG 3.84Å; Y548-E550 HydrophobicContact CE1-CB 4.09Å; Y548-E550 HydrophobicContact CE1-CG 3.61Å; E550-G552 PolarHBondContact O-N 3.43Å; E550-A602 WeakPolarHBondContact OE2-CB 3.12Å; E550-A602 PolarHBondContact OE2-N 2.89Å; E550-L763 HydrophobicContact CB-CD1 3.6Å; E550-L763 HydrophobicContact CB-CD2 3.9Å; E550-L763 HydrophobicContact CB-CG 4.42Å; E550-L763 HydrophobicContact CG-CD1 4.16Å
551	G	90.3	Very high	91.3	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	9.8	-174.7	0	0	0	0	0	115.4	I600 Y771	G551-I600 WeakPolarHBondContact CA-O 3.4Å; G551-I600 PolarHBondContact N-O 3.06Å; G551-Y771 VanDerWaalsContact O-CB 3.3Å; G551-Y771 WeakPolarHBondContact O-CB 3.31Å
552	G	91	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.			trans	70.2	-159.4	-179.9	0	0	0	0	0	113.3	E550 L599 I600	E550-G552 PolarHBondContact O-N 3.43Å; G552-L599 CarbonylContact O-C 3.57Å; G552-L599 VanDerWaalsContact O-CA 3.31Å; G552-L599 WeakPolarHBondContact O-CA 3.49Å; G552-I600 PolarHBondContact O-N 3.08Å
553	D	92.6	Very high	91.6	Very high	20 Å²	20	28 Å²	28	11%	0.107	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-103.4	150	-176.9	68	95	0	0	0	113.7	A555 T556 L557 K559 L598 L599	D553-A555 PolarHBondContact O-N 2.77Å; D553-A555 WeakPolarHBondContact OD1-CA 3.3Å; D553-A555 WeakPolarHBondContact OD1-CB 3.48Å; D553-A555 PolarHBondContact OD1-N 2.89Å; D553-T556 PolarHBondContact O-N 2.76Å; D553-T556 VanDerWaalsContact O-N 3.09Å; D553-T556 WeakPolarHBondContact OD1-CB 3.47Å; D553-T556 PolarHBondContact OD1-N 3.07Å; D553-T556 PolarHBondContact OD1-OG1 3.02Å; D553-T556 VanDerWaalsContact OD1-OG1 3.06Å; D553-T556 WeakPolarHBondContact OD2-CB 3.32Å; D553-T556 PolarHBondContact OD2-OG1 3.38Å; D553-L557 PolarHBondContact O-N 3.42Å; D553-K559 IonicContact OD1-NZ 3.76Å; D553-L598 CarbonylContact C-O 3.57Å; D553-L598 WeakPolarHBondContact CA-O 3.31Å; D553-L599 HydrophobicContact CB-CD2 3.9Å
554	C	94.7	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-28.3	179.4	-74.3	0	0	0	0	113.1	L557 L558 P595 L598 F676	C554-L557 PolarHBondContact O-N 2.8Å; C554-L558 WeakPolarHBondContact O-CB 3.21Å; C554-L558 PolarHBondContact O-N 2.83Å; C554-P595 HydrophobicContact CB-CB 3.99Å; C554-P595 WeakPolarHBondContact CB-O 3.39Å; C554-P595 PolarHBondContact N-O 2.67Å; C554-L598 HydrophobicContact CB-CB 4.02Å; C554-L598 PolarHBondContact N-O 3.19Å; C554-L598 PolarHBondContact SG-O 2.61Å; C554-F676 HydrophobicContact CB-CE1 4.24Å; C554-F676 HydrophobicContact CB-CZ 4.04Å
555	A	92.2	Very high	91.9	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-70.1	-38.1	175.1	0	0	0	0	0	111	D553 L558 K559 P595 D596	D553-A555 PolarHBondContact O-N 2.77Å; D553-A555 WeakPolarHBondContact OD1-CA 3.3Å; D553-A555 WeakPolarHBondContact OD1-CB 3.48Å; D553-A555 PolarHBondContact OD1-N 2.89Å; A555-L558 PolarHBondContact O-N 2.64Å; A555-K559 VanDerWaalsContact C-CE 3.47Å; A555-K559 WeakPolarHBondContact O-CB 3.15Å; A555-K559 WeakPolarHBondContact O-CD 3.47Å; A555-K559 WeakPolarHBondContact O-CE 3.16Å; A555-K559 WeakPolarHBondContact O-CG 3.23Å; A555-K559 PolarHBondContact O-N 2.89Å; A555-P595 HydrophobicContact CB-CB 3.84Å; A555-P595 PolarHBondContact N-O 3.38Å; A555-P595 VanDerWaalsContact N-O 3.12Å; A555-D596 HydrophobicContact CB-CB 4.17Å; A555-D596 VanDerWaalsContact CB-OD1 3.24Å; A555-D596 WeakPolarHBondContact CB-OD1 3.46Å
556	T	90.6	Very high	92	Very high	15 Å²	15	33.9 Å²	33.9	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-37.5	173.6	-64.2	0	0	0	0	111.6	D553 N560 Y771	D553-T556 PolarHBondContact O-N 2.76Å; D553-T556 VanDerWaalsContact O-N 3.09Å; D553-T556 WeakPolarHBondContact OD1-CB 3.47Å; D553-T556 PolarHBondContact OD1-N 3.07Å; D553-T556 PolarHBondContact OD1-OG1 3.02Å; D553-T556 VanDerWaalsContact OD1-OG1 3.06Å; D553-T556 WeakPolarHBondContact OD2-CB 3.32Å; D553-T556 PolarHBondContact OD2-OG1 3.38Å; T556-N560 PolarHBondContact O-N 3.39Å; T556-N560 PolarHBondContact O-ND2 2.93Å; T556-Y771 WeakPolarHBondContact CG2-O 3.38Å
557	L	92.3	Very high	91.9	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-50.7	167.5	178.9	71.6	0	0	0	111.6	D553 C554 K559 N560 V561 L564 M568 Y572 I600 F759	D553-L557 PolarHBondContact O-N 3.42Å; C554-L557 PolarHBondContact O-N 2.8Å; L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 2.96Å; L557-N560 WeakPolarHBondContact O-CA 3.21Å; L557-N560 WeakPolarHBondContact O-CB 3.35Å; L557-N560 PolarHBondContact O-N 3.01Å; L557-V561 HydrophobicContact CD1-CG2 3.77Å; L557-V561 HydrophobicContact CG-CG2 4.22Å; L557-V561 PolarHBondContact O-N 3.31Å; L557-L564 HydrophobicContact CD2-CD2 3.81Å; L557-L564 HydrophobicContact CG-CD2 4.15Å; L557-M568 HydrophobicContact CD2-CE 3.29Å; L557-M568 HydrophobicContact CD2-SD 4.5Å; L557-Y572 HydrophobicContact CD2-CE2 4.21Å; L557-I600 HydrophobicContact CB-CD1 4.2Å; L557-I600 HydrophobicContact CD2-CD1 3.81Å; L557-F759 HydrophobicContact CD1-CD2 4.21Å; L557-F759 HydrophobicContact CD1-CE1 4.23Å; L557-F759 HydrophobicContact CD1-CE2 3.89Å; L557-F759 HydrophobicContact CD1-CZ 3.91Å
558	L	92.5	Very high	92	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-39.4	-178.2	-172.7	66.4	0	0	0	111.9	C554 A555 N560 V561 T562 L564 E675 F676	C554-L558 WeakPolarHBondContact O-CB 3.21Å; C554-L558 PolarHBondContact O-N 2.83Å; A555-L558 PolarHBondContact O-N 2.64Å; L558-N560 PolarHBondContact O-N 3.34Å; L558-N560 VanDerWaalsContact O-N 3.17Å; L558-V561 PolarHBondContact O-N 3.05Å; L558-T562 WeakPolarHBondContact O-CA 3.34Å; L558-T562 PolarHBondContact O-N 3.03Å; L558-L564 HydrophobicContact CD1-CD2 4.37Å; L558-L564 HydrophobicContact CD1-CG 4.15Å; L558-E675 HydrophobicContact CD2-CB 4.49Å; L558-E675 HydrophobicContact CD2-CG 3.77Å; L558-E675 WeakPolarHBondContact CD2-OE1 3.34Å; L558-F676 HydrophobicContact CD2-CD1 4.26Å
559	K	89.7	Confident	92.1	Very high	103 Å²	103	35 Å²	35	45%	0.448	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-27.5	172.8	-68.7	153.8	-150.3	150.3	0	112.3	D553 A555 L557 D596	D553-K559 IonicContact OD1-NZ 3.76Å; A555-K559 VanDerWaalsContact C-CE 3.47Å; A555-K559 WeakPolarHBondContact O-CB 3.15Å; A555-K559 WeakPolarHBondContact O-CD 3.47Å; A555-K559 WeakPolarHBondContact O-CE 3.16Å; A555-K559 WeakPolarHBondContact O-CG 3.23Å; A555-K559 PolarHBondContact O-N 2.89Å; L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 2.96Å; K559-D596 IonicContact NZ-OD1 2.67Å; K559-D596 PolarHBondContact NZ-OD1 3.12Å
560	N	87.7	Confident	92.2	Very high	123 Å²	123	35.9 Å²	35.9	66%	0.658	20%	0.195	S	C	*	.	H	α-helix	trans	-90.2	-44.7	178.8	-72.2	-44.8	0	0	0	113.8	T556 L557 L558	T556-N560 PolarHBondContact O-N 3.39Å; T556-N560 PolarHBondContact O-ND2 2.93Å; L557-N560 WeakPolarHBondContact O-CA 3.21Å; L557-N560 WeakPolarHBondContact O-CB 3.35Å; L557-N560 PolarHBondContact O-N 3.01Å; L558-N560 PolarHBondContact O-N 3.34Å; L558-N560 VanDerWaalsContact O-N 3.17Å
561	V	89.8	Confident	92.3	Very high	72 Å²	72	34.9 Å²	34.9	44%	0.436	19%	0.19	S	C	.	.	H	α-helix	trans	-88.3	-20.3	-176.9	-167.2	0	0	0	0	112.2	L557 L558 V563	L557-V561 HydrophobicContact CD1-CG2 3.77Å; L557-V561 HydrophobicContact CG-CG2 4.22Å; L557-V561 PolarHBondContact O-N 3.31Å; L558-V561 PolarHBondContact O-N 3.05Å; V561-V563 WeakPolarHBondContact CG1-O 3.08Å; V561-V563 PolarHBondContact O-N 2.78Å
562	T	89.8	Confident	92.6	Very high	52 Å²	52	35 Å²	35	32%	0.319	19%	0.19	S	C	.	.	S	Bend	trans	66.1	-30.5	-175.9	64.4	0	0	0	0	117.3	L558 G679 K1148	L558-T562 WeakPolarHBondContact O-CA 3.34Å; L558-T562 PolarHBondContact O-N 3.03Å; T562-G679 WeakPolarHBondContact O-CA 3.48Å; T562-K1148 PolarHBondContact OG1-NZ 3.39Å
563	V	93.2	Very high	92.9	Very high	60 Å²	60	35 Å²	35	36%	0.364	19%	0.19	S	C	.	.	S	Bend	trans	-147.7	136.9	172	-179.4	0	0	0	0	106.7	V561 F676 L677	V561-V563 WeakPolarHBondContact CG1-O 3.08Å; V561-V563 PolarHBondContact O-N 2.78Å; V563-F676 WeakPolarHBondContact CG1-O 3.39Å; V563-L677 WeakPolarHBondContact CG1-O 3.07Å
564	L	94.2	Very high	93.1	Very high	6 Å²	6	34 Å²	34	3%	0.031	19%	0.185	C	C	.	.			trans	-84.5	148.6	176.3	-58.3	-172.3	0	0	0	111.2	L557 L558 M568 A569 Y572 F676	L557-L564 HydrophobicContact CD2-CD2 3.81Å; L557-L564 HydrophobicContact CG-CD2 4.15Å; L558-L564 HydrophobicContact CD1-CD2 4.37Å; L558-L564 HydrophobicContact CD1-CG 4.15Å; L564-M568 HydrophobicContact CD2-SD 4.26Å; L564-A569 HydrophobicContact CB-CB 4.35Å; L564-Y572 HydrophobicContact CD1-CD2 4.3Å; L564-F676 HydrophobicContact CB-CB 4.48Å; L564-F676 HydrophobicContact CD1-CB 4.13Å; L564-F676 HydrophobicContact CD1-CD1 3.79Å; L564-F676 HydrophobicContact CD1-CD2 3.9Å; L564-F676 HydrophobicContact CD1-CE1 4.07Å; L564-F676 HydrophobicContact CD1-CE2 4.19Å; L564-F676 HydrophobicContact CD1-CG 3.69Å; L564-F676 HydrophobicContact CD1-CZ 4.27Å; L564-F676 HydrophobicContact CG-CB 4.37Å; L564-F676 HydrophobicContact CG-CD1 4.42Å; L564-F676 HydrophobicContact CG-CG 4.37Å; L564-F676 PolarHBondContact N-O 3.08Å
565	P	93.4	Very high	93.1	Very high	67 Å²	67	34.4 Å²	34.4	44%	0.435	19%	0.186	S	C	.	.			trans	-54.2	147.5	165.2	-23.5	33.7	0	0	0	111.7	E567 M568 A569	P565-E567 VanDerWaalsContact C-N 3.29Å; P565-E567 PolarHBondContact O-N 3.22Å; P565-M568 HydrophobicContact CB-CB 4.09Å; P565-M568 HydrophobicContact CG-CB 4.3Å; P565-M568 PolarHBondContact O-N 3.18Å; P565-A569 WeakPolarHBondContact O-CB 3.27Å; P565-A569 PolarHBondContact O-N 3.18Å
566	V	93.6	Very high	93.3	Very high	51 Å²	51	34.3 Å²	34.3	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-41.6	-179.1	174.2	0	0	0	0	112	A569 R570 L677 P710 F743	V566-A569 PolarHBondContact O-N 2.94Å; V566-R570 WeakPolarHBondContact O-CB 3.09Å; V566-R570 PolarHBondContact O-N 2.98Å; V566-L677 HydrophobicContact CG2-CD2 4.17Å; V566-P710 HydrophobicContact CB-CG 4.44Å; V566-P710 HydrophobicContact CG1-CG 3.86Å; V566-P710 HydrophobicContact CG2-CG 3.68Å; V566-F743 HydrophobicContact CG1-CE2 4.28Å
567	E	92.5	Very high	93.6	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-70.6	-48.7	-177.3	-158.7	66	-109	0	0	111	P565 A569 R570 L571	P565-E567 VanDerWaalsContact C-N 3.29Å; P565-E567 PolarHBondContact O-N 3.22Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.3Å; E567-R570 WeakPolarHBondContact O-CB 3.47Å; E567-R570 PolarHBondContact O-N 2.85Å; E567-R570 VanDerWaalsContact O-N 3.14Å; E567-R570 WeakPolarHBondContact OE1-CD 3.45Å; E567-R570 IonicContact OE1-CZ 3.85Å; E567-R570 IonicContact OE1-NH1 2.63Å; E567-R570 PolarHBondContact OE1-NH1 2.82Å; E567-R570 IonicContact OE2-NH1 3.65Å; E567-R570 PolarHBondContact OE2-NH1 3.13Å; E567-L571 WeakPolarHBondContact O-CG 3.34Å; E567-L571 PolarHBondContact O-N 2.77Å
568	M	93.7	Very high	93.7	Very high	11 Å²	11	33.8 Å²	33.8	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-50.6	-47.7	168	-175.4	170.4	-171.2	0	0	113.3	L557 L564 P565 L571 Y572 E758 F759	L557-M568 HydrophobicContact CD2-CE 3.29Å; L557-M568 HydrophobicContact CD2-SD 4.5Å; L564-M568 HydrophobicContact CD2-SD 4.26Å; P565-M568 HydrophobicContact CB-CB 4.09Å; P565-M568 HydrophobicContact CG-CB 4.3Å; P565-M568 PolarHBondContact O-N 3.18Å; M568-L571 PolarHBondContact O-N 2.94Å; M568-Y572 HydrophobicContact CE-CD2 4.18Å; M568-Y572 HydrophobicContact CE-CE1 4.32Å; M568-Y572 HydrophobicContact CE-CE2 3.33Å; M568-Y572 VanDerWaalsContact CE-CZ 3.44Å; M568-Y572 WeakPolarHBondContact CE-OH 3.28Å; M568-Y572 HydrophobicContact CG-CD2 4.46Å; M568-Y572 HydrophobicContact CG-CE2 4.37Å; M568-Y572 WeakPolarHBondContact O-CB 3.24Å; M568-Y572 PolarHBondContact O-N 2.86Å; M568-E758 HydrophobicContact CB-CB 4.37Å; M568-E758 VanDerWaalsContact CB-OE2 3.31Å; M568-E758 WeakPolarHBondContact CB-OE2 3.38Å; M568-E758 PolarHBondContact N-OE2 3.2Å; M568-F759 HydrophobicContact CE-CB 3.3Å; M568-F759 HydrophobicContact CE-CD1 4.22Å; M568-F759 HydrophobicContact CE-CG 3.91Å; M568-F759 HydrophobicContact SD-CB 3.96Å
569	A	95.8	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.8	0	0	0	0	0	112	L564 P565 V566 E567 Y572 I573 F676 L677	L564-A569 HydrophobicContact CB-CB 4.35Å; P565-A569 WeakPolarHBondContact O-CB 3.27Å; P565-A569 PolarHBondContact O-N 3.18Å; V566-A569 PolarHBondContact O-N 2.94Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.3Å; A569-Y572 PolarHBondContact O-N 3.22Å; A569-I573 WeakPolarHBondContact O-CB 3.15Å; A569-I573 VanDerWaalsContact O-CG1 3.27Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.32Å; A569-F676 HydrophobicContact CB-CB 4.12Å; A569-F676 HydrophobicContact CB-CD2 4.34Å; A569-L677 HydrophobicContact CB-CD2 3.73Å; A569-L677 HydrophobicContact CB-CG 4.33Å
570	R	95.5	Very high	93.9	Very high	23 Å²	23	28.5 Å²	28.5	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-47.3	175	-177.3	-175.2	-67.8	115.7	-3.7	111.6	V566 E567 A574 D712 F743 F744 S746 V747	V566-R570 WeakPolarHBondContact O-CB 3.09Å; V566-R570 PolarHBondContact O-N 2.98Å; E567-R570 WeakPolarHBondContact O-CB 3.47Å; E567-R570 PolarHBondContact O-N 2.85Å; E567-R570 VanDerWaalsContact O-N 3.14Å; E567-R570 WeakPolarHBondContact OE1-CD 3.45Å; E567-R570 IonicContact OE1-CZ 3.85Å; E567-R570 IonicContact OE1-NH1 2.63Å; E567-R570 PolarHBondContact OE1-NH1 2.82Å; E567-R570 IonicContact OE2-NH1 3.65Å; E567-R570 PolarHBondContact OE2-NH1 3.13Å; R570-A574 VanDerWaalsContact O-CB 3.29Å; R570-A574 WeakPolarHBondContact O-CB 3.25Å; R570-A574 PolarHBondContact O-N 3.4Å; R570-D712 IonicContact NH2-OD2 3.64Å; R570-F743 HydrophobicContact CB-CE1 3.82Å; R570-F743 HydrophobicContact CB-CE2 4.38Å; R570-F743 HydrophobicContact CB-CZ 3.62Å; R570-F743 VanDerWaalsContact CD-O 3.25Å; R570-F743 WeakPolarHBondContact CD-O 3.39Å; R570-F743 HydrophobicContact CG-CD1 4.24Å; R570-F743 HydrophobicContact CG-CE1 3.8Å; R570-F743 HydrophobicContact CG-CZ 4Å; R570-F743 PolarHBondContact NE-O 2.84Å; R570-F744 HydrophobicContact CG-CD1 4.05Å; R570-F744 HydrophobicContact CG-CE1 4.38Å; R570-S746 WeakPolarHBondContact CD-OG 3.41Å; R570-V747 HydrophobicContact CG-CG2 3.92Å
571	L	94.1	Very high	94.2	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.105	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-50.9	177.1	-69.1	174.1	0	0	0	111.2	E567 M568 I573 A574 E575	E567-L571 WeakPolarHBondContact O-CG 3.34Å; E567-L571 PolarHBondContact O-N 2.77Å; M568-L571 PolarHBondContact O-N 2.94Å; L571-I573 VanDerWaalsContact C-N 3.32Å; L571-I573 PolarHBondContact O-N 3.46Å; L571-A574 PolarHBondContact O-N 2.99Å; L571-A574 VanDerWaalsContact O-N 3.09Å; L571-E575 WeakPolarHBondContact O-CG 3.35Å; L571-E575 PolarHBondContact O-N 3.17Å
572	Y	96.3	Very high	94.1	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-36.2	-177.6	-77.1	9.7	0	0	0	112.7	L557 L564 M568 A569 T576 I600 G604 V606	L557-Y572 HydrophobicContact CD2-CE2 4.21Å; L564-Y572 HydrophobicContact CD1-CD2 4.3Å; M568-Y572 HydrophobicContact CE-CD2 4.18Å; M568-Y572 HydrophobicContact CE-CE1 4.32Å; M568-Y572 HydrophobicContact CE-CE2 3.33Å; M568-Y572 VanDerWaalsContact CE-CZ 3.44Å; M568-Y572 WeakPolarHBondContact CE-OH 3.28Å; M568-Y572 HydrophobicContact CG-CD2 4.46Å; M568-Y572 HydrophobicContact CG-CE2 4.37Å; M568-Y572 WeakPolarHBondContact O-CB 3.24Å; M568-Y572 PolarHBondContact O-N 2.86Å; A569-Y572 PolarHBondContact O-N 3.22Å; Y572-T576 WeakPolarHBondContact O-CB 3.42Å; Y572-T576 PolarHBondContact O-N 3.32Å; Y572-T576 PolarHBondContact O-OG1 3.04Å; Y572-I600 HydrophobicContact CE2-CD1 4.03Å; Y572-I600 HydrophobicContact CE2-CG1 4.3Å; Y572-G604 VanDerWaalsContact CE1-O 3.24Å; Y572-G604 WeakPolarHBondContact CE1-O 3.25Å; Y572-G604 PolarHBondContact OH-O 2.76Å; Y572-V606 HydrophobicContact CD1-CG2 3.51Å; Y572-V606 HydrophobicContact CD2-CG2 3.77Å; Y572-V606 HydrophobicContact CE1-CG2 3.73Å; Y572-V606 HydrophobicContact CE2-CG2 3.96Å; Y572-V606 HydrophobicContact CG-CG2 3.51Å
573	I	97.4	Very high	94	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-72.8	-37.4	173.1	-64.7	-65.7	0	0	0	111.3	A569 L571 T576 V577 V669 I672 L673 F676 F744	A569-I573 WeakPolarHBondContact O-CB 3.15Å; A569-I573 VanDerWaalsContact O-CG1 3.27Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.32Å; L571-I573 VanDerWaalsContact C-N 3.32Å; L571-I573 PolarHBondContact O-N 3.46Å; I573-T576 CarbonylContact O-C 3.6Å; I573-T576 WeakPolarHBondContact O-CB 3.43Å; I573-T576 PolarHBondContact O-N 3.47Å; I573-V577 HydrophobicContact CG2-CG2 4.35Å; I573-V577 VanDerWaalsContact O-CG2 3.27Å; I573-V577 WeakPolarHBondContact O-CG2 3.36Å; I573-V577 PolarHBondContact O-N 2.63Å; I573-V669 HydrophobicContact CD1-CG1 4.4Å; I573-V669 HydrophobicContact CG2-CG1 3.88Å; I573-I672 HydrophobicContact CD1-CB 4.31Å; I573-I672 HydrophobicContact CD1-CG2 3.85Å; I573-L673 HydrophobicContact CD1-CB 4.07Å; I573-L673 HydrophobicContact CG1-CB 4.1Å; I573-L673 HydrophobicContact CG1-CD1 4.03Å; I573-F676 HydrophobicContact CD1-CD2 4.15Å; I573-F676 HydrophobicContact CD1-CE2 4.08Å; I573-F676 HydrophobicContact CG1-CD2 4.2Å; I573-F676 HydrophobicContact CG1-CE2 4.38Å; I573-F744 HydrophobicContact CG2-CE1 4.25Å; I573-F744 HydrophobicContact CG2-CZ 3.87Å
574	A	96.2	Very high	93.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-40.6	175.1	0	0	0	0	0	112.4	R570 L571 V577 L578 F744 V747 W749 L752	R570-A574 VanDerWaalsContact O-CB 3.29Å; R570-A574 WeakPolarHBondContact O-CB 3.25Å; R570-A574 PolarHBondContact O-N 3.4Å; L571-A574 PolarHBondContact O-N 2.99Å; L571-A574 VanDerWaalsContact O-N 3.09Å; A574-V577 PolarHBondContact O-N 2.83Å; A574-L578 PolarHBondContact O-N 3.35Å; A574-L578 VanDerWaalsContact O-N 3.14Å; A574-F744 HydrophobicContact CB-CD1 4.1Å; A574-F744 HydrophobicContact CB-CE1 4.01Å; A574-V747 HydrophobicContact CB-CG1 4.09Å; A574-W749 HydrophobicContact CB-CH2 3.74Å; A574-W749 HydrophobicContact CB-CZ3 3.75Å; A574-W749 WeakPolarHBondContact O-CZ3 3.41Å; A574-L752 HydrophobicContact CB-CD2 3.94Å
575	E	95.3	Very high	93.1	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-42.1	171.8	-67.2	-178	157.2	0	0	111.3	F528 L571 V577 L578 A579 H605 V606 L752	F528-E575 HydrophobicContact CD1-CB 3.78Å; F528-E575 HydrophobicContact CD1-CG 3.96Å; F528-E575 HydrophobicContact CE1-CB 3.94Å; F528-E575 HydrophobicContact CE1-CG 3.6Å; F528-E575 HydrophobicContact CZ-CG 4.46Å; L571-E575 WeakPolarHBondContact O-CG 3.35Å; L571-E575 PolarHBondContact O-N 3.17Å; E575-V577 PolarHBondContact O-N 2.7Å; E575-L578 PolarHBondContact O-N 3.27Å; E575-A579 PolarHBondContact O-N 3.15Å; E575-H605 IonicContact OE1-CE1 2.67Å; E575-H605 IonicContact OE1-CG 3.2Å; E575-H605 IonicContact OE1-ND1 3.19Å; E575-H605 PolarHBondContact OE1-ND1 2.86Å; E575-V606 HydrophobicContact CB-CB 4.35Å; E575-V606 PolarHBondContact OE2-N 3.2Å; E575-L752 HydrophobicContact CG-CD2 3.88Å
576	T	96.7	Very high	92.2	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-40.2	174.2	-56.2	0	0	0	0	112	Y572 I573 L578 A579 V580 L598 V669	Y572-T576 WeakPolarHBondContact O-CB 3.42Å; Y572-T576 PolarHBondContact O-N 3.32Å; Y572-T576 PolarHBondContact O-OG1 3.04Å; I573-T576 CarbonylContact O-C 3.6Å; I573-T576 WeakPolarHBondContact O-CB 3.43Å; I573-T576 PolarHBondContact O-N 3.47Å; T576-L578 VanDerWaalsContact C-N 3.3Å; T576-L578 PolarHBondContact O-N 2.79Å; T576-A579 PolarHBondContact O-N 2.58Å; T576-V580 HydrophobicContact CG2-CG2 4.28Å; T576-V580 WeakPolarHBondContact O-CG2 3.36Å; T576-V580 PolarHBondContact O-N 3.2Å; T576-L598 HydrophobicContact CG2-CD2 4.23Å; T576-V669 HydrophobicContact CG2-CG2 4.08Å
577	V	96.4	Very high	91.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-37.2	175.6	166.7	0	0	0	0	111.3	I573 A574 E575 E581 W666 V738 K739 W749	I573-V577 HydrophobicContact CG2-CG2 4.35Å; I573-V577 VanDerWaalsContact O-CG2 3.27Å; I573-V577 WeakPolarHBondContact O-CG2 3.36Å; I573-V577 PolarHBondContact O-N 2.63Å; A574-V577 PolarHBondContact O-N 2.83Å; E575-V577 PolarHBondContact O-N 2.7Å; V577-E581 WeakPolarHBondContact O-CB 3.32Å; V577-E581 PolarHBondContact O-N 2.97Å; V577-W666 HydrophobicContact CG1-CH2 4.38Å; V577-W666 HydrophobicContact CG1-CZ3 4.37Å; V577-W666 HydrophobicContact CG2-CZ3 4.15Å; V577-V738 HydrophobicContact CG1-CG1 4.48Å; V577-V738 HydrophobicContact CG2-CG1 3.8Å; V577-K739 HydrophobicContact CG1-CG 4.01Å; V577-W749 HydrophobicContact CB-CH2 4.3Å; V577-W749 HydrophobicContact CB-CZ3 4.18Å; V577-W749 HydrophobicContact CG1-CH2 4.07Å; V577-W749 HydrophobicContact CG1-CZ3 3.98Å
578	L	94.3	Very high	90.6	Very high	20 Å²	20	13.7 Å²	13.7	11%	0.105	7%	0.068	C	C	.	.	H	α-helix	trans	-72.4	-32.7	174.8	-68	-179.3	0	0	0	113.2	F528 A574 E575 T576 E581 Y582 W749 L752	F528-L578 HydrophobicContact CD2-CB 3.67Å; F528-L578 HydrophobicContact CD2-CD1 4.22Å; F528-L578 HydrophobicContact CE2-CB 3.79Å; F528-L578 HydrophobicContact CE2-CD1 3.43Å; F528-L578 VanDerWaalsContact CE2-CD1 3.43Å; F528-L578 HydrophobicContact CE2-CG 4.26Å; F528-L578 HydrophobicContact CG-CB 4.45Å; F528-L578 HydrophobicContact CZ-CD1 3.81Å; A574-L578 PolarHBondContact O-N 3.35Å; A574-L578 VanDerWaalsContact O-N 3.14Å; E575-L578 PolarHBondContact O-N 3.27Å; T576-L578 VanDerWaalsContact C-N 3.3Å; T576-L578 PolarHBondContact O-N 2.79Å; L578-E581 WeakPolarHBondContact CD2-OE2 3.5Å; L578-Y582 WeakPolarHBondContact O-CB 3.37Å; L578-Y582 PolarHBondContact O-N 3.12Å; L578-W749 HydrophobicContact CD1-CE3 4.23Å; L578-W749 HydrophobicContact CD2-CE3 3.88Å; L578-W749 HydrophobicContact CD2-CZ3 4.35Å; L578-W749 HydrophobicContact CG-CE3 3.95Å; L578-W749 HydrophobicContact CG-CZ3 4.16Å; L578-L752 HydrophobicContact CD1-CD2 3.87Å
579	A	93.5	Very high	90.2	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.065	C	C	.	.	H	α-helix	trans	-67.4	-45.3	171.5	0	0	0	0	0	111.7	F528 E575 T576 Y582 L583 L608	F528-A579 HydrophobicContact CB-CB 3.93Å; E575-A579 PolarHBondContact O-N 3.15Å; T576-A579 PolarHBondContact O-N 2.58Å; A579-Y582 WeakPolarHBondContact O-CB 3.27Å; A579-Y582 PolarHBondContact O-N 2.77Å; A579-L583 WeakPolarHBondContact O-CG 3.21Å; A579-L583 PolarHBondContact O-N 3.45Å; A579-L583 VanDerWaalsContact O-N 3.15Å; A579-L608 HydrophobicContact CB-CB 4.05Å; A579-L608 HydrophobicContact CB-CD2 4.04Å
580	V	93.4	Very high	89.8	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67	-44	178.6	174.8	0	0	0	0	111.3	T576 Y582 L583 H584 L593 D665 W666 V669	T576-V580 HydrophobicContact CG2-CG2 4.28Å; T576-V580 WeakPolarHBondContact O-CG2 3.36Å; T576-V580 PolarHBondContact O-N 3.2Å; V580-Y582 VanDerWaalsContact C-N 3.29Å; V580-Y582 PolarHBondContact O-N 2.6Å; V580-L583 PolarHBondContact O-N 3.4Å; V580-H584 WeakPolarHBondContact CG1-NE2 3.29Å; V580-H584 WeakPolarHBondContact O-CB 3.46Å; V580-H584 PolarHBondContact O-CD2 2.75Å; V580-H584 PolarHBondContact O-N 2.83Å; V580-L593 HydrophobicContact CG2-CD1 3.71Å; V580-L593 HydrophobicContact CG2-CD2 4.4Å; V580-D665 HydrophobicContact CG1-CB 4.06Å; V580-W666 HydrophobicContact CB-CH2 4.09Å; V580-W666 HydrophobicContact CB-CZ3 4.08Å; V580-W666 HydrophobicContact CG1-CE3 4.18Å; V580-W666 HydrophobicContact CG1-CH2 3.61Å; V580-W666 HydrophobicContact CG1-CZ2 4Å; V580-W666 HydrophobicContact CG1-CZ3 3.72Å; V580-V669 HydrophobicContact CG2-CG2 4.38Å
581	E	92.2	Very high	89.4	Confident	61 Å²	61	13.8 Å²	13.8	29%	0.285	7%	0.068	S	C	.	.	H	α-helix	trans	-54.2	-45.6	172.9	177.8	-179.2	-119.7	0	0	111.9	V577 L578 H584 S585 A735 K739	V577-E581 WeakPolarHBondContact O-CB 3.32Å; V577-E581 PolarHBondContact O-N 2.97Å; L578-E581 WeakPolarHBondContact CD2-OE2 3.5Å; E581-H584 PolarHBondContact O-N 3.4Å; E581-S585 WeakPolarHBondContact O-CB 3.36Å; E581-S585 PolarHBondContact O-N 2.78Å; E581-A735 HydrophobicContact CB-CB 3.69Å; E581-A735 HydrophobicContact CG-CB 3.82Å; E581-K739 WeakPolarHBondContact OE1-CE 3.48Å; E581-K739 IonicContact OE1-NZ 3.89Å; E581-K739 PolarHBondContact OE1-NZ 3.2Å; E581-K739 IonicContact OE2-NZ 3.5Å; E581-K739 PolarHBondContact OE2-NZ 3.3Å
582	Y	89.3	Confident	89.1	Confident	32 Å²	32	13.1 Å²	13.1	13%	0.125	6%	0.064	C	C	.	.	H	α-helix	trans	-60.3	-49.4	179.1	178	-99.6	0	0	0	111.9	D525 N526 V529 L578 A579 V580 S585 Y586	D525-Y582 PolarHBondContact N-OH 2.84Å; D525-Y582 PolarHBondContact O-OH 3.24Å; N526-Y582 HydrophobicContact CB-CD1 3.72Å; N526-Y582 HydrophobicContact CB-CD2 3.89Å; N526-Y582 HydrophobicContact CB-CE1 3.71Å; N526-Y582 HydrophobicContact CB-CE2 3.83Å; N526-Y582 HydrophobicContact CB-CG 3.82Å; N526-Y582 VanDerWaalsContact ND2-CB 3.3Å; N526-Y582 WeakPolarHBondContact ND2-CB 3.36Å; N526-Y582 WeakPolarHBondContact ND2-CD2 3.29Å; V529-Y582 HydrophobicContact CG2-CD1 4.4Å; L578-Y582 WeakPolarHBondContact O-CB 3.37Å; L578-Y582 PolarHBondContact O-N 3.12Å; A579-Y582 WeakPolarHBondContact O-CB 3.27Å; A579-Y582 PolarHBondContact O-N 2.77Å; V580-Y582 VanDerWaalsContact C-N 3.29Å; V580-Y582 PolarHBondContact O-N 2.6Å; Y582-S585 PolarHBondContact O-N 2.68Å; Y582-S585 PolarHBondContact O-OG 2.86Å; Y582-Y586 HydrophobicContact CD2-CE2 4.09Å; Y582-Y586 HydrophobicContact CE1-CD2 4.29Å; Y582-Y586 HydrophobicContact CE1-CE2 4.17Å; Y582-Y586 HydrophobicContact CE2-CD2 4.35Å; Y582-Y586 AromaticContact CE2-CE2 3.57Å; Y582-Y586 HydrophobicContact CE2-CE2 3.57Å; Y582-Y586 AromaticContact CZ-CE2 3.6Å; Y582-Y586 VanDerWaalsContact O-CD2 3.32Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.31Å; Y582-Y586 PolarHBondContact O-N 3.39Å
583	L	87.2	Confident	89	Confident	3 Å²	3	13 Å²	13	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-47.6	176.7	-63.2	168.9	0	0	0	111.4	A579 V580 S585 Y586 G587 I588 H590 L608 F611	A579-L583 WeakPolarHBondContact O-CG 3.21Å; A579-L583 PolarHBondContact O-N 3.45Å; A579-L583 VanDerWaalsContact O-N 3.15Å; V580-L583 PolarHBondContact O-N 3.4Å; L583-S585 VanDerWaalsContact C-N 3.25Å; L583-S585 PolarHBondContact O-N 3.49Å; L583-Y586 CarbonylContact O-C 3.51Å; L583-Y586 WeakPolarHBondContact O-CA 3.49Å; L583-Y586 PolarHBondContact O-N 2.87Å; L583-G587 PolarHBondContact O-N 3.39Å; L583-I588 CarbonylContact C-O 3.6Å; L583-I588 VanDerWaalsContact C-O 3.23Å; L583-I588 HydrophobicContact CB-CB 4.13Å; L583-I588 HydrophobicContact CB-CG2 4.35Å; L583-I588 HydrophobicContact CD2-CB 4.4Å; L583-I588 HydrophobicContact CD2-CD1 4.4Å; L583-I588 HydrophobicContact CD2-CG2 4.13Å; L583-I588 WeakPolarHBondContact O-CB 3.47Å; L583-I588 PolarHBondContact O-N 3.48Å; L583-H590 HydrophobicContact CD1-CB 4.25Å; L583-L608 HydrophobicContact CD1-CD2 3.65Å; L583-F611 HydrophobicContact CD1-CE1 3.83Å; L583-F611 HydrophobicContact CD2-CD1 4.26Å; L583-F611 HydrophobicContact CD2-CE1 3.67Å; L583-F611 HydrophobicContact CD2-CZ 4.44Å; L583-F611 HydrophobicContact CG-CE1 4.37Å
584	H	87.3	Confident	88.9	Confident	15 Å²	15	14.2 Å²	14.2	7%	0.069	7%	0.069	C	C	.	.	H	α-helix	trans	-63.7	-31.6	-179.3	-74.6	-160.7	0	0	0	112.2	V580 E581 Y586 G587 I588 K662 D665 W666	V580-H584 WeakPolarHBondContact CG1-NE2 3.29Å; V580-H584 WeakPolarHBondContact O-CB 3.46Å; V580-H584 PolarHBondContact O-CD2 2.75Å; V580-H584 PolarHBondContact O-N 2.83Å; E581-H584 PolarHBondContact O-N 3.4Å; H584-Y586 PolarHBondContact O-N 3.3Å; H584-G587 PolarHBondContact O-N 3.28Å; H584-I588 PolarHBondContact CD2-O 3.12Å; H584-I588 VanDerWaalsContact CD2-O 3.3Å; H584-I588 PolarHBondContact N-O 2.86Å; H584-K662 HydrophobicContact CB-CD 4.12Å; H584-K662 HydrophobicContact CB-CG 4.38Å; H584-K662 PolarHBondContact CE1-O 3.36Å; H584-K662 VanDerWaalsContact CE1-O 3.24Å; H584-K662 WeakPolarHBondContact O-CE 3.33Å; H584-K662 PolarHBondContact O-NZ 2.97Å; H584-D665 IonicContact CD2-OD2 2.65Å; H584-D665 IonicContact CE1-OD2 3.16Å; H584-D665 IonicContact NE2-OD2 2.73Å; H584-D665 PolarHBondContact NE2-OD2 3.35Å; H584-W666 AromaticContact ND1-CZ2 4Å
585	S	80.8	Confident	88.8	Confident	50 Å²	50	14.2 Å²	14.2	35%	0.35	7%	0.069	S	C	.	.	H	α-helix	trans	-65.3	-23.7	174.4	80.2	0	0	0	0	113.2	E581 Y582 L583 M619	E581-S585 WeakPolarHBondContact O-CB 3.36Å; E581-S585 PolarHBondContact O-N 2.78Å; Y582-S585 PolarHBondContact O-N 2.68Å; Y582-S585 PolarHBondContact O-OG 2.86Å; L583-S585 VanDerWaalsContact C-N 3.25Å; L583-S585 PolarHBondContact O-N 3.49Å; S585-M619 WeakPolarHBondContact O-CG 3.48Å
586	Y	74.3	Confident	88.6	Confident	30 Å²	30	17 Å²	17	12%	0.118	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.2	171.7	-70.7	-62.7	0	0	0	113.8	E347 F523 Y582 L583 H584 I588 M619	E347-Y586 WeakPolarHBondContact OE1-CE1 3.42Å; E347-Y586 PolarHBondContact OE1-OH 2.52Å; E347-Y586 WeakPolarHBondContact OE2-CE1 3.5Å; F523-Y586 HydrophobicContact CD1-CD1 4.49Å; F523-Y586 HydrophobicContact CD1-CE1 4.25Å; F523-Y586 HydrophobicContact CE1-CD1 4.1Å; F523-Y586 AromaticContact CE1-CE1 3.58Å; F523-Y586 HydrophobicContact CE1-CE1 3.58Å; F523-Y586 AromaticContact CE1-CZ 3.87Å; Y582-Y586 HydrophobicContact CD2-CE2 4.09Å; Y582-Y586 HydrophobicContact CE1-CD2 4.29Å; Y582-Y586 HydrophobicContact CE1-CE2 4.17Å; Y582-Y586 HydrophobicContact CE2-CD2 4.35Å; Y582-Y586 AromaticContact CE2-CE2 3.57Å; Y582-Y586 HydrophobicContact CE2-CE2 3.57Å; Y582-Y586 AromaticContact CZ-CE2 3.6Å; Y582-Y586 VanDerWaalsContact O-CD2 3.32Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.31Å; Y582-Y586 PolarHBondContact O-N 3.39Å; L583-Y586 CarbonylContact O-C 3.51Å; L583-Y586 WeakPolarHBondContact O-CA 3.49Å; L583-Y586 PolarHBondContact O-N 2.87Å; H584-Y586 PolarHBondContact O-N 3.3Å; Y586-I588 PolarHBondContact O-N 3.42Å; Y586-M619 HydrophobicContact CD1-SD 4.26Å
587	G	72.5	Confident	88.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	2.3	-176.4	0	0	0	0	0	114.7	L583 H584 G617	L583-G587 PolarHBondContact O-N 3.39Å; H584-G587 PolarHBondContact O-N 3.28Å; G587-G617 WeakPolarHBondContact CA-O 3.41Å; G587-G617 PolarHBondContact O-N 3.18Å
588	I	79.9	Confident	88.4	Confident	7 Å²	7	17.3 Å²	17.3	4%	0.036	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.8	-179.1	-57.8	160.6	0	0	0	109.3	F308 I520 L583 H584 Y586 V616	F308-I588 HydrophobicContact CE2-CD1 4.17Å; F308-I588 HydrophobicContact CE2-CG1 4.34Å; F308-I588 HydrophobicContact CZ-CD1 3.99Å; F308-I588 HydrophobicContact CZ-CG1 4.37Å; I520-I588 HydrophobicContact CB-CD1 4.5Å; I520-I588 HydrophobicContact CD1-CG2 3.92Å; I520-I588 HydrophobicContact CG1-CD1 4.03Å; I520-I588 HydrophobicContact CG1-CG1 4.32Å; I520-I588 HydrophobicContact CG1-CG2 4.4Å; I520-I588 HydrophobicContact CG2-CD1 4.08Å; I520-I588 HydrophobicContact CG2-CG2 4.44Å; L583-I588 CarbonylContact C-O 3.6Å; L583-I588 VanDerWaalsContact C-O 3.23Å; L583-I588 HydrophobicContact CB-CB 4.13Å; L583-I588 HydrophobicContact CB-CG2 4.35Å; L583-I588 HydrophobicContact CD2-CB 4.4Å; L583-I588 HydrophobicContact CD2-CD1 4.4Å; L583-I588 HydrophobicContact CD2-CG2 4.13Å; L583-I588 WeakPolarHBondContact O-CB 3.47Å; L583-I588 PolarHBondContact O-N 3.48Å; H584-I588 PolarHBondContact CD2-O 3.12Å; H584-I588 VanDerWaalsContact CD2-O 3.3Å; H584-I588 PolarHBondContact N-O 2.86Å; Y586-I588 PolarHBondContact O-N 3.42Å; I588-V616 HydrophobicContact CG1-CG2 4.41Å
589	V	85.9	Confident	88.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.3	172.2	-175.1	0	0	0	0	108.4	R591 S614 K615 F638 K662 V664 D665	V589-R591 HydrophobicContact CB-CG 4.3Å; V589-R591 HydrophobicContact CG1-CG 3.84Å; V589-S614 VanDerWaalsContact O-CA 3.25Å; V589-S614 WeakPolarHBondContact O-CA 3.38Å; V589-S614 WeakPolarHBondContact O-CB 3.27Å; V589-K615 PolarHBondContact N-O 2.95Å; V589-K615 PolarHBondContact O-N 2.82Å; V589-F638 HydrophobicContact CB-CE2 3.83Å; V589-F638 HydrophobicContact CB-CZ 4.47Å; V589-F638 HydrophobicContact CG1-CE2 4.46Å; V589-F638 HydrophobicContact CG2-CE2 3.71Å; V589-F638 HydrophobicContact CG2-CZ 4.22Å; V589-K662 HydrophobicContact CG2-CB 4.43Å; V589-K662 HydrophobicContact CG2-CG 3.75Å; V589-V664 HydrophobicContact CG1-CG2 3.66Å; V589-D665 VanDerWaalsContact CG1-OD2 3.29Å; V589-D665 WeakPolarHBondContact CG1-OD2 3.07Å
590	H	87.9	Confident	88.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.			trans	-78.3	-43.7	-168.5	-169	-92.9	0	0	0	113.1	L583 D592 L593 T609 F611 L613 S614 D665	L583-H590 HydrophobicContact CD1-CB 4.25Å; H590-D592 PolarHBondContact CE1-O 3.1Å; H590-D592 PolarHBondContact ND1-O 3.36Å; H590-D592 PolarHBondContact O-N 3.04Å; H590-L593 HydrophobicContact CB-CD1 4.48Å; H590-L593 HydrophobicContact CB-CD2 4.03Å; H590-L593 HydrophobicContact CB-CG 3.94Å; H590-L593 WeakPolarHBondContact ND1-CD2 3.32Å; H590-L593 PolarHBondContact ND1-N 2.85Å; H590-T609 PolarHBondContact NE2-O 3.39Å; H590-F611 AromaticContact CD2-CD1 3.58Å; H590-F611 AromaticContact CD2-CE1 3.67Å; H590-F611 AromaticContact NE2-CD1 3.83Å; H590-F611 AromaticContact NE2-CE1 3.98Å; H590-L613 CarbonylContact O-C 3.07Å; H590-S614 WeakPolarHBondContact CA-OG 3.47Å; H590-S614 WeakPolarHBondContact O-CA 3.36Å; H590-S614 PolarHBondContact O-N 2.67Å; H590-S614 PolarHBondContact O-OG 2.58Å; H590-D665 PolarHBondContact N-OD1 3.02Å; H590-D665 PolarHBondContact N-OD2 3.4Å
591	R	86.9	Confident	88.4	Confident	36 Å²	36	18.2 Å²	18.2	14%	0.136	9%	0.091	C	C	.	.	S	Bend	trans	66.6	-13.1	173.4	-48.2	-168.5	-61.4	173.8	0.5	117.9	V589 L613 D640 Y660 D665	V589-R591 HydrophobicContact CB-CG 4.3Å; V589-R591 HydrophobicContact CG1-CG 3.84Å; R591-L613 PolarHBondContact NE-O 3.07Å; R591-L613 PolarHBondContact NH2-O 3.48Å; R591-D640 IonicContact CZ-OD2 3.66Å; R591-D640 IonicContact NH1-OD2 3.73Å; R591-D640 PolarHBondContact NH1-OD2 3.22Å; R591-Y660 WeakPolarHBondContact CD-OH 3.31Å; R591-Y660 HydrophobicContact CG-CE2 4.31Å; R591-Y660 PolarHBondContact NH1-OH 2.79Å; R591-D665 PolarHBondContact N-OD1 2.88Å
592	D	88.2	Confident	88.4	Confident	5 Å²	5	17 Å²	17	3%	0.027	9%	0.091	C	C	.	.			trans	-134	51.3	172	-167.8	44.9	0	0	0	111	H590 K594 N597 L613 T646	H590-D592 PolarHBondContact CE1-O 3.1Å; H590-D592 PolarHBondContact ND1-O 3.36Å; H590-D592 PolarHBondContact O-N 3.04Å; D592-K594 IonicContact OD1-NZ 3.21Å; D592-K594 IonicContact OD2-NZ 3.84Å; D592-K594 PolarHBondContact OD2-NZ 3.12Å; D592-N597 PolarHBondContact O-ND2 3.04Å; D592-N597 PolarHBondContact OD2-ND2 3.42Å; D592-L613 HydrophobicContact CB-CB 3.92Å; D592-L613 HydrophobicContact CB-CD1 3.66Å; D592-L613 HydrophobicContact CB-CG 4.43Å; D592-T646 WeakPolarHBondContact OD1-CB 3.35Å; D592-T646 PolarHBondContact OD1-N 3.27Å; D592-T646 PolarHBondContact OD1-OG1 3.16Å
593	L	94	Very high	88.5	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.111	C	C	.	.			trans	-72	125.8	169.2	-69.3	174.4	0	0	0	109.7	V580 H590 L608 D665 A668 V669 I672	V580-L593 HydrophobicContact CG2-CD1 3.71Å; V580-L593 HydrophobicContact CG2-CD2 4.4Å; H590-L593 HydrophobicContact CB-CD1 4.48Å; H590-L593 HydrophobicContact CB-CD2 4.03Å; H590-L593 HydrophobicContact CB-CG 3.94Å; H590-L593 WeakPolarHBondContact ND1-CD2 3.32Å; H590-L593 PolarHBondContact ND1-N 2.85Å; L593-L608 HydrophobicContact CD2-CD1 3.55Å; L593-L608 HydrophobicContact CD2-CD2 3.83Å; L593-L608 HydrophobicContact CD2-CG 4.38Å; L593-D665 HydrophobicContact CD1-CB 3.62Å; L593-A668 HydrophobicContact CB-CB 3.76Å; L593-A668 HydrophobicContact CD1-CB 4.47Å; L593-V669 HydrophobicContact CD1-CG2 4.07Å; L593-I672 HydrophobicContact CB-CD1 4.14Å
594	K	93.7	Very high	88.7	Confident	28 Å²	28	19.5 Å²	19.5	12%	0.122	11%	0.11	C	C	.	.			trans	-163.5	164.2	177.8	69	-156.8	-177	-157.1	0	109.2	D592 D596 N597 T646 Y649	D592-K594 IonicContact OD1-NZ 3.21Å; D592-K594 IonicContact OD2-NZ 3.84Å; D592-K594 PolarHBondContact OD2-NZ 3.12Å; K594-D596 VanDerWaalsContact C-N 3.29Å; K594-D596 HydrophobicContact CG-CB 4.33Å; K594-D596 PolarHBondContact O-N 3.09Å; K594-N597 WeakPolarHBondContact CE-ND2 3.28Å; K594-N597 WeakPolarHBondContact CE-OD1 3.09Å; K594-N597 HydrophobicContact CG-CB 4.2Å; K594-N597 PolarHBondContact O-N 3.38Å; K594-T646 HydrophobicContact CD-CG2 4.25Å; K594-T646 WeakPolarHBondContact CD-OG1 3.3Å; K594-T646 PolarHBondContact NZ-OG1 3.43Å; K594-Y649 HydrophobicContact CB-CD1 4.16Å; K594-Y649 HydrophobicContact CB-CD2 4Å; K594-Y649 HydrophobicContact CB-CE1 4.01Å; K594-Y649 HydrophobicContact CB-CE2 3.87Å; K594-Y649 HydrophobicContact CB-CG 4.17Å
595	P	94.7	Very high	89	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-70.4	-19.7	-175.2	-7.7	21.2	0	0	0	114.6	C554 A555 N597 L598 Y649 I672 E675 F676	C554-P595 HydrophobicContact CB-CB 3.99Å; C554-P595 WeakPolarHBondContact CB-O 3.39Å; C554-P595 PolarHBondContact N-O 2.67Å; A555-P595 HydrophobicContact CB-CB 3.84Å; A555-P595 PolarHBondContact N-O 3.38Å; A555-P595 VanDerWaalsContact N-O 3.12Å; P595-N597 PolarHBondContact O-N 2.91Å; P595-L598 PolarHBondContact O-N 3.29Å; P595-Y649 VanDerWaalsContact CD-OH 3.3Å; P595-Y649 WeakPolarHBondContact CD-OH 3.49Å; P595-Y649 HydrophobicContact CG-CE1 4.48Å; P595-I672 HydrophobicContact CG-CG1 4.4Å; P595-I672 HydrophobicContact CG-CG2 4.31Å; P595-E675 WeakPolarHBondContact CG-OE2 3.12Å; P595-F676 HydrophobicContact CB-CE1 3.9Å; P595-F676 HydrophobicContact CB-CZ 4.42Å; P595-F676 HydrophobicContact CG-CE1 4.14Å
596	D	90.6	Very high	89.7	Confident	64 Å²	64	17.7 Å²	17.7	34%	0.342	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-69.5	-18	172	-47.5	-99.6	0	0	0	112.3	A555 K559 K594	A555-D596 HydrophobicContact CB-CB 4.17Å; A555-D596 VanDerWaalsContact CB-OD1 3.24Å; A555-D596 WeakPolarHBondContact CB-OD1 3.46Å; K559-D596 IonicContact NZ-OD1 2.67Å; K559-D596 PolarHBondContact NZ-OD1 3.12Å; K594-D596 VanDerWaalsContact C-N 3.29Å; K594-D596 HydrophobicContact CG-CB 4.33Å; K594-D596 PolarHBondContact O-N 3.09Å
597	N	93.5	Very high	90.7	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.048	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-98.9	5.9	177.9	-71.4	-3.2	0	0	0	113	D592 K594 P595 T609	D592-N597 PolarHBondContact O-ND2 3.04Å; D592-N597 PolarHBondContact OD2-ND2 3.42Å; K594-N597 WeakPolarHBondContact CE-ND2 3.28Å; K594-N597 WeakPolarHBondContact CE-OD1 3.09Å; K594-N597 HydrophobicContact CG-CB 4.2Å; K594-N597 PolarHBondContact O-N 3.38Å; P595-N597 PolarHBondContact O-N 2.91Å; N597-T609 PolarHBondContact O-N 2.98Å
598	L	95.4	Very high	91.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.3	174.5	-62.7	179.3	0	0	0	108.5	D553 C554 T576 P595 V606 L608 I672 F676	D553-L598 CarbonylContact C-O 3.57Å; D553-L598 WeakPolarHBondContact CA-O 3.31Å; C554-L598 HydrophobicContact CB-CB 4.02Å; C554-L598 PolarHBondContact N-O 3.19Å; C554-L598 PolarHBondContact SG-O 2.61Å; T576-L598 HydrophobicContact CG2-CD2 4.23Å; P595-L598 PolarHBondContact O-N 3.29Å; L598-V606 HydrophobicContact CB-CG1 3.82Å; L598-V606 HydrophobicContact CD2-CG1 3.92Å; L598-V606 HydrophobicContact CG-CG1 4.32Å; L598-L608 HydrophobicContact CD2-CD1 4.02Å; L598-I672 HydrophobicContact CD1-CG2 4.25Å; L598-F676 HydrophobicContact CD1-CZ 4.27Å
599	L	95	Very high	92.2	Very high	25 Å²	25	18.1 Å²	18.1	13%	0.131	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.1	-178	-57.8	-174.1	0	0	0	111.8	V530 V549 G552 D553 V606 K607 T609	V530-L599 HydrophobicContact CG2-CD1 4.17Å; V549-L599 HydrophobicContact CB-CB 4.11Å; V549-L599 HydrophobicContact CB-CD1 4.11Å; V549-L599 HydrophobicContact CG1-CB 3.65Å; G552-L599 CarbonylContact O-C 3.57Å; G552-L599 VanDerWaalsContact O-CA 3.31Å; G552-L599 WeakPolarHBondContact O-CA 3.49Å; D553-L599 HydrophobicContact CB-CD2 3.9Å; L599-V606 CarbonylContact O-C 3.53Å; L599-V606 WeakPolarHBondContact O-CA 3.42Å; L599-K607 PolarHBondContact N-O 2.8Å; L599-K607 PolarHBondContact O-N 2.99Å; L599-T609 HydrophobicContact CD1-CG2 3.89Å; L599-T609 HydrophobicContact CD2-CG2 4.32Å; L599-T609 HydrophobicContact CG-CG2 3.79Å
600	I	94.7	Very high	92	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.6	-177.9	-54.8	171	0	0	0	109.8	V549 G551 G552 L557 Y572 F759	V549-I600 VanDerWaalsContact CG1-C 3.5Å; V549-I600 VanDerWaalsContact CG1-O 3.32Å; V549-I600 WeakPolarHBondContact CG1-O 3.45Å; G551-I600 WeakPolarHBondContact CA-O 3.4Å; G551-I600 PolarHBondContact N-O 3.06Å; G552-I600 PolarHBondContact O-N 3.08Å; L557-I600 HydrophobicContact CB-CD1 4.2Å; L557-I600 HydrophobicContact CD2-CD1 3.81Å; Y572-I600 HydrophobicContact CE2-CD1 4.03Å; Y572-I600 HydrophobicContact CE2-CG1 4.3Å; I600-F759 HydrophobicContact CD1-CD1 4.25Å; I600-F759 HydrophobicContact CD1-CE1 4.08Å; I600-F759 HydrophobicContact CG2-CD1 4.16Å; I600-F759 HydrophobicContact CG2-CE1 4.17Å
601	T	93.1	Very high	91.3	Very high	15 Å²	15	20 Å²	20	9%	0.092	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-72.3	162.6	177.2	55.3	0	0	0	0	113.1	V549 T603 G604 H605 K607 P761	V549-T601 HydrophobicContact CG1-CG2 4Å; T601-T603 PolarHBondContact O-N 3.46Å; T601-T603 PolarHBondContact OG1-OG1 2.98Å; T601-G604 PolarHBondContact O-N 3.41Å; T601-H605 PolarHBondContact N-O 2.96Å; T601-H605 PolarHBondContact OG1-N 3.05Å; T601-H605 VanDerWaalsContact OG1-N 3.08Å; T601-H605 PolarHBondContact OG1-O 2.93Å; T601-K607 HydrophobicContact CG2-CD 3.91Å; T601-K607 HydrophobicContact CG2-CG 4.05Å; T601-P761 WeakPolarHBondContact O-CG 3.34Å
602	A	91	Very high	90	Very high	35 Å²	35	18.8 Å²	18.8	29%	0.289	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.7	170.3	0	0	0	0	0	115	E550 L763	E550-A602 WeakPolarHBondContact OE2-CB 3.12Å; E550-A602 PolarHBondContact OE2-N 2.89Å; A602-L763 HydrophobicContact CB-CD1 3.7Å
603	T	90.8	Very high	88.5	Confident	88 Å²	88	19.4 Å²	19.4	54%	0.54	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.5	176.1	53.3	0	0	0	0	114.2	T601 H605	T601-T603 PolarHBondContact O-N 3.46Å; T601-T603 PolarHBondContact OG1-OG1 2.98Å; T603-H605 PolarHBondContact OG1-CD2 3.38Å
604	G	92.1	Very high	86.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	97.2	-5.7	176	0	0	0	0	0	116.1	Y572 T601 F759	Y572-G604 VanDerWaalsContact CE1-O 3.24Å; Y572-G604 WeakPolarHBondContact CE1-O 3.25Å; Y572-G604 PolarHBondContact OH-O 2.76Å; T601-G604 PolarHBondContact O-N 3.41Å; G604-F759 VanDerWaalsContact CA-O 3.24Å; G604-F759 WeakPolarHBondContact CA-O 3.41Å
605	H	94.1	Very high	85	Confident	24 Å²	24	21.9 Å²	21.9	11%	0.111	12%	0.124	C	C	.	.			trans	-76.7	150.8	175.5	-60.3	-64.4	0	0	0	112.3	E575 T601 T603 L752 Q755	E575-H605 IonicContact OE1-CE1 2.67Å; E575-H605 IonicContact OE1-CG 3.2Å; E575-H605 IonicContact OE1-ND1 3.19Å; E575-H605 PolarHBondContact OE1-ND1 2.86Å; T601-H605 PolarHBondContact N-O 2.96Å; T601-H605 PolarHBondContact OG1-N 3.05Å; T601-H605 VanDerWaalsContact OG1-N 3.08Å; T601-H605 PolarHBondContact OG1-O 2.93Å; T603-H605 PolarHBondContact OG1-CD2 3.38Å; H605-L752 PolarHBondContact CE1-O 2.76Å; H605-L752 VanDerWaalsContact CE1-O 3.28Å; H605-Q755 PolarHBondContact CE1-O 3.36Å
606	V	94.8	Very high	83	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.4	179.4	175.9	0	0	0	0	112.8	Y572 E575 L598 L599	Y572-V606 HydrophobicContact CD1-CG2 3.51Å; Y572-V606 HydrophobicContact CD2-CG2 3.77Å; Y572-V606 HydrophobicContact CE1-CG2 3.73Å; Y572-V606 HydrophobicContact CE2-CG2 3.96Å; Y572-V606 HydrophobicContact CG-CG2 3.51Å; E575-V606 HydrophobicContact CB-CB 4.35Å; E575-V606 PolarHBondContact OE2-N 3.2Å; L598-V606 HydrophobicContact CB-CG1 3.82Å; L598-V606 HydrophobicContact CD2-CG1 3.92Å; L598-V606 HydrophobicContact CG-CG1 4.32Å; L599-V606 CarbonylContact O-C 3.53Å; L599-V606 WeakPolarHBondContact O-CA 3.42Å
607	K	95	Very high	80.8	Confident	23 Å²	23	20 Å²	20	10%	0.1	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.6	167.8	-72.1	-172.4	166.5	-168.2	0	111.5	P527 F528 V530 E547 V549 L599 T601	P527-K607 WeakPolarHBondContact O-CE 3.24Å; F528-K607 WeakPolarHBondContact O-CA 3.24Å; V530-K607 HydrophobicContact CG2-CB 4.01Å; E547-K607 IonicContact OE1-NZ 2.71Å; E547-K607 PolarHBondContact OE1-NZ 2.83Å; E547-K607 IonicContact OE2-NZ 3.84Å; E547-K607 PolarHBondContact OE2-NZ 3.3Å; V549-K607 HydrophobicContact CG2-CD 4.25Å; L599-K607 PolarHBondContact N-O 2.8Å; L599-K607 PolarHBondContact O-N 2.99Å; T601-K607 HydrophobicContact CG2-CD 3.91Å; T601-K607 HydrophobicContact CG2-CG 4.05Å
608	L	94.6	Very high	78.2	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.9	174.9	178.9	57.7	0	0	0	111.5	F528 V530 A579 L583 L593 L598 F611	F528-L608 PolarHBondContact O-N 2.86Å; V530-L608 PolarHBondContact N-O 2.85Å; A579-L608 HydrophobicContact CB-CB 4.05Å; A579-L608 HydrophobicContact CB-CD2 4.04Å; L583-L608 HydrophobicContact CD1-CD2 3.65Å; L593-L608 HydrophobicContact CD2-CD1 3.55Å; L593-L608 HydrophobicContact CD2-CD2 3.83Å; L593-L608 HydrophobicContact CD2-CG 4.38Å; L598-L608 HydrophobicContact CD2-CD1 4.02Å; L608-F611 HydrophobicContact CD2-CE1 4.38Å; L608-F611 HydrophobicContact CG-CE1 4.34Å; L608-F611 HydrophobicContact CG-CZ 4.29Å
609	T	90.8	Very high	75.7	Confident	22 Å²	22	22.5 Å²	22.5	14%	0.135	13%	0.129	C	C	.	.			trans	-140	176.1	-178.8	-159.7	0	0	0	0	113	H590 N597 L599	H590-T609 PolarHBondContact NE2-O 3.39Å; N597-T609 PolarHBondContact O-N 2.98Å; L599-T609 HydrophobicContact CD1-CG2 3.89Å; L599-T609 HydrophobicContact CD2-CG2 4.32Å; L599-T609 HydrophobicContact CG-CG2 3.79Å
610	D	81.8	Confident	72.9	Confident	37 Å²	37	23.2 Å²	23.2	20%	0.198	13%	0.133	C	C	.	.			trans	61.8	55.6	177.2	-154.3	24	0	0	0	115.7	K498 G612	K498-D610 IonicContact NZ-OD1 3.47Å; K498-D610 PolarHBondContact NZ-OD1 3.09Å; D610-G612 PolarHBondContact O-N 2.75Å
611	F	73.2	Confident	70.3	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.013	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-60.6	7.5	170.2	-55	-75.6	0	0	0	114.9	E517 I520 L521 V529 L583 H590 L608 L613 S614	E517-F611 HydrophobicContact CG-CB 4.1Å; I520-F611 HydrophobicContact CG2-CB 4.05Å; I520-F611 HydrophobicContact CG2-CD1 3.93Å; I520-F611 HydrophobicContact CG2-CD2 4.44Å; I520-F611 HydrophobicContact CG2-CG 3.85Å; L521-F611 HydrophobicContact CD2-CD2 3.6Å; L521-F611 HydrophobicContact CD2-CE2 3.82Å; L521-F611 HydrophobicContact CG-CD2 3.9Å; V529-F611 HydrophobicContact CG1-CE2 3.79Å; V529-F611 HydrophobicContact CG1-CZ 3.6Å; V529-F611 HydrophobicContact CG2-CZ 4.32Å; L583-F611 HydrophobicContact CD1-CE1 3.83Å; L583-F611 HydrophobicContact CD2-CD1 4.26Å; L583-F611 HydrophobicContact CD2-CE1 3.67Å; L583-F611 HydrophobicContact CD2-CZ 4.44Å; L583-F611 HydrophobicContact CG-CE1 4.37Å; H590-F611 AromaticContact CD2-CD1 3.58Å; H590-F611 AromaticContact CD2-CE1 3.67Å; H590-F611 AromaticContact NE2-CD1 3.83Å; H590-F611 AromaticContact NE2-CE1 3.98Å; L608-F611 HydrophobicContact CD2-CE1 4.38Å; L608-F611 HydrophobicContact CG-CE1 4.34Å; L608-F611 HydrophobicContact CG-CZ 4.29Å; F611-L613 PolarHBondContact O-N 2.98Å; F611-L613 VanDerWaalsContact O-N 3.12Å; F611-S614 WeakPolarHBondContact CA-OG 3.32Å; F611-S614 WeakPolarHBondContact O-CB 3.42Å; F611-S614 PolarHBondContact O-N 3.06Å; F611-S614 PolarHBondContact O-OG 2.82Å
612	G	58.3	Low	67.4	Low	10 Å²	10	32.8 Å²	32.8	10%	0.103	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57	-27.2	-179.3	0	0	0	0	0	113.3	Q513 E517 D610	Q513-G612 VanDerWaalsContact CD-O 3.3Å; Q513-G612 WeakPolarHBondContact CG-O 3.29Å; Q513-G612 PolarHBondContact NE2-O 3.24Å; E517-G612 WeakPolarHBondContact OE2-CA 3.41Å; D610-G612 PolarHBondContact O-N 2.75Å
613	L	56.3	Low	64.9	Low	18 Å²	18	32.5 Å²	32.5	9%	0.094	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-101.2	-0.1	174.8	-80.3	167.1	0	0	0	114.3	H590 R591 D592 F611 C644	H590-L613 CarbonylContact O-C 3.07Å; R591-L613 PolarHBondContact NE-O 3.07Å; R591-L613 PolarHBondContact NH2-O 3.48Å; D592-L613 HydrophobicContact CB-CB 3.92Å; D592-L613 HydrophobicContact CB-CD1 3.66Å; D592-L613 HydrophobicContact CB-CG 4.43Å; F611-L613 PolarHBondContact O-N 2.98Å; F611-L613 VanDerWaalsContact O-N 3.12Å; L613-C644 HydrophobicContact CD2-CB 4.22Å
614	S	57.7	Low	62.4	Low	9 Å²	9	32 Å²	32	6%	0.063	16%	0.163	C	C	.	.			trans	-68.1	161.9	-178.6	-57.2	0	0	0	0	113	V589 H590 F611	V589-S614 VanDerWaalsContact O-CA 3.25Å; V589-S614 WeakPolarHBondContact O-CA 3.38Å; V589-S614 WeakPolarHBondContact O-CB 3.27Å; H590-S614 WeakPolarHBondContact CA-OG 3.47Å; H590-S614 WeakPolarHBondContact O-CA 3.36Å; H590-S614 PolarHBondContact O-N 2.67Å; H590-S614 PolarHBondContact O-OG 2.58Å; F611-S614 WeakPolarHBondContact CA-OG 3.32Å; F611-S614 WeakPolarHBondContact O-CB 3.42Å; F611-S614 PolarHBondContact O-N 3.06Å; F611-S614 PolarHBondContact O-OG 2.82Å
615	K	57.7	Low	59.9	Low	73 Å²	73	38.4 Å²	38.4	32%	0.317	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.3	175	-169.2	166.4	172.4	171	0	110.5	V589 F638 D640	V589-K615 PolarHBondContact N-O 2.95Å; V589-K615 PolarHBondContact O-N 2.82Å; K615-F638 HydrophobicContact CB-CE1 4.08Å; K615-F638 HydrophobicContact CB-CE2 4.4Å; K615-F638 HydrophobicContact CB-CZ 3.98Å; K615-F638 HydrophobicContact CD-CD1 3.44Å; K615-F638 VanDerWaalsContact CD-CD1 3.44Å; K615-F638 HydrophobicContact CD-CE1 3.66Å; K615-F638 HydrophobicContact CD-CG 4Å; K615-F638 HydrophobicContact CD-CZ 4.36Å; K615-F638 VanDerWaalsContact CE-CD1 3.41Å; K615-F638 HydrophobicContact CG-CD1 3.9Å; K615-F638 HydrophobicContact CG-CE1 3.53Å; K615-F638 HydrophobicContact CG-CZ 3.96Å; K615-D640 IonicContact NZ-OD1 3.01Å; K615-D640 PolarHBondContact NZ-OD1 2.92Å; K615-D640 IonicContact NZ-OD2 2.74Å
616	V	52.3	Low	57	Low	18 Å²	18	43.2 Å²	43.2	11%	0.109	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.2	172.2	-168.8	0	0	0	0	107.9	F308 I520 I588 F638	F308-V616 HydrophobicContact CD2-CG2 4.36Å; F308-V616 HydrophobicContact CE2-CG1 4.24Å; F308-V616 HydrophobicContact CE2-CG2 3.85Å; I520-V616 HydrophobicContact CD1-CG2 4.38Å; I520-V616 HydrophobicContact CG1-CG2 4.39Å; I588-V616 HydrophobicContact CG1-CG2 4.41Å; V616-F638 WeakPolarHBondContact O-CE1 3.5Å
617	G	43.6	Very low	54.2	Low	7 Å²	7	47.9 Å²	47.9	7%	0.072	26%	0.259	C	S	.	.			trans	-129.4	-175.2	168	0	0	0	0	0	110	G587	G587-G617 WeakPolarHBondContact CA-O 3.41Å; G587-G617 PolarHBondContact O-N 3.18Å
618	L	39.9	Very low	51.3	Low	42 Å²	42	50.5 Å²	50.5	22%	0.22	29%	0.292	C	S	.	.			trans	-60.2	140	-175.8	-82.4	151.6	0	0	0	113.3	D319 N620 Q637	D319-L618 HydrophobicContact CB-CD1 3.71Å; D319-L618 HydrophobicContact CB-CD2 3.53Å; D319-L618 HydrophobicContact CB-CG 4.24Å; L618-N620 PolarHBondContact O-N 3.13Å; L618-N620 VanDerWaalsContact O-N 3.16Å; L618-N620 PolarHBondContact O-OD1 2.74Å; L618-Q637 PolarHBondContact O-NE2 3.44Å
619	M	42.6	Very low	48.5	Very low	20 Å²	20	57.7 Å²	57.7	10%	0.099	32%	0.32	C	S	.	.			trans	-90.8	75.7	-172.2	-170.9	165	62.4	0	0	110.6	Q312 I344 S585 Y586 R621	Q312-M619 VanDerWaalsContact OE1-CE 3.22Å; Q312-M619 PolarHBondContact OE1-SD 3.29Å; I344-M619 HydrophobicContact CD1-CE 3.71Å; I344-M619 HydrophobicContact CG1-CE 3.62Å; S585-M619 WeakPolarHBondContact O-CG 3.48Å; Y586-M619 HydrophobicContact CD1-SD 4.26Å; M619-R621 PolarHBondContact O-N 2.83Å
620	N	37.2	Very low	46.2	Very low	41 Å²	41	59.4 Å²	59.4	22%	0.219	33%	0.331	C	S	.	.			trans	-62.5	89.9	-177.4	-27.6	60.7	0	0	0	112.1	L618 T622 E634 Q637 K662	L618-N620 PolarHBondContact O-N 3.13Å; L618-N620 VanDerWaalsContact O-N 3.16Å; L618-N620 PolarHBondContact O-OD1 2.74Å; N620-T622 VanDerWaalsContact C-N 3.3Å; N620-E634 PolarHBondContact ND2-OE2 2.96Å; N620-Q637 PolarHBondContact OD1-NE2 3.39Å; N620-K662 PolarHBondContact OD1-NZ 3.39Å
621	R	38.9	Very low	44.2	Very low	173 Å²	173	59.3 Å²	59.3	65%	0.653	33%	0.33	S	S	*	.	S	Bend	trans	-99.3	14.8	153.5	-59.5	-176.4	68.6	115.5	0.5	110.8	N340 M619	N340-R621 WeakPolarHBondContact OD1-CB 3.38Å; M619-R621 PolarHBondContact O-N 2.83Å
622	T	32.6	Very low	42.7	Very low	43 Å²	43	63.3 Å²	63.3	26%	0.264	36%	0.355	S	S	.	.	S	Bend	trans	-103.3	-64.2	-144	-52.7	0	0	0	0	114.1	E336 N620	E336-T622 VanDerWaalsContact CD-CG2 3.45Å; E336-T622 WeakPolarHBondContact OE1-CA 3.3Å; E336-T622 WeakPolarHBondContact OE1-CB 3.44Å; E336-T622 VanDerWaalsContact OE1-CG2 3.27Å; E336-T622 WeakPolarHBondContact OE1-CG2 3.49Å; E336-T622 PolarHBondContact OE1-OG1 2.84Å; E336-T622 WeakPolarHBondContact OE2-CG2 3.43Å; N620-T622 VanDerWaalsContact C-N 3.3Å
623	T	37.7	Very low	41.8	Very low	29 Å²	29	65.4 Å²	65.4	18%	0.178	37%	0.366	C	S	.	.	S	Bend	trans	-105.2	-19	-161.8	35.1	0	0	0	0	114.1	V625 C626 E627 E634	T623-V625 VanDerWaalsContact C-N 3.26Å; T623-V625 PolarHBondContact O-N 3.15Å; T623-C626 PolarHBondContact O-N 2.82Å; T623-E627 PolarHBondContact O-N 2.85Å; T623-E634 PolarHBondContact OG1-OE2 3.27Å
624	V	38.9	Very low	41.3	Very low	76 Å²	76	66.3 Å²	66.3	46%	0.461	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.6	-162.6	170.3	0	0	0	0	115.9	V732	V624-V732 VanDerWaalsContact CG1-O 3.23Å; V624-V732 WeakPolarHBondContact CG1-O 3.44Å
625	V	40.4	Very low	40.8	Very low	136 Å²	136	67.2 Å²	67.2	82%	0.824	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-3.3	-171.8	-160.3	0	0	0	0	113.7	T623	T623-V625 VanDerWaalsContact C-N 3.26Å; T623-V625 PolarHBondContact O-N 3.15Å
626	C	33.3	Very low	40.5	Very low	124 Å²	124	67.5 Å²	67.5	84%	0.838	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-12.5	-174.1	-75.6	0	0	0	0	116.5	T623	T623-C626 PolarHBondContact O-N 2.82Å
627	E	35.1	Very low	40.5	Very low	101 Å²	101	68.6 Å²	68.6	47%	0.472	38%	0.378	S	S	.	.			trans	-115.5	119.1	175.8	-64	-167.9	161	0	0	110.8	T623 Y629	T623-E627 PolarHBondContact O-N 2.85Å; E627-Y629 PolarHBondContact O-N 2.82Å
628	G	33.8	Very low	40.9	Very low	77 Å²	77	68.5 Å²	68.5	79%	0.794	38%	0.375	S	S	*	.	S	Bend	trans	-71.7	18.8	179.6	0	0	0	0	0	114.9
629	Y	36.5	Very low	41.4	Very low	152 Å²	152	74 Å²	74	60%	0.596	40%	0.4	S	S	*	.	S	Bend	trans	-124.8	116.4	176.8	-96.2	-100.6	0	0	0	108	E627 D631	E627-Y629 PolarHBondContact O-N 2.82Å; Y629-D631 PolarHBondContact O-N 2.83Å; Y629-D631 VanDerWaalsContact O-N 3.08Å
630	V	41.8	Very low	41.9	Very low	59 Å²	59	75 Å²	75	36%	0.358	41%	0.406	S	S	.	.			trans	-66.6	107.7	157.9	179.8	0	0	0	0	106.2	V632 M635 L726 V732	V630-V632 PolarHBondContact O-N 3.46Å; V630-V632 VanDerWaalsContact O-N 3.1Å; V630-M635 HydrophobicContact CG1-CG 3.96Å; V630-M635 HydrophobicContact CG1-SD 4.09Å; V630-L726 HydrophobicContact CB-CD2 3.76Å; V630-L726 HydrophobicContact CG1-CD2 3.72Å; V630-L726 HydrophobicContact CG2-CD2 4.1Å; V630-V732 HydrophobicContact CG2-CG2 4.19Å
631	D	40.4	Very low	42.4	Very low	34 Å²	34	83.6 Å²	83.6	18%	0.182	44%	0.435	C	S	.	.			trans	-62.1	116.2	178.5	-174.2	-15.4	0	0	0	109.1	K323 Y629 T633 E634	K323-D631 IonicContact NZ-OD2 3.36Å; K323-D631 PolarHBondContact NZ-OD2 2.89Å; Y629-D631 PolarHBondContact O-N 2.83Å; Y629-D631 VanDerWaalsContact O-N 3.08Å; D631-T633 PolarHBondContact O-N 2.78Å; D631-T633 WeakPolarHBondContact OD1-CB 3.36Å; D631-T633 WeakPolarHBondContact OD1-CG2 3.12Å; D631-T633 PolarHBondContact OD1-N 2.71Å; D631-T633 PolarHBondContact OD1-OG1 3.07Å; D631-T633 PolarHBondContact OD2-OG1 2.92Å; D631-E634 HydrophobicContact CB-CG 4.19Å; D631-E634 PolarHBondContact O-N 3.47Å
632	V	41.7	Very low	43.1	Very low	88 Å²	88	82.3 Å²	82.3	53%	0.533	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.6	-176.1	-177.7	0	0	0	0	111.6	V630 K636	V630-V632 PolarHBondContact O-N 3.46Å; V630-V632 VanDerWaalsContact O-N 3.1Å; V632-K636 WeakPolarHBondContact O-CG 3.02Å
633	T	39.7	Very low	44.3	Very low	54 Å²	54	82.9 Å²	82.9	33%	0.331	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-37.9	169.2	66.9	0	0	0	0	112.7	D631 M635 K636	D631-T633 PolarHBondContact O-N 2.78Å; D631-T633 WeakPolarHBondContact OD1-CB 3.36Å; D631-T633 WeakPolarHBondContact OD1-CG2 3.12Å; D631-T633 PolarHBondContact OD1-N 2.71Å; D631-T633 PolarHBondContact OD1-OG1 3.07Å; D631-T633 PolarHBondContact OD2-OG1 2.92Å; T633-M635 VanDerWaalsContact C-N 3.31Å; T633-M635 PolarHBondContact O-N 2.85Å; T633-K636 WeakPolarHBondContact O-CA 3.3Å; T633-K636 WeakPolarHBondContact O-CB 3.42Å; T633-K636 PolarHBondContact O-N 2.85Å
634	E	46	Very low	45.1	Very low	37 Å²	37	83 Å²	83	17%	0.173	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-71	-27.3	-178.3	-67.3	-178.5	-148.5	0	0	112.2	K323 N620 T623 D631 K636 Q637	K323-E634 IonicContact NZ-OE1 2.86Å; K323-E634 PolarHBondContact NZ-OE1 2.8Å; N620-E634 PolarHBondContact ND2-OE2 2.96Å; T623-E634 PolarHBondContact OG1-OE2 3.27Å; D631-E634 HydrophobicContact CB-CG 4.19Å; D631-E634 PolarHBondContact O-N 3.47Å; E634-K636 PolarHBondContact O-N 3.02Å; E634-Q637 WeakPolarHBondContact O-CG 3.45Å
635	M	47.7	Very low	46	Very low	27 Å²	27	80.5 Å²	80.5	13%	0.133	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-67.5	-11.8	169.2	-56.8	-163.8	84.1	0	0	113.4	V630 T633 Y660 G661 P725 L726 T731	V630-M635 HydrophobicContact CG1-CG 3.96Å; V630-M635 HydrophobicContact CG1-SD 4.09Å; T633-M635 VanDerWaalsContact C-N 3.31Å; T633-M635 PolarHBondContact O-N 2.85Å; M635-Y660 CarbonylContact O-C 3.42Å; M635-Y660 WeakPolarHBondContact O-CA 3.49Å; M635-Y660 PolarHBondContact O-N 2.72Å; M635-G661 PolarHBondContact O-N 3.23Å; M635-P725 HydrophobicContact CE-CB 3.71Å; M635-P725 HydrophobicContact CE-CG 3.75Å; M635-L726 HydrophobicContact CE-CD2 3.9Å; M635-L726 HydrophobicContact CE-CG 3.88Å; M635-L726 HydrophobicContact SD-CD1 4.38Å; M635-L726 HydrophobicContact SD-CD2 3.38Å; M635-L726 WeakPolarHBondContact SD-CD2 3.35Å; M635-L726 HydrophobicContact SD-CG 3.58Å; M635-L726 VanDerWaalsContact SD-CG 3.58Å; M635-T731 HydrophobicContact CE-CG2 4.01Å
636	K	50.2	Low	47.7	Very low	79 Å²	79	75.8 Å²	75.8	34%	0.343	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-115.1	28.4	-174	-59.4	-179.9	-174.9	-117.2	0	113	V632 T633 E634 F638 Q658	V632-K636 WeakPolarHBondContact O-CG 3.02Å; T633-K636 WeakPolarHBondContact O-CA 3.3Å; T633-K636 WeakPolarHBondContact O-CB 3.42Å; T633-K636 PolarHBondContact O-N 2.85Å; E634-K636 PolarHBondContact O-N 3.02Å; K636-F638 PolarHBondContact O-N 3.27Å; K636-Q658 WeakPolarHBondContact CD-O 3.33Å; K636-Q658 WeakPolarHBondContact CE-O 3.4Å; K636-Q658 PolarHBondContact NZ-O 3.28Å
637	Q	52.1	Low	50.2	Low	42 Å²	42	72.1 Å²	72.1	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-41.4	-37.7	173.5	-82.7	167.2	-14	0	0	113.2	L618 N620 E634 Y660	L618-Q637 PolarHBondContact O-NE2 3.44Å; N620-Q637 PolarHBondContact OD1-NE2 3.39Å; E634-Q637 WeakPolarHBondContact O-CG 3.45Å; Q637-Y660 PolarHBondContact N-O 3.48Å
638	F	52.3	Low	52.8	Low	4 Å²	4	70.9 Å²	70.9	2%	0.018	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-123.8	112.1	179.8	-47.6	-49.9	0	0	0	112.4	V589 K615 V616 K636 D640 G659 Y660	V589-F638 HydrophobicContact CB-CE2 3.83Å; V589-F638 HydrophobicContact CB-CZ 4.47Å; V589-F638 HydrophobicContact CG1-CE2 4.46Å; V589-F638 HydrophobicContact CG2-CE2 3.71Å; V589-F638 HydrophobicContact CG2-CZ 4.22Å; K615-F638 HydrophobicContact CB-CE1 4.08Å; K615-F638 HydrophobicContact CB-CE2 4.4Å; K615-F638 HydrophobicContact CB-CZ 3.98Å; K615-F638 HydrophobicContact CD-CD1 3.44Å; K615-F638 VanDerWaalsContact CD-CD1 3.44Å; K615-F638 HydrophobicContact CD-CE1 3.66Å; K615-F638 HydrophobicContact CD-CG 4Å; K615-F638 HydrophobicContact CD-CZ 4.36Å; K615-F638 VanDerWaalsContact CE-CD1 3.41Å; K615-F638 HydrophobicContact CG-CD1 3.9Å; K615-F638 HydrophobicContact CG-CE1 3.53Å; K615-F638 HydrophobicContact CG-CZ 3.96Å; V616-F638 WeakPolarHBondContact O-CE1 3.5Å; K636-F638 PolarHBondContact O-N 3.27Å; F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.31Å; F638-G659 WeakPolarHBondContact O-CA 3.48Å; F638-Y660 HydrophobicContact CB-CD1 4.43Å; F638-Y660 HydrophobicContact CB-CD2 4.33Å; F638-Y660 HydrophobicContact CB-CE1 4.08Å; F638-Y660 HydrophobicContact CB-CE2 3.97Å; F638-Y660 AromaticContact CD2-CD2 3.92Å; F638-Y660 HydrophobicContact CD2-CD2 3.92Å; F638-Y660 AromaticContact CD2-CE2 3.62Å; F638-Y660 HydrophobicContact CD2-CE2 3.62Å; F638-Y660 HydrophobicContact CG-CE2 4.24Å; F638-Y660 PolarHBondContact N-O 3.05Å; F638-Y660 WeakPolarHBondContact O-CD1 3.5Å; F638-Y660 PolarHBondContact O-N 3.02Å; F638-Y660 VanDerWaalsContact O-N 3.14Å
639	Q	50.1	Low	55.6	Low	158 Å²	158	68 Å²	68	74%	0.738	33%	0.334	S	S	*	.			trans	-94.3	39.4	172	-58.8	-174.6	21.1	0	0	111.9	R641	Q639-R641 PolarHBondContact O-N 2.83Å
640	D	52.7	Low	58.2	Low	40 Å²	40	61.3 Å²	61.3	21%	0.214	31%	0.309	C	S	.	.			trans	-64	125.2	-171.8	-74.7	21.6	0	0	0	111.1	R591 K615 F638 Q642 Y660	R591-D640 IonicContact CZ-OD2 3.66Å; R591-D640 IonicContact NH1-OD2 3.73Å; R591-D640 PolarHBondContact NH1-OD2 3.22Å; K615-D640 IonicContact NZ-OD1 3.01Å; K615-D640 PolarHBondContact NZ-OD1 2.92Å; K615-D640 IonicContact NZ-OD2 2.74Å; F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.31Å; D640-Q642 PolarHBondContact O-N 3.02Å; D640-Y660 HydrophobicContact CB-CE1 4.32Å
641	R	48.8	Very low	60.6	Low	223 Å²	223	58.6 Å²	58.6	84%	0.842	29%	0.292	S	S	*	.	S	Bend	trans	-78.7	-1	-175	-62.2	-178.5	-177.9	171.6	1.7	114.1	Q639 R657	Q639-R641 PolarHBondContact O-N 2.83Å; R641-R657 PolarHBondContact O-NH1 2.96Å
642	Q	53.2	Low	63	Low	146 Å²	146	57 Å²	57	68%	0.682	28%	0.284	S	S	*	.	S	Bend	trans	-116.6	142.2	176.7	-65	-176.1	1.1	0	0	109	D640	D640-Q642 PolarHBondContact O-N 3.02Å
643	I	57.2	Low	65.2	Low	54 Å²	54	53.1 Å²	53.1	28%	0.277	26%	0.26	S	S	.	.			trans	-83.3	121.5	170.6	-64.3	170.1	0	0	0	106	I650 F692	I643-I650 HydrophobicContact CG2-CD1 3.62Å; I643-I650 HydrophobicContact CG2-CG2 4.31Å; I643-F692 HydrophobicContact CG2-CZ 4.22Å
644	C	55	Low	67.3	Low	32 Å²	32	51 Å²	51	22%	0.216	25%	0.247	C	C	.	.			trans	-125.9	151.3	-173.7	-67.4	0	0	0	0	110.1	L613	L613-C644 HydrophobicContact CD2-CB 4.22Å
645	G	59.1	Low	69.2	Low	23 Å²	23	50.1 Å²	50.1	24%	0.237	24%	0.243	C	C	.	.	S	Bend	trans	109.3	172.3	-174.6	0	0	0	0	0	112.8
646	T	76.1	Confident	70.8	Confident	38 Å²	38	52.6 Å²	52.6	23%	0.233	26%	0.257	C	S	.	.			trans	-79.5	122.9	176.6	-54.6	0	0	0	0	109.2	D592 K594 E648 Y649 I650	D592-T646 WeakPolarHBondContact OD1-CB 3.35Å; D592-T646 PolarHBondContact OD1-N 3.27Å; D592-T646 PolarHBondContact OD1-OG1 3.16Å; K594-T646 HydrophobicContact CD-CG2 4.25Å; K594-T646 WeakPolarHBondContact CD-OG1 3.3Å; K594-T646 PolarHBondContact NZ-OG1 3.43Å; T646-E648 VanDerWaalsContact C-N 3.28Å; T646-E648 PolarHBondContact O-N 2.94Å; T646-Y649 HydrophobicContact CG2-CD2 3.84Å; T646-Y649 HydrophobicContact CG2-CE2 3.86Å; T646-Y649 PolarHBondContact O-N 2.87Å; T646-I650 WeakPolarHBondContact O-CG1 3.34Å
647	P	85.1	Confident	72	Confident	47 Å²	47	55.8 Å²	55.8	31%	0.305	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25	-154.5	23.6	-35.6	0	0	0	115.9	Y649 L691 F692	P647-Y649 VanDerWaalsContact C-N 3.28Å; P647-Y649 PolarHBondContact O-N 2.87Å; P647-L691 HydrophobicContact CB-CD2 4.03Å; P647-L691 HydrophobicContact CG-CD2 4.49Å; P647-F692 HydrophobicContact CB-CE1 3.84Å; P647-F692 HydrophobicContact CB-CZ 4.1Å
648	E	89.7	Confident	72.4	Confident	74 Å²	74	58.8 Å²	58.8	35%	0.346	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.9	-18.6	178.7	-65.6	159.5	-135.1	0	0	113.3	T646 V681 L691	T646-E648 VanDerWaalsContact C-N 3.28Å; T646-E648 PolarHBondContact O-N 2.94Å; E648-V681 HydrophobicContact CB-CB 4.5Å; E648-V681 HydrophobicContact CB-CG1 4.17Å; E648-V681 HydrophobicContact CB-CG2 4.35Å; E648-V681 HydrophobicContact CG-CG2 4.25Å; E648-L691 HydrophobicContact CG-CD2 3.79Å
649	Y	93.3	Very high	72.8	Confident	17 Å²	17	59 Å²	59	7%	0.067	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-108.8	-1	-175.8	-50.5	-96	0	0	0	112.9	K594 P595 T646 P647 V671 I672 E675	K594-Y649 HydrophobicContact CB-CD1 4.16Å; K594-Y649 HydrophobicContact CB-CD2 4Å; K594-Y649 HydrophobicContact CB-CE1 4.01Å; K594-Y649 HydrophobicContact CB-CE2 3.87Å; K594-Y649 HydrophobicContact CB-CG 4.17Å; P595-Y649 VanDerWaalsContact CD-OH 3.3Å; P595-Y649 WeakPolarHBondContact CD-OH 3.49Å; P595-Y649 HydrophobicContact CG-CE1 4.48Å; T646-Y649 HydrophobicContact CG2-CD2 3.84Å; T646-Y649 HydrophobicContact CG2-CE2 3.86Å; T646-Y649 PolarHBondContact O-N 2.87Å; P647-Y649 VanDerWaalsContact C-N 3.28Å; P647-Y649 PolarHBondContact O-N 2.87Å; Y649-V671 HydrophobicContact CD1-CB 4.03Å; Y649-V671 HydrophobicContact CD1-CG1 3.44Å; Y649-V671 VanDerWaalsContact CD1-CG1 3.44Å; Y649-V671 HydrophobicContact CE1-CG1 3.76Å; Y649-V671 HydrophobicContact CG-CG1 4.2Å; Y649-I672 HydrophobicContact CD1-CG1 4.09Å; Y649-I672 HydrophobicContact CE1-CG1 4.04Å; Y649-E675 PolarHBondContact OH-OE2 2.78Å
650	I	90.2	Very high	73.8	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.056	25%	0.251	C	S	.	.			trans	-75.5	129.1	-175	-57.7	-175.6	0	0	0	110.5	I643 T646 V654 I655 W667 F692	I643-I650 HydrophobicContact CG2-CD1 3.62Å; I643-I650 HydrophobicContact CG2-CG2 4.31Å; T646-I650 WeakPolarHBondContact O-CG1 3.34Å; I650-V654 HydrophobicContact CG2-CB 3.69Å; I650-V654 HydrophobicContact CG2-CG1 3.83Å; I650-V654 HydrophobicContact CG2-CG2 4.4Å; I650-I655 HydrophobicContact CB-CG1 4.42Å; I650-I655 HydrophobicContact CG2-CD1 4.42Å; I650-I655 HydrophobicContact CG2-CG1 3.76Å; I650-W667 PolarHBondContact O-NE1 2.88Å; I650-F692 HydrophobicContact CD1-CE1 4.34Å; I650-F692 HydrophobicContact CD1-CZ 4.44Å
651	A	91.8	Very high	75.1	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.241	C	C	.	.			trans	-70.7	146.2	178.3	0	0	0	0	0	112.9	E653 V654 I655 V664 W667	A651-E653 VanDerWaalsContact C-N 3.29Å; A651-E653 PolarHBondContact O-N 2.79Å; A651-V654 HydrophobicContact CB-CG2 4.3Å; A651-V654 WeakPolarHBondContact O-CB 3.47Å; A651-V654 PolarHBondContact O-N 2.86Å; A651-I655 PolarHBondContact O-N 3.37Å; A651-V664 HydrophobicContact CB-CB 4.01Å; A651-V664 HydrophobicContact CB-CG1 4.02Å; A651-W667 HydrophobicContact CB-CB 3.81Å; A651-W667 HydrophobicContact CB-CD2 4.24Å; A651-W667 HydrophobicContact CB-CG 3.66Å
652	P	91.3	Very high	76.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-34	-173.8	20.9	-32	0	0	0	113.7	V654 I655 L656 W667 V695 I696 V723	P652-V654 VanDerWaalsContact C-N 3.27Å; P652-V654 PolarHBondContact O-N 3.43Å; P652-I655 PolarHBondContact O-N 3.03Å; P652-L656 VanDerWaalsContact O-CB 3.27Å; P652-L656 WeakPolarHBondContact O-CB 3.07Å; P652-L656 VanDerWaalsContact O-CG 3.24Å; P652-L656 WeakPolarHBondContact O-CG 3.45Å; P652-L656 PolarHBondContact O-N 3.26Å; P652-W667 HydrophobicContact CG-CE3 4.26Å; P652-W667 HydrophobicContact CG-CH2 4.12Å; P652-W667 HydrophobicContact CG-CZ3 3.94Å; P652-V695 HydrophobicContact CB-CG1 4.18Å; P652-I696 HydrophobicContact CB-CG1 4.27Å; P652-V723 HydrophobicContact CB-CG1 4.15Å; P652-V723 HydrophobicContact CG-CB 4.47Å; P652-V723 HydrophobicContact CG-CG1 4.01Å
653	E	86.7	Confident	78.7	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-27.1	176.7	64.3	-88.5	-155.5	0	0	113.9	A651 R657 Q658 V664 P725 R728	A651-E653 VanDerWaalsContact C-N 3.29Å; A651-E653 PolarHBondContact O-N 2.79Å; E653-R657 PolarHBondContact O-N 3.46Å; E653-Q658 PolarHBondContact O-N 3.34Å; E653-V664 HydrophobicContact CG-CG1 4.19Å; E653-V664 WeakPolarHBondContact OE1-CG1 3.48Å; E653-P725 HydrophobicContact CB-CG 4.4Å; E653-P725 HydrophobicContact CG-CG 4.43Å; E653-R728 IonicContact OE1-CZ 3.61Å; E653-R728 IonicContact OE1-NH1 3.46Å; E653-R728 PolarHBondContact OE1-NH1 3.3Å; E653-R728 IonicContact OE1-NH2 2.82Å; E653-R728 IonicContact OE2-CZ 2.67Å; E653-R728 IonicContact OE2-NH1 3.81Å; E653-R728 PolarHBondContact OE2-NH1 3.03Å; E653-R728 IonicContact OE2-NH2 3.69Å; E653-R728 PolarHBondContact OE2-NH2 3.35Å
654	V	85.3	Confident	80.3	Confident	10 Å²	10	32.5 Å²	32.5	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-74.7	-45.2	174.7	-175.1	0	0	0	0	110	I650 A651 P652 L656 R657 Y660 V664	I650-V654 HydrophobicContact CG2-CB 3.69Å; I650-V654 HydrophobicContact CG2-CG1 3.83Å; I650-V654 HydrophobicContact CG2-CG2 4.4Å; A651-V654 HydrophobicContact CB-CG2 4.3Å; A651-V654 WeakPolarHBondContact O-CB 3.47Å; A651-V654 PolarHBondContact O-N 2.86Å; P652-V654 VanDerWaalsContact C-N 3.27Å; P652-V654 PolarHBondContact O-N 3.43Å; V654-L656 VanDerWaalsContact C-N 3.33Å; V654-L656 PolarHBondContact O-N 3.3Å; V654-R657 PolarHBondContact O-N 3.35Å; V654-R657 VanDerWaalsContact O-N 3.08Å; V654-Y660 HydrophobicContact CB-CD1 4.39Å; V654-Y660 HydrophobicContact CG1-CD1 4.37Å; V654-Y660 HydrophobicContact CG1-CE1 4.09Å; V654-Y660 HydrophobicContact CG2-CD1 3.88Å; V654-Y660 HydrophobicContact CG2-CD2 4.1Å; V654-Y660 HydrophobicContact CG2-CE1 4.24Å; V654-Y660 HydrophobicContact CG2-CE2 4.44Å; V654-Y660 HydrophobicContact CG2-CG 3.8Å; V654-V664 HydrophobicContact CG2-CB 4.33Å; V654-V664 HydrophobicContact CG2-CG1 3.56Å
655	I	84.4	Confident	82.2	Confident	17 Å²	17	31 Å²	31	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-45.3	176.2	-57.7	171.8	0	0	0	110.2	I650 A651 P652 R657 F692 V695 I696	I650-I655 HydrophobicContact CB-CG1 4.42Å; I650-I655 HydrophobicContact CG2-CD1 4.42Å; I650-I655 HydrophobicContact CG2-CG1 3.76Å; A651-I655 PolarHBondContact O-N 3.37Å; P652-I655 PolarHBondContact O-N 3.03Å; I655-R657 PolarHBondContact O-N 3.41Å; I655-F692 HydrophobicContact CD1-CB 4.13Å; I655-F692 HydrophobicContact CD1-CD1 3.53Å; I655-F692 HydrophobicContact CD1-CE1 4.23Å; I655-F692 HydrophobicContact CD1-CG 3.99Å; I655-F692 HydrophobicContact CG1-CD1 4Å; I655-F692 HydrophobicContact CG1-CE1 4.36Å; I655-F692 HydrophobicContact CG1-CG 4.3Å; I655-F692 HydrophobicContact CG2-CB 3.79Å; I655-F692 HydrophobicContact CG2-CD1 4.46Å; I655-F692 HydrophobicContact CG2-CD2 4.23Å; I655-F692 HydrophobicContact CG2-CG 3.92Å; I655-V695 HydrophobicContact CD1-CB 4.02Å; I655-V695 HydrophobicContact CD1-CG1 3.57Å; I655-I696 HydrophobicContact CB-CD1 4.33Å; I655-I696 HydrophobicContact CG2-CD1 3.71Å
656	L	82.9	Confident	84	Confident	80 Å²	80	30 Å²	30	42%	0.419	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.2	177.2	-66.2	169.5	0	0	0	113.5	P652 V654 Q658 I696	P652-L656 VanDerWaalsContact O-CB 3.27Å; P652-L656 WeakPolarHBondContact O-CB 3.07Å; P652-L656 VanDerWaalsContact O-CG 3.24Å; P652-L656 WeakPolarHBondContact O-CG 3.45Å; P652-L656 PolarHBondContact O-N 3.26Å; V654-L656 VanDerWaalsContact C-N 3.33Å; V654-L656 PolarHBondContact O-N 3.3Å; L656-Q658 HydrophobicContact CB-CG 3.76Å; L656-Q658 PolarHBondContact O-N 3.22Å; L656-I696 HydrophobicContact CD1-CG1 4.39Å; L656-I696 HydrophobicContact CD2-CD1 3.73Å; L656-I696 HydrophobicContact CD2-CG1 4.44Å; L656-I696 HydrophobicContact CG-CD1 3.9Å; L656-I696 HydrophobicContact CG-CG1 4.26Å
657	R	73.9	Confident	84.9	Confident	146 Å²	146	28.2 Å²	28.2	55%	0.551	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.4	175.2	-58.2	162	175.5	-103.5	-7.6	113.8	R641 E653 V654 I655 G659	R641-R657 PolarHBondContact O-NH1 2.96Å; E653-R657 PolarHBondContact O-N 3.46Å; V654-R657 PolarHBondContact O-N 3.35Å; V654-R657 VanDerWaalsContact O-N 3.08Å; I655-R657 PolarHBondContact O-N 3.41Å; R657-G659 PolarHBondContact O-N 3.44Å
658	Q	62.3	Low	85.5	Confident	104 Å²	104	26.2 Å²	26.2	49%	0.486	12%	0.124	S	C	.	.	S	Bend	trans	-77.1	-4.4	-171.1	-60.5	-168.4	3.2	0	0	113.8	K636 E653 L656	K636-Q658 WeakPolarHBondContact CD-O 3.33Å; K636-Q658 WeakPolarHBondContact CE-O 3.4Å; K636-Q658 PolarHBondContact NZ-O 3.28Å; E653-Q658 PolarHBondContact O-N 3.34Å; L656-Q658 HydrophobicContact CB-CG 3.76Å; L656-Q658 PolarHBondContact O-N 3.22Å
659	G	60.4	Low	85.8	Confident	9 Å²	9	22.7 Å²	22.7	9%	0.093	11%	0.108	C	C	.	.			trans	85.5	138	-155.3	0	0	0	0	0	109.4	F638 R657	F638-G659 WeakPolarHBondContact O-CA 3.48Å; R657-G659 PolarHBondContact O-N 3.44Å
660	Y	70.7	Confident	86	Confident	9 Å²	9	21.9 Å²	21.9	4%	0.035	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-145.1	168.7	-178.4	66.3	-90.3	0	0	0	111.7	R591 M635 Q637 F638 D640 V654 V664	R591-Y660 WeakPolarHBondContact CD-OH 3.31Å; R591-Y660 HydrophobicContact CG-CE2 4.31Å; R591-Y660 PolarHBondContact NH1-OH 2.79Å; M635-Y660 CarbonylContact O-C 3.42Å; M635-Y660 WeakPolarHBondContact O-CA 3.49Å; M635-Y660 PolarHBondContact O-N 2.72Å; Q637-Y660 PolarHBondContact N-O 3.48Å; F638-Y660 HydrophobicContact CB-CD1 4.43Å; F638-Y660 HydrophobicContact CB-CD2 4.33Å; F638-Y660 HydrophobicContact CB-CE1 4.08Å; F638-Y660 HydrophobicContact CB-CE2 3.97Å; F638-Y660 AromaticContact CD2-CD2 3.92Å; F638-Y660 HydrophobicContact CD2-CD2 3.92Å; F638-Y660 AromaticContact CD2-CE2 3.62Å; F638-Y660 HydrophobicContact CD2-CE2 3.62Å; F638-Y660 HydrophobicContact CG-CE2 4.24Å; F638-Y660 PolarHBondContact N-O 3.05Å; F638-Y660 WeakPolarHBondContact O-CD1 3.5Å; F638-Y660 PolarHBondContact O-N 3.02Å; F638-Y660 VanDerWaalsContact O-N 3.14Å; D640-Y660 HydrophobicContact CB-CE1 4.32Å; V654-Y660 HydrophobicContact CB-CD1 4.39Å; V654-Y660 HydrophobicContact CG1-CD1 4.37Å; V654-Y660 HydrophobicContact CG1-CE1 4.09Å; V654-Y660 HydrophobicContact CG2-CD1 3.88Å; V654-Y660 HydrophobicContact CG2-CD2 4.1Å; V654-Y660 HydrophobicContact CG2-CE1 4.24Å; V654-Y660 HydrophobicContact CG2-CE2 4.44Å; V654-Y660 HydrophobicContact CG2-CG 3.8Å; Y660-V664 HydrophobicContact CD2-CG1 3.58Å; Y660-V664 HydrophobicContact CD2-CG2 4.18Å; Y660-V664 HydrophobicContact CG-CG1 3.93Å
661	G	80.1	Confident	86.4	Confident	2 Å²	2	21.3 Å²	21.3	2%	0.021	10%	0.102	C	C	.	.			trans	-153.2	-147.3	177.5	0	0	0	0	0	110.9	M635 P663 V664	M635-G661 PolarHBondContact O-N 3.23Å; G661-P663 VanDerWaalsContact C-N 3.32Å; G661-P663 WeakPolarHBondContact O-CD 3.21Å; G661-P663 VanDerWaalsContact O-N 3.09Å; G661-V664 WeakPolarHBondContact O-CG2 3.16Å; G661-V664 PolarHBondContact O-N 2.87Å
662	K	87.3	Confident	86.7	Confident	30 Å²	30	21.2 Å²	21.2	13%	0.13	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-39.2	-179.9	-71.4	168.7	178.2	171.8	0	116.8	H584 V589 N620 V664 D665	H584-K662 HydrophobicContact CB-CD 4.12Å; H584-K662 HydrophobicContact CB-CG 4.38Å; H584-K662 PolarHBondContact CE1-O 3.36Å; H584-K662 VanDerWaalsContact CE1-O 3.24Å; H584-K662 WeakPolarHBondContact O-CE 3.33Å; H584-K662 PolarHBondContact O-NZ 2.97Å; V589-K662 HydrophobicContact CG2-CB 4.43Å; V589-K662 HydrophobicContact CG2-CG 3.75Å; N620-K662 PolarHBondContact OD1-NZ 3.39Å; K662-V664 PolarHBondContact O-N 3.17Å; K662-D665 PolarHBondContact O-N 3.18Å
663	P	90.3	Very high	87	Confident	13 Å²	13	21.2 Å²	21.2	8%	0.084	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-16.4	-177.1	-29.3	38.4	0	0	0	117	G661 D665 W666 W667 P725 R728 T731	G661-P663 VanDerWaalsContact C-N 3.32Å; G661-P663 WeakPolarHBondContact O-CD 3.21Å; G661-P663 VanDerWaalsContact O-N 3.09Å; P663-D665 VanDerWaalsContact C-N 3.31Å; P663-D665 PolarHBondContact O-N 3.39Å; P663-W666 PolarHBondContact O-N 2.86Å; P663-W667 PolarHBondContact O-N 2.8Å; P663-P725 HydrophobicContact CB-CB 4.03Å; P663-R728 PolarHBondContact O-NH1 3.14Å; P663-T731 WeakPolarHBondContact CB-OG1 3.42Å; P663-T731 HydrophobicContact CG-CG2 3.94Å; P663-T731 WeakPolarHBondContact CG-OG1 3.47Å
664	V	91.3	Very high	87.5	Confident	10 Å²	10	21.1 Å²	21.1	6%	0.061	10%	0.1	C	C	.	.	H	α-helix	trans	-67.7	-31.9	177.9	-54.6	0	0	0	0	112.5	V589 A651 E653 V654 Y660 G661 K662 W667 A668	V589-V664 HydrophobicContact CG1-CG2 3.66Å; A651-V664 HydrophobicContact CB-CB 4.01Å; A651-V664 HydrophobicContact CB-CG1 4.02Å; E653-V664 HydrophobicContact CG-CG1 4.19Å; E653-V664 WeakPolarHBondContact OE1-CG1 3.48Å; V654-V664 HydrophobicContact CG2-CB 4.33Å; V654-V664 HydrophobicContact CG2-CG1 3.56Å; Y660-V664 HydrophobicContact CD2-CG1 3.58Å; Y660-V664 HydrophobicContact CD2-CG2 4.18Å; Y660-V664 HydrophobicContact CG-CG1 3.93Å; G661-V664 WeakPolarHBondContact O-CG2 3.16Å; G661-V664 PolarHBondContact O-N 2.87Å; K662-V664 PolarHBondContact O-N 3.17Å; V664-W667 PolarHBondContact O-N 2.97Å; V664-A668 PolarHBondContact O-N 3.16Å
665	D	94	Very high	88	Confident	1 Å²	1	22 Å²	22	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-36.1	179.3	-71.9	-21.8	0	0	0	110.5	V580 H584 V589 H590 R591 L593 K662 P663 A668 V669	V580-D665 HydrophobicContact CG1-CB 4.06Å; H584-D665 IonicContact CD2-OD2 2.65Å; H584-D665 IonicContact CE1-OD2 3.16Å; H584-D665 IonicContact NE2-OD2 2.73Å; H584-D665 PolarHBondContact NE2-OD2 3.35Å; V589-D665 VanDerWaalsContact CG1-OD2 3.29Å; V589-D665 WeakPolarHBondContact CG1-OD2 3.07Å; H590-D665 PolarHBondContact N-OD1 3.02Å; H590-D665 PolarHBondContact N-OD2 3.4Å; R591-D665 PolarHBondContact N-OD1 2.88Å; L593-D665 HydrophobicContact CD1-CB 3.62Å; K662-D665 PolarHBondContact O-N 3.18Å; P663-D665 VanDerWaalsContact C-N 3.31Å; P663-D665 PolarHBondContact O-N 3.39Å; D665-A668 PolarHBondContact O-N 2.78Å; D665-V669 WeakPolarHBondContact O-CG2 3.42Å; D665-V669 PolarHBondContact O-N 3.28Å
666	W	96.2	Very high	88.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-65.9	-36.7	175	-61.8	135.3	0	0	0	112.9	V577 V580 H584 P663 V669 G670 L720 G730 A735 V738	V577-W666 HydrophobicContact CG1-CH2 4.38Å; V577-W666 HydrophobicContact CG1-CZ3 4.37Å; V577-W666 HydrophobicContact CG2-CZ3 4.15Å; V580-W666 HydrophobicContact CB-CH2 4.09Å; V580-W666 HydrophobicContact CB-CZ3 4.08Å; V580-W666 HydrophobicContact CG1-CE3 4.18Å; V580-W666 HydrophobicContact CG1-CH2 3.61Å; V580-W666 HydrophobicContact CG1-CZ2 4Å; V580-W666 HydrophobicContact CG1-CZ3 3.72Å; H584-W666 AromaticContact ND1-CZ2 4Å; P663-W666 PolarHBondContact O-N 2.86Å; W666-V669 HydrophobicContact CE3-CG2 4.45Å; W666-V669 PolarHBondContact O-N 2.63Å; W666-G670 PolarHBondContact O-N 2.88Å; W666-L720 HydrophobicContact CB-CD2 4.05Å; W666-G730 PolarHBondContact NE1-O 2.9Å; W666-A735 HydrophobicContact CH2-CB 3.66Å; W666-A735 HydrophobicContact CZ2-CB 3.76Å; W666-V738 HydrophobicContact CD2-CG2 4.18Å; W666-V738 HydrophobicContact CE3-CG2 4.03Å; W666-V738 HydrophobicContact CZ3-CG2 4.21Å
667	W	96.3	Very high	89.2	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-49.3	170.3	172.6	-82.9	0	0	0	111	I650 A651 P652 P663 V664 V669 G670 V671 F683 V695 L721	I650-W667 PolarHBondContact O-NE1 2.88Å; A651-W667 HydrophobicContact CB-CB 3.81Å; A651-W667 HydrophobicContact CB-CD2 4.24Å; A651-W667 HydrophobicContact CB-CG 3.66Å; P652-W667 HydrophobicContact CG-CE3 4.26Å; P652-W667 HydrophobicContact CG-CH2 4.12Å; P652-W667 HydrophobicContact CG-CZ3 3.94Å; P663-W667 PolarHBondContact O-N 2.8Å; V664-W667 PolarHBondContact O-N 2.97Å; W667-V669 VanDerWaalsContact C-N 3.34Å; W667-V669 PolarHBondContact O-N 2.67Å; W667-G670 WeakPolarHBondContact O-CA 3.37Å; W667-G670 PolarHBondContact O-N 3.07Å; W667-V671 PolarHBondContact O-N 2.93Å; W667-F683 AromaticContact CH2-CE2 3.88Å; W667-F683 HydrophobicContact CH2-CE2 3.88Å; W667-F683 HydrophobicContact CH2-CZ 4.1Å; W667-F683 HydrophobicContact CZ2-CD2 4.31Å; W667-F683 AromaticContact CZ2-CE2 3.57Å; W667-F683 HydrophobicContact CZ2-CE2 3.57Å; W667-F683 HydrophobicContact CZ2-CZ 4.25Å; W667-V695 HydrophobicContact CH2-CG1 4.3Å; W667-V695 HydrophobicContact CZ2-CG1 3.77Å; W667-L721 HydrophobicContact CD2-CD2 3.64Å; W667-L721 HydrophobicContact CE3-CB 4.33Å; W667-L721 HydrophobicContact CE3-CD2 3.82Å; W667-L721 HydrophobicContact CG-CD2 4.05Å; W667-L721 HydrophobicContact CH2-CB 4.49Å; W667-L721 HydrophobicContact CH2-CD2 4.39Å; W667-L721 HydrophobicContact CZ2-CD2 4.23Å; W667-L721 HydrophobicContact CZ3-CB 4.1Å; W667-L721 HydrophobicContact CZ3-CD2 4.2Å; W667-L721 WeakPolarHBondContact CZ3-O 3.29Å; W667-L721 VanDerWaalsContact O-CD2 3.26Å; W667-L721 WeakPolarHBondContact O-CD2 3.39Å
668	A	96.5	Very high	90.2	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.041	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-37.6	179.2	0	0	0	0	0	112.6	L593 V664 D665 G670 V671 I672	L593-A668 HydrophobicContact CB-CB 3.76Å; L593-A668 HydrophobicContact CD1-CB 4.47Å; V664-A668 PolarHBondContact O-N 3.16Å; D665-A668 PolarHBondContact O-N 2.78Å; A668-G670 VanDerWaalsContact C-N 3.31Å; A668-G670 PolarHBondContact O-N 2.73Å; A668-V671 PolarHBondContact O-N 2.81Å; A668-I672 WeakPolarHBondContact O-CD1 3.5Å; A668-I672 VanDerWaalsContact O-CG1 3.25Å; A668-I672 WeakPolarHBondContact O-CG1 3.49Å; A668-I672 PolarHBondContact O-N 3.44Å
669	V	97.6	Very high	91.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60	-39.6	170.6	171.9	0	0	0	0	111.6	I573 T576 V580 L593 D665 W666 W667 I672 L673 L720	I573-V669 HydrophobicContact CD1-CG1 4.4Å; I573-V669 HydrophobicContact CG2-CG1 3.88Å; T576-V669 HydrophobicContact CG2-CG2 4.08Å; V580-V669 HydrophobicContact CG2-CG2 4.38Å; L593-V669 HydrophobicContact CD1-CG2 4.07Å; D665-V669 WeakPolarHBondContact O-CG2 3.42Å; D665-V669 PolarHBondContact O-N 3.28Å; W666-V669 HydrophobicContact CE3-CG2 4.45Å; W666-V669 PolarHBondContact O-N 2.63Å; W667-V669 VanDerWaalsContact C-N 3.34Å; W667-V669 PolarHBondContact O-N 2.67Å; V669-I672 PolarHBondContact O-N 2.94Å; V669-L673 WeakPolarHBondContact O-CB 3.2Å; V669-L673 PolarHBondContact O-N 2.69Å; V669-L720 HydrophobicContact CG1-CD1 4.22Å
670	G	97.5	Very high	93.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-39.8	173.3	0	0	0	0	0	113.5	W666 W667 A668 F674	W666-G670 PolarHBondContact O-N 2.88Å; W667-G670 WeakPolarHBondContact O-CA 3.37Å; W667-G670 PolarHBondContact O-N 3.07Å; A668-G670 VanDerWaalsContact C-N 3.31Å; A668-G670 PolarHBondContact O-N 2.73Å; G670-F674 PolarHBondContact O-N 2.64Å; G670-F674 VanDerWaalsContact O-N 3.12Å
671	V	97.5	Very high	94.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-47.5	174.4	174.6	0	0	0	0	110.9	Y649 W667 A668 L673 F674 E675 V681 P682 L721	Y649-V671 HydrophobicContact CD1-CB 4.03Å; Y649-V671 HydrophobicContact CD1-CG1 3.44Å; Y649-V671 VanDerWaalsContact CD1-CG1 3.44Å; Y649-V671 HydrophobicContact CE1-CG1 3.76Å; Y649-V671 HydrophobicContact CG-CG1 4.2Å; W667-V671 PolarHBondContact O-N 2.93Å; A668-V671 PolarHBondContact O-N 2.81Å; V671-L673 PolarHBondContact O-N 3.17Å; V671-F674 PolarHBondContact O-N 2.65Å; V671-E675 PolarHBondContact O-N 2.8Å; V671-V681 HydrophobicContact CG1-CG1 4.2Å; V671-P682 HydrophobicContact CG1-CG 4.48Å; V671-P682 HydrophobicContact CG2-CG 4.38Å; V671-L721 HydrophobicContact CG2-CD2 3.82Å
672	I	97.6	Very high	95	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-42.5	179.7	-64.6	161.3	0	0	0	111.1	I573 L593 P595 L598 Y649 A668 V669 F674 E675 F676	I573-I672 HydrophobicContact CD1-CB 4.31Å; I573-I672 HydrophobicContact CD1-CG2 3.85Å; L593-I672 HydrophobicContact CB-CD1 4.14Å; P595-I672 HydrophobicContact CG-CG1 4.4Å; P595-I672 HydrophobicContact CG-CG2 4.31Å; L598-I672 HydrophobicContact CD1-CG2 4.25Å; Y649-I672 HydrophobicContact CD1-CG1 4.09Å; Y649-I672 HydrophobicContact CE1-CG1 4.04Å; A668-I672 WeakPolarHBondContact O-CD1 3.5Å; A668-I672 VanDerWaalsContact O-CG1 3.25Å; A668-I672 WeakPolarHBondContact O-CG1 3.49Å; A668-I672 PolarHBondContact O-N 3.44Å; V669-I672 PolarHBondContact O-N 2.94Å; I672-F674 PolarHBondContact O-N 2.63Å; I672-E675 PolarHBondContact O-N 3Å; I672-F676 HydrophobicContact CG2-CD1 4.22Å; I672-F676 HydrophobicContact CG2-CD2 4.09Å; I672-F676 HydrophobicContact CG2-CE1 3.84Å; I672-F676 HydrophobicContact CG2-CE2 3.68Å; I672-F676 HydrophobicContact CG2-CG 4.35Å; I672-F676 HydrophobicContact CG2-CZ 3.55Å; I672-F676 WeakPolarHBondContact O-CB 3.46Å; I672-F676 VanDerWaalsContact O-CG 3.31Å; I672-F676 WeakPolarHBondContact O-CG 3.39Å; I672-F676 PolarHBondContact O-N 3.34Å
673	L	97.9	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-40.7	176.6	174.5	61.2	0	0	0	112.1	I573 V669 V671 L677 L716 I717 F743	I573-L673 HydrophobicContact CD1-CB 4.07Å; I573-L673 HydrophobicContact CG1-CB 4.1Å; I573-L673 HydrophobicContact CG1-CD1 4.03Å; V669-L673 WeakPolarHBondContact O-CB 3.2Å; V669-L673 PolarHBondContact O-N 2.69Å; V671-L673 PolarHBondContact O-N 3.17Å; L673-L677 HydrophobicContact CD1-CD1 3.65Å; L673-L677 HydrophobicContact CD1-CG 4.17Å; L673-L677 HydrophobicContact CG-CD1 4.3Å; L673-L677 WeakPolarHBondContact O-CG 3.48Å; L673-L677 PolarHBondContact O-N 3.48Å; L673-L716 HydrophobicContact CD2-CB 4.28Å; L673-L716 HydrophobicContact CD2-CD2 3.52Å; L673-L716 HydrophobicContact CD2-CG 3.8Å; L673-I717 HydrophobicContact CB-CG1 4.35Å; L673-I717 HydrophobicContact CD2-CD1 4.42Å; L673-I717 HydrophobicContact CD2-CG1 3.71Å; L673-I717 HydrophobicContact CG-CD1 4.09Å; L673-I717 HydrophobicContact CG-CG1 3.79Å; L673-F743 HydrophobicContact CD1-CE1 4.08Å; L673-F743 HydrophobicContact CD1-CZ 3.98Å
674	F	97.3	Very high	95.3	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-46.3	173.2	-176.6	-82	0	0	0	111.1	G670 V671 I672 F676 L677 V678 T680 P682 I700 F702 I717	G670-F674 PolarHBondContact O-N 2.64Å; G670-F674 VanDerWaalsContact O-N 3.12Å; V671-F674 PolarHBondContact O-N 2.65Å; I672-F674 PolarHBondContact O-N 2.63Å; F674-F676 PolarHBondContact O-N 3.13Å; F674-L677 PolarHBondContact O-N 2.62Å; F674-V678 HydrophobicContact CD1-CB 4.12Å; F674-V678 HydrophobicContact CD1-CG2 4.11Å; F674-V678 HydrophobicContact CD2-CG2 4.12Å; F674-V678 HydrophobicContact CE1-CB 3.83Å; F674-V678 HydrophobicContact CE1-CG1 3.92Å; F674-V678 HydrophobicContact CE1-CG2 3.91Å; F674-V678 HydrophobicContact CE2-CG2 3.94Å; F674-V678 HydrophobicContact CG-CG2 4.23Å; F674-V678 HydrophobicContact CZ-CB 4.18Å; F674-V678 HydrophobicContact CZ-CG1 4.08Å; F674-V678 HydrophobicContact CZ-CG2 3.84Å; F674-V678 WeakPolarHBondContact O-CB 3.35Å; F674-V678 WeakPolarHBondContact O-CG2 3.49Å; F674-V678 PolarHBondContact O-N 2.88Å; F674-T680 WeakPolarHBondContact CD1-O 3.48Å; F674-T680 VanDerWaalsContact CE1-O 3.23Å; F674-T680 WeakPolarHBondContact CE1-O 3.37Å; F674-P682 HydrophobicContact CB-CG 4.42Å; F674-P682 HydrophobicContact CD1-CB 3.68Å; F674-P682 HydrophobicContact CD1-CG 4.06Å; F674-P682 HydrophobicContact CD2-CB 4.14Å; F674-P682 VanDerWaalsContact CE1-CA 3.43Å; F674-P682 HydrophobicContact CE1-CB 3.73Å; F674-P682 HydrophobicContact CE2-CB 4.17Å; F674-P682 HydrophobicContact CG-CB 3.89Å; F674-P682 HydrophobicContact CG-CG 4.2Å; F674-P682 HydrophobicContact CZ-CB 3.97Å; F674-I700 HydrophobicContact CD2-CG2 4.1Å; F674-I700 HydrophobicContact CE2-CG2 3.7Å; F674-I700 HydrophobicContact CZ-CG2 4.46Å; F674-F702 HydrophobicContact CD2-CD1 4.27Å; F674-F702 AromaticContact CD2-CE1 3.87Å; F674-F702 HydrophobicContact CD2-CE1 3.87Å; F674-F702 HydrophobicContact CD2-CZ 4.4Å; F674-F702 AromaticContact CE2-CD1 3.92Å; F674-F702 HydrophobicContact CE2-CD1 3.92Å; F674-F702 AromaticContact CE2-CE1 3.93Å; F674-F702 HydrophobicContact CE2-CE1 3.93Å; F674-F702 HydrophobicContact CE2-CG 4.44Å; F674-F702 HydrophobicContact CE2-CZ 4.45Å; F674-I717 HydrophobicContact CB-CD1 4.11Å; F674-I717 HydrophobicContact CB-CG2 4.24Å; F674-I717 HydrophobicContact CD2-CD1 4.29Å; F674-I717 HydrophobicContact CD2-CG2 4.15Å
675	E	96.5	Very high	95.1	Very high	28 Å²	28	20 Å²	20	13%	0.131	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-40.5	-179.8	-158	-160	165.4	0	0	112.2	L558 P595 Y649 V671 I672 L677 G679 V681	L558-E675 HydrophobicContact CD2-CB 4.49Å; L558-E675 HydrophobicContact CD2-CG 3.77Å; L558-E675 WeakPolarHBondContact CD2-OE1 3.34Å; P595-E675 WeakPolarHBondContact CG-OE2 3.12Å; Y649-E675 PolarHBondContact OH-OE2 2.78Å; V671-E675 PolarHBondContact O-N 2.8Å; I672-E675 PolarHBondContact O-N 3Å; E675-L677 VanDerWaalsContact C-N 3.34Å; E675-L677 PolarHBondContact O-N 3.28Å; E675-G679 WeakPolarHBondContact O-CA 3.35Å; E675-G679 PolarHBondContact O-N 3.11Å; E675-V681 HydrophobicContact CB-CG1 4.48Å; E675-V681 HydrophobicContact CG-CG1 4.02Å
676	F	96.9	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-38.9	174.6	-75.3	-6	0	0	0	113	C554 L558 V563 L564 A569 I573 P595 L598 I672 F674	C554-F676 HydrophobicContact CB-CE1 4.24Å; C554-F676 HydrophobicContact CB-CZ 4.04Å; L558-F676 HydrophobicContact CD2-CD1 4.26Å; V563-F676 WeakPolarHBondContact CG1-O 3.39Å; L564-F676 HydrophobicContact CB-CB 4.48Å; L564-F676 HydrophobicContact CD1-CB 4.13Å; L564-F676 HydrophobicContact CD1-CD1 3.79Å; L564-F676 HydrophobicContact CD1-CD2 3.9Å; L564-F676 HydrophobicContact CD1-CE1 4.07Å; L564-F676 HydrophobicContact CD1-CE2 4.19Å; L564-F676 HydrophobicContact CD1-CG 3.69Å; L564-F676 HydrophobicContact CD1-CZ 4.27Å; L564-F676 HydrophobicContact CG-CB 4.37Å; L564-F676 HydrophobicContact CG-CD1 4.42Å; L564-F676 HydrophobicContact CG-CG 4.37Å; L564-F676 PolarHBondContact N-O 3.08Å; A569-F676 HydrophobicContact CB-CB 4.12Å; A569-F676 HydrophobicContact CB-CD2 4.34Å; I573-F676 HydrophobicContact CD1-CD2 4.15Å; I573-F676 HydrophobicContact CD1-CE2 4.08Å; I573-F676 HydrophobicContact CG1-CD2 4.2Å; I573-F676 HydrophobicContact CG1-CE2 4.38Å; P595-F676 HydrophobicContact CB-CE1 3.9Å; P595-F676 HydrophobicContact CB-CZ 4.42Å; P595-F676 HydrophobicContact CG-CE1 4.14Å; L598-F676 HydrophobicContact CD1-CZ 4.27Å; I672-F676 HydrophobicContact CG2-CD1 4.22Å; I672-F676 HydrophobicContact CG2-CD2 4.09Å; I672-F676 HydrophobicContact CG2-CE1 3.84Å; I672-F676 HydrophobicContact CG2-CE2 3.68Å; I672-F676 HydrophobicContact CG2-CG 4.35Å; I672-F676 HydrophobicContact CG2-CZ 3.55Å; I672-F676 WeakPolarHBondContact O-CB 3.46Å; I672-F676 VanDerWaalsContact O-CG 3.31Å; I672-F676 WeakPolarHBondContact O-CG 3.39Å; I672-F676 PolarHBondContact O-N 3.34Å; F674-F676 PolarHBondContact O-N 3.13Å
677	L	96.1	Very high	94.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-92.7	-19.7	-174.7	-65	178.9	0	0	0	114.4	V563 V566 A569 L673 F674 E675 P709 A713	V563-L677 WeakPolarHBondContact CG1-O 3.07Å; V566-L677 HydrophobicContact CG2-CD2 4.17Å; A569-L677 HydrophobicContact CB-CD2 3.73Å; A569-L677 HydrophobicContact CB-CG 4.33Å; L673-L677 HydrophobicContact CD1-CD1 3.65Å; L673-L677 HydrophobicContact CD1-CG 4.17Å; L673-L677 HydrophobicContact CG-CD1 4.3Å; L673-L677 WeakPolarHBondContact O-CG 3.48Å; L673-L677 PolarHBondContact O-N 3.48Å; F674-L677 PolarHBondContact O-N 2.62Å; E675-L677 VanDerWaalsContact C-N 3.34Å; E675-L677 PolarHBondContact O-N 3.28Å; L677-P709 HydrophobicContact CB-CB 4.27Å; L677-P709 HydrophobicContact CB-CG 4.18Å; L677-P709 HydrophobicContact CD1-CB 4.19Å; L677-A713 HydrophobicContact CD1-CB 3.63Å
678	V	94.7	Very high	93.9	Very high	34 Å²	34	34.3 Å²	34.3	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-112.3	-24.1	-178.6	-176.9	0	0	0	0	112.5	F674 P703 P709	F674-V678 HydrophobicContact CD1-CB 4.12Å; F674-V678 HydrophobicContact CD1-CG2 4.11Å; F674-V678 HydrophobicContact CD2-CG2 4.12Å; F674-V678 HydrophobicContact CE1-CB 3.83Å; F674-V678 HydrophobicContact CE1-CG1 3.92Å; F674-V678 HydrophobicContact CE1-CG2 3.91Å; F674-V678 HydrophobicContact CE2-CG2 3.94Å; F674-V678 HydrophobicContact CG-CG2 4.23Å; F674-V678 HydrophobicContact CZ-CB 4.18Å; F674-V678 HydrophobicContact CZ-CG1 4.08Å; F674-V678 HydrophobicContact CZ-CG2 3.84Å; F674-V678 WeakPolarHBondContact O-CB 3.35Å; F674-V678 WeakPolarHBondContact O-CG2 3.49Å; F674-V678 PolarHBondContact O-N 2.88Å; V678-P703 HydrophobicContact CG1-CG 4.22Å; V678-P703 HydrophobicContact CG2-CG 4.25Å; V678-P709 HydrophobicContact CG2-CG 3.95Å
679	G	92.7	Very high	93.5	Very high	27 Å²	27	40.3 Å²	40.3	28%	0.278	22%	0.219	S	C	.	.	S	Bend	trans	84	6.8	-178.7	0	0	0	0	0	115.1	T562 E675	T562-G679 WeakPolarHBondContact O-CA 3.48Å; E675-G679 WeakPolarHBondContact O-CA 3.35Å; E675-G679 PolarHBondContact O-N 3.11Å
680	T	92.5	Very high	93.2	Very high	86 Å²	86	44.3 Å²	44.3	53%	0.528	24%	0.238	S	C	.	.	S	Bend	trans	-150.4	150.8	176.1	54.7	0	0	0	0	109.5	F674	F674-T680 WeakPolarHBondContact CD1-O 3.48Å; F674-T680 VanDerWaalsContact CE1-O 3.23Å; F674-T680 WeakPolarHBondContact CE1-O 3.37Å
681	V	94.5	Very high	92.9	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.121	24%	0.241	C	C	.	.			trans	-63	153.4	173	-68.8	0	0	0	0	112.4	E648 V671 E675 F683	E648-V681 HydrophobicContact CB-CB 4.5Å; E648-V681 HydrophobicContact CB-CG1 4.17Å; E648-V681 HydrophobicContact CB-CG2 4.35Å; E648-V681 HydrophobicContact CG-CG2 4.25Å; V671-V681 HydrophobicContact CG1-CG1 4.2Å; E675-V681 HydrophobicContact CB-CG1 4.48Å; E675-V681 HydrophobicContact CG-CG1 4.02Å; V681-F683 VanDerWaalsContact C-N 3.34Å; V681-F683 VanDerWaalsContact CG2-O 3.31Å; V681-F683 WeakPolarHBondContact CG2-O 3.24Å; V681-F683 PolarHBondContact O-N 2.89Å
682	P	94.5	Very high	92.6	Very high	22 Å²	22	46.5 Å²	46.5	14%	0.143	25%	0.248	C	C	.	.	S	Bend	trans	-74.5	-19.2	-175.3	27.2	-31.7	0	0	0	114.4	V671 F674 I700 L721	V671-P682 HydrophobicContact CG1-CG 4.48Å; V671-P682 HydrophobicContact CG2-CG 4.38Å; F674-P682 HydrophobicContact CB-CG 4.42Å; F674-P682 HydrophobicContact CD1-CB 3.68Å; F674-P682 HydrophobicContact CD1-CG 4.06Å; F674-P682 HydrophobicContact CD2-CB 4.14Å; F674-P682 VanDerWaalsContact CE1-CA 3.43Å; F674-P682 HydrophobicContact CE1-CB 3.73Å; F674-P682 HydrophobicContact CE2-CB 4.17Å; F674-P682 HydrophobicContact CG-CB 3.89Å; F674-P682 HydrophobicContact CG-CG 4.2Å; F674-P682 HydrophobicContact CZ-CB 3.97Å; P682-I700 HydrophobicContact CB-CG2 4.14Å; P682-L721 HydrophobicContact CG-CD1 4.1Å
683	F	94.4	Very high	92.3	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.044	27%	0.267	C	S	.	.			trans	-125.5	139	179.4	-51.9	-73.9	0	0	0	110	W667 V681 L691 V695 I700	W667-F683 AromaticContact CH2-CE2 3.88Å; W667-F683 HydrophobicContact CH2-CE2 3.88Å; W667-F683 HydrophobicContact CH2-CZ 4.1Å; W667-F683 HydrophobicContact CZ2-CD2 4.31Å; W667-F683 AromaticContact CZ2-CE2 3.57Å; W667-F683 HydrophobicContact CZ2-CE2 3.57Å; W667-F683 HydrophobicContact CZ2-CZ 4.25Å; V681-F683 VanDerWaalsContact C-N 3.34Å; V681-F683 VanDerWaalsContact CG2-O 3.31Å; V681-F683 WeakPolarHBondContact CG2-O 3.24Å; V681-F683 PolarHBondContact O-N 2.89Å; F683-L691 HydrophobicContact CB-CD1 3.86Å; F683-L691 WeakPolarHBondContact O-CD1 3.43Å; F683-V695 HydrophobicContact CB-CG2 3.82Å; F683-V695 HydrophobicContact CD2-CG2 3.73Å; F683-V695 HydrophobicContact CE2-CG2 4.46Å; F683-V695 HydrophobicContact CG-CG2 3.78Å; F683-I700 HydrophobicContact CE1-CG1 4.27Å; F683-I700 HydrophobicContact CZ-CG1 3.83Å
684	F	88.7	Confident	92	Very high	150 Å²	150	52.3 Å²	52.3	66%	0.658	28%	0.283	S	S	*	.			trans	-142.3	149.3	-178.3	-178.5	-93.6	0	0	0	110.5	H694	F684-H694 PolarHBondContact O-ND1 2.92Å
685	G	87.7	Confident	91.7	Very high	16 Å²	16	52 Å²	52	17%	0.165	28%	0.282	C	S	.	.			trans	-154.1	155.2	173.1	0	0	0	0	0	110.7	T687	G685-T687 VanDerWaalsContact C-N 3.29Å
686	E	88	Confident	91.4	Very high	180 Å²	180	53.6 Å²	53.6	84%	0.841	29%	0.291	S	S	*	.	S	Bend	trans	-77.4	-24.5	175.5	-60.1	-171.4	-174.3	0	0	111	E690	E686-E690 PolarHBondContact N-OE2 3.36Å; E686-E690 VanDerWaalsContact N-OE2 3.08Å
687	T	88.7	Confident	90.9	Very high	59 Å²	59	58 Å²	58	36%	0.362	32%	0.321	S	S	.	.	S	Bend	trans	-118.5	154.1	170.9	56.9	0	0	0	0	111.3	G685 E689 E690 L691	G685-T687 VanDerWaalsContact C-N 3.29Å; T687-E689 PolarHBondContact O-N 3.13Å; T687-E690 PolarHBondContact N-OE2 3.27Å; T687-E690 PolarHBondContact O-N 3.44Å; T687-E690 WeakPolarHBondContact OG1-CB 3.48Å; T687-E690 WeakPolarHBondContact OG1-CG 3.22Å; T687-E690 PolarHBondContact OG1-N 3.09Å; T687-E690 PolarHBondContact OG1-OE2 2.85Å; T687-L691 PolarHBondContact O-N 3Å
688	P	85.1	Confident	90.4	Very high	65 Å²	65	59.7 Å²	59.7	42%	0.422	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-30	174.1	25.1	-31.1	0	0	0	111.8	L691 F692	P688-L691 PolarHBondContact O-N 3.08Å; P688-F692 HydrophobicContact CB-CE2 4.34Å; P688-F692 VanDerWaalsContact O-CB 3.3Å; P688-F692 WeakPolarHBondContact O-CB 3.49Å; P688-F692 VanDerWaalsContact O-CD2 3.23Å; P688-F692 WeakPolarHBondContact O-CD2 3.17Å; P688-F692 WeakPolarHBondContact O-CG 3.32Å; P688-F692 PolarHBondContact O-N 2.89Å
689	E	87.8	Confident	90	Very high	130 Å²	130	66.7 Å²	66.7	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-63	-41.3	173.7	-67.7	72.2	-159.4	0	0	112.7	T687 A693	T687-E689 PolarHBondContact O-N 3.13Å; E689-A693 WeakPolarHBondContact O-CB 3.45Å; E689-A693 PolarHBondContact O-N 3.43Å
690	E	90.6	Very high	89.9	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.393	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-42.8	174	-74.5	163.6	155.6	0	0	112.1	E686 T687 F692 A693 H694	E686-E690 PolarHBondContact N-OE2 3.36Å; E686-E690 VanDerWaalsContact N-OE2 3.08Å; T687-E690 PolarHBondContact N-OE2 3.27Å; T687-E690 PolarHBondContact O-N 3.44Å; T687-E690 WeakPolarHBondContact OG1-CB 3.48Å; T687-E690 WeakPolarHBondContact OG1-CG 3.22Å; T687-E690 PolarHBondContact OG1-N 3.09Å; T687-E690 PolarHBondContact OG1-OE2 2.85Å; E690-F692 VanDerWaalsContact C-N 3.33Å; E690-F692 PolarHBondContact O-N 2.8Å; E690-A693 WeakPolarHBondContact O-CB 3.39Å; E690-A693 PolarHBondContact O-N 3.35Å; E690-H694 PolarHBondContact O-N 2.74Å; E690-H694 PolarHBondContact O-ND1 3.3Å
691	L	91.6	Very high	89.8	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-47.4	175.3	172.1	58.9	0	0	0	110.8	P647 E648 F683 T687 P688 H694 V695	P647-L691 HydrophobicContact CB-CD2 4.03Å; P647-L691 HydrophobicContact CG-CD2 4.49Å; E648-L691 HydrophobicContact CG-CD2 3.79Å; F683-L691 HydrophobicContact CB-CD1 3.86Å; F683-L691 WeakPolarHBondContact O-CD1 3.43Å; T687-L691 PolarHBondContact O-N 3Å; P688-L691 PolarHBondContact O-N 3.08Å; L691-H694 PolarHBondContact O-N 2.86Å; L691-V695 HydrophobicContact CD1-CG2 4.42Å; L691-V695 WeakPolarHBondContact O-CG2 3.41Å; L691-V695 PolarHBondContact O-N 2.92Å
692	F	91.6	Very high	89.7	Confident	35 Å²	35	69.3 Å²	69.3	15%	0.154	37%	0.371	C	S	.	.	H	α-helix	trans	-64	-38.2	175.5	-67.2	-18.4	0	0	0	112.7	I643 P647 I650 I655 P688 E690 V695 I696	I643-F692 HydrophobicContact CG2-CZ 4.22Å; P647-F692 HydrophobicContact CB-CE1 3.84Å; P647-F692 HydrophobicContact CB-CZ 4.1Å; I650-F692 HydrophobicContact CD1-CE1 4.34Å; I650-F692 HydrophobicContact CD1-CZ 4.44Å; I655-F692 HydrophobicContact CD1-CB 4.13Å; I655-F692 HydrophobicContact CD1-CD1 3.53Å; I655-F692 HydrophobicContact CD1-CE1 4.23Å; I655-F692 HydrophobicContact CD1-CG 3.99Å; I655-F692 HydrophobicContact CG1-CD1 4Å; I655-F692 HydrophobicContact CG1-CE1 4.36Å; I655-F692 HydrophobicContact CG1-CG 4.3Å; I655-F692 HydrophobicContact CG2-CB 3.79Å; I655-F692 HydrophobicContact CG2-CD1 4.46Å; I655-F692 HydrophobicContact CG2-CD2 4.23Å; I655-F692 HydrophobicContact CG2-CG 3.92Å; P688-F692 HydrophobicContact CB-CE2 4.34Å; P688-F692 VanDerWaalsContact O-CB 3.3Å; P688-F692 WeakPolarHBondContact O-CB 3.49Å; P688-F692 VanDerWaalsContact O-CD2 3.23Å; P688-F692 WeakPolarHBondContact O-CD2 3.17Å; P688-F692 WeakPolarHBondContact O-CG 3.32Å; P688-F692 PolarHBondContact O-N 2.89Å; E690-F692 VanDerWaalsContact C-N 3.33Å; E690-F692 PolarHBondContact O-N 2.8Å; F692-V695 PolarHBondContact O-N 2.64Å; F692-I696 WeakPolarHBondContact O-CD1 3.46Å; F692-I696 WeakPolarHBondContact O-CG1 3.45Å; F692-I696 PolarHBondContact O-N 2.99Å
693	A	90.4	Very high	89.5	Confident	48 Å²	48	70 Å²	70	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-40.6	173	0	0	0	0	0	111.8	E689 E690 I696 S697	E689-A693 WeakPolarHBondContact O-CB 3.45Å; E689-A693 PolarHBondContact O-N 3.43Å; E690-A693 WeakPolarHBondContact O-CB 3.39Å; E690-A693 PolarHBondContact O-N 3.35Å; A693-I696 PolarHBondContact O-N 2.89Å; A693-S697 WeakPolarHBondContact O-CB 3.42Å; A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 2.9Å
694	H	91.8	Very high	89.2	Confident	74 Å²	74	76.4 Å²	76.4	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-43.5	175.8	-65.5	146.1	0	0	0	112.2	F684 E690 L691 I696 S697 S698	F684-H694 PolarHBondContact O-ND1 2.92Å; E690-H694 PolarHBondContact O-N 2.74Å; E690-H694 PolarHBondContact O-ND1 3.3Å; L691-H694 PolarHBondContact O-N 2.86Å; H694-I696 PolarHBondContact O-N 3.04Å; H694-S697 PolarHBondContact O-N 3.06Å; H694-S698 WeakPolarHBondContact CA-OG 3.47Å; H694-S698 PolarHBondContact CD2-OG 2.73Å; H694-S698 VanDerWaalsContact O-CB 3.26Å; H694-S698 WeakPolarHBondContact O-CB 3.42Å; H694-S698 PolarHBondContact O-N 2.88Å; H694-S698 PolarHBondContact O-OG 2.92Å
695	V	91.1	Very high	89	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.006	41%	0.413	C	S	.	.	H	α-helix	trans	-55.3	-35.3	173.9	165.3	0	0	0	0	112.6	P652 I655 W667 F683 L691 F692	P652-V695 HydrophobicContact CB-CG1 4.18Å; I655-V695 HydrophobicContact CD1-CB 4.02Å; I655-V695 HydrophobicContact CD1-CG1 3.57Å; W667-V695 HydrophobicContact CH2-CG1 4.3Å; W667-V695 HydrophobicContact CZ2-CG1 3.77Å; F683-V695 HydrophobicContact CB-CG2 3.82Å; F683-V695 HydrophobicContact CD2-CG2 3.73Å; F683-V695 HydrophobicContact CE2-CG2 4.46Å; F683-V695 HydrophobicContact CG-CG2 3.78Å; L691-V695 HydrophobicContact CD1-CG2 4.42Å; L691-V695 WeakPolarHBondContact O-CG2 3.41Å; L691-V695 PolarHBondContact O-N 2.92Å; F692-V695 PolarHBondContact O-N 2.64Å
696	I	89.5	Confident	88.7	Confident	61 Å²	61	82.3 Å²	82.3	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-84.3	-27.7	-179.5	-68	162.4	0	0	0	113	P652 I655 L656 F692 A693 H694	P652-I696 HydrophobicContact CB-CG1 4.27Å; I655-I696 HydrophobicContact CB-CD1 4.33Å; I655-I696 HydrophobicContact CG2-CD1 3.71Å; L656-I696 HydrophobicContact CD1-CG1 4.39Å; L656-I696 HydrophobicContact CD2-CD1 3.73Å; L656-I696 HydrophobicContact CD2-CG1 4.44Å; L656-I696 HydrophobicContact CG-CD1 3.9Å; L656-I696 HydrophobicContact CG-CG1 4.26Å; F692-I696 WeakPolarHBondContact O-CD1 3.46Å; F692-I696 WeakPolarHBondContact O-CG1 3.45Å; F692-I696 PolarHBondContact O-N 2.99Å; A693-I696 PolarHBondContact O-N 2.89Å; H694-I696 PolarHBondContact O-N 3.04Å
697	S	86.9	Confident	88.4	Confident	92 Å²	92	81.3 Å²	81.3	64%	0.643	43%	0.43	S	S	*	.	H	α-helix	trans	-132	-5.8	-163.2	69.7	0	0	0	0	117.1	A693 H694	A693-S697 WeakPolarHBondContact O-CB 3.42Å; A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 2.9Å; H694-S697 PolarHBondContact O-N 3.06Å
698	S	84.8	Confident	88.4	Confident	48 Å²	48	81.2 Å²	81.2	34%	0.336	43%	0.431	S	S	.	.			trans	-103.9	138.8	-177.2	-60.5	0	0	0	0	112.4	H694	H694-S698 WeakPolarHBondContact CA-OG 3.47Å; H694-S698 PolarHBondContact CD2-OG 2.73Å; H694-S698 VanDerWaalsContact O-CB 3.26Å; H694-S698 WeakPolarHBondContact O-CB 3.42Å; H694-S698 PolarHBondContact O-N 2.88Å; H694-S698 PolarHBondContact O-OG 2.92Å
699	E	86.9	Confident	88.8	Confident	182 Å²	182	78.6 Å²	78.6	85%	0.85	41%	0.414	S	S	*	.			trans	-74.4	145.2	169.4	-64.8	178.7	176.5	0	0	110.7	V701	E699-V701 PolarHBondContact O-N 2.82Å
700	I	91	Very high	89.1	Confident	36 Å²	36	74.6 Å²	74.6	19%	0.185	40%	0.399	C	S	.	.			trans	-73.7	114.9	-178.6	-58.2	153.4	0	0	0	109.7	F674 P682 F683 F702 L721	F674-I700 HydrophobicContact CD2-CG2 4.1Å; F674-I700 HydrophobicContact CE2-CG2 3.7Å; F674-I700 HydrophobicContact CZ-CG2 4.46Å; P682-I700 HydrophobicContact CB-CG2 4.14Å; F683-I700 HydrophobicContact CE1-CG1 4.27Å; F683-I700 HydrophobicContact CZ-CG1 3.83Å; I700-F702 HydrophobicContact CB-CE2 4.02Å; I700-F702 HydrophobicContact CG2-CD2 4.07Å; I700-F702 HydrophobicContact CG2-CE2 3.53Å; I700-F702 HydrophobicContact CG2-CZ 3.79Å; I700-F702 WeakPolarHBondContact O-CD2 3.44Å; I700-L721 HydrophobicContact CD1-CB 3.58Å; I700-L721 HydrophobicContact CD1-CD1 3.76Å; I700-L721 HydrophobicContact CD1-CG 4.31Å; I700-L721 HydrophobicContact CG1-CD1 4.46Å
701	V	91.2	Very high	89.2	Confident	122 Å²	122	76.6 Å²	76.6	74%	0.739	42%	0.418	S	S	*	.			trans	-90.1	110.1	178.1	-176.8	0	0	0	0	109.9	E699	E699-V701 PolarHBondContact O-N 2.82Å
702	F	92.4	Very high	89.4	Confident	30 Å²	30	77.9 Å²	77.9	13%	0.132	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-83.3	148.5	172.6	-66.9	-94.3	0	0	0	110.9	F674 I700 P709 V714 I717 R718	F674-F702 HydrophobicContact CD2-CD1 4.27Å; F674-F702 AromaticContact CD2-CE1 3.87Å; F674-F702 HydrophobicContact CD2-CE1 3.87Å; F674-F702 HydrophobicContact CD2-CZ 4.4Å; F674-F702 AromaticContact CE2-CD1 3.92Å; F674-F702 HydrophobicContact CE2-CD1 3.92Å; F674-F702 AromaticContact CE2-CE1 3.93Å; F674-F702 HydrophobicContact CE2-CE1 3.93Å; F674-F702 HydrophobicContact CE2-CG 4.44Å; F674-F702 HydrophobicContact CE2-CZ 4.45Å; I700-F702 HydrophobicContact CB-CE2 4.02Å; I700-F702 HydrophobicContact CG2-CD2 4.07Å; I700-F702 HydrophobicContact CG2-CE2 3.53Å; I700-F702 HydrophobicContact CG2-CZ 3.79Å; I700-F702 WeakPolarHBondContact O-CD2 3.44Å; F702-P709 HydrophobicContact CD1-CG 4.4Å; F702-V714 HydrophobicContact CD1-CB 4.49Å; F702-V714 HydrophobicContact CD1-CG1 4.16Å; F702-V714 HydrophobicContact CD1-CG2 3.84Å; F702-V714 HydrophobicContact CD2-CG1 4.28Å; F702-V714 HydrophobicContact CE1-CB 4.19Å; F702-V714 HydrophobicContact CE1-CG1 3.91Å; F702-V714 HydrophobicContact CE1-CG2 3.93Å; F702-V714 HydrophobicContact CE2-CG1 4.04Å; F702-V714 HydrophobicContact CG-CG1 4.33Å; F702-V714 HydrophobicContact CZ-CG1 3.85Å; F702-I717 HydrophobicContact CE1-CB 4.29Å; F702-I717 HydrophobicContact CE1-CD1 3.99Å; F702-I717 HydrophobicContact CE1-CG2 4.11Å; F702-I717 HydrophobicContact CZ-CB 4.14Å; F702-I717 HydrophobicContact CZ-CG2 3.79Å; F702-R718 HydrophobicContact CE2-CG 4.21Å; F702-R718 HydrophobicContact CZ-CG 4.3Å
703	P	90.4	Very high	89.7	Confident	36 Å²	36	76.2 Å²	76.2	23%	0.234	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-69.9	150.5	178.7	29.3	-35.8	0	0	0	112.7	V678 Y707 C708	V678-P703 HydrophobicContact CG1-CG 4.22Å; V678-P703 HydrophobicContact CG2-CG 4.25Å; P703-Y707 VanDerWaalsContact CG-O 3.31Å; P703-Y707 WeakPolarHBondContact CG-O 3.44Å; P703-C708 WeakPolarHBondContact O-CA 3.35Å; P703-C708 VanDerWaalsContact O-CB 3.32Å; P703-C708 WeakPolarHBondContact O-CB 3.5Å
704	E	88	Confident	89.9	Confident	145 Å²	145	74.4 Å²	74.4	68%	0.678	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-70	158.3	176	-65.1	176.5	-178.6	0	0	112.3	Y707 C708	E704-Y707 PolarHBondContact O-N 2.87Å; E704-C708 PolarHBondContact O-N 3.44Å
705	E	83	Confident	90.2	Very high	175 Å²	175	74.9 Å²	74.9	82%	0.818	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	143.8	174.1	-69.9	-176.5	-172.8	0	0	112.1	C708	E705-C708 HydrophobicContact CG-CB 4.29Å
706	P	81.3	Confident	90.5	Very high	114 Å²	114	74.8 Å²	74.8	74%	0.74	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.6	13.9	6.2	37.7	-38.8	0	0	0	114.4
707	Y	83.5	Confident	90.9	Very high	160 Å²	160	71.9 Å²	71.9	63%	0.627	39%	0.391	S	S	*	.	S	Bend	trans	-96.8	-1.5	-175.1	-54.5	-80.9	0	0	0	113.8	P703 E704	P703-Y707 VanDerWaalsContact CG-O 3.31Å; P703-Y707 WeakPolarHBondContact CG-O 3.44Å; E704-Y707 PolarHBondContact O-N 2.87Å
708	C	88.8	Confident	91.3	Very high	57 Å²	57	73.4 Å²	73.4	39%	0.385	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.4	130.2	175.4	-168.2	0	0	0	0	110.9	P703 E704 E705	P703-C708 WeakPolarHBondContact O-CA 3.35Å; P703-C708 VanDerWaalsContact O-CB 3.32Å; P703-C708 WeakPolarHBondContact O-CB 3.5Å; E704-C708 PolarHBondContact O-N 3.44Å; E705-C708 HydrophobicContact CG-CB 4.29Å
709	P	92.3	Very high	91.8	Very high	10 Å²	10	72.6 Å²	72.6	7%	0.065	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-61.5	158.1	172.2	-22.4	33.6	0	0	0	112.4	L677 V678 F702 A713 V714	L677-P709 HydrophobicContact CB-CB 4.27Å; L677-P709 HydrophobicContact CB-CG 4.18Å; L677-P709 HydrophobicContact CD1-CB 4.19Å; V678-P709 HydrophobicContact CG2-CG 3.95Å; F702-P709 HydrophobicContact CD1-CG 4.4Å; P709-A713 HydrophobicContact CB-CB 4.43Å; P709-V714 HydrophobicContact CB-CG2 3.96Å; P709-V714 HydrophobicContact CG-CG2 4.45Å; P709-V714 WeakPolarHBondContact O-CG2 3.44Å
710	P	94	Very high	92.3	Very high	45 Å²	45	63.9 Å²	63.9	29%	0.292	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-52.4	146.6	175.1	-29.1	37.6	0	0	0	113.4	V566 D712 A713 V714	V566-P710 HydrophobicContact CB-CG 4.44Å; V566-P710 HydrophobicContact CG1-CG 3.86Å; V566-P710 HydrophobicContact CG2-CG 3.68Å; P710-D712 VanDerWaalsContact C-N 3.27Å; P710-D712 WeakPolarHBondContact CB-OD1 3.47Å; P710-D712 PolarHBondContact O-N 3.28Å; P710-A713 HydrophobicContact CB-CB 4.27Å; P710-A713 WeakPolarHBondContact O-CA 3.34Å; P710-A713 WeakPolarHBondContact O-CB 3.29Å; P710-A713 PolarHBondContact O-N 2.83Å; P710-V714 WeakPolarHBondContact O-CG2 3.5Å; P710-V714 PolarHBondContact O-N 3.43Å
711	T	93.8	Very high	92.6	Very high	127 Å²	127	62.6 Å²	62.6	78%	0.779	33%	0.329	S	S	*	.	H	α-helix	trans	-60.1	-36.1	-172.5	48.4	0	0	0	0	113.4	D715	T711-D715 WeakPolarHBondContact O-CB 3.39Å; T711-D715 PolarHBondContact O-N 2.72Å
712	D	95.7	Very high	92.7	Very high	38 Å²	38	60.4 Å²	60.4	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-37.1	173	56.6	-38.4	0	0	0	112.7	R570 P710 L716 H741 F743	R570-D712 IonicContact NH2-OD2 3.64Å; P710-D712 VanDerWaalsContact C-N 3.27Å; P710-D712 WeakPolarHBondContact CB-OD1 3.47Å; P710-D712 PolarHBondContact O-N 3.28Å; D712-L716 WeakPolarHBondContact O-CB 3.45Å; D712-L716 PolarHBondContact O-N 2.91Å; D712-H741 PolarHBondContact O-CE1 2.96Å; D712-F743 HydrophobicContact CB-CB 4.2Å; D712-F743 WeakPolarHBondContact OD2-CA 3.18Å; D712-F743 WeakPolarHBondContact OD2-CD2 3.41Å
713	A	96.6	Very high	92.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-41.9	173.4	0	0	0	0	0	111.9	L677 P709 P710 D715 L716 I717 F743	L677-A713 HydrophobicContact CD1-CB 3.63Å; P709-A713 HydrophobicContact CB-CB 4.43Å; P710-A713 HydrophobicContact CB-CB 4.27Å; P710-A713 WeakPolarHBondContact O-CA 3.34Å; P710-A713 WeakPolarHBondContact O-CB 3.29Å; P710-A713 PolarHBondContact O-N 2.83Å; A713-D715 VanDerWaalsContact C-N 3.33Å; A713-D715 PolarHBondContact O-N 3.33Å; A713-L716 PolarHBondContact O-N 3.27Å; A713-I717 WeakPolarHBondContact O-CD1 3.38Å; A713-I717 VanDerWaalsContact O-CG1 3.22Å; A713-I717 WeakPolarHBondContact O-CG1 3.48Å; A713-I717 PolarHBondContact O-N 2.81Å; A713-F743 HydrophobicContact CB-CD2 3.71Å; A713-F743 HydrophobicContact CB-CE2 3.6Å; A713-F743 HydrophobicContact CB-CZ 4.43Å
714	V	96.2	Very high	92.5	Very high	10 Å²	10	63.6 Å²	63.6	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-40.8	176	173.7	0	0	0	0	111.3	F702 P709 P710 R718	F702-V714 HydrophobicContact CD1-CB 4.49Å; F702-V714 HydrophobicContact CD1-CG1 4.16Å; F702-V714 HydrophobicContact CD1-CG2 3.84Å; F702-V714 HydrophobicContact CD2-CG1 4.28Å; F702-V714 HydrophobicContact CE1-CB 4.19Å; F702-V714 HydrophobicContact CE1-CG1 3.91Å; F702-V714 HydrophobicContact CE1-CG2 3.93Å; F702-V714 HydrophobicContact CE2-CG1 4.04Å; F702-V714 HydrophobicContact CG-CG1 4.33Å; F702-V714 HydrophobicContact CZ-CG1 3.85Å; P709-V714 HydrophobicContact CB-CG2 3.96Å; P709-V714 HydrophobicContact CG-CG2 4.45Å; P709-V714 WeakPolarHBondContact O-CG2 3.44Å; P710-V714 WeakPolarHBondContact O-CG2 3.5Å; P710-V714 PolarHBondContact O-N 3.43Å; V714-R718 WeakPolarHBondContact O-CG 3.44Å; V714-R718 PolarHBondContact O-N 3.2Å
715	D	96.4	Very high	92.4	Very high	83 Å²	83	57.7 Å²	57.7	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-42.6	177.3	-155.2	42.2	0	0	0	111.3	T711 A713 R718 S719 H741	T711-D715 WeakPolarHBondContact O-CB 3.39Å; T711-D715 PolarHBondContact O-N 2.72Å; A713-D715 VanDerWaalsContact C-N 3.33Å; A713-D715 PolarHBondContact O-N 3.33Å; D715-R718 PolarHBondContact O-N 3.37Å; D715-S719 WeakPolarHBondContact O-CB 3.43Å; D715-S719 PolarHBondContact O-N 3.27Å; D715-S719 PolarHBondContact O-OG 3.27Å; D715-H741 IonicContact OD2-NE2 2.71Å
716	L	97.5	Very high	92.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-47.5	174.2	-179.3	55	0	0	0	111.8	L673 D712 A713 R718 S719 L720 L729 V738 H741 F743 F744	L673-L716 HydrophobicContact CD2-CB 4.28Å; L673-L716 HydrophobicContact CD2-CD2 3.52Å; L673-L716 HydrophobicContact CD2-CG 3.8Å; D712-L716 WeakPolarHBondContact O-CB 3.45Å; D712-L716 PolarHBondContact O-N 2.91Å; A713-L716 PolarHBondContact O-N 3.27Å; L716-R718 VanDerWaalsContact C-N 3.34Å; L716-R718 PolarHBondContact O-N 3.31Å; L716-S719 PolarHBondContact O-N 2.65Å; L716-S719 VanDerWaalsContact O-N 3.11Å; L716-L720 HydrophobicContact CD1-CD1 3.73Å; L716-L720 HydrophobicContact CD1-CG 3.91Å; L716-L720 HydrophobicContact CG-CD1 3.83Å; L716-L720 HydrophobicContact CG-CG 4.4Å; L716-L720 WeakPolarHBondContact O-CG 3.39Å; L716-L720 PolarHBondContact O-N 3.06Å; L716-L729 HydrophobicContact CD1-CD2 3.6Å; L716-V738 HydrophobicContact CD1-CG1 4.48Å; L716-H741 HydrophobicContact CD1-CB 4.11Å; L716-H741 PolarHBondContact N-CE1 3.34Å; L716-H741 VanDerWaalsContact N-CE1 3.3Å; L716-F743 HydrophobicContact CB-CB 4.35Å; L716-F743 HydrophobicContact CD2-CB 3.95Å; L716-F743 HydrophobicContact CD2-CD1 3.38Å; L716-F743 HydrophobicContact CD2-CE1 4.11Å; L716-F743 HydrophobicContact CD2-CG 3.9Å; L716-F744 HydrophobicContact CD1-CE2 4.39Å; L716-F744 HydrophobicContact CD2-CD2 4.41Å; L716-F744 HydrophobicContact CD2-CE2 3.47Å; L716-F744 VanDerWaalsContact CD2-CE2 3.47Å; L716-F744 HydrophobicContact CD2-CZ 3.66Å
717	I	97.6	Very high	92.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-44.8	178.3	-68.2	162	0	0	0	110.4	L673 F674 F702 A713 S719 L720 L721	L673-I717 HydrophobicContact CB-CG1 4.35Å; L673-I717 HydrophobicContact CD2-CD1 4.42Å; L673-I717 HydrophobicContact CD2-CG1 3.71Å; L673-I717 HydrophobicContact CG-CD1 4.09Å; L673-I717 HydrophobicContact CG-CG1 3.79Å; F674-I717 HydrophobicContact CB-CD1 4.11Å; F674-I717 HydrophobicContact CB-CG2 4.24Å; F674-I717 HydrophobicContact CD2-CD1 4.29Å; F674-I717 HydrophobicContact CD2-CG2 4.15Å; F702-I717 HydrophobicContact CE1-CB 4.29Å; F702-I717 HydrophobicContact CE1-CD1 3.99Å; F702-I717 HydrophobicContact CE1-CG2 4.11Å; F702-I717 HydrophobicContact CZ-CB 4.14Å; F702-I717 HydrophobicContact CZ-CG2 3.79Å; A713-I717 WeakPolarHBondContact O-CD1 3.38Å; A713-I717 VanDerWaalsContact O-CG1 3.22Å; A713-I717 WeakPolarHBondContact O-CG1 3.48Å; A713-I717 PolarHBondContact O-N 2.81Å; I717-S719 VanDerWaalsContact C-N 3.26Å; I717-S719 PolarHBondContact O-N 2.72Å; I717-L720 PolarHBondContact O-N 2.82Å; I717-L721 HydrophobicContact CG2-CD1 3.7Å; I717-L721 HydrophobicContact CG2-CG 4.28Å; I717-L721 VanDerWaalsContact O-CB 3.29Å; I717-L721 WeakPolarHBondContact O-CB 3.43Å; I717-L721 WeakPolarHBondContact O-CG 3.3Å; I717-L721 PolarHBondContact O-N 2.66Å
718	R	96.2	Very high	93.4	Very high	124 Å²	124	44.8 Å²	44.8	47%	0.468	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-31.8	175.8	-74.9	174.1	-178.4	148.9	4.7	113	F702 V714 D715 L716 Q722	F702-R718 HydrophobicContact CE2-CG 4.21Å; F702-R718 HydrophobicContact CZ-CG 4.3Å; V714-R718 WeakPolarHBondContact O-CG 3.44Å; V714-R718 PolarHBondContact O-N 3.2Å; D715-R718 PolarHBondContact O-N 3.37Å; L716-R718 VanDerWaalsContact C-N 3.34Å; L716-R718 PolarHBondContact O-N 3.31Å; R718-Q722 PolarHBondContact O-NE2 3.04Å
719	S	96	Very high	93.6	Very high	30 Å²	30	43.6 Å²	43.6	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-79.4	-33.2	-179.5	-56.1	0	0	0	0	112.1	D715 L716 I717 L729	D715-S719 WeakPolarHBondContact O-CB 3.43Å; D715-S719 PolarHBondContact O-N 3.27Å; D715-S719 PolarHBondContact O-OG 3.27Å; L716-S719 PolarHBondContact O-N 2.65Å; L716-S719 VanDerWaalsContact O-N 3.11Å; I717-S719 VanDerWaalsContact C-N 3.26Å; I717-S719 PolarHBondContact O-N 2.72Å; S719-L729 PolarHBondContact O-N 3.42Å
720	L	96.8	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-80.2	-29.5	174.3	-69.4	172.3	0	0	0	113.4	W666 V669 L716 I717 R728 L729 V738	W666-L720 HydrophobicContact CB-CD2 4.05Å; V669-L720 HydrophobicContact CG1-CD1 4.22Å; L716-L720 HydrophobicContact CD1-CD1 3.73Å; L716-L720 HydrophobicContact CD1-CG 3.91Å; L716-L720 HydrophobicContact CG-CD1 3.83Å; L716-L720 HydrophobicContact CG-CG 4.4Å; L716-L720 WeakPolarHBondContact O-CG 3.39Å; L716-L720 PolarHBondContact O-N 3.06Å; I717-L720 PolarHBondContact O-N 2.82Å; L720-R728 WeakPolarHBondContact O-CD 3.21Å; L720-R728 WeakPolarHBondContact O-CG 3.27Å; L720-L729 HydrophobicContact CD2-CB 4.28Å; L720-V738 HydrophobicContact CD2-CG2 4.13Å
721	L	96.4	Very high	93	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	33.5	-179.7	-60.6	-176.9	0	0	0	113.2	W667 V671 P682 I700 I717 V723	W667-L721 HydrophobicContact CD2-CD2 3.64Å; W667-L721 HydrophobicContact CE3-CB 4.33Å; W667-L721 HydrophobicContact CE3-CD2 3.82Å; W667-L721 HydrophobicContact CG-CD2 4.05Å; W667-L721 HydrophobicContact CH2-CB 4.49Å; W667-L721 HydrophobicContact CH2-CD2 4.39Å; W667-L721 HydrophobicContact CZ2-CD2 4.23Å; W667-L721 HydrophobicContact CZ3-CB 4.1Å; W667-L721 HydrophobicContact CZ3-CD2 4.2Å; W667-L721 WeakPolarHBondContact CZ3-O 3.29Å; W667-L721 VanDerWaalsContact O-CD2 3.26Å; W667-L721 WeakPolarHBondContact O-CD2 3.39Å; V671-L721 HydrophobicContact CG2-CD2 3.82Å; P682-L721 HydrophobicContact CG-CD1 4.1Å; I700-L721 HydrophobicContact CD1-CB 3.58Å; I700-L721 HydrophobicContact CD1-CD1 3.76Å; I700-L721 HydrophobicContact CD1-CG 4.31Å; I700-L721 HydrophobicContact CG1-CD1 4.46Å; I717-L721 HydrophobicContact CG2-CD1 3.7Å; I717-L721 HydrophobicContact CG2-CG 4.28Å; I717-L721 VanDerWaalsContact O-CB 3.29Å; I717-L721 WeakPolarHBondContact O-CB 3.43Å; I717-L721 WeakPolarHBondContact O-CG 3.3Å; I717-L721 PolarHBondContact O-N 2.66Å; L721-V723 PolarHBondContact O-N 3.01Å
722	Q	94.2	Very high	92.1	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	21%	0.208	S	C	.	.			trans	-68.7	128.7	167.2	-70.1	-60.2	-36.7	0	0	110.7	R718 D727 R728	R718-Q722 PolarHBondContact O-NE2 3.04Å; Q722-D727 HydrophobicContact CB-CB 4.37Å; Q722-D727 HydrophobicContact CG-CB 4.38Å; Q722-R728 HydrophobicContact CB-CB 4.07Å; Q722-R728 HydrophobicContact CB-CG 4.39Å; Q722-R728 PolarHBondContact O-NE 3.26Å; Q722-R728 PolarHBondContact O-NH2 3.12Å
723	V	91.5	Very high	91.1	Very high	67 Å²	67	40.6 Å²	40.6	41%	0.406	22%	0.219	S	C	.	.	S	Bend	trans	-68.3	-37.4	-177.9	179.3	0	0	0	0	111.2	P652 L721 P725	P652-V723 HydrophobicContact CB-CG1 4.15Å; P652-V723 HydrophobicContact CG-CB 4.47Å; P652-V723 HydrophobicContact CG-CG1 4.01Å; L721-V723 PolarHBondContact O-N 3.01Å; V723-P725 WeakPolarHBondContact O-CD 3.23Å
724	N	87.6	Confident	90.6	Very high	67 Å²	67	41.8 Å²	41.8	36%	0.358	23%	0.232	S	C	.	.	S	Bend	trans	-78	119	167.4	-179.7	13.4	0	0	0	109.3	L726 D727	N724-L726 PolarHBondContact O-N 2.71Å; N724-L726 PolarHBondContact OD1-N 2.87Å; N724-D727 HydrophobicContact CB-CB 4.48Å; N724-D727 WeakPolarHBondContact CB-OD2 3.39Å; N724-D727 PolarHBondContact ND2-OD2 2.71Å; N724-D727 PolarHBondContact O-N 2.85Å
725	P	86.4	Confident	90.2	Very high	20 Å²	20	41.8 Å²	41.8	13%	0.13	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.2	-20	178.9	25.7	-34	0	0	0	113.4	M635 E653 P663 V723 R728 T731	M635-P725 HydrophobicContact CE-CB 3.71Å; M635-P725 HydrophobicContact CE-CG 3.75Å; E653-P725 HydrophobicContact CB-CG 4.4Å; E653-P725 HydrophobicContact CG-CG 4.43Å; P663-P725 HydrophobicContact CB-CB 4.03Å; V723-P725 WeakPolarHBondContact O-CD 3.23Å; P725-R728 WeakPolarHBondContact O-CB 3.11Å; P725-R728 PolarHBondContact O-N 3.42Å; P725-T731 VanDerWaalsContact O-CB 3.3Å; P725-T731 WeakPolarHBondContact O-CB 3.46Å; P725-T731 WeakPolarHBondContact O-CG2 3.35Å; P725-T731 PolarHBondContact O-OG1 3.36Å
726	L	84.3	Confident	89.9	Confident	68 Å²	68	42.4 Å²	42.4	36%	0.356	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-68.3	-37.1	174.7	-78.9	169.4	0	0	0	113	V630 M635 N724 R728	V630-L726 HydrophobicContact CB-CD2 3.76Å; V630-L726 HydrophobicContact CG1-CD2 3.72Å; V630-L726 HydrophobicContact CG2-CD2 4.1Å; M635-L726 HydrophobicContact CE-CD2 3.9Å; M635-L726 HydrophobicContact CE-CG 3.88Å; M635-L726 HydrophobicContact SD-CD1 4.38Å; M635-L726 HydrophobicContact SD-CD2 3.38Å; M635-L726 WeakPolarHBondContact SD-CD2 3.35Å; M635-L726 HydrophobicContact SD-CG 3.58Å; M635-L726 VanDerWaalsContact SD-CG 3.58Å; N724-L726 PolarHBondContact O-N 2.71Å; N724-L726 PolarHBondContact OD1-N 2.87Å; L726-R728 PolarHBondContact O-N 3.47Å
727	D	89.2	Confident	89.7	Confident	108 Å²	108	44.6 Å²	44.6	58%	0.578	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-84.2	-2.3	-179.1	-56.2	-45.6	0	0	0	112	Q722 N724	Q722-D727 HydrophobicContact CB-CB 4.37Å; Q722-D727 HydrophobicContact CG-CB 4.38Å; N724-D727 HydrophobicContact CB-CB 4.48Å; N724-D727 WeakPolarHBondContact CB-OD2 3.39Å; N724-D727 PolarHBondContact ND2-OD2 2.71Å; N724-D727 PolarHBondContact O-N 2.85Å
728	R	94.1	Very high	89.6	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.011	24%	0.244	C	C	.	.	S	Bend	trans	-82	131.7	-173.7	-164.3	-179.3	-62.5	151.6	6.3	111.6	E653 P663 L720 Q722 P725 L726 G730 T731	E653-R728 IonicContact OE1-CZ 3.61Å; E653-R728 IonicContact OE1-NH1 3.46Å; E653-R728 PolarHBondContact OE1-NH1 3.3Å; E653-R728 IonicContact OE1-NH2 2.82Å; E653-R728 IonicContact OE2-CZ 2.67Å; E653-R728 IonicContact OE2-NH1 3.81Å; E653-R728 PolarHBondContact OE2-NH1 3.03Å; E653-R728 IonicContact OE2-NH2 3.69Å; E653-R728 PolarHBondContact OE2-NH2 3.35Å; P663-R728 PolarHBondContact O-NH1 3.14Å; L720-R728 WeakPolarHBondContact O-CD 3.21Å; L720-R728 WeakPolarHBondContact O-CG 3.27Å; Q722-R728 HydrophobicContact CB-CB 4.07Å; Q722-R728 HydrophobicContact CB-CG 4.39Å; Q722-R728 PolarHBondContact O-NE 3.26Å; Q722-R728 PolarHBondContact O-NH2 3.12Å; P725-R728 WeakPolarHBondContact O-CB 3.11Å; P725-R728 PolarHBondContact O-N 3.42Å; L726-R728 PolarHBondContact O-N 3.47Å; R728-G730 PolarHBondContact O-N 2.86Å; R728-T731 WeakPolarHBondContact O-CB 3.05Å; R728-T731 PolarHBondContact O-N 3.23Å; R728-T731 VanDerWaalsContact O-N 3.15Å; R728-T731 PolarHBondContact O-OG1 3.47Å
729	L	92.8	Very high	89.5	Confident	31 Å²	31	40 Å²	40	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.4	177.3	-167.6	74.6	0	0	0	110.8	L716 S719 L720 E737 V738 H741	L716-L729 HydrophobicContact CD1-CD2 3.6Å; S719-L729 PolarHBondContact O-N 3.42Å; L720-L729 HydrophobicContact CD2-CB 4.28Å; L729-E737 HydrophobicContact CD1-CB 3.79Å; L729-E737 HydrophobicContact CD1-CG 4.29Å; L729-E737 HydrophobicContact CG-CB 4.13Å; L729-V738 HydrophobicContact CD2-CG2 4.34Å; L729-V738 HydrophobicContact CG-CG2 4.22Å; L729-H741 HydrophobicContact CD2-CB 4.33Å
730	G	88.9	Confident	89.4	Confident	3 Å²	3	46 Å²	46	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-1.6	-177.2	0	0	0	0	0	114.6	W666 R728 G734 E737	W666-G730 PolarHBondContact NE1-O 2.9Å; R728-G730 PolarHBondContact O-N 2.86Å; G730-G734 WeakPolarHBondContact CA-O 3.46Å; G730-G734 VanDerWaalsContact O-CA 3.27Å; G730-G734 WeakPolarHBondContact O-CA 3.48Å; G730-E737 WeakPolarHBondContact CA-OE2 3.43Å; G730-E737 PolarHBondContact N-OE2 2.71Å
731	T	84.7	Confident	89.3	Confident	25 Å²	25	47 Å²	47	15%	0.153	26%	0.259	C	S	.	.	S	Bend	trans	-79.8	-45.4	176.8	-68.3	0	0	0	0	112.9	M635 P663 P725 R728	M635-T731 HydrophobicContact CE-CG2 4.01Å; P663-T731 WeakPolarHBondContact CB-OG1 3.42Å; P663-T731 HydrophobicContact CG-CG2 3.94Å; P663-T731 WeakPolarHBondContact CG-OG1 3.47Å; P725-T731 VanDerWaalsContact O-CB 3.3Å; P725-T731 WeakPolarHBondContact O-CB 3.46Å; P725-T731 WeakPolarHBondContact O-CG2 3.35Å; P725-T731 PolarHBondContact O-OG1 3.36Å; R728-T731 WeakPolarHBondContact O-CB 3.05Å; R728-T731 PolarHBondContact O-N 3.23Å; R728-T731 VanDerWaalsContact O-N 3.15Å; R728-T731 PolarHBondContact O-OG1 3.47Å
732	V	75.4	Confident	89.3	Confident	67 Å²	67	49.7 Å²	49.7	41%	0.406	28%	0.278	S	S	.	.	S	Bend	trans	-82.2	-59.1	-170.9	178.6	0	0	0	0	110.5	V624 V630 E737	V624-V732 VanDerWaalsContact CG1-O 3.23Å; V624-V732 WeakPolarHBondContact CG1-O 3.44Å; V630-V732 HydrophobicContact CG2-CG2 4.19Å; V732-E737 WeakPolarHBondContact CB-OE1 3.45Å
733	S	75.2	Confident	89.4	Confident	62 Å²	62	46.1 Å²	46.1	43%	0.434	26%	0.262	S	S	.	.	S	Bend	trans	-95.1	11.1	-177.3	-41	0	0	0	0	113.7	E737	S733-E737 WeakPolarHBondContact CA-OE1 3.37Å; S733-E737 WeakPolarHBondContact CB-OE1 3.15Å; S733-E737 PolarHBondContact N-OE1 2.88Å; S733-E737 PolarHBondContact OG-OE1 2.94Å
734	G	84.5	Confident	89.6	Confident	26 Å²	26	43.1 Å²	43.1	27%	0.268	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-152.4	-173.8	0	0	0	0	0	113.1	G730 M736 E737	G730-G734 WeakPolarHBondContact CA-O 3.46Å; G730-G734 VanDerWaalsContact O-CA 3.27Å; G730-G734 WeakPolarHBondContact O-CA 3.48Å; G734-M736 PolarHBondContact O-N 3.49Å; G734-E737 PolarHBondContact O-N 3.29Å
735	A	89.8	Confident	89.8	Confident	9 Å²	9	44.4 Å²	44.4	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-55.6	-21.7	-175.2	0	0	0	0	0	115.1	E581 W666 E737 V738 K739	E581-A735 HydrophobicContact CB-CB 3.69Å; E581-A735 HydrophobicContact CG-CB 3.82Å; W666-A735 HydrophobicContact CH2-CB 3.66Å; W666-A735 HydrophobicContact CZ2-CB 3.76Å; A735-E737 VanDerWaalsContact C-N 3.3Å; A735-E737 PolarHBondContact O-N 2.82Å; A735-V738 PolarHBondContact O-N 3.14Å; A735-K739 VanDerWaalsContact O-CG 3.3Å; A735-K739 WeakPolarHBondContact O-CG 3.43Å; A735-K739 PolarHBondContact O-N 2.99Å
736	M	90	Very high	90	Very high	97 Å²	97	47.2 Å²	47.2	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-36.5	179	-74	-61.9	-60.7	0	0	113.2	G734 K739 M740	G734-M736 PolarHBondContact O-N 3.49Å; M736-K739 PolarHBondContact O-N 3.24Å; M736-K739 HydrophobicContact SD-CD 4.29Å; M736-M740 HydrophobicContact CE-SD 4.46Å; M736-M740 WeakPolarHBondContact O-CB 3.46Å; M736-M740 VanDerWaalsContact O-CG 3.31Å; M736-M740 WeakPolarHBondContact O-CG 3.49Å; M736-M740 PolarHBondContact O-N 3.38Å
737	E	91.8	Very high	90.3	Very high	45 Å²	45	44.5 Å²	44.5	21%	0.21	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-46.4	174.5	-94.1	159.8	-148.2	0	0	112	L729 G730 V732 S733 G734 A735 K739 M740 H741	L729-E737 HydrophobicContact CD1-CB 3.79Å; L729-E737 HydrophobicContact CD1-CG 4.29Å; L729-E737 HydrophobicContact CG-CB 4.13Å; G730-E737 WeakPolarHBondContact CA-OE2 3.43Å; G730-E737 PolarHBondContact N-OE2 2.71Å; V732-E737 WeakPolarHBondContact CB-OE1 3.45Å; S733-E737 WeakPolarHBondContact CA-OE1 3.37Å; S733-E737 WeakPolarHBondContact CB-OE1 3.15Å; S733-E737 PolarHBondContact N-OE1 2.88Å; S733-E737 PolarHBondContact OG-OE1 2.94Å; G734-E737 PolarHBondContact O-N 3.29Å; A735-E737 VanDerWaalsContact C-N 3.3Å; A735-E737 PolarHBondContact O-N 2.82Å; E737-K739 VanDerWaalsContact C-N 3.34Å; E737-M740 PolarHBondContact O-N 3.22Å; E737-H741 PolarHBondContact O-N 2.95Å
738	V	95.1	Very high	90.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-42.3	178.2	-172.4	0	0	0	0	110.2	V577 W666 L716 L720 L729 A735 M740 H741 F744	V577-V738 HydrophobicContact CG1-CG1 4.48Å; V577-V738 HydrophobicContact CG2-CG1 3.8Å; W666-V738 HydrophobicContact CD2-CG2 4.18Å; W666-V738 HydrophobicContact CE3-CG2 4.03Å; W666-V738 HydrophobicContact CZ3-CG2 4.21Å; L716-V738 HydrophobicContact CD1-CG1 4.48Å; L720-V738 HydrophobicContact CD2-CG2 4.13Å; L729-V738 HydrophobicContact CD2-CG2 4.34Å; L729-V738 HydrophobicContact CG-CG2 4.22Å; A735-V738 PolarHBondContact O-N 3.14Å; V738-M740 VanDerWaalsContact C-N 3.35Å; V738-M740 PolarHBondContact O-N 2.81Å; V738-H741 VanDerWaalsContact O-CB 3.28Å; V738-H741 WeakPolarHBondContact O-CB 3.42Å; V738-H741 PolarHBondContact O-N 3.02Å; V738-F744 HydrophobicContact CG1-CE2 3.99Å; V738-F744 WeakPolarHBondContact O-CD2 3.27Å; V738-F744 VanDerWaalsContact O-CE2 3.32Å; V738-F744 WeakPolarHBondContact O-CE2 3.48Å
739	K	94.8	Very high	90.2	Very high	28 Å²	28	45 Å²	45	12%	0.122	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-31	179.1	-72.4	177.4	171.6	-179.9	0	114.7	V577 E581 A735 M736 E737 H741 W749	V577-K739 HydrophobicContact CG1-CG 4.01Å; E581-K739 WeakPolarHBondContact OE1-CE 3.48Å; E581-K739 IonicContact OE1-NZ 3.89Å; E581-K739 PolarHBondContact OE1-NZ 3.2Å; E581-K739 IonicContact OE2-NZ 3.5Å; E581-K739 PolarHBondContact OE2-NZ 3.3Å; A735-K739 VanDerWaalsContact O-CG 3.3Å; A735-K739 WeakPolarHBondContact O-CG 3.43Å; A735-K739 PolarHBondContact O-N 2.99Å; M736-K739 PolarHBondContact O-N 3.24Å; M736-K739 HydrophobicContact SD-CD 4.29Å; E737-K739 VanDerWaalsContact C-N 3.34Å; K739-H741 VanDerWaalsContact C-N 3.3Å; K739-W749 HydrophobicContact CB-CD2 4.42Å; K739-W749 HydrophobicContact CB-CH2 4.4Å; K739-W749 HydrophobicContact CB-CZ2 3.81Å; K739-W749 HydrophobicContact CD-CD2 4.13Å; K739-W749 HydrophobicContact CD-CE3 4.25Å; K739-W749 HydrophobicContact CG-CD2 3.93Å; K739-W749 HydrophobicContact CG-CE3 4.04Å; K739-W749 HydrophobicContact CG-CH2 3.76Å; K739-W749 HydrophobicContact CG-CZ2 3.64Å; K739-W749 HydrophobicContact CG-CZ3 3.94Å
740	M	93.1	Very high	89.9	Confident	155 Å²	155	48.3 Å²	48.3	76%	0.764	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.5	179	-71.1	-178.8	67.2	0	0	113.3	M736 E737 V738	M736-M740 HydrophobicContact CE-SD 4.46Å; M736-M740 WeakPolarHBondContact O-CB 3.46Å; M736-M740 VanDerWaalsContact O-CG 3.31Å; M736-M740 WeakPolarHBondContact O-CG 3.49Å; M736-M740 PolarHBondContact O-N 3.38Å; E737-M740 PolarHBondContact O-N 3.22Å; V738-M740 VanDerWaalsContact C-N 3.35Å; V738-M740 PolarHBondContact O-N 2.81Å
741	H	96	Very high	89.8	Confident	22 Å²	22	50.3 Å²	50.3	10%	0.102	30%	0.298	C	S	.	.	S	Bend	trans	-66.2	143.6	179.5	-163.8	-86.9	0	0	0	112.4	D712 D715 L716 L729 E737 V738 K739 F743 F744	D712-H741 PolarHBondContact O-CE1 2.96Å; D715-H741 IonicContact OD2-NE2 2.71Å; L716-H741 HydrophobicContact CD1-CB 4.11Å; L716-H741 PolarHBondContact N-CE1 3.34Å; L716-H741 VanDerWaalsContact N-CE1 3.3Å; L729-H741 HydrophobicContact CD2-CB 4.33Å; E737-H741 PolarHBondContact O-N 2.95Å; V738-H741 VanDerWaalsContact O-CB 3.28Å; V738-H741 WeakPolarHBondContact O-CB 3.42Å; V738-H741 PolarHBondContact O-N 3.02Å; K739-H741 VanDerWaalsContact C-N 3.3Å; H741-F743 PolarHBondContact ND1-N 3.49Å; H741-F743 PolarHBondContact O-N 3.41Å; H741-F743 VanDerWaalsContact O-N 3.1Å; H741-F744 HydrophobicContact CB-CD2 4.2Å; H741-F744 PolarHBondContact O-N 2.88Å
742	S	95.8	Very high	89.9	Confident	64 Å²	64	49.3 Å²	49.3	45%	0.448	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-50.8	-38.8	-176.2	56.6	0	0	0	0	113.9	F744 A745	S742-F744 PolarHBondContact O-N 3.09Å; S742-F744 VanDerWaalsContact O-N 3.13Å; S742-A745 WeakPolarHBondContact O-CB 3.06Å; S742-A745 PolarHBondContact O-N 3.23Å
743	F	96.4	Very high	90.2	Very high	1 Å²	1	50 Å²	50	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.4	-26.8	175.7	-178.2	-108.6	0	0	0	114.4	V566 R570 L673 D712 A713 L716 H741	V566-F743 HydrophobicContact CG1-CE2 4.28Å; R570-F743 HydrophobicContact CB-CE1 3.82Å; R570-F743 HydrophobicContact CB-CE2 4.38Å; R570-F743 HydrophobicContact CB-CZ 3.62Å; R570-F743 VanDerWaalsContact CD-O 3.25Å; R570-F743 WeakPolarHBondContact CD-O 3.39Å; R570-F743 HydrophobicContact CG-CD1 4.24Å; R570-F743 HydrophobicContact CG-CE1 3.8Å; R570-F743 HydrophobicContact CG-CZ 4Å; R570-F743 PolarHBondContact NE-O 2.84Å; L673-F743 HydrophobicContact CD1-CE1 4.08Å; L673-F743 HydrophobicContact CD1-CZ 3.98Å; D712-F743 HydrophobicContact CB-CB 4.2Å; D712-F743 WeakPolarHBondContact OD2-CA 3.18Å; D712-F743 WeakPolarHBondContact OD2-CD2 3.41Å; A713-F743 HydrophobicContact CB-CD2 3.71Å; A713-F743 HydrophobicContact CB-CE2 3.6Å; A713-F743 HydrophobicContact CB-CZ 4.43Å; L716-F743 HydrophobicContact CB-CB 4.35Å; L716-F743 HydrophobicContact CD2-CB 3.95Å; L716-F743 HydrophobicContact CD2-CD1 3.38Å; L716-F743 HydrophobicContact CD2-CE1 4.11Å; L716-F743 HydrophobicContact CD2-CG 3.9Å; H741-F743 PolarHBondContact ND1-N 3.49Å; H741-F743 PolarHBondContact O-N 3.41Å; H741-F743 VanDerWaalsContact O-N 3.1Å
744	F	96	Very high	90.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.018	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-102	12	178.1	-55.8	-74.3	0	0	0	113.7	R570 I573 A574 L716 V738 H741 S742 S746 V747 W749	R570-F744 HydrophobicContact CG-CD1 4.05Å; R570-F744 HydrophobicContact CG-CE1 4.38Å; I573-F744 HydrophobicContact CG2-CE1 4.25Å; I573-F744 HydrophobicContact CG2-CZ 3.87Å; A574-F744 HydrophobicContact CB-CD1 4.1Å; A574-F744 HydrophobicContact CB-CE1 4.01Å; L716-F744 HydrophobicContact CD1-CE2 4.39Å; L716-F744 HydrophobicContact CD2-CD2 4.41Å; L716-F744 HydrophobicContact CD2-CE2 3.47Å; L716-F744 VanDerWaalsContact CD2-CE2 3.47Å; L716-F744 HydrophobicContact CD2-CZ 3.66Å; V738-F744 HydrophobicContact CG1-CE2 3.99Å; V738-F744 WeakPolarHBondContact O-CD2 3.27Å; V738-F744 VanDerWaalsContact O-CE2 3.32Å; V738-F744 WeakPolarHBondContact O-CE2 3.48Å; H741-F744 HydrophobicContact CB-CD2 4.2Å; H741-F744 PolarHBondContact O-N 2.88Å; S742-F744 PolarHBondContact O-N 3.09Å; S742-F744 VanDerWaalsContact O-N 3.13Å; F744-S746 PolarHBondContact O-N 3.02Å; F744-V747 HydrophobicContact CB-CB 4.32Å; F744-V747 HydrophobicContact CB-CG2 4.35Å; F744-V747 HydrophobicContact CD1-CG2 4.33Å; F744-V747 WeakPolarHBondContact O-CB 3.43Å; F744-V747 PolarHBondContact O-N 3.31Å; F744-W749 HydrophobicContact CB-CZ2 3.67Å; F744-W749 HydrophobicContact CD1-CH2 4.03Å; F744-W749 AromaticContact CD1-CZ2 3.98Å; F744-W749 HydrophobicContact CD1-CZ2 3.98Å; F744-W749 HydrophobicContact CD2-CH2 4.5Å; F744-W749 HydrophobicContact CD2-CZ2 4.16Å; F744-W749 HydrophobicContact CE1-CH2 4.33Å; F744-W749 HydrophobicContact CG-CH2 4.12Å; F744-W749 AromaticContact CG-CZ2 3.68Å; F744-W749 HydrophobicContact CG-CZ2 3.68Å
745	A	92.2	Very high	90.3	Very high	95 Å²	95	58.9 Å²	58.9	79%	0.785	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.9	-177.6	0	0	0	0	0	114.6	S742	S742-A745 WeakPolarHBondContact O-CB 3.06Å; S742-A745 PolarHBondContact O-N 3.23Å
746	S	89.7	Confident	89.7	Confident	79 Å²	79	66.7 Å²	66.7	55%	0.552	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.9	172.7	55.5	0	0	0	0	114.6	R570 F744	R570-S746 WeakPolarHBondContact CD-OG 3.41Å; F744-S746 PolarHBondContact O-N 3.02Å
747	V	90.7	Very high	89.3	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.067	32%	0.324	C	S	.	.			trans	-104.3	111.1	-166	-179.8	0	0	0	0	111.8	R570 A574 F744 W749 L752	R570-V747 HydrophobicContact CG-CG2 3.92Å; A574-V747 HydrophobicContact CB-CG1 4.09Å; F744-V747 HydrophobicContact CB-CB 4.32Å; F744-V747 HydrophobicContact CB-CG2 4.35Å; F744-V747 HydrophobicContact CD1-CG2 4.33Å; F744-V747 WeakPolarHBondContact O-CB 3.43Å; F744-V747 PolarHBondContact O-N 3.31Å; V747-W749 HydrophobicContact CG1-CD2 4.39Å; V747-W749 HydrophobicContact CG1-CZ2 4.48Å; V747-W749 PolarHBondContact O-N 2.79Å; V747-L752 HydrophobicContact CG1-CD1 3.58Å; V747-L752 HydrophobicContact CG1-CG 4.35Å
748	D	90.7	Very high	88.8	Confident	69 Å²	69	65.6 Å²	65.6	37%	0.369	34%	0.339	S	S	.	.			trans	-81.9	98.4	167.1	170.3	23.3	0	0	0	111.3	N750 T751 L752	D748-N750 PolarHBondContact O-N 2.91Å; D748-N750 WeakPolarHBondContact OD1-CB 3.47Å; D748-N750 PolarHBondContact OD1-N 2.9Å; D748-N750 PolarHBondContact OD1-ND2 3.16Å; D748-T751 WeakPolarHBondContact CB-OG1 3.13Å; D748-T751 VanDerWaalsContact CG-OG1 3.27Å; D748-T751 PolarHBondContact O-N 2.91Å; D748-T751 WeakPolarHBondContact OD2-CB 3.37Å; D748-T751 WeakPolarHBondContact OD2-CG2 3.18Å; D748-T751 PolarHBondContact OD2-OG1 3.04Å; D748-L752 WeakPolarHBondContact O-CD1 3.04Å; D748-L752 PolarHBondContact O-N 3.02Å
749	W	91.6	Very high	88.4	Confident	51 Å²	51	67.6 Å²	67.6	19%	0.193	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-12.2	175.4	-59.3	96.8	0	0	0	116	A574 V577 L578 K739 F744 V747	A574-W749 HydrophobicContact CB-CH2 3.74Å; A574-W749 HydrophobicContact CB-CZ3 3.75Å; A574-W749 WeakPolarHBondContact O-CZ3 3.41Å; V577-W749 HydrophobicContact CB-CH2 4.3Å; V577-W749 HydrophobicContact CB-CZ3 4.18Å; V577-W749 HydrophobicContact CG1-CH2 4.07Å; V577-W749 HydrophobicContact CG1-CZ3 3.98Å; L578-W749 HydrophobicContact CD1-CE3 4.23Å; L578-W749 HydrophobicContact CD2-CE3 3.88Å; L578-W749 HydrophobicContact CD2-CZ3 4.35Å; L578-W749 HydrophobicContact CG-CE3 3.95Å; L578-W749 HydrophobicContact CG-CZ3 4.16Å; K739-W749 HydrophobicContact CB-CD2 4.42Å; K739-W749 HydrophobicContact CB-CH2 4.4Å; K739-W749 HydrophobicContact CB-CZ2 3.81Å; K739-W749 HydrophobicContact CD-CD2 4.13Å; K739-W749 HydrophobicContact CD-CE3 4.25Å; K739-W749 HydrophobicContact CG-CD2 3.93Å; K739-W749 HydrophobicContact CG-CE3 4.04Å; K739-W749 HydrophobicContact CG-CH2 3.76Å; K739-W749 HydrophobicContact CG-CZ2 3.64Å; K739-W749 HydrophobicContact CG-CZ3 3.94Å; F744-W749 HydrophobicContact CB-CZ2 3.67Å; F744-W749 HydrophobicContact CD1-CH2 4.03Å; F744-W749 AromaticContact CD1-CZ2 3.98Å; F744-W749 HydrophobicContact CD1-CZ2 3.98Å; F744-W749 HydrophobicContact CD2-CH2 4.5Å; F744-W749 HydrophobicContact CD2-CZ2 4.16Å; F744-W749 HydrophobicContact CE1-CH2 4.33Å; F744-W749 HydrophobicContact CG-CH2 4.12Å; F744-W749 AromaticContact CG-CZ2 3.68Å; F744-W749 HydrophobicContact CG-CZ2 3.68Å; V747-W749 HydrophobicContact CG1-CD2 4.39Å; V747-W749 HydrophobicContact CG1-CZ2 4.48Å; V747-W749 PolarHBondContact O-N 2.79Å
750	N	86.3	Confident	88.1	Confident	102 Å²	102	69.4 Å²	69.4	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.2	174.5	-61.1	-76.4	0	0	0	114.3	D748 K904	D748-N750 PolarHBondContact O-N 2.91Å; D748-N750 WeakPolarHBondContact OD1-CB 3.47Å; D748-N750 PolarHBondContact OD1-N 2.9Å; D748-N750 PolarHBondContact OD1-ND2 3.16Å; N750-K904 PolarHBondContact OD1-NZ 2.7Å
751	T	86.6	Confident	87.8	Confident	45 Å²	45	62.4 Å²	62.4	28%	0.276	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	6.2	-173.4	60.2	0	0	0	0	115.9	D748 L753 R754 Q755	D748-T751 WeakPolarHBondContact CB-OG1 3.13Å; D748-T751 VanDerWaalsContact CG-OG1 3.27Å; D748-T751 PolarHBondContact O-N 2.91Å; D748-T751 WeakPolarHBondContact OD2-CB 3.37Å; D748-T751 WeakPolarHBondContact OD2-CG2 3.18Å; D748-T751 PolarHBondContact OD2-OG1 3.04Å; T751-L753 VanDerWaalsContact C-N 3.3Å; T751-L753 PolarHBondContact O-N 2.74Å; T751-R754 CarbonylContact O-C 2.95Å; T751-R754 WeakPolarHBondContact O-CA 3.24Å; T751-R754 WeakPolarHBondContact O-CB 3.3Å; T751-R754 PolarHBondContact O-N 2.95Å; T751-Q755 PolarHBondContact O-N 3.21Å
752	L	86.4	Confident	87.4	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-43.5	-51.4	174.5	-85.1	62.4	0	0	0	113	F528 A574 E575 L578 H605 V747 D748 R754 Q755	F528-L752 HydrophobicContact CZ-CB 4.38Å; A574-L752 HydrophobicContact CB-CD2 3.94Å; E575-L752 HydrophobicContact CG-CD2 3.88Å; L578-L752 HydrophobicContact CD1-CD2 3.87Å; H605-L752 PolarHBondContact CE1-O 2.76Å; H605-L752 VanDerWaalsContact CE1-O 3.28Å; V747-L752 HydrophobicContact CG1-CD1 3.58Å; V747-L752 HydrophobicContact CG1-CG 4.35Å; D748-L752 WeakPolarHBondContact O-CD1 3.04Å; D748-L752 PolarHBondContact O-N 3.02Å; L752-R754 PolarHBondContact O-N 2.95Å; L752-Q755 WeakPolarHBondContact O-CB 3.47Å; L752-Q755 PolarHBondContact O-N 3.37Å
753	L	82.1	Confident	87	Confident	82 Å²	82	68 Å²	68	43%	0.429	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-68.6	3.3	178.6	-62.8	167.2	0	0	0	115.1	P527 F528 T751	P527-L753 HydrophobicContact CB-CD1 3.58Å; P527-L753 HydrophobicContact CB-CD2 4.24Å; P527-L753 HydrophobicContact CG-CD1 3.49Å; P527-L753 VanDerWaalsContact CG-CD1 3.49Å; F528-L753 HydrophobicContact CD1-CD2 4.37Å; F528-L753 HydrophobicContact CE1-CD2 3.54Å; F528-L753 HydrophobicContact CE1-CG 3.97Å; F528-L753 HydrophobicContact CE2-CD1 4.33Å; F528-L753 HydrophobicContact CE2-CG 4.5Å; F528-L753 HydrophobicContact CZ-CD1 3.95Å; F528-L753 HydrophobicContact CZ-CD2 3.76Å; F528-L753 HydrophobicContact CZ-CG 3.65Å; T751-L753 VanDerWaalsContact C-N 3.3Å; T751-L753 PolarHBondContact O-N 2.74Å
754	R	82.4	Confident	86.4	Confident	215 Å²	215	79.1 Å²	79.1	81%	0.811	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-117.5	-13.3	172	-56.8	178.1	176.2	-85.9	0.9	111.9	T751 L752	T751-R754 CarbonylContact O-C 2.95Å; T751-R754 WeakPolarHBondContact O-CA 3.24Å; T751-R754 WeakPolarHBondContact O-CB 3.3Å; T751-R754 PolarHBondContact O-N 2.95Å; L752-R754 PolarHBondContact O-N 2.95Å
755	Q	78.6	Confident	85.8	Confident	59 Å²	59	80.7 Å²	80.7	28%	0.276	40%	0.403	S	S	.	.	S	Bend	trans	-74.9	140.8	173.2	-66.8	175	-2.5	0	0	108.6	H605 T751 L752 A757	H605-Q755 PolarHBondContact CE1-O 3.36Å; T751-Q755 PolarHBondContact O-N 3.21Å; L752-Q755 WeakPolarHBondContact O-CB 3.47Å; L752-Q755 PolarHBondContact O-N 3.37Å; Q755-A757 PolarHBondContact O-N 2.95Å
756	K	78.2	Confident	85.1	Confident	173 Å²	173	82 Å²	82	75%	0.752	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-77.5	119.3	178.1	-175.5	-167.3	171.8	-170.3	0	108.9	I760	K756-I760 HydrophobicContact CG-CD1 4.5Å
757	A	81.9	Confident	84.7	Confident	8 Å²	8	81.4 Å²	81.4	7%	0.066	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-58.2	142	173.1	0	0	0	0	0	111.9	Q755	Q755-A757 PolarHBondContact O-N 2.95Å
758	E	80.7	Confident	84.4	Confident	110 Å²	110	82 Å²	82	51%	0.514	39%	0.385	S	S	.	.	S	Bend	trans	-67.9	-38.7	177.5	-60.8	-152.4	119.6	0	0	111.9	M568	M568-E758 HydrophobicContact CB-CB 4.37Å; M568-E758 VanDerWaalsContact CB-OE2 3.31Å; M568-E758 WeakPolarHBondContact CB-OE2 3.38Å; M568-E758 PolarHBondContact N-OE2 3.2Å
759	F	86.1	Confident	84	Confident	42 Å²	42	79 Å²	79	18%	0.184	37%	0.369	C	S	.	.			trans	-104.7	126.2	173.8	174.7	-100	0	0	0	110.1	L557 M568 I600 G604 P761 Y771	L557-F759 HydrophobicContact CD1-CD2 4.21Å; L557-F759 HydrophobicContact CD1-CE1 4.23Å; L557-F759 HydrophobicContact CD1-CE2 3.89Å; L557-F759 HydrophobicContact CD1-CZ 3.91Å; M568-F759 HydrophobicContact CE-CB 3.3Å; M568-F759 HydrophobicContact CE-CD1 4.22Å; M568-F759 HydrophobicContact CE-CG 3.91Å; M568-F759 HydrophobicContact SD-CB 3.96Å; I600-F759 HydrophobicContact CD1-CD1 4.25Å; I600-F759 HydrophobicContact CD1-CE1 4.08Å; I600-F759 HydrophobicContact CG2-CD1 4.16Å; I600-F759 HydrophobicContact CG2-CE1 4.17Å; G604-F759 VanDerWaalsContact CA-O 3.24Å; G604-F759 WeakPolarHBondContact CA-O 3.41Å; F759-P761 HydrophobicContact CE1-CB 4.24Å; F759-P761 HydrophobicContact CZ-CB 4.37Å; F759-Y771 HydrophobicContact CZ-CD1 4.44Å; F759-Y771 AromaticContact CZ-CE1 3.78Å; F759-Y771 HydrophobicContact CZ-CE1 3.78Å
760	I	88	Confident	83.6	Confident	67 Å²	67	80.1 Å²	80.1	34%	0.344	38%	0.384	S	S	.	.			trans	-123.5	123.8	171.7	-61.9	175.9	0	0	0	106.5	K756 H762	K756-I760 HydrophobicContact CG-CD1 4.5Å; I760-H762 PolarHBondContact O-CE1 3.42Å; I760-H762 PolarHBondContact O-N 3.02Å; I760-H762 PolarHBondContact O-ND1 3.46Å
761	P	87.3	Confident	83.5	Confident	7 Å²	7	77.9 Å²	77.9	5%	0.045	37%	0.368	C	S	.	.			trans	-65.8	134.1	-178.5	27.6	-34.8	0	0	0	110.9	T601 F759 L763 Y771	T601-P761 WeakPolarHBondContact O-CG 3.34Å; F759-P761 HydrophobicContact CE1-CB 4.24Å; F759-P761 HydrophobicContact CZ-CB 4.37Å; P761-L763 VanDerWaalsContact C-N 3.32Å; P761-L763 HydrophobicContact CB-CD2 4.13Å; P761-L763 HydrophobicContact CB-CG 4.32Å; P761-L763 HydrophobicContact CG-CD2 4.5Å; P761-L763 HydrophobicContact CG-CG 4.4Å; P761-L763 PolarHBondContact O-N 3.27Å; P761-Y771 HydrophobicContact CB-CD2 4Å; P761-Y771 HydrophobicContact CB-CE1 4.46Å; P761-Y771 HydrophobicContact CB-CE2 3.56Å
762	H	87.5	Confident	83.3	Confident	158 Å²	158	76.9 Å²	76.9	73%	0.731	36%	0.36	S	S	*	.			trans	-88.3	71.2	-176.6	-72.2	51.5	0	0	0	110.2	I760 Y771	I760-H762 PolarHBondContact O-CE1 3.42Å; I760-H762 PolarHBondContact O-N 3.02Å; I760-H762 PolarHBondContact O-ND1 3.46Å; H762-Y771 PolarHBondContact N-OH 2.93Å
763	L	86.9	Confident	82.6	Confident	47 Å²	47	79.7 Å²	79.7	25%	0.246	38%	0.376	C	S	.	.			trans	-69.7	133	-176.8	-54.3	173.9	0	0	0	111.4	E550 A602 P761 G765 D768 Y771	E550-L763 HydrophobicContact CB-CD1 3.6Å; E550-L763 HydrophobicContact CB-CD2 3.9Å; E550-L763 HydrophobicContact CB-CG 4.42Å; E550-L763 HydrophobicContact CG-CD1 4.16Å; A602-L763 HydrophobicContact CB-CD1 3.7Å; P761-L763 VanDerWaalsContact C-N 3.32Å; P761-L763 HydrophobicContact CB-CD2 4.13Å; P761-L763 HydrophobicContact CB-CG 4.32Å; P761-L763 HydrophobicContact CG-CD2 4.5Å; P761-L763 HydrophobicContact CG-CG 4.4Å; P761-L763 PolarHBondContact O-N 3.27Å; L763-G765 PolarHBondContact O-N 3.49Å; L763-D768 HydrophobicContact CB-CB 4.36Å; L763-D768 HydrophobicContact CD2-CB 4.35Å; L763-Y771 HydrophobicContact CD2-CD2 4.02Å; L763-Y771 HydrophobicContact CD2-CE2 4.11Å
764	R	85.6	Confident	81.5	Confident	234 Å²	234	81.1 Å²	81.1	88%	0.883	39%	0.387	S	S	*	.	S	Bend	trans	-73.1	-9.8	172.2	-63.6	173.5	-179.2	-160.6	-0.6	113.6	D768	R764-D768 HydrophobicContact CB-CB 4.39Å; R764-D768 WeakPolarHBondContact CB-OD2 3.17Å; R764-D768 VanDerWaalsContact CG-OD2 3.32Å; R764-D768 WeakPolarHBondContact CG-OD2 3.46Å; R764-D768 PolarHBondContact N-OD2 2.96Å
765	G	82.3	Confident	80.3	Confident	37 Å²	37	76.1 Å²	76.1	38%	0.381	37%	0.369	S	S	.	.	S	Bend	trans	159.1	168.8	-177.4	0	0	0	0	0	109.7	L763 E767 D768	L763-G765 PolarHBondContact O-N 3.49Å; G765-E767 PolarHBondContact O-N 3.44Å; G765-D768 WeakPolarHBondContact O-CB 3.25Å; G765-D768 PolarHBondContact O-N 3.45Å
766	E	78.5	Confident	79.1	Confident	121 Å²	121	76.1 Å²	76.1	57%	0.565	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	6.8	-173.4	17.7	170.3	152.1	0	0	114.9	R494	R494-E766 WeakPolarHBondContact CD-O 3.47Å; R494-E766 VanDerWaalsContact CZ-CD 3.5Å; R494-E766 VanDerWaalsContact CZ-CG 3.46Å; R494-E766 IonicContact CZ-OE2 3.14Å; R494-E766 IonicContact NE-OE2 2.78Å; R494-E766 PolarHBondContact NE-OE2 3.23Å; R494-E766 PolarHBondContact NH1-O 2.84Å; R494-E766 IonicContact NH1-OE2 2.63Å; R494-E766 IonicContact NH2-OE1 3.51Å; R494-E766 IonicContact NH2-OE2 2.66Å; R494-E766 PolarHBondContact NH2-OE2 3.49Å
767	E	80.3	Confident	77.7	Confident	68 Å²	68	75 Å²	75	32%	0.318	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9.6	162.5	-48.8	-165.7	117.9	0	0	112.5	L485 R487 G765 T769	L485-E767 HydrophobicContact CD2-CB 4.21Å; R487-E767 IonicContact CZ-OE1 2.73Å; R487-E767 IonicContact CZ-OE2 2.71Å; R487-E767 IonicContact NE-OE1 2.67Å; R487-E767 PolarHBondContact NE-OE1 3.44Å; R487-E767 IonicContact NH2-OE1 2.63Å; R487-E767 PolarHBondContact NH2-OE1 2.98Å; R487-E767 IonicContact NH2-OE2 2.81Å; R487-E767 PolarHBondContact NH2-OE2 3.39Å; G765-E767 PolarHBondContact O-N 3.44Å; E767-T769 WeakPolarHBondContact O-CG2 3.43Å; E767-T769 PolarHBondContact O-N 3.33Å
768	D	84.2	Confident	76.5	Confident	23 Å²	23	82.4 Å²	82.4	12%	0.123	40%	0.404	C	S	.	.			trans	-66.9	126.9	178.1	-164.7	-6.6	0	0	0	109.6	Y548 L763 R764 G765 S770	Y548-D768 PolarHBondContact OH-O 2.97Å; L763-D768 HydrophobicContact CB-CB 4.36Å; L763-D768 HydrophobicContact CD2-CB 4.35Å; R764-D768 HydrophobicContact CB-CB 4.39Å; R764-D768 WeakPolarHBondContact CB-OD2 3.17Å; R764-D768 VanDerWaalsContact CG-OD2 3.32Å; R764-D768 WeakPolarHBondContact CG-OD2 3.46Å; R764-D768 PolarHBondContact N-OD2 2.96Å; G765-D768 WeakPolarHBondContact O-CB 3.25Å; G765-D768 PolarHBondContact O-N 3.45Å; D768-S770 VanDerWaalsContact CG-OG 3.23Å; D768-S770 WeakPolarHBondContact OD1-CB 3.46Å; D768-S770 PolarHBondContact OD1-N 3Å; D768-S770 PolarHBondContact OD1-OG 3.01Å; D768-S770 PolarHBondContact OD2-OG 3.05Å
769	T	83.2	Confident	75.4	Confident	7 Å²	7	82.1 Å²	82.1	4%	0.043	40%	0.399	C	S	.	.			trans	-119.3	18.5	177.4	93.7	0	0	0	0	110.6	K473 I475 L485 E767 Y771 F772	K473-T769 HydrophobicContact CD-CG2 3.89Å; K473-T769 WeakPolarHBondContact CE-OG1 3.48Å; K473-T769 PolarHBondContact NZ-OG1 3.39Å; I475-T769 HydrophobicContact CG2-CG2 3.84Å; L485-T769 HydrophobicContact CD2-CG2 3.97Å; E767-T769 WeakPolarHBondContact O-CG2 3.43Å; E767-T769 PolarHBondContact O-N 3.33Å; T769-Y771 PolarHBondContact O-N 3.44Å; T769-Y771 VanDerWaalsContact O-N 3.13Å; T769-F772 WeakPolarHBondContact O-CB 3.06Å; T769-F772 PolarHBondContact O-N 3.36Å
770	S	83.6	Confident	73.9	Confident	73 Å²	73	85.1 Å²	85.1	51%	0.51	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.9	-176.1	53.9	0	0	0	0	114.3	D768	D768-S770 VanDerWaalsContact CG-OG 3.23Å; D768-S770 WeakPolarHBondContact OD1-CB 3.46Å; D768-S770 PolarHBondContact OD1-N 3Å; D768-S770 PolarHBondContact OD1-OG 3.01Å; D768-S770 PolarHBondContact OD2-OG 3.05Å
771	Y	84.2	Confident	72.5	Confident	55 Å²	55	83.2 Å²	83.2	22%	0.216	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.9	173.7	-69.2	-79.7	0	0	0	114.7	G551 T556 F759 P761 H762 L763 T769	G551-Y771 VanDerWaalsContact O-CB 3.3Å; G551-Y771 WeakPolarHBondContact O-CB 3.31Å; T556-Y771 WeakPolarHBondContact CG2-O 3.38Å; F759-Y771 HydrophobicContact CZ-CD1 4.44Å; F759-Y771 AromaticContact CZ-CE1 3.78Å; F759-Y771 HydrophobicContact CZ-CE1 3.78Å; P761-Y771 HydrophobicContact CB-CD2 4Å; P761-Y771 HydrophobicContact CB-CE1 4.46Å; P761-Y771 HydrophobicContact CB-CE2 3.56Å; H762-Y771 PolarHBondContact N-OH 2.93Å; L763-Y771 HydrophobicContact CD2-CD2 4.02Å; L763-Y771 HydrophobicContact CD2-CE2 4.11Å; T769-Y771 PolarHBondContact O-N 3.44Å; T769-Y771 VanDerWaalsContact O-N 3.13Å
772	F	81.6	Confident	71	Confident	25 Å²	25	88.7 Å²	88.7	11%	0.11	44%	0.435	C	S	.	.	S	Bend	trans	-94.5	133.3	175	-69.6	-95.1	0	0	0	111.3	I475 Y548 V549 T769 T774	I475-F772 HydrophobicContact CB-CD1 4Å; I475-F772 HydrophobicContact CB-CE1 4.24Å; I475-F772 HydrophobicContact CB-CG 4.19Å; I475-F772 HydrophobicContact CD1-CE1 4.17Å; I475-F772 HydrophobicContact CD1-CZ 4.25Å; I475-F772 WeakPolarHBondContact O-CD1 3.46Å; Y548-F772 AromaticContact CE2-CE2 3.79Å; Y548-F772 HydrophobicContact CE2-CE2 3.79Å; Y548-F772 AromaticContact CE2-CZ 3.89Å; Y548-F772 HydrophobicContact CE2-CZ 3.89Å; Y548-F772 WeakPolarHBondContact OH-CE2 3.36Å; V549-F772 VanDerWaalsContact O-CZ 3.28Å; V549-F772 WeakPolarHBondContact O-CZ 3.42Å; T769-F772 WeakPolarHBondContact O-CB 3.06Å; T769-F772 PolarHBondContact O-N 3.36Å; F772-T774 PolarHBondContact O-N 3.09Å
773	D	71.4	Confident	68.9	Low	63 Å²	63	85 Å²	85	34%	0.337	42%	0.423	S	S	.	.			trans	-68.3	127.2	178.9	-164.1	-25.9	0	0	0	111.1	R775	D773-R775 VanDerWaalsContact CG-NE 3.29Å; D773-R775 PolarHBondContact O-N 3.16Å; D773-R775 WeakPolarHBondContact OD1-CG 3.47Å; D773-R775 IonicContact OD1-NE 2.63Å; D773-R775 IonicContact OD2-CZ 2.7Å; D773-R775 IonicContact OD2-NE 2.77Å; D773-R775 PolarHBondContact OD2-NE 2.77Å; D773-R775 IonicContact OD2-NH2 2.71Å; D773-R775 PolarHBondContact OD2-NH2 2.88Å
774	T	59.1	Low	66.9	Low	111 Å²	111	92.2 Å²	92.2	68%	0.681	46%	0.456	S	S	*	.			trans	-77.4	41.5	-172.8	63	0	0	0	0	113.3	F772 S776	F772-T774 PolarHBondContact O-N 3.09Å; T774-S776 PolarHBondContact O-N 2.92Å
775	R	57.4	Low	65.1	Low	111 Å²	111	85.4 Å²	85.4	42%	0.419	44%	0.444	S	S	.	.			trans	-78.7	48.7	-178.3	-73.8	170.3	-171.1	-178.8	15.9	113.2	D773 D777 R778	D773-R775 VanDerWaalsContact CG-NE 3.29Å; D773-R775 PolarHBondContact O-N 3.16Å; D773-R775 WeakPolarHBondContact OD1-CG 3.47Å; D773-R775 IonicContact OD1-NE 2.63Å; D773-R775 IonicContact OD2-CZ 2.7Å; D773-R775 IonicContact OD2-NE 2.77Å; D773-R775 PolarHBondContact OD2-NE 2.77Å; D773-R775 IonicContact OD2-NH2 2.71Å; D773-R775 PolarHBondContact OD2-NH2 2.88Å; R775-D777 PolarHBondContact O-N 2.93Å; R775-R778 VanDerWaalsContact NH1-NH2 3.15Å
776	S	54.2	Low	62.9	Low	59 Å²	59	87.4 Å²	87.4	41%	0.413	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-56.6	-36.2	173.5	-57.4	0	0	0	0	112.1	N477 T774 R778	N477-S776 PolarHBondContact ND2-O 2.87Å; T774-S776 PolarHBondContact O-N 2.92Å; S776-R778 PolarHBondContact O-N 3.28Å
777	D	48.6	Very low	61.3	Low	150 Å²	150	87.5 Å²	87.5	80%	0.802	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-75.3	-21.8	-161	-48.5	-15.4	0	0	0	115.9	R775	R775-D777 PolarHBondContact O-N 2.93Å
778	R	56.7	Low	59.6	Low	162 Å²	162	93.8 Å²	93.8	61%	0.611	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-81.4	-24.1	-168.4	-95.7	-162.3	-85.6	177.8	-9.9	115.1	R775 S776	R775-R778 VanDerWaalsContact NH1-NH2 3.15Å; S776-R778 PolarHBondContact O-N 3.28Å
779	Y	56.6	Low	57.7	Low	105 Å²	105	95.5 Å²	95.5	41%	0.412	52%	0.521	S	S	.	.			trans	-139	77	-176.4	-67	-69	0	0	0	110.3	N477 A479 H781	N477-Y779 VanDerWaalsContact CG-O 3.3Å; N477-Y779 PolarHBondContact ND2-O 2.77Å; N477-Y779 PolarHBondContact OD1-O 3.45Å; N477-Y779 VanDerWaalsContact OD1-O 3.06Å; A479-Y779 HydrophobicContact CB-CE1 4.26Å; Y779-H781 PolarHBondContact O-N 2.7Å
780	N	54.8	Low	56	Low	105 Å²	105	102.4 Å²	102.4	56%	0.561	55%	0.547	S	S	*	.			trans	-68.5	98.6	178.9	-170.6	-9.8	0	0	0	110.9	D782 V783	N780-D782 PolarHBondContact OD1-N 2.71Å; N780-V783 HydrophobicContact CB-CG2 4.17Å
781	H	59.1	Low	54.4	Low	27 Å²	27	104 Å²	104	13%	0.125	56%	0.558	C	S	.	*			trans	-84.6	-14	173.9	-72.9	-55.7	0	0	0	112.6	N477 G478 K501 Y779 V783	N477-H781 PolarHBondContact OD1-CD2 2.9Å; G478-H781 PolarHBondContact O-NE2 3.35Å; K501-H781 WeakPolarHBondContact CE-O 3.45Å; K501-H781 PolarHBondContact NZ-O 2.75Å; Y779-H781 PolarHBondContact O-N 2.7Å; H781-V783 VanDerWaalsContact C-N 3.28Å; H781-V783 PolarHBondContact O-N 3.17Å
782	D	54.8	Low	52.7	Low	121 Å²	121	109.9 Å²	109.9	65%	0.647	59%	0.588	S	S	*	*			trans	-89.5	16	-172.5	-53.1	-47	0	0	0	113.5	N780 E784	N780-D782 PolarHBondContact OD1-N 2.71Å; D782-E784 PolarHBondContact O-N 2.98Å; D782-E784 VanDerWaalsContact O-N 3.11Å
783	V	44.5	Very low	51.2	Low	80 Å²	80	112.1 Å²	112.1	49%	0.485	60%	0.601	S	S	.	*			trans	-73.9	102.9	176.3	-170.4	0	0	0	0	110.2	N780 H781 S785	N780-V783 HydrophobicContact CB-CG2 4.17Å; H781-V783 VanDerWaalsContact C-N 3.28Å; H781-V783 PolarHBondContact O-N 3.17Å; V783-S785 PolarHBondContact O-N 3.41Å
784	E	45.3	Very low	50.4	Low	200 Å²	200	112.7 Å²	112.7	94%	0.935	61%	0.609	S	S	*	*			trans	-70.3	54.6	167.4	-62.3	-173.1	136.2	0	0	112.2	D782 G786	D782-E784 PolarHBondContact O-N 2.98Å; D782-E784 VanDerWaalsContact O-N 3.11Å; E784-G786 PolarHBondContact O-N 2.84Å
785	S	46.3	Very low	50.3	Low	91 Å²	91	111.5 Å²	111.5	64%	0.636	61%	0.606	S	S	*	*			trans	-83	101.8	166.5	55.4	0	0	0	0	108.6	V783 D787	V783-S785 PolarHBondContact O-N 3.41Å; S785-D787 PolarHBondContact O-N 2.86Å
786	G	36.9	Very low	50.6	Low	78 Å²	78	108.2 Å²	108.2	80%	0.804	60%	0.596	S	S	*	*			trans	-60.4	121.2	-177.1	0	0	0	0	0	113	E784	E784-G786 PolarHBondContact O-N 2.84Å
787	D	45.5	Very low	51.4	Low	123 Å²	123	105.9 Å²	105.9	66%	0.658	58%	0.578	S	S	*	*			trans	-123.5	93.3	172	-168.1	43.6	0	0	0	107.7	S785 G789 W790	S785-D787 PolarHBondContact O-N 2.86Å; D787-G789 PolarHBondContact O-N 3.09Å; D787-W790 PolarHBondContact OD2-NE1 2.98Å
788	E	44.2	Very low	52	Low	200 Å²	200	102 Å²	102	94%	0.935	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	101.5	-175.1	-64.6	-176.8	166.1	0	0	110.3
789	G	43.5	Very low	52.7	Low	59 Å²	59	94.7 Å²	94.7	61%	0.608	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179	-32.9	174.3	0	0	0	0	0	117.5	D787 S791	D787-G789 PolarHBondContact O-N 3.09Å; G789-S791 PolarHBondContact O-N 3.32Å
790	W	47.6	Very low	53.4	Low	153 Å²	153	89.7 Å²	89.7	58%	0.58	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	22.2	-166.4	-63.6	96.9	0	0	0	116.9	D787	D787-W790 PolarHBondContact OD2-NE1 2.98Å
791	S	49.5	Very low	54.3	Low	107 Å²	107	87.1 Å²	87.1	75%	0.748	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.7	-172.5	-165.7	0	0	0	0	115.3	G789	G789-S791 PolarHBondContact O-N 3.32Å
792	E	48.5	Very low	54.9	Low	178 Å²	178	86.2 Å²	86.2	83%	0.832	50%	0.504	S	S	*	.	S	Bend	trans	-94.2	-19.4	-170.4	-63.2	-172	141.6	0	0	114.2	S794	E792-S794 PolarHBondContact O-N 2.99Å
793	N	50.3	Low	55.1	Low	72 Å²	72	82 Å²	82	39%	0.385	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	26	179.6	-78.5	12.5	0	0	0	114.2	S795 I796	N793-S795 PolarHBondContact O-N 2.85Å; N793-I796 HydrophobicContact CB-CD1 4.27Å; N793-I796 PolarHBondContact O-N 3.03Å
794	S	54.5	Low	56.1	Low	74 Å²	74	78.3 Å²	78.3	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-63.6	-36.1	-174.1	58.3	0	0	0	0	113.5	E792 I796 F797 S798	E792-S794 PolarHBondContact O-N 2.99Å; S794-I796 VanDerWaalsContact C-N 3.29Å; S794-I796 PolarHBondContact O-N 3.08Å; S794-F797 PolarHBondContact O-N 3.49Å; S794-S798 PolarHBondContact O-N 3.2Å; S794-S798 VanDerWaalsContact O-N 3.12Å
795	S	57.9	Low	57	Low	87 Å²	87	72 Å²	72	61%	0.608	44%	0.438	S	S	*	.	H	α-helix	trans	-56.5	-41.6	-178.2	-167.1	0	0	0	0	112.8	N793 F797 S798	N793-S795 PolarHBondContact O-N 2.85Å; S795-F797 PolarHBondContact O-N 2.91Å; S795-S798 WeakPolarHBondContact O-CB 3.27Å; S795-S798 PolarHBondContact O-N 2.74Å; S795-S798 PolarHBondContact O-OG 2.97Å
796	I	64	Low	57.9	Low	41 Å²	41	71.6 Å²	71.6	21%	0.21	42%	0.423	C	S	.	.	H	α-helix	trans	-61.4	-31.6	-176.4	-58.4	173.7	0	0	0	112.3	L288 L511 N793 S794	L288-I796 HydrophobicContact CD2-CD1 3.91Å; L288-I796 HydrophobicContact CD2-CG1 4.35Å; L511-I796 HydrophobicContact CD1-CG2 4.48Å; L511-I796 HydrophobicContact CD2-CG2 3.52Å; N793-I796 HydrophobicContact CB-CD1 4.27Å; N793-I796 PolarHBondContact O-N 3.03Å; S794-I796 VanDerWaalsContact C-N 3.29Å; S794-I796 PolarHBondContact O-N 3.08Å
797	F	69.3	Low	59.3	Low	11 Å²	11	68.2 Å²	68.2	5%	0.048	39%	0.386	C	S	.	.	H	α-helix	trans	-101.5	-10.9	-178.3	-61	-70.8	0	0	0	113.8	K502 V506 L511 E537 L542 S794 S795 S799 F800	K502-F797 HydrophobicContact CB-CE1 4.48Å; K502-F797 HydrophobicContact CB-CE2 4.2Å; K502-F797 HydrophobicContact CB-CZ 3.95Å; K502-F797 HydrophobicContact CD-CD2 4Å; K502-F797 HydrophobicContact CD-CE2 4.05Å; K502-F797 HydrophobicContact CD-CG 4.28Å; K502-F797 HydrophobicContact CD-CZ 4.39Å; K502-F797 HydrophobicContact CG-CD1 4.4Å; K502-F797 HydrophobicContact CG-CD2 4.42Å; K502-F797 HydrophobicContact CG-CE1 4.12Å; K502-F797 HydrophobicContact CG-CE2 4.15Å; K502-F797 HydrophobicContact CG-CZ 3.97Å; V506-F797 HydrophobicContact CG2-CE2 4.5Å; V506-F797 HydrophobicContact CG2-CZ 3.8Å; L511-F797 HydrophobicContact CD1-CD1 3.98Å; L511-F797 HydrophobicContact CD1-CE1 3.52Å; L511-F797 HydrophobicContact CD1-CZ 4.4Å; E537-F797 WeakPolarHBondContact OE2-CB 3.49Å; L542-F797 HydrophobicContact CD1-CD1 3.93Å; L542-F797 HydrophobicContact CD1-CE1 3.97Å; L542-F797 HydrophobicContact CD2-CB 4.28Å; L542-F797 HydrophobicContact CD2-CD1 3.71Å; L542-F797 HydrophobicContact CD2-CE1 4.36Å; L542-F797 HydrophobicContact CD2-CG 4.23Å; L542-F797 HydrophobicContact CG-CD1 4.26Å; L542-F797 HydrophobicContact CG-CE1 4.45Å; S794-F797 PolarHBondContact O-N 3.49Å; S795-F797 PolarHBondContact O-N 2.91Å; F797-S799 PolarHBondContact O-N 3.46Å; F797-S799 VanDerWaalsContact O-N 3.11Å; F797-F800 WeakPolarHBondContact O-CB 3.31Å; F797-F800 PolarHBondContact O-N 3.41Å
798	S	62.7	Low	60.1	Low	67 Å²	67	64.4 Å²	64.4	47%	0.469	37%	0.368	S	S	.	.	H	α-helix	trans	-54.7	-33.9	-176.2	66.4	0	0	0	0	113.9	S794 S795 F800	S794-S798 PolarHBondContact O-N 3.2Å; S794-S798 VanDerWaalsContact O-N 3.12Å; S795-S798 WeakPolarHBondContact O-CB 3.27Å; S795-S798 PolarHBondContact O-N 2.74Å; S795-S798 PolarHBondContact O-OG 2.97Å; S798-F800 VanDerWaalsContact C-N 3.3Å; S798-F800 PolarHBondContact O-N 3.42Å
799	S	70.5	Confident	60.8	Low	10 Å²	10	59.4 Å²	59.4	7%	0.07	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.8	178.5	63.5	0	0	0	0	114.3	F515 R518 F797	F515-S799 WeakPolarHBondContact CZ-OG 3.4Å; R518-S799 PolarHBondContact NH1-O 3.4Å; F797-S799 PolarHBondContact O-N 3.46Å; F797-S799 VanDerWaalsContact O-N 3.11Å
800	F	72	Confident	61.6	Low	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-39.9	-178	-179.1	-102	0	0	0	112.3	V514 F515 R518 S535 F536 L542 L544 F797 S798 S802	V514-F800 HydrophobicContact CG1-CE2 3.91Å; F515-F800 HydrophobicContact CE1-CB 4.2Å; F515-F800 HydrophobicContact CE1-CD2 4.32Å; F515-F800 HydrophobicContact CE2-CB 4.48Å; F515-F800 HydrophobicContact CE2-CD2 4.34Å; F515-F800 HydrophobicContact CZ-CB 3.82Å; F515-F800 HydrophobicContact CZ-CD2 4.22Å; R518-F800 HydrophobicContact CB-CE2 4.42Å; R518-F800 VanDerWaalsContact CD-O 3.24Å; R518-F800 WeakPolarHBondContact CD-O 3.34Å; R518-F800 PolarHBondContact NH1-O 3.41Å; S535-F800 PolarHBondContact OG-O 2.92Å; F536-F800 WeakPolarHBondContact O-CE1 3.19Å; L542-F800 HydrophobicContact CB-CD1 4.19Å; L542-F800 HydrophobicContact CB-CE1 3.72Å; L542-F800 HydrophobicContact CB-CE2 4.2Å; L542-F800 HydrophobicContact CB-CZ 3.72Å; L542-F800 HydrophobicContact CD1-CD2 4.15Å; L542-F800 HydrophobicContact CD1-CE2 4.19Å; L542-F800 HydrophobicContact CD1-CG 4.48Å; L542-F800 HydrophobicContact CD2-CB 4.26Å; L542-F800 HydrophobicContact CD2-CD1 3.81Å; L542-F800 HydrophobicContact CD2-CD2 4.38Å; L542-F800 HydrophobicContact CD2-CE1 4.24Å; L542-F800 HydrophobicContact CD2-CG 3.88Å; L542-F800 HydrophobicContact CG-CD1 4.48Å; L542-F800 HydrophobicContact CG-CE1 4.47Å; L544-F800 HydrophobicContact CD2-CE1 4.4Å; L544-F800 HydrophobicContact CD2-CE2 4.15Å; L544-F800 HydrophobicContact CD2-CZ 3.51Å; L544-F800 HydrophobicContact CG-CZ 4.27Å; F797-F800 WeakPolarHBondContact O-CB 3.31Å; F797-F800 PolarHBondContact O-N 3.41Å; S798-F800 VanDerWaalsContact C-N 3.3Å; S798-F800 PolarHBondContact O-N 3.42Å; F800-S802 PolarHBondContact O-N 2.94Å
801	S	74.2	Confident	62.2	Low	50 Å²	50	51.8 Å²	51.8	35%	0.35	30%	0.304	S	S	.	.			trans	-68.9	123.4	-171.5	-56.7	0	0	0	0	112.8	S535 E537	S535-S801 CarbonylContact O-C 3.52Å; S535-S801 VanDerWaalsContact O-CA 3.29Å; S535-S801 WeakPolarHBondContact O-CA 3.45Å; E537-S801 PolarHBondContact N-OG 2.71Å
802	S	70.7	Confident	62.4	Low	9 Å²	9	50.7 Å²	50.7	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.5	-179.9	77	0	0	0	0	111.8	G534 S535 F800	G534-S802 CarbonylContact C-O 3.58Å; G534-S802 WeakPolarHBondContact CA-O 3.33Å; S535-S802 PolarHBondContact N-O 3.44Å; S535-S802 PolarHBondContact O-N 3.31Å; S535-S802 PolarHBondContact OG-N 3.2Å; S535-S802 PolarHBondContact OG-OG 3.24Å; F800-S802 PolarHBondContact O-N 2.94Å
803	C	59	Low	62.6	Low	31 Å²	31	44.6 Å²	44.6	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.1	174	-60.2	0	0	0	0	108.7	V462	V462-C803 PolarHBondContact O-SG 3.01Å
804	S	65.8	Low	62.5	Low	4 Å²	4	46.5 Å²	46.5	3%	0.028	27%	0.272	C	S	.	.			trans	-79.3	150.9	179.6	88.9	0	0	0	0	110.3	F532 Y533 R806 Y807 S808	F532-S804 WeakPolarHBondContact O-CB 3.24Å; F532-S804 PolarHBondContact O-OG 3.24Å; Y533-S804 PolarHBondContact O-N 3.44Å; Y533-S804 PolarHBondContact O-OG 2.92Å; S804-R806 PolarHBondContact O-N 3.19Å; S804-R806 PolarHBondContact OG-N 3.47Å; S804-Y807 PolarHBondContact O-N 3.49Å; S804-S808 PolarHBondContact O-N 2.89Å
805	P	63.2	Low	61.8	Low	68 Å²	68	46.9 Å²	46.9	44%	0.442	28%	0.275	S	S	.	.	H	α-helix	trans	-55.1	-23.8	176	-27.8	35.7	0	0	0	113.8	L809	P805-L809 WeakPolarHBondContact O-CG 3.38Å; P805-L809 PolarHBondContact O-N 3.42Å; P805-L809 VanDerWaalsContact O-N 3.1Å
806	R	65.1	Low	61	Low	82 Å²	82	46.7 Å²	46.7	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-36.5	175.4	-48.6	-170.8	96	139.5	19.3	112.1	D525 Y533 S804 L810	D525-R806 VanDerWaalsContact CG-CZ 3.44Å; D525-R806 IonicContact OD1-CZ 2.65Å; D525-R806 IonicContact OD1-NH1 3.19Å; D525-R806 PolarHBondContact OD1-NH1 3.31Å; D525-R806 IonicContact OD1-NH2 2.94Å; D525-R806 PolarHBondContact OD1-NH2 3.02Å; D525-R806 IonicContact OD2-CZ 2.65Å; D525-R806 IonicContact OD2-NH1 2.84Å; D525-R806 IonicContact OD2-NH2 3.03Å; D525-R806 PolarHBondContact OD2-NH2 3.43Å; Y533-R806 HydrophobicContact CD1-CB 4.35Å; Y533-R806 HydrophobicContact CE1-CB 4.32Å; S804-R806 PolarHBondContact O-N 3.19Å; S804-R806 PolarHBondContact OG-N 3.47Å; R806-L810 WeakPolarHBondContact O-CG 3.49Å; R806-L810 PolarHBondContact O-N 2.9Å; R806-L810 VanDerWaalsContact O-N 3.15Å
807	Y	68.1	Low	59.9	Low	7 Å²	7	51.4 Å²	51.4	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-73.1	-41.8	178.9	-168.5	-93.4	0	0	0	111.7	L464 F495 Y533 L545 S804 L809 L810 T811	L464-Y807 HydrophobicContact CD2-CD1 4.11Å; L464-Y807 HydrophobicContact CD2-CE1 3.53Å; L464-Y807 HydrophobicContact CD2-CE2 4.03Å; L464-Y807 VanDerWaalsContact CD2-CZ 3.48Å; L464-Y807 HydrophobicContact CG-CE1 4.37Å; F495-Y807 HydrophobicContact CZ-CE2 4.49Å; Y533-Y807 HydrophobicContact CD1-CD2 4.39Å; Y533-Y807 VanDerWaalsContact O-CB 3.31Å; Y533-Y807 WeakPolarHBondContact O-CB 3.3Å; L545-Y807 HydrophobicContact CD2-CD2 4.4Å; L545-Y807 HydrophobicContact CD2-CE2 4.26Å; S804-Y807 PolarHBondContact O-N 3.49Å; Y807-L809 VanDerWaalsContact C-N 3.31Å; Y807-L809 PolarHBondContact O-N 2.84Å; Y807-L810 WeakPolarHBondContact O-CB 3.27Å; Y807-L810 PolarHBondContact O-N 2.69Å; Y807-T811 HydrophobicContact CD1-CG2 4.15Å; Y807-T811 HydrophobicContact CE1-CG2 3.64Å; Y807-T811 PolarHBondContact O-N 2.97Å; Y807-T811 PolarHBondContact O-OG1 3.24Å
808	S	60.5	Low	58.2	Low	42 Å²	42	54.3 Å²	54.3	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-44	172.7	-50.9	0	0	0	0	111.7	S804 L810 T811 D812	S804-S808 PolarHBondContact O-N 2.89Å; S808-L810 VanDerWaalsContact C-N 3.3Å; S808-L810 PolarHBondContact O-N 3.41Å; S808-T811 PolarHBondContact O-N 3.44Å; S808-T811 PolarHBondContact O-OG1 2.67Å; S808-D812 VanDerWaalsContact O-CB 3.3Å; S808-D812 WeakPolarHBondContact O-CB 3.33Å; S808-D812 VanDerWaalsContact O-CG 3.25Å; S808-D812 PolarHBondContact O-N 3.1Å
809	L	59.7	Low	56.8	Low	95 Å²	95	55.2 Å²	55.2	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-33.1	175.5	-72.8	173.1	0	0	0	113.1	P805 Y807 S813 V882	P805-L809 WeakPolarHBondContact O-CG 3.38Å; P805-L809 PolarHBondContact O-N 3.42Å; P805-L809 VanDerWaalsContact O-N 3.1Å; Y807-L809 VanDerWaalsContact C-N 3.31Å; Y807-L809 PolarHBondContact O-N 2.84Å; L809-S813 VanDerWaalsContact O-CB 3.25Å; L809-S813 WeakPolarHBondContact O-CB 3.46Å; L809-S813 PolarHBondContact O-N 2.8Å; L809-S813 PolarHBondContact O-OG 2.73Å; L809-V882 HydrophobicContact CD2-CG2 4.31Å
810	L	61.5	Low	54.8	Low	42 Å²	42	62.6 Å²	62.6	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-52.8	172.4	-73.4	168.8	0	0	0	110.5	Y533 R806 Y807 S808 S813 F814	Y533-L810 HydrophobicContact CD1-CD1 3.9Å; Y533-L810 HydrophobicContact CE1-CD1 3.62Å; R806-L810 WeakPolarHBondContact O-CG 3.49Å; R806-L810 PolarHBondContact O-N 2.9Å; R806-L810 VanDerWaalsContact O-N 3.15Å; Y807-L810 WeakPolarHBondContact O-CB 3.27Å; Y807-L810 PolarHBondContact O-N 2.69Å; S808-L810 VanDerWaalsContact C-N 3.3Å; S808-L810 PolarHBondContact O-N 3.41Å; L810-S813 PolarHBondContact O-N 2.86Å; L810-S813 PolarHBondContact O-OG 3.14Å; L810-F814 WeakPolarHBondContact O-CD2 3.32Å
811	T	59.2	Low	52.8	Low	10 Å²	10	70.2 Å²	70.2	6%	0.061	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-44.8	-179.2	52.1	0	0	0	0	112.4	Y807 S808 S813 F814 S815	Y807-T811 HydrophobicContact CD1-CG2 4.15Å; Y807-T811 HydrophobicContact CE1-CG2 3.64Å; Y807-T811 PolarHBondContact O-N 2.97Å; Y807-T811 PolarHBondContact O-OG1 3.24Å; S808-T811 PolarHBondContact O-N 3.44Å; S808-T811 PolarHBondContact O-OG1 2.67Å; T811-S813 VanDerWaalsContact C-N 3.27Å; T811-S813 PolarHBondContact O-N 3.36Å; T811-F814 PolarHBondContact O-N 2.88Å; T811-F814 VanDerWaalsContact O-N 3.14Å; T811-S815 WeakPolarHBondContact O-CB 3.14Å; T811-S815 PolarHBondContact O-N 2.76Å
812	D	53.7	Low	50.6	Low	85 Å²	85	74 Å²	74	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-35.4	179.8	-72.5	-23.4	0	0	0	111.8	S808 F814 S815 A816	S808-D812 VanDerWaalsContact O-CB 3.3Å; S808-D812 WeakPolarHBondContact O-CB 3.33Å; S808-D812 VanDerWaalsContact O-CG 3.25Å; S808-D812 PolarHBondContact O-N 3.1Å; D812-F814 PolarHBondContact O-N 3.36Å; D812-F814 VanDerWaalsContact O-N 3.13Å; D812-S815 PolarHBondContact O-N 3.08Å; D812-A816 VanDerWaalsContact O-CB 3.24Å; D812-A816 WeakPolarHBondContact O-CB 3.28Å; D812-A816 PolarHBondContact O-N 3.01Å
813	S	52.3	Low	48.6	Very low	50 Å²	50	79.3 Å²	79.3	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-12.6	178.9	79.2	0	0	0	0	114.6	L809 L810 T811 K817	L809-S813 VanDerWaalsContact O-CB 3.25Å; L809-S813 WeakPolarHBondContact O-CB 3.46Å; L809-S813 PolarHBondContact O-N 2.8Å; L809-S813 PolarHBondContact O-OG 2.73Å; L810-S813 PolarHBondContact O-N 2.86Å; L810-S813 PolarHBondContact O-OG 3.14Å; T811-S813 VanDerWaalsContact C-N 3.27Å; T811-S813 PolarHBondContact O-N 3.36Å; S813-K817 WeakPolarHBondContact O-CE 3.42Å; S813-K817 PolarHBondContact O-NZ 2.73Å
814	F	47.8	Very low	47.3	Very low	112 Å²	112	85.2 Å²	85.2	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-110.9	-37.6	171.9	-69.6	-80.6	0	0	0	112.3	L810 T811 D812 A816 K817 G818	L810-F814 WeakPolarHBondContact O-CD2 3.32Å; T811-F814 PolarHBondContact O-N 2.88Å; T811-F814 VanDerWaalsContact O-N 3.14Å; D812-F814 PolarHBondContact O-N 3.36Å; D812-F814 VanDerWaalsContact O-N 3.13Å; F814-A816 VanDerWaalsContact C-N 3.29Å; F814-A816 PolarHBondContact O-N 3.26Å; F814-K817 WeakPolarHBondContact O-CA 3.25Å; F814-K817 WeakPolarHBondContact O-CB 3.43Å; F814-K817 PolarHBondContact O-N 3.43Å; F814-G818 PolarHBondContact O-N 2.83Å
815	S	41.5	Very low	45.4	Very low	82 Å²	82	93 Å²	93	57%	0.573	54%	0.539	S	S	*	.	H	α-helix	trans	-54.4	-44.7	172.2	-177	0	0	0	0	111.9	T811 D812 K817 G818	T811-S815 WeakPolarHBondContact O-CB 3.14Å; T811-S815 PolarHBondContact O-N 2.76Å; D812-S815 PolarHBondContact O-N 3.08Å; S815-K817 PolarHBondContact O-N 2.89Å; S815-G818 PolarHBondContact O-N 3.03Å
816	A	40.4	Very low	43.8	Very low	82 Å²	82	97.2 Å²	97.2	68%	0.678	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-2.6	176.1	0	0	0	0	0	115	D812 F814	D812-A816 VanDerWaalsContact O-CB 3.24Å; D812-A816 WeakPolarHBondContact O-CB 3.28Å; D812-A816 PolarHBondContact O-N 3.01Å; F814-A816 VanDerWaalsContact C-N 3.29Å; F814-A816 PolarHBondContact O-N 3.26Å
817	K	41.1	Very low	42	Very low	140 Å²	140	97.4 Å²	97.4	61%	0.609	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-2.8	171.1	-59.5	-179.5	-174.4	121.3	0	112.9	S813 F814 S815 S819	S813-K817 WeakPolarHBondContact O-CE 3.42Å; S813-K817 PolarHBondContact O-NZ 2.73Å; F814-K817 WeakPolarHBondContact O-CA 3.25Å; F814-K817 WeakPolarHBondContact O-CB 3.43Å; F814-K817 PolarHBondContact O-N 3.43Å; S815-K817 PolarHBondContact O-N 2.89Å; K817-S819 PolarHBondContact O-N 3.13Å
818	G	34.3	Very low	40.3	Very low	73 Å²	73	108.2 Å²	108.2	75%	0.753	61%	0.613	S	S	*	*	S	Bend	trans	-71.9	-11.1	179.8	0	0	0	0	0	114.5	F814 S815	F814-G818 PolarHBondContact O-N 2.83Å; S815-G818 PolarHBondContact O-N 3.03Å
819	S	31.4	Very low	38.9	Very low	85 Å²	85	112.7 Å²	112.7	59%	0.594	63%	0.634	S	S	*	*	S	Bend	trans	-129.9	128.4	178.8	51	0	0	0	0	112	K817	K817-S819 PolarHBondContact O-N 3.13Å
820	N	29.7	Very low	37.5	Very low	165 Å²	165	115.8 Å²	115.8	88%	0.882	65%	0.651	S	S	*	*	S	Bend	trans	65.4	44.3	166.8	-58	-12.7	0	0	0	119
821	E	30	Very low	36.1	Very low	160 Å²	160	118 Å²	118	75%	0.748	68%	0.675	S	S	*	*			trans	-151.8	95.2	140.5	-139.5	170.8	-150.5	0	0	115	T823	E821-T823 VanDerWaalsContact C-N 3.35Å; E821-T823 PolarHBondContact O-N 2.92Å
822	S	28.1	Very low	34.9	Very low	129 Å²	129	125.5 Å²	125.5	90%	0.902	72%	0.715	S	S	*	*			trans	-88.4	58.4	172	-57	0	0	0	0	112.4
823	T	28.5	Very low	34.1	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	73%	0.725	S	S	*	*			trans	-156.8	56.8	163.8	-52.7	0	0	0	0	112.5	E821	E821-T823 VanDerWaalsContact C-N 3.35Å; E821-T823 PolarHBondContact O-N 2.92Å
824	L	30.5	Very low	33.3	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	75%	0.745	S	S	*	*			trans	-146.3	59.3	160.7	-83.7	-170.1	0	0	0	112
825	L	27.6	Very low	32.6	Very low	167 Å²	167	134.5 Å²	134.5	87%	0.874	76%	0.761	S	S	*	*			trans	-85.2	124.4	156.1	-75.5	171.6	0	0	0	108.5
826	L	29.4	Very low	32.3	Very low	156 Å²	156	136.2 Å²	136.2	82%	0.817	77%	0.771	S	S	*	*			trans	-114.7	85.9	156.2	-78.8	178.7	0	0	0	108.4
827	S	26.7	Very low	31.9	Very low	87 Å²	87	137.4 Å²	137.4	61%	0.608	77%	0.774	S	S	*	*			trans	-58.8	129.2	154.6	44.7	0	0	0	0	109.1	D829	S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 3.1Å
828	Y	31.9	Very low	31.5	Very low	233 Å²	233	134.7 Å²	134.7	91%	0.914	79%	0.786	S	S	*	*			trans	-93.6	72.3	163.6	-110.2	-85	0	0	0	108.4
829	D	31.8	Very low	31.5	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	79%	0.786	S	S	*	*			trans	-132.7	118.6	172.2	-81	-55	0	0	0	109.3	S827	S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 3.1Å
830	D	29.4	Very low	31.6	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	79%	0.791	S	S	*	*			trans	55.7	150.1	152.9	-102.5	-41.8	0	0	0	125.5
831	A	33.5	Very low	31.9	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	79%	0.787	S	S	*	*			trans	76.3	130.3	151.6	0	0	0	0	0	123.4
832	D	32.6	Very low	32.2	Very low	167 Å²	167	136.5 Å²	136.5	89%	0.893	79%	0.79	S	S	*	*			trans	-64.2	156.6	165	-83.6	-52.6	0	0	0	114.4
833	P	38.1	Very low	32.5	Very low	103 Å²	103	134.8 Å²	134.8	67%	0.669	78%	0.783	S	S	*	*			trans	-121.6	126.3	153.2	34.9	-22.7	0	0	0	115
834	N	35.7	Very low	32.8	Very low	144 Å²	144	132 Å²	132	77%	0.77	78%	0.779	S	S	*	*			trans	79.1	96	149.4	-56.7	-37	0	0	0	121.6
835	F	32	Very low	33.1	Very low	189 Å²	189	132 Å²	132	83%	0.829	78%	0.78	S	S	*	*				39.1	134.5	106.3	-82.9	-94.6	0	0	0	119.5
836	P	35.7	Very low	33.6	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	77%	0.774	S	S	*	*				-141.6	137.1	66.9	37.7	-21.2	0	0	0	118.4
837	S	31.7	Very low	33.7	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	77%	0.772	S	S	*	*			trans	34.5	107.1	146.5	61.5	0	0	0	0	120.4
838	G	33.3	Very low	33.8	Very low	83 Å²	83	135.6 Å²	135.6	86%	0.856	78%	0.776	S	S	*	*			trans	-163.1	109.9	164.6	0	0	0	0	0	112.2
839	S	33.7	Very low	33.8	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	76%	0.762	S	S	*	*			trans	-82.7	145.8	-165	52.9	0	0	0	0	116.4
840	T	34.4	Very low	33.7	Very low	111 Å²	111	128.4 Å²	128.4	68%	0.681	76%	0.759	S	S	*	*			trans	72.8	107.8	145.6	48.3	0	0	0	0	122.8
841	K	35.8	Very low	34	Very low	185 Å²	185	127.5 Å²	127.5	80%	0.804	76%	0.76	S	S	*	*				73	126.4	121.7	-66	-179.4	176.6	-176.6	0	121.7
842	S	35.9	Very low	34.2	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	76%	0.759	S	S	*	*			trans	63.8	153.8	140.7	55.8	0	0	0	0	119.9
843	A	35.1	Very low	34.5	Very low	93 Å²	93	125 Å²	125	77%	0.769	74%	0.744	S	S	*	*			cis	-171.6	147.8	-25.2	0	0	0	0	0	107.7
844	G	33.9	Very low	34.4	Very low	64 Å²	64	127 Å²	127	66%	0.66	74%	0.743	S	S	*	*			trans	71.7	175.3	179.2	0	0	0	0	0	114.7
845	D	37.6	Very low	34.6	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	74%	0.736	S	S	*	*			cis	-167.8	155.8	-12.7	-103.4	-21.5	0	0	0	109.2
846	E	36.6	Very low	34.8	Very low	160 Å²	160	124.9 Å²	124.9	75%	0.748	73%	0.73	S	S	*	*			trans	62	132.5	158.6	-56	-78.5	79.6	0	0	121.1
847	E	33.3	Very low	34.7	Very low	165 Å²	165	126.6 Å²	126.6	77%	0.771	73%	0.728	S	S	*	*			trans	53.4	162.2	130.6	-65.5	-145	137.4	0	0	124
848	F	28.5	Very low	34.7	Very low	161 Å²	161	127.5 Å²	127.5	71%	0.706	73%	0.729	S	S	*	*			cis	-175.5	170.8	-26.8	-179.7	-118.2	0	0	0	108.7
849	C	30.3	Very low	34.6	Very low	91 Å²	91	129.3 Å²	129.3	62%	0.615	72%	0.724	S	S	*	*			trans	65.7	144	174.2	-86.7	0	0	0	0	117.3
850	N	29.7	Very low	34.5	Very low	126 Å²	126	131.3 Å²	131.3	67%	0.674	73%	0.731	S	S	*	*			cis	106.1	155.4	26.4	-77.2	-33.3	0	0	0	114.5
851	T	35.9	Very low	34.2	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	73%	0.733	S	S	*	*			trans	87.5	143.5	174.2	71.3	0	0	0	0	116.3
852	D	38.4	Very low	33.9	Very low	130 Å²	130	126.1 Å²	126.1	70%	0.695	73%	0.734	S	S	*	*			cis	-165.1	164.9	-21.8	174.2	34.5	0	0	0	109.1	K854	D852-K854 IonicContact OD1-NZ 3.62Å; D852-K854 PolarHBondContact OD1-NZ 3.47Å; D852-K854 IonicContact OD2-NZ 3.4Å; D852-K854 PolarHBondContact OD2-NZ 3.4Å
853	A	38.3	Very low	33.4	Very low	71 Å²	71	126.8 Å²	126.8	59%	0.587	74%	0.737	S	S	*	*			trans	78.6	159.4	151.2	0	0	0	0	0	119.2
854	K	37.5	Very low	33.2	Very low	147 Å²	147	128.1 Å²	128.1	64%	0.639	74%	0.738	S	S	*	*			cis	-174.9	156.8	-19.8	-106.3	170.8	-151.8	81.9	0	107	D852	D852-K854 IonicContact OD1-NZ 3.62Å; D852-K854 PolarHBondContact OD1-NZ 3.47Å; D852-K854 IonicContact OD2-NZ 3.4Å; D852-K854 PolarHBondContact OD2-NZ 3.4Å
855	Q	38.2	Very low	33.1	Very low	133 Å²	133	129.6 Å²	129.6	62%	0.621	74%	0.744	S	S	*	*			cis	-166.6	158.7	-6.9	-148.6	171.9	-110.2	0	0	109.5
856	Q	37.1	Very low	32.6	Very low	154 Å²	154	127.9 Å²	127.9	72%	0.72	74%	0.744	S	S	*	*			trans	63.4	163.3	158.7	-75.9	154.9	-29.8	0	0	119.7
857	Q	34.6	Very low	32.3	Very low	155 Å²	155	124.7 Å²	124.7	72%	0.724	75%	0.745	S	S	*	*			cis	-167.6	135.7	-45.2	-151.8	-179.6	-9.8	0	0	109.8
858	T	30.8	Very low	32.1	Very low	126 Å²	126	124.5 Å²	124.5	77%	0.773	75%	0.748	S	S	*	*			trans	63.1	157.4	173.2	86.1	0	0	0	0	116.2
859	T	31.7	Very low	32	Very low	122 Å²	122	121.8 Å²	121.8	75%	0.748	75%	0.749	S	S	*	*			cis	-132.7	145.1	0.1	47.5	0	0	0	0	112.7
860	V	30.4	Very low	31.9	Very low	150 Å²	150	123.5 Å²	123.5	91%	0.909	76%	0.757	S	S	*	*			trans	6.8	130.9	149.7	-167	0	0	0	0	119.6
861	G	28.1	Very low	31.9	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	76%	0.757	S	S	*	*			trans	145.3	88.6	138.4	0	0	0	0	0	120.2
862	S	30.4	Very low	31.4	Very low	118 Å²	118	124.3 Å²	124.3	83%	0.825	76%	0.757	S	S	*	*			trans	66.2	142.3	155.4	-153.6	0	0	0	0	119.7
863	C	25.8	Very low	31.1	Very low	129 Å²	129	126.6 Å²	126.6	87%	0.872	77%	0.768	S	S	*	*			trans	-141.7	125.6	174.3	-70.4	0	0	0	0	110.6
864	P	30.3	Very low	30.6	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	77%	0.772	S	S	*	*			trans	-125.5	116.7	163.3	34	-19.8	0	0	0	112.8
865	A	32.2	Very low	30.3	Very low	96 Å²	96	129 Å²	129	79%	0.793	78%	0.778	S	S	*	*			trans	-149.5	138.7	161	0	0	0	0	0	108
866	S	26.5	Very low	29.9	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	78%	0.776	S	S	*	*			cis	79.6	80.3	21.8	-47.1	0	0	0	0	115.6
867	A	31.2	Very low	29.7	Very low	93 Å²	93	125.6 Å²	125.6	77%	0.769	78%	0.784	S	S	*	*			trans	179.5	115.9	137.2	0	0	0	0	0	115.3
868	L	28.1	Very low	29.4	Very low	160 Å²	160	126.7 Å²	126.7	84%	0.838	79%	0.786	S	S	*	*				45.8	107.7	124	-57.3	172.8	0	0	0	122.1
869	S	26.6	Very low	29.4	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	79%	0.79	S	S	*	*				94.9	147.9	105.7	74.1	0	0	0	0	124.8
870	V	28.6	Very low	29.3	Very low	127 Å²	127	125.6 Å²	125.6	77%	0.77	79%	0.789	S	S	*	*			trans	91.4	133	155.3	-163.4	0	0	0	0	119.4
871	S	29.5	Very low	29.2	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	79%	0.786	S	S	*	*			trans	54.9	113.8	167.6	50.6	0	0	0	0	117.7
872	E	25.5	Very low	29.3	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	78%	0.78	S	S	*	*				64.2	108	61.6	-65	-163.2	138.8	0	0	115.3
873	I	30.8	Very low	29.3	Very low	179 Å²	179	132.1 Å²	132.1	92%	0.918	78%	0.778	S	S	*	*				-162.6	156.1	119.1	-98.5	158.1	0	0	0	108.8
874	N	28.1	Very low	29.6	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	77%	0.774	S	S	*	*			trans	-101.4	149.1	-161.8	-177.4	9.6	0	0	0	112.9
875	N	32.3	Very low	29.5	Very low	144 Å²	144	132 Å²	132	77%	0.77	78%	0.775	S	S	*	*			trans	-168.3	109.3	140.5	-105	-40.1	0	0	0	116.5
876	N	29.7	Very low	29.6	Very low	107 Å²	107	135.8 Å²	135.8	57%	0.572	78%	0.782	S	S	*	*			trans	38.9	112.6	136.3	-69.8	-67.6	0	0	0	122.3
877	A	32.2	Very low	29.9	Very low	107 Å²	107	134.6 Å²	134.6	88%	0.884	78%	0.78	S	S	*	*			trans	-138.6	136.9	130.8	0	0	0	0	0	108.4
878	K	29.5	Very low	29.8	Very low	178 Å²	178	138.2 Å²	138.2	77%	0.774	79%	0.785	S	S	*	*			trans	-107.7	124.4	-166.3	-70.4	178.6	-179.6	172.9	0	113.4
879	A	29.9	Very low	30.1	Very low	103 Å²	103	136 Å²	136	85%	0.851	78%	0.783	S	S	*	*			trans	-114.8	123.4	152.8	0	0	0	0	0	107.9
880	V	29	Very low	30.4	Very low	123 Å²	123	135.2 Å²	135.2	75%	0.745	79%	0.791	S	S	*	*			trans	-95.7	107.1	-170.2	-179.9	0	0	0	0	110.7	V882	V880-V882 HydrophobicContact CG1-CG2 4.01Å
881	M	28.2	Very low	30.5	Very low	170 Å²	170	132.3 Å²	132.3	84%	0.837	79%	0.787	S	S	*	*			trans	-98.8	110	167.5	-173.4	-176	-172.6	0	0	109.1
882	V	30.3	Very low	30.5	Very low	96 Å²	96	134.2 Å²	134.2	58%	0.582	80%	0.795	S	S	*	*			trans	-79.9	131	-179.3	-177.6	0	0	0	0	110.5	L809 V880	L809-V882 HydrophobicContact CD2-CG2 4.31Å; V880-V882 HydrophobicContact CG1-CG2 4.01Å
883	R	31.6	Very low	30.8	Very low	208 Å²	208	131.5 Å²	131.5	79%	0.785	79%	0.791	S	S	*	*			trans	-125.4	133.1	167.4	-101.9	-177.5	170.4	174.9	-2.6	109
884	P	31.5	Very low	30.7	Very low	121 Å²	121	128.4 Å²	128.4	79%	0.786	79%	0.785	S	S	*	*			trans	-70.9	147.1	171.3	30.2	-33.8	0	0	0	110.8
885	P	29	Very low	30.8	Very low	125 Å²	125	128.4 Å²	128.4	81%	0.812	80%	0.795	S	S	*	*			trans	-83.9	157.9	-178.6	34.7	-35.7	0	0	0	112.4
886	N	33	Very low	30.4	Very low	176 Å²	176	127 Å²	127	94%	0.941	80%	0.796	S	S	*	*			trans	-143.9	144.9	162.2	-129.5	-10.6	0	0	0	109.4
887	A	32.9	Very low	30.5	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	81%	0.81	S	S	*	*			trans	-95.3	157	-160.4	0	0	0	0	0	115.6
888	L	29.8	Very low	30.1	Very low	170 Å²	170	127.3 Å²	127.3	89%	0.89	81%	0.806	S	S	*	*			trans	-41.9	157	167.5	-59.1	146.7	0	0	0	112.8
889	S	34	Very low	29.9	Very low	114 Å²	114	124.1 Å²	124.1	80%	0.797	81%	0.805	S	S	*	*			cis	-168.1	149.2	37	57.8	0	0	0	0	115.1
890	G	32.3	Very low	29.7	Very low	86 Å²	86	125 Å²	125	89%	0.887	81%	0.805	S	S	*	*			trans	83.6	134.5	150.1	0	0	0	0	0	118.2
891	G	31.6	Very low	29.7	Very low	66 Å²	66	124.5 Å²	124.5	68%	0.68	80%	0.802	S	S	*	*			cis	167.8	143.8	-11.5	0	0	0	0	0	113.8
892	T	28.9	Very low	29.8	Very low	139 Å²	139	122.5 Å²	122.5	85%	0.853	80%	0.799	S	S	*	*			trans	61.2	129.6	161.7	-22.4	0	0	0	0	116
893	V	32.3	Very low	29.7	Very low	131 Å²	131	123.5 Å²	123.5	79%	0.794	81%	0.807	S	S	*	*			cis	-146.1	151.8	42.9	-160	0	0	0	0	113.1
894	S	27.7	Very low	29.5	Very low	114 Å²	114	120.7 Å²	120.7	80%	0.797	80%	0.801	S	S	*	*			trans	-28.7	131.1	175.8	-44.5	0	0	0	0	120.5
895	S	30.3	Very low	29.3	Very low	125 Å²	125	122.7 Å²	122.7	87%	0.874	80%	0.804	S	S	*	*				-159	162.6	120.1	53.1	0	0	0	0	110.5
896	S	25.4	Very low	29.2	Very low	114 Å²	114	121.4 Å²	121.4	80%	0.797	80%	0.798	S	S	*	*			trans	-98.7	132	-165	55.1	0	0	0	0	114.5
897	V	30.4	Very low	29	Very low	144 Å²	144	119 Å²	119	87%	0.873	79%	0.79	S	S	*	*			trans	-171.4	139.4	131.8	141.6	0	0	0	0	107.4
898	G	24.3	Very low	28.7	Very low	76 Å²	76	119.6 Å²	119.6	78%	0.784	79%	0.788	S	S	*	*			trans	-85.1	146.9	179.9	0	0	0	0	0	112.7
899	C	26.7	Very low	28.8	Very low	112 Å²	112	120.8 Å²	120.8	76%	0.757	79%	0.786	S	S	*	*			trans	-144.1	120.4	168.6	-162.6	0	0	0	0	111.1	T901	C899-T901 PolarHBondContact SG-OG1 3.01Å; C899-T901 VanDerWaalsContact SG-OG1 3.41Å
900	S	24.5	Very low	28.6	Very low	122 Å²	122	124.7 Å²	124.7	85%	0.853	79%	0.792	S	S	*	*			trans	-93.6	120.2	167.6	53.3	0	0	0	0	109.2
901	T	30	Very low	28.4	Very low	111 Å²	111	128.4 Å²	128.4	68%	0.681	79%	0.792	S	S	*	*			trans	-130.3	99.5	-176.5	-39.9	0	0	0	0	112.3	C899	C899-T901 PolarHBondContact SG-OG1 3.01Å; C899-T901 VanDerWaalsContact SG-OG1 3.41Å
902	V	28.9	Very low	28.2	Very low	129 Å²	129	130.9 Å²	130.9	78%	0.782	80%	0.798	S	S	*	*			trans	-105.8	127.6	147.5	-82.3	0	0	0	0	106.9	K904	V902-K904 PolarHBondContact O-N 2.63Å
903	P	28.4	Very low	28.4	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	80%	0.799	S	S	*	*			trans	-79.5	80	-171.1	31.7	-35.5	0	0	0	112.5
904	K	27.1	Very low	28.1	Very low	149 Å²	149	133.5 Å²	133.5	65%	0.648	80%	0.802	S	S	*	*			trans	-83.1	128.5	144.5	-91	-176.6	165	-177.3	0	107.3	N750 V902	N750-K904 PolarHBondContact OD1-NZ 2.7Å; V902-K904 PolarHBondContact O-N 2.63Å
905	L	27.3	Very low	28.3	Very low	163 Å²	163	134 Å²	134	85%	0.853	81%	0.805	S	S	*	*			trans	-124.1	84.5	171.4	-72.8	178.6	0	0	0	110.3
906	S	27.4	Very low	28.2	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	80%	0.8	S	S	*	*			trans	-86.5	132.7	159.6	50.4	0	0	0	0	109
907	V	28.2	Very low	28.5	Very low	125 Å²	125	133.9 Å²	133.9	76%	0.758	80%	0.799	S	S	*	*			trans	-94.3	125.5	173.8	-169.5	0	0	0	0	108.9	F909	V907-F909 HydrophobicContact CG1-CD2 4.13Å; V907-F909 HydrophobicContact CG1-CE2 4.03Å
908	S	27.3	Very low	28.4	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	79%	0.789	S	S	*	*			trans	-128.5	136.4	173.3	-56.7	0	0	0	0	109.1
909	F	31.6	Very low	28.8	Very low	195 Å²	195	136.3 Å²	136.3	86%	0.855	79%	0.788	S	S	*	*			trans	-119.1	133.7	174.1	-91	-86.5	0	0	0	109.1	V907	V907-F909 HydrophobicContact CG1-CD2 4.13Å; V907-F909 HydrophobicContact CG1-CE2 4.03Å
910	E	30.2	Very low	28.8	Very low	196 Å²	196	137.8 Å²	137.8	92%	0.916	78%	0.784	S	S	*	*			trans	-108.4	161.2	175.2	-70	-166.5	121.3	0	0	112.2
911	N	27.5	Very low	29	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	78%	0.782	S	S	*	*			trans	-86.8	140.9	-170.4	-88.3	-44.4	0	0	0	114.8
912	S	28.5	Very low	29	Very low	117 Å²	117	139.4 Å²	139.4	82%	0.818	79%	0.787	S	S	*	*			trans	-177.4	143.2	148	-84.1	0	0	0	0	108.1
913	T	31.8	Very low	29.5	Very low	140 Å²	140	139 Å²	139	86%	0.859	79%	0.786	S	S	*	*			cis	-137.7	-177.2	19.8	48.3	0	0	0	0	113.4
914	Q	27.3	Very low	29.6	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	79%	0.787	S	S	*	*			trans	-88	149.6	-172.5	-56.5	161.7	-10.4	0	0	115.1
915	S	31.1	Very low	29.9	Very low	124 Å²	124	139 Å²	139	87%	0.867	79%	0.792	S	S	*	*			trans	-167.5	152.9	131.7	47.2	0	0	0	0	113.9
916	S	28.1	Very low	30	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	79%	0.79	S	S	*	*			trans	-75	169	-177.5	47.4	0	0	0	0	113.3
917	V	31.4	Very low	30	Very low	126 Å²	126	141.9 Å²	141.9	76%	0.764	79%	0.791	S	S	*	*				-159.1	148.1	52.3	170.8	0	0	0	0	114
918	S	29.3	Very low	30	Very low	94 Å²	94	141.6 Å²	141.6	66%	0.657	79%	0.79	S	S	*	*			trans	-8.4	141.9	161	-46.9	0	0	0	0	124.9
919	K	31.4	Very low	30.1	Very low	177 Å²	177	141.6 Å²	141.6	77%	0.77	79%	0.785	S	S	*	*				49.6	158.1	120.9	-58.8	176.8	146.7	-142.7	0	121.2
920	E	26.8	Very low	30	Very low	144 Å²	144	141.1 Å²	141.1	67%	0.673	79%	0.785	S	S	*	*			cis	-151.2	-158.6	12.9	-146	141.8	-131.2	0	0	113.3
921	L	29.9	Very low	30	Very low	157 Å²	157	135.9 Å²	135.9	82%	0.822	78%	0.784	S	S	*	*			trans	-80	-178	-175	-59.9	73.4	0	0	0	113.1
922	S	29.1	Very low	30.2	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	78%	0.782	S	S	*	*			cis	-162.9	166.3	15.3	50.3	0	0	0	0	112.8
923	P	40.6	Very low	30.3	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	78%	0.783	S	S	*	*			trans	-114.4	156.5	-176.8	40.8	-31.9	0	0	0	117.4
924	V	30.4	Very low	30.3	Very low	126 Å²	126	138.6 Å²	138.6	76%	0.764	79%	0.785	S	S	*	*			trans	-172.2	162.6	166	-83	0	0	0	0	108.1
925	D	31.6	Very low	30.5	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	79%	0.786	S	S	*	*			cis	-162.9	127.2	-22.5	-90	-17.2	0	0	0	107.2
926	E	29.7	Very low	30.4	Very low	174 Å²	174	134.6 Å²	134.6	81%	0.813	78%	0.784	S	S	*	*				90.7	158	102.7	-140	-154.2	-173.3	0	0	117.2
927	M	27.6	Very low	30.2	Very low	147 Å²	147	135 Å²	135	72%	0.724	79%	0.786	S	S	*	*			trans	73.9	112.4	166.8	-66.6	-162.8	78.7	0	0	118.8
928	V	28.4	Very low	30.1	Very low	120 Å²	120	134.8 Å²	134.8	73%	0.727	79%	0.789	S	S	*	*				103.4	137	77.4	141.8	0	0	0	0	112.3
929	V	30.2	Very low	29.9	Very low	107 Å²	107	136 Å²	136	65%	0.648	80%	0.798	S	S	*	*			cis	-168.2	169.2	-12.4	79.3	0	0	0	0	112
930	Q	29.5	Very low	29.8	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	80%	0.802	S	S	*	*			trans	68.6	123	159.5	-76	167.5	23.6	0	0	122.7
931	G	30.1	Very low	29.7	Very low	86 Å²	86	137.4 Å²	137.4	89%	0.887	81%	0.811	S	S	*	*				130.2	119.5	109.1	0	0	0	0	0	120.1
932	G	31.6	Very low	29.6	Very low	80 Å²	80	135 Å²	135	83%	0.825	80%	0.802	S	S	*	*			trans	130.6	93.7	149.3	0	0	0	0	0	119
933	N	31.2	Very low	29.4	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	80%	0.799	S	S	*	*			trans	-62.1	149	175.1	-62	-12.4	0	0	0	114.8
934	R	31.9	Very low	28.8	Very low	238 Å²	238	138 Å²	138	90%	0.898	80%	0.799	S	S	*	*				-176	110.4	108.4	-99.5	171.8	-172.2	-148.9	2	116.2
935	V	29.7	Very low	28.7	Very low	147 Å²	147	141.3 Å²	141.3	89%	0.891	80%	0.798	S	S	*	*			trans	32.5	115	137	-169.5	0	0	0	0	119.7
936	G	29.3	Very low	28.6	Very low	79 Å²	79	142 Å²	142	81%	0.814	80%	0.797	S	S	*	*			trans	-157.9	134	153.3	0	0	0	0	0	109
937	C	24.6	Very low	28.7	Very low	120 Å²	120	138.9 Å²	138.9	81%	0.811	79%	0.792	S	S	*	*			trans	-117	130.3	-170.7	-177.8	0	0	0	0	112.2
938	S	28.8	Very low	28.8	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	80%	0.797	S	S	*	*			trans	-158	152	156.7	-77.6	0	0	0	0	108.9
939	S	26	Very low	28.8	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	80%	0.799	S	S	*	*			trans	-92.7	128.1	-172.9	-50.9	0	0	0	0	111.5
940	E	28.3	Very low	28.8	Very low	180 Å²	180	146.3 Å²	146.3	84%	0.841	80%	0.803	S	S	*	*			trans	-142.3	147	169.9	-116.9	170	-166.9	0	0	111
941	I	25.5	Very low	28.7	Very low	170 Å²	170	146.2 Å²	146.2	87%	0.872	80%	0.802	S	S	*	*			trans	-95.1	113.2	176	-64.2	170	0	0	0	106.9
942	V	27.6	Very low	28.9	Very low	105 Å²	105	147.5 Å²	147.5	64%	0.636	80%	0.795	S	S	*	*			trans	-132.2	115.8	174.5	-177.4	0	0	0	0	110	F944	V942-F944 HydrophobicContact CG1-CD2 3.94Å; V942-F944 HydrophobicContact CG1-CE2 4.38Å
943	V	25.9	Very low	28.7	Very low	115 Å²	115	150.5 Å²	150.5	70%	0.697	80%	0.797	S	S	*	*			trans	-78.4	133.9	169	173	0	0	0	0	108.9
944	F	28.1	Very low	28.5	Very low	177 Å²	177	149.1 Å²	149.1	78%	0.776	79%	0.794	S	S	*	*			trans	-150.1	148.9	155.6	-101.2	-69.7	0	0	0	115.1	V942	V942-F944 HydrophobicContact CG1-CD2 3.94Å; V942-F944 HydrophobicContact CG1-CE2 4.38Å
945	R	27.4	Very low	28.3	Very low	197 Å²	197	144.7 Å²	144.7	74%	0.743	79%	0.794	S	S	*	*			trans	-45	166.7	167.8	-74.3	167.4	146.3	98.2	1.5	115.1
946	E	29.1	Very low	28.2	Very low	156 Å²	156	143 Å²	143	73%	0.729	79%	0.789	S	S	*	*			cis	-156.8	177.5	7.2	-122.9	153.5	-148.7	0	0	110.4
947	P	32.8	Very low	28.2	Very low	108 Å²	108	145.4 Å²	145.4	70%	0.701	79%	0.793	S	S	*	*			trans	-110.4	159.7	-165	40.5	-34.3	0	0	0	117.2
948	R	28.5	Very low	28.5	Very low	224 Å²	224	145.3 Å²	145.3	85%	0.845	79%	0.794	S	S	*	*			trans	176.6	131.2	137.5	-97.7	160.1	-172.6	-167.1	2	111.1
949	Q	29.8	Very low	28.7	Very low	164 Å²	164	145.4 Å²	145.4	77%	0.766	79%	0.794	S	S	*	*				55.3	122.9	100.3	-85.1	-179.5	3.1	0	0	113.7
950	I	29.1	Very low	28.9	Very low	141 Å²	141	144.6 Å²	144.6	72%	0.723	79%	0.788	S	S	*	*			cis	-160.7	139.2	41.4	-94.6	135.7	0	0	0	113.5
951	Q	28.6	Very low	29.1	Very low	182 Å²	182	146.5 Å²	146.5	85%	0.85	79%	0.794	S	S	*	*			trans	51.2	162	149.4	-66.4	-161.8	22.1	0	0	123.5
952	P	34.1	Very low	29.2	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	79%	0.788	S	S	*	*			trans	-116	156.6	-152.6	41.4	-32.5	0	0	0	117.2
953	V	27.2	Very low	29.3	Very low	143 Å²	143	142.6 Å²	142.6	87%	0.867	80%	0.797	S	S	*	*			trans	-138.7	146.7	155.8	176.3	0	0	0	0	109.8
954	V	26.3	Very low	29.6	Very low	132 Å²	132	148.9 Å²	148.9	80%	0.8	81%	0.81	S	S	*	*			trans	-84.8	131.7	-179.4	178.9	0	0	0	0	111.5
955	T	27.7	Very low	29.6	Very low	145 Å²	145	143.9 Å²	143.9	89%	0.89	81%	0.808	S	S	*	*			trans	-166.9	155.9	138.6	9.2	0	0	0	0	111.6
956	S	27.1	Very low	29.8	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	82%	0.815	S	S	*	*			trans	-113.3	139.1	-174	55.6	0	0	0	0	112.5
957	S	30.7	Very low	29.7	Very low	129 Å²	129	146.7 Å²	146.7	90%	0.902	82%	0.819	S	S	*	*			trans	-166.1	153.5	140.5	54.5	0	0	0	0	112.4
958	S	30.8	Very low	29.5	Very low	118 Å²	118	147.3 Å²	147.3	83%	0.825	82%	0.821	S	S	*	*			trans	-106.6	152	-174.2	54.6	0	0	0	0	112.9
959	S	33.3	Very low	29.6	Very low	122 Å²	122	141 Å²	141	85%	0.853	81%	0.81	S	S	*	*			trans	-156.9	155.4	143.4	58.2	0	0	0	0	111
960	S	29.1	Very low	29.6	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	82%	0.815	S	S	*	*			trans	-150	124.2	-162.9	56.8	0	0	0	0	113.7
961	F	31.6	Very low	29.5	Very low	221 Å²	221	139.5 Å²	139.5	97%	0.969	82%	0.817	S	S	*	*			trans	-155.9	150.4	163.7	-74.7	-78.4	0	0	0	107.7
962	G	29.4	Very low	29.8	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	82%	0.822	S	S	*	*			cis	-177.6	148.8	-4.8	0	0	0	0	0	109.5
963	C	27.9	Very low	29.7	Very low	120 Å²	120	144.4 Å²	144.4	81%	0.811	83%	0.83	S	S	*	*			trans	-75.4	155.4	-169.8	-58.4	0	0	0	0	114.4
964	Y	32.4	Very low	29.8	Very low	247 Å²	247	140.9 Å²	140.9	97%	0.969	82%	0.823	S	S	*	*			trans	-162.8	152.1	131.1	-85.8	-59.7	0	0	0	110.2
965	G	27.9	Very low	30.1	Very low	72 Å²	72	142.9 Å²	142.9	74%	0.742	83%	0.828	S	S	*	*			trans	-163	175.7	179.8	0	0	0	0	0	113.5
966	R	31.6	Very low	30	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.898	82%	0.82	S	S	*	*			trans	-160.3	120.3	173.6	-115.9	178	-178	-176.5	0.5	114.3
967	E	27.7	Very low	30.1	Very low	174 Å²	174	145.4 Å²	145.4	81%	0.813	82%	0.821	S	S	*	*				2.8	151.1	129.5	-61.2	-171.7	127.2	0	0	118.8
968	V	28.9	Very low	30	Very low	121 Å²	121	145 Å²	145	73%	0.733	81%	0.808	S	S	*	*			cis	-168.3	153.5	8.4	113.5	0	0	0	0	107.8
969	C	31	Very low	30.1	Very low	92 Å²	92	146.3 Å²	146.3	62%	0.622	80%	0.804	S	S	*	*				177.4	124.7	79.4	-155.7	0	0	0	0	115.3
970	K	29.1	Very low	30.1	Very low	200 Å²	200	145.6 Å²	145.6	87%	0.87	80%	0.796	S	S	*	*			trans	44.5	122.4	141.5	-59.1	175.5	-169.7	175.5	0	122.9
971	G	28.1	Very low	30.1	Very low	74 Å²	74	145.4 Å²	145.4	76%	0.763	80%	0.795	S	S	*	*			trans	-169.4	113.3	152.9	0	0	0	0	0	113.4
972	Q	33.7	Very low	30.3	Very low	203 Å²	203	142.7 Å²	142.7	95%	0.949	79%	0.79	S	S	*	*			trans	62.1	157.6	177.4	-65.3	-178.6	-15.2	0	0	118.1
973	Q	31.9	Very low	30.4	Very low	195 Å²	195	142.6 Å²	142.6	91%	0.911	79%	0.789	S	S	*	*			trans	-146.6	155.3	-170.3	-59.7	171	-6.8	0	0	107.5
974	G	30.1	Very low	30.6	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	79%	0.789	S	S	*	*			cis	-177.9	-178.4	0.1	0	0	0	0	0	108.1
975	L	31.8	Very low	30.4	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	78%	0.78	S	S	*	*			cis	-139.3	151.7	6.1	-73.8	170.7	0	0	0	110.6
976	H	26.9	Very low	30.6	Very low	157 Å²	157	139.8 Å²	139.8	73%	0.727	78%	0.784	S	S	*	*			trans	-90	160.1	-176.9	-120	-80.7	0	0	0	113.1	I978	H976-I978 WeakPolarHBondContact ND1-CG1 3.43Å
977	L	27.6	Very low	30.5	Very low	153 Å²	153	135.9 Å²	135.9	80%	0.801	78%	0.78	S	S	*	*			trans	-128.5	104.5	144.9	-157.3	82	0	0	0	108.9	I979	L977-I979 HydrophobicContact CD2-CD1 4.42Å
978	I	29	Very low	30.9	Very low	122 Å²	122	133.2 Å²	133.2	63%	0.626	78%	0.778	S	S	*	*			trans	-101.2	133.7	162.3	-79.9	157.9	0	0	0	106.8	H976	H976-I978 WeakPolarHBondContact ND1-CG1 3.43Å
979	I	34.2	Very low	30.9	Very low	145 Å²	145	133.1 Å²	133.1	74%	0.744	78%	0.783	S	S	*	*			trans	-119.2	117	160.6	-58.5	176.9	0	0	0	105.4	L977	L977-I979 HydrophobicContact CD2-CD1 4.42Å
980	P	31.5	Very low	31	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	79%	0.791	S	S	*	*			trans	-80.7	142.2	176.6	33.2	-33.2	0	0	0	110.8
981	S	30.5	Very low	31.1	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	79%	0.79	S	S	*	*			trans	-65.3	159.1	154	-40.3	0	0	0	0	108.8
982	D	34.4	Very low	31.4	Very low	163 Å²	163	134 Å²	134	87%	0.872	78%	0.784	S	S	*	*			cis	-145.7	170.5	31.7	-80.4	-56.6	0	0	0	113
983	G	31.6	Very low	31.2	Very low	70 Å²	70	131.4 Å²	131.4	72%	0.722	78%	0.775	S	S	*	*				106.3	104.6	121	0	0	0	0	0	119.5
984	S	32.1	Very low	31.2	Very low	114 Å²	114	127 Å²	127	80%	0.797	77%	0.766	S	S	*	*			trans	93.8	124	148.1	-155.1	0	0	0	0	119.2
985	V	28.4	Very low	31.3	Very low	130 Å²	130	130.3 Å²	130.3	79%	0.788	77%	0.773	S	S	*	*			trans	-127.9	123.8	168	172.8	0	0	0	0	108
986	V	31.9	Very low	31.3	Very low	137 Å²	137	126.4 Å²	126.4	83%	0.83	77%	0.765	S	S	*	*			trans	-130.8	143	165.4	-178.4	0	0	0	0	108.2
987	L	31	Very low	31.7	Very low	155 Å²	155	125.4 Å²	125.4	81%	0.812	77%	0.77	S	S	*	*			trans	-91.3	165.7	-166.4	-78.1	165.1	0	0	0	113.9
988	P	35	Very low	32.1	Very low	118 Å²	118	126.4 Å²	126.4	77%	0.766	77%	0.77	S	S	*	*			trans	-112	158.8	-155.6	40.9	-35.4	0	0	0	117.2
989	S	28.6	Very low	32.2	Very low	120 Å²	120	125.6 Å²	125.6	84%	0.839	78%	0.776	S	S	*	*			trans	-171.5	151.4	158.4	49.9	0	0	0	0	108.3
990	S	32.8	Very low	32.4	Very low	113 Å²	113	124 Å²	124	79%	0.79	78%	0.775	S	S	*	*			cis	-156.2	159.9	-2.2	49.3	0	0	0	0	112.8
991	M	31.4	Very low	32.6	Very low	172 Å²	172	124.2 Å²	124.2	85%	0.847	78%	0.779	S	S	*	*			trans	-28.8	169.3	155.2	-72.9	-68.7	-178.6	0	0	118.2
992	P	35.8	Very low	32.9	Very low	100 Å²	100	123.5 Å²	123.5	65%	0.649	78%	0.779	S	S	*	*			cis	-147.4	-159.8	-22.7	37.8	-15.1	0	0	0	115.7
993	I	29.5	Very low	33	Very low	148 Å²	148	121.1 Å²	121.1	76%	0.759	78%	0.775	S	S	*	*			trans	93.4	123.4	143.7	-84.5	172	0	0	0	121.9
994	S	30.5	Very low	33.2	Very low	102 Å²	102	123.5 Å²	123.5	71%	0.713	78%	0.78	S	S	*	*			trans	64.2	153.8	150.1	-71.1	0	0	0	0	121.4
995	T	32	Very low	33.4	Very low	139 Å²	139	121.9 Å²	121.9	85%	0.853	78%	0.782	S	S	*	*			cis	-148.9	171.3	0.2	-5.3	0	0	0	0	113.4
996	A	31.8	Very low	33.7	Very low	91 Å²	91	121.4 Å²	121.4	75%	0.752	78%	0.784	S	S	*	*			trans	-66	168.1	-173.9	0	0	0	0	0	118.6
997	V	35.7	Very low	33.9	Very low	135 Å²	135	119.3 Å²	119.3	82%	0.818	78%	0.776	S	S	*	*			trans	159.3	134.5	135.6	154.6	0	0	0	0	108.3
998	Q	35.7	Very low	34.1	Very low	174 Å²	174	122.2 Å²	122.2	81%	0.813	78%	0.777	S	S	*	*			cis	-143.1	-149.9	5.4	-141.4	172.1	-2.5	0	0	113
999	S	31.7	Very low	33.8	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	77%	0.772	S	S	*	*			trans	-158.9	-170.1	179.2	-55.5	0	0	0	0	107.2
1000	P	38	Very low	34	Very low	112 Å²	112	125.5 Å²	125.5	73%	0.727	77%	0.771	S	S	*	*			cis	-148.7	-176.9	12.6	41.2	-18.3	0	0	0	119.5
1001	S	35.4	Very low	33.7	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	77%	0.77	S	S	*	*			trans	68.6	148.3	146.7	53.6	0	0	0	0	121.8
1002	A	37.7	Very low	34	Very low	84 Å²	84	121.9 Å²	121.9	69%	0.694	76%	0.76	S	S	*	*			cis	-170.9	176.7	-14.3	0	0	0	0	0	112.9
1003	S	36.9	Very low	33.6	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	77%	0.768	S	S	*	*			trans	77.3	141.7	162.7	73.6	0	0	0	0	119.1
1004	S	36.4	Very low	33.6	Very low	120 Å²	120	127 Å²	127	84%	0.839	77%	0.767	S	S	*	*			cis	-164.5	140.6	-10.7	-100.2	0	0	0	0	114
1005	G	35.3	Very low	33.4	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	77%	0.771	S	S	*	*			trans	77.2	146.2	153.5	0	0	0	0	0	119
1006	S	35.5	Very low	33.2	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	77%	0.769	S	S	*	*			cis	-158.6	170	-11.4	57	0	0	0	0	111.9
1007	S	34.9	Very low	33	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	77%	0.767	S	S	*	*			trans	-65	178.8	175.8	52.2	0	0	0	0	113.4
1008	Y	35.5	Very low	32.8	Very low	215 Å²	215	128.9 Å²	128.9	84%	0.843	76%	0.763	S	S	*	*			cis	-168.9	176.1	33	46.2	-94.3	0	0	0	111.7
1009	D	29.3	Very low	32.5	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	76%	0.763	S	S	*	*			cis	-172.5	166.9	-43.2	-157.2	-6.7	0	0	0	110.2
1010	F	31.7	Very low	32.5	Very low	184 Å²	184	129.1 Å²	129.1	81%	0.807	76%	0.762	S	S	*	*			trans	65.6	152.5	168.8	-71.2	-76.8	0	0	0	122.5
1011	S	27.9	Very low	32.1	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	77%	0.765	S	S	*	*			trans	-124	-165.2	-179.3	-28	0	0	0	0	109.8
1012	P	35.8	Very low	32.4	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	76%	0.759	S	S	*	*			cis	-136.7	-172.9	-21.7	29.3	-6	0	0	0	114.6
1013	R	28.4	Very low	32.6	Very low	216 Å²	216	130.9 Å²	130.9	82%	0.815	75%	0.754	S	S	*	*			trans	74.7	125	163	-32	-179.7	-158.1	-163.7	3.8	116.6
1014	N	28.8	Very low	33.3	Very low	139 Å²	139	127.5 Å²	127.5	74%	0.743	73%	0.729	S	S	*	*				-174.6	156.6	59.2	-89.8	-54.5	0	0	0	112.6
1015	F	27.3	Very low	34.1	Very low	179 Å²	179	125.6 Å²	125.6	79%	0.785	71%	0.712	S	S	*	*			trans	64.4	139	152.2	-95.9	-103.8	0	0	0	122.7
1016	D	27.9	Very low	35	Very low	152 Å²	152	124 Å²	124	81%	0.813	69%	0.686	S	S	*	*			trans	48.6	135.8	160.3	-64.5	-18.5	0	0	0	122
1017	G	27.1	Very low	35.9	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	68%	0.679	S	S	*	*			trans	143	110.2	159.2	0	0	0	0	0	116.1
1018	S	32	Very low	36.9	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	68%	0.675	S	S	*	*			trans	12.1	135.6	148.3	53.8	0	0	0	0	121.9
1019	N	28.5	Very low	37.9	Very low	150 Å²	150	117.5 Å²	117.5	80%	0.802	66%	0.658	S	S	*	*			trans	41	125.4	138.2	-54.2	0.7	0	0	0	119.9
1020	D	32.2	Very low	39.6	Very low	134 Å²	134	115 Å²	115	72%	0.717	64%	0.641	S	S	*	*				-158.3	134.8	110.9	-127.7	6.6	0	0	0	113.3
1021	S	29.9	Very low	41.5	Very low	113 Å²	113	111.1 Å²	111.1	79%	0.79	64%	0.637	S	S	*	*			trans	-98.7	86.3	173.2	55.3	0	0	0	0	109.5	P1023	S1021-P1023 WeakPolarHBondContact O-CD 3.31Å
1022	Q	40.4	Very low	44.1	Very low	141 Å²	141	109.5 Å²	109.5	66%	0.659	62%	0.624	S	S	*	*			trans	-68.9	120.2	178.3	-71.5	-82.2	-52	0	0	110.6
1023	P	43.3	Very low	46.6	Very low	91 Å²	91	105.1 Å²	105.1	59%	0.591	60%	0.595	S	S	*	*			trans	-72.7	170.4	175.6	31.8	-35.6	0	0	0	111.6	S1021 T1025	S1021-P1023 WeakPolarHBondContact O-CD 3.31Å; P1023-T1025 PolarHBondContact O-N 2.71Å
1024	V	52.2	Low	49.5	Very low	41 Å²	41	98.8 Å²	98.8	25%	0.248	58%	0.576	C	S	.	*			trans	-61.8	110.4	179.5	175.4	0	0	0	0	110.6	V1026 I1124	V1024-V1026 PolarHBondContact O-N 3.39Å; V1024-I1124 HydrophobicContact CG1-CD1 4.34Å; V1024-I1124 HydrophobicContact CG1-CG1 4.28Å
1025	T	51.5	Low	52.5	Low	81 Å²	81	92.2 Å²	92.2	50%	0.497	54%	0.541	S	S	.	.			trans	-74.6	93.4	-178.1	6.1	0	0	0	0	110.2	P1023 V1027	P1023-T1025 PolarHBondContact O-N 2.71Å; T1025-V1027 PolarHBondContact O-N 3.44Å
1026	V	55.5	Low	55.3	Low	46 Å²	46	88.8 Å²	88.8	28%	0.279	53%	0.527	S	S	.	.			trans	-74.7	113.1	171.4	177	0	0	0	0	108.8	V1024 N1028 T1086 A1117	V1024-V1026 PolarHBondContact O-N 3.39Å; V1026-N1028 WeakPolarHBondContact CG1-O 3.46Å; V1026-T1086 HydrophobicContact CG2-CG2 4.32Å; V1026-A1117 HydrophobicContact CG1-CB 3.48Å; V1026-A1117 VanDerWaalsContact CG1-CB 3.48Å
1027	V	53.5	Low	58.1	Low	112 Å²	112	86.8 Å²	86.8	68%	0.679	51%	0.509	S	S	*	.	S	Bend	trans	-79.5	-23.9	-171.7	-174.7	0	0	0	0	112.3	T1025 Q1121	T1025-V1027 PolarHBondContact O-N 3.44Å; V1027-Q1121 PolarHBondContact N-O 3.02Å
1028	N	56.1	Low	60.7	Low	107 Å²	107	85.7 Å²	85.7	57%	0.572	50%	0.497	S	S	*	.			trans	-148.4	126.4	169.9	-100.8	-27.6	0	0	0	110.5	V1026 A1117	V1026-N1028 WeakPolarHBondContact CG1-O 3.46Å; N1028-A1117 WeakPolarHBondContact O-CB 3.03Å
1029	C	55.9	Low	62.8	Low	73 Å²	73	87.1 Å²	87.1	49%	0.493	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-93.5	135.9	165.1	-73.9	0	0	0	0	109.2
1030	K	64.6	Low	64.8	Low	72 Å²	72	85.6 Å²	85.6	31%	0.313	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-65.9	155.9	166.1	-58.6	-174	-161.4	168.9	0	109.7	D1083 V1116	K1030-D1083 WeakPolarHBondContact CE-OD1 3.46Å; K1030-D1083 IonicContact NZ-OD1 2.83Å; K1030-D1083 PolarHBondContact NZ-OD1 3.01Å; K1030-D1083 IonicContact NZ-OD2 2.8Å; K1030-D1083 PolarHBondContact NZ-OD2 2.87Å; K1030-V1116 HydrophobicContact CB-CG2 4.34Å; K1030-V1116 HydrophobicContact CD-CG2 3.85Å; K1030-V1116 HydrophobicContact CG-CG2 4.32Å; K1030-V1116 PolarHBondContact N-O 3.05Å
1031	S	72	Confident	67.3	Low	102 Å²	102	80.7 Å²	80.7	71%	0.713	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-49.5	144.9	165.5	-57.1	0	0	0	0	110.4	I1033	S1031-I1033 PolarHBondContact O-N 3.39Å; S1031-I1033 VanDerWaalsContact O-N 3.16Å
1032	P	83.2	Confident	70.1	Confident	75 Å²	75	76.5 Å²	76.5	49%	0.487	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.9	122.5	-178	24	-33.4	0	0	0	110.8	T1113 L1114 K1115	P1032-T1113 HydrophobicContact CB-CG2 3.96Å; P1032-L1114 CarbonylContact C-O 3.54Å; P1032-L1114 WeakPolarHBondContact CA-O 3.48Å; P1032-K1115 HydrophobicContact CB-CG 4.43Å
1033	I	89.1	Confident	72.4	Confident	9 Å²	9	70.3 Å²	70.3	5%	0.046	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.5	-179.7	-62	178.6	0	0	0	107.5	S1031 I1035 N1077 L1079 T1113 L1114 V1116	S1031-I1033 PolarHBondContact O-N 3.39Å; S1031-I1033 VanDerWaalsContact O-N 3.16Å; I1033-I1035 HydrophobicContact CG2-CD1 4.14Å; I1033-I1035 HydrophobicContact CG2-CG1 3.8Å; I1033-N1077 HydrophobicContact CG2-CB 3.89Å; I1033-N1077 WeakPolarHBondContact CG2-O 3.41Å; I1033-L1079 HydrophobicContact CD1-CB 4.32Å; I1033-L1079 HydrophobicContact CD1-CD1 3.99Å; I1033-T1113 CarbonylContact O-C 3.59Å; I1033-T1113 WeakPolarHBondContact O-CA 3.44Å; I1033-L1114 HydrophobicContact CB-CB 4.47Å; I1033-L1114 PolarHBondContact N-O 3.08Å; I1033-L1114 PolarHBondContact O-N 2.71Å; I1033-V1116 HydrophobicContact CD1-CG2 3.63Å
1034	I	89.3	Confident	74.8	Confident	83 Å²	83	67.5 Å²	67.5	43%	0.426	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.3	175.2	-57.9	175.6	0	0	0	107.8	N1077 W1111 L1112 T1113	I1034-N1077 WeakPolarHBondContact O-CB 3.38Å; I1034-N1077 PolarHBondContact O-OD1 2.94Å; I1034-W1111 HydrophobicContact CG2-CE3 3.8Å; I1034-W1111 HydrophobicContact CG2-CZ3 4.25Å; I1034-L1112 CarbonylContact C-O 3.53Å; I1034-L1112 WeakPolarHBondContact CA-O 3.29Å; I1034-T1113 HydrophobicContact CG1-CG2 4.46Å
1035	I	90.1	Very high	76.6	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.3	-178	-49.1	175.5	0	0	0	108.2	I1033 F1042 F1044 A1073 A1074 L1079 L1112 L1114	I1033-I1035 HydrophobicContact CG2-CD1 4.14Å; I1033-I1035 HydrophobicContact CG2-CG1 3.8Å; I1035-F1042 HydrophobicContact CB-CD1 4.33Å; I1035-F1042 HydrophobicContact CG2-CB 4.23Å; I1035-F1042 HydrophobicContact CG2-CD1 4.02Å; I1035-F1044 HydrophobicContact CD1-CD1 4.14Å; I1035-F1044 HydrophobicContact CD1-CE1 3.84Å; I1035-A1073 HydrophobicContact CG2-CB 4.17Å; I1035-A1074 HydrophobicContact CD1-CB 3.92Å; I1035-A1074 HydrophobicContact CG2-CB 4.23Å; I1035-L1079 HydrophobicContact CD1-CD2 4.25Å; I1035-L1112 HydrophobicContact CB-CB 4.5Å; I1035-L1112 HydrophobicContact CD1-CD2 4.47Å; I1035-L1112 PolarHBondContact N-O 2.95Å; I1035-L1112 PolarHBondContact O-N 3.37Å; I1035-L1114 HydrophobicContact CD1-CD1 3.74Å; I1035-L1114 HydrophobicContact CD1-CG 4.42Å
1036	Q	87.4	Confident	78.5	Confident	107 Å²	107	65.5 Å²	65.5	50%	0.5	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.8	171.6	-165.8	177.4	4.8	0	0	110.2	G1038 D1110 W1111	Q1036-G1038 PolarHBondContact O-N 3.27Å; Q1036-D1110 CarbonylContact C-O 3.59Å; Q1036-D1110 WeakPolarHBondContact CA-O 3.41Å; Q1036-W1111 HydrophobicContact CB-CE3 4.23Å; Q1036-W1111 HydrophobicContact CB-CH2 4.47Å; Q1036-W1111 HydrophobicContact CB-CZ3 4.05Å; Q1036-W1111 HydrophobicContact CG-CE3 4.4Å; Q1036-W1111 HydrophobicContact CG-CH2 4.24Å; Q1036-W1111 HydrophobicContact CG-CZ2 4.39Å; Q1036-W1111 HydrophobicContact CG-CZ3 4.24Å
1037	R	86	Confident	80.2	Confident	111 Å²	111	69.3 Å²	69.3	42%	0.419	40%	0.397	S	S	.	.			trans	-71.1	122.7	179.4	-164	169	178.4	147.3	-6.3	110.3	F1042 I1106 S1108 G1109 D1110	R1037-F1042 HydrophobicContact CB-CD1 4.17Å; R1037-F1042 HydrophobicContact CB-CE1 3.64Å; R1037-F1042 HydrophobicContact CB-CZ 4.01Å; R1037-F1042 HydrophobicContact CG-CE1 4.12Å; R1037-F1042 HydrophobicContact CG-CE2 4.46Å; R1037-F1042 HydrophobicContact CG-CZ 4.09Å; R1037-I1106 PolarHBondContact NH1-O 3.22Å; R1037-S1108 PolarHBondContact NH1-O 2.93Å; R1037-G1109 WeakPolarHBondContact CD-O 3.33Å; R1037-D1110 PolarHBondContact N-O 3.01Å
1038	G	81.8	Confident	82	Confident	45 Å²	45	65.5 Å²	65.5	46%	0.464	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-110	-173.5	177.7	0	0	0	0	0	113.3	Q1036 K1040 G1041	Q1036-G1038 PolarHBondContact O-N 3.27Å; G1038-K1040 PolarHBondContact O-N 3.32Å; G1038-K1040 VanDerWaalsContact O-N 3.09Å; G1038-G1041 PolarHBondContact N-O 2.81Å; G1038-G1041 WeakPolarHBondContact O-CA 3.42Å; G1038-G1041 PolarHBondContact O-N 3.28Å
1039	S	76.6	Confident	83.6	Confident	137 Å²	137	62.2 Å²	62.2	96%	0.958	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.4	177.8	55	0	0	0	0	114.8
1040	K	71.2	Confident	85.2	Confident	117 Å²	117	65.8 Å²	65.8	51%	0.509	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	24.5	170.9	-62.7	177.8	175.2	177.3	0	112.3	G1038 D1069 T1071 T1072	G1038-K1040 PolarHBondContact O-N 3.32Å; G1038-K1040 VanDerWaalsContact O-N 3.09Å; K1040-D1069 WeakPolarHBondContact CD-OD2 3.47Å; K1040-D1069 IonicContact NZ-OD1 2.7Å; K1040-D1069 IonicContact NZ-OD2 2.95Å; K1040-D1069 PolarHBondContact NZ-OD2 3.21Å; K1040-T1071 PolarHBondContact NZ-OG1 2.86Å; K1040-T1072 HydrophobicContact CB-CG2 4.46Å; K1040-T1072 HydrophobicContact CD-CG2 4.02Å
1041	G	84.1	Confident	86.3	Confident	31 Å²	31	63.5 Å²	63.5	32%	0.32	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	64.4	-140.3	-166.9	0	0	0	0	0	111.1	G1038	G1038-G1041 PolarHBondContact N-O 2.81Å; G1038-G1041 WeakPolarHBondContact O-CA 3.42Å; G1038-G1041 PolarHBondContact O-N 3.28Å
1042	F	88.5	Confident	87	Confident	25 Å²	25	64.4 Å²	64.4	11%	0.11	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.1	179.3	-61	-71.2	0	0	0	114.6	I1035 R1037 F1044 A1074 L1105 G1109 L1112	I1035-F1042 HydrophobicContact CB-CD1 4.33Å; I1035-F1042 HydrophobicContact CG2-CB 4.23Å; I1035-F1042 HydrophobicContact CG2-CD1 4.02Å; R1037-F1042 HydrophobicContact CB-CD1 4.17Å; R1037-F1042 HydrophobicContact CB-CE1 3.64Å; R1037-F1042 HydrophobicContact CB-CZ 4.01Å; R1037-F1042 HydrophobicContact CG-CE1 4.12Å; R1037-F1042 HydrophobicContact CG-CE2 4.46Å; R1037-F1042 HydrophobicContact CG-CZ 4.09Å; F1042-F1044 HydrophobicContact CB-CD1 4.03Å; F1042-F1044 HydrophobicContact CB-CE1 3.7Å; F1042-A1074 VanDerWaalsContact O-CB 3.29Å; F1042-A1074 WeakPolarHBondContact O-CB 3.43Å; F1042-L1105 WeakPolarHBondContact CE2-O 3.39Å; F1042-G1109 WeakPolarHBondContact CZ-O 3.45Å; F1042-L1112 HydrophobicContact CB-CD2 4.15Å; F1042-L1112 HydrophobicContact CD1-CB 3.79Å; F1042-L1112 HydrophobicContact CD1-CD2 3.94Å; F1042-L1112 HydrophobicContact CD2-CD2 3.91Å; F1042-L1112 HydrophobicContact CE1-CB 3.45Å; F1042-L1112 VanDerWaalsContact CE1-CB 3.45Å; F1042-L1112 HydrophobicContact CE1-CD2 4.3Å; F1042-L1112 HydrophobicContact CE2-CB 4.38Å; F1042-L1112 HydrophobicContact CE2-CD2 4.28Å; F1042-L1112 HydrophobicContact CG-CB 4.38Å; F1042-L1112 HydrophobicContact CG-CD2 3.73Å; F1042-L1112 HydrophobicContact CZ-CB 3.78Å; F1042-L1112 HydrophobicContact CZ-CD2 4.46Å
1043	G	88.2	Confident	86.9	Confident	11 Å²	11	66.4 Å²	66.4	11%	0.113	35%	0.347	C	S	.	.	S	Bend	trans	79.5	16.5	169.2	0	0	0	0	0	117.4	D1069 T1072	G1043-D1069 PolarHBondContact O-N 3.44Å; G1043-T1072 PolarHBondContact O-OG1 3.24Å
1044	F	92.8	Very high	86.4	Confident	32 Å²	32	69 Å²	69	14%	0.14	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165	173.6	70.5	-85.8	0	0	0	112	I1035 F1042 I1046 V1065 S1067 V1068 A1074 L1079 I1085 L1105 L1112 L1114	I1035-F1044 HydrophobicContact CD1-CD1 4.14Å; I1035-F1044 HydrophobicContact CD1-CE1 3.84Å; F1042-F1044 HydrophobicContact CB-CD1 4.03Å; F1042-F1044 HydrophobicContact CB-CE1 3.7Å; F1044-I1046 HydrophobicContact CD2-CG2 4.03Å; F1044-I1046 HydrophobicContact CE2-CG2 3.71Å; F1044-V1065 HydrophobicContact CB-CG1 4.44Å; F1044-S1067 CarbonylContact C-O 3.59Å; F1044-S1067 VanDerWaalsContact CA-O 3.31Å; F1044-S1067 WeakPolarHBondContact CA-O 3.23Å; F1044-S1067 WeakPolarHBondContact CB-O 3.49Å; F1044-V1068 HydrophobicContact CB-CB 4.49Å; F1044-V1068 HydrophobicContact CB-CG1 4.37Å; F1044-V1068 HydrophobicContact CB-CG2 4.14Å; F1044-A1074 HydrophobicContact CB-CB 4.38Å; F1044-A1074 HydrophobicContact CD1-CB 4.03Å; F1044-L1079 HydrophobicContact CB-CD2 3.75Å; F1044-L1079 HydrophobicContact CD1-CD2 3.67Å; F1044-L1079 HydrophobicContact CD2-CD2 3.86Å; F1044-L1079 HydrophobicContact CE1-CD2 4.22Å; F1044-L1079 HydrophobicContact CE2-CD2 4.39Å; F1044-L1079 HydrophobicContact CG-CD2 3.47Å; F1044-L1079 VanDerWaalsContact CG-CD2 3.47Å; F1044-I1085 HydrophobicContact CE2-CD1 4.27Å; F1044-L1105 HydrophobicContact CZ-CD2 4.34Å; F1044-L1112 HydrophobicContact CE1-CD2 3.76Å; F1044-L1112 HydrophobicContact CZ-CD2 3.89Å; F1044-L1114 HydrophobicContact CE1-CD1 4.1Å; F1044-L1114 HydrophobicContact CE2-CD1 4.41Å; F1044-L1114 HydrophobicContact CZ-CD1 3.8Å
1045	S	91	Very high	85.8	Confident	59 Å²	59	72 Å²	72	41%	0.413	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.5	178.3	-39.4	0	0	0	0	111.1	V1065 S1066 S1067	S1045-V1065 WeakPolarHBondContact O-CA 3.41Å; S1045-S1066 PolarHBondContact O-N 3.47Å; S1045-S1066 PolarHBondContact O-OG 2.9Å; S1045-S1067 VanDerWaalsContact CB-OG 3.24Å; S1045-S1067 WeakPolarHBondContact CB-OG 3.34Å; S1045-S1067 PolarHBondContact N-O 3.35Å; S1045-S1067 PolarHBondContact OG-OG 2.75Å; S1045-S1067 VanDerWaalsContact OG-OG 3.07Å
1046	I	92	Very high	85.1	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.108	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.8	-175	55.3	165.1	0	0	0	112.1	F1044 I1064 I1085 Q1098 L1101 L1102 L1105	F1044-I1046 HydrophobicContact CD2-CG2 4.03Å; F1044-I1046 HydrophobicContact CE2-CG2 3.71Å; I1046-I1064 WeakPolarHBondContact CA-O 3.4Å; I1046-I1085 HydrophobicContact CG2-CD1 3.64Å; I1046-Q1098 HydrophobicContact CD1-CG 4.39Å; I1046-L1101 HydrophobicContact CD1-CD2 3.54Å; I1046-L1101 HydrophobicContact CD1-CG 3.97Å; I1046-L1102 HydrophobicContact CD1-CD2 4.05Å; I1046-L1102 HydrophobicContact CD1-CG 4.27Å; I1046-L1105 HydrophobicContact CD1-CD1 4.05Å
1047	K	90.9	Very high	84.5	Confident	126 Å²	126	78.7 Å²	78.7	55%	0.548	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.7	171.7	177.7	-179.6	177.4	-177.7	0	109.5	V1049 I1064	K1047-V1049 HydrophobicContact CG-CG1 4.39Å; K1047-I1064 PolarHBondContact N-O 2.75Å; K1047-I1064 PolarHBondContact O-N 3.05Å
1048	S	91.2	Very high	83.8	Confident	32 Å²	32	80.8 Å²	80.8	22%	0.224	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.2	171.9	-48.4	0	0	0	0	110.8	Q1062 H1063 Q1098	S1048-Q1062 CarbonylContact C-O 3.52Å; S1048-Q1062 WeakPolarHBondContact CA-O 3.47Å; S1048-H1063 PolarHBondContact OG-ND1 3.19Å; S1048-Q1098 WeakPolarHBondContact OG-CB 3.18Å; S1048-Q1098 PolarHBondContact OG-OE1 3.47Å
1049	V	88.7	Confident	84.1	Confident	39 Å²	39	83 Å²	83	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.9	-179.4	-65.9	0	0	0	0	110.8	K1047 V1051 I1061 Q1062 I1064	K1047-V1049 HydrophobicContact CG-CG1 4.39Å; V1049-V1051 HydrophobicContact CG2-CG2 4.36Å; V1049-I1061 WeakPolarHBondContact O-CA 3.24Å; V1049-Q1062 HydrophobicContact CG2-CB 4.44Å; V1049-Q1062 WeakPolarHBondContact CG2-O 3.44Å; V1049-Q1062 PolarHBondContact N-O 3.35Å; V1049-Q1062 PolarHBondContact O-N 3.28Å; V1049-I1064 HydrophobicContact CG1-CD1 4.14Å; V1049-I1064 HydrophobicContact CG2-CD1 3.72Å; V1049-I1064 HydrophobicContact CG2-CG1 4.19Å
1050	R	90.8	Very high	84.6	Confident	148 Å²	148	77.1 Å²	77.1	56%	0.558	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.3	170.7	-64	-174.1	178.7	164.9	0.8	109.2	Y1052 Y1059 T1060	R1050-Y1052 HydrophobicContact CB-CE2 4.14Å; R1050-Y1059 HydrophobicContact CB-CD2 3.72Å; R1050-Y1059 HydrophobicContact CB-CE2 4.34Å; R1050-Y1059 HydrophobicContact CB-CG 3.94Å; R1050-Y1059 HydrophobicContact CG-CD2 3.5Å; R1050-Y1059 VanDerWaalsContact CG-CD2 3.5Å; R1050-Y1059 HydrophobicContact CG-CE2 3.6Å; R1050-Y1059 HydrophobicContact CG-CG 4.06Å; R1050-Y1059 PolarHBondContact NE-OH 3.34Å; R1050-T1060 WeakPolarHBondContact CA-O 3.27Å
1051	V	87.8	Confident	85.5	Confident	24 Å²	24	73.5 Å²	73.5	15%	0.145	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	104	175.9	-179.7	0	0	0	0	108	V1049 Y1059 T1060 Q1062 I1124	V1049-V1051 HydrophobicContact CG2-CG2 4.36Å; V1051-Y1059 CarbonylContact O-C 2.94Å; V1051-Y1059 WeakPolarHBondContact O-CA 3.21Å; V1051-Y1059 WeakPolarHBondContact O-CB 3.41Å; V1051-T1060 PolarHBondContact N-O 2.86Å; V1051-T1060 PolarHBondContact O-N 3.06Å; V1051-Q1062 HydrophobicContact CG2-CB 4.25Å; V1051-Q1062 HydrophobicContact CG2-CG 4.26Å; V1051-I1124 HydrophobicContact CG1-CG1 4.21Å; V1051-I1124 HydrophobicContact CG1-CG2 4.14Å; V1051-I1124 HydrophobicContact CG2-CD1 4.28Å; V1051-I1124 HydrophobicContact CG2-CG2 4.24Å
1052	Y	86	Confident	85.8	Confident	121 Å²	121	72.6 Å²	72.6	48%	0.475	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140	-178.3	-66.3	-85.5	0	0	0	111.8	R1050 G1054 F1058 Y1059	R1050-Y1052 HydrophobicContact CB-CE2 4.14Å; Y1052-G1054 PolarHBondContact O-N 2.84Å; Y1052-F1058 CarbonylContact C-O 3.35Å; Y1052-F1058 WeakPolarHBondContact CA-O 3.1Å; Y1052-Y1059 HydrophobicContact CD1-CD1 4.41Å; Y1052-Y1059 AromaticContact CE1-CD1 3.87Å; Y1052-Y1059 HydrophobicContact CE1-CD1 3.87Å; Y1052-Y1059 HydrophobicContact CE1-CG 4.25Å
1053	M	82	Confident	86	Confident	117 Å²	117	71.4 Å²	71.4	58%	0.576	36%	0.362	S	S	*	.			trans	-78.3	89.6	178	-71.4	-172.3	169.3	0	0	110.1	N1055 T1056 F1058 T1060	M1053-N1055 PolarHBondContact O-N 2.73Å; M1053-T1056 WeakPolarHBondContact O-CB 3.05Å; M1053-T1056 PolarHBondContact O-N 3.23Å; M1053-T1056 PolarHBondContact O-OG1 3.38Å; M1053-F1058 PolarHBondContact N-O 3.04Å; M1053-T1060 HydrophobicContact CE-CG2 3.98Å
1054	G	78.7	Confident	86.2	Confident	62 Å²	62	71.8 Å²	71.8	64%	0.639	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-122	-178.6	0	0	0	0	0	111.7	Y1052	Y1052-G1054 PolarHBondContact O-N 2.84Å
1055	N	76.1	Confident	86.3	Confident	148 Å²	148	70.3 Å²	70.3	79%	0.791	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	22.1	177.9	-63.1	0.2	0	0	0	112.4	M1053 F1130	M1053-N1055 PolarHBondContact O-N 2.73Å; N1055-F1130 HydrophobicContact CB-CZ 4.46Å
1056	T	74.2	Confident	86.3	Confident	66 Å²	66	70.3 Å²	70.3	41%	0.405	36%	0.355	S	S	.	.	S	Bend	trans	-102.5	158.9	-178.6	71.9	0	0	0	0	112.1	M1053 F1058	M1053-T1056 WeakPolarHBondContact O-CB 3.05Å; M1053-T1056 PolarHBondContact O-N 3.23Å; M1053-T1056 PolarHBondContact O-OG1 3.38Å; T1056-F1058 PolarHBondContact O-N 3.46Å
1057	E	75.8	Confident	86.4	Confident	181 Å²	181	71.7 Å²	71.7	85%	0.846	37%	0.366	S	S	*	.	S	Bend	trans	-73.1	-12.4	176.2	-60.3	178	157	0	0	112.9
1058	F	72.2	Confident	86.4	Confident	154 Å²	154	66.7 Å²	66.7	68%	0.675	35%	0.346	S	S	*	.			trans	-70.4	131	174.9	-58.6	-70.1	0	0	0	110.3	Y1052 M1053 T1056	Y1052-F1058 CarbonylContact C-O 3.35Å; Y1052-F1058 WeakPolarHBondContact CA-O 3.1Å; M1053-F1058 PolarHBondContact N-O 3.04Å; T1056-F1058 PolarHBondContact O-N 3.46Å
1059	Y	86.7	Confident	86.3	Confident	93 Å²	93	67.6 Å²	67.6	37%	0.365	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.6	178.5	64.8	-91.3	0	0	0	112	R1050 V1051 Y1052 I1061	R1050-Y1059 HydrophobicContact CB-CD2 3.72Å; R1050-Y1059 HydrophobicContact CB-CE2 4.34Å; R1050-Y1059 HydrophobicContact CB-CG 3.94Å; R1050-Y1059 HydrophobicContact CG-CD2 3.5Å; R1050-Y1059 VanDerWaalsContact CG-CD2 3.5Å; R1050-Y1059 HydrophobicContact CG-CE2 3.6Å; R1050-Y1059 HydrophobicContact CG-CG 4.06Å; R1050-Y1059 PolarHBondContact NE-OH 3.34Å; V1051-Y1059 CarbonylContact O-C 2.94Å; V1051-Y1059 WeakPolarHBondContact O-CA 3.21Å; V1051-Y1059 WeakPolarHBondContact O-CB 3.41Å; Y1052-Y1059 HydrophobicContact CD1-CD1 4.41Å; Y1052-Y1059 AromaticContact CE1-CD1 3.87Å; Y1052-Y1059 HydrophobicContact CE1-CD1 3.87Å; Y1052-Y1059 HydrophobicContact CE1-CG 4.25Å; Y1059-I1061 HydrophobicContact CD2-CG1 4.39Å; Y1059-I1061 HydrophobicContact CE2-CG1 4.05Å
1060	T	87.8	Confident	86.3	Confident	13 Å²	13	70.1 Å²	70.1	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	155	162.6	59.3	0	0	0	0	111.1	R1050 V1051 M1053 N1095	R1050-T1060 WeakPolarHBondContact CA-O 3.27Å; V1051-T1060 PolarHBondContact N-O 2.86Å; V1051-T1060 PolarHBondContact O-N 3.06Å; M1053-T1060 HydrophobicContact CE-CG2 3.98Å; T1060-N1095 WeakPolarHBondContact CA-OD1 3.07Å; T1060-N1095 WeakPolarHBondContact CB-OD1 3.04Å
1061	I	89.2	Confident	86.1	Confident	40 Å²	40	67.9 Å²	67.9	21%	0.205	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131	169.3	-55.9	177.7	0	0	0	108.5	V1049 Y1059 N1095 V1096 T1097	V1049-I1061 WeakPolarHBondContact O-CA 3.24Å; Y1059-I1061 HydrophobicContact CD2-CG1 4.39Å; Y1059-I1061 HydrophobicContact CE2-CG1 4.05Å; I1061-N1095 PolarHBondContact N-OD1 3.47Å; I1061-N1095 WeakPolarHBondContact O-CA 2.92Å; I1061-N1095 PolarHBondContact O-N 3.18Å; I1061-V1096 VanDerWaalsContact CG2-O 3.29Å; I1061-V1096 WeakPolarHBondContact CG2-O 2.92Å; I1061-T1097 HydrophobicContact CD1-CG2 4.45Å
1062	Q	91.3	Very high	86.1	Confident	12 Å²	12	67.6 Å²	67.6	6%	0.056	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.3	175.6	-67.7	-164.6	-5.6	0	0	110.9	S1048 V1049 V1051 L1084 E1094	S1048-Q1062 CarbonylContact C-O 3.52Å; S1048-Q1062 WeakPolarHBondContact CA-O 3.47Å; V1049-Q1062 HydrophobicContact CG2-CB 4.44Å; V1049-Q1062 WeakPolarHBondContact CG2-O 3.44Å; V1049-Q1062 PolarHBondContact N-O 3.35Å; V1049-Q1062 PolarHBondContact O-N 3.28Å; V1051-Q1062 HydrophobicContact CG2-CB 4.25Å; V1051-Q1062 HydrophobicContact CG2-CG 4.26Å; Q1062-L1084 HydrophobicContact CB-CD1 3.96Å; Q1062-E1094 PolarHBondContact NE2-OE1 3.34Å
1063	H	93	Very high	86.2	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.4	-168	-47.8	-81.8	0	0	0	112.5	S1048 I1085 V1093 V1096 L1101	S1048-H1063 PolarHBondContact OG-ND1 3.19Å; H1063-I1085 PolarHBondContact O-N 2.93Å; H1063-V1093 PolarHBondContact CD2-O 3.39Å; H1063-V1093 PolarHBondContact NE2-O 2.63Å; H1063-V1096 PolarHBondContact CE1-O 3.2Å; H1063-V1096 PolarHBondContact NE2-O 2.98Å; H1063-V1096 VanDerWaalsContact NE2-O 3.08Å; H1063-L1101 HydrophobicContact CB-CD2 3.63Å; H1063-L1101 VanDerWaalsContact CD2-CD2 3.49Å; H1063-L1101 WeakPolarHBondContact CD2-CD2 3.3Å
1064	I	92.9	Very high	86.6	Confident	20 Å²	20	57.5 Å²	57.5	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.8	-176.5	-60.4	170.9	0	0	0	109.5	I1046 K1047 V1049 S1066 D1083 L1084 L1119	I1046-I1064 WeakPolarHBondContact CA-O 3.4Å; K1047-I1064 PolarHBondContact N-O 2.75Å; K1047-I1064 PolarHBondContact O-N 3.05Å; V1049-I1064 HydrophobicContact CG1-CD1 4.14Å; V1049-I1064 HydrophobicContact CG2-CD1 3.72Å; V1049-I1064 HydrophobicContact CG2-CG1 4.19Å; I1064-S1066 PolarHBondContact O-N 2.81Å; I1064-D1083 WeakPolarHBondContact CA-O 3.43Å; I1064-L1084 HydrophobicContact CG1-CD1 4.31Å; I1064-L1119 HydrophobicContact CD1-CD1 4.15Å; I1064-L1119 HydrophobicContact CD1-CD2 4.08Å
1065	V	93.5	Very high	87.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	111.9	173.8	179.6	0	0	0	0	109.8	F1044 S1045 V1068 L1079 R1080 T1081 D1082 D1083 I1085	F1044-V1065 HydrophobicContact CB-CG1 4.44Å; S1045-V1065 WeakPolarHBondContact O-CA 3.41Å; V1065-V1068 HydrophobicContact CG1-CG2 3.49Å; V1065-V1068 VanDerWaalsContact CG1-CG2 3.49Å; V1065-L1079 HydrophobicContact CG1-CD2 4.25Å; V1065-L1079 HydrophobicContact CG1-CG 4.39Å; V1065-L1079 HydrophobicContact CG2-CD1 4.03Å; V1065-L1079 HydrophobicContact CG2-CD2 4.16Å; V1065-L1079 HydrophobicContact CG2-CG 4.16Å; V1065-R1080 WeakPolarHBondContact CB-O 3.19Å; V1065-R1080 WeakPolarHBondContact CG1-O 3.41Å; V1065-T1081 WeakPolarHBondContact O-CA 3.38Å; V1065-D1082 PolarHBondContact O-N 3.45Å; V1065-D1083 HydrophobicContact CB-CB 4.44Å; V1065-D1083 HydrophobicContact CG2-CB 4.16Å; V1065-D1083 PolarHBondContact N-O 2.89Å; V1065-I1085 HydrophobicContact CG2-CD1 4.07Å; V1065-I1085 HydrophobicContact CG2-CG1 4.01Å
1066	S	92.4	Very high	87.7	Confident	60 Å²	60	59.7 Å²	59.7	42%	0.42	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-26	-175.7	64.1	0	0	0	0	113.8	S1045 I1064	S1045-S1066 PolarHBondContact O-N 3.47Å; S1045-S1066 PolarHBondContact O-OG 2.9Å; I1064-S1066 PolarHBondContact O-N 2.81Å
1067	S	92.2	Very high	88.4	Confident	49 Å²	49	60.6 Å²	60.6	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	144.2	-178.8	43.6	0	0	0	0	110.2	F1044 S1045	F1044-S1067 CarbonylContact C-O 3.59Å; F1044-S1067 VanDerWaalsContact CA-O 3.31Å; F1044-S1067 WeakPolarHBondContact CA-O 3.23Å; F1044-S1067 WeakPolarHBondContact CB-O 3.49Å; S1045-S1067 VanDerWaalsContact CB-OG 3.24Å; S1045-S1067 WeakPolarHBondContact CB-OG 3.34Å; S1045-S1067 PolarHBondContact N-O 3.35Å; S1045-S1067 PolarHBondContact OG-OG 2.75Å; S1045-S1067 VanDerWaalsContact OG-OG 3.07Å
1068	V	91.9	Very high	89	Confident	22 Å²	22	53.1 Å²	53.1	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.3	172.4	-171.2	0	0	0	0	107.5	F1044 V1065 P1070 A1074 L1079	F1044-V1068 HydrophobicContact CB-CB 4.49Å; F1044-V1068 HydrophobicContact CB-CG1 4.37Å; F1044-V1068 HydrophobicContact CB-CG2 4.14Å; V1065-V1068 HydrophobicContact CG1-CG2 3.49Å; V1065-V1068 VanDerWaalsContact CG1-CG2 3.49Å; V1068-P1070 WeakPolarHBondContact O-CD 3.26Å; V1068-A1074 HydrophobicContact CG1-CB 3.84Å; V1068-L1079 HydrophobicContact CG2-CD2 4.27Å; V1068-L1079 HydrophobicContact CG2-CG 4.29Å
1069	D	89.4	Confident	89.9	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	25%	0.254	S	S	.	.			trans	-76.2	118.9	177.1	-176.4	-30.7	0	0	0	109.5	K1040 G1043 T1071 T1072	K1040-D1069 WeakPolarHBondContact CD-OD2 3.47Å; K1040-D1069 IonicContact NZ-OD1 2.7Å; K1040-D1069 IonicContact NZ-OD2 2.95Å; K1040-D1069 PolarHBondContact NZ-OD2 3.21Å; G1043-D1069 PolarHBondContact O-N 3.44Å; D1069-T1071 PolarHBondContact O-N 3.33Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.41Å; D1069-T1071 PolarHBondContact OD1-N 3.05Å; D1069-T1071 PolarHBondContact OD1-OG1 3.21Å; D1069-T1071 PolarHBondContact OD2-OG1 3.33Å; D1069-T1072 HydrophobicContact CB-CG2 3.74Å; D1069-T1072 PolarHBondContact O-N 3.01Å; D1069-T1072 PolarHBondContact O-OG1 3.43Å
1070	P	88.8	Confident	90.2	Very high	92 Å²	92	45.9 Å²	45.9	60%	0.597	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.3	-178.5	-23.6	34.8	0	0	0	115.1	V1068	V1068-P1070 WeakPolarHBondContact O-CD 3.26Å
1071	T	86.4	Confident	90.3	Very high	102 Å²	102	49 Å²	49	63%	0.626	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	19.6	179.8	64.9	0	0	0	0	113.5	K1040 D1069	K1040-T1071 PolarHBondContact NZ-OG1 2.86Å; D1069-T1071 PolarHBondContact O-N 3.33Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.41Å; D1069-T1071 PolarHBondContact OD1-N 3.05Å; D1069-T1071 PolarHBondContact OD1-OG1 3.21Å; D1069-T1071 PolarHBondContact OD2-OG1 3.33Å
1072	T	87.9	Confident	90.4	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.104	29%	0.287	C	S	.	.	S	Bend	trans	-134.4	156.1	-171.6	68.4	0	0	0	0	114	K1040 G1043 D1069 A1074 Y1075 E1076	K1040-T1072 HydrophobicContact CB-CG2 4.46Å; K1040-T1072 HydrophobicContact CD-CG2 4.02Å; G1043-T1072 PolarHBondContact O-OG1 3.24Å; D1069-T1072 HydrophobicContact CB-CG2 3.74Å; D1069-T1072 PolarHBondContact O-N 3.01Å; D1069-T1072 PolarHBondContact O-OG1 3.43Å; T1072-A1074 PolarHBondContact O-N 2.91Å; T1072-Y1075 WeakPolarHBondContact O-CB 3.38Å; T1072-Y1075 PolarHBondContact O-N 3.26Å; T1072-E1076 PolarHBondContact O-N 2.98Å
1073	A	88.2	Confident	90.5	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-55.8	-25.5	-178.7	0	0	0	0	0	114.1	I1035 E1076 N1077	I1035-A1073 HydrophobicContact CG2-CB 4.17Å; A1073-E1076 PolarHBondContact O-N 2.87Å; A1073-N1077 WeakPolarHBondContact O-CB 3.34Å; A1073-N1077 PolarHBondContact O-N 3.28Å; A1073-N1077 PolarHBondContact O-ND2 3.02Å
1074	A	90	Very high	90.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-42.1	173.8	0	0	0	0	0	112.4	I1035 F1042 F1044 V1068 T1072 G1078 L1079	I1035-A1074 HydrophobicContact CD1-CB 3.92Å; I1035-A1074 HydrophobicContact CG2-CB 4.23Å; F1042-A1074 VanDerWaalsContact O-CB 3.29Å; F1042-A1074 WeakPolarHBondContact O-CB 3.43Å; F1044-A1074 HydrophobicContact CB-CB 4.38Å; F1044-A1074 HydrophobicContact CD1-CB 4.03Å; V1068-A1074 HydrophobicContact CG1-CB 3.84Å; T1072-A1074 PolarHBondContact O-N 2.91Å; A1074-G1078 PolarHBondContact O-N 2.82Å; A1074-L1079 HydrophobicContact CB-CB 4.37Å; A1074-L1079 HydrophobicContact CB-CD2 4.14Å; A1074-L1079 WeakPolarHBondContact O-CB 3.15Å; A1074-L1079 PolarHBondContact O-N 3.5Å
1075	Y	90.9	Very high	90.4	Very high	106 Å²	106	50.8 Å²	50.8	42%	0.416	28%	0.283	S	S	.	.	H	α-helix	trans	-68.9	-41.6	177.5	-175.4	-100.7	0	0	0	111.4	T1072 G1078 R1080	T1072-Y1075 WeakPolarHBondContact O-CB 3.38Å; T1072-Y1075 PolarHBondContact O-N 3.26Å; Y1075-G1078 PolarHBondContact O-N 3.46Å; Y1075-R1080 PolarHBondContact O-NH1 3.12Å; Y1075-R1080 PolarHBondContact O-NH2 3.47Å
1076	E	87.7	Confident	90.2	Very high	151 Å²	151	51.7 Å²	51.7	71%	0.706	29%	0.289	S	S	*	.	H	α-helix	trans	-65.2	-44.1	179.4	-62.3	-179.7	142.9	0	0	112.1	T1072 A1073 G1078	T1072-E1076 PolarHBondContact O-N 2.98Å; A1073-E1076 PolarHBondContact O-N 2.87Å; E1076-G1078 PolarHBondContact O-N 2.94Å
1077	N	88.6	Confident	90.2	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	8.3	178.1	-69.8	-83.9	0	0	0	113.9	I1033 I1034 A1073	I1033-N1077 HydrophobicContact CG2-CB 3.89Å; I1033-N1077 WeakPolarHBondContact CG2-O 3.41Å; I1034-N1077 WeakPolarHBondContact O-CB 3.38Å; I1034-N1077 PolarHBondContact O-OD1 2.94Å; A1073-N1077 WeakPolarHBondContact O-CB 3.34Å; A1073-N1077 PolarHBondContact O-N 3.28Å; A1073-N1077 PolarHBondContact O-ND2 3.02Å
1078	G	88.5	Confident	90.1	Very high	23 Å²	23	49.1 Å²	49.1	24%	0.237	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	8.1	164.8	0	0	0	0	0	117	A1074 Y1075 E1076	A1074-G1078 PolarHBondContact O-N 2.82Å; Y1075-G1078 PolarHBondContact O-N 3.46Å; E1076-G1078 PolarHBondContact O-N 2.94Å
1079	L	91.8	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.			trans	-70.3	135.2	175	-164.3	71.2	0	0	0	110.5	I1033 I1035 F1044 V1065 V1068 A1074 L1114 V1116	I1033-L1079 HydrophobicContact CD1-CB 4.32Å; I1033-L1079 HydrophobicContact CD1-CD1 3.99Å; I1035-L1079 HydrophobicContact CD1-CD2 4.25Å; F1044-L1079 HydrophobicContact CB-CD2 3.75Å; F1044-L1079 HydrophobicContact CD1-CD2 3.67Å; F1044-L1079 HydrophobicContact CD2-CD2 3.86Å; F1044-L1079 HydrophobicContact CE1-CD2 4.22Å; F1044-L1079 HydrophobicContact CE2-CD2 4.39Å; F1044-L1079 HydrophobicContact CG-CD2 3.47Å; F1044-L1079 VanDerWaalsContact CG-CD2 3.47Å; V1065-L1079 HydrophobicContact CG1-CD2 4.25Å; V1065-L1079 HydrophobicContact CG1-CG 4.39Å; V1065-L1079 HydrophobicContact CG2-CD1 4.03Å; V1065-L1079 HydrophobicContact CG2-CD2 4.16Å; V1065-L1079 HydrophobicContact CG2-CG 4.16Å; V1068-L1079 HydrophobicContact CG2-CD2 4.27Å; V1068-L1079 HydrophobicContact CG2-CG 4.29Å; A1074-L1079 HydrophobicContact CB-CB 4.37Å; A1074-L1079 HydrophobicContact CB-CD2 4.14Å; A1074-L1079 WeakPolarHBondContact O-CB 3.15Å; A1074-L1079 PolarHBondContact O-N 3.5Å; L1079-L1114 HydrophobicContact CD1-CD1 4.08Å; L1079-L1114 HydrophobicContact CD2-CD1 4.25Å; L1079-V1116 HydrophobicContact CD1-CG1 3.81Å; L1079-V1116 HydrophobicContact CD1-CG2 4.38Å
1080	R	92.2	Very high	89.7	Confident	96 Å²	96	52.2 Å²	52.2	36%	0.362	30%	0.295	S	S	.	.			trans	-126.2	161.9	-179.2	-58.5	-63.8	171.8	-107.8	7.5	111.4	V1065 Y1075 D1083	V1065-R1080 WeakPolarHBondContact CB-O 3.19Å; V1065-R1080 WeakPolarHBondContact CG1-O 3.41Å; Y1075-R1080 PolarHBondContact O-NH1 3.12Å; Y1075-R1080 PolarHBondContact O-NH2 3.47Å; R1080-D1083 PolarHBondContact N-OD2 3.4Å; R1080-D1083 WeakPolarHBondContact O-CB 3.38Å; R1080-D1083 PolarHBondContact O-N 3.31Å
1081	T	90.7	Very high	89.5	Confident	77 Å²	77	50.7 Å²	50.7	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	146.9	166.4	46.3	0	0	0	0	110.3	V1065 D1083	V1065-T1081 WeakPolarHBondContact O-CA 3.38Å; T1081-D1083 PolarHBondContact O-N 3.11Å
1082	D	89.8	Confident	89.6	Confident	98 Å²	98	49.1 Å²	49.1	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	17.8	-174.8	-56.8	-53.9	0	0	0	114.9	V1065 L1119	V1065-D1082 PolarHBondContact O-N 3.45Å; D1082-L1119 VanDerWaalsContact O-CB 3.27Å; D1082-L1119 WeakPolarHBondContact O-CB 3.46Å; D1082-L1119 PolarHBondContact O-N 3.39Å; D1082-L1119 VanDerWaalsContact O-N 3.09Å
1083	D	93	Very high	89.6	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129	159.4	-82.9	-23.8	0	0	0	110.2	K1030 I1064 V1065 R1080 T1081 V1116	K1030-D1083 WeakPolarHBondContact CE-OD1 3.46Å; K1030-D1083 IonicContact NZ-OD1 2.83Å; K1030-D1083 PolarHBondContact NZ-OD1 3.01Å; K1030-D1083 IonicContact NZ-OD2 2.8Å; K1030-D1083 PolarHBondContact NZ-OD2 2.87Å; I1064-D1083 WeakPolarHBondContact CA-O 3.43Å; V1065-D1083 HydrophobicContact CB-CB 4.44Å; V1065-D1083 HydrophobicContact CG2-CB 4.16Å; V1065-D1083 PolarHBondContact N-O 2.89Å; R1080-D1083 PolarHBondContact N-OD2 3.4Å; R1080-D1083 WeakPolarHBondContact O-CB 3.38Å; R1080-D1083 PolarHBondContact O-N 3.31Å; T1081-D1083 PolarHBondContact O-N 3.11Å; D1083-V1116 HydrophobicContact CB-CB 4.11Å; D1083-V1116 HydrophobicContact CB-CG1 4.5Å; D1083-V1116 HydrophobicContact CB-CG2 4.26Å
1084	L	91.9	Very high	89.5	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.3	170.2	173.6	66.7	0	0	0	110	Q1062 I1064 V1116 A1117 T1122 I1124	Q1062-L1084 HydrophobicContact CB-CD1 3.96Å; I1064-L1084 HydrophobicContact CG1-CD1 4.31Å; L1084-V1116 WeakPolarHBondContact O-CA 3.35Å; L1084-V1116 WeakPolarHBondContact O-CB 3.2Å; L1084-A1117 WeakPolarHBondContact CB-O 3.36Å; L1084-A1117 PolarHBondContact N-O 3Å; L1084-A1117 PolarHBondContact O-N 3.23Å; L1084-T1122 HydrophobicContact CD2-CG2 3.79Å; L1084-I1124 HydrophobicContact CD2-CD1 4.03Å
1085	I	92.3	Very high	89.3	Confident	5 Å²	5	55 Å²	55	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.7	175.4	-52.4	177.4	0	0	0	109.4	F1044 I1046 H1063 V1065 V1088 V1093 L1114 V1116	F1044-I1085 HydrophobicContact CE2-CD1 4.27Å; I1046-I1085 HydrophobicContact CG2-CD1 3.64Å; H1063-I1085 PolarHBondContact O-N 2.93Å; V1065-I1085 HydrophobicContact CG2-CD1 4.07Å; V1065-I1085 HydrophobicContact CG2-CG1 4.01Å; I1085-V1088 HydrophobicContact CG2-CG2 4.08Å; I1085-V1093 HydrophobicContact CG2-CG2 3.94Å; I1085-L1114 HydrophobicContact CG2-CD2 4.43Å; I1085-V1116 HydrophobicContact CG1-CG1 4.3Å
1086	T	90.5	Very high	89	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33	-179.9	66.2	0	0	0	0	112.7	V1026 V1093 K1115	V1026-T1086 HydrophobicContact CG2-CG2 4.32Å; T1086-V1093 PolarHBondContact O-N 3.32Å; T1086-V1093 VanDerWaalsContact O-N 3.09Å; T1086-K1115 PolarHBondContact N-O 2.95Å; T1086-K1115 WeakPolarHBondContact OG1-CB 3.34Å; T1086-K1115 PolarHBondContact OG1-O 3.15Å
1087	H	91.8	Very high	89	Confident	52 Å²	52	46.2 Å²	46.2	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.8	179.1	-56.4	68.2	0	0	0	112	S1091 L1114 K1115	H1087-S1091 CarbonylContact C-O 3.54Å; H1087-S1091 WeakPolarHBondContact CA-O 2.99Å; H1087-S1091 VanDerWaalsContact CB-O 3.32Å; H1087-S1091 WeakPolarHBondContact CB-O 3.49Å; H1087-L1114 WeakPolarHBondContact O-CA 3.22Å; H1087-K1115 HydrophobicContact CB-CB 4Å; H1087-K1115 HydrophobicContact CB-CD 4.29Å; H1087-K1115 HydrophobicContact CB-CG 4.29Å; H1087-K1115 PolarHBondContact N-O 3.36Å; H1087-K1115 PolarHBondContact O-N 2.91Å
1088	V	90.5	Very high	88.8	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.5	170.7	172.6	0	0	0	0	108.3	I1085 G1090 S1091 V1093 L1101 K1104 L1105 L1112 L1114	I1085-V1088 HydrophobicContact CG2-CG2 4.08Å; V1088-G1090 PolarHBondContact O-N 3.18Å; V1088-G1090 VanDerWaalsContact O-N 3.14Å; V1088-S1091 PolarHBondContact N-O 3.3Å; V1088-S1091 WeakPolarHBondContact O-CB 3.36Å; V1088-S1091 PolarHBondContact O-N 3.23Å; V1088-V1093 HydrophobicContact CB-CG1 4.07Å; V1088-V1093 HydrophobicContact CG2-CG1 3.92Å; V1088-L1101 HydrophobicContact CG2-CD1 3.71Å; V1088-K1104 HydrophobicContact CG1-CB 4.33Å; V1088-L1105 HydrophobicContact CG1-CD2 4.03Å; V1088-L1105 HydrophobicContact CG2-CD2 4.07Å; V1088-L1112 HydrophobicContact CG1-CD1 3.85Å; V1088-L1114 HydrophobicContact CG2-CD2 3.79Å
1089	N	88.4	Confident	88.5	Confident	75 Å²	75	49 Å²	49	40%	0.401	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	41.6	-177.7	-59.7	-14.9	0	0	0	113.3	S1091 S1108 T1113	N1089-S1091 PolarHBondContact O-N 3.46Å; N1089-S1108 PolarHBondContact ND2-OG 3.46Å; N1089-T1113 PolarHBondContact N-O 2.81Å; N1089-T1113 PolarHBondContact OD1-N 3.25Å
1090	G	83.6	Confident	88.2	Confident	61 Å²	61	53.6 Å²	53.6	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-17.8	-177.6	0	0	0	0	0	115.5	V1088	V1088-G1090 PolarHBondContact O-N 3.18Å; V1088-G1090 VanDerWaalsContact O-N 3.14Å
1091	S	86.2	Confident	88.1	Confident	60 Å²	60	49 Å²	49	42%	0.42	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.3	171.7	-65.9	0	0	0	0	110.9	H1087 V1088 N1089	H1087-S1091 CarbonylContact C-O 3.54Å; H1087-S1091 WeakPolarHBondContact CA-O 2.99Å; H1087-S1091 VanDerWaalsContact CB-O 3.32Å; H1087-S1091 WeakPolarHBondContact CB-O 3.49Å; V1088-S1091 PolarHBondContact N-O 3.3Å; V1088-S1091 WeakPolarHBondContact O-CB 3.36Å; V1088-S1091 PolarHBondContact O-N 3.23Å; N1089-S1091 PolarHBondContact O-N 3.46Å
1092	C	88.5	Confident	87.8	Confident	70 Å²	70	48.7 Å²	48.7	47%	0.473	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	151.4	167.9	-170.9	0	0	0	0	110.8
1093	V	87.7	Confident	87.5	Confident	1 Å²	1	50 Å²	50	1%	0.006	29%	0.286	C	S	.	.			trans	-128.6	21.6	179.4	-58.5	0	0	0	0	114.2	H1063 I1085 T1086 V1088 V1096 L1101	H1063-V1093 PolarHBondContact CD2-O 3.39Å; H1063-V1093 PolarHBondContact NE2-O 2.63Å; I1085-V1093 HydrophobicContact CG2-CG2 3.94Å; T1086-V1093 PolarHBondContact O-N 3.32Å; T1086-V1093 VanDerWaalsContact O-N 3.09Å; V1088-V1093 HydrophobicContact CB-CG1 4.07Å; V1088-V1093 HydrophobicContact CG2-CG1 3.92Å; V1093-V1096 HydrophobicContact CB-CB 4.43Å; V1093-V1096 HydrophobicContact CB-CG2 4.24Å; V1093-L1101 HydrophobicContact CB-CD1 4.25Å; V1093-L1101 HydrophobicContact CG1-CD1 3.86Å
1094	E	84.4	Confident	87.1	Confident	74 Å²	74	53.9 Å²	53.9	35%	0.346	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	139.1	167.6	-178.1	158.7	-134.1	0	0	110.7	Q1062 V1096	Q1062-E1094 PolarHBondContact NE2-OE1 3.34Å; E1094-V1096 PolarHBondContact O-N 3.4Å; E1094-V1096 VanDerWaalsContact O-N 3.12Å
1095	N	85.8	Confident	86.8	Confident	92 Å²	92	54.3 Å²	54.3	49%	0.492	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	9.2	-174.7	-82.5	-19	0	0	0	116.8	T1060 I1061	T1060-N1095 WeakPolarHBondContact CA-OD1 3.07Å; T1060-N1095 WeakPolarHBondContact CB-OD1 3.04Å; I1061-N1095 PolarHBondContact N-OD1 3.47Å; I1061-N1095 WeakPolarHBondContact O-CA 2.92Å; I1061-N1095 PolarHBondContact O-N 3.18Å
1096	V	86	Confident	86.2	Confident	16 Å²	16	59.2 Å²	59.2	10%	0.097	33%	0.33	C	S	.	.			trans	-73.5	144.3	171.6	179	0	0	0	0	109.5	I1061 H1063 V1093 E1094 E1100 L1101	I1061-V1096 VanDerWaalsContact CG2-O 3.29Å; I1061-V1096 WeakPolarHBondContact CG2-O 2.92Å; H1063-V1096 PolarHBondContact CE1-O 3.2Å; H1063-V1096 PolarHBondContact NE2-O 2.98Å; H1063-V1096 VanDerWaalsContact NE2-O 3.08Å; V1093-V1096 HydrophobicContact CB-CB 4.43Å; V1093-V1096 HydrophobicContact CB-CG2 4.24Å; E1094-V1096 PolarHBondContact O-N 3.4Å; E1094-V1096 VanDerWaalsContact O-N 3.12Å; V1096-E1100 HydrophobicContact CG1-CB 3.52Å; V1096-L1101 HydrophobicContact CG1-CB 4.09Å
1097	T	86.1	Confident	85.6	Confident	55 Å²	55	63 Å²	63	34%	0.337	36%	0.356	S	S	.	.			trans	-82.4	160.6	175.1	67	0	0	0	0	111.4	I1061 E1100 L1101	I1061-T1097 HydrophobicContact CD1-CG2 4.45Å; T1097-E1100 VanDerWaalsContact CB-OE2 3.27Å; T1097-E1100 WeakPolarHBondContact CB-OE2 3.41Å; T1097-E1100 WeakPolarHBondContact CG2-OE2 3.31Å; T1097-E1100 PolarHBondContact N-OE2 3.09Å; T1097-E1100 PolarHBondContact O-N 3.39Å; T1097-E1100 VanDerWaalsContact OG1-CD 3.27Å; T1097-E1100 WeakPolarHBondContact OG1-CG 3.37Å; T1097-E1100 PolarHBondContact OG1-OE2 2.97Å; T1097-L1101 PolarHBondContact O-N 3.42Å
1098	Q	85.3	Confident	84.6	Confident	76 Å²	76	60.7 Å²	60.7	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-40	-179.1	-164.8	156.6	-41.9	0	0	113.9	I1046 S1048 L1102	I1046-Q1098 HydrophobicContact CD1-CG 4.39Å; S1048-Q1098 WeakPolarHBondContact OG-CB 3.18Å; S1048-Q1098 PolarHBondContact OG-OE1 3.47Å; Q1098-L1102 HydrophobicContact CG-CD1 4.11Å; Q1098-L1102 HydrophobicContact CG-CG 4.46Å; Q1098-L1102 WeakPolarHBondContact O-CB 3.37Å; Q1098-L1102 VanDerWaalsContact O-CG 3.25Å; Q1098-L1102 WeakPolarHBondContact O-CG 3.38Å; Q1098-L1102 PolarHBondContact O-N 3.22Å
1099	P	83.3	Confident	84.1	Confident	92 Å²	92	62.8 Å²	62.8	60%	0.597	37%	0.368	S	S	*	.	H	α-helix	trans	-62.4	-45.3	173.9	-24.6	36	0	0	0	113.4	L1101 L1102 Q1103	P1099-L1101 PolarHBondContact O-N 3.04Å; P1099-L1102 PolarHBondContact O-N 3.02Å; P1099-Q1103 PolarHBondContact O-N 2.79Å
1100	E	85.2	Confident	83.9	Confident	95 Å²	95	64.5 Å²	64.5	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178.5	-67.5	167.1	122.5	0	0	112.1	V1096 T1097 Q1103 K1104	V1096-E1100 HydrophobicContact CG1-CB 3.52Å; T1097-E1100 VanDerWaalsContact CB-OE2 3.27Å; T1097-E1100 WeakPolarHBondContact CB-OE2 3.41Å; T1097-E1100 WeakPolarHBondContact CG2-OE2 3.31Å; T1097-E1100 PolarHBondContact N-OE2 3.09Å; T1097-E1100 PolarHBondContact O-N 3.39Å; T1097-E1100 VanDerWaalsContact OG1-CD 3.27Å; T1097-E1100 WeakPolarHBondContact OG1-CG 3.37Å; T1097-E1100 PolarHBondContact OG1-OE2 2.97Å; E1100-Q1103 PolarHBondContact O-N 2.76Å; E1100-K1104 WeakPolarHBondContact O-CG 3.39Å; E1100-K1104 PolarHBondContact O-N 2.83Å
1101	L	88.7	Confident	84	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-44	173.2	178.3	60.6	0	0	0	111.1	I1046 H1063 V1088 V1093 V1096 T1097 P1099 Q1103 K1104 L1105	I1046-L1101 HydrophobicContact CD1-CD2 3.54Å; I1046-L1101 HydrophobicContact CD1-CG 3.97Å; H1063-L1101 HydrophobicContact CB-CD2 3.63Å; H1063-L1101 VanDerWaalsContact CD2-CD2 3.49Å; H1063-L1101 WeakPolarHBondContact CD2-CD2 3.3Å; V1088-L1101 HydrophobicContact CG2-CD1 3.71Å; V1093-L1101 HydrophobicContact CB-CD1 4.25Å; V1093-L1101 HydrophobicContact CG1-CD1 3.86Å; V1096-L1101 HydrophobicContact CG1-CB 4.09Å; T1097-L1101 PolarHBondContact O-N 3.42Å; P1099-L1101 PolarHBondContact O-N 3.04Å; L1101-Q1103 VanDerWaalsContact C-N 3.3Å; L1101-Q1103 PolarHBondContact O-N 2.89Å; L1101-K1104 PolarHBondContact O-N 3.34Å; L1101-L1105 HydrophobicContact CD1-CD1 4.32Å; L1101-L1105 HydrophobicContact CD1-CG 4.26Å; L1101-L1105 HydrophobicContact CG-CD1 4.03Å; L1101-L1105 HydrophobicContact CG-CG 4.42Å; L1101-L1105 VanDerWaalsContact O-CG 3.29Å; L1101-L1105 WeakPolarHBondContact O-CG 3.06Å; L1101-L1105 PolarHBondContact O-N 3.47Å
1102	L	85.8	Confident	84.3	Confident	70 Å²	70	65.9 Å²	65.9	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-40	175.5	-74.9	168.6	0	0	0	111.4	I1046 Q1098 P1099 L1105 I1106	I1046-L1102 HydrophobicContact CD1-CD2 4.05Å; I1046-L1102 HydrophobicContact CD1-CG 4.27Å; Q1098-L1102 HydrophobicContact CG-CD1 4.11Å; Q1098-L1102 HydrophobicContact CG-CG 4.46Å; Q1098-L1102 WeakPolarHBondContact O-CB 3.37Å; Q1098-L1102 VanDerWaalsContact O-CG 3.25Å; Q1098-L1102 WeakPolarHBondContact O-CG 3.38Å; Q1098-L1102 PolarHBondContact O-N 3.22Å; P1099-L1102 PolarHBondContact O-N 3.02Å; L1102-L1105 CarbonylContact O-C 3.23Å; L1102-L1105 PolarHBondContact O-N 3.23Å; L1102-I1106 HydrophobicContact CB-CD1 4.43Å; L1102-I1106 WeakPolarHBondContact O-CB 3.45Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.31Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.23Å; L1102-I1106 PolarHBondContact O-N 2.75Å
1103	Q	83.4	Confident	84.4	Confident	126 Å²	126	65 Å²	65	59%	0.589	35%	0.346	S	S	*	.	H	α-helix	trans	-60.9	-47.9	173.7	-167.8	-179.5	16.1	0	0	111.3	P1099 E1100 L1101 L1105 I1106 C1107	P1099-Q1103 PolarHBondContact O-N 2.79Å; E1100-Q1103 PolarHBondContact O-N 2.76Å; L1101-Q1103 VanDerWaalsContact C-N 3.3Å; L1101-Q1103 PolarHBondContact O-N 2.89Å; Q1103-L1105 VanDerWaalsContact C-N 3.25Å; Q1103-L1105 PolarHBondContact O-N 3.17Å; Q1103-I1106 PolarHBondContact O-N 3.45Å; Q1103-C1107 VanDerWaalsContact O-CB 3.3Å; Q1103-C1107 WeakPolarHBondContact O-CB 3.19Å; Q1103-C1107 PolarHBondContact O-N 2.85Å; Q1103-C1107 PolarHBondContact O-SG 3.49Å; Q1103-C1107 VanDerWaalsContact O-SG 3.35Å
1104	K	83.2	Confident	84.6	Confident	84 Å²	84	64.9 Å²	64.9	37%	0.365	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-34.4	174.7	-70.8	-178.8	-176.2	-176	0	112.8	V1088 E1100 L1101 S1108	V1088-K1104 HydrophobicContact CG1-CB 4.33Å; E1100-K1104 WeakPolarHBondContact O-CG 3.39Å; E1100-K1104 PolarHBondContact O-N 2.83Å; L1101-K1104 PolarHBondContact O-N 3.34Å; K1104-S1108 PolarHBondContact O-N 2.95Å; K1104-S1108 PolarHBondContact O-OG 2.91Å
1105	L	85.8	Confident	84.9	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-76.1	-36.2	175.9	-68.2	172.2	0	0	0	113.1	F1042 F1044 I1046 V1088 L1101 L1102 Q1103 S1108 L1112 L1114	F1042-L1105 WeakPolarHBondContact CE2-O 3.39Å; F1044-L1105 HydrophobicContact CZ-CD2 4.34Å; I1046-L1105 HydrophobicContact CD1-CD1 4.05Å; V1088-L1105 HydrophobicContact CG1-CD2 4.03Å; V1088-L1105 HydrophobicContact CG2-CD2 4.07Å; L1101-L1105 HydrophobicContact CD1-CD1 4.32Å; L1101-L1105 HydrophobicContact CD1-CG 4.26Å; L1101-L1105 HydrophobicContact CG-CD1 4.03Å; L1101-L1105 HydrophobicContact CG-CG 4.42Å; L1101-L1105 VanDerWaalsContact O-CG 3.29Å; L1101-L1105 WeakPolarHBondContact O-CG 3.06Å; L1101-L1105 PolarHBondContact O-N 3.47Å; L1102-L1105 CarbonylContact O-C 3.23Å; L1102-L1105 PolarHBondContact O-N 3.23Å; Q1103-L1105 VanDerWaalsContact C-N 3.25Å; Q1103-L1105 PolarHBondContact O-N 3.17Å; L1105-S1108 VanDerWaalsContact O-CB 3.31Å; L1105-S1108 WeakPolarHBondContact O-CB 3.34Å; L1105-S1108 PolarHBondContact O-N 3.36Å; L1105-L1112 HydrophobicContact CD2-CD1 3.62Å; L1105-L1112 HydrophobicContact CD2-CD2 3.8Å; L1105-L1112 HydrophobicContact CD2-CG 4.37Å; L1105-L1114 HydrophobicContact CD2-CD2 4.32Å
1106	I	79.8	Confident	85.1	Confident	109 Å²	109	61.2 Å²	61.2	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-78.7	-39.6	-177.8	-70.2	164	0	0	0	111.4	R1037 L1102 Q1103 S1108	R1037-I1106 PolarHBondContact NH1-O 3.22Å; L1102-I1106 HydrophobicContact CB-CD1 4.43Å; L1102-I1106 WeakPolarHBondContact O-CB 3.45Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.31Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.23Å; L1102-I1106 PolarHBondContact O-N 2.75Å; Q1103-I1106 PolarHBondContact O-N 3.45Å; I1106-S1108 PolarHBondContact O-N 3.49Å; I1106-S1108 VanDerWaalsContact O-O 3.12Å
1107	C	78.2	Confident	85.3	Confident	100 Å²	100	60.5 Å²	60.5	68%	0.676	32%	0.32	S	S	*	.	S	Bend	trans	-76.4	-2.6	172.6	-58.8	0	0	0	0	113	Q1103	Q1103-C1107 VanDerWaalsContact O-CB 3.3Å; Q1103-C1107 WeakPolarHBondContact O-CB 3.19Å; Q1103-C1107 PolarHBondContact O-N 2.85Å; Q1103-C1107 PolarHBondContact O-SG 3.49Å; Q1103-C1107 VanDerWaalsContact O-SG 3.35Å
1108	S	71.7	Confident	85.2	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	-69.7	126.3	157.5	-59.3	0	0	0	0	108.2	R1037 N1089 K1104 L1105 I1106	R1037-S1108 PolarHBondContact NH1-O 2.93Å; N1089-S1108 PolarHBondContact ND2-OG 3.46Å; K1104-S1108 PolarHBondContact O-N 2.95Å; K1104-S1108 PolarHBondContact O-OG 2.91Å; L1105-S1108 VanDerWaalsContact O-CB 3.31Å; L1105-S1108 WeakPolarHBondContact O-CB 3.34Å; L1105-S1108 PolarHBondContact O-N 3.36Å; I1106-S1108 PolarHBondContact O-N 3.49Å; I1106-S1108 VanDerWaalsContact O-O 3.12Å
1109	G	78.8	Confident	85.2	Confident	47 Å²	47	57.2 Å²	57.2	49%	0.485	31%	0.305	S	S	.	.			trans	-70.2	-131.8	-179.4	0	0	0	0	0	113	R1037 F1042 W1111	R1037-G1109 WeakPolarHBondContact CD-O 3.33Å; F1042-G1109 WeakPolarHBondContact CZ-O 3.45Å; G1109-W1111 PolarHBondContact O-N 3.33Å
1110	D	84.7	Confident	85.1	Confident	110 Å²	110	59.3 Å²	59.3	59%	0.588	31%	0.311	S	S	*	.	S	Bend	trans	-70.2	-13.4	179.1	-60.5	-37.4	0	0	0	113.7	Q1036 R1037	Q1036-D1110 CarbonylContact C-O 3.59Å; Q1036-D1110 WeakPolarHBondContact CA-O 3.41Å; R1037-D1110 PolarHBondContact N-O 3.01Å
1111	W	86	Confident	84.8	Confident	151 Å²	151	58.4 Å²	58.4	57%	0.572	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.6	-174.3	-57.7	91.1	0	0	0	111.3	I1034 Q1036 G1109	I1034-W1111 HydrophobicContact CG2-CE3 3.8Å; I1034-W1111 HydrophobicContact CG2-CZ3 4.25Å; Q1036-W1111 HydrophobicContact CB-CE3 4.23Å; Q1036-W1111 HydrophobicContact CB-CH2 4.47Å; Q1036-W1111 HydrophobicContact CB-CZ3 4.05Å; Q1036-W1111 HydrophobicContact CG-CE3 4.4Å; Q1036-W1111 HydrophobicContact CG-CH2 4.24Å; Q1036-W1111 HydrophobicContact CG-CZ2 4.39Å; Q1036-W1111 HydrophobicContact CG-CZ3 4.24Å; G1109-W1111 PolarHBondContact O-N 3.33Å
1112	L	91.1	Very high	84.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.4	177.1	169.7	64.5	0	0	0	109.5	I1034 I1035 F1042 F1044 V1088 L1105 L1114	I1034-L1112 CarbonylContact C-O 3.53Å; I1034-L1112 WeakPolarHBondContact CA-O 3.29Å; I1035-L1112 HydrophobicContact CB-CB 4.5Å; I1035-L1112 HydrophobicContact CD1-CD2 4.47Å; I1035-L1112 PolarHBondContact N-O 2.95Å; I1035-L1112 PolarHBondContact O-N 3.37Å; F1042-L1112 HydrophobicContact CB-CD2 4.15Å; F1042-L1112 HydrophobicContact CD1-CB 3.79Å; F1042-L1112 HydrophobicContact CD1-CD2 3.94Å; F1042-L1112 HydrophobicContact CD2-CD2 3.91Å; F1042-L1112 HydrophobicContact CE1-CB 3.45Å; F1042-L1112 VanDerWaalsContact CE1-CB 3.45Å; F1042-L1112 HydrophobicContact CE1-CD2 4.3Å; F1042-L1112 HydrophobicContact CE2-CB 4.38Å; F1042-L1112 HydrophobicContact CE2-CD2 4.28Å; F1042-L1112 HydrophobicContact CG-CB 4.38Å; F1042-L1112 HydrophobicContact CG-CD2 3.73Å; F1042-L1112 HydrophobicContact CZ-CB 3.78Å; F1042-L1112 HydrophobicContact CZ-CD2 4.46Å; F1044-L1112 HydrophobicContact CE1-CD2 3.76Å; F1044-L1112 HydrophobicContact CZ-CD2 3.89Å; V1088-L1112 HydrophobicContact CG1-CD1 3.85Å; L1105-L1112 HydrophobicContact CD2-CD1 3.62Å; L1105-L1112 HydrophobicContact CD2-CD2 3.8Å; L1105-L1112 HydrophobicContact CD2-CG 4.37Å; L1112-L1114 HydrophobicContact CD1-CD2 3.84Å; L1112-L1114 HydrophobicContact CD1-CG 4.49Å; L1112-L1114 HydrophobicContact CD2-CD1 4.44Å; L1112-L1114 HydrophobicContact CD2-CD2 4.15Å; L1112-L1114 HydrophobicContact CD2-CG 4.3Å; L1112-L1114 HydrophobicContact CG-CD2 3.99Å; L1112-L1114 HydrophobicContact CG-CG 4.13Å
1113	T	91	Very high	84.2	Confident	50 Å²	50	59.6 Å²	59.6	31%	0.307	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119	176.2	-55.8	0	0	0	0	110.8	P1032 I1033 I1034 N1089	P1032-T1113 HydrophobicContact CB-CG2 3.96Å; I1033-T1113 CarbonylContact O-C 3.59Å; I1033-T1113 WeakPolarHBondContact O-CA 3.44Å; I1034-T1113 HydrophobicContact CG1-CG2 4.46Å; N1089-T1113 PolarHBondContact N-O 2.81Å; N1089-T1113 PolarHBondContact OD1-N 3.25Å
1114	L	92	Very high	84.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.9	179.5	-57.9	-179.4	0	0	0	111.4	P1032 I1033 I1035 F1044 L1079 I1085 H1087 V1088 L1105 L1112 V1116	P1032-L1114 CarbonylContact C-O 3.54Å; P1032-L1114 WeakPolarHBondContact CA-O 3.48Å; I1033-L1114 HydrophobicContact CB-CB 4.47Å; I1033-L1114 PolarHBondContact N-O 3.08Å; I1033-L1114 PolarHBondContact O-N 2.71Å; I1035-L1114 HydrophobicContact CD1-CD1 3.74Å; I1035-L1114 HydrophobicContact CD1-CG 4.42Å; F1044-L1114 HydrophobicContact CE1-CD1 4.1Å; F1044-L1114 HydrophobicContact CE2-CD1 4.41Å; F1044-L1114 HydrophobicContact CZ-CD1 3.8Å; L1079-L1114 HydrophobicContact CD1-CD1 4.08Å; L1079-L1114 HydrophobicContact CD2-CD1 4.25Å; I1085-L1114 HydrophobicContact CG2-CD2 4.43Å; H1087-L1114 WeakPolarHBondContact O-CA 3.22Å; V1088-L1114 HydrophobicContact CG2-CD2 3.79Å; L1105-L1114 HydrophobicContact CD2-CD2 4.32Å; L1112-L1114 HydrophobicContact CD1-CD2 3.84Å; L1112-L1114 HydrophobicContact CD1-CG 4.49Å; L1112-L1114 HydrophobicContact CD2-CD1 4.44Å; L1112-L1114 HydrophobicContact CD2-CD2 4.15Å; L1112-L1114 HydrophobicContact CD2-CG 4.3Å; L1112-L1114 HydrophobicContact CG-CD2 3.99Å; L1112-L1114 HydrophobicContact CG-CG 4.13Å; L1114-V1116 HydrophobicContact CB-CG1 4.24Å
1115	K	90.9	Very high	84	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.8	158	-68.5	-176.6	178.2	175.9	0	109.3	P1032 T1086 H1087	P1032-K1115 HydrophobicContact CB-CG 4.43Å; T1086-K1115 PolarHBondContact N-O 2.95Å; T1086-K1115 WeakPolarHBondContact OG1-CB 3.34Å; T1086-K1115 PolarHBondContact OG1-O 3.15Å; H1087-K1115 HydrophobicContact CB-CB 4Å; H1087-K1115 HydrophobicContact CB-CD 4.29Å; H1087-K1115 HydrophobicContact CB-CG 4.29Å; H1087-K1115 PolarHBondContact N-O 3.36Å; H1087-K1115 PolarHBondContact O-N 2.91Å
1116	V	91.1	Very high	83.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.5	-179	-55.1	0	0	0	0	112.3	K1030 I1033 L1079 D1083 L1084 I1085 L1114	K1030-V1116 HydrophobicContact CB-CG2 4.34Å; K1030-V1116 HydrophobicContact CD-CG2 3.85Å; K1030-V1116 HydrophobicContact CG-CG2 4.32Å; K1030-V1116 PolarHBondContact N-O 3.05Å; I1033-V1116 HydrophobicContact CD1-CG2 3.63Å; L1079-V1116 HydrophobicContact CD1-CG1 3.81Å; L1079-V1116 HydrophobicContact CD1-CG2 4.38Å; D1083-V1116 HydrophobicContact CB-CB 4.11Å; D1083-V1116 HydrophobicContact CB-CG1 4.5Å; D1083-V1116 HydrophobicContact CB-CG2 4.26Å; L1084-V1116 WeakPolarHBondContact O-CA 3.35Å; L1084-V1116 WeakPolarHBondContact O-CB 3.2Å; I1085-V1116 HydrophobicContact CG1-CG1 4.3Å; L1114-V1116 HydrophobicContact CB-CG1 4.24Å
1117	A	88.6	Confident	82.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.9	167.5	0	0	0	0	0	108.6	V1026 N1028 L1084	V1026-A1117 HydrophobicContact CG1-CB 3.48Å; V1026-A1117 VanDerWaalsContact CG1-CB 3.48Å; N1028-A1117 WeakPolarHBondContact O-CB 3.03Å; L1084-A1117 WeakPolarHBondContact CB-O 3.36Å; L1084-A1117 PolarHBondContact N-O 3Å; L1084-A1117 PolarHBondContact O-N 3.23Å
1118	A	85.6	Confident	81.3	Confident	16 Å²	16	69.2 Å²	69.2	13%	0.132	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.3	174.3	0	0	0	0	0	109.3	D1120 Q1121	A1118-D1120 WeakPolarHBondContact CB-OD1 3.44Å; A1118-D1120 PolarHBondContact O-N 2.76Å; A1118-D1120 VanDerWaalsContact O-N 3.16Å; A1118-Q1121 HydrophobicContact CB-CG 4.4Å; A1118-Q1121 WeakPolarHBondContact O-CB 3.36Å; A1118-Q1121 PolarHBondContact O-N 3.12Å
1119	L	83.8	Confident	79.9	Confident	47 Å²	47	72 Å²	72	25%	0.246	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.8	-171.8	-176.7	65.8	0	0	0	113.2	I1064 D1082 Q1121 T1122 I1124	I1064-L1119 HydrophobicContact CD1-CD1 4.15Å; I1064-L1119 HydrophobicContact CD1-CD2 4.08Å; D1082-L1119 VanDerWaalsContact O-CB 3.27Å; D1082-L1119 WeakPolarHBondContact O-CB 3.46Å; D1082-L1119 PolarHBondContact O-N 3.39Å; D1082-L1119 VanDerWaalsContact O-N 3.09Å; L1119-Q1121 PolarHBondContact O-N 2.85Å; L1119-T1122 PolarHBondContact O-N 3.08Å; L1119-T1122 PolarHBondContact O-OG1 3.08Å; L1119-I1124 HydrophobicContact CD1-CB 4.3Å; L1119-I1124 HydrophobicContact CD1-CD1 4.19Å; L1119-I1124 HydrophobicContact CD1-CG2 4.44Å
1120	D	80.9	Confident	77.7	Confident	136 Å²	136	77.5 Å²	77.5	73%	0.727	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-67.9	-16.2	175.1	66.6	-33	0	0	0	114.2	A1118	A1118-D1120 WeakPolarHBondContact CB-OD1 3.44Å; A1118-D1120 PolarHBondContact O-N 2.76Å; A1118-D1120 VanDerWaalsContact O-N 3.16Å
1121	Q	79.2	Confident	75.1	Confident	75 Å²	75	83 Å²	83	35%	0.35	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-97.8	15.6	176.6	-59.8	176.4	24.6	0	0	112.7	V1027 A1118 L1119	V1027-Q1121 PolarHBondContact N-O 3.02Å; A1118-Q1121 HydrophobicContact CB-CG 4.4Å; A1118-Q1121 WeakPolarHBondContact O-CB 3.36Å; A1118-Q1121 PolarHBondContact O-N 3.12Å; L1119-Q1121 PolarHBondContact O-N 2.85Å
1122	T	82	Confident	72.6	Confident	18 Å²	18	79.2 Å²	79.2	11%	0.11	42%	0.42	C	S	.	.	S	Bend	trans	-113.5	166.7	177.4	76.8	0	0	0	0	111.3	L1084 L1119 I1124	L1084-T1122 HydrophobicContact CD2-CG2 3.79Å; L1119-T1122 PolarHBondContact O-N 3.08Å; L1119-T1122 PolarHBondContact O-OG1 3.08Å; T1122-I1124 PolarHBondContact O-N 2.91Å; T1122-I1124 WeakPolarHBondContact OG1-CB 3.17Å; T1122-I1124 WeakPolarHBondContact OG1-CG1 3.42Å; T1122-I1124 PolarHBondContact OG1-N 3.24Å
1123	T	80	Confident	69.7	Low	77 Å²	77	84.7 Å²	84.7	47%	0.472	45%	0.454	S	S	.	.	S	Bend	trans	-76.3	-0.7	173.1	52.4	0	0	0	0	113.8	K1125	T1123-K1125 PolarHBondContact O-N 3.3Å
1124	I	83.8	Confident	67.1	Low	40 Å²	40	88.9 Å²	88.9	21%	0.205	48%	0.479	C	S	.	.			trans	-80.8	117.6	-172.4	-53.5	167	0	0	0	109.8	V1024 V1051 L1084 L1119 T1122	V1024-I1124 HydrophobicContact CG1-CD1 4.34Å; V1024-I1124 HydrophobicContact CG1-CG1 4.28Å; V1051-I1124 HydrophobicContact CG1-CG1 4.21Å; V1051-I1124 HydrophobicContact CG1-CG2 4.14Å; V1051-I1124 HydrophobicContact CG2-CD1 4.28Å; V1051-I1124 HydrophobicContact CG2-CG2 4.24Å; L1084-I1124 HydrophobicContact CD2-CD1 4.03Å; L1119-I1124 HydrophobicContact CD1-CB 4.3Å; L1119-I1124 HydrophobicContact CD1-CD1 4.19Å; L1119-I1124 HydrophobicContact CD1-CG2 4.44Å; T1122-I1124 PolarHBondContact O-N 2.91Å; T1122-I1124 WeakPolarHBondContact OG1-CB 3.17Å; T1122-I1124 WeakPolarHBondContact OG1-CG1 3.42Å; T1122-I1124 PolarHBondContact OG1-N 3.24Å
1125	K	78.7	Confident	64.2	Low	183 Å²	183	95 Å²	95	80%	0.796	52%	0.517	S	S	*	.			trans	-104	132.3	178.6	-64.5	-178.6	-177.5	178.4	0	110.7	T1123 C1127	T1123-K1125 PolarHBondContact O-N 3.3Å; K1125-C1127 PolarHBondContact O-N 3.45Å
1126	K	75.5	Confident	61.5	Low	178 Å²	178	99.4 Å²	99.4	77%	0.774	54%	0.541	S	S	*	.			trans	-75.7	119.2	170.2	-174.1	-174.1	174.1	-159.5	0	109.2	D1128	K1126-D1128 VanDerWaalsContact CE-OD1 3.31Å; K1126-D1128 WeakPolarHBondContact CE-OD1 3.49Å; K1126-D1128 IonicContact NZ-OD1 3.69Å
1127	C	63.2	Low	58.6	Low	95 Å²	95	103.4 Å²	103.4	64%	0.642	57%	0.574	S	S	*	*			trans	-103.6	113.6	175.2	-67.5	0	0	0	0	110.5	K1125 G1129	K1125-C1127 PolarHBondContact O-N 3.45Å; C1127-G1129 PolarHBondContact O-N 2.85Å; C1127-G1129 VanDerWaalsContact O-N 3.09Å
1128	D	48.9	Very low	55.8	Low	139 Å²	139	115.6 Å²	115.6	74%	0.743	62%	0.62	S	S	*	*	S	Bend	trans	-79.9	89.9	176.3	-67.5	-40.9	0	0	0	110.7	K1126	K1126-D1128 VanDerWaalsContact CE-OD1 3.31Å; K1126-D1128 WeakPolarHBondContact CE-OD1 3.49Å; K1126-D1128 IonicContact NZ-OD1 3.69Å
1129	G	41.3	Very low	53.2	Low	62 Å²	62	122.4 Å²	122.4	64%	0.639	65%	0.652	S	S	*	*			trans	85.3	97	165.3	0	0	0	0	0	116.1	C1127 R1131	C1127-G1129 PolarHBondContact O-N 2.85Å; C1127-G1129 VanDerWaalsContact O-N 3.09Å; G1129-R1131 PolarHBondContact O-N 2.76Å
1130	F	33.7	Very low	50.6	Low	162 Å²	162	125.9 Å²	125.9	71%	0.711	68%	0.678	S	S	*	*			trans	-74.1	67.5	169	-125.3	-87.5	0	0	0	111.3	N1055 G1132	N1055-F1130 HydrophobicContact CB-CZ 4.46Å; F1130-G1132 PolarHBondContact O-N 3.18Å; F1130-G1132 VanDerWaalsContact O-N 3.08Å
1131	R	30.6	Very low	48.2	Very low	225 Å²	225	131 Å²	131	85%	0.849	69%	0.687	S	S	*	*			trans	-74	94.7	168.7	-90.1	-168.6	170.3	-165.2	-1.6	109.6	G1129 T1133	G1129-R1131 PolarHBondContact O-N 2.76Å; R1131-T1133 VanDerWaalsContact C-N 3.26Å; R1131-T1133 HydrophobicContact CB-CG2 4.41Å; R1131-T1133 PolarHBondContact O-N 3.4Å
1132	G	33.8	Very low	45.9	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	72%	0.715	S	S	*	*			trans	-66.2	77.6	170.4	0	0	0	0	0	112.3	F1130 T1134	F1130-G1132 PolarHBondContact O-N 3.18Å; F1130-G1132 VanDerWaalsContact O-N 3.08Å; G1132-T1134 PolarHBondContact O-N 2.63Å
1133	T	29.5	Very low	43.4	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	75%	0.745	S	S	*	*			trans	-83	105.2	179.5	51.4	0	0	0	0	111.9	R1131	R1131-T1133 VanDerWaalsContact C-N 3.26Å; R1131-T1133 HydrophobicContact CB-CG2 4.41Å; R1131-T1133 PolarHBondContact O-N 3.4Å
1134	T	35.3	Very low	41.1	Very low	138 Å²	138	144.6 Å²	144.6	85%	0.847	76%	0.761	S	S	*	*			trans	-122.4	106.7	161.8	29.5	0	0	0	0	110.5	G1132	G1132-T1134 PolarHBondContact O-N 2.63Å
1135	V	31.3	Very low	38.5	Very low	130 Å²	130	149.9 Å²	149.9	79%	0.788	78%	0.783	S	S	*	*			trans	-89	108.9	-178.9	175.2	0	0	0	0	110.5
1136	M	34.4	Very low	36.2	Very low	181 Å²	181	150.1 Å²	150.1	89%	0.892	78%	0.784	S	S	*	*			trans	-163.3	148.5	154	-73	-52.1	163.6	0	0	107.9
1137	A	31.3	Very low	34.2	Very low	84 Å²	84	150.2 Å²	150.2	69%	0.694	79%	0.787	S	S	*	*			cis	-158.1	152.6	-27.1	0	0	0	0	0	107.6	I1139	A1137-I1139 PolarHBondContact O-N 3.07Å
1138	R	28.2	Very low	32.6	Very low	255 Å²	255	152.7 Å²	152.7	96%	0.962	79%	0.786	S	S	*	*			trans	-71.1	124.4	-176.1	-66.9	174.4	176.6	153.8	-3.9	112.4
1139	I	32.5	Very low	31.8	Very low	159 Å²	159	153.4 Å²	153.4	82%	0.815	79%	0.789	S	S	*	*			trans	-134.5	134.5	161.2	-60.5	-176.3	0	0	0	108.3	A1137	A1137-I1139 PolarHBondContact O-N 3.07Å
1140	P	29.4	Very low	31.1	Very low	121 Å²	121	158.5 Å²	158.5	79%	0.786	80%	0.796	S	S	*	*			trans	-87.1	157.9	-171.2	33.9	-36.3	0	0	0	114.8
1141	R	30.4	Very low	31.1	Very low	243 Å²	243	161.2 Å²	161.2	92%	0.917	80%	0.802	S	S	*	*			trans	-53.4	135.3	175.2	-62.7	170.4	170.3	142.8	-5.2	113.3
1142	R	29.8	Very low	31	Very low	246 Å²	246	161.4 Å²	161.4	93%	0.928	80%	0.802	S	S	*	*			trans	-173.8	130.5	144.2	-110.5	165	-177.7	178.6	0.4	116.1
1143	A	29.7	Very low	30.8	Very low	90 Å²	90	162.6 Å²	162.6	74%	0.744	81%	0.805	S	S	*	*			trans	72.7	153.2	145.9	0	0	0	0	0	121.8
1144	C	32.3	Very low	31	Very low	120 Å²	120	162.7 Å²	162.7	81%	0.811	80%	0.799	S	S	*	*			trans	65.5	110.4	177.3	-56.4	0	0	0	0	114.1
1145	F	29.3	Very low	30.9	Very low	150 Å²	150	163 Å²	163	66%	0.658	79%	0.791	S	S	*	*			cis	60.7	124.8	30.2	-109.8	-70.6	0	0	0	113.8
1146	K	29.3	Very low	31	Very low	189 Å²	189	161.7 Å²	161.7	82%	0.822	78%	0.776	S	S	*	*			trans	72.9	105	-176.5	-52.2	174.4	-177.3	176.3	0	116.3
1147	H	35.1	Very low	30.8	Very low	180 Å²	180	161 Å²	161	83%	0.833	76%	0.763	S	S	*	*				-165.5	110.9	107.7	-115.7	-79.4	0	0	0	113.4
1148	K	29.6	Very low	30.9	Very low	147 Å²	147	164.6 Å²	164.6	64%	0.639	76%	0.764	S	S	*	*			trans	-82.3	157.2	153.9	-125	171.1	-175.9	171.5	0	107.8	T562	T562-K1148 PolarHBondContact OG1-NZ 3.39Å
1149	L	30.3	Very low	31.2	Very low	153 Å²	153	162 Å²	162	80%	0.801	76%	0.759	S	S	*	*			trans	56.5	108	-172.5	-80.2	71.5	0	0	0	114.7
1150	H	28.5	Very low	31.1	Very low	169 Å²	169	159 Å²	159	78%	0.782	76%	0.759	S	S	*	*				163.6	87.8	104.7	-166.6	77.2	0	0	0	110.9
1151	R	32.4	Very low	31.6	Very low	219 Å²	219	158.4 Å²	158.4	83%	0.826	76%	0.757	S	S	*	*			trans	-145.9	39.2	170.1	-138.6	175.2	-171.5	-176.2	1.6	115.4
1152	R	28.7	Very low	31.9	Very low	229 Å²	229	153.3 Å²	153.3	86%	0.864	75%	0.747	S	S	*	*	S	Bend	trans	-92.7	155.3	141.2	-70.9	178.8	174.9	159.4	-0.9	106.5
1153	A	30.6	Very low	32.4	Very low	96 Å²	96	151.8 Å²	151.8	79%	0.793	75%	0.748	S	S	*	*			trans	71.6	52.2	-172.4	0	0	0	0	0	116.5
1154	M	33.1	Very low	32.6	Very low	117 Å²	117	156.8 Å²	156.8	58%	0.576	75%	0.747	S	S	*	*			trans	-125.7	114.5	135	-82.1	-174	158.5	0	0	106.5	H1254	M1154-H1254 CarbonylContact C-O 3.53Å; M1154-H1254 WeakPolarHBondContact CA-O 3.46Å; M1154-H1254 HydrophobicContact CB-CB 4.34Å; M1154-H1254 WeakPolarHBondContact CB-O 3.32Å; M1154-H1254 HydrophobicContact CG-CB 4.19Å
1155	E	31.9	Very low	32.7	Very low	144 Å²	144	161.3 Å²	161.3	67%	0.673	75%	0.747	S	S	*	*			trans	-152.4	115.6	170.9	-174.4	179.5	-132.4	0	0	114.3	L1253 H1254	E1155-L1253 CarbonylContact O-C 3.55Å; E1155-L1253 WeakPolarHBondContact O-CA 3.31Å; E1155-L1253 PolarHBondContact O-N 3.4Å; E1155-H1254 CarbonylContact C-O 3.58Å; E1155-H1254 WeakPolarHBondContact CA-O 3.36Å; E1155-H1254 PolarHBondContact N-O 2.99Å; E1155-H1254 PolarHBondContact O-N 3.29Å
1156	H	34.1	Very low	33	Very low	104 Å²	104	162.3 Å²	162.3	48%	0.481	76%	0.759	S	S	.	*			trans	75.8	133.1	-177	24.7	-127.3	0	0	0	126.3	L1253 H1254	H1156-L1253 HydrophobicContact CB-CD2 3.76Å; H1156-L1253 CarbonylContact O-C 3.56Å; H1156-L1253 WeakPolarHBondContact O-CA 3.48Å; H1156-L1253 WeakPolarHBondContact O-CB 3.4Å; H1156-L1253 WeakPolarHBondContact O-CD2 3.48Å; H1156-H1254 VanDerWaalsContact C-CA 3.46Å; H1156-H1254 VanDerWaalsContact CA-C 3.48Å; H1156-H1254 WeakPolarHBondContact CA-OXT 3.48Å; H1156-H1254 PolarHBondContact N-O 3.37Å; H1156-H1254 PolarHBondContact N-OXT 3.42Å; H1156-H1254 CarbonylContact O-C 3.58Å; H1156-H1254 WeakPolarHBondContact O-CA 3.26Å; H1156-H1254 PolarHBondContact O-N 3.47Å
1157	R	30.8	Very low	33.1	Very low	165 Å²	165	158.8 Å²	158.8	62%	0.623	76%	0.758	S	S	*	*			trans	77.6	122.1	173.3	-74.1	178.7	177.1	153.4	-3.1	116.3	L1253 H1254	R1157-L1253 HydrophobicContact CB-CD2 4Å; R1157-L1253 VanDerWaalsContact CD-CD2 3.46Å; R1157-L1253 HydrophobicContact CG-CD2 3.57Å; R1157-L1253 VanDerWaalsContact NH1-CD1 3.29Å; R1157-H1254 PolarHBondContact N-OXT 2.86Å; R1157-H1254 PolarHBondContact O-CD2 3.18Å; R1157-H1254 PolarHBondContact O-NE2 2.85Å
1158	K	33.6	Very low	33	Very low	161 Å²	161	153.8 Å²	153.8	70%	0.7	76%	0.755	S	S	*	*			cis	-172.9	138.1	41.8	-131.3	168.2	-175.1	173.3	0	113.1
1159	K	33.6	Very low	33.2	Very low	200 Å²	200	155.1 Å²	155.1	87%	0.87	76%	0.761	S	S	*	*			trans	72.1	158	163.9	-52.1	173.6	179.5	178.2	0	117.6
1160	A	30.2	Very low	33.1	Very low	97 Å²	97	158.8 Å²	158.8	80%	0.802	76%	0.764	S	S	*	*			cis	-177.4	112.6	-43.1	0	0	0	0	0	111.7
1161	S	40.7	Very low	33	Very low	107 Å²	107	157.3 Å²	157.3	75%	0.748	77%	0.766	S	S	*	*			trans	-158.2	106.9	157.5	-171.7	0	0	0	0	106.8
1162	L	37.2	Very low	32.9	Very low	137 Å²	137	153 Å²	153	72%	0.717	77%	0.77	S	S	*	*				56	107	83.4	-57	173.6	0	0	0	109.8
1163	F	39.7	Very low	32.9	Very low	213 Å²	213	146.1 Å²	146.1	93%	0.934	76%	0.762	S	S	*	*			cis	-106.6	-178.7	33.5	-85.8	-99.9	0	0	0	117.3
1164	R	33.6	Very low	32.6	Very low	195 Å²	195	150.6 Å²	150.6	74%	0.736	77%	0.767	S	S	*	*			trans	-162.3	157.4	-172.5	-159.7	-159.5	-58.4	-172.7	3	110.8
1165	R	33.3	Very low	32.5	Very low	216 Å²	216	152.9 Å²	152.9	82%	0.815	78%	0.78	S	S	*	*			trans	78.8	149.9	173.3	-62.8	169.9	160.5	153.1	-10.2	113.2
1166	L	36.2	Very low	32.3	Very low	171 Å²	171	151.7 Å²	151.7	90%	0.895	79%	0.788	S	S	*	*			cis	-106.5	150.5	17.9	-72.8	163.2	0	0	0	116
1167	S	32.3	Very low	32.1	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	81%	0.807	S	S	*	*			trans	-147.5	130.9	161.9	179.5	0	0	0	0	108
1168	G	32.8	Very low	31.9	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	81%	0.813	S	S	*	*			trans	-174.7	102.1	-177.6	0	0	0	0	0	107.4
1169	K	33.2	Very low	31.9	Very low	175 Å²	175	143.5 Å²	143.5	76%	0.761	82%	0.819	S	S	*	*			cis	88	69.8	21	-152.5	-179.9	-175.2	174.8	0	115.5
1170	R	28.6	Very low	31.9	Very low	230 Å²	230	138.4 Å²	138.4	87%	0.868	81%	0.809	S	S	*	*			trans	74.1	161.8	155.5	-57.5	-177.8	176.7	176.8	-2.7	117.7
1171	V	26.3	Very low	32	Very low	137 Å²	137	141.2 Å²	141.2	83%	0.83	81%	0.81	S	S	*	*			trans	74.4	96.6	168.6	-165.5	0	0	0	0	116
1172	S	30.8	Very low	31.7	Very low	130 Å²	130	139.9 Å²	139.9	91%	0.909	81%	0.806	S	S	*	*				-154	95.3	128.9	-92	0	0	0	0	107.8
1173	A	28.2	Very low	31.6	Very low	84 Å²	84	140.5 Å²	140.5	69%	0.694	81%	0.809	S	S	*	*			trans	-115.5	145.5	166.3	0	0	0	0	0	107.7
1174	E	25.2	Very low	31.5	Very low	190 Å²	190	136 Å²	136	89%	0.888	80%	0.799	S	S	*	*			trans	69.8	159.3	174.1	-51.6	-174.7	141.5	0	0	116.7
1175	L	30.9	Very low	31.5	Very low	164 Å²	164	134.7 Å²	134.7	86%	0.859	80%	0.801	S	S	*	*			trans	70.7	85.8	-168	-54	173.3	0	0	0	113.9
1176	S	27.3	Very low	31.6	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	80%	0.795	S	S	*	*				77.5	106.3	57	-53.5	0	0	0	0	114.9
1177	G	28.9	Very low	31.5	Very low	86 Å²	86	127.9 Å²	127.9	89%	0.887	79%	0.789	S	S	*	*			trans	87.4	136.9	170.4	0	0	0	0	0	114.7
1178	G	28.1	Very low	31.5	Very low	72 Å²	72	129.4 Å²	129.4	74%	0.742	78%	0.783	S	S	*	*			cis	162.6	156.8	-6.5	0	0	0	0	0	112
1179	A	32.7	Very low	31.3	Very low	100 Å²	100	135.4 Å²	135.4	83%	0.826	78%	0.782	S	S	*	*			trans	65.1	150.2	177.6	0	0	0	0	0	116.6
1180	S	34.2	Very low	31.2	Very low	94 Å²	94	132.1 Å²	132.1	66%	0.657	78%	0.781	S	S	*	*			cis	-167.6	141.2	-18.1	-96.7	0	0	0	0	110.3
1181	N	32.1	Very low	31.5	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	78%	0.782	S	S	*	*			trans	51.6	148.6	146.6	-50.4	-21.8	0	0	0	119.9
1182	A	35.2	Very low	31.6	Very low	79 Å²	79	128 Å²	128	65%	0.653	78%	0.778	S	S	*	*			cis	-163	160.2	24.6	0	0	0	0	0	113.9
1183	L	35.2	Very low	31.8	Very low	150 Å²	150	126.4 Å²	126.4	79%	0.785	77%	0.767	S	S	*	*			trans	66.6	141.8	151.7	-69.7	163.3	0	0	0	118.3
1184	V	35.9	Very low	32.1	Very low	119 Å²	119	127.9 Å²	127.9	72%	0.721	77%	0.767	S	S	*	*			cis	-135.9	122	6.8	-171.8	0	0	0	0	107.6
1185	Q	34.6	Very low	32.5	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	77%	0.765	S	S	*	*				40.3	142.2	102.2	-60.1	-177.6	-9.5	0	0	116.6
1186	S	34.4	Very low	32.6	Very low	99 Å²	99	122 Å²	122	69%	0.692	76%	0.76	S	S	*	*			cis	-151.3	135.5	19.8	62.2	0	0	0	0	112.2
1187	L	34.8	Very low	33	Very low	146 Å²	146	124 Å²	124	76%	0.764	76%	0.76	S	S	*	*				64	145.9	98	-60.6	172.2	0	0	0	117.5
1188	H	31.7	Very low	33.3	Very low	146 Å²	146	125.6 Å²	125.6	68%	0.676	76%	0.757	S	S	*	*			cis	-172.9	150	-27.4	-145.2	-151.2	0	0	0	111.5
1189	R	30.2	Very low	33.6	Very low	201 Å²	201	126.3 Å²	126.3	76%	0.758	76%	0.755	S	S	*	*			trans	32.6	121.9	150	-66.4	-177.7	-176.2	-131.6	-2.6	123.6
1190	S	29.8	Very low	33.7	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	76%	0.757	S	S	*	*				48.2	133.2	113.8	-41.8	0	0	0	0	123.1
1191	I	35.2	Very low	33.7	Very low	174 Å²	174	127.6 Å²	127.6	89%	0.892	76%	0.755	S	S	*	*			trans	152.4	161.2	134.1	-78.6	161.1	0	0	0	111.6
1192	S	28.4	Very low	33.9	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	76%	0.755	S	S	*	*			trans	-88.4	176.5	-165.1	-167	0	0	0	0	116.2
1193	S	35.4	Very low	33.9	Very low	97 Å²	97	127.7 Å²	127.7	68%	0.678	76%	0.758	S	S	*	*			trans	102.7	117.4	145.8	67.1	0	0	0	0	122.2
1194	T	34.3	Very low	33.9	Very low	115 Å²	115	125.5 Å²	125.5	71%	0.706	76%	0.756	S	S	*	*			trans	73.9	117.9	135.2	50	0	0	0	0	123.6
1195	D	33.6	Very low	33.7	Very low	158 Å²	158	125 Å²	125	85%	0.845	76%	0.757	S	S	*	*				85.3	131.4	128.6	-57.7	-8.6	0	0	0	123.3
1196	G	33.8	Very low	33.6	Very low	72 Å²	72	124.1 Å²	124.1	74%	0.742	76%	0.763	S	S	*	*			trans	107.9	128.5	159.9	0	0	0	0	0	116.7
1197	L	35.4	Very low	33.3	Very low	160 Å²	160	125 Å²	125	84%	0.838	77%	0.766	S	S	*	*			cis	-175.6	143	-25.2	-118.4	167.5	0	0	0	108
1198	C	33.7	Very low	33.1	Very low	120 Å²	120	124.2 Å²	124.2	81%	0.811	77%	0.772	S	S	*	*			trans	63.5	159	166.7	-62.5	0	0	0	0	118.3
1199	A	35.4	Very low	32.9	Very low	87 Å²	87	124.9 Å²	124.9	72%	0.719	78%	0.779	S	S	*	*			cis	-177.3	157.7	-25	0	0	0	0	0	106.5
1200	D	34.6	Very low	32.8	Very low	160 Å²	160	124.5 Å²	124.5	86%	0.856	78%	0.784	S	S	*	*			cis	-154.2	-174.1	-3.5	-148.7	-80.5	0	0	0	108.8
1201	G	34.9	Very low	32.5	Very low	61 Å²	61	125.3 Å²	125.3	63%	0.629	79%	0.789	S	S	*	*			trans	148.4	86.5	163.9	0	0	0	0	0	118.1
1202	T	35.5	Very low	32.3	Very low	134 Å²	134	121.6 Å²	121.6	82%	0.822	78%	0.778	S	S	*	*			trans	-2.6	142.1	147.5	56.2	0	0	0	0	118.9
1203	S	35.6	Very low	32.1	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	78%	0.779	S	S	*	*			cis	-164.7	162.9	24.9	50.6	0	0	0	0	114.3
1204	S	34.6	Very low	32	Very low	104 Å²	104	126 Å²	126	73%	0.727	79%	0.786	S	S	*	*			trans	54	119	159.7	60.1	0	0	0	0	119.6
1205	S	31.7	Very low	31.9	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	79%	0.791	S	S	*	*			cis	104.1	79	17.7	83	0	0	0	0	117.4
1206	V	32.5	Very low	31.7	Very low	148 Å²	148	130.1 Å²	130.1	90%	0.897	79%	0.792	S	S	*	*			trans	-146.8	117.4	142.7	-172.6	0	0	0	0	110.1
1207	P	29.3	Very low	31.6	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	80%	0.796	S	S	*	*			trans	-130.1	146.1	162.7	37.3	-24.8	0	0	0	112.8
1208	C	29.6	Very low	31.4	Very low	131 Å²	131	129.6 Å²	129.6	89%	0.885	80%	0.797	S	S	*	*			trans	-146.2	135.6	164.9	-106.7	0	0	0	0	111.7
1209	L	28.4	Very low	31.5	Very low	160 Å²	160	129 Å²	129	84%	0.838	80%	0.795	S	S	*	*			trans	-105	156.1	177.1	-73.2	156.9	0	0	0	109.8
1210	F	27.3	Very low	31.4	Very low	193 Å²	193	131.1 Å²	131.1	85%	0.846	80%	0.798	S	S	*	*			trans	-129.8	108.3	150.5	-96.5	-77.6	0	0	0	111.3
1211	S	23.1	Very low	31.4	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	80%	0.798	S	S	*	*			trans	-143.7	120.8	157.2	-81	0	0	0	0	106.2
1212	S	30.6	Very low	31.3	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	81%	0.81	S	S	*	*			trans	-144.5	119.2	-179.9	48	0	0	0	0	110.1
1213	S	25.9	Very low	31.2	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	81%	0.809	S	S	*	*			trans	-101.5	132.6	-178.5	53	0	0	0	0	111.3
1214	F	31.5	Very low	30.9	Very low	188 Å²	188	129.5 Å²	129.5	83%	0.825	81%	0.814	S	S	*	*			trans	-140.2	149.4	157.9	-67.1	-82.2	0	0	0	106.7
1215	H	32.4	Very low	30.8	Very low	175 Å²	175	130 Å²	130	81%	0.81	82%	0.815	S	S	*	*			cis	-143.6	158.5	17.6	-146.2	-78.6	0	0	0	111.1
1216	E	29.5	Very low	30.8	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	82%	0.818	S	S	*	*			trans	-75.9	153.4	176.4	-66.4	177.1	101.6	0	0	113.5
1217	G	33	Very low	30.8	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	81%	0.811	S	S	*	*			trans	-166.4	100.3	171.1	0	0	0	0	0	111.9
1218	T	31	Very low	31	Very low	142 Å²	142	130.6 Å²	130.6	87%	0.871	81%	0.811	S	S	*	*			trans	-97	129.8	-168.9	27	0	0	0	0	114.3
1219	S	35.1	Very low	31.1	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	81%	0.813	S	S	*	*			trans	-158.9	109.2	141.4	-163.9	0	0	0	0	114.5
1220	T	33.3	Very low	31.1	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	81%	0.809	S	S	*	*			trans	16	136.3	137.9	7.4	0	0	0	0	123.5
1221	A	35	Very low	31.6	Very low	103 Å²	103	127.3 Å²	127.3	85%	0.851	81%	0.81	S	S	*	*			trans	70.3	145.9	155	0	0	0	0	0	118.8
1222	G	31.5	Very low	31.9	Very low	85 Å²	85	126 Å²	126	88%	0.876	80%	0.8	S	S	*	*			cis	148.6	108.6	-8.4	0	0	0	0	0	113.5
1223	G	33.7	Very low	31.9	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	81%	0.809	S	S	*	*			trans	-174.8	141.5	177.1	0	0	0	0	0	113.6
1224	I	30.3	Very low	32.1	Very low	160 Å²	160	134.5 Å²	134.5	82%	0.821	82%	0.817	S	S	*	*			trans	-136.8	127.3	-174.2	-59.8	170.9	0	0	0	110.2
1225	C	31.2	Very low	32	Very low	113 Å²	113	133.1 Å²	133.1	76%	0.764	81%	0.813	S	S	*	*			trans	167.3	125	147.9	-90.3	0	0	0	0	108
1226	K	33.1	Very low	32.2	Very low	184 Å²	184	131 Å²	131	80%	0.8	82%	0.818	S	S	*	*				93.5	120.1	57	-84.9	-172.9	175	-179.4	0	114.1
1227	S	32.6	Very low	32.2	Very low	110 Å²	110	128 Å²	128	77%	0.769	81%	0.812	S	S	*	*			trans	66.2	106.8	145.6	57.5	0	0	0	0	122.7
1228	A	32.2	Very low	32.3	Very low	91 Å²	91	131.1 Å²	131.1	75%	0.752	81%	0.809	S	S	*	*				99.2	151	107.9	0	0	0	0	0	122.5
1229	L	32.7	Very low	32.5	Very low	175 Å²	175	132.1 Å²	132.1	92%	0.916	80%	0.804	S	S	*	*			trans	82.5	138.3	159.6	-68.4	161.1	0	0	0	120.9
1230	S	27.7	Very low	32.5	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	79%	0.794	S	S	*	*			trans	-78.1	170.1	168.6	-30.5	0	0	0	0	111.3
1231	P	37.2	Very low	32.7	Very low	133 Å²	133	132.9 Å²	132.9	86%	0.864	80%	0.795	S	S	*	*				-151.7	-154.2	79.9	42.3	-21.7	0	0	0	114.7
1232	S	30.6	Very low	32.7	Very low	94 Å²	94	132.3 Å²	132.3	66%	0.657	78%	0.784	S	S	*	*			trans	-115.3	156.5	-162.3	57.6	0	0	0	0	115.8
1233	M	29.9	Very low	32.9	Very low	175 Å²	175	133.7 Å²	133.7	86%	0.862	78%	0.781	S	S	*	*			trans	61.4	136.8	156.9	-67.4	-167	-66.6	0	0	120
1234	F	31.3	Very low	33	Very low	210 Å²	210	134.8 Å²	134.8	92%	0.921	78%	0.776	S	S	*	*			trans	-153.1	154.6	132.2	-128.6	-84.2	0	0	0	111.5
1235	E	28.6	Very low	33.4	Very low	159 Å²	159	133 Å²	133	74%	0.743	78%	0.778	S	S	*	*			trans	-89.3	170.4	-177.2	-63.7	172	92.7	0	0	113.6
1236	S	35.7	Very low	33.6	Very low	130 Å²	130	130.9 Å²	130.9	91%	0.909	78%	0.775	S	S	*	*			trans	-148.5	131.4	151.8	-75.7	0	0	0	0	110.7
1237	T	30.5	Very low	33.8	Very low	120 Å²	120	128 Å²	128	74%	0.736	78%	0.778	S	S	*	*			trans	-106.1	151	-165	-43.4	0	0	0	0	112.6
1238	L	36.1	Very low	34	Very low	146 Å²	146	127.4 Å²	127.4	76%	0.764	77%	0.774	S	S	*	*			trans	-165.8	113	146.1	-95.1	167.2	0	0	0	106.9
1239	Q	34.4	Very low	34.1	Very low	162 Å²	162	134.8 Å²	134.8	76%	0.757	78%	0.782	S	S	*	*				61.2	137.7	95	-67.3	-177.7	14	0	0	115.5
1240	S	34.9	Very low	34.3	Very low	80 Å²	80	131.7 Å²	131.7	56%	0.559	77%	0.773	S	S	*	*			cis	-176.3	163.2	-9.6	49.1	0	0	0	0	111.5
1241	H	37.6	Very low	34.5	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.806	77%	0.771	S	S	*	*			trans	67.6	159	164.8	-54.5	-65.2	0	0	0	118.8
1242	S	34.8	Very low	34.4	Very low	91 Å²	91	129 Å²	129	64%	0.636	76%	0.756	S	S	*	*			cis	-174.2	144.1	-38.8	54.5	0	0	0	0	111.5
1243	S	35	Very low	34.3	Very low	114 Å²	114	128.1 Å²	128.1	80%	0.797	74%	0.743	S	S	*	*			trans	61.5	158.2	162.1	30.3	0	0	0	0	117.9
1244	S	36.3	Very low	34.4	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	73%	0.728	S	S	*	*			cis	-165.6	155.5	-10.3	43.1	0	0	0	0	110.9
1245	S	38.7	Very low	34.5	Very low	124 Å²	124	121.1 Å²	121.1	87%	0.867	72%	0.718	S	S	*	*			trans	60.1	141.3	161.8	59	0	0	0	0	119.1
1246	G	36	Very low	34.8	Very low	68 Å²	68	119.1 Å²	119.1	70%	0.701	72%	0.717	S	S	*	*			cis	171	170.1	-3.9	0	0	0	0	0	112.6
1247	S	36.4	Very low	34.8	Very low	123 Å²	123	118.4 Å²	118.4	86%	0.86	71%	0.706	S	S	*	*			trans	64	147.8	179.8	-79.1	0	0	0	0	117.7
1248	S	38.3	Very low	35	Very low	98 Å²	98	118.4 Å²	118.4	69%	0.685	70%	0.704	S	S	*	*			cis	-164.8	115.3	-21	48.4	0	0	0	0	113.5
1249	R	33.3	Very low	35	Very low	246 Å²	246	116.6 Å²	116.6	93%	0.928	70%	0.701	S	S	*	*			trans	68.5	159.3	142.3	-78.9	-171.2	172.5	-168.9	-2	119.2
1250	P	37.2	Very low	35	Very low	109 Å²	109	113.6 Å²	113.6	71%	0.708	70%	0.697	S	S	*	*			trans	-138.1	-147.8	-137	39.2	-15.9	0	0	0	113.7
1251	C	33	Very low	35	Very low	106 Å²	106	116 Å²	116	72%	0.716	71%	0.707	S	S	*	*			trans	84.7	84.7	164	-62.5	0	0	0	0	118.6
1252	S	33.4	Very low	34.8	Very low	80 Å²	80	111.5 Å²	111.5	56%	0.559	70%	0.699	S	S	*	*				51.6	145.2	105.5	73.6	0	0	0	0	121.4
1253	L	29.5	Very low	34.8	Very low	74 Å²	74	113.3 Å²	113.3	39%	0.387	70%	0.704	S	S	.	*			trans	102.4	86.4	150.8	-55.8	151	0	0	0	119.9	E1155 H1156 R1157	E1155-L1253 CarbonylContact O-C 3.55Å; E1155-L1253 WeakPolarHBondContact O-CA 3.31Å; E1155-L1253 PolarHBondContact O-N 3.4Å; H1156-L1253 HydrophobicContact CB-CD2 3.76Å; H1156-L1253 CarbonylContact O-C 3.56Å; H1156-L1253 WeakPolarHBondContact O-CA 3.48Å; H1156-L1253 WeakPolarHBondContact O-CB 3.4Å; H1156-L1253 WeakPolarHBondContact O-CD2 3.48Å; R1157-L1253 HydrophobicContact CB-CD2 4Å; R1157-L1253 VanDerWaalsContact CD-CD2 3.46Å; R1157-L1253 HydrophobicContact CG-CD2 3.57Å; R1157-L1253 VanDerWaalsContact NH1-CD1 3.29Å
1254	H	30.9	Very low	34.8	Very low	116 Å²	116	113.2 Å²	113.2	54%	0.537	70%	0.696	S	S	.	*				-148.8	0	129.1	-174	-76.1	0	0	0	117.1	M1154 E1155 H1156 R1157	M1154-H1254 CarbonylContact C-O 3.53Å; M1154-H1254 WeakPolarHBondContact CA-O 3.46Å; M1154-H1254 HydrophobicContact CB-CB 4.34Å; M1154-H1254 WeakPolarHBondContact CB-O 3.32Å; M1154-H1254 HydrophobicContact CG-CB 4.19Å; E1155-H1254 CarbonylContact C-O 3.58Å; E1155-H1254 WeakPolarHBondContact CA-O 3.36Å; E1155-H1254 PolarHBondContact N-O 2.99Å; E1155-H1254 PolarHBondContact O-N 3.29Å; H1156-H1254 VanDerWaalsContact C-CA 3.46Å; H1156-H1254 VanDerWaalsContact CA-C 3.48Å; H1156-H1254 WeakPolarHBondContact CA-OXT 3.48Å; H1156-H1254 PolarHBondContact N-O 3.37Å; H1156-H1254 PolarHBondContact N-OXT 3.42Å; H1156-H1254 CarbonylContact O-C 3.58Å; H1156-H1254 WeakPolarHBondContact O-CA 3.26Å; H1156-H1254 PolarHBondContact O-N 3.47Å; R1157-H1254 PolarHBondContact N-OXT 2.86Å; R1157-H1254 PolarHBondContact O-CD2 3.18Å; R1157-H1254 PolarHBondContact O-NE2 2.85Å

Retrieved 1,254 of 1,254 residues in 183.5 ms (Link to these results)

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