A0A087X241_HUMAN Loading...

Small G protein signaling modulator 1

AlphaFold DB , UniProt , Accession A0A087X241, Species HUMAN (Homo sapiens, Human), Gene SGSM1, Length 1,087 aa.

						>A0A087X241_HUMAN|A0A087X241|SGSM1
MASAPAEAETRQRLLRTVKKEVKQIMEEAVTRKFVHEDSSHIISFCAAVEACVLHGLRRRAAGFLRSNKIAALFMKVGKNFPPAEDLSRKVQDLEQLIESARNQIQGLQENVRKLPKLPNLSPLAIKHLWIRTALFEKVLDKIVHYLVENSSKYYEKEALLMDPVDGPILASLLVGPCALEYTKMKTADHFWTDPSADELVQRHRIHSSHVRQDSPTKRPALCIQKRHSSGSMDDRPSLSARDYVESLHQNSRATLLYGKNNVLVQPRDDMEAVPGYLSLHQTADVMTLKWTPNQLMNGSVGDLDYEKSVYWDYAMTIRLEEIVYLHCHQQVDSGGTVVLVSQDGIQRPPFRFPKGGHLLQFLSCLENGLLPHGQLDPPLWSQRGKGKVFPKLRKRSPQGSAESTSSDKDDDEATDYVFRIIYPGMQSEFVAPDFLGSTSSVSVGPAWMMVPAGRSMLVVARGSQWEPARWDTTLPTPSPKEQPPMPQDLMDVSVSNLPSLWQPSPRKSSCSSCSQSGSADGSSTNGCNHERAPLKLLCDNMKYQILSRAFYGWLAYCRHLSTVRTHLSALVNHMIVSPDLPCDAGQGLTARIWEQYLHDSTSYEEQELLRLIYYGGIQPEIRKAVWPFLLGHYQFGMTETERKESSQSCSSGRQNIRLHSDSSSSTQVFESVDEVEQVEAEGRLEEKQPKIPNGNLVNGTCSPDSGHPSSHNFSSGLSEHSEPSLSTEDSVLDAQRNTPTVLRPRDGSVDDRQSSEATTSQDEAPREELAVQDSLESDLLANESMDEFMSITGSLDMALPEKDDVVMEGWRSSETEKHGQADSEDNLSEEPEMESLFPALASLAVTTSANEVSPVSSSGVTYSPELLDLYTVNLHRIEKDVQRCDRNYWYFTPANLEKLRNIMCSYIWQHIEIGYVQGMCDLLAPLLVILDDEALAFSCFTELMKRMNQNFPHGGAMDTHFANMRSLIQILDSELFELMHQNGDYTHFYFCYRWFLLDFKRELVYDDVFLVWETIWAAKHVSSAHYVLFIALALVEVYRDIILENNMDFTDIIKFFNEMAERHNTKQVLKLARDLVYKVQTLIENK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	62.5	Low	234 Å²	234	85.8 Å²	85.8	100%	1.153	52%	0.523	S	S	*	.				0	3.9	0	-78.5	171	160.9	0	0	114.1
2	A	37.6	Very low	64.2	Low	98 Å²	98	84.6 Å²	84.6	81%	0.81	51%	0.507	S	S	*	.			trans	-87.2	-0.7	-171.8	0	0	0	0	0	116.8
3	S	45.6	Very low	66	Low	66 Å²	66	91.2 Å²	91.2	46%	0.462	52%	0.517	S	S	.	.	S	Bend	trans	-87.8	-38.6	-175.8	65.7	0	0	0	0	114	P5 A6 E7	S3-P5 VanDerWaalsContact C-CD 3.45Å; S3-P5 VanDerWaalsContact O-N 3.17Å; S3-A6 PolarHBondContact O-N 2.98Å; S3-E7 WeakPolarHBondContact CB-OE2 3.41Å; S3-E7 PolarHBondContact O-N 2.72Å; S3-E7 PolarHBondContact OG-OE2 3.08Å
4	A	50.6	Low	67.6	Low	60 Å²	60	86.9 Å²	86.9	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-48	-43.7	-171	0	0	0	0	0	116.4	A6 E7 A8	A4-A6 PolarHBondContact O-N 2.76Å; A4-E7 WeakPolarHBondContact CA-OE2 3.24Å; A4-E7 PolarHBondContact N-OE2 2.98Å; A4-E7 PolarHBondContact O-N 2.81Å; A4-A8 PolarHBondContact O-N 3.1Å
5	P	54.3	Low	68.7	Low	92 Å²	92	81.2 Å²	81.2	60%	0.597	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-38.9	179.9	24.1	-33.3	0	0	0	112.9	S3 E7 A8 E9	S3-P5 VanDerWaalsContact C-CD 3.45Å; S3-P5 VanDerWaalsContact O-N 3.17Å; P5-E7 VanDerWaalsContact C-N 3.35Å; P5-A8 PolarHBondContact O-N 2.8Å; P5-E9 WeakPolarHBondContact O-CB 3.29Å; P5-E9 PolarHBondContact O-N 3.38Å
6	A	64.3	Low	69.6	Low	53 Å²	53	84.9 Å²	84.9	44%	0.438	46%	0.464	S	S	.	.	H	α-helix	trans	-71.4	-31.8	178.1	0	0	0	0	0	112.2	S3 A4 T10	S3-A6 PolarHBondContact O-N 2.98Å; A4-A6 PolarHBondContact O-N 2.76Å; A6-T10 WeakPolarHBondContact O-CB 3.43Å; A6-T10 PolarHBondContact O-N 2.82Å; A6-T10 PolarHBondContact O-OG1 3.11Å
7	E	71.1	Confident	70.6	Confident	70 Å²	70	83.6 Å²	83.6	33%	0.327	46%	0.459	S	S	.	.	H	α-helix	trans	-69.3	-42.3	175.2	-69.7	162	151.6	0	0	110.6	S3 A4 P5 T10 R11	S3-E7 WeakPolarHBondContact CB-OE2 3.41Å; S3-E7 PolarHBondContact O-N 2.72Å; S3-E7 PolarHBondContact OG-OE2 3.08Å; A4-E7 WeakPolarHBondContact CA-OE2 3.24Å; A4-E7 PolarHBondContact N-OE2 2.98Å; A4-E7 PolarHBondContact O-N 2.81Å; P5-E7 VanDerWaalsContact C-N 3.35Å; E7-T10 PolarHBondContact O-N 3.45Å; E7-R11 WeakPolarHBondContact O-CG 3.44Å; E7-R11 PolarHBondContact O-N 2.75Å; E7-R11 VanDerWaalsContact O-N 3.15Å
8	A	72.8	Confident	71.6	Confident	41 Å²	41	78.9 Å²	78.9	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-46.4	171.7	0	0	0	0	0	112.6	A4 P5 T10 R11 Q12	A4-A8 PolarHBondContact O-N 3.1Å; P5-A8 PolarHBondContact O-N 2.8Å; A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 3.15Å; A8-R11 PolarHBondContact O-N 3.34Å; A8-Q12 PolarHBondContact O-N 3.26Å
9	E	78.8	Confident	72.2	Confident	122 Å²	122	79.8 Å²	79.8	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-59	-42.4	176.8	-165	-162.1	155.2	0	0	111.6	P5 Q12 R13	P5-E9 WeakPolarHBondContact O-CB 3.29Å; P5-E9 PolarHBondContact O-N 3.38Å; E9-Q12 PolarHBondContact O-N 3.37Å; E9-R13 WeakPolarHBondContact O-CB 3.08Å; E9-R13 PolarHBondContact O-N 3.46Å
10	T	85.3	Confident	72.7	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-45.2	178.8	-61.7	0	0	0	0	111.9	A6 E7 A8 R13 L14	A6-T10 WeakPolarHBondContact O-CB 3.43Å; A6-T10 PolarHBondContact O-N 2.82Å; A6-T10 PolarHBondContact O-OG1 3.11Å; E7-T10 PolarHBondContact O-N 3.45Å; A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 3.15Å; T10-R13 PolarHBondContact O-N 3.45Å; T10-L14 HydrophobicContact CG2-CD1 4.45Å; T10-L14 WeakPolarHBondContact O-CG 3.03Å; T10-L14 PolarHBondContact O-N 2.89Å
11	R	85.1	Confident	73.5	Confident	44 Å²	44	78.1 Å²	78.1	17%	0.166	42%	0.418	C	S	.	.	H	α-helix	trans	-63.1	-46	176.2	-65.2	-179.8	-52.1	159.9	21.5	111.2	E7 A8 R13 L14 L15 L160 D163	E7-R11 WeakPolarHBondContact O-CG 3.44Å; E7-R11 PolarHBondContact O-N 2.75Å; E7-R11 VanDerWaalsContact O-N 3.15Å; A8-R11 PolarHBondContact O-N 3.34Å; R11-R13 VanDerWaalsContact C-N 3.3Å; R11-R13 PolarHBondContact O-N 3.14Å; R11-L14 PolarHBondContact O-N 3.05Å; R11-L15 PolarHBondContact O-N 2.97Å; R11-L160 HydrophobicContact CG-CB 4.49Å; R11-D163 IonicContact CZ-OD2 2.78Å; R11-D163 VanDerWaalsContact CZ-OD2 3.28Å; R11-D163 IonicContact NH1-OD2 3.13Å; R11-D163 PolarHBondContact NH1-OD2 2.84Å; R11-D163 IonicContact NH2-OD2 3.61Å; R11-D163 PolarHBondContact NH2-OD2 3.33Å; R11-D163 VanDerWaalsContact NH2-OD2 3.15Å
12	Q	82.9	Confident	75.6	Confident	71 Å²	71	67.8 Å²	67.8	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-30.7	176.5	-72.6	-57.3	-40.5	0	0	113.4	A8 E9 R16 D166	A8-Q12 PolarHBondContact O-N 3.26Å; E9-Q12 PolarHBondContact O-N 3.37Å; Q12-R16 VanDerWaalsContact O-CB 3.3Å; Q12-R16 WeakPolarHBondContact O-CB 3.19Å; Q12-R16 VanDerWaalsContact O-CG 3.28Å; Q12-R16 WeakPolarHBondContact O-CG 3.37Å; Q12-R16 PolarHBondContact O-N 2.95Å; Q12-R16 PolarHBondContact O-NE 3.28Å; Q12-D166 VanDerWaalsContact NE2-CG 3.31Å; Q12-D166 PolarHBondContact NE2-OD1 2.95Å; Q12-D166 PolarHBondContact NE2-OD2 3.47Å
13	R	87.6	Confident	77.6	Confident	171 Å²	171	68.4 Å²	68.4	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-68.1	-46.9	173.8	-178.9	176.5	177.7	167	0.3	111.4	E9 T10 R11 R16 T17	E9-R13 WeakPolarHBondContact O-CB 3.08Å; E9-R13 PolarHBondContact O-N 3.46Å; T10-R13 PolarHBondContact O-N 3.45Å; R11-R13 VanDerWaalsContact C-N 3.3Å; R11-R13 PolarHBondContact O-N 3.14Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-T17 PolarHBondContact O-N 2.97Å; R13-T17 PolarHBondContact O-OG1 3.06Å; R13-T17 VanDerWaalsContact O-OG1 3.12Å
14	L	89.3	Confident	79.2	Confident	31 Å²	31	68 Å²	68	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-46.8	175.5	-74.2	170.4	0	0	0	111.6	T10 R11 R16 T17 V18 A51 H55 L160	T10-L14 HydrophobicContact CG2-CD1 4.45Å; T10-L14 WeakPolarHBondContact O-CG 3.03Å; T10-L14 PolarHBondContact O-N 2.89Å; R11-L14 PolarHBondContact O-N 3.05Å; L14-R16 PolarHBondContact O-N 3.12Å; L14-T17 WeakPolarHBondContact O-CB 3.09Å; L14-T17 PolarHBondContact O-N 2.82Å; L14-V18 PolarHBondContact O-N 2.91Å; L14-A51 HydrophobicContact CD2-CB 3.87Å; L14-H55 HydrophobicContact CD1-CB 3.91Å; L14-L160 HydrophobicContact CB-CD1 3.82Å; L14-L160 HydrophobicContact CD1-CD1 4.2Å
15	L	83.7	Confident	80.8	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-40.2	178.5	-161.5	75.7	0	0	0	112.1	R11 T17 V18 K19 D166 I169 L170 L173	R11-L15 PolarHBondContact O-N 2.97Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 3.1Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.29Å; L15-K19 PolarHBondContact O-N 3.05Å; L15-D166 WeakPolarHBondContact CD2-OD1 3.35Å; L15-I169 HydrophobicContact CD1-CG2 4.18Å; L15-I169 HydrophobicContact CD2-CG2 4.06Å; L15-L170 HydrophobicContact CD1-CB 4.25Å; L15-L170 HydrophobicContact CD1-CD1 4.48Å; L15-L173 HydrophobicContact CD1-CD1 4.17Å
16	R	82.3	Confident	81.9	Confident	141 Å²	141	61.8 Å²	61.8	53%	0.532	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-40.1	171.7	-82.7	175.5	-79.8	168.1	-6.9	112.3	Q12 R13 L14 K20	Q12-R16 VanDerWaalsContact O-CB 3.3Å; Q12-R16 WeakPolarHBondContact O-CB 3.19Å; Q12-R16 VanDerWaalsContact O-CG 3.28Å; Q12-R16 WeakPolarHBondContact O-CG 3.37Å; Q12-R16 PolarHBondContact O-N 2.95Å; Q12-R16 PolarHBondContact O-NE 3.28Å; R13-R16 PolarHBondContact O-N 2.87Å; L14-R16 PolarHBondContact O-N 3.12Å; R16-K20 PolarHBondContact O-N 3.37Å; R16-K20 VanDerWaalsContact O-N 3.09Å
17	T	87.6	Confident	82.3	Confident	62 Å²	62	62.1 Å²	62.1	38%	0.38	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-49.4	174.1	-54.7	0	0	0	0	111.4	R13 L14 L15 K19 K20 E21 A48	R13-T17 PolarHBondContact O-N 2.97Å; R13-T17 PolarHBondContact O-OG1 3.06Å; R13-T17 VanDerWaalsContact O-OG1 3.12Å; L14-T17 WeakPolarHBondContact O-CB 3.09Å; L14-T17 PolarHBondContact O-N 2.82Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.87Å; T17-K19 PolarHBondContact O-N 2.87Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.67Å; T17-E21 HydrophobicContact CG2-CG 4.44Å; T17-E21 WeakPolarHBondContact O-CG 3.28Å; T17-E21 PolarHBondContact O-N 3.04Å; T17-A48 HydrophobicContact CG2-CB 3.87Å
18	V	89.1	Confident	82.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-41.8	178.8	177	0	0	0	0	111.8	L14 L15 K20 E21 V22 A48 V49 C52 L170	L14-V18 PolarHBondContact O-N 2.91Å; L15-V18 PolarHBondContact O-N 3.1Å; V18-K20 VanDerWaalsContact C-N 3.27Å; V18-K20 PolarHBondContact O-N 3.18Å; V18-E21 PolarHBondContact O-N 3.15Å; V18-V22 HydrophobicContact CG1-CG2 3.88Å; V18-V22 WeakPolarHBondContact O-CB 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.48Å; V18-V22 PolarHBondContact O-N 2.73Å; V18-A48 HydrophobicContact CG2-CB 3.9Å; V18-V49 HydrophobicContact CG1-CG2 4.43Å; V18-V49 HydrophobicContact CG2-CG2 4.47Å; V18-C52 WeakPolarHBondContact CG2-SG 3.38Å; V18-L170 HydrophobicContact CB-CD1 4.06Å; V18-L170 HydrophobicContact CG1-CD1 3.79Å; V18-L170 HydrophobicContact CG2-CD1 3.95Å
19	K	81.3	Confident	82.4	Confident	95 Å²	95	58.1 Å²	58.1	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-54.6	-42	174	-75.1	174.5	177.9	179.7	0	112.1	L15 T17 K23 L173	L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.29Å; L15-K19 PolarHBondContact O-N 3.05Å; T17-K19 PolarHBondContact O-N 2.87Å; K19-K23 WeakPolarHBondContact O-CB 3.46Å; K19-K23 PolarHBondContact O-N 2.84Å; K19-K23 VanDerWaalsContact O-N 3.1Å; K19-L173 HydrophobicContact CG-CD1 3.66Å; K19-L173 HydrophobicContact CG-CD2 4.14Å
20	K	83.7	Confident	81.4	Confident	112 Å²	112	54.5 Å²	54.5	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-50.4	175.5	178.9	-179.1	167.2	-88.5	0	112.5	R16 T17 V18 K23 Q24	R16-K20 PolarHBondContact O-N 3.37Å; R16-K20 VanDerWaalsContact O-N 3.09Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.67Å; V18-K20 VanDerWaalsContact C-N 3.27Å; V18-K20 PolarHBondContact O-N 3.18Å; K20-K23 WeakPolarHBondContact O-CB 3.49Å; K20-K23 PolarHBondContact O-N 3.31Å; K20-Q24 PolarHBondContact O-N 3.13Å
21	E	89.5	Confident	79.9	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-32.3	-176.1	-55.1	-53.1	118.6	0	0	112.1	T17 V18 Q24 I25 S44 F45 A48	T17-E21 HydrophobicContact CG2-CG 4.44Å; T17-E21 WeakPolarHBondContact O-CG 3.28Å; T17-E21 PolarHBondContact O-N 3.04Å; V18-E21 PolarHBondContact O-N 3.15Å; E21-Q24 PolarHBondContact O-N 2.81Å; E21-I25 PolarHBondContact O-N 3.34Å; E21-S44 WeakPolarHBondContact OE2-CB 3.31Å; E21-F45 HydrophobicContact CB-CB 4.01Å; E21-F45 HydrophobicContact CB-CD2 4.21Å; E21-A48 HydrophobicContact CG-CB 4.14Å
22	V	84.7	Confident	78.5	Confident	17 Å²	17	59.7 Å²	59.7	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-48.9	168.6	170.1	0	0	0	0	110.3	V18 Q24 I25 M26 F45 L173 P177	V18-V22 HydrophobicContact CG1-CG2 3.88Å; V18-V22 WeakPolarHBondContact O-CB 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.48Å; V18-V22 PolarHBondContact O-N 2.73Å; V22-Q24 VanDerWaalsContact C-N 3.35Å; V22-Q24 PolarHBondContact O-N 3.22Å; V22-I25 PolarHBondContact O-N 3.21Å; V22-M26 HydrophobicContact CG1-CG 4.26Å; V22-M26 WeakPolarHBondContact O-CB 3.1Å; V22-M26 WeakPolarHBondContact O-CG 3.29Å; V22-M26 PolarHBondContact O-N 3.34Å; V22-F45 HydrophobicContact CG2-CD2 4.18Å; V22-F45 HydrophobicContact CG2-CE2 3.64Å; V22-L173 HydrophobicContact CG2-CB 4.44Å; V22-P177 HydrophobicContact CG1-CG 4.22Å; V22-P177 HydrophobicContact CG2-CG 4.11Å
23	K	79.6	Confident	77.2	Confident	110 Å²	110	65.2 Å²	65.2	48%	0.478	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-49.3	176.7	177.6	177.3	173.6	178.3	0	110.9	K19 K20 I25 M26 E27	K19-K23 WeakPolarHBondContact O-CB 3.46Å; K19-K23 PolarHBondContact O-N 2.84Å; K19-K23 VanDerWaalsContact O-N 3.1Å; K20-K23 WeakPolarHBondContact O-CB 3.49Å; K20-K23 PolarHBondContact O-N 3.31Å; K23-I25 PolarHBondContact O-N 2.99Å; K23-M26 PolarHBondContact O-N 3.24Å; K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 WeakPolarHBondContact CE-OE2 3.41Å; K23-E27 HydrophobicContact CG-CG 4.29Å; K23-E27 WeakPolarHBondContact CG-OE2 3.45Å; K23-E27 IonicContact NZ-OE1 2.7Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 WeakPolarHBondContact O-CG 3.25Å; K23-E27 PolarHBondContact O-N 3.46Å
24	Q	80.4	Confident	76.2	Confident	57 Å²	57	60.4 Å²	60.4	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-44.9	-179.6	-70.2	-167.6	-16.2	0	0	113.7	K20 E21 V22 M26 E27 E28 H41	K20-Q24 PolarHBondContact O-N 3.13Å; E21-Q24 PolarHBondContact O-N 2.81Å; V22-Q24 VanDerWaalsContact C-N 3.35Å; V22-Q24 PolarHBondContact O-N 3.22Å; Q24-M26 PolarHBondContact O-N 3.08Å; Q24-E27 PolarHBondContact O-N 3.25Å; Q24-E28 PolarHBondContact O-N 3.11Å; Q24-H41 PolarHBondContact OE1-CE1 3.43Å; Q24-H41 PolarHBondContact OE1-ND1 3.04Å
25	I	82.7	Confident	75.5	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-40.2	177.3	-74.5	-175.8	0	0	0	111.6	E21 V22 K23 E28 A29 H41 I42 F45 L180	E21-I25 PolarHBondContact O-N 3.34Å; V22-I25 PolarHBondContact O-N 3.21Å; K23-I25 PolarHBondContact O-N 2.99Å; I25-E28 PolarHBondContact O-N 3.1Å; I25-A29 WeakPolarHBondContact O-CB 3.15Å; I25-A29 PolarHBondContact O-N 2.77Å; I25-H41 HydrophobicContact CG1-CB 3.81Å; I25-I42 HydrophobicContact CD1-CG1 4.32Å; I25-F45 HydrophobicContact CD1-CB 3.36Å; I25-F45 HydrophobicContact CD1-CD1 3.77Å; I25-F45 HydrophobicContact CD1-CD2 4.26Å; I25-F45 HydrophobicContact CD1-CG 3.54Å; I25-F45 HydrophobicContact CG1-CB 4.37Å; I25-L180 HydrophobicContact CG2-CD1 3.51Å
26	M	79.1	Confident	75.3	Confident	23 Å²	23	59.8 Å²	59.8	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-38.6	178.1	-65.2	-68.1	-66.6	0	0	111.3	V22 K23 Q24 A29 V30 L180 F551	V22-M26 HydrophobicContact CG1-CG 4.26Å; V22-M26 WeakPolarHBondContact O-CB 3.1Å; V22-M26 WeakPolarHBondContact O-CG 3.29Å; V22-M26 PolarHBondContact O-N 3.34Å; K23-M26 PolarHBondContact O-N 3.24Å; Q24-M26 PolarHBondContact O-N 3.08Å; M26-A29 PolarHBondContact O-N 2.98Å; M26-V30 WeakPolarHBondContact O-CB 3.47Å; M26-V30 WeakPolarHBondContact O-CG2 3.5Å; M26-V30 PolarHBondContact O-N 2.99Å; M26-L180 HydrophobicContact SD-CD1 4.14Å; M26-L180 HydrophobicContact SD-CD2 4.21Å; M26-L180 HydrophobicContact SD-CG 4.35Å; M26-F551 HydrophobicContact CB-CE1 4.07Å; M26-F551 HydrophobicContact CB-CE2 4.36Å; M26-F551 HydrophobicContact CB-CZ 3.56Å; M26-F551 HydrophobicContact CE-CD1 3.91Å; M26-F551 HydrophobicContact CE-CD2 4.19Å; M26-F551 HydrophobicContact CE-CE1 3.73Å; M26-F551 HydrophobicContact CE-CE2 4.03Å; M26-F551 HydrophobicContact CE-CG 4.14Å; M26-F551 HydrophobicContact CE-CZ 3.81Å; M26-F551 HydrophobicContact CG-CE2 4.47Å; M26-F551 HydrophobicContact CG-CZ 4.11Å
27	E	72.6	Confident	75.2	Confident	60 Å²	60	54.4 Å²	54.4	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-64.9	-40.8	173.3	-73.8	174.6	150.1	0	0	112	K23 Q24 V30 T31	K23-E27 WeakPolarHBondContact CE-OE1 3.4Å; K23-E27 WeakPolarHBondContact CE-OE2 3.41Å; K23-E27 HydrophobicContact CG-CG 4.29Å; K23-E27 WeakPolarHBondContact CG-OE2 3.45Å; K23-E27 IonicContact NZ-OE1 2.7Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 WeakPolarHBondContact O-CG 3.25Å; K23-E27 PolarHBondContact O-N 3.46Å; Q24-E27 PolarHBondContact O-N 3.25Å; E27-V30 PolarHBondContact O-N 3.04Å; E27-T31 WeakPolarHBondContact O-CB 3.33Å; E27-T31 WeakPolarHBondContact O-CG2 3.39Å; E27-T31 PolarHBondContact O-N 3.42Å; E27-T31 PolarHBondContact O-OG1 3.15Å
28	E	74.9	Confident	74.6	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-49	172.9	-171.3	-179.1	-175.2	0	0	111.2	Q24 I25 V30 T31 R32 S39 H41	Q24-E28 PolarHBondContact O-N 3.11Å; I25-E28 PolarHBondContact O-N 3.1Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.95Å; E28-T31 PolarHBondContact O-N 3.28Å; E28-T31 PolarHBondContact O-OG1 2.68Å; E28-R32 HydrophobicContact CG-CG 4.34Å; E28-R32 WeakPolarHBondContact O-CB 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å; E28-R32 IonicContact OE1-CZ 3.58Å; E28-R32 IonicContact OE1-NH1 3.67Å; E28-R32 PolarHBondContact OE1-NH1 3.14Å; E28-S39 WeakPolarHBondContact OE2-CB 3.5Å; E28-S39 PolarHBondContact OE2-OG 3.15Å; E28-H41 IonicContact OE2-CD2 2.63Å; E28-H41 PolarHBondContact OE2-CD2 3.28Å
29	A	69.9	Low	74.1	Confident	14 Å²	14	55.3 Å²	55.3	12%	0.116	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-39.1	-179.7	0	0	0	0	0	112.8	I25 M26 K33 V35 L180	I25-A29 WeakPolarHBondContact O-CB 3.15Å; I25-A29 PolarHBondContact O-N 2.77Å; M26-A29 PolarHBondContact O-N 2.98Å; A29-K33 CarbonylContact O-C 3.55Å; A29-K33 WeakPolarHBondContact O-CA 3.44Å; A29-K33 PolarHBondContact O-N 3.26Å; A29-V35 HydrophobicContact CB-CG2 3.51Å; A29-L180 HydrophobicContact CB-CD1 3.83Å; A29-L180 HydrophobicContact CB-CD2 3.78Å; A29-L180 HydrophobicContact CB-CG 4.44Å
30	V	57.2	Low	74.2	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.279	27%	0.268	S	S	.	.	H	α-helix	trans	-73.3	-48.1	179.2	167.7	0	0	0	0	111.6	M26 E27 E28 F551 Y552	M26-V30 WeakPolarHBondContact O-CB 3.47Å; M26-V30 WeakPolarHBondContact O-CG2 3.5Å; M26-V30 PolarHBondContact O-N 2.99Å; E27-V30 PolarHBondContact O-N 3.04Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.95Å; V30-F551 HydrophobicContact CG2-CE1 4.41Å; V30-Y552 HydrophobicContact CB-CE1 4.32Å; V30-Y552 HydrophobicContact CG1-CE1 3.77Å; V30-Y552 HydrophobicContact CG2-CE1 3.54Å
31	T	53.8	Low	74.2	Confident	101 Å²	101	51.7 Å²	51.7	62%	0.62	26%	0.257	S	S	*	.	H	α-helix	trans	-69.4	-40	-177.2	50.9	0	0	0	0	112.6	E27 E28	E27-T31 WeakPolarHBondContact O-CB 3.33Å; E27-T31 WeakPolarHBondContact O-CG2 3.39Å; E27-T31 PolarHBondContact O-N 3.42Å; E27-T31 PolarHBondContact O-OG1 3.15Å; E28-T31 PolarHBondContact O-N 3.28Å; E28-T31 PolarHBondContact O-OG1 2.68Å
32	R	56.7	Low	74.1	Confident	116 Å²	116	51 Å²	51	44%	0.438	25%	0.254	S	S	.	.	H	α-helix	trans	-92.7	-11	-177.7	-61.6	-175.4	171.7	169.2	-10.4	113.9	E28 F34	E28-R32 HydrophobicContact CG-CG 4.34Å; E28-R32 WeakPolarHBondContact O-CB 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å; E28-R32 IonicContact OE1-CZ 3.58Å; E28-R32 IonicContact OE1-NH1 3.67Å; E28-R32 PolarHBondContact OE1-NH1 3.14Å; R32-F34 WeakPolarHBondContact CB-O 3.41Å; R32-F34 WeakPolarHBondContact O-CD1 3.38Å; R32-F34 PolarHBondContact O-N 3.03Å; R32-F34 VanDerWaalsContact O-N 3.1Å
33	K	55.4	Low	74.2	Confident	187 Å²	187	51.5 Å²	51.5	81%	0.813	26%	0.255	S	S	*	.	S	Bend	trans	62.4	1.5	-172.8	-56.4	173.5	-176.6	168.2	0	114.9	A29	A29-K33 CarbonylContact O-C 3.55Å; A29-K33 WeakPolarHBondContact O-CA 3.44Å; A29-K33 PolarHBondContact O-N 3.26Å
34	F	66.4	Low	74.7	Confident	69 Å²	69	49 Å²	49	30%	0.303	25%	0.252	S	S	.	.	S	Bend	trans	-154.2	161.4	170.6	67.6	-86.9	0	0	0	109.2	R32 H36 T183	R32-F34 WeakPolarHBondContact CB-O 3.41Å; R32-F34 WeakPolarHBondContact O-CD1 3.38Å; R32-F34 PolarHBondContact O-N 3.03Å; R32-F34 VanDerWaalsContact O-N 3.1Å; F34-H36 HydrophobicContact CE2-CB 4.3Å; F34-T183 HydrophobicContact CB-CG2 4.1Å; F34-T183 VanDerWaalsContact CD2-OG1 3.3Å; F34-T183 WeakPolarHBondContact CD2-OG1 3.38Å
35	V	74.9	Confident	75.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.4	167.3	-168.3	0	0	0	0	108.7	A29 I42 L180 Y182 T183	A29-V35 HydrophobicContact CB-CG2 3.51Å; V35-I42 HydrophobicContact CG1-CD1 3.78Å; V35-I42 HydrophobicContact CG1-CG1 4.11Å; V35-L180 HydrophobicContact CG2-CD1 4.36Å; V35-Y182 HydrophobicContact CB-CD1 3.82Å; V35-Y182 HydrophobicContact CB-CE1 3.9Å; V35-Y182 HydrophobicContact CG1-CD1 4.08Å; V35-Y182 HydrophobicContact CG1-CE1 3.99Å; V35-Y182 HydrophobicContact CG2-CE1 4.41Å; V35-Y182 WeakPolarHBondContact O-CA 3.35Å; V35-T183 PolarHBondContact O-N 3.04Å
36	H	79.7	Confident	75.8	Confident	19 Å²	19	46.3 Å²	46.3	9%	0.088	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.5	176.3	-175.6	-96.6	0	0	0	109.9	F34 D38 S39 I42 T183 H190	F34-H36 HydrophobicContact CE2-CB 4.3Å; H36-D38 IonicContact CE1-OD2 3.42Å; H36-D38 PolarHBondContact CE1-OD2 3.44Å; H36-D38 PolarHBondContact ND1-N 2.64Å; H36-D38 PolarHBondContact O-N 2.88Å; H36-S39 WeakPolarHBondContact O-CB 3.25Å; H36-S39 PolarHBondContact O-N 3Å; H36-I42 VanDerWaalsContact O-CD1 3.24Å; H36-I42 WeakPolarHBondContact O-CD1 3.4Å; H36-T183 PolarHBondContact CD2-O 3.38Å; H36-H190 AromaticContact CD2-CD2 3.9Å; H36-H190 AromaticContact CD2-NE2 3.42Å; H36-H190 PolarHBondContact CD2-NE2 3.5Å; H36-H190 AromaticContact CE1-CE1 3.73Å; H36-H190 AromaticContact CE1-NE2 3.33Å; H36-H190 PolarHBondContact CE1-NE2 3.32Å; H36-H190 VanDerWaalsContact CE1-NE2 3.33Å; H36-H190 AromaticContact CG-NE2 3.52Å; H36-H190 AromaticContact ND1-NE2 3.44Å; H36-H190 PolarHBondContact ND1-NE2 3.01Å; H36-H190 AromaticContact NE2-CD2 3.94Å; H36-H190 AromaticContact NE2-CE1 3.91Å; H36-H190 AromaticContact NE2-NE2 3.28Å; H36-H190 PolarHBondContact NE2-NE2 3.27Å
37	E	80.1	Confident	76.3	Confident	27 Å²	27	46.9 Å²	46.9	13%	0.126	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.8	-174.2	-76.1	-165.7	-175.8	0	0	114.4	I42 R132 F136 T183 K184	E37-I42 WeakPolarHBondContact O-CD1 3.34Å; E37-R132 PolarHBondContact O-NH1 3.49Å; E37-R132 PolarHBondContact O-NH2 3.28Å; E37-R132 VanDerWaalsContact O-NH2 3.14Å; E37-F136 HydrophobicContact CB-CE2 3.81Å; E37-F136 HydrophobicContact CB-CZ 3.74Å; E37-F136 HydrophobicContact CG-CD2 4.16Å; E37-F136 HydrophobicContact CG-CE1 4.38Å; E37-F136 HydrophobicContact CG-CE2 3.49Å; E37-F136 VanDerWaalsContact CG-CE2 3.49Å; E37-F136 HydrophobicContact CG-CZ 3.63Å; E37-F136 WeakPolarHBondContact OE2-CE2 3.3Å; E37-T183 PolarHBondContact N-O 2.89Å; E37-T183 VanDerWaalsContact N-O 3.14Å; E37-K184 VanDerWaalsContact CD-CG 3.4Å; E37-K184 HydrophobicContact CG-CG 4.18Å; E37-K184 WeakPolarHBondContact OE1-CE 3.27Å; E37-K184 WeakPolarHBondContact OE1-CG 3.43Å; E37-K184 IonicContact OE1-NZ 2.68Å; E37-K184 WeakPolarHBondContact OE2-CE 3.41Å
38	D	73.8	Confident	77.3	Confident	70 Å²	70	44.4 Å²	44.4	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	15.2	179.2	-59.6	-43.9	0	0	0	115	H36 S40 R132	H36-D38 IonicContact CE1-OD2 3.42Å; H36-D38 PolarHBondContact CE1-OD2 3.44Å; H36-D38 PolarHBondContact ND1-N 2.64Å; H36-D38 PolarHBondContact O-N 2.88Å; D38-S40 PolarHBondContact O-N 2.95Å; D38-R132 IonicContact OD1-CZ 3.76Å; D38-R132 IonicContact OD1-NH1 3.08Å; D38-R132 PolarHBondContact OD1-NH1 3.35Å; D38-R132 IonicContact OD1-NH2 3.25Å; D38-R132 PolarHBondContact OD1-NH2 3.02Å
39	S	80.5	Confident	78.2	Confident	11 Å²	11	43.8 Å²	43.8	8%	0.077	24%	0.235	C	C	.	.			trans	-55.8	136.4	171.5	171.3	0	0	0	0	111.4	E28 H36 H41 I42	E28-S39 WeakPolarHBondContact OE2-CB 3.5Å; E28-S39 PolarHBondContact OE2-OG 3.15Å; H36-S39 WeakPolarHBondContact O-CB 3.25Å; H36-S39 PolarHBondContact O-N 3Å; S39-H41 PolarHBondContact O-N 3.15Å; S39-H41 PolarHBondContact OG-N 2.71Å; S39-I42 WeakPolarHBondContact O-CB 3.33Å; S39-I42 PolarHBondContact O-N 2.97Å
40	S	81.5	Confident	79.3	Confident	77 Å²	77	44.9 Å²	44.9	54%	0.538	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-33.4	174.4	50.2	0	0	0	0	111.9	D38 I42 I43 S44	D38-S40 PolarHBondContact O-N 2.95Å; S40-I42 VanDerWaalsContact C-N 3.32Å; S40-I42 PolarHBondContact O-N 3.45Å; S40-I43 PolarHBondContact O-N 3.43Å; S40-I43 VanDerWaalsContact O-N 3.11Å; S40-S44 PolarHBondContact O-N 3.15Å; S40-S44 PolarHBondContact O-OG 3.19Å
41	H	84.4	Confident	81	Confident	54 Å²	54	44.8 Å²	44.8	25%	0.25	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-36.7	176.7	-58.5	-72.1	0	0	0	111.8	Q24 I25 E28 S39 I43 S44 F45	Q24-H41 PolarHBondContact OE1-CE1 3.43Å; Q24-H41 PolarHBondContact OE1-ND1 3.04Å; I25-H41 HydrophobicContact CG1-CB 3.81Å; E28-H41 IonicContact OE2-CD2 2.63Å; E28-H41 PolarHBondContact OE2-CD2 3.28Å; S39-H41 PolarHBondContact O-N 3.15Å; S39-H41 PolarHBondContact OG-N 2.71Å; H41-I43 VanDerWaalsContact C-N 3.31Å; H41-I43 PolarHBondContact O-N 3.48Å; H41-S44 PolarHBondContact O-N 3.06Å; H41-F45 WeakPolarHBondContact O-CB 3.45Å; H41-F45 PolarHBondContact O-N 2.98Å
42	I	88.1	Confident	82.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-42.6	172.9	-64.8	169.3	0	0	0	110.8	I25 V35 H36 E37 S39 S40 C46 R132 L135 F136 Y182	I25-I42 HydrophobicContact CD1-CG1 4.32Å; V35-I42 HydrophobicContact CG1-CD1 3.78Å; V35-I42 HydrophobicContact CG1-CG1 4.11Å; H36-I42 VanDerWaalsContact O-CD1 3.24Å; H36-I42 WeakPolarHBondContact O-CD1 3.4Å; E37-I42 WeakPolarHBondContact O-CD1 3.34Å; S39-I42 WeakPolarHBondContact O-CB 3.33Å; S39-I42 PolarHBondContact O-N 2.97Å; S40-I42 VanDerWaalsContact C-N 3.32Å; S40-I42 PolarHBondContact O-N 3.45Å; I42-C46 WeakPolarHBondContact O-CB 3.48Å; I42-C46 PolarHBondContact O-N 2.92Å; I42-C46 PolarHBondContact O-SG 3.19Å; I42-R132 HydrophobicContact CG2-CG 4.34Å; I42-L135 HydrophobicContact CG2-CD2 4.27Å; I42-F136 HydrophobicContact CD1-CE1 4.15Å; I42-F136 HydrophobicContact CD1-CZ 4.28Å; I42-F136 HydrophobicContact CG2-CE1 4.1Å; I42-F136 HydrophobicContact CG2-CZ 4.21Å; I42-Y182 HydrophobicContact CD1-CD1 3.59Å; I42-Y182 HydrophobicContact CD1-CE1 3.7Å; I42-Y182 HydrophobicContact CG1-CD1 4.33Å; I42-Y182 HydrophobicContact CG1-CE1 3.92Å
43	I	87.3	Confident	84.6	Confident	27 Å²	27	34.5 Å²	34.5	14%	0.138	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-46.6	-179.1	-59.8	178.3	0	0	0	110.4	S40 H41 C46 A47 L124	S40-I43 PolarHBondContact O-N 3.43Å; S40-I43 VanDerWaalsContact O-N 3.11Å; H41-I43 VanDerWaalsContact C-N 3.31Å; H41-I43 PolarHBondContact O-N 3.48Å; I43-C46 PolarHBondContact O-N 3.24Å; I43-A47 PolarHBondContact O-N 3.41Å; I43-L124 HydrophobicContact CD1-CB 4.18Å; I43-L124 HydrophobicContact CG2-CB 4.05Å
44	S	88.4	Confident	86.4	Confident	57 Å²	57	27.8 Å²	27.8	40%	0.399	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-44	177.7	-60.6	0	0	0	0	112.5	E21 S40 H41 A47 A48	E21-S44 WeakPolarHBondContact OE2-CB 3.31Å; S40-S44 PolarHBondContact O-N 3.15Å; S40-S44 PolarHBondContact O-OG 3.19Å; H41-S44 PolarHBondContact O-N 3.06Å; S44-A47 PolarHBondContact O-N 3.36Å; S44-A48 PolarHBondContact O-N 2.89Å
45	F	93.4	Very high	87.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-48.5	172.9	171.5	-104.5	0	0	0	112.2	E21 V22 I25 H41 A47 A48 V49 L135 L140 L174 P177	E21-F45 HydrophobicContact CB-CB 4.01Å; E21-F45 HydrophobicContact CB-CD2 4.21Å; V22-F45 HydrophobicContact CG2-CD2 4.18Å; V22-F45 HydrophobicContact CG2-CE2 3.64Å; I25-F45 HydrophobicContact CD1-CB 3.36Å; I25-F45 HydrophobicContact CD1-CD1 3.77Å; I25-F45 HydrophobicContact CD1-CD2 4.26Å; I25-F45 HydrophobicContact CD1-CG 3.54Å; I25-F45 HydrophobicContact CG1-CB 4.37Å; H41-F45 WeakPolarHBondContact O-CB 3.45Å; H41-F45 PolarHBondContact O-N 2.98Å; F45-A47 VanDerWaalsContact C-N 3.25Å; F45-A47 PolarHBondContact O-N 2.74Å; F45-A48 PolarHBondContact O-N 3.34Å; F45-A48 VanDerWaalsContact O-N 3.1Å; F45-V49 HydrophobicContact CD1-CG2 4.5Å; F45-V49 HydrophobicContact CD2-CG2 4.05Å; F45-V49 HydrophobicContact CE1-CG2 4.17Å; F45-V49 HydrophobicContact CE2-CG2 3.66Å; F45-V49 HydrophobicContact CG-CG2 4.45Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CG2 3.49Å; F45-V49 PolarHBondContact O-N 3.48Å; F45-L135 HydrophobicContact CD1-CD2 3.94Å; F45-L135 HydrophobicContact CE1-CD1 3.97Å; F45-L135 HydrophobicContact CE1-CD2 3.82Å; F45-L135 HydrophobicContact CE1-CG 4.46Å; F45-L140 HydrophobicContact CE1-CD2 4.29Å; F45-L174 HydrophobicContact CE2-CD2 3.92Å; F45-L174 HydrophobicContact CZ-CD2 3.53Å; F45-P177 HydrophobicContact CE1-CB 4.03Å; F45-P177 HydrophobicContact CE1-CG 4.49Å; F45-P177 HydrophobicContact CE2-CB 4.33Å; F45-P177 HydrophobicContact CE2-CG 3.91Å; F45-P177 HydrophobicContact CZ-CB 3.7Å; F45-P177 HydrophobicContact CZ-CG 3.75Å
46	C	92.6	Very high	88.2	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-38.2	178	-69.7	0	0	0	0	111.7	I42 I43 E50 H128 I131	I42-C46 WeakPolarHBondContact O-CB 3.48Å; I42-C46 PolarHBondContact O-N 2.92Å; I42-C46 PolarHBondContact O-SG 3.19Å; I43-C46 PolarHBondContact O-N 3.24Å; C46-E50 VanDerWaalsContact O-CB 3.25Å; C46-E50 WeakPolarHBondContact O-CB 3.48Å; C46-E50 PolarHBondContact O-N 2.95Å; C46-H128 HydrophobicContact CB-CB 3.94Å; C46-I131 HydrophobicContact CB-CB 4.22Å; C46-I131 HydrophobicContact CB-CG2 3.94Å
47	A	91.2	Very high	88.6	Confident	34 Å²	34	27.9 Å²	27.9	28%	0.281	17%	0.173	S	C	.	.	H	α-helix	trans	-67.6	-39	174.6	0	0	0	0	0	113	I43 S44 F45 E50 A51	I43-A47 PolarHBondContact O-N 3.41Å; S44-A47 PolarHBondContact O-N 3.36Å; F45-A47 VanDerWaalsContact C-N 3.25Å; F45-A47 PolarHBondContact O-N 2.74Å; A47-E50 PolarHBondContact O-N 3.26Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 3.32Å
48	A	92.7	Very high	88.9	Confident	9 Å²	9	30 Å²	30	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-41.8	176.4	0	0	0	0	0	112.3	T17 V18 E21 S44 F45 A51 C52	T17-A48 HydrophobicContact CG2-CB 3.87Å; V18-A48 HydrophobicContact CG2-CB 3.9Å; E21-A48 HydrophobicContact CG-CB 4.14Å; S44-A48 PolarHBondContact O-N 2.89Å; F45-A48 PolarHBondContact O-N 3.34Å; F45-A48 VanDerWaalsContact O-N 3.1Å; A48-A51 PolarHBondContact O-N 2.94Å; A48-C52 PolarHBondContact O-N 2.96Å; A48-C52 PolarHBondContact O-SG 2.99Å
49	V	94.5	Very high	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-41.2	175.4	179.1	0	0	0	0	111	V18 F45 A51 C52 V53 I131 L140 L174	V18-V49 HydrophobicContact CG1-CG2 4.43Å; V18-V49 HydrophobicContact CG2-CG2 4.47Å; F45-V49 HydrophobicContact CD1-CG2 4.5Å; F45-V49 HydrophobicContact CD2-CG2 4.05Å; F45-V49 HydrophobicContact CE1-CG2 4.17Å; F45-V49 HydrophobicContact CE2-CG2 3.66Å; F45-V49 HydrophobicContact CG-CG2 4.45Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CG2 3.49Å; F45-V49 PolarHBondContact O-N 3.48Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 3.11Å; V49-C52 PolarHBondContact O-N 3Å; V49-V53 HydrophobicContact CG1-CG2 4.22Å; V49-V53 WeakPolarHBondContact O-CB 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 2.98Å; V49-I131 HydrophobicContact CB-CG2 4.32Å; V49-I131 HydrophobicContact CG1-CG2 4.32Å; V49-L140 HydrophobicContact CG1-CD1 4.27Å; V49-L140 HydrophobicContact CG1-CD2 4.33Å; V49-L174 HydrophobicContact CG1-CD1 4.35Å; V49-L174 HydrophobicContact CG1-CD2 4.11Å; V49-L174 HydrophobicContact CG2-CD2 3.54Å
50	E	93.7	Very high	88.7	Confident	37 Å²	37	46.7 Å²	46.7	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-44	172.8	-177.4	172.5	135.7	0	0	111.8	C46 A47 C52 V53 L54 I70 H128 I131	C46-E50 VanDerWaalsContact O-CB 3.25Å; C46-E50 WeakPolarHBondContact O-CB 3.48Å; C46-E50 PolarHBondContact O-N 2.95Å; A47-E50 PolarHBondContact O-N 3.26Å; E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 2.78Å; E50-V53 PolarHBondContact O-N 3.25Å; E50-L54 HydrophobicContact CG-CD1 3.79Å; E50-L54 HydrophobicContact CG-CG 4.23Å; E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 VanDerWaalsContact O-CG 3.28Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.3Å; E50-I70 HydrophobicContact CG-CD1 4.13Å; E50-I70 HydrophobicContact CG-CG1 3.83Å; E50-H128 IonicContact OE1-CE1 3.39Å; E50-H128 IonicContact OE1-ND1 3.6Å; E50-H128 IonicContact OE2-CE1 2.73Å; E50-H128 PolarHBondContact OE2-CE1 3.08Å; E50-H128 IonicContact OE2-CG 3.45Å; E50-H128 IonicContact OE2-ND1 3.67Å; E50-H128 PolarHBondContact OE2-ND1 3.36Å; E50-I131 HydrophobicContact CB-CG1 4.23Å
51	A	92.9	Very high	88.3	Confident	44 Å²	44	43.2 Å²	43.2	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-40.5	176.6	0	0	0	0	0	112.4	L14 A47 A48 V49 H55	L14-A51 HydrophobicContact CD2-CB 3.87Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 3.32Å; A48-A51 PolarHBondContact O-N 2.94Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 3.11Å; A51-H55 PolarHBondContact O-N 3.17Å
52	C	92.7	Very high	87.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-43.4	175.8	-62.2	0	0	0	0	112.5	V18 A48 V49 E50 L54 H55 L160 L170	V18-C52 WeakPolarHBondContact CG2-SG 3.38Å; A48-C52 PolarHBondContact O-N 2.96Å; A48-C52 PolarHBondContact O-SG 2.99Å; V49-C52 PolarHBondContact O-N 3Å; E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 2.78Å; C52-L54 VanDerWaalsContact C-N 3.28Å; C52-L54 PolarHBondContact O-N 2.85Å; C52-H55 WeakPolarHBondContact O-CB 3.48Å; C52-H55 PolarHBondContact O-N 2.96Å; C52-L160 HydrophobicContact CB-CD1 4.44Å; C52-L170 HydrophobicContact CB-CD1 4.24Å; C52-L170 HydrophobicContact CB-CD2 3.63Å
53	V	93.1	Very high	86.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.3	-20.6	179.5	173.8	0	0	0	0	112.3	V49 E50 I70 L73 V144 L147 Y155	V49-V53 HydrophobicContact CG1-CG2 4.22Å; V49-V53 WeakPolarHBondContact O-CB 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 2.98Å; E50-V53 PolarHBondContact O-N 3.25Å; V53-I70 HydrophobicContact CB-CD1 4.2Å; V53-I70 HydrophobicContact CG1-CD1 3.66Å; V53-L73 HydrophobicContact CG1-CD2 3.76Å; V53-V144 HydrophobicContact CG2-CG2 3.97Å; V53-L147 HydrophobicContact CG1-CD1 4.21Å; V53-Y155 WeakPolarHBondContact O-CE1 3.21Å; V53-Y155 PolarHBondContact O-OH 3.29Å
54	L	91.9	Very high	84.8	Confident	47 Å²	47	51.1 Å²	51.1	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-91.5	-12	172.5	-65.4	-179.9	0	0	0	113.8	E50 C52 G56 L57 K69 I70	E50-L54 HydrophobicContact CG-CD1 3.79Å; E50-L54 HydrophobicContact CG-CG 4.23Å; E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 VanDerWaalsContact O-CG 3.28Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.3Å; C52-L54 VanDerWaalsContact C-N 3.28Å; C52-L54 PolarHBondContact O-N 2.85Å; L54-G56 PolarHBondContact O-N 3.35Å; L54-L57 HydrophobicContact CD2-CD2 3.7Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.49Å; L54-K69 HydrophobicContact CD2-CB 3.67Å; L54-K69 HydrophobicContact CD2-CD 4.28Å; L54-I70 HydrophobicContact CD2-CD1 3.68Å; L54-I70 HydrophobicContact CD2-CG1 4.23Å; L54-I70 HydrophobicContact CG-CD1 3.93Å; L54-I70 HydrophobicContact CG-CG1 4.48Å
55	H	92.1	Very high	83	Confident	44 Å²	44	56.1 Å²	56.1	20%	0.204	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	117.1	-177.9	-168.6	-105.6	0	0	0	111.5	L14 A51 C52 L57 Y155 E158 A159 L160	L14-H55 HydrophobicContact CD1-CB 3.91Å; A51-H55 PolarHBondContact O-N 3.17Å; C52-H55 WeakPolarHBondContact O-CB 3.48Å; C52-H55 PolarHBondContact O-N 2.96Å; H55-L57 VanDerWaalsContact C-N 3.26Å; H55-L57 PolarHBondContact O-N 3.04Å; H55-Y155 WeakPolarHBondContact O-CD1 3.05Å; H55-E158 PolarHBondContact CE1-O 3.39Å; H55-A159 VanDerWaalsContact O-CB 3.29Å; H55-A159 WeakPolarHBondContact O-CB 3.45Å; H55-L160 HydrophobicContact CB-CB 4.32Å; H55-L160 PolarHBondContact ND1-N 3.14Å
56	G	87.3	Confident	81.2	Confident	25 Å²	25	62.5 Å²	62.5	26%	0.258	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	20.5	-177.3	0	0	0	0	0	115.1	L54 R58 Y155 E156	L54-G56 PolarHBondContact O-N 3.35Å; G56-R58 PolarHBondContact O-N 3.43Å; G56-Y155 WeakPolarHBondContact O-CA 3.47Å; G56-E156 PolarHBondContact O-N 3Å
57	L	89.4	Confident	79.8	Confident	22 Å²	22	68.9 Å²	68.9	12%	0.115	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-69.2	120.4	179.4	-178.5	66.1	0	0	0	111.6	L54 H55 A61 A62 L73 Y155	L54-L57 HydrophobicContact CD2-CD2 3.7Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.49Å; H55-L57 VanDerWaalsContact C-N 3.26Å; H55-L57 PolarHBondContact O-N 3.04Å; L57-A61 HydrophobicContact CD1-CB 3.73Å; L57-A61 HydrophobicContact CG-CB 4.32Å; L57-A62 HydrophobicContact CD2-CB 3.96Å; L57-A62 HydrophobicContact CG-CB 4.37Å; L57-L73 HydrophobicContact CD1-CD1 4.02Å; L57-L73 HydrophobicContact CD1-CD2 3.99Å; L57-L73 HydrophobicContact CD2-CD2 4.17Å; L57-Y155 HydrophobicContact CB-CD1 4.24Å; L57-Y155 HydrophobicContact CB-CE1 3.92Å; L57-Y155 HydrophobicContact CD1-CD1 4.19Å; L57-Y155 HydrophobicContact CD1-CE1 3.69Å; L57-Y155 HydrophobicContact CD1-CE2 4.47Å; L57-Y155 HydrophobicContact CG-CE1 4.42Å
58	R	86.3	Confident	79.4	Confident	71 Å²	71	69.3 Å²	69.3	27%	0.268	34%	0.344	S	S	.	.			trans	-58	140.8	-177.9	-68.7	173.6	-175.7	165.2	8.6	111.6	G56 R60 A61 A62 S152 K153 Y154 Y155 E156	G56-R58 PolarHBondContact O-N 3.43Å; R58-R60 PolarHBondContact O-N 2.88Å; R58-R60 VanDerWaalsContact O-N 3.08Å; R58-A61 HydrophobicContact CB-CB 4.46Å; R58-A61 WeakPolarHBondContact O-CA 3.4Å; R58-A61 WeakPolarHBondContact O-CB 3.46Å; R58-A61 PolarHBondContact O-N 3.38Å; R58-A62 PolarHBondContact O-N 3.47Å; R58-A62 VanDerWaalsContact O-N 3.1Å; R58-S152 PolarHBondContact NH1-O 3.1Å; R58-S152 PolarHBondContact NH2-O 3.44Å; R58-K153 PolarHBondContact NH1-O 3.22Å; R58-Y154 VanDerWaalsContact CB-O 3.25Å; R58-Y154 WeakPolarHBondContact CB-O 3.47Å; R58-Y154 VanDerWaalsContact CG-O 3.3Å; R58-Y154 WeakPolarHBondContact CG-O 3.46Å; R58-Y154 PolarHBondContact N-O 3.43Å; R58-Y155 PolarHBondContact NE-O 3.42Å; R58-Y155 PolarHBondContact NH2-O 3.42Å; R58-E156 HydrophobicContact CB-CG 4.45Å; R58-E156 HydrophobicContact CG-CG 3.51Å
59	R	77.9	Confident	79.1	Confident	219 Å²	219	74.5 Å²	74.5	83%	0.826	37%	0.365	S	S	*	.	H	α-helix	trans	-52.3	-35	173.7	-57.6	-175.8	-172	-173.1	2	113.3	A61	R59-A61 VanDerWaalsContact C-N 3.27Å; R59-A61 PolarHBondContact O-N 3.39Å
60	R	71.6	Confident	78.8	Confident	213 Å²	213	74.5 Å²	74.5	80%	0.804	37%	0.365	S	S	*	.	H	α-helix	trans	-74.2	-7.8	175.9	-66.5	-170	-69.7	170.7	-3.2	114.7	R58 K76	R58-R60 PolarHBondContact O-N 2.88Å; R58-R60 VanDerWaalsContact O-N 3.08Å; R60-K76 PolarHBondContact O-NZ 3.35Å
61	A	73.1	Confident	78.5	Confident	3 Å²	3	73 Å²	73	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-102.5	-38.5	173.2	0	0	0	0	0	111.8	L57 R58 R59 G63 L73 Y154	L57-A61 HydrophobicContact CD1-CB 3.73Å; L57-A61 HydrophobicContact CG-CB 4.32Å; R58-A61 HydrophobicContact CB-CB 4.46Å; R58-A61 WeakPolarHBondContact O-CA 3.4Å; R58-A61 WeakPolarHBondContact O-CB 3.46Å; R58-A61 PolarHBondContact O-N 3.38Å; R59-A61 VanDerWaalsContact C-N 3.27Å; R59-A61 PolarHBondContact O-N 3.39Å; A61-G63 PolarHBondContact O-N 3.41Å; A61-L73 HydrophobicContact CB-CD1 4.48Å; A61-Y154 HydrophobicContact CB-CD1 4.17Å
62	A	68.8	Low	78.3	Confident	12 Å²	12	71.6 Å²	71.6	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-68.4	-12.7	178.2	0	0	0	0	0	115.4	L57 R58 K69 A72	L57-A62 HydrophobicContact CD2-CB 3.96Å; L57-A62 HydrophobicContact CG-CB 4.37Å; R58-A62 PolarHBondContact O-N 3.47Å; R58-A62 VanDerWaalsContact O-N 3.1Å; A62-K69 HydrophobicContact CB-CB 4.33Å; A62-K69 HydrophobicContact CB-CD 4.45Å; A62-K69 HydrophobicContact CB-CG 4.21Å; A62-A72 WeakPolarHBondContact O-CB 3.38Å
63	G	65.2	Low	78.2	Confident	36 Å²	36	71.6 Å²	71.6	37%	0.371	35%	0.347	S	S	.	.			trans	81.9	140.6	-179	0	0	0	0	0	113.2	A61	A61-G63 PolarHBondContact O-N 3.41Å
64	F	51.8	Low	78.1	Confident	199 Å²	199	71.6 Å²	71.6	87%	0.873	35%	0.347	S	S	*	.	S	Bend	trans	-84.1	-17.5	-172.8	-162.5	-107.4	0	0	0	114.1
65	L	50.2	Low	77.9	Confident	163 Å²	163	72 Å²	72	85%	0.853	35%	0.348	S	S	*	.	S	Bend	trans	-141.3	26.8	-169.4	-67.6	172.2	0	0	0	113.4
66	R	55.7	Low	77.8	Confident	134 Å²	134	73.6 Å²	73.6	51%	0.506	36%	0.355	S	S	.	.			trans	-120.1	136.2	176.4	-73	-169.9	172.3	-156.9	-1.5	111	M75	R66-M75 PolarHBondContact NH1-SD 3.14Å
67	S	64.4	Low	77.9	Confident	134 Å²	134	72.4 Å²	72.4	94%	0.937	34%	0.343	S	S	*	.	S	Bend	trans	-67.6	-35.6	177	48.3	0	0	0	0	112.7
68	N	81.8	Confident	77.8	Confident	43 Å²	43	71.5 Å²	71.5	23%	0.23	34%	0.338	C	S	.	.			trans	-98.5	113.4	177.5	-173.3	-26	0	0	0	111.4	I70 A71 A72	N68-I70 PolarHBondContact OD1-N 2.98Å; N68-A71 HydrophobicContact CB-CB 3.83Å; N68-A71 PolarHBondContact OD1-N 3.26Å; N68-A72 PolarHBondContact O-N 3.35Å
69	K	87.2	Confident	78	Confident	118 Å²	118	76.7 Å²	76.7	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-72.7	-35.2	179.9	-63	179.5	-177.5	173.3	0	113.1	L54 A62 A72 L73	L54-K69 HydrophobicContact CD2-CB 3.67Å; L54-K69 HydrophobicContact CD2-CD 4.28Å; A62-K69 HydrophobicContact CB-CB 4.33Å; A62-K69 HydrophobicContact CB-CD 4.45Å; A62-K69 HydrophobicContact CB-CG 4.21Å; K69-A72 PolarHBondContact O-N 2.79Å; K69-L73 PolarHBondContact O-N 3.13Å
70	I	88.9	Confident	78.5	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-43.8	176.3	-64.5	-62.3	0	0	0	110	E50 V53 L54 N68 A72 L73 F74 W130 I131	E50-I70 HydrophobicContact CG-CD1 4.13Å; E50-I70 HydrophobicContact CG-CG1 3.83Å; V53-I70 HydrophobicContact CB-CD1 4.2Å; V53-I70 HydrophobicContact CG1-CD1 3.66Å; L54-I70 HydrophobicContact CD2-CD1 3.68Å; L54-I70 HydrophobicContact CD2-CG1 4.23Å; L54-I70 HydrophobicContact CG-CD1 3.93Å; L54-I70 HydrophobicContact CG-CG1 4.48Å; N68-I70 PolarHBondContact OD1-N 2.98Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 2.78Å; I70-L73 PolarHBondContact O-N 3.06Å; I70-L73 VanDerWaalsContact O-N 3.11Å; I70-F74 HydrophobicContact CG2-CD1 4.02Å; I70-F74 HydrophobicContact CG2-CD2 4.13Å; I70-F74 HydrophobicContact CG2-CE1 3.97Å; I70-F74 HydrophobicContact CG2-CE2 4.07Å; I70-F74 HydrophobicContact CG2-CG 4.12Å; I70-F74 HydrophobicContact CG2-CZ 4Å; I70-F74 WeakPolarHBondContact O-CB 3.36Å; I70-F74 PolarHBondContact O-N 3.35Å; I70-W130 HydrophobicContact CB-CB 4.46Å; I70-W130 HydrophobicContact CG2-CB 3.64Å; I70-W130 HydrophobicContact CG2-CG 4.4Å; I70-I131 HydrophobicContact CD1-CD1 4.35Å; I70-I131 HydrophobicContact CG1-CD1 4.48Å; I70-I131 HydrophobicContact CG2-CD1 3.87Å; I70-I131 HydrophobicContact CG2-CG1 4.39Å
71	A	87.3	Confident	79.4	Confident	6 Å²	6	62.7 Å²	62.7	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-43.1	175.6	0	0	0	0	0	112.3	N68 M75 W130	N68-A71 HydrophobicContact CB-CB 3.83Å; N68-A71 PolarHBondContact OD1-N 3.26Å; A71-M75 WeakPolarHBondContact O-CB 3.47Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.43Å; A71-M75 VanDerWaalsContact O-N 3.13Å; A71-W130 HydrophobicContact CB-CD2 3.81Å; A71-W130 HydrophobicContact CB-CE3 4.28Å; A71-W130 HydrophobicContact CB-CG 4.39Å; A71-W130 HydrophobicContact CB-CH2 4.05Å; A71-W130 HydrophobicContact CB-CZ2 3.53Å; A71-W130 HydrophobicContact CB-CZ3 4.39Å
72	A	88.3	Confident	80.2	Confident	13 Å²	13	66.5 Å²	66.5	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-39.9	175.8	0	0	0	0	0	112.7	A62 N68 K69 I70 K76	A62-A72 WeakPolarHBondContact O-CB 3.38Å; N68-A72 PolarHBondContact O-N 3.35Å; K69-A72 PolarHBondContact O-N 2.79Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 2.78Å; A72-K76 VanDerWaalsContact O-CB 3.29Å; A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 PolarHBondContact O-N 3.45Å
73	L	90.2	Very high	81.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-52	176.8	178.8	58.1	0	0	0	111.9	V53 L57 A61 K69 I70 M75 K76 V77 L147 Y154 Y155	V53-L73 HydrophobicContact CG1-CD2 3.76Å; L57-L73 HydrophobicContact CD1-CD1 4.02Å; L57-L73 HydrophobicContact CD1-CD2 3.99Å; L57-L73 HydrophobicContact CD2-CD2 4.17Å; A61-L73 HydrophobicContact CB-CD1 4.48Å; K69-L73 PolarHBondContact O-N 3.13Å; I70-L73 PolarHBondContact O-N 3.06Å; I70-L73 VanDerWaalsContact O-N 3.11Å; L73-M75 PolarHBondContact O-N 3.46Å; L73-K76 CarbonylContact O-C 3.36Å; L73-K76 WeakPolarHBondContact O-CA 3.43Å; L73-K76 WeakPolarHBondContact O-CB 3.48Å; L73-K76 PolarHBondContact O-N 2.87Å; L73-V77 HydrophobicContact CD1-CG2 4.27Å; L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.37Å; L73-L147 HydrophobicContact CD1-CD2 3.97Å; L73-L147 HydrophobicContact CD2-CD1 4.13Å; L73-L147 HydrophobicContact CD2-CD2 4.27Å; L73-L147 HydrophobicContact CG-CD2 4.29Å; L73-Y154 HydrophobicContact CD1-CD1 3.66Å; L73-Y154 HydrophobicContact CD1-CE1 4.27Å; L73-Y154 HydrophobicContact CD1-CG 4.2Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.24Å
74	F	90.9	Very high	82.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-40.9	-175.7	-79.3	19.8	0	0	0	111.5	I70 K76 V77 G78 L87 W130 I131 A134 I143 L147	I70-F74 HydrophobicContact CG2-CD1 4.02Å; I70-F74 HydrophobicContact CG2-CD2 4.13Å; I70-F74 HydrophobicContact CG2-CE1 3.97Å; I70-F74 HydrophobicContact CG2-CE2 4.07Å; I70-F74 HydrophobicContact CG2-CG 4.12Å; I70-F74 HydrophobicContact CG2-CZ 4Å; I70-F74 WeakPolarHBondContact O-CB 3.36Å; I70-F74 PolarHBondContact O-N 3.35Å; F74-K76 PolarHBondContact O-N 2.84Å; F74-V77 PolarHBondContact O-N 3.11Å; F74-V77 VanDerWaalsContact O-N 3.15Å; F74-G78 PolarHBondContact O-N 3.2Å; F74-L87 HydrophobicContact CD2-CD2 3.63Å; F74-L87 HydrophobicContact CE2-CD2 3.81Å; F74-W130 HydrophobicContact CB-CE3 3.86Å; F74-W130 HydrophobicContact CB-CZ3 3.9Å; F74-W130 AromaticContact CD2-CE3 4Å; F74-W130 HydrophobicContact CD2-CE3 4Å; F74-W130 HydrophobicContact CG-CE3 4.31Å; F74-I131 HydrophobicContact CE2-CD1 4.18Å; F74-I131 HydrophobicContact CZ-CD1 3.69Å; F74-A134 HydrophobicContact CE2-CB 4.18Å; F74-I143 HydrophobicContact CD1-CG2 4.16Å; F74-I143 HydrophobicContact CE1-CG2 3.72Å; F74-I143 HydrophobicContact CE2-CD1 4.4Å; F74-I143 HydrophobicContact CE2-CG2 4.34Å; F74-I143 HydrophobicContact CZ-CG2 3.82Å; F74-L147 HydrophobicContact CE1-CD1 4.42Å
75	M	88.1	Confident	84.1	Confident	55 Å²	55	60.6 Å²	60.6	27%	0.271	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-24.4	172.1	-69.1	-171.1	76.2	0	0	113.4	R66 A71 L73 W130	R66-M75 PolarHBondContact NH1-SD 3.14Å; A71-M75 WeakPolarHBondContact O-CB 3.47Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.43Å; A71-M75 VanDerWaalsContact O-N 3.13Å; L73-M75 PolarHBondContact O-N 3.46Å; M75-W130 HydrophobicContact CG-CH2 3.82Å; M75-W130 HydrophobicContact CG-CZ3 4.14Å; M75-W130 HydrophobicContact SD-CH2 4.17Å
76	K	89.1	Confident	86	Confident	78 Å²	78	56.5 Å²	56.5	34%	0.339	29%	0.289	S	S	.	.	H	α-helix	trans	-83.2	-23	173.8	-165.2	-177.3	-178.5	-171.8	0	112.8	R60 A72 L73 F74 Y154	R60-K76 PolarHBondContact O-NZ 3.35Å; A72-K76 VanDerWaalsContact O-CB 3.29Å; A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 PolarHBondContact O-N 3.45Å; L73-K76 CarbonylContact O-C 3.36Å; L73-K76 WeakPolarHBondContact O-CA 3.43Å; L73-K76 WeakPolarHBondContact O-CB 3.48Å; L73-K76 PolarHBondContact O-N 2.87Å; F74-K76 PolarHBondContact O-N 2.84Å; K76-Y154 HydrophobicContact CD-CD1 4.5Å; K76-Y154 HydrophobicContact CD-CE1 4.16Å; K76-Y154 HydrophobicContact CG-CE1 4.17Å
77	V	89.9	Confident	87.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-77.2	-44.1	169.6	169.3	0	0	0	0	110.5	L73 F74 K79 N80 F81 A84 Y146 L147 Y154	L73-V77 HydrophobicContact CD1-CG2 4.27Å; L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.37Å; F74-V77 PolarHBondContact O-N 3.11Å; F74-V77 VanDerWaalsContact O-N 3.15Å; V77-K79 PolarHBondContact O-N 3.13Å; V77-K79 VanDerWaalsContact O-N 3.1Å; V77-N80 PolarHBondContact O-N 3.4Å; V77-F81 HydrophobicContact CG1-CB 3.85Å; V77-F81 HydrophobicContact CG1-CD1 4.13Å; V77-F81 HydrophobicContact CG1-CG 4.38Å; V77-F81 PolarHBondContact O-N 2.99Å; V77-A84 HydrophobicContact CB-CB 4.25Å; V77-A84 HydrophobicContact CG1-CB 3.74Å; V77-Y146 HydrophobicContact CB-CE1 4.46Å; V77-Y146 HydrophobicContact CG1-CD1 3.61Å; V77-Y146 HydrophobicContact CG1-CE1 3.68Å; V77-Y146 HydrophobicContact CG2-CD1 4.48Å; V77-Y146 HydrophobicContact CG2-CE1 4.32Å; V77-L147 HydrophobicContact CG2-CD2 3.61Å; V77-L147 HydrophobicContact CG2-CG 4.36Å; V77-Y154 HydrophobicContact CG2-CE1 4.22Å
78	G	88.3	Confident	88.9	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-49.5	-40.2	-178.5	0	0	0	0	0	114.2	F74 N80 F81	F74-G78 PolarHBondContact O-N 3.2Å; G78-N80 PolarHBondContact O-N 3.49Å; G78-F81 CarbonylContact O-C 3.59Å; G78-F81 PolarHBondContact O-N 2.9Å
79	K	88.6	Confident	89.2	Confident	180 Å²	180	47.7 Å²	47.7	78%	0.783	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.9	174.9	-63.6	-166.1	176.5	-162.5	0	115.7	V77	V77-K79 PolarHBondContact O-N 3.13Å; V77-K79 VanDerWaalsContact O-N 3.1Å
80	N	88.6	Confident	89.2	Confident	98 Å²	98	46.2 Å²	46.2	52%	0.524	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-5.8	179.5	-74.6	105	0	0	0	112.6	V77 G78 Y146 K153	V77-N80 PolarHBondContact O-N 3.4Å; G78-N80 PolarHBondContact O-N 3.49Å; N80-Y146 WeakPolarHBondContact CB-OH 3.46Å; N80-K153 PolarHBondContact OD1-NZ 3.05Å; N80-K153 VanDerWaalsContact OD1-NZ 3.11Å
81	F	91.9	Very high	89.1	Confident	41 Å²	41	46.1 Å²	46.1	18%	0.18	23%	0.227	C	C	.	.			trans	-147.5	96.2	-170.7	-173.7	-113.4	0	0	0	110.6	V77 G78 P83 A84 E85 K142 I143 Y146	V77-F81 HydrophobicContact CG1-CB 3.85Å; V77-F81 HydrophobicContact CG1-CD1 4.13Å; V77-F81 HydrophobicContact CG1-CG 4.38Å; V77-F81 PolarHBondContact O-N 2.99Å; G78-F81 CarbonylContact O-C 3.59Å; G78-F81 PolarHBondContact O-N 2.9Å; F81-P83 VanDerWaalsContact C-CD 3.44Å; F81-P83 HydrophobicContact CD1-CB 4.31Å; F81-P83 HydrophobicContact CD1-CG 4.37Å; F81-P83 HydrophobicContact CE1-CB 3.76Å; F81-P83 HydrophobicContact CE1-CG 3.83Å; F81-P83 HydrophobicContact CE2-CG 4.25Å; F81-P83 HydrophobicContact CZ-CB 4.16Å; F81-P83 HydrophobicContact CZ-CG 3.75Å; F81-A84 HydrophobicContact CD1-CB 3.96Å; F81-A84 PolarHBondContact O-N 3.38Å; F81-E85 PolarHBondContact O-N 3.17Å; F81-K142 HydrophobicContact CE1-CB 4.49Å; F81-K142 HydrophobicContact CZ-CB 4.07Å; F81-I143 HydrophobicContact CD1-CG1 4.34Å; F81-I143 HydrophobicContact CE1-CG1 3.91Å; F81-Y146 HydrophobicContact CB-CD1 4.45Å; F81-Y146 HydrophobicContact CB-CD2 4.21Å; F81-Y146 HydrophobicContact CB-CE1 4.38Å; F81-Y146 HydrophobicContact CB-CE2 4.11Å; F81-Y146 HydrophobicContact CB-CG 4.38Å; F81-Y146 AromaticContact CD2-CD2 3.77Å; F81-Y146 HydrophobicContact CD2-CD2 3.77Å; F81-Y146 HydrophobicContact CD2-CE2 4.28Å; F81-Y146 HydrophobicContact CD2-CG 4.17Å; F81-Y146 HydrophobicContact CE2-CD2 4.37Å; F81-Y146 HydrophobicContact CG-CD2 4.04Å; F81-Y146 HydrophobicContact CG-CE2 4.42Å; F81-Y146 HydrophobicContact CG-CG 4.1Å
82	P	89.6	Confident	89.1	Confident	82 Å²	82	49.1 Å²	49.1	53%	0.532	24%	0.24	S	C	.	.	H	α-helix	trans	-52.6	-38.3	-170.3	-28.9	35.2	0	0	0	116.6	A84 E85 D86	P82-A84 PolarHBondContact O-N 3.06Å; P82-A84 VanDerWaalsContact O-N 3.15Å; P82-E85 WeakPolarHBondContact O-CA 3.47Å; P82-E85 WeakPolarHBondContact O-CB 3.22Å; P82-E85 PolarHBondContact O-N 2.95Å; P82-D86 PolarHBondContact O-N 3.05Å
83	P	88.6	Confident	89	Confident	42 Å²	42	52.9 Å²	52.9	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-27.9	177.6	-25.2	35.5	0	0	0	114.1	F81 L87 V139	F81-P83 VanDerWaalsContact C-CD 3.44Å; F81-P83 HydrophobicContact CD1-CB 4.31Å; F81-P83 HydrophobicContact CD1-CG 4.37Å; F81-P83 HydrophobicContact CE1-CB 3.76Å; F81-P83 HydrophobicContact CE1-CG 3.83Å; F81-P83 HydrophobicContact CE2-CG 4.25Å; F81-P83 HydrophobicContact CZ-CB 4.16Å; F81-P83 HydrophobicContact CZ-CG 3.75Å; P83-L87 VanDerWaalsContact O-CB 3.31Å; P83-L87 WeakPolarHBondContact O-CB 3.46Å; P83-L87 PolarHBondContact O-N 2.8Å; P83-L87 VanDerWaalsContact O-N 3.15Å; P83-V139 HydrophobicContact CB-CG1 4.23Å
84	A	88.9	Confident	88.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-80.7	-22.9	172.8	0	0	0	0	0	112.8	V77 F81 P82 S88 I143	V77-A84 HydrophobicContact CB-CB 4.25Å; V77-A84 HydrophobicContact CG1-CB 3.74Å; F81-A84 HydrophobicContact CD1-CB 3.96Å; F81-A84 PolarHBondContact O-N 3.38Å; P82-A84 PolarHBondContact O-N 3.06Å; P82-A84 VanDerWaalsContact O-N 3.15Å; A84-S88 VanDerWaalsContact O-CB 3.25Å; A84-S88 WeakPolarHBondContact O-CB 3.43Å; A84-S88 PolarHBondContact O-N 3Å; A84-S88 PolarHBondContact O-OG 3.45Å; A84-I143 HydrophobicContact CB-CD1 4.14Å; A84-I143 HydrophobicContact CB-CG1 4.23Å
85	E	89.6	Confident	88.3	Confident	81 Å²	81	59.3 Å²	59.3	38%	0.379	29%	0.289	S	S	.	.	H	α-helix	trans	-72.6	-46.4	171.1	-167.2	-169.3	135.7	0	0	110.9	F81 P82 S88 R89	F81-E85 PolarHBondContact O-N 3.17Å; P82-E85 WeakPolarHBondContact O-CA 3.47Å; P82-E85 WeakPolarHBondContact O-CB 3.22Å; P82-E85 PolarHBondContact O-N 2.95Å; E85-S88 WeakPolarHBondContact O-CB 3.41Å; E85-S88 PolarHBondContact O-N 2.95Å; E85-S88 VanDerWaalsContact O-N 3.11Å; E85-R89 PolarHBondContact O-N 3.31Å; E85-R89 IonicContact OE1-CZ 3.79Å; E85-R89 IonicContact OE1-NH1 3.87Å; E85-R89 PolarHBondContact OE1-NH1 3.37Å; E85-R89 IonicContact OE1-NH2 3.75Å; E85-R89 PolarHBondContact OE1-NH2 3.15Å
86	D	89.6	Confident	88.1	Confident	78 Å²	78	63.1 Å²	63.1	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-45.3	175.6	-73.7	-42.1	0	0	0	111.9	P82 S88 R89 K90	P82-D86 PolarHBondContact O-N 3.05Å; D86-S88 VanDerWaalsContact C-N 3.34Å; D86-S88 PolarHBondContact O-N 3.03Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 IonicContact OD1-CZ 2.66Å; D86-R89 IonicContact OD1-NE 2.71Å; D86-R89 IonicContact OD1-NH2 3.37Å; D86-R89 PolarHBondContact OD1-NH2 2.96Å; D86-K90 PolarHBondContact O-N 3.03Å; D86-K90 VanDerWaalsContact O-N 3.08Å
87	L	91.3	Very high	87.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-45.7	170.7	175.9	66.6	0	0	0	111.6	F74 P83 R89 K90 V91 T133 A134 V139 I143	F74-L87 HydrophobicContact CD2-CD2 3.63Å; F74-L87 HydrophobicContact CE2-CD2 3.81Å; P83-L87 VanDerWaalsContact O-CB 3.31Å; P83-L87 WeakPolarHBondContact O-CB 3.46Å; P83-L87 PolarHBondContact O-N 2.8Å; P83-L87 VanDerWaalsContact O-N 3.15Å; L87-R89 VanDerWaalsContact C-N 3.29Å; L87-R89 PolarHBondContact O-N 3.39Å; L87-K90 PolarHBondContact O-N 2.81Å; L87-V91 HydrophobicContact CD1-CG2 3.9Å; L87-V91 HydrophobicContact CG-CG2 4.33Å; L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 3.34Å; L87-T133 HydrophobicContact CD1-CG2 3.65Å; L87-A134 HydrophobicContact CD1-CB 4.28Å; L87-A134 HydrophobicContact CD2-CB 3.59Å; L87-V139 HydrophobicContact CD2-CG2 4.34Å; L87-I143 HydrophobicContact CD2-CD1 3.48Å; L87-I143 VanDerWaalsContact CD2-CD1 3.48Å
88	S	89.8	Confident	87	Confident	5 Å²	5	65.3 Å²	65.3	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-36.9	-179.8	-65.9	0	0	0	0	112.2	A84 E85 D86 Q92	A84-S88 VanDerWaalsContact O-CB 3.25Å; A84-S88 WeakPolarHBondContact O-CB 3.43Å; A84-S88 PolarHBondContact O-N 3Å; A84-S88 PolarHBondContact O-OG 3.45Å; E85-S88 WeakPolarHBondContact O-CB 3.41Å; E85-S88 PolarHBondContact O-N 2.95Å; E85-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 VanDerWaalsContact C-N 3.34Å; D86-S88 PolarHBondContact O-N 3.03Å; S88-Q92 WeakPolarHBondContact O-CG 3.45Å; S88-Q92 PolarHBondContact O-N 3.29Å; S88-Q92 PolarHBondContact O-NE2 3.18Å
89	R	88.6	Confident	86.5	Confident	116 Å²	116	69.2 Å²	69.2	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-57.7	171.6	-76.8	-170.6	-85.4	-98.5	-2.2	110.8	E85 D86 L87 V91 Q92 D93	E85-R89 PolarHBondContact O-N 3.31Å; E85-R89 IonicContact OE1-CZ 3.79Å; E85-R89 IonicContact OE1-NH1 3.87Å; E85-R89 PolarHBondContact OE1-NH1 3.37Å; E85-R89 IonicContact OE1-NH2 3.75Å; E85-R89 PolarHBondContact OE1-NH2 3.15Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 IonicContact OD1-CZ 2.66Å; D86-R89 IonicContact OD1-NE 2.71Å; D86-R89 IonicContact OD1-NH2 3.37Å; D86-R89 PolarHBondContact OD1-NH2 2.96Å; L87-R89 VanDerWaalsContact C-N 3.29Å; L87-R89 PolarHBondContact O-N 3.39Å; R89-V91 VanDerWaalsContact C-N 3.26Å; R89-V91 PolarHBondContact O-N 3.36Å; R89-V91 VanDerWaalsContact O-N 3.17Å; R89-Q92 WeakPolarHBondContact O-CB 3.34Å; R89-Q92 PolarHBondContact O-N 3.21Å; R89-D93 PolarHBondContact O-N 3.43Å
90	K	87	Confident	85.9	Confident	87 Å²	87	63.4 Å²	63.4	38%	0.378	32%	0.321	S	S	.	.	H	α-helix	trans	-54.1	-39.3	-178	-72.4	-175.5	172	-168.5	0	113.4	D86 L87 L94 E137	D86-K90 PolarHBondContact O-N 3.03Å; D86-K90 VanDerWaalsContact O-N 3.08Å; L87-K90 PolarHBondContact O-N 2.81Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.48Å; K90-L94 PolarHBondContact O-N 3.3Å; K90-L94 VanDerWaalsContact O-N 3.12Å; K90-E137 HydrophobicContact CD-CG 4.34Å; K90-E137 VanDerWaalsContact CD-OE1 3.3Å; K90-E137 WeakPolarHBondContact CD-OE1 3.32Å; K90-E137 IonicContact NZ-OE1 2.74Å; K90-E137 PolarHBondContact NZ-OE1 2.93Å; K90-E137 IonicContact NZ-OE2 3.35Å; K90-E137 PolarHBondContact NZ-OE2 3.42Å
91	V	88.2	Confident	84.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-36.9	178.1	-178.7	0	0	0	0	112	L87 R89 L94 E95 L129 W130 T133	L87-V91 HydrophobicContact CD1-CG2 3.9Å; L87-V91 HydrophobicContact CG-CG2 4.33Å; L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 3.34Å; R89-V91 VanDerWaalsContact C-N 3.26Å; R89-V91 PolarHBondContact O-N 3.36Å; R89-V91 VanDerWaalsContact O-N 3.17Å; V91-L94 PolarHBondContact O-N 3.25Å; V91-E95 HydrophobicContact CG1-CG 4.32Å; V91-E95 WeakPolarHBondContact O-CB 3.46Å; V91-E95 WeakPolarHBondContact O-CG 3.31Å; V91-E95 PolarHBondContact O-N 2.91Å; V91-L129 HydrophobicContact CG1-CD2 3.92Å; V91-L129 HydrophobicContact CG1-CG 4.04Å; V91-W130 HydrophobicContact CB-CD2 4.29Å; V91-W130 HydrophobicContact CB-CH2 4.43Å; V91-W130 HydrophobicContact CB-CZ2 4.16Å; V91-W130 HydrophobicContact CG1-CD2 3.78Å; V91-W130 HydrophobicContact CG1-CG 3.96Å; V91-W130 HydrophobicContact CG1-CZ2 3.8Å; V91-W130 VanDerWaalsContact CG1-NE1 3.33Å; V91-T133 HydrophobicContact CG2-CG2 3.8Å
92	Q	86.6	Confident	83.7	Confident	69 Å²	69	63.3 Å²	63.3	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-39	173.8	-77.7	166.5	87.8	0	0	112.2	S88 R89 L94 E95 Q96	S88-Q92 WeakPolarHBondContact O-CG 3.45Å; S88-Q92 PolarHBondContact O-N 3.29Å; S88-Q92 PolarHBondContact O-NE2 3.18Å; R89-Q92 WeakPolarHBondContact O-CB 3.34Å; R89-Q92 PolarHBondContact O-N 3.21Å; Q92-L94 VanDerWaalsContact C-N 3.33Å; Q92-L94 PolarHBondContact O-N 3.39Å; Q92-E95 PolarHBondContact O-N 3.5Å; Q92-Q96 WeakPolarHBondContact O-CG 3.49Å; Q92-Q96 PolarHBondContact O-N 3.46Å
93	D	86	Confident	82.4	Confident	91 Å²	91	63.8 Å²	63.8	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-39.4	175.1	-58.2	-33.5	0	0	0	111.3	R89 L97	R89-D93 PolarHBondContact O-N 3.43Å; D93-L97 WeakPolarHBondContact O-CB 3.39Å; D93-L97 PolarHBondContact O-N 3.38Å
94	L	81.9	Confident	80.9	Confident	58 Å²	58	67.7 Å²	67.7	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-40.8	174.2	-72.3	169.5	0	0	0	112.8	K90 V91 Q92 Q96 L97 I98 T133	K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.48Å; K90-L94 PolarHBondContact O-N 3.3Å; K90-L94 VanDerWaalsContact O-N 3.12Å; V91-L94 PolarHBondContact O-N 3.25Å; Q92-L94 VanDerWaalsContact C-N 3.33Å; Q92-L94 PolarHBondContact O-N 3.39Å; L94-Q96 VanDerWaalsContact C-N 3.35Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-I98 WeakPolarHBondContact O-CD1 3.34Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.46Å; L94-I98 PolarHBondContact O-N 2.97Å; L94-T133 HydrophobicContact CD1-CG2 4.35Å
95	E	84.2	Confident	79.4	Confident	77 Å²	77	74.7 Å²	74.7	36%	0.36	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-41.8	175.3	-75.5	175.1	167.8	0	0	110.9	V91 Q92 I98 E99 L129 W130	V91-E95 HydrophobicContact CG1-CG 4.32Å; V91-E95 WeakPolarHBondContact O-CB 3.46Å; V91-E95 WeakPolarHBondContact O-CG 3.31Å; V91-E95 PolarHBondContact O-N 2.91Å; Q92-E95 PolarHBondContact O-N 3.5Å; E95-I98 PolarHBondContact O-N 2.91Å; E95-E99 WeakPolarHBondContact O-CB 3.3Å; E95-E99 PolarHBondContact O-N 2.84Å; E95-L129 HydrophobicContact CG-CD2 3.81Å; E95-W130 PolarHBondContact OE1-NE1 3.41Å
96	Q	83.2	Confident	77.5	Confident	135 Å²	135	79.1 Å²	79.1	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-64.8	-41.5	173.4	-71.8	-179.5	34.2	0	0	112.8	Q92 L94 E99 S100	Q92-Q96 WeakPolarHBondContact O-CG 3.49Å; Q92-Q96 PolarHBondContact O-N 3.46Å; L94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-E99 PolarHBondContact O-N 3.1Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.37Å; Q96-S100 PolarHBondContact O-OG 2.73Å
97	L	79.6	Confident	75.7	Confident	99 Å²	99	77.7 Å²	77.7	52%	0.518	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-48	174.8	-90.6	162.1	0	0	0	111.8	D93 L94 E99 S100 A101	D93-L97 WeakPolarHBondContact O-CB 3.39Å; D93-L97 PolarHBondContact O-N 3.38Å; L94-L97 PolarHBondContact O-N 3.41Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 3.04Å; L97-S100 PolarHBondContact O-N 3.45Å; L97-S100 PolarHBondContact O-OG 2.95Å; L97-A101 PolarHBondContact O-N 3.15Å; L97-A101 VanDerWaalsContact O-N 3.07Å
98	I	78.1	Confident	73.4	Confident	25 Å²	25	86.1 Å²	86.1	13%	0.128	43%	0.431	C	S	.	.	H	α-helix	trans	-60.8	-42.4	178.5	-69.1	163	0	0	0	111	L94 E95 A101 R102 L121 I126 L129	L94-I98 WeakPolarHBondContact O-CD1 3.34Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.46Å; L94-I98 PolarHBondContact O-N 2.97Å; E95-I98 PolarHBondContact O-N 2.91Å; I98-A101 PolarHBondContact O-N 3.18Å; I98-R102 PolarHBondContact O-N 3.27Å; I98-L121 HydrophobicContact CD1-CD1 4.06Å; I98-I126 HydrophobicContact CG2-CD1 4.43Å; I98-L129 HydrophobicContact CD1-CD2 4.35Å
99	E	77.4	Confident	71.4	Confident	85 Å²	85	93.2 Å²	93.2	40%	0.397	46%	0.464	S	S	.	.	H	α-helix	trans	-72.5	-38	-179.3	-162.9	52.5	-139.3	0	0	112.2	E95 Q96 L97 A101 R102 N103	E95-E99 WeakPolarHBondContact O-CB 3.3Å; E95-E99 PolarHBondContact O-N 2.84Å; Q96-E99 PolarHBondContact O-N 3.1Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E99 PolarHBondContact O-N 3.04Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.12Å; E99-R102 PolarHBondContact O-N 3.36Å; E99-R102 WeakPolarHBondContact OE2-CD 3.31Å; E99-R102 IonicContact OE2-CZ 3.39Å; E99-R102 IonicContact OE2-NH1 2.67Å; E99-R102 PolarHBondContact OE2-NH1 3.39Å; E99-N103 PolarHBondContact O-N 3.22Å; E99-N103 VanDerWaalsContact O-N 3.13Å; E99-N103 PolarHBondContact O-ND2 2.8Å; E99-N103 PolarHBondContact OE1-ND2 3.07Å
100	S	75.4	Confident	69.3	Low	59 Å²	59	95 Å²	95	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-37.2	172.9	75	0	0	0	0	112.4	Q96 L97 N103 Q104	Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.37Å; Q96-S100 PolarHBondContact O-OG 2.73Å; L97-S100 PolarHBondContact O-N 3.45Å; L97-S100 PolarHBondContact O-OG 2.95Å; S100-N103 PolarHBondContact O-N 3.18Å; S100-Q104 WeakPolarHBondContact O-CG 3.25Å; S100-Q104 PolarHBondContact O-N 3.17Å
101	A	66.6	Low	66.7	Low	13 Å²	13	98.7 Å²	98.7	11%	0.107	50%	0.501	C	S	.	.	H	α-helix	trans	-67.2	-41	177.1	0	0	0	0	0	112.2	L97 I98 E99 Q104 I105 L118	L97-A101 PolarHBondContact O-N 3.15Å; L97-A101 VanDerWaalsContact O-N 3.07Å; I98-A101 PolarHBondContact O-N 3.18Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.12Å; A101-Q104 PolarHBondContact O-N 3.45Å; A101-I105 WeakPolarHBondContact O-CG1 3.29Å; A101-I105 PolarHBondContact O-N 3.3Å; A101-I105 VanDerWaalsContact O-N 3.17Å; A101-L118 HydrophobicContact CB-CD1 4.31Å; A101-L118 HydrophobicContact CB-CD2 3.64Å
102	R	66.9	Low	65.2	Low	124 Å²	124	105 Å²	105	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-60.5	-46.2	175.2	-74.6	173	176.9	154.7	-1.4	112	I98 E99 Q104 I105 Q106	I98-R102 PolarHBondContact O-N 3.27Å; E99-R102 PolarHBondContact O-N 3.36Å; E99-R102 WeakPolarHBondContact OE2-CD 3.31Å; E99-R102 IonicContact OE2-CZ 3.39Å; E99-R102 IonicContact OE2-NH1 2.67Å; E99-R102 PolarHBondContact OE2-NH1 3.39Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 3.17Å; R102-I105 PolarHBondContact O-N 3Å; R102-Q106 PolarHBondContact O-N 3.12Å
103	N	64.1	Low	63	Low	92 Å²	92	113 Å²	113	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-29.2	-178.6	-72.6	-85.1	0	0	0	112	E99 S100 Q106	E99-N103 PolarHBondContact O-N 3.22Å; E99-N103 VanDerWaalsContact O-N 3.13Å; E99-N103 PolarHBondContact O-ND2 2.8Å; E99-N103 PolarHBondContact OE1-ND2 3.07Å; S100-N103 PolarHBondContact O-N 3.18Å; N103-Q106 PolarHBondContact O-N 3.42Å
104	Q	56.9	Low	61.1	Low	124 Å²	124	118.6 Å²	118.6	58%	0.579	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-37.2	169.7	-77.6	-176.1	-11.2	0	0	113.3	S100 A101 R102 Q106 G107	S100-Q104 WeakPolarHBondContact O-CG 3.25Å; S100-Q104 PolarHBondContact O-N 3.17Å; A101-Q104 PolarHBondContact O-N 3.45Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 3.17Å; Q104-Q106 PolarHBondContact O-N 3.23Å; Q104-G107 PolarHBondContact O-N 2.85Å; Q104-G107 VanDerWaalsContact O-N 3.14Å
105	I	56	Low	58.8	Low	146 Å²	146	121.9 Å²	121.9	75%	0.749	60%	0.604	S	S	*	*	H	α-helix	trans	-65.7	-21.8	178.5	-68.5	163.1	0	0	0	112.1	A101 R102	A101-I105 WeakPolarHBondContact O-CG1 3.29Å; A101-I105 PolarHBondContact O-N 3.3Å; A101-I105 VanDerWaalsContact O-N 3.17Å; R102-I105 PolarHBondContact O-N 3Å
106	Q	50.4	Low	56.5	Low	175 Å²	175	123.3 Å²	123.3	82%	0.818	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	2.8	177.1	-114.9	168.2	-3.4	0	0	114.2	R102 N103 Q104	R102-Q106 PolarHBondContact O-N 3.12Å; N103-Q106 PolarHBondContact O-N 3.42Å; Q104-Q106 PolarHBondContact O-N 3.23Å
107	G	50.7	Low	54.3	Low	48 Å²	48	127.1 Å²	127.1	50%	0.495	63%	0.634	S	S	.	*	S	Bend	trans	-127.3	100.8	-170.7	0	0	0	0	0	115.7	Q104	Q104-G107 PolarHBondContact O-N 2.85Å; Q104-G107 VanDerWaalsContact O-N 3.14Å
108	L	44.3	Very low	52.5	Low	180 Å²	180	126 Å²	126	94%	0.942	63%	0.628	S	S	*	*			trans	74.9	143.1	164.1	-107.8	76.5	0	0	0	120.8
109	Q	47.6	Very low	51.2	Low	154 Å²	154	128.7 Å²	128.7	72%	0.72	65%	0.648	S	S	*	*			trans	-65.9	162.5	159.2	-83.1	168.1	-108	0	0	112.4
110	E	44.6	Very low	50	Low	155 Å²	155	131.9 Å²	131.9	72%	0.724	67%	0.668	S	S	*	*			trans	53.4	92.3	149.8	-71	167.2	-131.9	0	0	117.9
111	N	32.7	Very low	49.5	Very low	164 Å²	164	131.2 Å²	131.2	88%	0.877	66%	0.659	S	S	*	*				-172.8	157.3	102.1	-104.2	-82.7	0	0	0	112.4
112	V	55.2	Low	49.6	Very low	131 Å²	131	132.7 Å²	132.7	79%	0.794	67%	0.669	S	S	*	*			trans	-98.5	120.1	-172.1	177.9	0	0	0	0	112.5
113	R	41.3	Very low	49.6	Very low	238 Å²	238	132.2 Å²	132.2	90%	0.898	68%	0.681	S	S	*	*	S	Bend	trans	-172.8	127.3	143.9	-100.1	143.6	-164.1	-154.9	4	113.6
114	K	46.6	Very low	49.7	Very low	209 Å²	209	132.7 Å²	132.7	91%	0.909	68%	0.684	S	S	*	*			trans	40.3	82.2	161.1	-64.7	-171.8	177.6	-176.8	0	117.5
115	L	33.7	Very low	50.4	Low	127 Å²	127	126.9 Å²	126.9	67%	0.665	66%	0.657	S	S	*	*			trans	-83.8	141.7	167.1	-165	73	0	0	0	111.6	L118	L115-L118 HydrophobicContact CD2-CD1 4.34Å
116	P	35.9	Very low	51.4	Low	107 Å²	107	122.5 Å²	122.5	70%	0.695	63%	0.634	S	S	*	*			trans	-62.6	147.9	164.3	-19.7	32.9	0	0	0	111.6	L118	P116-L118 PolarHBondContact O-N 3.27Å; P116-L118 VanDerWaalsContact O-N 3.09Å
117	K	37.4	Very low	52.8	Low	214 Å²	214	120.2 Å²	120.2	93%	0.93	62%	0.621	S	S	*	*			trans	-69.9	107.7	175.4	-73.4	-173.4	177.2	-177.8	0	110.4
118	L	40	Very low	54.5	Low	76 Å²	76	118.3 Å²	118.3	40%	0.398	60%	0.6	S	S	.	*			trans	-67.3	145.9	174.1	-78.7	161.5	0	0	0	111.9	A101 L115 P116 N120	A101-L118 HydrophobicContact CB-CD1 4.31Å; A101-L118 HydrophobicContact CB-CD2 3.64Å; L115-L118 HydrophobicContact CD2-CD1 4.34Å; P116-L118 PolarHBondContact O-N 3.27Å; P116-L118 VanDerWaalsContact O-N 3.09Å; L118-N120 PolarHBondContact O-N 2.98Å
119	P	50.7	Low	56.6	Low	82 Å²	82	110.3 Å²	110.3	53%	0.532	56%	0.558	S	S	.	*			trans	-80.7	109.7	173.3	31.9	-32.2	0	0	0	110.7	L121	P119-L121 HydrophobicContact CB-CG 4.39Å; P119-L121 PolarHBondContact O-N 3.31Å
120	N	53.5	Low	58.7	Low	152 Å²	152	103.2 Å²	103.2	81%	0.813	52%	0.524	S	S	*	.			trans	-73.7	68	175.5	-75.4	0.2	0	0	0	111.9	L118	L118-N120 PolarHBondContact O-N 2.98Å
121	L	63.8	Low	61	Low	45 Å²	45	95.9 Å²	95.9	24%	0.236	49%	0.49	C	S	.	.			trans	-73.5	135.6	176.1	-68	170.7	0	0	0	111.3	I98 P119 A125 I126	I98-L121 HydrophobicContact CD1-CD1 4.06Å; P119-L121 HydrophobicContact CB-CG 4.39Å; P119-L121 PolarHBondContact O-N 3.31Å; L121-A125 HydrophobicContact CD2-CB 4.34Å; L121-I126 HydrophobicContact CB-CD1 4.45Å; L121-I126 HydrophobicContact CB-CG1 4.04Å
122	S	68.6	Low	63.7	Low	44 Å²	44	88.5 Å²	88.5	31%	0.308	45%	0.45	S	S	.	.			trans	-69.7	154.7	175	74.7	0	0	0	0	111.8	L124 A125 I126	S122-L124 PolarHBondContact O-N 2.96Å; S122-L124 VanDerWaalsContact O-N 3.13Å; S122-A125 WeakPolarHBondContact O-CB 3.27Å; S122-A125 PolarHBondContact O-N 3.49Å; S122-A125 WeakPolarHBondContact OG-CB 3.48Å; S122-A125 PolarHBondContact OG-N 3.27Å; S122-A125 VanDerWaalsContact OG-N 3.16Å; S122-I126 WeakPolarHBondContact O-CG1 3.48Å; S122-I126 PolarHBondContact O-N 3.48Å
123	P	66.6	Low	65.4	Low	113 Å²	113	82.9 Å²	82.9	73%	0.734	42%	0.416	S	S	*	.	H	α-helix	trans	-56	-31.1	176.3	-26.9	35.6	0	0	0	113.7	K127	P123-K127 PolarHBondContact O-N 3.43Å; P123-K127 VanDerWaalsContact O-N 3.12Å
124	L	67.3	Low	67.8	Low	103 Å²	103	71.6 Å²	71.6	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-72.9	-37.1	175.5	-74.4	160.5	0	0	0	112.6	I43 S122 I126 K127 H128	I43-L124 HydrophobicContact CD1-CB 4.18Å; I43-L124 HydrophobicContact CG2-CB 4.05Å; S122-L124 PolarHBondContact O-N 2.96Å; S122-L124 VanDerWaalsContact O-N 3.13Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-K127 PolarHBondContact O-N 2.66Å; L124-H128 PolarHBondContact O-N 3.35Å
125	A	70.6	Confident	69.9	Low	2 Å²	2	61.6 Å²	61.6	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-36.8	172.7	0	0	0	0	0	111.9	L121 S122 L129	L121-A125 HydrophobicContact CD2-CB 4.34Å; S122-A125 WeakPolarHBondContact O-CB 3.27Å; S122-A125 PolarHBondContact O-N 3.49Å; S122-A125 WeakPolarHBondContact OG-CB 3.48Å; S122-A125 PolarHBondContact OG-N 3.27Å; S122-A125 VanDerWaalsContact OG-N 3.16Å; A125-L129 PolarHBondContact O-N 3.11Å
126	I	77.3	Confident	72.5	Confident	53 Å²	53	57.7 Å²	57.7	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-39.2	175.2	-63.4	170.1	0	0	0	111.1	I98 L121 S122 L124 H128 L129	I98-I126 HydrophobicContact CG2-CD1 4.43Å; L121-I126 HydrophobicContact CB-CD1 4.45Å; L121-I126 HydrophobicContact CB-CG1 4.04Å; S122-I126 WeakPolarHBondContact O-CG1 3.48Å; S122-I126 PolarHBondContact O-N 3.48Å; L124-I126 VanDerWaalsContact C-N 3.34Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 3.25Å; I126-L129 VanDerWaalsContact O-CB 3.31Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 PolarHBondContact O-N 2.99Å
127	K	80.4	Confident	75.1	Confident	127 Å²	127	56.6 Å²	56.6	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-57.4	-43.2	177.7	-178.1	-173.6	168.3	-140.8	0	112.6	P123 L124	P123-K127 PolarHBondContact O-N 3.43Å; P123-K127 VanDerWaalsContact O-N 3.12Å; L124-K127 PolarHBondContact O-N 2.66Å
128	H	86.8	Confident	77.6	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.042	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	19.4	-175.4	-65	-64.3	0	0	0	113.6	C46 E50 L124 I126 W130 I131 R132	C46-H128 HydrophobicContact CB-CB 3.94Å; E50-H128 IonicContact OE1-CE1 3.39Å; E50-H128 IonicContact OE1-ND1 3.6Å; E50-H128 IonicContact OE2-CE1 2.73Å; E50-H128 PolarHBondContact OE2-CE1 3.08Å; E50-H128 IonicContact OE2-CG 3.45Å; E50-H128 IonicContact OE2-ND1 3.67Å; E50-H128 PolarHBondContact OE2-ND1 3.36Å; L124-H128 PolarHBondContact O-N 3.35Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 3.25Å; H128-W130 VanDerWaalsContact C-N 3.33Å; H128-W130 PolarHBondContact O-N 2.99Å; H128-I131 PolarHBondContact O-N 2.93Å; H128-I131 VanDerWaalsContact O-N 3.15Å; H128-R132 PolarHBondContact O-N 3.47Å
129	L	87.9	Confident	80	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-49.1	-46.6	-172.2	-179.5	63.7	0	0	0	113.7	V91 E95 I98 A125 I126 I131 R132 T133	V91-L129 HydrophobicContact CG1-CD2 3.92Å; V91-L129 HydrophobicContact CG1-CG 4.04Å; E95-L129 HydrophobicContact CG-CD2 3.81Å; I98-L129 HydrophobicContact CD1-CD2 4.35Å; A125-L129 PolarHBondContact O-N 3.11Å; I126-L129 VanDerWaalsContact O-CB 3.31Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 PolarHBondContact O-N 2.99Å; L129-I131 PolarHBondContact O-N 2.99Å; L129-R132 PolarHBondContact O-N 3.35Å; L129-T133 PolarHBondContact O-N 2.94Å; L129-T133 PolarHBondContact O-OG1 3.36Å; L129-T133 VanDerWaalsContact O-OG1 3.1Å
130	W	91.1	Very high	82	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-36.4	-175.7	-75.6	69.5	0	0	0	113.6	I70 A71 F74 M75 V91 E95 H128 A134	I70-W130 HydrophobicContact CB-CB 4.46Å; I70-W130 HydrophobicContact CG2-CB 3.64Å; I70-W130 HydrophobicContact CG2-CG 4.4Å; A71-W130 HydrophobicContact CB-CD2 3.81Å; A71-W130 HydrophobicContact CB-CE3 4.28Å; A71-W130 HydrophobicContact CB-CG 4.39Å; A71-W130 HydrophobicContact CB-CH2 4.05Å; A71-W130 HydrophobicContact CB-CZ2 3.53Å; A71-W130 HydrophobicContact CB-CZ3 4.39Å; F74-W130 HydrophobicContact CB-CE3 3.86Å; F74-W130 HydrophobicContact CB-CZ3 3.9Å; F74-W130 AromaticContact CD2-CE3 4Å; F74-W130 HydrophobicContact CD2-CE3 4Å; F74-W130 HydrophobicContact CG-CE3 4.31Å; M75-W130 HydrophobicContact CG-CH2 3.82Å; M75-W130 HydrophobicContact CG-CZ3 4.14Å; M75-W130 HydrophobicContact SD-CH2 4.17Å; V91-W130 HydrophobicContact CB-CD2 4.29Å; V91-W130 HydrophobicContact CB-CH2 4.43Å; V91-W130 HydrophobicContact CB-CZ2 4.16Å; V91-W130 HydrophobicContact CG1-CD2 3.78Å; V91-W130 HydrophobicContact CG1-CG 3.96Å; V91-W130 HydrophobicContact CG1-CZ2 3.8Å; V91-W130 VanDerWaalsContact CG1-NE1 3.33Å; E95-W130 PolarHBondContact OE1-NE1 3.41Å; H128-W130 VanDerWaalsContact C-N 3.33Å; H128-W130 PolarHBondContact O-N 2.99Å; W130-A134 WeakPolarHBondContact O-CB 3.32Å; W130-A134 PolarHBondContact O-N 3.49Å
131	I	92.9	Very high	83.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-78.1	-41	175.5	-57.7	-59.1	0	0	0	110.4	C46 V49 E50 I70 F74 H128 L129 A134 L135 L140	C46-I131 HydrophobicContact CB-CB 4.22Å; C46-I131 HydrophobicContact CB-CG2 3.94Å; V49-I131 HydrophobicContact CB-CG2 4.32Å; V49-I131 HydrophobicContact CG1-CG2 4.32Å; E50-I131 HydrophobicContact CB-CG1 4.23Å; I70-I131 HydrophobicContact CD1-CD1 4.35Å; I70-I131 HydrophobicContact CG1-CD1 4.48Å; I70-I131 HydrophobicContact CG2-CD1 3.87Å; I70-I131 HydrophobicContact CG2-CG1 4.39Å; F74-I131 HydrophobicContact CE2-CD1 4.18Å; F74-I131 HydrophobicContact CZ-CD1 3.69Å; H128-I131 PolarHBondContact O-N 2.93Å; H128-I131 VanDerWaalsContact O-N 3.15Å; L129-I131 PolarHBondContact O-N 2.99Å; I131-A134 WeakPolarHBondContact O-CB 3.38Å; I131-A134 PolarHBondContact O-N 3.34Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 PolarHBondContact O-N 3.17Å; I131-L140 HydrophobicContact CD1-CD1 4.2Å; I131-L140 HydrophobicContact CG2-CD1 4.14Å; I131-L140 HydrophobicContact CG2-CD2 3.79Å
132	R	90.8	Very high	85.1	Confident	9 Å²	9	38.9 Å²	38.9	3%	0.034	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-43.1	178.6	-179.3	169.4	160	157.6	-12	112.4	E37 D38 I42 H128 L129 L135 F136	E37-R132 PolarHBondContact O-NH1 3.49Å; E37-R132 PolarHBondContact O-NH2 3.28Å; E37-R132 VanDerWaalsContact O-NH2 3.14Å; D38-R132 IonicContact OD1-CZ 3.76Å; D38-R132 IonicContact OD1-NH1 3.08Å; D38-R132 PolarHBondContact OD1-NH1 3.35Å; D38-R132 IonicContact OD1-NH2 3.25Å; D38-R132 PolarHBondContact OD1-NH2 3.02Å; I42-R132 HydrophobicContact CG2-CG 4.34Å; H128-R132 PolarHBondContact O-N 3.47Å; L129-R132 PolarHBondContact O-N 3.35Å; R132-L135 WeakPolarHBondContact O-CB 3.28Å; R132-L135 PolarHBondContact O-N 2.97Å; R132-F136 HydrophobicContact CG-CD2 4.22Å; R132-F136 HydrophobicContact CG-CE1 4.13Å; R132-F136 HydrophobicContact CG-CE2 3.65Å; R132-F136 HydrophobicContact CG-CZ 3.59Å; R132-F136 VanDerWaalsContact O-CG 3.32Å; R132-F136 WeakPolarHBondContact O-CG 3.38Å; R132-F136 PolarHBondContact O-N 2.96Å; R132-F136 VanDerWaalsContact O-N 3.07Å
133	T	89.8	Confident	86.3	Confident	14 Å²	14	36.8 Å²	36.8	9%	0.086	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-38.5	174.3	-53.8	0	0	0	0	111.5	L87 V91 L94 L129 L135 F136 E137	L87-T133 HydrophobicContact CD1-CG2 3.65Å; V91-T133 HydrophobicContact CG2-CG2 3.8Å; L94-T133 HydrophobicContact CD1-CG2 4.35Å; L129-T133 PolarHBondContact O-N 2.94Å; L129-T133 PolarHBondContact O-OG1 3.36Å; L129-T133 VanDerWaalsContact O-OG1 3.1Å; T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 2.92Å; T133-F136 PolarHBondContact O-N 3.39Å; T133-E137 HydrophobicContact CG2-CG 4.06Å; T133-E137 VanDerWaalsContact O-CB 3.25Å; T133-E137 WeakPolarHBondContact O-CB 3.46Å; T133-E137 VanDerWaalsContact O-CG 3.25Å; T133-E137 WeakPolarHBondContact O-CG 3.48Å; T133-E137 PolarHBondContact O-N 3.37Å
134	A	91.6	Very high	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-35.6	175.8	0	0	0	0	0	113	F74 L87 W130 I131 K138 V139 L140	F74-A134 HydrophobicContact CE2-CB 4.18Å; L87-A134 HydrophobicContact CD1-CB 4.28Å; L87-A134 HydrophobicContact CD2-CB 3.59Å; W130-A134 WeakPolarHBondContact O-CB 3.32Å; W130-A134 PolarHBondContact O-N 3.49Å; I131-A134 WeakPolarHBondContact O-CB 3.38Å; I131-A134 PolarHBondContact O-N 3.34Å; A134-K138 PolarHBondContact O-N 3.36Å; A134-V139 HydrophobicContact CB-CG2 4.33Å; A134-V139 WeakPolarHBondContact O-CG2 3.5Å; A134-V139 PolarHBondContact O-N 2.71Å; A134-L140 HydrophobicContact CB-CB 3.79Å; A134-L140 HydrophobicContact CB-CD1 4.09Å; A134-L140 HydrophobicContact CB-CG 4.47Å; A134-L140 PolarHBondContact O-N 3.1Å
135	L	91.8	Very high	88.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-51.5	174.9	177.7	62.3	0	0	0	111.2	I42 F45 I131 R132 T133 E137 K138 L140 P177 Y182	I42-L135 HydrophobicContact CG2-CD2 4.27Å; F45-L135 HydrophobicContact CD1-CD2 3.94Å; F45-L135 HydrophobicContact CE1-CD1 3.97Å; F45-L135 HydrophobicContact CE1-CD2 3.82Å; F45-L135 HydrophobicContact CE1-CG 4.46Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 PolarHBondContact O-N 3.17Å; R132-L135 WeakPolarHBondContact O-CB 3.28Å; R132-L135 PolarHBondContact O-N 2.97Å; T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 2.92Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 3.24Å; L135-K138 WeakPolarHBondContact O-CA 3.37Å; L135-K138 PolarHBondContact O-N 3.07Å; L135-L140 HydrophobicContact CB-CD2 4.11Å; L135-L140 HydrophobicContact CD1-CD2 4.47Å; L135-P177 HydrophobicContact CD1-CB 3.9Å; L135-Y182 HydrophobicContact CD1-CE2 4.04Å; L135-Y182 HydrophobicContact CD2-CE2 4.18Å; L135-Y182 HydrophobicContact CG-CE2 3.76Å
136	F	88	Confident	89.8	Confident	45 Å²	45	32.2 Å²	32.2	20%	0.197	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-32.1	-178.2	-63	-8.3	0	0	0	113	E37 I42 R132 T133 K138 Y182	E37-F136 HydrophobicContact CB-CE2 3.81Å; E37-F136 HydrophobicContact CB-CZ 3.74Å; E37-F136 HydrophobicContact CG-CD2 4.16Å; E37-F136 HydrophobicContact CG-CE1 4.38Å; E37-F136 HydrophobicContact CG-CE2 3.49Å; E37-F136 VanDerWaalsContact CG-CE2 3.49Å; E37-F136 HydrophobicContact CG-CZ 3.63Å; E37-F136 WeakPolarHBondContact OE2-CE2 3.3Å; I42-F136 HydrophobicContact CD1-CE1 4.15Å; I42-F136 HydrophobicContact CD1-CZ 4.28Å; I42-F136 HydrophobicContact CG2-CE1 4.1Å; I42-F136 HydrophobicContact CG2-CZ 4.21Å; R132-F136 HydrophobicContact CG-CD2 4.22Å; R132-F136 HydrophobicContact CG-CE1 4.13Å; R132-F136 HydrophobicContact CG-CE2 3.65Å; R132-F136 HydrophobicContact CG-CZ 3.59Å; R132-F136 VanDerWaalsContact O-CG 3.32Å; R132-F136 WeakPolarHBondContact O-CG 3.38Å; R132-F136 PolarHBondContact O-N 2.96Å; R132-F136 VanDerWaalsContact O-N 3.07Å; T133-F136 PolarHBondContact O-N 3.39Å; F136-K138 PolarHBondContact O-N 3.32Å; F136-Y182 HydrophobicContact CD1-CD1 4.3Å; F136-Y182 AromaticContact CD1-CD2 3.53Å; F136-Y182 HydrophobicContact CD1-CD2 3.53Å; F136-Y182 HydrophobicContact CD1-CE2 4.12Å; F136-Y182 AromaticContact CD1-CG 3.63Å; F136-Y182 HydrophobicContact CD1-CG 3.63Å; F136-Y182 AromaticContact CE1-CD1 3.84Å; F136-Y182 HydrophobicContact CE1-CD1 3.84Å; F136-Y182 AromaticContact CE1-CD2 3.94Å; F136-Y182 HydrophobicContact CE1-CD2 3.94Å; F136-Y182 HydrophobicContact CE1-CE1 4.35Å; F136-Y182 HydrophobicContact CE1-CE2 4.44Å; F136-Y182 AromaticContact CE1-CG 3.6Å; F136-Y182 HydrophobicContact CE1-CG 3.6Å
137	E	89.1	Confident	90.5	Very high	83 Å²	83	29.7 Å²	29.7	39%	0.388	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0	172.4	-69.8	-73.3	159.2	0	0	113.3	K90 T133 L135 V139	K90-E137 HydrophobicContact CD-CG 4.34Å; K90-E137 VanDerWaalsContact CD-OE1 3.3Å; K90-E137 WeakPolarHBondContact CD-OE1 3.32Å; K90-E137 IonicContact NZ-OE1 2.74Å; K90-E137 PolarHBondContact NZ-OE1 2.93Å; K90-E137 IonicContact NZ-OE2 3.35Å; K90-E137 PolarHBondContact NZ-OE2 3.42Å; T133-E137 HydrophobicContact CG2-CG 4.06Å; T133-E137 VanDerWaalsContact O-CB 3.25Å; T133-E137 WeakPolarHBondContact O-CB 3.46Å; T133-E137 VanDerWaalsContact O-CG 3.25Å; T133-E137 WeakPolarHBondContact O-CG 3.48Å; T133-E137 PolarHBondContact O-N 3.37Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 3.24Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 HydrophobicContact CB-CG2 3.96Å; E137-V139 PolarHBondContact O-N 3.12Å
138	K	90.4	Very high	91.1	Very high	53 Å²	53	24.8 Å²	24.8	23%	0.23	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.4	-178.7	-50.3	-167.2	178.6	-162.1	0	112.6	A134 L135 F136 K142 C178 A179 L180	A134-K138 PolarHBondContact O-N 3.36Å; L135-K138 WeakPolarHBondContact O-CA 3.37Å; L135-K138 PolarHBondContact O-N 3.07Å; F136-K138 PolarHBondContact O-N 3.32Å; K138-K142 PolarHBondContact O-NZ 3.01Å; K138-C178 WeakPolarHBondContact CB-O 3.42Å; K138-C178 VanDerWaalsContact CD-O 3.3Å; K138-C178 WeakPolarHBondContact CD-O 3.45Å; K138-C178 VanDerWaalsContact CG-O 3.23Å; K138-C178 WeakPolarHBondContact CG-O 3.21Å; K138-A179 PolarHBondContact NZ-O 3.5Å; K138-L180 WeakPolarHBondContact CE-O 3.49Å; K138-L180 PolarHBondContact NZ-O 2.63Å
139	V	91.6	Very high	91.3	Very high	22 Å²	22	30.4 Å²	30.4	13%	0.133	14%	0.143	C	C	.	.			trans	-125.3	-9.4	178.6	-66.8	0	0	0	0	115	P83 L87 A134 E137 D141 K142 I143	P83-V139 HydrophobicContact CB-CG1 4.23Å; L87-V139 HydrophobicContact CD2-CG2 4.34Å; A134-V139 HydrophobicContact CB-CG2 4.33Å; A134-V139 WeakPolarHBondContact O-CG2 3.5Å; A134-V139 PolarHBondContact O-N 2.71Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 HydrophobicContact CB-CG2 3.96Å; E137-V139 PolarHBondContact O-N 3.12Å; V139-D141 VanDerWaalsContact C-N 3.3Å; V139-D141 PolarHBondContact O-N 2.9Å; V139-K142 PolarHBondContact O-N 3.31Å; V139-K142 VanDerWaalsContact O-N 3.17Å; V139-I143 HydrophobicContact CB-CD1 4.26Å; V139-I143 HydrophobicContact CG2-CD1 3.93Å; V139-I143 WeakPolarHBondContact O-CG1 3.25Å; V139-I143 PolarHBondContact O-N 3.08Å
140	L	92.9	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-39.9	-179	177.8	61.6	0	0	0	112.6	F45 V49 I131 A134 L135 I143 V144 L174	F45-L140 HydrophobicContact CE1-CD2 4.29Å; V49-L140 HydrophobicContact CG1-CD1 4.27Å; V49-L140 HydrophobicContact CG1-CD2 4.33Å; I131-L140 HydrophobicContact CD1-CD1 4.2Å; I131-L140 HydrophobicContact CG2-CD1 4.14Å; I131-L140 HydrophobicContact CG2-CD2 3.79Å; A134-L140 HydrophobicContact CB-CB 3.79Å; A134-L140 HydrophobicContact CB-CD1 4.09Å; A134-L140 HydrophobicContact CB-CG 4.47Å; A134-L140 PolarHBondContact O-N 3.1Å; L135-L140 HydrophobicContact CB-CD2 4.11Å; L135-L140 HydrophobicContact CD1-CD2 4.47Å; L140-I143 PolarHBondContact O-N 2.93Å; L140-V144 HydrophobicContact CD1-CG2 4.17Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 2.92Å; L140-L174 HydrophobicContact CG-CD1 4.47Å
141	D	90.4	Very high	91.4	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.139	16%	0.156	C	C	.	.	H	α-helix	trans	-53.4	-52.7	171.9	64.4	-35.6	0	0	0	111.9	V139 V144 H145 L174 V175 C178	V139-D141 VanDerWaalsContact C-N 3.3Å; V139-D141 PolarHBondContact O-N 2.9Å; D141-V144 PolarHBondContact O-N 3.3Å; D141-H145 WeakPolarHBondContact O-CB 3.32Å; D141-H145 PolarHBondContact O-N 3.35Å; D141-L174 HydrophobicContact CB-CB 4.4Å; D141-V175 HydrophobicContact CB-CG2 4.42Å; D141-C178 HydrophobicContact CB-CB 4.05Å; D141-C178 PolarHBondContact N-SG 3.24Å
142	K	91.3	Very high	91.3	Very high	97 Å²	97	36.3 Å²	36.3	42%	0.422	18%	0.182	S	C	.	.	H	α-helix	trans	-69.4	-36.5	-176.6	-64.9	142.4	-162.9	153.3	0	112.1	F81 K138 V139 Y146	F81-K142 HydrophobicContact CE1-CB 4.49Å; F81-K142 HydrophobicContact CZ-CB 4.07Å; K138-K142 PolarHBondContact O-NZ 3.01Å; V139-K142 PolarHBondContact O-N 3.31Å; V139-K142 VanDerWaalsContact O-N 3.17Å; K142-Y146 WeakPolarHBondContact O-CB 3.49Å; K142-Y146 PolarHBondContact O-N 3.03Å
143	I	92.6	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-41.9	176.9	-67.8	169.8	0	0	0	110.4	F74 F81 A84 L87 V139 L140 L147	F74-I143 HydrophobicContact CD1-CG2 4.16Å; F74-I143 HydrophobicContact CE1-CG2 3.72Å; F74-I143 HydrophobicContact CE2-CD1 4.4Å; F74-I143 HydrophobicContact CE2-CG2 4.34Å; F74-I143 HydrophobicContact CZ-CG2 3.82Å; F81-I143 HydrophobicContact CD1-CG1 4.34Å; F81-I143 HydrophobicContact CE1-CG1 3.91Å; A84-I143 HydrophobicContact CB-CD1 4.14Å; A84-I143 HydrophobicContact CB-CG1 4.23Å; L87-I143 HydrophobicContact CD2-CD1 3.48Å; L87-I143 VanDerWaalsContact CD2-CD1 3.48Å; V139-I143 HydrophobicContact CB-CD1 4.26Å; V139-I143 HydrophobicContact CG2-CD1 3.93Å; V139-I143 WeakPolarHBondContact O-CG1 3.25Å; V139-I143 PolarHBondContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 2.93Å; I143-L147 HydrophobicContact CG2-CD1 4.2Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 2.99Å
144	V	93.8	Very high	91.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-38.9	176.4	174.1	0	0	0	0	111.4	V53 L140 D141 Y146 L147 V148 L161 L170 A171 L174	V53-V144 HydrophobicContact CG2-CG2 3.97Å; L140-V144 HydrophobicContact CD1-CG2 4.17Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 2.92Å; D141-V144 PolarHBondContact O-N 3.3Å; V144-Y146 PolarHBondContact O-N 3.16Å; V144-L147 WeakPolarHBondContact O-CB 3.25Å; V144-L147 PolarHBondContact O-N 3.13Å; V144-L147 VanDerWaalsContact O-N 3.14Å; V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 3.09Å; V144-L161 HydrophobicContact CG1-CD2 4.48Å; V144-L170 HydrophobicContact CG1-CD2 4.13Å; V144-L170 HydrophobicContact CG1-CG 4.47Å; V144-A171 HydrophobicContact CG1-CB 4.3Å; V144-L174 HydrophobicContact CB-CD1 3.65Å; V144-L174 HydrophobicContact CG1-CD1 3.77Å; V144-L174 HydrophobicContact CG2-CD1 3.58Å
145	H	91.6	Very high	91.1	Very high	98 Å²	98	39.4 Å²	39.4	45%	0.454	20%	0.195	S	C	.	.	H	α-helix	trans	-56.9	-50.5	172.4	-166.1	-78	0	0	0	111.8	D141 L147 V148 E149 A171	D141-H145 WeakPolarHBondContact O-CB 3.32Å; D141-H145 PolarHBondContact O-N 3.35Å; H145-L147 VanDerWaalsContact C-N 3.27Å; H145-L147 PolarHBondContact O-N 2.84Å; H145-V148 WeakPolarHBondContact O-CB 3.49Å; H145-V148 PolarHBondContact O-N 2.99Å; H145-E149 VanDerWaalsContact CE1-CD 3.41Å; H145-E149 IonicContact CE1-OE1 2.59Å; H145-E149 PolarHBondContact CE1-OE1 3.35Å; H145-E149 VanDerWaalsContact CE1-OE1 3.25Å; H145-E149 IonicContact CE1-OE2 3.89Å; H145-E149 IonicContact ND1-OE1 3.21Å; H145-E149 PolarHBondContact ND1-OE1 3.23Å; H145-E149 IonicContact ND1-OE2 2.79Å; H145-E149 PolarHBondContact ND1-OE2 3.12Å; H145-E149 VanDerWaalsContact ND1-OE2 3.08Å; H145-E149 WeakPolarHBondContact O-CG 3.31Å; H145-E149 PolarHBondContact O-N 3.25Å; H145-A171 HydrophobicContact CB-CB 4.42Å
146	Y	93.6	Very high	91.1	Very high	24 Å²	24	44.1 Å²	44.1	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-36.7	175.5	176.5	-86.1	0	0	0	112.5	V77 N80 F81 K142 V144 E149 N150 Y154	V77-Y146 HydrophobicContact CB-CE1 4.46Å; V77-Y146 HydrophobicContact CG1-CD1 3.61Å; V77-Y146 HydrophobicContact CG1-CE1 3.68Å; V77-Y146 HydrophobicContact CG2-CD1 4.48Å; V77-Y146 HydrophobicContact CG2-CE1 4.32Å; N80-Y146 WeakPolarHBondContact CB-OH 3.46Å; F81-Y146 HydrophobicContact CB-CD1 4.45Å; F81-Y146 HydrophobicContact CB-CD2 4.21Å; F81-Y146 HydrophobicContact CB-CE1 4.38Å; F81-Y146 HydrophobicContact CB-CE2 4.11Å; F81-Y146 HydrophobicContact CB-CG 4.38Å; F81-Y146 AromaticContact CD2-CD2 3.77Å; F81-Y146 HydrophobicContact CD2-CD2 3.77Å; F81-Y146 HydrophobicContact CD2-CE2 4.28Å; F81-Y146 HydrophobicContact CD2-CG 4.17Å; F81-Y146 HydrophobicContact CE2-CD2 4.37Å; F81-Y146 HydrophobicContact CG-CD2 4.04Å; F81-Y146 HydrophobicContact CG-CE2 4.42Å; F81-Y146 HydrophobicContact CG-CG 4.1Å; K142-Y146 WeakPolarHBondContact O-CB 3.49Å; K142-Y146 PolarHBondContact O-N 3.03Å; V144-Y146 PolarHBondContact O-N 3.16Å; Y146-E149 WeakPolarHBondContact CA-OE2 3.32Å; Y146-N150 WeakPolarHBondContact CD2-ND2 3.3Å; Y146-N150 HydrophobicContact CE1-CB 4.21Å; Y146-N150 VanDerWaalsContact CE2-ND2 3.28Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.23Å; Y146-N150 VanDerWaalsContact O-CB 3.29Å; Y146-N150 WeakPolarHBondContact O-CB 3.5Å; Y146-N150 PolarHBondContact O-N 3.01Å; Y146-N150 PolarHBondContact O-ND2 3.29Å; Y146-Y154 HydrophobicContact CE1-CE2 4.37Å
147	L	92.9	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-27.9	175.9	-75.2	169.7	0	0	0	113.5	V53 L73 F74 V77 I143 V144 H145 S151 Y154 Y155 L161	V53-L147 HydrophobicContact CG1-CD1 4.21Å; L73-L147 HydrophobicContact CD1-CD2 3.97Å; L73-L147 HydrophobicContact CD2-CD1 4.13Å; L73-L147 HydrophobicContact CD2-CD2 4.27Å; L73-L147 HydrophobicContact CG-CD2 4.29Å; F74-L147 HydrophobicContact CE1-CD1 4.42Å; V77-L147 HydrophobicContact CG2-CD2 3.61Å; V77-L147 HydrophobicContact CG2-CG 4.36Å; I143-L147 HydrophobicContact CG2-CD1 4.2Å; I143-L147 VanDerWaalsContact O-CG 3.27Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 2.99Å; V144-L147 WeakPolarHBondContact O-CB 3.25Å; V144-L147 PolarHBondContact O-N 3.13Å; V144-L147 VanDerWaalsContact O-N 3.14Å; H145-L147 VanDerWaalsContact C-N 3.27Å; H145-L147 PolarHBondContact O-N 2.84Å; L147-S151 WeakPolarHBondContact O-CA 3.42Å; L147-S151 WeakPolarHBondContact O-CB 2.98Å; L147-S151 PolarHBondContact O-N 3.01Å; L147-Y154 HydrophobicContact CD2-CD2 4.23Å; L147-Y154 HydrophobicContact CD2-CG 4.38Å; L147-Y155 HydrophobicContact CB-CE2 4.41Å; L147-Y155 HydrophobicContact CD2-CE2 4.19Å; L147-L161 HydrophobicContact CB-CD1 3.8Å
148	V	91.7	Very high	90.8	Very high	24 Å²	24	51 Å²	51	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-74.6	-49.4	172.1	173	0	0	0	0	110.1	V144 H145 N150 S151 L161 P168	V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 3.09Å; H145-V148 WeakPolarHBondContact O-CB 3.49Å; H145-V148 PolarHBondContact O-N 2.99Å; V148-N150 PolarHBondContact O-N 3.38Å; V148-S151 WeakPolarHBondContact O-CB 3.47Å; V148-S151 PolarHBondContact O-N 3.28Å; V148-S151 VanDerWaalsContact O-N 3.14Å; V148-S151 PolarHBondContact O-OG 3.09Å; V148-L161 HydrophobicContact CG2-CB 4.16Å; V148-L161 HydrophobicContact CG2-CD2 4.06Å; V148-L161 HydrophobicContact CG2-CG 4.5Å; V148-P168 HydrophobicContact CG1-CG 4.07Å
149	E	91.1	Very high	90.7	Very high	126 Å²	126	48.5 Å²	48.5	59%	0.589	24%	0.236	S	C	*	.	H	α-helix	trans	-57.6	-36.5	176.5	-68.7	171.4	129.9	0	0	112.7	H145 Y146	H145-E149 VanDerWaalsContact CE1-CD 3.41Å; H145-E149 IonicContact CE1-OE1 2.59Å; H145-E149 PolarHBondContact CE1-OE1 3.35Å; H145-E149 VanDerWaalsContact CE1-OE1 3.25Å; H145-E149 IonicContact CE1-OE2 3.89Å; H145-E149 IonicContact ND1-OE1 3.21Å; H145-E149 PolarHBondContact ND1-OE1 3.23Å; H145-E149 IonicContact ND1-OE2 2.79Å; H145-E149 PolarHBondContact ND1-OE2 3.12Å; H145-E149 VanDerWaalsContact ND1-OE2 3.08Å; H145-E149 WeakPolarHBondContact O-CG 3.31Å; H145-E149 PolarHBondContact O-N 3.25Å; Y146-E149 WeakPolarHBondContact CA-OE2 3.32Å
150	N	91.9	Very high	90.7	Very high	46 Å²	46	47.5 Å²	47.5	25%	0.246	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	15.4	-178.8	-66.8	-104.1	0	0	0	112.8	Y146 V148 S152 K153 Y154	Y146-N150 WeakPolarHBondContact CD2-ND2 3.3Å; Y146-N150 HydrophobicContact CE1-CB 4.21Å; Y146-N150 VanDerWaalsContact CE2-ND2 3.28Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.23Å; Y146-N150 VanDerWaalsContact O-CB 3.29Å; Y146-N150 WeakPolarHBondContact O-CB 3.5Å; Y146-N150 PolarHBondContact O-N 3.01Å; Y146-N150 PolarHBondContact O-ND2 3.29Å; V148-N150 PolarHBondContact O-N 3.38Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 3.3Å; N150-S152 VanDerWaalsContact O-N 3.15Å; N150-K153 VanDerWaalsContact O-CB 3.24Å; N150-K153 WeakPolarHBondContact O-CB 3.38Å; N150-K153 PolarHBondContact O-N 2.87Å; N150-Y154 HydrophobicContact CB-CD2 4.27Å; N150-Y154 HydrophobicContact CB-CE2 3.89Å; N150-Y154 WeakPolarHBondContact O-CD2 3.32Å
151	S	90.2	Very high	90.5	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-50.6	-44.5	-169.5	52.6	0	0	0	0	113.7	L147 V148 K153 Y154 Y155 L161 M162	L147-S151 WeakPolarHBondContact O-CA 3.42Å; L147-S151 WeakPolarHBondContact O-CB 2.98Å; L147-S151 PolarHBondContact O-N 3.01Å; V148-S151 WeakPolarHBondContact O-CB 3.47Å; V148-S151 PolarHBondContact O-N 3.28Å; V148-S151 VanDerWaalsContact O-N 3.14Å; V148-S151 PolarHBondContact O-OG 3.09Å; S151-K153 PolarHBondContact O-N 3.23Å; S151-Y154 PolarHBondContact O-N 2.88Å; S151-Y155 PolarHBondContact O-N 3.2Å; S151-L161 WeakPolarHBondContact CB-O 3.22Å; S151-L161 PolarHBondContact OG-O 3.17Å; S151-M162 VanDerWaalsContact CB-SD 3.6Å; S151-M162 PolarHBondContact OG-SD 3.24Å
152	S	89.4	Confident	90.5	Very high	79 Å²	79	48.8 Å²	48.8	55%	0.552	24%	0.236	S	C	*	.	H	α-helix	trans	-57.2	-17.6	179.2	68.8	0	0	0	0	115.2	R58 N150 M162	R58-S152 PolarHBondContact NH1-O 3.1Å; R58-S152 PolarHBondContact NH2-O 3.44Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 3.3Å; N150-S152 VanDerWaalsContact O-N 3.15Å; S152-M162 VanDerWaalsContact CA-SD 3.58Å; S152-M162 PolarHBondContact N-SD 2.92Å; S152-M162 VanDerWaalsContact N-SD 3.37Å
153	K	88.4	Confident	90.3	Very high	88 Å²	88	45.5 Å²	45.5	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-85.4	-29.8	175.8	-173.4	177	172	-168.1	0	112.4	R58 N80 N150 S151	R58-K153 PolarHBondContact NH1-O 3.22Å; N80-K153 PolarHBondContact OD1-NZ 3.05Å; N80-K153 VanDerWaalsContact OD1-NZ 3.11Å; N150-K153 VanDerWaalsContact O-CB 3.24Å; N150-K153 WeakPolarHBondContact O-CB 3.38Å; N150-K153 PolarHBondContact O-N 2.87Å; S151-K153 PolarHBondContact O-N 3.23Å
154	Y	88.8	Confident	89.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-113.8	-26.7	-170	-57.8	-85.3	0	0	0	114.3	R58 A61 L73 K76 V77 Y146 L147 N150 S151	R58-Y154 VanDerWaalsContact CB-O 3.25Å; R58-Y154 WeakPolarHBondContact CB-O 3.47Å; R58-Y154 VanDerWaalsContact CG-O 3.3Å; R58-Y154 WeakPolarHBondContact CG-O 3.46Å; R58-Y154 PolarHBondContact N-O 3.43Å; A61-Y154 HydrophobicContact CB-CD1 4.17Å; L73-Y154 HydrophobicContact CD1-CD1 3.66Å; L73-Y154 HydrophobicContact CD1-CE1 4.27Å; L73-Y154 HydrophobicContact CD1-CG 4.2Å; K76-Y154 HydrophobicContact CD-CD1 4.5Å; K76-Y154 HydrophobicContact CD-CE1 4.16Å; K76-Y154 HydrophobicContact CG-CE1 4.17Å; V77-Y154 HydrophobicContact CG2-CE1 4.22Å; Y146-Y154 HydrophobicContact CE1-CE2 4.37Å; L147-Y154 HydrophobicContact CD2-CD2 4.23Å; L147-Y154 HydrophobicContact CD2-CG 4.38Å; N150-Y154 HydrophobicContact CB-CD2 4.27Å; N150-Y154 HydrophobicContact CB-CE2 3.89Å; N150-Y154 WeakPolarHBondContact O-CD2 3.32Å; S151-Y154 PolarHBondContact O-N 2.88Å
155	Y	92.7	Very high	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-119.7	150.9	-166.3	-68.7	-83.4	0	0	0	115.3	V53 H55 G56 L57 R58 L73 L147 S151 A159 L161	V53-Y155 WeakPolarHBondContact O-CE1 3.21Å; V53-Y155 PolarHBondContact O-OH 3.29Å; H55-Y155 WeakPolarHBondContact O-CD1 3.05Å; G56-Y155 WeakPolarHBondContact O-CA 3.47Å; L57-Y155 HydrophobicContact CB-CD1 4.24Å; L57-Y155 HydrophobicContact CB-CE1 3.92Å; L57-Y155 HydrophobicContact CD1-CD1 4.19Å; L57-Y155 HydrophobicContact CD1-CE1 3.69Å; L57-Y155 HydrophobicContact CD1-CE2 4.47Å; L57-Y155 HydrophobicContact CG-CE1 4.42Å; R58-Y155 PolarHBondContact NE-O 3.42Å; R58-Y155 PolarHBondContact NH2-O 3.42Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.24Å; L147-Y155 HydrophobicContact CB-CE2 4.41Å; L147-Y155 HydrophobicContact CD2-CE2 4.19Å; S151-Y155 PolarHBondContact O-N 3.2Å; Y155-A159 HydrophobicContact CD1-CB 3.81Å; Y155-A159 HydrophobicContact CG-CB 4.03Å; Y155-L161 HydrophobicContact CD2-CB 4.3Å; Y155-L161 HydrophobicContact CE1-CD1 4.37Å; Y155-L161 HydrophobicContact CE2-CB 4.22Å; Y155-L161 HydrophobicContact CE2-CD1 3.77Å; Y155-L161 HydrophobicContact CE2-CG 4.4Å; Y155-L161 WeakPolarHBondContact OH-CD1 3.19Å
156	E	90.2	Very high	88.8	Confident	100 Å²	100	50.8 Å²	50.8	47%	0.467	26%	0.263	S	S	.	.			trans	-77.3	153.8	172.5	-60.7	177.6	-174.9	0	0	109.3	G56 R58 E158 A159 M162	G56-E156 PolarHBondContact O-N 3Å; R58-E156 HydrophobicContact CB-CG 4.45Å; R58-E156 HydrophobicContact CG-CG 3.51Å; E156-E158 PolarHBondContact O-N 2.95Å; E156-E158 VanDerWaalsContact O-N 3.12Å; E156-A159 WeakPolarHBondContact O-CB 3.38Å; E156-A159 PolarHBondContact O-N 3.37Å; E156-M162 VanDerWaalsContact O-CG 3.31Å; E156-M162 WeakPolarHBondContact O-CG 2.78Å
157	K	85.3	Confident	88.4	Confident	169 Å²	169	49.6 Å²	49.6	74%	0.735	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.5	-165.3	-81.3	-170.9	175.6	-170.2	0	113.8	A159 M162	K157-A159 PolarHBondContact O-N 3.11Å; K157-M162 VanDerWaalsContact O-CB 3.31Å; K157-M162 WeakPolarHBondContact O-CB 3.37Å
158	E	85.3	Confident	87.9	Confident	104 Å²	104	52.1 Å²	52.1	49%	0.486	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	9.3	-177.4	-34.7	-41.1	132	0	0	113.3	H55 E156	H55-E158 PolarHBondContact CE1-O 3.39Å; E156-E158 PolarHBondContact O-N 2.95Å; E156-E158 VanDerWaalsContact O-N 3.12Å
159	A	89.6	Confident	87.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-65.7	155	176.4	0	0	0	0	0	112.4	H55 Y155 E156 K157 M162	H55-A159 VanDerWaalsContact O-CB 3.29Å; H55-A159 WeakPolarHBondContact O-CB 3.45Å; Y155-A159 HydrophobicContact CD1-CB 3.81Å; Y155-A159 HydrophobicContact CG-CB 4.03Å; E156-A159 WeakPolarHBondContact O-CB 3.38Å; E156-A159 PolarHBondContact O-N 3.37Å; K157-A159 PolarHBondContact O-N 3.11Å; A159-M162 HydrophobicContact CB-CB 4.15Å; A159-M162 HydrophobicContact CB-CG 4.02Å; A159-M162 PolarHBondContact O-N 2.74Å
160	L	90.4	Very high	87.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-67.4	-40.5	178.8	-168.1	157.8	0	0	0	110.7	R11 L14 C52 H55 M162 D163 D166 G167 L170	R11-L160 HydrophobicContact CG-CB 4.49Å; L14-L160 HydrophobicContact CB-CD1 3.82Å; L14-L160 HydrophobicContact CD1-CD1 4.2Å; C52-L160 HydrophobicContact CB-CD1 4.44Å; H55-L160 HydrophobicContact CB-CB 4.32Å; H55-L160 PolarHBondContact ND1-N 3.14Å; L160-M162 PolarHBondContact O-N 3.41Å; L160-D163 PolarHBondContact O-N 3.32Å; L160-D166 HydrophobicContact CD2-CB 4.32Å; L160-D166 HydrophobicContact CG-CB 4.29Å; L160-G167 WeakPolarHBondContact O-CA 3.39Å; L160-G167 PolarHBondContact O-N 2.94Å; L160-L170 HydrophobicContact CD2-CB 4.12Å; L160-L170 HydrophobicContact CD2-CD2 4.09Å
161	L	89.9	Confident	86.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-76.5	-6.1	178.3	-49.9	-166.6	0	0	0	114.4	V144 L147 V148 S151 Y155 L170	V144-L161 HydrophobicContact CG1-CD2 4.48Å; L147-L161 HydrophobicContact CB-CD1 3.8Å; V148-L161 HydrophobicContact CG2-CB 4.16Å; V148-L161 HydrophobicContact CG2-CD2 4.06Å; V148-L161 HydrophobicContact CG2-CG 4.5Å; S151-L161 WeakPolarHBondContact CB-O 3.22Å; S151-L161 PolarHBondContact OG-O 3.17Å; Y155-L161 HydrophobicContact CD2-CB 4.3Å; Y155-L161 HydrophobicContact CE1-CD1 4.37Å; Y155-L161 HydrophobicContact CE2-CB 4.22Å; Y155-L161 HydrophobicContact CE2-CD1 3.77Å; Y155-L161 HydrophobicContact CE2-CG 4.4Å; Y155-L161 WeakPolarHBondContact OH-CD1 3.19Å; L161-L170 HydrophobicContact CD2-CD2 3.6Å
162	M	89.5	Confident	86.1	Confident	53 Å²	53	49 Å²	49	26%	0.261	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-87.9	-17.5	171.5	-82.7	-64.8	-42.2	0	0	112.6	S151 S152 E156 K157 A159 L160	S151-M162 VanDerWaalsContact CB-SD 3.6Å; S151-M162 PolarHBondContact OG-SD 3.24Å; S152-M162 VanDerWaalsContact CA-SD 3.58Å; S152-M162 PolarHBondContact N-SD 2.92Å; S152-M162 VanDerWaalsContact N-SD 3.37Å; E156-M162 VanDerWaalsContact O-CG 3.31Å; E156-M162 WeakPolarHBondContact O-CG 2.78Å; K157-M162 VanDerWaalsContact O-CB 3.31Å; K157-M162 WeakPolarHBondContact O-CB 3.37Å; A159-M162 HydrophobicContact CB-CB 4.15Å; A159-M162 HydrophobicContact CB-CG 4.02Å; A159-M162 PolarHBondContact O-N 2.74Å; L160-M162 PolarHBondContact O-N 3.41Å
163	D	88.6	Confident	85.8	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.15	25%	0.25	C	S	.	.	S	Bend	trans	-74.5	132.8	-178.4	-168.7	-85.5	0	0	0	110.7	R11 L160 V165 D166 G167 P168	R11-D163 IonicContact CZ-OD2 2.78Å; R11-D163 VanDerWaalsContact CZ-OD2 3.28Å; R11-D163 IonicContact NH1-OD2 3.13Å; R11-D163 PolarHBondContact NH1-OD2 2.84Å; R11-D163 IonicContact NH2-OD2 3.61Å; R11-D163 PolarHBondContact NH2-OD2 3.33Å; R11-D163 VanDerWaalsContact NH2-OD2 3.15Å; L160-D163 PolarHBondContact O-N 3.32Å; D163-V165 PolarHBondContact O-N 3.21Å; D163-V165 VanDerWaalsContact O-N 3.15Å; D163-V165 WeakPolarHBondContact OD1-CA 3.47Å; D163-V165 WeakPolarHBondContact OD1-CB 3.39Å; D163-V165 PolarHBondContact OD1-N 3.46Å; D163-D166 HydrophobicContact CB-CB 4.03Å; D163-D166 PolarHBondContact OD1-N 3.3Å; D163-G167 PolarHBondContact O-N 2.96Å; D163-P168 WeakPolarHBondContact O-CD 3.21Å
164	P	79.8	Confident	85.8	Confident	112 Å²	112	42.9 Å²	42.9	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.9	-177.8	29	-35.8	0	0	0	114.1
165	V	81.3	Confident	85.6	Confident	88 Å²	88	45.6 Å²	45.6	53%	0.533	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-56.5	-179.2	-179	0	0	0	0	111	D163 G167 P168 I169	D163-V165 PolarHBondContact O-N 3.21Å; D163-V165 VanDerWaalsContact O-N 3.15Å; D163-V165 WeakPolarHBondContact OD1-CA 3.47Å; D163-V165 WeakPolarHBondContact OD1-CB 3.39Å; D163-V165 PolarHBondContact OD1-N 3.46Å; V165-G167 VanDerWaalsContact C-N 3.32Å; V165-G167 PolarHBondContact O-N 3.46Å; V165-P168 WeakPolarHBondContact O-CD 3.01Å; V165-I169 HydrophobicContact CG1-CD1 3.65Å; V165-I169 WeakPolarHBondContact O-CD1 3.31Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.09Å; V165-I169 PolarHBondContact O-N 3.47Å; V165-I169 VanDerWaalsContact O-N 3.11Å
166	D	84.1	Confident	85	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-34.5	-176.4	-79.6	-22.9	0	0	0	112.5	Q12 L15 L160 D163 L170	Q12-D166 VanDerWaalsContact NE2-CG 3.31Å; Q12-D166 PolarHBondContact NE2-OD1 2.95Å; Q12-D166 PolarHBondContact NE2-OD2 3.47Å; L15-D166 WeakPolarHBondContact CD2-OD1 3.35Å; L160-D166 HydrophobicContact CD2-CB 4.32Å; L160-D166 HydrophobicContact CG-CB 4.29Å; D163-D166 HydrophobicContact CB-CB 4.03Å; D163-D166 PolarHBondContact OD1-N 3.3Å; D166-L170 PolarHBondContact O-N 3.22Å
167	G	84.7	Confident	84.8	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-57.9	177.4	0	0	0	0	0	113.1	L160 D163 V165 I169 L170 A171	L160-G167 WeakPolarHBondContact O-CA 3.39Å; L160-G167 PolarHBondContact O-N 2.94Å; D163-G167 PolarHBondContact O-N 2.96Å; V165-G167 VanDerWaalsContact C-N 3.32Å; V165-G167 PolarHBondContact O-N 3.46Å; G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 2.93Å; G167-A171 PolarHBondContact O-N 3.26Å; G167-A171 VanDerWaalsContact O-N 3.13Å
168	P	83.6	Confident	84.8	Confident	53 Å²	53	34.3 Å²	34.3	34%	0.344	21%	0.206	S	C	.	.	H	α-helix	trans	-57.4	-38.1	174	-29.2	37.4	0	0	0	114.1	V148 D163 V165 L170 A171 S172	V148-P168 HydrophobicContact CG1-CG 4.07Å; D163-P168 WeakPolarHBondContact O-CD 3.21Å; V165-P168 WeakPolarHBondContact O-CD 3.01Å; P168-L170 PolarHBondContact O-N 2.97Å; P168-A171 PolarHBondContact O-N 3.48Å; P168-S172 PolarHBondContact O-N 3Å; P168-S172 PolarHBondContact O-OG 2.8Å
169	I	78.4	Confident	84.6	Confident	58 Å²	58	30.7 Å²	30.7	30%	0.297	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-43	176	-68	168.1	0	0	0	110.6	L15 V165 G167 A171 S172 L173	L15-I169 HydrophobicContact CD1-CG2 4.18Å; L15-I169 HydrophobicContact CD2-CG2 4.06Å; V165-I169 HydrophobicContact CG1-CD1 3.65Å; V165-I169 WeakPolarHBondContact O-CD1 3.31Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.09Å; V165-I169 PolarHBondContact O-N 3.47Å; V165-I169 VanDerWaalsContact O-N 3.11Å; G167-I169 VanDerWaalsContact C-N 3.32Å; G167-I169 PolarHBondContact O-N 3.33Å; I169-A171 PolarHBondContact O-N 2.88Å; I169-S172 PolarHBondContact O-N 3.38Å; I169-L173 HydrophobicContact CG2-CD1 3.94Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.42Å
170	L	86.3	Confident	84.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-47.1	174.7	-176.2	74.3	0	0	0	111.6	L15 V18 C52 V144 L160 L161 D166 G167 P168 S172 L173 L174	L15-L170 HydrophobicContact CD1-CB 4.25Å; L15-L170 HydrophobicContact CD1-CD1 4.48Å; V18-L170 HydrophobicContact CB-CD1 4.06Å; V18-L170 HydrophobicContact CG1-CD1 3.79Å; V18-L170 HydrophobicContact CG2-CD1 3.95Å; C52-L170 HydrophobicContact CB-CD1 4.24Å; C52-L170 HydrophobicContact CB-CD2 3.63Å; V144-L170 HydrophobicContact CG1-CD2 4.13Å; V144-L170 HydrophobicContact CG1-CG 4.47Å; L160-L170 HydrophobicContact CD2-CB 4.12Å; L160-L170 HydrophobicContact CD2-CD2 4.09Å; L161-L170 HydrophobicContact CD2-CD2 3.6Å; D166-L170 PolarHBondContact O-N 3.22Å; G167-L170 PolarHBondContact O-N 2.93Å; P168-L170 PolarHBondContact O-N 2.97Å; L170-S172 PolarHBondContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 3.34Å; L170-L174 WeakPolarHBondContact O-CG 3.32Å; L170-L174 PolarHBondContact O-N 2.9Å
171	A	82.8	Confident	83.5	Confident	6 Å²	6	39.5 Å²	39.5	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-39.9	178.6	0	0	0	0	0	111.8	V144 H145 G167 P168 I169 L174	V144-A171 HydrophobicContact CG1-CB 4.3Å; H145-A171 HydrophobicContact CB-CB 4.42Å; G167-A171 PolarHBondContact O-N 3.26Å; G167-A171 VanDerWaalsContact O-N 3.13Å; P168-A171 PolarHBondContact O-N 3.48Å; I169-A171 PolarHBondContact O-N 2.88Å; A171-L174 PolarHBondContact O-N 2.8Å
172	S	79.8	Confident	83.2	Confident	81 Å²	81	40.8 Å²	40.8	57%	0.566	24%	0.241	S	C	*	.	H	α-helix	trans	-67.4	-41.3	178.5	-54.8	0	0	0	0	112.6	P168 I169 L170 L174 V175	P168-S172 PolarHBondContact O-N 3Å; P168-S172 PolarHBondContact O-OG 2.8Å; I169-S172 PolarHBondContact O-N 3.38Å; L170-S172 PolarHBondContact O-N 3.17Å; S172-L174 PolarHBondContact O-N 2.82Å; S172-V175 WeakPolarHBondContact O-CB 3.34Å; S172-V175 WeakPolarHBondContact O-CG2 3.3Å; S172-V175 PolarHBondContact O-N 3.24Å
173	L	82.8	Confident	82.4	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-27.6	177.9	-76.2	168.4	0	0	0	113.4	L15 K19 V22 I169 L170 P177	L15-L173 HydrophobicContact CD1-CD1 4.17Å; K19-L173 HydrophobicContact CG-CD1 3.66Å; K19-L173 HydrophobicContact CG-CD2 4.14Å; V22-L173 HydrophobicContact CG2-CB 4.44Å; I169-L173 HydrophobicContact CG2-CD1 3.94Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 3.34Å; L173-P177 VanDerWaalsContact O-CD 3.32Å; L173-P177 WeakPolarHBondContact O-CD 3.29Å
174	L	87.8	Confident	81.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.6	-179.2	-62.7	172.2	0	0	0	113.7	F45 V49 L140 D141 V144 L170 A171 S172 G176 P177 C178	F45-L174 HydrophobicContact CE2-CD2 3.92Å; F45-L174 HydrophobicContact CZ-CD2 3.53Å; V49-L174 HydrophobicContact CG1-CD1 4.35Å; V49-L174 HydrophobicContact CG1-CD2 4.11Å; V49-L174 HydrophobicContact CG2-CD2 3.54Å; L140-L174 HydrophobicContact CG-CD1 4.47Å; D141-L174 HydrophobicContact CB-CB 4.4Å; V144-L174 HydrophobicContact CB-CD1 3.65Å; V144-L174 HydrophobicContact CG1-CD1 3.77Å; V144-L174 HydrophobicContact CG2-CD1 3.58Å; L170-L174 WeakPolarHBondContact O-CG 3.32Å; L170-L174 PolarHBondContact O-N 2.9Å; A171-L174 PolarHBondContact O-N 2.8Å; S172-L174 PolarHBondContact O-N 2.82Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.48Å; L174-P177 WeakPolarHBondContact O-CD 3.33Å; L174-C178 WeakPolarHBondContact O-CB 3.47Å; L174-C178 PolarHBondContact O-N 2.8Å; L174-C178 PolarHBondContact O-SG 3.4Å
175	V	84.7	Confident	79.7	Confident	56 Å²	56	48.1 Å²	48.1	34%	0.339	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-36.3	-178.2	-179.7	0	0	0	0	111.7	D141 S172 A179	D141-V175 HydrophobicContact CB-CG2 4.42Å; S172-V175 WeakPolarHBondContact O-CB 3.34Å; S172-V175 WeakPolarHBondContact O-CG2 3.3Å; S172-V175 PolarHBondContact O-N 3.24Å; V175-A179 PolarHBondContact O-N 2.86Å; V175-A179 VanDerWaalsContact O-N 3.12Å
176	G	79.6	Confident	77.9	Confident	26 Å²	26	50.7 Å²	50.7	27%	0.268	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-63.4	176.6	0	0	0	0	0	112.5	L174 C178 A179	L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.48Å; G176-C178 VanDerWaalsContact C-N 3.28Å; G176-C178 PolarHBondContact O-N 3.29Å; G176-A179 VanDerWaalsContact O-CB 3.29Å; G176-A179 WeakPolarHBondContact O-CB 3.48Å; G176-A179 PolarHBondContact O-N 3.43Å
177	P	86.1	Confident	75.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56	-38.1	175.8	-28.4	36.3	0	0	0	113.8	V22 F45 L135 L173 L174 A179 L180 Y182	V22-P177 HydrophobicContact CG1-CG 4.22Å; V22-P177 HydrophobicContact CG2-CG 4.11Å; F45-P177 HydrophobicContact CE1-CB 4.03Å; F45-P177 HydrophobicContact CE1-CG 4.49Å; F45-P177 HydrophobicContact CE2-CB 4.33Å; F45-P177 HydrophobicContact CE2-CG 3.91Å; F45-P177 HydrophobicContact CZ-CB 3.7Å; F45-P177 HydrophobicContact CZ-CG 3.75Å; L135-P177 HydrophobicContact CD1-CB 3.9Å; L173-P177 VanDerWaalsContact O-CD 3.32Å; L173-P177 WeakPolarHBondContact O-CD 3.29Å; L174-P177 WeakPolarHBondContact O-CD 3.33Å; P177-A179 PolarHBondContact O-N 3.01Å; P177-L180 WeakPolarHBondContact O-CB 3.46Å; P177-L180 PolarHBondContact O-N 2.92Å; P177-Y182 PolarHBondContact O-OH 3.43Å
178	C	86.1	Confident	73.5	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-71.1	-13.5	177.7	-62.7	0	0	0	0	114	K138 D141 L174 G176	K138-C178 WeakPolarHBondContact CB-O 3.42Å; K138-C178 VanDerWaalsContact CD-O 3.3Å; K138-C178 WeakPolarHBondContact CD-O 3.45Å; K138-C178 VanDerWaalsContact CG-O 3.23Å; K138-C178 WeakPolarHBondContact CG-O 3.21Å; D141-C178 HydrophobicContact CB-CB 4.05Å; D141-C178 PolarHBondContact N-SG 3.24Å; L174-C178 WeakPolarHBondContact O-CB 3.47Å; L174-C178 PolarHBondContact O-N 2.8Å; L174-C178 PolarHBondContact O-SG 3.4Å; G176-C178 VanDerWaalsContact C-N 3.28Å; G176-C178 PolarHBondContact O-N 3.29Å
179	A	81.4	Confident	71.4	Confident	29 Å²	29	57.2 Å²	57.2	24%	0.24	32%	0.316	C	S	.	.	H	α-helix	trans	-77.1	-30.8	172.1	0	0	0	0	0	112.6	K138 V175 G176 P177 Y544	K138-A179 PolarHBondContact NZ-O 3.5Å; V175-A179 PolarHBondContact O-N 2.86Å; V175-A179 VanDerWaalsContact O-N 3.12Å; G176-A179 VanDerWaalsContact O-CB 3.29Å; G176-A179 WeakPolarHBondContact O-CB 3.48Å; G176-A179 PolarHBondContact O-N 3.43Å; P177-A179 PolarHBondContact O-N 3.01Å; A179-Y544 HydrophobicContact CB-CD1 4.03Å; A179-Y544 HydrophobicContact CB-CE1 3.59Å
180	L	80.2	Confident	69.4	Low	31 Å²	31	57 Å²	57	16%	0.162	31%	0.313	C	S	.	.	S	Bend	trans	-63.6	159.1	-168.5	-61.2	179.8	0	0	0	113.9	I25 M26 A29 V35 K138 P177 Y182	I25-L180 HydrophobicContact CG2-CD1 3.51Å; M26-L180 HydrophobicContact SD-CD1 4.14Å; M26-L180 HydrophobicContact SD-CD2 4.21Å; M26-L180 HydrophobicContact SD-CG 4.35Å; A29-L180 HydrophobicContact CB-CD1 3.83Å; A29-L180 HydrophobicContact CB-CD2 3.78Å; A29-L180 HydrophobicContact CB-CG 4.44Å; V35-L180 HydrophobicContact CG2-CD1 4.36Å; K138-L180 WeakPolarHBondContact CE-O 3.49Å; K138-L180 PolarHBondContact NZ-O 2.63Å; P177-L180 WeakPolarHBondContact O-CB 3.46Å; P177-L180 PolarHBondContact O-N 2.92Å; L180-Y182 HydrophobicContact CB-CE2 4.01Å
181	E	77	Confident	67	Low	153 Å²	153	66 Å²	66	72%	0.715	35%	0.353	S	S	*	.			trans	-104.2	120.8	169.5	-62.3	-160.4	155.4	0	0	110.2
182	Y	82.4	Confident	64.9	Low	28 Å²	28	75.6 Å²	75.6	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.9	-180	-64.1	-79.4	0	0	0	109.5	V35 I42 L135 F136 P177 L180	V35-Y182 HydrophobicContact CB-CD1 3.82Å; V35-Y182 HydrophobicContact CB-CE1 3.9Å; V35-Y182 HydrophobicContact CG1-CD1 4.08Å; V35-Y182 HydrophobicContact CG1-CE1 3.99Å; V35-Y182 HydrophobicContact CG2-CE1 4.41Å; V35-Y182 WeakPolarHBondContact O-CA 3.35Å; I42-Y182 HydrophobicContact CD1-CD1 3.59Å; I42-Y182 HydrophobicContact CD1-CE1 3.7Å; I42-Y182 HydrophobicContact CG1-CD1 4.33Å; I42-Y182 HydrophobicContact CG1-CE1 3.92Å; L135-Y182 HydrophobicContact CD1-CE2 4.04Å; L135-Y182 HydrophobicContact CD2-CE2 4.18Å; L135-Y182 HydrophobicContact CG-CE2 3.76Å; F136-Y182 HydrophobicContact CD1-CD1 4.3Å; F136-Y182 AromaticContact CD1-CD2 3.53Å; F136-Y182 HydrophobicContact CD1-CD2 3.53Å; F136-Y182 HydrophobicContact CD1-CE2 4.12Å; F136-Y182 AromaticContact CD1-CG 3.63Å; F136-Y182 HydrophobicContact CD1-CG 3.63Å; F136-Y182 AromaticContact CE1-CD1 3.84Å; F136-Y182 HydrophobicContact CE1-CD1 3.84Å; F136-Y182 AromaticContact CE1-CD2 3.94Å; F136-Y182 HydrophobicContact CE1-CD2 3.94Å; F136-Y182 HydrophobicContact CE1-CE1 4.35Å; F136-Y182 HydrophobicContact CE1-CE2 4.44Å; F136-Y182 AromaticContact CE1-CG 3.6Å; F136-Y182 HydrophobicContact CE1-CG 3.6Å; P177-Y182 PolarHBondContact O-OH 3.43Å; L180-Y182 HydrophobicContact CB-CE2 4.01Å
183	T	74.1	Confident	62.7	Low	43 Å²	43	75.3 Å²	75.3	26%	0.264	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	-169.4	63.3	0	0	0	0	113	F34 V35 H36 E37	F34-T183 HydrophobicContact CB-CG2 4.1Å; F34-T183 VanDerWaalsContact CD2-OG1 3.3Å; F34-T183 WeakPolarHBondContact CD2-OG1 3.38Å; V35-T183 PolarHBondContact O-N 3.04Å; H36-T183 PolarHBondContact CD2-O 3.38Å; E37-T183 PolarHBondContact N-O 2.89Å; E37-T183 VanDerWaalsContact N-O 3.14Å
184	K	62.9	Low	60.5	Low	163 Å²	163	78.9 Å²	78.9	71%	0.709	40%	0.402	S	S	*	.			trans	-89.2	-2.7	169	-61.8	-175.6	-177.1	-179.6	0	113.2	E37 K186	E37-K184 VanDerWaalsContact CD-CG 3.4Å; E37-K184 HydrophobicContact CG-CG 4.18Å; E37-K184 WeakPolarHBondContact OE1-CE 3.27Å; E37-K184 WeakPolarHBondContact OE1-CG 3.43Å; E37-K184 IonicContact OE1-NZ 2.68Å; E37-K184 WeakPolarHBondContact OE2-CE 3.41Å; K184-K186 PolarHBondContact O-N 2.89Å; K184-K186 VanDerWaalsContact O-N 3.07Å
185	M	48.3	Very low	58	Low	142 Å²	142	79.9 Å²	79.9	70%	0.7	41%	0.409	S	S	*	.			trans	-72.6	102	176.3	-96.9	-174.7	159.9	0	0	109.4	T187	M185-T187 HydrophobicContact CB-CG2 4.24Å; M185-T187 PolarHBondContact O-N 3.45Å
186	K	43.8	Very low	55.9	Low	142 Å²	142	80.3 Å²	80.3	62%	0.617	41%	0.414	S	S	*	.			trans	-65.5	89.5	145.1	-64.9	-161.9	173.7	-133.2	0	107.7	K184 H190	K184-K186 PolarHBondContact O-N 2.89Å; K184-K186 VanDerWaalsContact O-N 3.07Å; K186-H190 HydrophobicContact CB-CB 3.9Å; K186-H190 HydrophobicContact CD-CB 4.34Å; K186-H190 WeakPolarHBondContact CE-ND1 3.35Å; K186-H190 HydrophobicContact CG-CB 4.12Å; K186-H190 PolarHBondContact NZ-CE1 3.02Å; K186-H190 PolarHBondContact NZ-ND1 3.42Å
187	T	40	Very low	53.9	Low	50 Å²	50	82.8 Å²	82.8	31%	0.307	43%	0.432	S	S	.	.			trans	-63.4	171.1	162.3	54.3	0	0	0	0	109.4	M185 D189 H190	M185-T187 HydrophobicContact CB-CG2 4.24Å; M185-T187 PolarHBondContact O-N 3.45Å; T187-D189 WeakPolarHBondContact CB-OD2 3.43Å; T187-D189 PolarHBondContact O-N 2.6Å; T187-D189 VanDerWaalsContact O-N 3.12Å; T187-D189 WeakPolarHBondContact OG1-CB 3.42Å; T187-D189 PolarHBondContact OG1-OD2 3.14Å; T187-H190 WeakPolarHBondContact O-CB 3.46Å; T187-H190 PolarHBondContact O-N 3.4Å
188	A	36.3	Very low	51.5	Low	84 Å²	84	88 Å²	88	69%	0.694	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25	172.6	0	0	0	0	0	112	H190 F191	A188-H190 PolarHBondContact O-N 2.97Å; A188-H190 VanDerWaalsContact O-N 3.11Å; A188-F191 PolarHBondContact O-N 3.22Å; A188-F191 VanDerWaalsContact O-N 3.13Å
189	D	38.3	Very low	49.3	Very low	64 Å²	64	91.2 Å²	91.2	34%	0.342	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-62.2	-11.8	173.3	-27.9	-77.4	0	0	0	112.4	T187 F191 W192 T193 K388	T187-D189 WeakPolarHBondContact CB-OD2 3.43Å; T187-D189 PolarHBondContact O-N 2.6Å; T187-D189 VanDerWaalsContact O-N 3.12Å; T187-D189 WeakPolarHBondContact OG1-CB 3.42Å; T187-D189 PolarHBondContact OG1-OD2 3.14Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 3.46Å; D189-W192 CarbonylContact O-C 3.6Å; D189-W192 PolarHBondContact O-N 2.95Å; D189-W192 VanDerWaalsContact O-N 3.08Å; D189-T193 WeakPolarHBondContact O-CG2 3.3Å; D189-T193 PolarHBondContact O-N 3.02Å; D189-K388 IonicContact OD1-NZ 3.54Å; D189-K388 PolarHBondContact OD1-NZ 3Å; D189-K388 VanDerWaalsContact OD1-NZ 3.09Å
190	H	37.8	Very low	47.5	Very low	54 Å²	54	93.9 Å²	93.9	25%	0.25	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-76.3	-11.6	172.6	-131.3	-102.4	0	0	0	114.4	H36 K186 T187 A188	H36-H190 AromaticContact CD2-CD2 3.9Å; H36-H190 AromaticContact CD2-NE2 3.42Å; H36-H190 PolarHBondContact CD2-NE2 3.5Å; H36-H190 AromaticContact CE1-CE1 3.73Å; H36-H190 AromaticContact CE1-NE2 3.33Å; H36-H190 PolarHBondContact CE1-NE2 3.32Å; H36-H190 VanDerWaalsContact CE1-NE2 3.33Å; H36-H190 AromaticContact CG-NE2 3.52Å; H36-H190 AromaticContact ND1-NE2 3.44Å; H36-H190 PolarHBondContact ND1-NE2 3.01Å; H36-H190 AromaticContact NE2-CD2 3.94Å; H36-H190 AromaticContact NE2-CE1 3.91Å; H36-H190 AromaticContact NE2-NE2 3.28Å; H36-H190 PolarHBondContact NE2-NE2 3.27Å; K186-H190 HydrophobicContact CB-CB 3.9Å; K186-H190 HydrophobicContact CD-CB 4.34Å; K186-H190 WeakPolarHBondContact CE-ND1 3.35Å; K186-H190 HydrophobicContact CG-CB 4.12Å; K186-H190 PolarHBondContact NZ-CE1 3.02Å; K186-H190 PolarHBondContact NZ-ND1 3.42Å; T187-H190 WeakPolarHBondContact O-CB 3.46Å; T187-H190 PolarHBondContact O-N 3.4Å; A188-H190 PolarHBondContact O-N 2.97Å; A188-H190 VanDerWaalsContact O-N 3.11Å
191	F	35.8	Very low	45.8	Very low	189 Å²	189	95.6 Å²	95.6	83%	0.829	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-88.3	-11.3	164.6	-94.3	-91.7	0	0	0	112.3	A188 D189	A188-F191 PolarHBondContact O-N 3.22Å; A188-F191 VanDerWaalsContact O-N 3.13Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 3.46Å
192	W	37.5	Very low	44	Very low	207 Å²	207	93 Å²	93	78%	0.784	48%	0.484	S	S	*	.	S	Bend	trans	-136.7	27.9	-173.2	-65.8	105.8	0	0	0	112.6	D189 D194	D189-W192 CarbonylContact O-C 3.6Å; D189-W192 PolarHBondContact O-N 2.95Å; D189-W192 VanDerWaalsContact O-N 3.08Å; W192-D194 PolarHBondContact O-N 3.25Å
193	T	34.3	Very low	42	Very low	75 Å²	75	97.5 Å²	97.5	46%	0.46	50%	0.5	S	S	.	.			trans	-77.5	108.8	164.8	30.5	0	0	0	0	106.5	D189	D189-T193 WeakPolarHBondContact O-CG2 3.3Å; D189-T193 PolarHBondContact O-N 3.02Å
194	D	36.3	Very low	40.4	Very low	115 Å²	115	102.2 Å²	102.2	62%	0.615	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-52.8	136	174.9	-75	-55.7	0	0	0	110.4	W192	W192-D194 PolarHBondContact O-N 3.25Å
195	P	36	Very low	39.2	Very low	21 Å²	21	102.9 Å²	102.9	14%	0.136	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-59.2	150.1	170.6	-11.5	25.8	0	0	0	108.8	E199 L200	P195-E199 HydrophobicContact CB-CB 3.85Å; P195-E199 HydrophobicContact CB-CG 3.83Å; P195-L200 HydrophobicContact CB-CD2 4.31Å; P195-L200 HydrophobicContact CB-CG 4.01Å; P195-L200 HydrophobicContact CG-CD2 3.82Å; P195-L200 HydrophobicContact CG-CG 4.07Å
196	S	39.6	Very low	38.7	Very low	64 Å²	64	101.2 Å²	101.2	45%	0.448	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-56.7	154.6	174.4	66.3	0	0	0	0	110.7	D198 E199 L200	S196-D198 PolarHBondContact O-N 3.44Å; S196-D198 VanDerWaalsContact O-N 3.11Å; S196-E199 PolarHBondContact N-OE2 3.48Å; S196-E199 CarbonylContact O-C 3.52Å; S196-E199 WeakPolarHBondContact O-CA 3.35Å; S196-E199 WeakPolarHBondContact O-CB 3.35Å; S196-E199 PolarHBondContact O-N 3.28Å; S196-E199 WeakPolarHBondContact OG-CB 3.45Å; S196-E199 PolarHBondContact OG-N 3.44Å; S196-L200 PolarHBondContact O-N 3.33Å
197	A	36.8	Very low	38.3	Very low	79 Å²	79	102.3 Å²	102.3	65%	0.653	52%	0.517	S	S	*	.	H	α-helix	trans	-53.2	-38.8	-177.2	0	0	0	0	0	112.8	E199 L200 V201	A197-E199 VanDerWaalsContact C-N 3.33Å; A197-E199 PolarHBondContact O-N 3.42Å; A197-L200 PolarHBondContact O-N 3.04Å; A197-V201 WeakPolarHBondContact O-CB 3.33Å; A197-V201 VanDerWaalsContact O-CG2 3.3Å; A197-V201 WeakPolarHBondContact O-CG2 3.46Å; A197-V201 PolarHBondContact O-N 3.28Å
198	D	37	Very low	38.1	Very low	109 Å²	109	104.4 Å²	104.4	58%	0.583	53%	0.534	S	S	*	.	H	α-helix	trans	-65.3	-34.7	175.3	-144.4	4.7	0	0	0	112.1	S196 Q202	S196-D198 PolarHBondContact O-N 3.44Å; S196-D198 VanDerWaalsContact O-N 3.11Å; D198-Q202 WeakPolarHBondContact O-CB 3.2Å; D198-Q202 WeakPolarHBondContact O-CG 3.24Å; D198-Q202 PolarHBondContact O-N 3.44Å
199	E	40.2	Very low	37.8	Very low	74 Å²	74	103.9 Å²	103.9	35%	0.346	53%	0.525	S	S	.	.	H	α-helix	trans	-79.4	-32.9	176.9	-166.5	-174.6	176	0	0	112.9	P195 S196 A197 Q202 R203	P195-E199 HydrophobicContact CB-CB 3.85Å; P195-E199 HydrophobicContact CB-CG 3.83Å; S196-E199 PolarHBondContact N-OE2 3.48Å; S196-E199 CarbonylContact O-C 3.52Å; S196-E199 WeakPolarHBondContact O-CA 3.35Å; S196-E199 WeakPolarHBondContact O-CB 3.35Å; S196-E199 PolarHBondContact O-N 3.28Å; S196-E199 WeakPolarHBondContact OG-CB 3.45Å; S196-E199 PolarHBondContact OG-N 3.44Å; A197-E199 VanDerWaalsContact C-N 3.33Å; A197-E199 PolarHBondContact O-N 3.42Å; E199-Q202 PolarHBondContact O-N 3.38Å; E199-R203 WeakPolarHBondContact O-CB 3.47Å; E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.07Å; E199-R203 IonicContact OE1-CZ 3.84Å; E199-R203 IonicContact OE1-NE 3.79Å; E199-R203 PolarHBondContact OE1-NE 3.17Å; E199-R203 IonicContact OE1-NH2 3.86Å; E199-R203 PolarHBondContact OE1-NH2 2.9Å
200	L	43	Very low	37.4	Very low	85 Å²	85	109.8 Å²	109.8	45%	0.445	55%	0.55	S	S	.	*	H	α-helix	trans	-62.5	-47.5	167.8	-81.8	169.8	0	0	0	110.4	P195 S196 A197 Q202 R203 H204	P195-L200 HydrophobicContact CB-CD2 4.31Å; P195-L200 HydrophobicContact CB-CG 4.01Å; P195-L200 HydrophobicContact CG-CD2 3.82Å; P195-L200 HydrophobicContact CG-CG 4.07Å; S196-L200 PolarHBondContact O-N 3.33Å; A197-L200 PolarHBondContact O-N 3.04Å; L200-Q202 PolarHBondContact O-N 3.47Å; L200-R203 PolarHBondContact O-N 2.9Å; L200-H204 PolarHBondContact O-N 2.8Å
201	V	44.2	Very low	37.1	Very low	66 Å²	66	114.1 Å²	114.1	40%	0.4	58%	0.58	S	S	.	*	H	α-helix	trans	-62.7	-39.5	175.5	168	0	0	0	0	111.6	A197 R205	A197-V201 WeakPolarHBondContact O-CB 3.33Å; A197-V201 VanDerWaalsContact O-CG2 3.3Å; A197-V201 WeakPolarHBondContact O-CG2 3.46Å; A197-V201 PolarHBondContact O-N 3.28Å; V201-R205 VanDerWaalsContact CG1-NH1 3.31Å; V201-R205 WeakPolarHBondContact O-CG 2.95Å; V201-R205 PolarHBondContact O-N 2.93Å
202	Q	39.5	Very low	36.8	Very low	100 Å²	100	116.4 Å²	116.4	47%	0.467	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-43	172.8	-76.8	172.7	36.6	0	0	112.3	D198 E199 L200 H204 R205 I206	D198-Q202 WeakPolarHBondContact O-CB 3.2Å; D198-Q202 WeakPolarHBondContact O-CG 3.24Å; D198-Q202 PolarHBondContact O-N 3.44Å; E199-Q202 PolarHBondContact O-N 3.38Å; L200-Q202 PolarHBondContact O-N 3.47Å; Q202-H204 VanDerWaalsContact C-N 3.34Å; Q202-H204 PolarHBondContact O-N 2.9Å; Q202-R205 CarbonylContact O-C 3.2Å; Q202-R205 PolarHBondContact O-N 2.78Å; Q202-R205 VanDerWaalsContact O-N 3.14Å; Q202-I206 WeakPolarHBondContact O-CD1 3.4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.21Å; Q202-I206 PolarHBondContact O-N 3.24Å
203	R	40.8	Very low	36.4	Very low	121 Å²	121	114.7 Å²	114.7	46%	0.457	58%	0.584	S	S	.	*	H	α-helix	trans	-62.8	-39.6	176	-72.5	169.2	-172	-150.4	9.8	111.4	E199 L200 R205 I206 H207	E199-R203 WeakPolarHBondContact O-CB 3.47Å; E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.07Å; E199-R203 IonicContact OE1-CZ 3.84Å; E199-R203 IonicContact OE1-NE 3.79Å; E199-R203 PolarHBondContact OE1-NE 3.17Å; E199-R203 IonicContact OE1-NH2 3.86Å; E199-R203 PolarHBondContact OE1-NH2 2.9Å; L200-R203 PolarHBondContact O-N 2.9Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 3.44Å; R203-I206 PolarHBondContact O-N 3.27Å; R203-I206 VanDerWaalsContact O-N 3.13Å; R203-H207 PolarHBondContact O-CD2 2.83Å; R203-H207 PolarHBondContact O-N 2.84Å
204	H	39.8	Very low	36	Very low	142 Å²	142	118.9 Å²	118.9	66%	0.657	60%	0.603	S	S	*	*	H	α-helix	trans	-61	-40.6	172.1	-121.1	65.2	0	0	0	112.3	L200 Q202 I206 H207 S208	L200-H204 PolarHBondContact O-N 2.8Å; Q202-H204 VanDerWaalsContact C-N 3.34Å; Q202-H204 PolarHBondContact O-N 2.9Å; H204-I206 VanDerWaalsContact C-N 3.31Å; H204-I206 PolarHBondContact O-N 2.94Å; H204-H207 PolarHBondContact O-N 2.76Å; H204-S208 PolarHBondContact O-N 2.8Å; H204-S208 PolarHBondContact O-OG 2.89Å
205	R	37.5	Very low	35.6	Very low	177 Å²	177	118.2 Å²	118.2	67%	0.668	61%	0.608	S	S	*	*	H	α-helix	trans	-69.5	-21.2	173.2	-74.1	179.3	174	131.9	4.1	114.7	V201 Q202 R203 S208	V201-R205 VanDerWaalsContact CG1-NH1 3.31Å; V201-R205 WeakPolarHBondContact O-CG 2.95Å; V201-R205 PolarHBondContact O-N 2.93Å; Q202-R205 CarbonylContact O-C 3.2Å; Q202-R205 PolarHBondContact O-N 2.78Å; Q202-R205 VanDerWaalsContact O-N 3.14Å; R203-R205 VanDerWaalsContact C-N 3.34Å; R203-R205 PolarHBondContact O-N 3.44Å; R205-S208 PolarHBondContact O-OG 3.44Å
206	I	37.4	Very low	36.1	Very low	108 Å²	108	122.5 Å²	122.5	55%	0.554	64%	0.636	S	S	*	*	H	α-helix	trans	-85.1	-34.2	175.9	-69.5	161.3	0	0	0	110.8	Q202 R203 H204 S208 S209	Q202-I206 WeakPolarHBondContact O-CD1 3.4Å; Q202-I206 VanDerWaalsContact O-CG1 3.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.21Å; Q202-I206 PolarHBondContact O-N 3.24Å; R203-I206 PolarHBondContact O-N 3.27Å; R203-I206 VanDerWaalsContact O-N 3.13Å; H204-I206 VanDerWaalsContact C-N 3.31Å; H204-I206 PolarHBondContact O-N 2.94Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 3.45Å; I206-S209 PolarHBondContact O-N 2.93Å; I206-S209 PolarHBondContact O-OG 3.5Å
207	H	36.7	Very low	35.7	Very low	164 Å²	164	125.4 Å²	125.4	76%	0.759	65%	0.651	S	S	*	*	H	α-helix	trans	-75.7	-14.9	176.9	-73.4	-62.3	0	0	0	114.1	R203 H204	R203-H207 PolarHBondContact O-CD2 2.83Å; R203-H207 PolarHBondContact O-N 2.84Å; H204-H207 PolarHBondContact O-N 2.76Å
208	S	34.7	Very low	35.4	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-6.7	171.9	58.1	0	0	0	0	114.8	H204 R205 I206 H210	H204-S208 PolarHBondContact O-N 2.8Å; H204-S208 PolarHBondContact O-OG 2.89Å; R205-S208 PolarHBondContact O-OG 3.44Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 3.45Å; S208-H210 PolarHBondContact O-N 3.23Å; S208-H210 VanDerWaalsContact O-N 3.08Å
209	S	30.5	Very low	35.4	Very low	74 Å²	74	137.5 Å²	137.5	52%	0.517	68%	0.677	S	S	.	*			trans	-84.4	83.3	-177.7	67.4	0	0	0	0	113	I206	I206-S209 PolarHBondContact O-N 2.93Å; I206-S209 PolarHBondContact O-OG 3.5Å
210	H	30.1	Very low	34.9	Very low	188 Å²	188	140.1 Å²	140.1	87%	0.87	70%	0.701	S	S	*	*			trans	-137.9	30.1	163.7	-117.5	66.1	0	0	0	116.2	S208	S208-H210 PolarHBondContact O-N 3.23Å; S208-H210 VanDerWaalsContact O-N 3.08Å
211	V	30.9	Very low	34.1	Very low	145 Å²	145	140 Å²	140	88%	0.879	71%	0.712	S	S	*	*	S	Bend	trans	-118.8	148.5	149.9	-177.9	0	0	0	0	107.9
212	R	29.7	Very low	33.6	Very low	236 Å²	236	144.9 Å²	144.9	89%	0.891	74%	0.735	S	S	*	*			trans	-83.1	147.1	-162.7	-70.5	-173.1	178.9	-173.5	0.7	114.9
213	Q	30.1	Very low	33	Very low	172 Å²	172	146 Å²	146	80%	0.804	75%	0.752	S	S	*	*			trans	-7.8	135.1	154.7	-58.5	177.8	-64.4	0	0	117.8
214	D	26.2	Very low	32.9	Very low	162 Å²	162	147.8 Å²	147.8	87%	0.866	77%	0.769	S	S	*	*				-145	179.5	100.3	-125.5	-29.6	0	0	0	111.6
215	S	26.5	Very low	32.4	Very low	101 Å²	101	150 Å²	150	71%	0.706	78%	0.78	S	S	*	*			trans	-152.7	162.6	-171.5	-75.8	0	0	0	0	112.9
216	P	45.9	Very low	32	Very low	112 Å²	112	150 Å²	150	73%	0.727	79%	0.785	S	S	*	*			cis	-130.5	-163.3	-14.1	31.3	-8.9	0	0	0	112.8
217	T	32.1	Very low	31.8	Very low	124 Å²	124	155.9 Å²	155.9	76%	0.761	80%	0.8	S	S	*	*			trans	72.8	91.7	163.1	65.4	0	0	0	0	119.7
218	K	29.7	Very low	31.3	Very low	203 Å²	203	156.5 Å²	156.5	88%	0.883	80%	0.803	S	S	*	*				-177.5	160.7	119.7	-97.3	157.6	-173.1	176.6	0	110.2
219	R	38.8	Very low	31.2	Very low	239 Å²	239	157.6 Å²	157.6	90%	0.902	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-72.3	135.9	167.1	-65.2	176.7	179	166.3	-2.8	108.8
220	P	28.1	Very low	31.2	Very low	130 Å²	130	159.9 Å²	159.9	84%	0.844	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.3	151.7	-14.8	30.3	0	0	0	108.3
221	A	27.9	Very low	31.2	Very low	83 Å²	83	154.6 Å²	154.6	69%	0.686	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-90.4	166.6	171.1	0	0	0	0	0	110.2	C223	A221-C223 PolarHBondContact O-N 2.86Å; A221-C223 VanDerWaalsContact O-N 3.13Å
222	L	32.8	Very low	31.3	Very low	168 Å²	168	153.6 Å²	153.6	88%	0.88	82%	0.822	S	S	*	*			trans	-62.6	110.7	165.6	-76	160.4	0	0	0	109.1	I224	L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.35Å
223	C	26.7	Very low	31.6	Very low	122 Å²	122	151.1 Å²	151.1	82%	0.824	82%	0.823	S	S	*	*			trans	-77	82.9	173.9	-75.5	0	0	0	0	110.7	A221 Q225	A221-C223 PolarHBondContact O-N 2.86Å; A221-C223 VanDerWaalsContact O-N 3.13Å; C223-Q225 PolarHBondContact O-N 2.67Å; C223-Q225 VanDerWaalsContact O-N 3.1Å
224	I	38.7	Very low	31.8	Very low	159 Å²	159	150.3 Å²	150.3	82%	0.815	82%	0.824	S	S	*	*			trans	-69.5	98.8	158	-59.8	174.5	0	0	0	106.9	L222	L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.35Å
225	Q	29.3	Very low	32	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.883	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-89.1	117	169.7	-110.5	-178.7	-13.8	0	0	110.4	C223	C223-Q225 PolarHBondContact O-N 2.67Å; C223-Q225 VanDerWaalsContact O-N 3.1Å
226	K	29.8	Very low	32.3	Very low	177 Å²	177	156.8 Å²	156.8	77%	0.77	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-74.1	139.6	-179.3	-167.6	173.8	-176.4	175.9	0	109.9	H228	K226-H228 PolarHBondContact O-N 2.76Å
227	R	31.9	Very low	31.8	Very low	232 Å²	232	157 Å²	157	88%	0.875	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.9	179.3	-71.5	-179.5	176.1	172.8	-2.2	112
228	H	27.7	Very low	32	Very low	177 Å²	177	156.5 Å²	156.5	82%	0.819	84%	0.836	S	S	*	*			trans	-131.9	136.4	152.1	-64.9	-70.5	0	0	0	107.4	K226	K226-H228 PolarHBondContact O-N 2.76Å
229	S	31.8	Very low	32.9	Very low	117 Å²	117	152.8 Å²	152.8	82%	0.818	83%	0.825	S	S	*	*			trans	-101.2	128	-157.4	-46.3	0	0	0	0	113.8
230	S	31.3	Very low	33.8	Very low	122 Å²	122	143.6 Å²	143.6	85%	0.853	80%	0.798	S	S	*	*			trans	-176.5	120.9	143.7	56	0	0	0	0	113.8
231	G	30.2	Very low	34.9	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	77%	0.765	S	S	*	*			trans	89.3	141.2	145.5	0	0	0	0	0	119.3
232	S	31.5	Very low	36.3	Very low	125 Å²	125	139.3 Å²	139.3	87%	0.874	75%	0.751	S	S	*	*			trans	65.3	129.4	169.7	-139.7	0	0	0	0	118.3
233	M	36.3	Very low	37.6	Very low	183 Å²	183	135.5 Å²	135.5	90%	0.901	73%	0.731	S	S	*	*			trans	-109.8	101.5	164.1	-66	-179.2	73.5	0	0	107.9
234	D	34.4	Very low	39.2	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	71%	0.714	S	S	*	*			trans	178.7	102.3	144.3	-100.4	-24.8	0	0	0	108.6
235	D	31.4	Very low	40.2	Very low	166 Å²	166	127.6 Å²	127.6	89%	0.888	68%	0.675	S	S	*	*			trans	-169	91.2	163.3	-107	-29.8	0	0	0	107.9
236	R	32.9	Very low	41.9	Very low	233 Å²	233	120.7 Å²	120.7	88%	0.879	64%	0.642	S	S	*	*			trans	-80.1	133.3	157.3	-66.3	-173.7	-169.7	179	4.9	106.6	S238	R236-S238 PolarHBondContact O-N 3.03Å
237	P	34.4	Very low	43.6	Very low	116 Å²	116	115.2 Å²	115.2	75%	0.753	63%	0.626	S	S	*	*			trans	-64	112.6	168.1	27.4	-32.3	0	0	0	108.5	L239	P237-L239 VanDerWaalsContact C-N 3.34Å; P237-L239 PolarHBondContact O-N 2.71Å
238	S	36.5	Very low	45.1	Very low	115 Å²	115	106.9 Å²	106.9	80%	0.804	60%	0.599	S	S	*	*			trans	-66.1	94.5	169.2	37.3	0	0	0	0	108.9	R236 S240	R236-S238 PolarHBondContact O-N 3.03Å; S238-S240 PolarHBondContact O-N 2.87Å
239	L	49.1	Very low	47	Very low	124 Å²	124	99.6 Å²	99.6	65%	0.649	57%	0.565	S	S	*	*			trans	-54.1	131.8	161.1	-67.6	171.5	0	0	0	107.1	P237 A241	P237-L239 VanDerWaalsContact C-N 3.34Å; P237-L239 PolarHBondContact O-N 2.71Å; L239-A241 PolarHBondContact O-N 3.08Å
240	S	57	Low	48.4	Very low	47 Å²	47	100.5 Å²	100.5	33%	0.329	56%	0.557	S	S	.	*			trans	-62	142.1	175.8	80.1	0	0	0	0	108.1	S238 R242 D243 Y244	S238-S240 PolarHBondContact O-N 2.87Å; S240-R242 PolarHBondContact O-N 2.95Å; S240-D243 VanDerWaalsContact CB-OD2 3.3Å; S240-D243 WeakPolarHBondContact CB-OD2 3.26Å; S240-D243 PolarHBondContact N-OD2 3.37Å; S240-D243 WeakPolarHBondContact O-CA 3.46Å; S240-D243 WeakPolarHBondContact O-CB 3.37Å; S240-D243 PolarHBondContact O-N 3.09Å; S240-D243 PolarHBondContact OG-N 2.99Å; S240-D243 VanDerWaalsContact OG-N 3.14Å; S240-D243 PolarHBondContact OG-OD2 3.39Å; S240-Y244 PolarHBondContact O-N 3.37Å
241	A	51.3	Low	49.6	Very low	17 Å²	17	98.5 Å²	98.5	14%	0.14	54%	0.536	C	S	.	.	H	α-helix	trans	-56.9	-27.5	179.3	0	0	0	0	0	111.7	L239 Y244 V245 Y306 W312	L239-A241 PolarHBondContact O-N 3.08Å; A241-Y244 PolarHBondContact O-N 3.07Å; A241-V245 VanDerWaalsContact O-CG2 3.25Å; A241-V245 WeakPolarHBondContact O-CG2 3.4Å; A241-V245 PolarHBondContact O-N 2.76Å; A241-Y306 HydrophobicContact CB-CD1 3.24Å; A241-Y306 HydrophobicContact CB-CE1 3.58Å; A241-Y306 HydrophobicContact CB-CG 4.14Å; A241-W312 HydrophobicContact CB-CZ2 4.4Å
242	R	57.1	Low	50.9	Low	106 Å²	106	100.9 Å²	100.9	40%	0.4	54%	0.541	S	S	.	.	H	α-helix	trans	-62.8	-48.1	168.6	175.3	177.3	167.7	-165.2	-9.6	112.9	S240 Y244 V245 E246 M297	S240-R242 PolarHBondContact O-N 2.95Å; R242-Y244 PolarHBondContact O-N 3.31Å; R242-V245 PolarHBondContact O-N 2.99Å; R242-E246 HydrophobicContact CG-CG 4.46Å; R242-E246 IonicContact CZ-OE1 3.26Å; R242-E246 IonicContact NE-OE1 3.73Å; R242-E246 PolarHBondContact NE-OE1 3.2Å; R242-E246 IonicContact NH2-OE1 3.39Å; R242-E246 PolarHBondContact NH2-OE1 3.46Å; R242-E246 WeakPolarHBondContact O-CB 3.24Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.84Å; R242-M297 WeakPolarHBondContact CD-O 3.47Å; R242-M297 WeakPolarHBondContact CG-O 3.21Å
243	D	60.7	Low	52.4	Low	87 Å²	87	105.4 Å²	105.4	47%	0.465	54%	0.539	S	S	.	.	H	α-helix	trans	-60	-36.9	176.1	-61.4	-57	0	0	0	110.9	S240 S247	S240-D243 VanDerWaalsContact CB-OD2 3.3Å; S240-D243 WeakPolarHBondContact CB-OD2 3.26Å; S240-D243 PolarHBondContact N-OD2 3.37Å; S240-D243 WeakPolarHBondContact O-CA 3.46Å; S240-D243 WeakPolarHBondContact O-CB 3.37Å; S240-D243 PolarHBondContact O-N 3.09Å; S240-D243 PolarHBondContact OG-N 2.99Å; S240-D243 VanDerWaalsContact OG-N 3.14Å; S240-D243 PolarHBondContact OG-OD2 3.39Å; D243-S247 WeakPolarHBondContact O-CB 3.44Å; D243-S247 PolarHBondContact O-N 3.26Å
244	Y	59.5	Low	54.1	Low	116 Å²	116	97.7 Å²	97.7	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-47.6	173.9	179.7	-120.8	0	0	0	112.1	S240 A241 R242 E246 S247 L248 W312	S240-Y244 PolarHBondContact O-N 3.37Å; A241-Y244 PolarHBondContact O-N 3.07Å; R242-Y244 PolarHBondContact O-N 3.31Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; Y244-E246 PolarHBondContact O-N 3.23Å; Y244-S247 WeakPolarHBondContact O-CA 2.81Å; Y244-S247 WeakPolarHBondContact O-CB 3.21Å; Y244-S247 PolarHBondContact O-N 2.86Å; Y244-S247 PolarHBondContact O-OG 3.38Å; Y244-L248 HydrophobicContact CD1-CD1 4.41Å; Y244-L248 HydrophobicContact CE1-CD1 4Å; Y244-L248 HydrophobicContact CE2-CD2 4.29Å; Y244-L248 HydrophobicContact CE2-CG 4.4Å; Y244-L248 WeakPolarHBondContact O-CG 3.34Å; Y244-L248 PolarHBondContact O-N 3.43Å; Y244-W312 AromaticContact CD1-CH2 3.68Å; Y244-W312 HydrophobicContact CD1-CH2 3.68Å; Y244-W312 HydrophobicContact CD1-CZ2 4.27Å; Y244-W312 AromaticContact CE1-CH2 3.91Å; Y244-W312 HydrophobicContact CE1-CH2 3.91Å; Y244-W312 HydrophobicContact CE1-CZ3 4.35Å
245	V	60.3	Low	56.1	Low	0 Å²	0	94.5 Å²	94.5	0%	0	49%	0.491	C	S	.	.	H	α-helix	trans	-61.8	-40.6	175.2	175.7	0	0	0	0	111.8	A241 R242 S247 L248 H249 T292 L296 M297 W312	A241-V245 VanDerWaalsContact O-CG2 3.25Å; A241-V245 WeakPolarHBondContact O-CG2 3.4Å; A241-V245 PolarHBondContact O-N 2.76Å; R242-V245 PolarHBondContact O-N 2.99Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-L248 PolarHBondContact O-N 3.38Å; V245-H249 PolarHBondContact O-N 3.48Å; V245-H249 PolarHBondContact O-ND1 3.02Å; V245-T292 HydrophobicContact CG1-CG2 3.94Å; V245-L296 HydrophobicContact CG2-CB 4.09Å; V245-M297 HydrophobicContact CG1-CE 4.28Å; V245-M297 HydrophobicContact CG1-SD 3.35Å; V245-M297 WeakPolarHBondContact CG1-SD 3.21Å; V245-W312 HydrophobicContact CG2-CH2 3.28Å; V245-W312 HydrophobicContact CG2-CZ2 3.83Å; V245-W312 HydrophobicContact CG2-CZ3 4.02Å
246	E	64.9	Low	58.5	Low	44 Å²	44	90.8 Å²	90.8	21%	0.206	47%	0.47	C	S	.	.	H	α-helix	trans	-62.6	-39.6	172.6	-75.3	-166.7	-149.8	0	0	110.7	R242 Y244 L248 H249 Q250 M297	R242-E246 HydrophobicContact CG-CG 4.46Å; R242-E246 IonicContact CZ-OE1 3.26Å; R242-E246 IonicContact NE-OE1 3.73Å; R242-E246 PolarHBondContact NE-OE1 3.2Å; R242-E246 IonicContact NH2-OE1 3.39Å; R242-E246 PolarHBondContact NH2-OE1 3.46Å; R242-E246 WeakPolarHBondContact O-CB 3.24Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.84Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; Y244-E246 PolarHBondContact O-N 3.23Å; E246-L248 PolarHBondContact O-N 3.42Å; E246-H249 CarbonylContact O-C 3.59Å; E246-H249 PolarHBondContact O-N 2.72Å; E246-H249 VanDerWaalsContact O-N 3.14Å; E246-Q250 WeakPolarHBondContact O-CB 3.4Å; E246-Q250 VanDerWaalsContact O-CG 3.29Å; E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 3.43Å; E246-Q250 PolarHBondContact OE2-NE2 2.96Å; E246-M297 HydrophobicContact CG-CE 4.43Å
247	S	65.1	Low	60.7	Low	62 Å²	62	82 Å²	82	43%	0.434	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-36	174.7	85.8	0	0	0	0	113.6	D243 Y244 V245 H249 Q250	D243-S247 WeakPolarHBondContact O-CB 3.44Å; D243-S247 PolarHBondContact O-N 3.26Å; Y244-S247 WeakPolarHBondContact O-CA 2.81Å; Y244-S247 WeakPolarHBondContact O-CB 3.21Å; Y244-S247 PolarHBondContact O-N 2.86Å; Y244-S247 PolarHBondContact O-OG 3.38Å; V245-S247 VanDerWaalsContact C-N 3.32Å; S247-H249 PolarHBondContact O-N 3.49Å; S247-H249 VanDerWaalsContact O-N 3.14Å; S247-Q250 CarbonylContact O-C 3.58Å; S247-Q250 PolarHBondContact O-N 2.76Å; S247-Q250 VanDerWaalsContact O-N 3.16Å
248	L	63.1	Low	63.1	Low	57 Å²	57	77 Å²	77	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-20.1	174.6	-69.1	174.9	0	0	0	113	Y244 V245 E246 K290 W312	Y244-L248 HydrophobicContact CD1-CD1 4.41Å; Y244-L248 HydrophobicContact CE1-CD1 4Å; Y244-L248 HydrophobicContact CE2-CD2 4.29Å; Y244-L248 HydrophobicContact CE2-CG 4.4Å; Y244-L248 WeakPolarHBondContact O-CG 3.34Å; Y244-L248 PolarHBondContact O-N 3.43Å; V245-L248 PolarHBondContact O-N 3.38Å; E246-L248 PolarHBondContact O-N 3.42Å; L248-K290 PolarHBondContact O-NZ 3.44Å; L248-W312 HydrophobicContact CD1-CZ3 4.24Å
249	H	67.1	Low	65.4	Low	24 Å²	24	73.3 Å²	73.3	11%	0.111	39%	0.386	C	S	.	.	H	α-helix	trans	-103.8	-20.8	176.2	-68.5	87.2	0	0	0	113.4	V245 E246 S247 Y277 S279 H281 T292	V245-H249 PolarHBondContact O-N 3.48Å; V245-H249 PolarHBondContact O-ND1 3.02Å; E246-H249 CarbonylContact O-C 3.59Å; E246-H249 PolarHBondContact O-N 2.72Å; E246-H249 VanDerWaalsContact O-N 3.14Å; S247-H249 PolarHBondContact O-N 3.49Å; S247-H249 VanDerWaalsContact O-N 3.14Å; H249-Y277 AromaticContact CD2-CD1 3.67Å; H249-Y277 AromaticContact CD2-CE1 3.7Å; H249-Y277 AromaticContact NE2-CD1 3.74Å; H249-S279 PolarHBondContact CD2-OG 3.14Å; H249-S279 PolarHBondContact NE2-OG 2.95Å; H249-H281 PolarHBondContact O-CE1 3.13Å; H249-T292 PolarHBondContact CE1-OG1 3.32Å
250	Q	61.8	Low	67	Low	136 Å²	136	69.7 Å²	69.7	64%	0.636	37%	0.365	S	S	*	.			trans	-101.5	61.7	-179.7	-67.4	-179.7	43.9	0	0	112	E246 S247	E246-Q250 WeakPolarHBondContact O-CB 3.4Å; E246-Q250 VanDerWaalsContact O-CG 3.29Å; E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 3.43Å; E246-Q250 PolarHBondContact OE2-NE2 2.96Å; S247-Q250 CarbonylContact O-C 3.58Å; S247-Q250 PolarHBondContact O-N 2.76Å; S247-Q250 VanDerWaalsContact O-N 3.16Å
251	N	57.7	Low	68.3	Low	79 Å²	79	70.6 Å²	70.6	42%	0.422	37%	0.367	S	S	.	.			trans	-86.2	113.4	174.6	-176.4	-7	0	0	0	111.4	R253 A254	N251-R253 PolarHBondContact O-N 2.73Å; N251-R253 VanDerWaalsContact O-N 3.09Å; N251-R253 WeakPolarHBondContact OD1-CB 3.18Å; N251-R253 PolarHBondContact OD1-N 3.1Å; N251-A254 HydrophobicContact CB-CB 3.99Å; N251-A254 PolarHBondContact O-N 3.04Å
252	S	56.6	Low	69.9	Low	127 Å²	127	74 Å²	74	89%	0.888	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.2	178.4	59.7	0	0	0	0	115.3
253	R	62.2	Low	71.5	Confident	220 Å²	220	69 Å²	69	83%	0.83	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.4	174.9	-71.7	176.8	154.5	175.4	-8.9	114.1	N251	N251-R253 PolarHBondContact O-N 2.73Å; N251-R253 VanDerWaalsContact O-N 3.09Å; N251-R253 WeakPolarHBondContact OD1-CB 3.18Å; N251-R253 PolarHBondContact OD1-N 3.1Å
254	A	72.7	Confident	72.9	Confident	21 Å²	21	68 Å²	68	17%	0.174	36%	0.358	C	S	.	.	S	Bend	trans	-120.6	140.4	179.6	0	0	0	0	0	111.7	N251 H281 T283	N251-A254 HydrophobicContact CB-CB 3.99Å; N251-A254 PolarHBondContact O-N 3.04Å; A254-H281 HydrophobicContact CB-CB 4.35Å; A254-T283 HydrophobicContact CB-CG2 3.77Å
255	T	77.2	Confident	74.4	Confident	88 Å²	88	62.5 Å²	62.5	54%	0.54	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.3	174.8	-55.9	0	0	0	0	109.6	L257 H281 Q282	T255-L257 HydrophobicContact CG2-CD2 4.1Å; T255-L257 PolarHBondContact O-N 3.23Å; T255-H281 CarbonylContact O-C 3.47Å; T255-H281 WeakPolarHBondContact O-CA 3.32Å; T255-Q282 PolarHBondContact N-O 3.46Å; T255-Q282 PolarHBondContact O-N 2.64Å
256	L	81.8	Confident	75.6	Confident	88 Å²	88	64.7 Å²	64.7	46%	0.461	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.6	170.2	-178.4	70.7	0	0	0	109.5	Y258	L256-Y258 VanDerWaalsContact CD1-O 3.27Å; L256-Y258 WeakPolarHBondContact CD1-O 3.35Å
257	L	77.8	Confident	76.1	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.257	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-29.5	-179.8	-63.4	-179.8	0	0	0	113.2	T255 L280 Q282 M287 C365	T255-L257 HydrophobicContact CG2-CD2 4.1Å; T255-L257 PolarHBondContact O-N 3.23Å; L257-L280 HydrophobicContact CB-CD2 4.46Å; L257-L280 HydrophobicContact CB-CG 4.43Å; L257-L280 PolarHBondContact N-O 2.92Å; L257-Q282 HydrophobicContact CD1-CB 3.7Å; L257-Q282 HydrophobicContact CG-CB 4.06Å; L257-M287 HydrophobicContact CD1-CE 3.8Å; L257-C365 PolarHBondContact O-SG 2.97Å
258	Y	86.1	Confident	76.6	Confident	10 Å²	10	68.1 Å²	68.1	4%	0.039	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	142.8	177.5	-178.9	-88.2	0	0	0	109.7	L256 K260 L278 S279 L280 F353 H358 Q361 F362 C365	L256-Y258 VanDerWaalsContact CD1-O 3.27Å; L256-Y258 WeakPolarHBondContact CD1-O 3.35Å; Y258-K260 HydrophobicContact CD1-CB 4.42Å; Y258-K260 HydrophobicContact CE1-CB 3.45Å; Y258-K260 VanDerWaalsContact CE1-CB 3.45Å; Y258-L278 HydrophobicContact CE1-CD2 4.45Å; Y258-S279 CarbonylContact O-C 3.54Å; Y258-S279 VanDerWaalsContact O-CA 3.31Å; Y258-S279 WeakPolarHBondContact O-CA 3.42Å; Y258-L280 PolarHBondContact N-O 2.86Å; Y258-L280 PolarHBondContact O-N 3.37Å; Y258-F353 AromaticContact CE1-CE1 3.97Å; Y258-F353 HydrophobicContact CE1-CE1 3.97Å; Y258-F353 AromaticContact CZ-CE1 3.95Å; Y258-F353 WeakPolarHBondContact OH-CD1 3.46Å; Y258-F353 VanDerWaalsContact OH-CE1 3.28Å; Y258-F353 WeakPolarHBondContact OH-CE1 3.41Å; Y258-H358 PolarHBondContact OH-O 3.34Å; Y258-Q361 HydrophobicContact CD2-CG 4.25Å; Y258-Q361 HydrophobicContact CE2-CB 4.02Å; Y258-Q361 HydrophobicContact CE2-CG 3.84Å; Y258-F362 AromaticContact CD1-CD2 3.89Å; Y258-F362 HydrophobicContact CD1-CD2 3.89Å; Y258-F362 HydrophobicContact CD2-CB 4.33Å; Y258-F362 HydrophobicContact CE1-CB 4.12Å; Y258-F362 HydrophobicContact CE1-CD2 4.02Å; Y258-F362 VanDerWaalsContact CE2-CA 3.5Å; Y258-F362 HydrophobicContact CE2-CB 3.84Å; Y258-F362 HydrophobicContact CG-CD2 4.23Å; Y258-C365 HydrophobicContact CD2-CB 4.26Å; Y258-C365 HydrophobicContact CG-CB 4.48Å
259	G	83.6	Confident	77	Confident	37 Å²	37	73 Å²	73	38%	0.381	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	127.9	173.6	0	0	0	0	0	110.8	L278	G259-L278 CarbonylContact C-O 3.6Å; G259-L278 WeakPolarHBondContact CA-O 3.3Å
260	K	83.9	Confident	77.3	Confident	48 Å²	48	78.3 Å²	78.3	21%	0.209	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	120.3	-178.9	-176.7	66.7	-167.1	-178.1	0	111.7	Y258 V263 L278 P354 H358	Y258-K260 HydrophobicContact CD1-CB 4.42Å; Y258-K260 HydrophobicContact CE1-CB 3.45Å; Y258-K260 VanDerWaalsContact CE1-CB 3.45Å; K260-V263 HydrophobicContact CB-CG2 4.04Å; K260-V263 HydrophobicContact CG-CG2 3.76Å; K260-L278 PolarHBondContact N-O 2.64Å; K260-L278 PolarHBondContact O-N 3Å; K260-P354 VanDerWaalsContact CE-CG 3.43Å; K260-H358 PolarHBondContact NZ-CD2 3Å; K260-H358 VanDerWaalsContact NZ-CD2 3.27Å; K260-H358 PolarHBondContact NZ-CE1 2.71Å; K260-H358 PolarHBondContact NZ-NE2 2.99Å
261	N	84.4	Confident	77.9	Confident	66 Å²	66	74.5 Å²	74.5	35%	0.353	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	153	171.5	-159.6	-29.8	0	0	0	111	Y277 N294	N261-Y277 HydrophobicContact CB-CD2 3.94Å; N261-N294 PolarHBondContact OD1-ND2 3.11Å; N261-N294 PolarHBondContact OD1-OD1 3.4Å; N261-N294 VanDerWaalsContact OD1-OD1 3.06Å
262	N	85.3	Confident	79	Confident	89 Å²	89	79.3 Å²	79.3	48%	0.476	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.4	39.3	-175.8	-56.1	-47.3	0	0	0	113.2	G276 N294 P354	N262-G276 PolarHBondContact N-O 3.47Å; N262-N294 PolarHBondContact OD1-ND2 3.27Å; N262-P354 WeakPolarHBondContact O-CD 3.49Å
263	V	88.9	Confident	80.4	Confident	0 Å²	0	75 Å²	75	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.4	159.4	178.2	0	0	0	0	107	K260 G276 L278 W291 F351 F353	K260-V263 HydrophobicContact CB-CG2 4.04Å; K260-V263 HydrophobicContact CG-CG2 3.76Å; V263-G276 PolarHBondContact N-O 2.68Å; V263-G276 PolarHBondContact O-N 2.84Å; V263-L278 HydrophobicContact CB-CB 4.01Å; V263-L278 HydrophobicContact CG1-CB 4.36Å; V263-L278 HydrophobicContact CG1-CD2 4.35Å; V263-L278 HydrophobicContact CG2-CB 3.74Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; V263-W291 PolarHBondContact O-NE1 3.38Å; V263-F351 HydrophobicContact CG1-CB 4.02Å; V263-F351 HydrophobicContact CG1-CD1 4.3Å; V263-F353 HydrophobicContact CG2-CD1 3.92Å; V263-F353 HydrophobicContact CG2-CE1 4.1Å; V263-F353 HydrophobicContact CG2-CG 4.49Å
264	L	90.1	Very high	81.6	Confident	66 Å²	66	65.1 Å²	65.1	35%	0.346	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133	-178.3	-63.1	163.5	0	0	0	109.7	A273 V274 P275 R352	L264-A273 HydrophobicContact CB-CB 4.18Å; L264-V274 WeakPolarHBondContact CA-O 3.33Å; L264-P275 HydrophobicContact CD2-CB 3.85Å; L264-R352 HydrophobicContact CB-CB 4.25Å; L264-R352 PolarHBondContact N-O 2.92Å; L264-R352 PolarHBondContact O-N 3.48Å
265	V	91.6	Very high	82.3	Confident	2 Å²	2	66 Å²	66	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.4	171.8	178.5	0	0	0	0	108.2	P267 A273 V274 W291 P349 F351	V265-P267 WeakPolarHBondContact O-CD 3.14Å; V265-A273 CarbonylContact O-C 3.59Å; V265-A273 WeakPolarHBondContact O-CA 3.4Å; V265-V274 PolarHBondContact N-O 3.42Å; V265-V274 PolarHBondContact O-N 3.45Å; V265-W291 HydrophobicContact CB-CD2 4.15Å; V265-W291 HydrophobicContact CB-CE3 4.31Å; V265-W291 HydrophobicContact CB-CH2 3.9Å; V265-W291 HydrophobicContact CB-CZ2 3.7Å; V265-W291 HydrophobicContact CB-CZ3 4.19Å; V265-W291 HydrophobicContact CG2-CD2 3.73Å; V265-W291 VanDerWaalsContact CG2-CE2 3.47Å; V265-W291 HydrophobicContact CG2-CE3 4.32Å; V265-W291 HydrophobicContact CG2-CG 4.02Å; V265-W291 HydrophobicContact CG2-CH2 4.47Å; V265-W291 HydrophobicContact CG2-CZ2 3.89Å; V265-P349 HydrophobicContact CG1-CB 3.68Å; V265-F351 HydrophobicContact CG2-CD1 3.34Å; V265-F351 HydrophobicContact CG2-CE1 3.65Å; V265-F351 HydrophobicContact CG2-CG 4.23Å
266	Q	86.8	Confident	82.7	Confident	45 Å²	45	61.9 Å²	61.9	21%	0.21	33%	0.326	C	S	.	.			trans	-104.1	106	176.2	-178	169.9	0.3	0	0	108.1	R268 D269 M271 A273	Q266-R268 VanDerWaalsContact C-N 3.35Å; Q266-R268 VanDerWaalsContact CG-O 3.25Å; Q266-R268 WeakPolarHBondContact CG-O 3.35Å; Q266-R268 PolarHBondContact NE2-O 3.49Å; Q266-D269 PolarHBondContact NE2-O 2.8Å; Q266-M271 WeakPolarHBondContact CG-O 3.38Å; Q266-M271 PolarHBondContact NE2-O 2.81Å; Q266-M271 VanDerWaalsContact NE2-O 3.07Å; Q266-A273 HydrophobicContact CB-CB 4.22Å
267	P	74.2	Confident	83	Confident	33 Å²	33	60 Å²	60	21%	0.214	31%	0.313	C	S	.	.	S	Bend	trans	-73.8	-25.2	-172.6	-18.7	33.3	0	0	0	114	V265 V274 Y314	V265-P267 WeakPolarHBondContact O-CD 3.14Å; P267-V274 HydrophobicContact CG-CG2 4.47Å; P267-Y314 HydrophobicContact CB-CD1 3.69Å; P267-Y314 HydrophobicContact CB-CD2 4.33Å; P267-Y314 HydrophobicContact CB-CE1 4.19Å; P267-Y314 HydrophobicContact CB-CG 3.81Å; P267-Y314 HydrophobicContact CG-CD1 4.12Å; P267-Y314 HydrophobicContact CG-CD2 3.85Å; P267-Y314 HydrophobicContact CG-CE2 4.42Å; P267-Y314 HydrophobicContact CG-CG 3.71Å
268	R	74.9	Confident	83.6	Confident	145 Å²	145	57.8 Å²	57.8	55%	0.547	30%	0.301	S	S	.	.	S	Bend	trans	-147.5	150.9	179	-58.8	-177.7	178.6	-175.4	-1.5	109.3	Q266 D270 M271	Q266-R268 VanDerWaalsContact C-N 3.35Å; Q266-R268 VanDerWaalsContact CG-O 3.25Å; Q266-R268 WeakPolarHBondContact CG-O 3.35Å; Q266-R268 PolarHBondContact NE2-O 3.49Å; R268-D270 WeakPolarHBondContact CB-OD1 3.33Å; R268-D270 PolarHBondContact O-N 3.47Å; R268-M271 HydrophobicContact CB-CG 4.24Å; R268-M271 PolarHBondContact O-N 2.9Å; R268-M271 VanDerWaalsContact O-N 3.12Å
269	D	71.8	Confident	83.8	Confident	161 Å²	161	57.3 Å²	57.3	86%	0.861	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.8	-174.3	-65.1	-46.9	0	0	0	113.9	Q266	Q266-D269 PolarHBondContact NE2-O 2.8Å
270	D	74.1	Confident	84	Confident	134 Å²	134	55.5 Å²	55.5	72%	0.717	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.7	175.9	67.5	-40.4	0	0	0	114	R268	R268-D270 WeakPolarHBondContact CB-OD1 3.33Å; R268-D270 PolarHBondContact O-N 3.47Å
271	M	75.1	Confident	84.1	Confident	57 Å²	57	53.6 Å²	53.6	28%	0.281	27%	0.273	S	S	.	.	S	Bend	trans	-102	149.2	-176.2	-66.2	-167.4	74.2	0	0	113.5	Q266 R268 Y314	Q266-M271 WeakPolarHBondContact CG-O 3.38Å; Q266-M271 PolarHBondContact NE2-O 2.81Å; Q266-M271 VanDerWaalsContact NE2-O 3.07Å; R268-M271 HydrophobicContact CB-CG 4.24Å; R268-M271 PolarHBondContact O-N 2.9Å; R268-M271 VanDerWaalsContact O-N 3.12Å; M271-Y314 HydrophobicContact CE-CE2 4.06Å; M271-Y314 HydrophobicContact SD-CE2 4.27Å; M271-Y314 PolarHBondContact SD-OH 3.31Å; M271-Y314 VanDerWaalsContact SD-OH 3.39Å
272	E	80.3	Confident	84	Confident	180 Å²	180	53.4 Å²	53.4	84%	0.841	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.1	150.7	167.8	-65.4	-167.2	156.4	0	0	111.8	V274	E272-V274 PolarHBondContact O-N 3.48Å
273	A	86.3	Confident	83.7	Confident	36 Å²	36	51.4 Å²	51.4	30%	0.298	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-69.2	117.3	-180	0	0	0	0	0	111.7	L264 V265 Q266	L264-A273 HydrophobicContact CB-CB 4.18Å; V265-A273 CarbonylContact O-C 3.59Å; V265-A273 WeakPolarHBondContact O-CA 3.4Å; Q266-A273 HydrophobicContact CB-CB 4.22Å
274	V	87.8	Confident	82.9	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.7	-175.1	-179.5	0	0	0	0	110.2	L264 V265 P267 E272 W291 P293	L264-V274 WeakPolarHBondContact CA-O 3.33Å; V265-V274 PolarHBondContact N-O 3.42Å; V265-V274 PolarHBondContact O-N 3.45Å; P267-V274 HydrophobicContact CG-CG2 4.47Å; E272-V274 PolarHBondContact O-N 3.48Å; V274-W291 HydrophobicContact CB-CH2 4.16Å; V274-W291 HydrophobicContact CG1-CH2 4.19Å; V274-W291 WeakPolarHBondContact O-CZ2 3.48Å; V274-P293 HydrophobicContact CG1-CB 4.06Å
275	P	86.3	Confident	81.9	Confident	41 Å²	41	59.5 Å²	59.5	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.2	173.4	30.9	-33.4	0	0	0	111.6	L264 N294	L264-P275 HydrophobicContact CD2-CB 3.85Å; P275-N294 WeakPolarHBondContact O-CB 3.31Å; P275-N294 PolarHBondContact O-N 2.97Å
276	G	86.9	Confident	81.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	176.2	176.7	0	0	0	0	0	114.2	N262 V263 T292 N294	N262-G276 PolarHBondContact N-O 3.47Å; V263-G276 PolarHBondContact N-O 2.68Å; V263-G276 PolarHBondContact O-N 2.84Å; G276-T292 CarbonylContact C-O 3.53Å; G276-T292 WeakPolarHBondContact CA-O 3.29Å; G276-N294 WeakPolarHBondContact CA-OD1 3.21Å
277	Y	87.7	Confident	81.4	Confident	50 Å²	50	60.3 Å²	60.3	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.9	173.2	-174.8	-112.5	0	0	0	109.8	H249 N261 W291 T292 N294	H249-Y277 AromaticContact CD2-CD1 3.67Å; H249-Y277 AromaticContact CD2-CE1 3.7Å; H249-Y277 AromaticContact NE2-CD1 3.74Å; N261-Y277 HydrophobicContact CB-CD2 3.94Å; Y277-W291 WeakPolarHBondContact O-CA 3.42Å; Y277-T292 PolarHBondContact N-O 3.48Å; Y277-T292 PolarHBondContact O-N 3.13Å; Y277-T292 VanDerWaalsContact O-N 3.09Å; Y277-N294 PolarHBondContact N-OD1 2.95Å
278	L	90.3	Very high	82.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.2	170.4	-169.9	72.6	0	0	0	109.3	Y258 G259 K260 V263 L289 K290 W291 F351 F353 F362	Y258-L278 HydrophobicContact CE1-CD2 4.45Å; G259-L278 CarbonylContact C-O 3.6Å; G259-L278 WeakPolarHBondContact CA-O 3.3Å; K260-L278 PolarHBondContact N-O 2.64Å; K260-L278 PolarHBondContact O-N 3Å; V263-L278 HydrophobicContact CB-CB 4.01Å; V263-L278 HydrophobicContact CG1-CB 4.36Å; V263-L278 HydrophobicContact CG1-CD2 4.35Å; V263-L278 HydrophobicContact CG2-CB 3.74Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; L278-L289 HydrophobicContact CD1-CD1 3.8Å; L278-L289 HydrophobicContact CD1-CD2 4.14Å; L278-L289 HydrophobicContact CD1-CG 3.91Å; L278-L289 HydrophobicContact CD2-CD1 4.28Å; L278-L289 HydrophobicContact CG-CD1 3.95Å; L278-K290 CarbonylContact C-O 3.14Å; L278-K290 WeakPolarHBondContact CA-O 3.21Å; L278-W291 HydrophobicContact CD1-CB 3.87Å; L278-W291 HydrophobicContact CD1-CG 4.31Å; L278-F351 HydrophobicContact CD1-CD1 3.74Å; L278-F351 HydrophobicContact CD1-CE1 3.78Å; L278-F353 HydrophobicContact CD2-CE1 3.65Å; L278-F353 HydrophobicContact CD2-CE2 4.39Å; L278-F353 HydrophobicContact CD2-CZ 3.39Å; L278-F362 HydrophobicContact CD2-CD2 4.33Å; L278-F362 HydrophobicContact CD2-CE2 4.31Å
279	S	89.4	Confident	83	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.8	176.4	61.5	0	0	0	0	112.7	H249 Y258 H281 L289 K290	H249-S279 PolarHBondContact CD2-OG 3.14Å; H249-S279 PolarHBondContact NE2-OG 2.95Å; Y258-S279 CarbonylContact O-C 3.54Å; Y258-S279 VanDerWaalsContact O-CA 3.31Å; Y258-S279 WeakPolarHBondContact O-CA 3.42Å; S279-H281 WeakPolarHBondContact CB-NE2 3.36Å; S279-H281 PolarHBondContact OG-NE2 3.25Å; S279-L289 CarbonylContact O-C 3.22Å; S279-L289 WeakPolarHBondContact O-CA 3.19Å; S279-K290 PolarHBondContact N-O 3.06Å; S279-K290 PolarHBondContact O-N 3.46Å
280	L	88.4	Confident	84	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-177.2	-175.6	63.4	0	0	0	108.6	L257 Y258 M287 T288 L289 L320 F362 C365 L366	L257-L280 HydrophobicContact CB-CD2 4.46Å; L257-L280 HydrophobicContact CB-CG 4.43Å; L257-L280 PolarHBondContact N-O 2.92Å; Y258-L280 PolarHBondContact N-O 2.86Å; Y258-L280 PolarHBondContact O-N 3.37Å; L280-M287 HydrophobicContact CD1-CE 3.79Å; L280-M287 HydrophobicContact CD1-CG 4.25Å; L280-M287 HydrophobicContact CD2-CE 3.61Å; L280-M287 HydrophobicContact CG-CE 3.78Å; L280-T288 WeakPolarHBondContact CA-O 3.45Å; L280-L289 HydrophobicContact CB-CD1 4.26Å; L280-L289 HydrophobicContact CD1-CB 4.32Å; L280-L289 HydrophobicContact CD1-CD1 4.01Å; L280-L320 HydrophobicContact CD1-CD2 3.88Å; L280-F362 HydrophobicContact CD2-CE2 4.19Å; L280-C365 HydrophobicContact CD2-CB 4.33Å; L280-L366 HydrophobicContact CD2-CB 4.39Å
281	H	86.4	Confident	84.8	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.8	-172.8	-58.1	-100.4	0	0	0	110.9	H249 A254 T255 S279 M287 T288	H249-H281 PolarHBondContact O-CE1 3.13Å; A254-H281 HydrophobicContact CB-CB 4.35Å; T255-H281 CarbonylContact O-C 3.47Å; T255-H281 WeakPolarHBondContact O-CA 3.32Å; S279-H281 WeakPolarHBondContact CB-NE2 3.36Å; S279-H281 PolarHBondContact OG-NE2 3.25Å; H281-M287 CarbonylContact O-C 3.59Å; H281-M287 WeakPolarHBondContact O-CA 3.39Å; H281-T288 PolarHBondContact N-O 3Å; H281-T288 PolarHBondContact O-N 3.13Å
282	Q	82.3	Confident	85.5	Confident	61 Å²	61	39 Å²	39	29%	0.285	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.7	173.7	176.4	169.1	42.3	0	0	109.5	T255 L257 G369	T255-Q282 PolarHBondContact N-O 3.46Å; T255-Q282 PolarHBondContact O-N 2.64Å; L257-Q282 HydrophobicContact CD1-CB 3.7Å; L257-Q282 HydrophobicContact CG-CB 4.06Å; Q282-G369 PolarHBondContact NE2-O 2.96Å
283	T	78.5	Confident	85.7	Confident	48 Å²	48	30.4 Å²	30.4	29%	0.294	18%	0.179	S	C	.	.			trans	-85	-172.5	161.6	49.2	0	0	0	0	109.1	A254 D285 V286	A254-T283 HydrophobicContact CB-CG2 3.77Å; T283-D285 VanDerWaalsContact C-N 3.28Å; T283-D285 PolarHBondContact O-N 3.45Å; T283-V286 PolarHBondContact N-O 3.46Å; T283-V286 PolarHBondContact OG1-N 2.92Å; T283-V286 PolarHBondContact OG1-O 3.3Å
284	A	71.9	Confident	85.5	Confident	87 Å²	87	29.2 Å²	29.2	72%	0.719	17%	0.168	S	C	*	.	S	Bend	trans	-60.2	-39.6	179.5	0	0	0	0	0	112.5
285	D	68.6	Low	85.1	Confident	149 Å²	149	31.3 Å²	31.3	80%	0.797	18%	0.177	S	C	*	.	S	Bend	trans	-118.9	-15.2	-166.5	-35.9	-78.2	0	0	0	113.8	T283	T283-D285 VanDerWaalsContact C-N 3.28Å; T283-D285 PolarHBondContact O-N 3.45Å
286	V	81.2	Confident	84.3	Confident	48 Å²	48	29.3 Å²	29.3	29%	0.291	16%	0.164	S	C	.	.			trans	-136.2	146.3	-172.5	-174.5	0	0	0	0	111.8	T283 T288	T283-V286 PolarHBondContact N-O 3.46Å; T283-V286 PolarHBondContact OG1-N 2.92Å; T283-V286 PolarHBondContact OG1-O 3.3Å; V286-T288 HydrophobicContact CG1-CG2 3.99Å
287	M	87.2	Confident	83.4	Confident	15 Å²	15	30.8 Å²	30.8	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.1	174.4	-170.6	167.9	-179.6	0	0	110	L257 L280 H281 L320 L366 L370	L257-M287 HydrophobicContact CD1-CE 3.8Å; L280-M287 HydrophobicContact CD1-CE 3.79Å; L280-M287 HydrophobicContact CD1-CG 4.25Å; L280-M287 HydrophobicContact CD2-CE 3.61Å; L280-M287 HydrophobicContact CG-CE 3.78Å; H281-M287 CarbonylContact O-C 3.59Å; H281-M287 WeakPolarHBondContact O-CA 3.39Å; M287-L320 HydrophobicContact CB-CB 4.23Å; M287-L320 HydrophobicContact CG-CB 4.38Å; M287-L320 HydrophobicContact CG-CD2 4.24Å; M287-L320 HydrophobicContact CG-CG 4.2Å; M287-L320 PolarHBondContact O-N 3.4Å; M287-L366 HydrophobicContact CE-CD1 3.65Å; M287-L366 HydrophobicContact SD-CD1 4.3Å; M287-L370 HydrophobicContact SD-CD2 4.24Å; M287-L370 HydrophobicContact SD-CG 4.32Å
288	T	91.1	Very high	82.2	Confident	29 Å²	29	33.1 Å²	33.1	18%	0.178	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.5	-173.9	61.7	0	0	0	0	112.5	L280 H281 V286 I318 R319	L280-T288 WeakPolarHBondContact CA-O 3.45Å; H281-T288 PolarHBondContact N-O 3Å; H281-T288 PolarHBondContact O-N 3.13Å; V286-T288 HydrophobicContact CG1-CG2 3.99Å; T288-I318 CarbonylContact C-O 3.54Å; T288-I318 WeakPolarHBondContact CA-O 3.29Å; T288-R319 HydrophobicContact CG2-CG 4.28Å
289	L	92.4	Very high	80.7	Confident	3 Å²	3	35 Å²	35	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.7	170.6	-173	72.3	0	0	0	108.7	L278 S279 L280 T317 I318 L320 L340 F351 F362	L278-L289 HydrophobicContact CD1-CD1 3.8Å; L278-L289 HydrophobicContact CD1-CD2 4.14Å; L278-L289 HydrophobicContact CD1-CG 3.91Å; L278-L289 HydrophobicContact CD2-CD1 4.28Å; L278-L289 HydrophobicContact CG-CD1 3.95Å; S279-L289 CarbonylContact O-C 3.22Å; S279-L289 WeakPolarHBondContact O-CA 3.19Å; L280-L289 HydrophobicContact CB-CD1 4.26Å; L280-L289 HydrophobicContact CD1-CB 4.32Å; L280-L289 HydrophobicContact CD1-CD1 4.01Å; L289-T317 WeakPolarHBondContact O-CA 3.26Å; L289-I318 HydrophobicContact CB-CB 4.44Å; L289-I318 PolarHBondContact N-O 2.87Å; L289-I318 PolarHBondContact O-N 3.42Å; L289-L320 HydrophobicContact CB-CD2 3.87Å; L289-L340 HydrophobicContact CD2-CD1 3.65Å; L289-F351 HydrophobicContact CD2-CE2 4.35Å; L289-F351 HydrophobicContact CD2-CZ 4.37Å; L289-F362 HydrophobicContact CD1-CE2 3.62Å; L289-F362 HydrophobicContact CD1-CZ 4.02Å; L289-F362 HydrophobicContact CD2-CZ 4.35Å
290	K	91.2	Very high	78.6	Confident	40 Å²	40	40.2 Å²	40.2	17%	0.174	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	173.5	-59.1	-167.5	177.5	-170.6	0	110.7	L248 L278 S279 M316 T317	L248-K290 PolarHBondContact O-NZ 3.44Å; L278-K290 CarbonylContact C-O 3.14Å; L278-K290 WeakPolarHBondContact CA-O 3.21Å; S279-K290 PolarHBondContact N-O 3.06Å; S279-K290 PolarHBondContact O-N 3.46Å; K290-M316 CarbonylContact C-O 3.59Å; K290-M316 VanDerWaalsContact CA-O 3.3Å; K290-M316 WeakPolarHBondContact CA-O 3.37Å; K290-T317 HydrophobicContact CG-CG2 4.16Å
291	W	92.4	Very high	76.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.6	168.6	-176.4	86.3	0	0	0	110.1	V263 V265 V274 Y277 L278 P293 Y314 M316 F351	V263-W291 PolarHBondContact O-NE1 3.38Å; V265-W291 HydrophobicContact CB-CD2 4.15Å; V265-W291 HydrophobicContact CB-CE3 4.31Å; V265-W291 HydrophobicContact CB-CH2 3.9Å; V265-W291 HydrophobicContact CB-CZ2 3.7Å; V265-W291 HydrophobicContact CB-CZ3 4.19Å; V265-W291 HydrophobicContact CG2-CD2 3.73Å; V265-W291 VanDerWaalsContact CG2-CE2 3.47Å; V265-W291 HydrophobicContact CG2-CE3 4.32Å; V265-W291 HydrophobicContact CG2-CG 4.02Å; V265-W291 HydrophobicContact CG2-CH2 4.47Å; V265-W291 HydrophobicContact CG2-CZ2 3.89Å; V274-W291 HydrophobicContact CB-CH2 4.16Å; V274-W291 HydrophobicContact CG1-CH2 4.19Å; V274-W291 WeakPolarHBondContact O-CZ2 3.48Å; Y277-W291 WeakPolarHBondContact O-CA 3.42Å; L278-W291 HydrophobicContact CD1-CB 3.87Å; L278-W291 HydrophobicContact CD1-CG 4.31Å; W291-P293 HydrophobicContact CH2-CB 4.39Å; W291-P293 HydrophobicContact CH2-CG 3.78Å; W291-P293 HydrophobicContact CZ3-CG 3.66Å; W291-Y314 VanDerWaalsContact CZ3-O 3.29Å; W291-Y314 WeakPolarHBondContact CZ3-O 3.37Å; W291-M316 HydrophobicContact CB-CB 4.36Å; W291-M316 HydrophobicContact CE3-CG 4.49Å; W291-M316 PolarHBondContact N-O 3.49Å; W291-M316 PolarHBondContact O-N 3.08Å; W291-F351 HydrophobicContact CB-CE1 3.82Å; W291-F351 HydrophobicContact CG-CD1 4.47Å; W291-F351 HydrophobicContact CG-CE1 4.02Å
292	T	88.6	Confident	75	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	131	-178.8	-55.8	0	0	0	0	110.8	V245 H249 G276 Y277 L296 A315	V245-T292 HydrophobicContact CG1-CG2 3.94Å; H249-T292 PolarHBondContact CE1-OG1 3.32Å; G276-T292 CarbonylContact C-O 3.53Å; G276-T292 WeakPolarHBondContact CA-O 3.29Å; Y277-T292 PolarHBondContact N-O 3.48Å; Y277-T292 PolarHBondContact O-N 3.13Å; Y277-T292 VanDerWaalsContact O-N 3.09Å; T292-L296 HydrophobicContact CG2-CB 3.99Å; T292-L296 HydrophobicContact CG2-CD1 3.96Å; T292-A315 HydrophobicContact CG2-CB 4.43Å
293	P	86	Confident	73.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	139.9	177.4	-29	35.4	0	0	0	113.7	V274 W291 Q295 L296 M297 Y311	V274-P293 HydrophobicContact CG1-CB 4.06Å; W291-P293 HydrophobicContact CH2-CB 4.39Å; W291-P293 HydrophobicContact CH2-CG 3.78Å; W291-P293 HydrophobicContact CZ3-CG 3.66Å; P293-Q295 PolarHBondContact O-N 3.42Å; P293-Q295 VanDerWaalsContact O-N 3.16Å; P293-L296 WeakPolarHBondContact O-CB 3.46Å; P293-L296 PolarHBondContact O-N 3.42Å; P293-M297 PolarHBondContact O-N 2.91Å; P293-Y311 HydrophobicContact CB-CD1 4.5Å
294	N	81.9	Confident	71.9	Confident	10 Å²	10	56 Å²	56	5%	0.053	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-20.5	179.6	-78.4	-14.9	0	0	0	113.3	N261 N262 P275 G276 Y277 L296 M297 N298	N261-N294 PolarHBondContact OD1-ND2 3.11Å; N261-N294 PolarHBondContact OD1-OD1 3.4Å; N261-N294 VanDerWaalsContact OD1-OD1 3.06Å; N262-N294 PolarHBondContact OD1-ND2 3.27Å; P275-N294 WeakPolarHBondContact O-CB 3.31Å; P275-N294 PolarHBondContact O-N 2.97Å; G276-N294 WeakPolarHBondContact CA-OD1 3.21Å; Y277-N294 PolarHBondContact N-OD1 2.95Å; N294-L296 PolarHBondContact O-N 3.04Å; N294-M297 PolarHBondContact O-N 3.31Å; N294-N298 VanDerWaalsContact O-CB 3.3Å; N294-N298 WeakPolarHBondContact O-CB 3.4Å; N294-N298 PolarHBondContact O-N 3.08Å; N294-N298 PolarHBondContact O-ND2 3.17Å
295	Q	78.5	Confident	70.9	Confident	56 Å²	56	56.8 Å²	56.8	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-37	171	-67.5	82.8	-12.3	0	0	111.6	P293 Y306 Y311	P293-Q295 PolarHBondContact O-N 3.42Å; P293-Q295 VanDerWaalsContact O-N 3.16Å; Q295-Y306 PolarHBondContact O-OH 3.46Å; Q295-Y311 HydrophobicContact CB-CD2 3.52Å; Q295-Y311 HydrophobicContact CB-CE2 3.71Å; Q295-Y311 HydrophobicContact CB-CG 4.01Å; Q295-Y311 HydrophobicContact CG-CD2 3.95Å; Q295-Y311 HydrophobicContact CG-CE1 4.27Å; Q295-Y311 HydrophobicContact CG-CE2 3.61Å; Q295-Y311 HydrophobicContact CG-CG 4.43Å
296	L	70.3	Confident	70.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-81.3	-24.7	175.3	-62.8	-177.3	0	0	0	113.4	V245 T292 P293 N294 Y306 W312	V245-L296 HydrophobicContact CG2-CB 4.09Å; T292-L296 HydrophobicContact CG2-CB 3.99Å; T292-L296 HydrophobicContact CG2-CD1 3.96Å; P293-L296 WeakPolarHBondContact O-CB 3.46Å; P293-L296 PolarHBondContact O-N 3.42Å; N294-L296 PolarHBondContact O-N 3.04Å; L296-Y306 VanDerWaalsContact C-OH 3.23Å; L296-Y306 WeakPolarHBondContact CA-OH 3.3Å; L296-Y306 HydrophobicContact CD2-CD1 4.39Å; L296-Y306 HydrophobicContact CD2-CE1 3.86Å; L296-Y306 PolarHBondContact O-OH 3.42Å; L296-Y306 VanDerWaalsContact O-OH 3.04Å; L296-W312 HydrophobicContact CD1-CD2 3.68Å; L296-W312 HydrophobicContact CD1-CE3 3.76Å; L296-W312 HydrophobicContact CD1-CG 4.09Å; L296-W312 HydrophobicContact CD1-CZ3 4.23Å; L296-W312 HydrophobicContact CD2-CD2 4.17Å; L296-W312 HydrophobicContact CD2-CG 4.28Å; L296-W312 HydrophobicContact CD2-CZ2 4.37Å
297	M	67.1	Low	68.8	Low	30 Å²	30	56.2 Å²	56.2	15%	0.148	32%	0.323	C	S	.	.	H	α-helix	trans	-76.4	-35.2	175.1	-62.6	-62.4	-45.5	0	0	112.9	R242 V245 E246 P293 N294	R242-M297 WeakPolarHBondContact CD-O 3.47Å; R242-M297 WeakPolarHBondContact CG-O 3.21Å; V245-M297 HydrophobicContact CG1-CE 4.28Å; V245-M297 HydrophobicContact CG1-SD 3.35Å; V245-M297 WeakPolarHBondContact CG1-SD 3.21Å; E246-M297 HydrophobicContact CG-CE 4.43Å; P293-M297 PolarHBondContact O-N 2.91Å; N294-M297 PolarHBondContact O-N 3.31Å
298	N	63.7	Low	67.1	Low	100 Å²	100	63.7 Å²	63.7	54%	0.535	36%	0.355	S	S	.	.	S	Bend	trans	-94.1	-6.8	-162.7	-70.7	-18.7	0	0	0	115.1	N294 S300	N294-N298 VanDerWaalsContact O-CB 3.3Å; N294-N298 WeakPolarHBondContact O-CB 3.4Å; N294-N298 PolarHBondContact O-N 3.08Å; N294-N298 PolarHBondContact O-ND2 3.17Å; N298-S300 PolarHBondContact O-N 3.14Å; N298-S300 VanDerWaalsContact O-N 3.12Å
299	G	58	Low	66	Low	41 Å²	41	63.2 Å²	63.2	42%	0.423	35%	0.353	S	S	.	.			trans	59.9	22	176.7	0	0	0	0	0	115.5	Y306	G299-Y306 WeakPolarHBondContact CA-OH 3.39Å; G299-Y306 PolarHBondContact N-OH 2.99Å; G299-Y306 VanDerWaalsContact N-OH 3.15Å
300	S	45.3	Very low	65	Low	108 Å²	108	66.9 Å²	66.9	76%	0.755	38%	0.376	S	S	*	.			trans	-98.7	9.3	-166.9	-171.1	0	0	0	0	114.9	N298	N298-S300 PolarHBondContact O-N 3.14Å; N298-S300 VanDerWaalsContact O-N 3.12Å
301	V	48.6	Very low	64.3	Low	67 Å²	67	68.6 Å²	68.6	41%	0.406	38%	0.381	S	S	.	.	S	Bend	trans	-104.8	142.4	172.7	-174.1	0	0	0	0	107.2	Y306	V301-Y306 HydrophobicContact CB-CD2 3.84Å; V301-Y306 HydrophobicContact CB-CE2 3.99Å; V301-Y306 HydrophobicContact CG2-CE2 4.43Å; V301-Y306 WeakPolarHBondContact O-CD2 3.34Å
302	G	50	Low	63.7	Low	55 Å²	55	71.4 Å²	71.4	57%	0.567	39%	0.392	S	S	*	.			trans	-58.1	144	-170.3	0	0	0	0	0	114.3	L304 D305	G302-L304 PolarHBondContact O-N 3.41Å; G302-D305 PolarHBondContact O-N 2.92Å
303	D	49.2	Very low	63.2	Low	163 Å²	163	76.9 Å²	76.9	87%	0.872	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-0.9	-170	-94.5	-26.1	0	0	0	117.6
304	L	46.6	Very low	63	Low	164 Å²	164	78.2 Å²	78.2	86%	0.859	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-15.9	-171.5	-65.8	171.8	0	0	0	114.9	G302	G302-L304 PolarHBondContact O-N 3.41Å
305	D	50.2	Low	63.2	Low	104 Å²	104	79.5 Å²	79.5	56%	0.556	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	2	-178.2	-74.1	-56	0	0	0	113.9	G302 E307 K308 S309	G302-D305 PolarHBondContact O-N 2.92Å; D305-E307 PolarHBondContact O-N 2.85Å; D305-K308 CarbonylContact O-C 3.59Å; D305-K308 PolarHBondContact O-N 3.43Å; D305-S309 PolarHBondContact O-N 3.4Å
306	Y	54	Low	63.5	Low	16 Å²	16	78.6 Å²	78.6	6%	0.063	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-66.6	-33.2	-172	-147.3	-78	0	0	0	113.9	A241 Q295 L296 G299 V301 K308 S309 W312	A241-Y306 HydrophobicContact CB-CD1 3.24Å; A241-Y306 HydrophobicContact CB-CE1 3.58Å; A241-Y306 HydrophobicContact CB-CG 4.14Å; Q295-Y306 PolarHBondContact O-OH 3.46Å; L296-Y306 VanDerWaalsContact C-OH 3.23Å; L296-Y306 WeakPolarHBondContact CA-OH 3.3Å; L296-Y306 HydrophobicContact CD2-CD1 4.39Å; L296-Y306 HydrophobicContact CD2-CE1 3.86Å; L296-Y306 PolarHBondContact O-OH 3.42Å; L296-Y306 VanDerWaalsContact O-OH 3.04Å; G299-Y306 WeakPolarHBondContact CA-OH 3.39Å; G299-Y306 PolarHBondContact N-OH 2.99Å; G299-Y306 VanDerWaalsContact N-OH 3.15Å; V301-Y306 HydrophobicContact CB-CD2 3.84Å; V301-Y306 HydrophobicContact CB-CE2 3.99Å; V301-Y306 HydrophobicContact CG2-CE2 4.43Å; V301-Y306 WeakPolarHBondContact O-CD2 3.34Å; Y306-K308 PolarHBondContact O-N 3.49Å; Y306-S309 VanDerWaalsContact O-CB 3.29Å; Y306-S309 WeakPolarHBondContact O-CB 3.31Å; Y306-S309 PolarHBondContact O-N 2.9Å; Y306-W312 PolarHBondContact O-NE1 3.37Å
307	E	52.3	Low	64.4	Low	169 Å²	169	83 Å²	83	79%	0.79	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-72.8	-15.7	174.3	-64.3	-170.9	145.3	0	0	113	D305	D305-E307 PolarHBondContact O-N 2.85Å
308	K	51.7	Low	65.5	Low	171 Å²	171	81.9 Å²	81.9	74%	0.743	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-102.9	14	174.8	-63.7	178.4	-177.6	168.9	0	112.6	D305 Y306 V310	D305-K308 CarbonylContact O-C 3.59Å; D305-K308 PolarHBondContact O-N 3.43Å; Y306-K308 PolarHBondContact O-N 3.49Å; K308-V310 PolarHBondContact O-N 3.23Å
309	S	68.1	Low	66.7	Low	20 Å²	20	82.8 Å²	82.8	14%	0.14	45%	0.452	C	S	.	.			trans	-74.1	118.3	-174.1	-161.2	0	0	0	0	111.4	D305 Y306 Y311 W312	D305-S309 PolarHBondContact O-N 3.4Å; Y306-S309 VanDerWaalsContact O-CB 3.29Å; Y306-S309 WeakPolarHBondContact O-CB 3.31Å; Y306-S309 PolarHBondContact O-N 2.9Å; S309-Y311 PolarHBondContact O-N 3.11Å; S309-Y311 VanDerWaalsContact OG-CD2 3.31Å; S309-Y311 WeakPolarHBondContact OG-CD2 3.38Å; S309-W312 WeakPolarHBondContact O-CB 3.34Å; S309-W312 VanDerWaalsContact O-CD1 3.25Å; S309-W312 PolarHBondContact O-N 3.08Å
310	V	71.3	Confident	68.2	Low	79 Å²	79	80.9 Å²	80.9	48%	0.479	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-54.4	-18.5	177.6	-167.9	0	0	0	0	113	K308 W312 D313 Y314	K308-V310 PolarHBondContact O-N 3.23Å; V310-W312 PolarHBondContact O-N 3.42Å; V310-D313 WeakPolarHBondContact O-CB 3.1Å; V310-D313 PolarHBondContact O-N 2.94Å; V310-D313 VanDerWaalsContact O-N 3.13Å; V310-Y314 HydrophobicContact CG1-CE1 4.3Å; V310-Y314 WeakPolarHBondContact CG1-OH 3.43Å
311	Y	76.2	Confident	70.2	Confident	76 Å²	76	78.9 Å²	78.9	30%	0.298	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.3	171.3	-61.7	-55.6	0	0	0	114	P293 Q295 S309 Y314	P293-Y311 HydrophobicContact CB-CD1 4.5Å; Q295-Y311 HydrophobicContact CB-CD2 3.52Å; Q295-Y311 HydrophobicContact CB-CE2 3.71Å; Q295-Y311 HydrophobicContact CB-CG 4.01Å; Q295-Y311 HydrophobicContact CG-CD2 3.95Å; Q295-Y311 HydrophobicContact CG-CE1 4.27Å; Q295-Y311 HydrophobicContact CG-CE2 3.61Å; Q295-Y311 HydrophobicContact CG-CG 4.43Å; S309-Y311 PolarHBondContact O-N 3.11Å; S309-Y311 VanDerWaalsContact OG-CD2 3.31Å; S309-Y311 WeakPolarHBondContact OG-CD2 3.38Å; Y311-Y314 AromaticContact CD1-CD2 3.91Å; Y311-Y314 HydrophobicContact CD1-CD2 3.91Å; Y311-Y314 AromaticContact CD1-CE2 3.95Å; Y311-Y314 HydrophobicContact CD1-CE2 3.95Å; Y311-Y314 HydrophobicContact CE1-CE2 4.39Å; Y311-Y314 PolarHBondContact O-N 3.24Å
312	W	80.1	Confident	72.1	Confident	61 Å²	61	78.2 Å²	78.2	23%	0.231	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-65.9	-37.8	172.2	-77.2	113.9	0	0	0	112.3	A241 Y244 V245 L248 L296 Y306 S309 V310 Y314 A315	A241-W312 HydrophobicContact CB-CZ2 4.4Å; Y244-W312 AromaticContact CD1-CH2 3.68Å; Y244-W312 HydrophobicContact CD1-CH2 3.68Å; Y244-W312 HydrophobicContact CD1-CZ2 4.27Å; Y244-W312 AromaticContact CE1-CH2 3.91Å; Y244-W312 HydrophobicContact CE1-CH2 3.91Å; Y244-W312 HydrophobicContact CE1-CZ3 4.35Å; V245-W312 HydrophobicContact CG2-CH2 3.28Å; V245-W312 HydrophobicContact CG2-CZ2 3.83Å; V245-W312 HydrophobicContact CG2-CZ3 4.02Å; L248-W312 HydrophobicContact CD1-CZ3 4.24Å; L296-W312 HydrophobicContact CD1-CD2 3.68Å; L296-W312 HydrophobicContact CD1-CE3 3.76Å; L296-W312 HydrophobicContact CD1-CG 4.09Å; L296-W312 HydrophobicContact CD1-CZ3 4.23Å; L296-W312 HydrophobicContact CD2-CD2 4.17Å; L296-W312 HydrophobicContact CD2-CG 4.28Å; L296-W312 HydrophobicContact CD2-CZ2 4.37Å; Y306-W312 PolarHBondContact O-NE1 3.37Å; S309-W312 WeakPolarHBondContact O-CB 3.34Å; S309-W312 VanDerWaalsContact O-CD1 3.25Å; S309-W312 PolarHBondContact O-N 3.08Å; V310-W312 PolarHBondContact O-N 3.42Å; W312-Y314 PolarHBondContact O-N 3.42Å; W312-Y314 VanDerWaalsContact O-N 3.11Å; W312-A315 WeakPolarHBondContact O-CB 3.32Å; W312-A315 PolarHBondContact O-N 3.27Å
313	D	78.4	Confident	74	Confident	125 Å²	125	75.7 Å²	75.7	67%	0.668	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-65.5	-15.3	177.5	-51.1	-35.4	0	0	0	112.4	V310	V310-D313 WeakPolarHBondContact O-CB 3.1Å; V310-D313 PolarHBondContact O-N 2.94Å; V310-D313 VanDerWaalsContact O-N 3.13Å
314	Y	82.6	Confident	75.9	Confident	27 Å²	27	69.5 Å²	69.5	11%	0.106	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-100.4	-3.4	177.5	-46.1	-27.1	0	0	0	113	P267 M271 W291 V310 Y311 W312 M316	P267-Y314 HydrophobicContact CB-CD1 3.69Å; P267-Y314 HydrophobicContact CB-CD2 4.33Å; P267-Y314 HydrophobicContact CB-CE1 4.19Å; P267-Y314 HydrophobicContact CB-CG 3.81Å; P267-Y314 HydrophobicContact CG-CD1 4.12Å; P267-Y314 HydrophobicContact CG-CD2 3.85Å; P267-Y314 HydrophobicContact CG-CE2 4.42Å; P267-Y314 HydrophobicContact CG-CG 3.71Å; M271-Y314 HydrophobicContact CE-CE2 4.06Å; M271-Y314 HydrophobicContact SD-CE2 4.27Å; M271-Y314 PolarHBondContact SD-OH 3.31Å; M271-Y314 VanDerWaalsContact SD-OH 3.39Å; W291-Y314 VanDerWaalsContact CZ3-O 3.29Å; W291-Y314 WeakPolarHBondContact CZ3-O 3.37Å; V310-Y314 HydrophobicContact CG1-CE1 4.3Å; V310-Y314 WeakPolarHBondContact CG1-OH 3.43Å; Y311-Y314 AromaticContact CD1-CD2 3.91Å; Y311-Y314 HydrophobicContact CD1-CD2 3.91Å; Y311-Y314 AromaticContact CD1-CE2 3.95Å; Y311-Y314 HydrophobicContact CD1-CE2 3.95Å; Y311-Y314 HydrophobicContact CE1-CE2 4.39Å; Y311-Y314 PolarHBondContact O-N 3.24Å; W312-Y314 PolarHBondContact O-N 3.42Å; W312-Y314 VanDerWaalsContact O-N 3.11Å; Y314-M316 PolarHBondContact O-N 3.32Å
315	A	84.6	Confident	78.1	Confident	37 Å²	37	66 Å²	66	31%	0.306	32%	0.321	S	S	.	.			trans	-75.3	120.6	178.1	0	0	0	0	0	110.3	T292 W312	T292-A315 HydrophobicContact CG2-CB 4.43Å; W312-A315 WeakPolarHBondContact O-CB 3.32Å; W312-A315 PolarHBondContact O-N 3.27Å
316	M	84.9	Confident	80.1	Confident	37 Å²	37	61.1 Å²	61.1	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.8	-174.4	-55.7	-173.1	80.8	0	0	111.6	K290 W291 Y314 I318 P349 F351	K290-M316 CarbonylContact C-O 3.59Å; K290-M316 VanDerWaalsContact CA-O 3.3Å; K290-M316 WeakPolarHBondContact CA-O 3.37Å; W291-M316 HydrophobicContact CB-CB 4.36Å; W291-M316 HydrophobicContact CE3-CG 4.49Å; W291-M316 PolarHBondContact N-O 3.49Å; W291-M316 PolarHBondContact O-N 3.08Å; Y314-M316 PolarHBondContact O-N 3.32Å; M316-I318 HydrophobicContact CE-CD1 3.98Å; M316-P349 HydrophobicContact CE-CG 4.46Å; M316-F351 HydrophobicContact SD-CE1 4.33Å; M316-F351 HydrophobicContact SD-CZ 3.98Å
317	T	89.4	Confident	81.9	Confident	93 Å²	93	63.8 Å²	63.8	57%	0.571	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.5	160.4	-66.3	0	0	0	0	107.9	L289 K290	L289-T317 WeakPolarHBondContact O-CA 3.26Å; K290-T317 HydrophobicContact CG-CG2 4.16Å
318	I	89.6	Confident	83.7	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.6	-174.3	-58.1	172	0	0	0	107.7	T288 L289 M316 I323 L340 R348 F351	T288-I318 CarbonylContact C-O 3.54Å; T288-I318 WeakPolarHBondContact CA-O 3.29Å; L289-I318 HydrophobicContact CB-CB 4.44Å; L289-I318 PolarHBondContact N-O 2.87Å; L289-I318 PolarHBondContact O-N 3.42Å; M316-I318 HydrophobicContact CE-CD1 3.98Å; I318-I323 HydrophobicContact CG2-CD1 3.83Å; I318-I323 HydrophobicContact CG2-CG1 3.82Å; I318-L340 HydrophobicContact CD1-CD1 4.05Å; I318-R348 HydrophobicContact CD1-CG 4.39Å; I318-F351 HydrophobicContact CD1-CE2 4.31Å; I318-F351 HydrophobicContact CD1-CZ 4.03Å
319	R	89	Confident	85.4	Confident	119 Å²	119	50.3 Å²	50.3	45%	0.449	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.9	173.3	-58	-177	-69.5	164.3	-10.4	108.7	T288 E321 E322	T288-R319 HydrophobicContact CG2-CG 4.28Å; R319-E321 HydrophobicContact CB-CG 3.85Å; R319-E321 WeakPolarHBondContact CD-OE1 3.5Å; R319-E321 IonicContact CZ-OE1 2.89Å; R319-E321 IonicContact NE-OE1 3.86Å; R319-E321 PolarHBondContact NE-OE1 3.1Å; R319-E321 IonicContact NH1-OE1 2.68Å; R319-E321 PolarHBondContact NH1-OE1 2.83Å; R319-E321 PolarHBondContact O-N 3.12Å; R319-E322 HydrophobicContact CB-CG 4.15Å; R319-E322 IonicContact CZ-OE1 3.63Å; R319-E322 IonicContact NE-OE1 3.93Å; R319-E322 PolarHBondContact NE-OE1 3.35Å; R319-E322 IonicContact NH2-OE1 2.8Å; R319-E322 PolarHBondContact NH2-OE1 2.81Å; R319-E322 WeakPolarHBondContact O-CB 3.42Å; R319-E322 PolarHBondContact O-N 2.82Å; R319-E322 VanDerWaalsContact O-N 3.07Å
320	L	90.4	Very high	85.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.7	-15.7	-176	-84.6	-60.6	0	0	0	113	L280 M287 L289 E322 I323 L366 I421 Y423	L280-L320 HydrophobicContact CD1-CD2 3.88Å; M287-L320 HydrophobicContact CB-CB 4.23Å; M287-L320 HydrophobicContact CG-CB 4.38Å; M287-L320 HydrophobicContact CG-CD2 4.24Å; M287-L320 HydrophobicContact CG-CG 4.2Å; M287-L320 PolarHBondContact O-N 3.4Å; L289-L320 HydrophobicContact CB-CD2 3.87Å; L320-E322 VanDerWaalsContact C-N 3.28Å; L320-I323 PolarHBondContact O-N 3.42Å; L320-L366 HydrophobicContact CD1-CD1 3.84Å; L320-L366 HydrophobicContact CG-CD1 4.01Å; L320-I421 HydrophobicContact CD1-CD1 4.11Å; L320-Y423 PolarHBondContact O-OH 3.02Å
321	E	87.1	Confident	85.6	Confident	67 Å²	67	51.4 Å²	51.4	31%	0.313	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.1	-30.6	170	67.9	-158	-179.2	0	0	112.5	R319 I323 Q343 Y423	R319-E321 HydrophobicContact CB-CG 3.85Å; R319-E321 WeakPolarHBondContact CD-OE1 3.5Å; R319-E321 IonicContact CZ-OE1 2.89Å; R319-E321 IonicContact NE-OE1 3.86Å; R319-E321 PolarHBondContact NE-OE1 3.1Å; R319-E321 IonicContact NH1-OE1 2.68Å; R319-E321 PolarHBondContact NH1-OE1 2.83Å; R319-E321 PolarHBondContact O-N 3.12Å; E321-I323 VanDerWaalsContact C-N 3.26Å; E321-I323 PolarHBondContact O-N 3.21Å; E321-Q343 PolarHBondContact O-NE2 3.23Å; E321-Y423 PolarHBondContact N-OH 3.28Å
322	E	87.8	Confident	84.7	Confident	53 Å²	53	53.1 Å²	53.1	25%	0.248	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-77.3	-10	179	-61.2	168.9	173.8	0	0	112.7	R319 L320 S342 Q343	R319-E322 HydrophobicContact CB-CG 4.15Å; R319-E322 IonicContact CZ-OE1 3.63Å; R319-E322 IonicContact NE-OE1 3.93Å; R319-E322 PolarHBondContact NE-OE1 3.35Å; R319-E322 IonicContact NH2-OE1 2.8Å; R319-E322 PolarHBondContact NH2-OE1 2.81Å; R319-E322 WeakPolarHBondContact O-CB 3.42Å; R319-E322 PolarHBondContact O-N 2.82Å; R319-E322 VanDerWaalsContact O-N 3.07Å; L320-E322 VanDerWaalsContact C-N 3.28Å; E322-S342 CarbonylContact O-C 3.54Å; E322-S342 WeakPolarHBondContact O-CA 3.45Å; E322-S342 VanDerWaalsContact O-CB 3.29Å; E322-S342 WeakPolarHBondContact O-CB 3.22Å; E322-Q343 PolarHBondContact O-N 3.45Å
323	I	91.6	Very high	83.6	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.8	-172.2	-58	-53.5	0	0	0	110.9	I318 L320 E321 L340 I421	I318-I323 HydrophobicContact CG2-CD1 3.83Å; I318-I323 HydrophobicContact CG2-CG1 3.82Å; L320-I323 PolarHBondContact O-N 3.42Å; E321-I323 VanDerWaalsContact C-N 3.26Å; E321-I323 PolarHBondContact O-N 3.21Å; I323-L340 HydrophobicContact CD1-CB 4.03Å; I323-L340 HydrophobicContact CG1-CB 4.45Å; I323-L340 HydrophobicContact CG2-CB 4.15Å; I323-L340 HydrophobicContact CG2-CD2 4.34Å; I323-I421 HydrophobicContact CB-CD1 4.09Å; I323-I421 HydrophobicContact CG2-CD1 3.94Å
324	V	88.9	Confident	82.7	Confident	32 Å²	32	52.6 Å²	52.6	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-38	179.8	-174	0	0	0	0	111.7	V341 Q343 R420 I421	V324-V341 PolarHBondContact N-O 3.3Å; V324-Q343 HydrophobicContact CG2-CB 4.17Å; V324-Q343 HydrophobicContact CG2-CG 3.61Å; V324-R420 HydrophobicContact CG1-CG 4.42Å; V324-R420 CarbonylContact O-C 3.52Å; V324-R420 VanDerWaalsContact O-CA 3.31Å; V324-R420 WeakPolarHBondContact O-CA 3.36Å; V324-I421 PolarHBondContact O-N 3.5Å
325	Y	92.1	Very high	82.3	Confident	92 Å²	92	51.7 Å²	51.7	36%	0.361	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.9	-178.6	-57.5	-80.9	0	0	0	113.2	V341 V418 F419 R420	Y325-V341 PolarHBondContact N-O 3.18Å; Y325-V341 PolarHBondContact O-N 2.94Å; Y325-V418 HydrophobicContact CD1-CG1 4.22Å; Y325-F419 CarbonylContact C-O 3.59Å; Y325-F419 VanDerWaalsContact CA-O 3.29Å; Y325-F419 WeakPolarHBondContact CA-O 3.48Å; Y325-R420 HydrophobicContact CD1-CB 3.9Å; Y325-R420 HydrophobicContact CD1-CG 4.14Å; Y325-R420 HydrophobicContact CE1-CB 3.83Å; Y325-R420 HydrophobicContact CE1-CG 3.82Å
326	L	92.9	Very high	82.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.4	165	-55.8	95.7	0	0	0	109	V338 V339 L340 F362 L363 L366 L376 V418 F419 I421	L326-V338 HydrophobicContact CB-CG1 4.41Å; L326-V338 HydrophobicContact CD2-CG1 4.15Å; L326-V339 WeakPolarHBondContact CA-O 3.3Å; L326-L340 HydrophobicContact CB-CD2 4.37Å; L326-L340 HydrophobicContact CD2-CD2 3.48Å; L326-L340 VanDerWaalsContact CD2-CD2 3.48Å; L326-L340 HydrophobicContact CG-CD2 3.69Å; L326-F362 HydrophobicContact CD2-CE1 4.39Å; L326-L363 HydrophobicContact CD2-CD2 4.07Å; L326-L366 HydrophobicContact CD1-CD2 4.07Å; L326-L366 HydrophobicContact CD2-CD2 3.4Å; L326-L366 VanDerWaalsContact CD2-CD2 3.4Å; L326-L366 HydrophobicContact CG-CD2 4.4Å; L326-L376 HydrophobicContact CD1-CD2 3.89Å; L326-V418 WeakPolarHBondContact O-CA 3.44Å; L326-F419 HydrophobicContact CB-CB 4.47Å; L326-F419 HydrophobicContact CD1-CB 4.31Å; L326-F419 PolarHBondContact N-O 2.91Å; L326-F419 PolarHBondContact O-N 3.49Å; L326-I421 HydrophobicContact CD1-CD1 3.89Å; L326-I421 HydrophobicContact CD1-CG1 3.6Å
327	H	90.9	Very high	82.7	Confident	72 Å²	72	49.6 Å²	49.6	33%	0.333	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	170.2	-64.1	-179.9	0	0	0	108.2	V338 V339	H327-V338 CarbonylContact O-C 3.54Å; H327-V338 WeakPolarHBondContact O-CA 3.46Å; H327-V339 HydrophobicContact CB-CB 4.3Å; H327-V339 PolarHBondContact N-O 3.14Å; H327-V339 PolarHBondContact O-N 3.49Å
328	C	90.1	Very high	82.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.1	-168.8	-68	0	0	0	0	110.5	T337 L363 Y417 F419	C328-T337 CarbonylContact C-O 3.38Å; C328-T337 WeakPolarHBondContact CA-O 3.37Å; C328-L363 HydrophobicContact CB-CD1 4.46Å; C328-Y417 PolarHBondContact N-O 2.91Å; C328-Y417 PolarHBondContact O-N 3.36Å; C328-F419 HydrophobicContact CB-CD2 4.46Å; C328-F419 HydrophobicContact CB-CE2 4.18Å
329	H	86.8	Confident	82.9	Confident	56 Å²	56	46.2 Å²	46.2	26%	0.259	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.3	-177.1	-174	81.9	0	0	0	110.2	Q331 G336 T337 A414 D416	H329-Q331 WeakPolarHBondContact NE2-CG 3.19Å; H329-Q331 PolarHBondContact NE2-NE2 3.49Å; H329-G336 CarbonylContact O-C 3.52Å; H329-G336 WeakPolarHBondContact O-CA 3.03Å; H329-T337 PolarHBondContact N-O 3.1Å; H329-T337 PolarHBondContact O-N 3.23Å; H329-A414 WeakPolarHBondContact CE1-CB 3.45Å; H329-D416 IonicContact CE1-OD1 3.21Å; H329-D416 IonicContact CG-OD1 2.61Å; H329-D416 IonicContact ND1-OD1 3.89Å; H329-D416 PolarHBondContact ND1-OD1 2.75Å; H329-D416 IonicContact ND1-OD2 2.7Å
330	Q	78.2	Confident	83.1	Confident	45 Å²	45	40.6 Å²	40.6	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	103.6	178.9	-176.6	63.7	75.8	0	0	110.4	G335 L359 T415 Y417	Q330-G335 PolarHBondContact NE2-O 3.41Å; Q330-L359 HydrophobicContact CB-CD2 4.37Å; Q330-T415 PolarHBondContact N-O 2.94Å; Q330-T415 PolarHBondContact O-N 2.85Å; Q330-Y417 HydrophobicContact CB-CE2 4.45Å
331	Q	66.9	Low	83.1	Confident	78 Å²	78	41.2 Å²	41.2	36%	0.364	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	152.7	166.3	-73.3	174.9	10.7	0	0	109.7	H329 D333 S334 A414	H329-Q331 WeakPolarHBondContact NE2-CG 3.19Å; H329-Q331 PolarHBondContact NE2-NE2 3.49Å; Q331-D333 VanDerWaalsContact C-N 3.3Å; Q331-D333 PolarHBondContact O-N 3.25Å; Q331-S334 WeakPolarHBondContact CB-OG 3.33Å; Q331-S334 VanDerWaalsContact OE1-CB 3.29Å; Q331-S334 PolarHBondContact OE1-OG 3.43Å; Q331-A414 HydrophobicContact CG-CB 3.6Å
332	V	56.4	Low	83	Confident	111 Å²	111	38.2 Å²	38.2	67%	0.673	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-43.7	178.2	-178.2	0	0	0	0	110.5
333	D	56.6	Low	82.7	Confident	110 Å²	110	41 Å²	41	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-13.7	-162.8	-122.6	38.2	0	0	0	115.8	Q331 K355	Q331-D333 VanDerWaalsContact C-N 3.3Å; Q331-D333 PolarHBondContact O-N 3.25Å; D333-K355 VanDerWaalsContact O-CD 3.31Å; D333-K355 WeakPolarHBondContact O-CD 3.41Å; D333-K355 WeakPolarHBondContact O-CE 3.35Å; D333-K355 PolarHBondContact O-NZ 3Å
334	S	60.6	Low	82.1	Confident	66 Å²	66	45.5 Å²	45.5	46%	0.462	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-19.9	-175.7	72.5	0	0	0	0	115.6	Q331	Q331-S334 WeakPolarHBondContact CB-OG 3.33Å; Q331-S334 VanDerWaalsContact OE1-CB 3.29Å; Q331-S334 PolarHBondContact OE1-OG 3.43Å
335	G	74.6	Confident	81.5	Confident	8 Å²	8	46.3 Å²	46.3	8%	0.082	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.5	-162.8	-169.9	0	0	0	0	0	111.1	Q330	Q330-G335 PolarHBondContact NE2-O 3.41Å
336	G	86.8	Confident	81	Confident	3 Å²	3	46.6 Å²	46.6	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.1	177.1	0	0	0	0	0	110.5	H329 F353	H329-G336 CarbonylContact O-C 3.52Å; H329-G336 WeakPolarHBondContact O-CA 3.03Å; G336-F353 PolarHBondContact N-O 3.02Å; G336-F353 WeakPolarHBondContact O-CB 3.49Å; G336-F353 WeakPolarHBondContact O-CD2 3.48Å; G336-F353 PolarHBondContact O-N 3.48Å
337	T	89.2	Confident	80.7	Confident	26 Å²	26	52.4 Å²	52.4	16%	0.16	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.7	-178.6	-58.1	0	0	0	0	110.7	C328 H329 P350 F351 R352	C328-T337 CarbonylContact C-O 3.38Å; C328-T337 WeakPolarHBondContact CA-O 3.37Å; H329-T337 PolarHBondContact N-O 3.1Å; H329-T337 PolarHBondContact O-N 3.23Å; T337-P350 HydrophobicContact CG2-CB 3.72Å; T337-F351 CarbonylContact C-O 3.32Å; T337-F351 WeakPolarHBondContact CA-O 3.21Å; T337-R352 HydrophobicContact CG2-CG 4Å
338	V	92.7	Very high	80.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	170.5	-177.1	0	0	0	0	109.7	L326 H327 L340 P350 F351 F353 L359 F362	L326-V338 HydrophobicContact CB-CG1 4.41Å; L326-V338 HydrophobicContact CD2-CG1 4.15Å; H327-V338 CarbonylContact O-C 3.54Å; H327-V338 WeakPolarHBondContact O-CA 3.46Å; V338-L340 HydrophobicContact CG1-CD2 3.58Å; V338-L340 HydrophobicContact CG1-CG 4.25Å; V338-P350 WeakPolarHBondContact O-CA 3.46Å; V338-F351 HydrophobicContact CB-CB 4.49Å; V338-F351 PolarHBondContact N-O 3.05Å; V338-F351 PolarHBondContact O-N 3.38Å; V338-F353 HydrophobicContact CB-CE2 4.26Å; V338-F353 HydrophobicContact CG2-CD2 4.37Å; V338-F353 HydrophobicContact CG2-CE2 3.66Å; V338-L359 HydrophobicContact CG2-CD1 3.25Å; V338-F362 HydrophobicContact CG2-CD1 4.19Å; V338-F362 HydrophobicContact CG2-CE1 4.26Å
339	V	91.7	Very high	80.3	Confident	28 Å²	28	54.3 Å²	54.3	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.6	161.4	174.3	0	0	0	0	107.5	L326 H327 Q347 P350	L326-V339 WeakPolarHBondContact CA-O 3.3Å; H327-V339 HydrophobicContact CB-CB 4.3Å; H327-V339 PolarHBondContact N-O 3.14Å; H327-V339 PolarHBondContact O-N 3.49Å; V339-Q347 HydrophobicContact CG1-CB 3.96Å; V339-Q347 HydrophobicContact CG1-CG 4.27Å; V339-P350 HydrophobicContact CG2-CB 3.89Å
340	L	92.9	Very high	80.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.9	176.3	-55.5	177.7	0	0	0	108.8	L289 I318 I323 L326 V338 Q347 R348 F351	L289-L340 HydrophobicContact CD2-CD1 3.65Å; I318-L340 HydrophobicContact CD1-CD1 4.05Å; I323-L340 HydrophobicContact CD1-CB 4.03Å; I323-L340 HydrophobicContact CG1-CB 4.45Å; I323-L340 HydrophobicContact CG2-CB 4.15Å; I323-L340 HydrophobicContact CG2-CD2 4.34Å; L326-L340 HydrophobicContact CB-CD2 4.37Å; L326-L340 HydrophobicContact CD2-CD2 3.48Å; L326-L340 VanDerWaalsContact CD2-CD2 3.48Å; L326-L340 HydrophobicContact CG-CD2 3.69Å; V338-L340 HydrophobicContact CG1-CD2 3.58Å; V338-L340 HydrophobicContact CG1-CG 4.25Å; L340-Q347 WeakPolarHBondContact O-CA 3.44Å; L340-R348 HydrophobicContact CB-CB 4.3Å; L340-R348 HydrophobicContact CB-CG 4.33Å; L340-R348 PolarHBondContact O-N 2.92Å; L340-F351 HydrophobicContact CD1-CD2 4.48Å; L340-F351 HydrophobicContact CD1-CE2 3.89Å; L340-F351 HydrophobicContact CG-CD2 4.5Å; L340-F351 HydrophobicContact CG-CE2 4.25Å
341	V	89.9	Confident	81.2	Confident	13 Å²	13	51.3 Å²	51.3	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.2	178	-163	0	0	0	0	108.7	V324 Y325 Q347	V324-V341 PolarHBondContact N-O 3.3Å; Y325-V341 PolarHBondContact N-O 3.18Å; Y325-V341 PolarHBondContact O-N 2.94Å; V341-Q347 HydrophobicContact CG1-CG 4.34Å; V341-Q347 HydrophobicContact CG2-CG 4.23Å
342	S	86.4	Confident	82.3	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	171.5	-177.2	-12.5	0	0	0	0	112.2	E322 D344 G345 I346 R348	E322-S342 CarbonylContact O-C 3.54Å; E322-S342 WeakPolarHBondContact O-CA 3.45Å; E322-S342 VanDerWaalsContact O-CB 3.29Å; E322-S342 WeakPolarHBondContact O-CB 3.22Å; S342-D344 VanDerWaalsContact CB-OD1 3.23Å; S342-D344 WeakPolarHBondContact CB-OD1 3.41Å; S342-D344 PolarHBondContact O-N 2.82Å; S342-G345 PolarHBondContact O-N 2.84Å; S342-I346 PolarHBondContact N-O 2.98Å; S342-I346 PolarHBondContact OG-O 3.5Å; S342-R348 PolarHBondContact OG-NE 2.99Å; S342-R348 PolarHBondContact OG-NH2 3.49Å
343	Q	81.1	Confident	83.8	Confident	111 Å²	111	47.8 Å²	47.8	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.6	-179	-68.8	-177.3	22.4	0	0	113.9	E321 E322 V324 G345	E321-Q343 PolarHBondContact O-NE2 3.23Å; E322-Q343 PolarHBondContact O-N 3.45Å; V324-Q343 HydrophobicContact CG2-CB 4.17Å; V324-Q343 HydrophobicContact CG2-CG 3.61Å; Q343-G345 PolarHBondContact O-N 2.72Å
344	D	77.5	Confident	85.2	Confident	97 Å²	97	44.5 Å²	44.5	52%	0.519	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-4	173.4	54	18.5	0	0	0	114.2	S342 I346	S342-D344 VanDerWaalsContact CB-OD1 3.23Å; S342-D344 WeakPolarHBondContact CB-OD1 3.41Å; S342-D344 PolarHBondContact O-N 2.82Å; D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 HydrophobicContact CB-CD1 4.46Å; D344-I346 HydrophobicContact CB-CG1 4.27Å; D344-I346 PolarHBondContact O-N 3.33Å; D344-I346 WeakPolarHBondContact OD1-CA 3.4Å; D344-I346 VanDerWaalsContact OD1-CB 3.25Å; D344-I346 WeakPolarHBondContact OD1-CB 3.48Å; D344-I346 WeakPolarHBondContact OD1-CG1 3.5Å; D344-I346 PolarHBondContact OD1-N 3.15Å
345	G	77.6	Confident	86	Confident	49 Å²	49	48 Å²	48	51%	0.505	25%	0.25	S	S	.	.	S	Bend	trans	81	-2.5	-173.2	0	0	0	0	0	114.7	S342 Q343 Q347	S342-G345 PolarHBondContact O-N 2.84Å; Q343-G345 PolarHBondContact O-N 2.72Å; G345-Q347 PolarHBondContact O-N 3.39Å
346	I	81.4	Confident	85.8	Confident	98 Å²	98	50.6 Å²	50.6	50%	0.503	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-73.1	123.1	-178.9	-59.6	179.6	0	0	0	109.6	S342 D344	S342-I346 PolarHBondContact N-O 2.98Å; S342-I346 PolarHBondContact OG-O 3.5Å; D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 HydrophobicContact CB-CD1 4.46Å; D344-I346 HydrophobicContact CB-CG1 4.27Å; D344-I346 PolarHBondContact O-N 3.33Å; D344-I346 WeakPolarHBondContact OD1-CA 3.4Å; D344-I346 VanDerWaalsContact OD1-CB 3.25Å; D344-I346 WeakPolarHBondContact OD1-CB 3.48Å; D344-I346 WeakPolarHBondContact OD1-CG1 3.5Å; D344-I346 PolarHBondContact OD1-N 3.15Å
347	Q	86.1	Confident	85.4	Confident	123 Å²	123	52.6 Å²	52.6	58%	0.575	30%	0.298	S	S	*	.	B	Isolated β-bridge	trans	-78.7	126.3	174.4	-64.7	-176.7	79.2	0	0	110.1	V339 L340 V341 G345	V339-Q347 HydrophobicContact CG1-CB 3.96Å; V339-Q347 HydrophobicContact CG1-CG 4.27Å; L340-Q347 WeakPolarHBondContact O-CA 3.44Å; V341-Q347 HydrophobicContact CG1-CG 4.34Å; V341-Q347 HydrophobicContact CG2-CG 4.23Å; G345-Q347 PolarHBondContact O-N 3.39Å
348	R	86.3	Confident	85	Confident	73 Å²	73	52.7 Å²	52.7	28%	0.275	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-82.1	152.1	174.1	-54.2	-60.8	179.3	160.7	-0.7	110.6	I318 L340 S342	I318-R348 HydrophobicContact CD1-CG 4.39Å; L340-R348 HydrophobicContact CB-CB 4.3Å; L340-R348 HydrophobicContact CB-CG 4.33Å; L340-R348 PolarHBondContact O-N 2.92Å; S342-R348 PolarHBondContact OG-NE 2.99Å; S342-R348 PolarHBondContact OG-NH2 3.49Å
349	P	87.4	Confident	84.5	Confident	39 Å²	39	52.7 Å²	52.7	25%	0.253	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-46.9	142.4	178.9	-33.9	37.6	0	0	0	115.1	V265 M316 F351	V265-P349 HydrophobicContact CG1-CB 3.68Å; M316-P349 HydrophobicContact CE-CG 4.46Å; P349-F351 PolarHBondContact O-N 3.21Å
350	P	90	Very high	84	Confident	34 Å²	34	54 Å²	54	22%	0.221	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71	118	-173.6	26.2	-33.9	0	0	0	112.8	T337 V338 V339 R352	T337-P350 HydrophobicContact CG2-CB 3.72Å; V338-P350 WeakPolarHBondContact O-CA 3.46Å; V339-P350 HydrophobicContact CG2-CB 3.89Å; P350-R352 PolarHBondContact O-N 3.37Å
351	F	93.1	Very high	83.1	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	102.1	172.1	-61.2	-81.1	0	0	0	110.2	V263 V265 L278 L289 W291 M316 I318 T337 V338 L340 P349 F353	V263-F351 HydrophobicContact CG1-CB 4.02Å; V263-F351 HydrophobicContact CG1-CD1 4.3Å; V265-F351 HydrophobicContact CG2-CD1 3.34Å; V265-F351 HydrophobicContact CG2-CE1 3.65Å; V265-F351 HydrophobicContact CG2-CG 4.23Å; L278-F351 HydrophobicContact CD1-CD1 3.74Å; L278-F351 HydrophobicContact CD1-CE1 3.78Å; L289-F351 HydrophobicContact CD2-CE2 4.35Å; L289-F351 HydrophobicContact CD2-CZ 4.37Å; W291-F351 HydrophobicContact CB-CE1 3.82Å; W291-F351 HydrophobicContact CG-CD1 4.47Å; W291-F351 HydrophobicContact CG-CE1 4.02Å; M316-F351 HydrophobicContact SD-CE1 4.33Å; M316-F351 HydrophobicContact SD-CZ 3.98Å; I318-F351 HydrophobicContact CD1-CE2 4.31Å; I318-F351 HydrophobicContact CD1-CZ 4.03Å; T337-F351 CarbonylContact C-O 3.32Å; T337-F351 WeakPolarHBondContact CA-O 3.21Å; V338-F351 HydrophobicContact CB-CB 4.49Å; V338-F351 PolarHBondContact N-O 3.05Å; V338-F351 PolarHBondContact O-N 3.38Å; L340-F351 HydrophobicContact CD1-CD2 4.48Å; L340-F351 HydrophobicContact CD1-CE2 3.89Å; L340-F351 HydrophobicContact CG-CD2 4.5Å; L340-F351 HydrophobicContact CG-CE2 4.25Å; P349-F351 PolarHBondContact O-N 3.21Å; F351-F353 HydrophobicContact CB-CE2 4.11Å; F351-F353 WeakPolarHBondContact O-CD2 3.33Å
352	R	90.9	Very high	83	Confident	109 Å²	109	58 Å²	58	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.6	179.6	-44	-173.9	-168.6	-154.1	8.1	110.1	L264 T337 P350	L264-R352 HydrophobicContact CB-CB 4.25Å; L264-R352 PolarHBondContact N-O 2.92Å; L264-R352 PolarHBondContact O-N 3.48Å; T337-R352 HydrophobicContact CG2-CG 4Å; P350-R352 PolarHBondContact O-N 3.37Å
353	F	88.1	Confident	83	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.7	-179.5	-67.3	-103.2	0	0	0	111.3	Y258 V263 L278 G336 V338 F351 H358 F362	Y258-F353 AromaticContact CE1-CE1 3.97Å; Y258-F353 HydrophobicContact CE1-CE1 3.97Å; Y258-F353 AromaticContact CZ-CE1 3.95Å; Y258-F353 WeakPolarHBondContact OH-CD1 3.46Å; Y258-F353 VanDerWaalsContact OH-CE1 3.28Å; Y258-F353 WeakPolarHBondContact OH-CE1 3.41Å; V263-F353 HydrophobicContact CG2-CD1 3.92Å; V263-F353 HydrophobicContact CG2-CE1 4.1Å; V263-F353 HydrophobicContact CG2-CG 4.49Å; L278-F353 HydrophobicContact CD2-CE1 3.65Å; L278-F353 HydrophobicContact CD2-CE2 4.39Å; L278-F353 HydrophobicContact CD2-CZ 3.39Å; G336-F353 PolarHBondContact N-O 3.02Å; G336-F353 WeakPolarHBondContact O-CB 3.49Å; G336-F353 WeakPolarHBondContact O-CD2 3.48Å; G336-F353 PolarHBondContact O-N 3.48Å; V338-F353 HydrophobicContact CB-CE2 4.26Å; V338-F353 HydrophobicContact CG2-CD2 4.37Å; V338-F353 HydrophobicContact CG2-CE2 3.66Å; F351-F353 HydrophobicContact CB-CE2 4.11Å; F351-F353 WeakPolarHBondContact O-CD2 3.33Å; F353-H358 HydrophobicContact CB-CB 4.36Å; F353-H358 HydrophobicContact CD1-CB 4.1Å; F353-F362 HydrophobicContact CE1-CB 3.78Å; F353-F362 HydrophobicContact CE1-CD2 4.47Å; F353-F362 HydrophobicContact CE1-CG 4.03Å; F353-F362 HydrophobicContact CE2-CD1 4.35Å; F353-F362 HydrophobicContact CZ-CB 3.82Å; F353-F362 AromaticContact CZ-CD1 3.77Å; F353-F362 HydrophobicContact CZ-CD1 3.77Å; F353-F362 HydrophobicContact CZ-CD2 4.15Å; F353-F362 HydrophobicContact CZ-CE1 4.41Å; F353-F362 AromaticContact CZ-CG 3.62Å; F353-F362 HydrophobicContact CZ-CG 3.62Å
354	P	84.1	Confident	82.9	Confident	41 Å²	41	54.3 Å²	54.3	27%	0.266	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.9	177.3	28.6	-34	0	0	0	111.6	K260 N262	K260-P354 VanDerWaalsContact CE-CG 3.43Å; N262-P354 WeakPolarHBondContact O-CD 3.49Å
355	K	77.8	Confident	83.2	Confident	139 Å²	139	51.2 Å²	51.2	60%	0.604	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	138.9	179	-47.3	-168.1	-165.7	-160.3	0	111.1	D333	D333-K355 VanDerWaalsContact O-CD 3.31Å; D333-K355 WeakPolarHBondContact O-CD 3.41Å; D333-K355 WeakPolarHBondContact O-CE 3.35Å; D333-K355 PolarHBondContact O-NZ 3Å
356	G	71.7	Confident	83.6	Confident	63 Å²	63	48.9 Å²	48.9	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.2	16.3	179.6	0	0	0	0	0	116.6	H358	G356-H358 VanDerWaalsContact C-N 3.29Å; G356-H358 PolarHBondContact O-N 3.21Å
357	G	76.8	Confident	83.7	Confident	45 Å²	45	44.9 Å²	44.9	46%	0.464	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	10.3	177.1	0	0	0	0	0	115.2	L359 L360 Q361	G357-L359 PolarHBondContact O-N 2.95Å; G357-L360 PolarHBondContact O-N 3.26Å; G357-Q361 PolarHBondContact O-N 2.93Å
358	H	80.8	Confident	83.4	Confident	28 Å²	28	43.3 Å²	43.3	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-23.9	-176.9	-66.7	-53.4	0	0	0	114.4	Y258 K260 F353 G356 Q361 F362	Y258-H358 PolarHBondContact OH-O 3.34Å; K260-H358 PolarHBondContact NZ-CD2 3Å; K260-H358 VanDerWaalsContact NZ-CD2 3.27Å; K260-H358 PolarHBondContact NZ-CE1 2.71Å; K260-H358 PolarHBondContact NZ-NE2 2.99Å; F353-H358 HydrophobicContact CB-CB 4.36Å; F353-H358 HydrophobicContact CD1-CB 4.1Å; G356-H358 VanDerWaalsContact C-N 3.29Å; G356-H358 PolarHBondContact O-N 3.21Å; H358-Q361 PolarHBondContact ND1-OE1 3.11Å; H358-Q361 PolarHBondContact O-N 3.18Å; H358-F362 WeakPolarHBondContact O-CB 3.41Å; H358-F362 PolarHBondContact O-N 2.59Å
359	L	82.6	Confident	83.1	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-52.3	169.1	170.9	59	0	0	0	111.8	Q330 V338 G357 Q361 F362 L363	Q330-L359 HydrophobicContact CB-CD2 4.37Å; V338-L359 HydrophobicContact CG2-CD1 3.25Å; G357-L359 PolarHBondContact O-N 2.95Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.99Å; L359-F362 WeakPolarHBondContact O-CB 3.2Å; L359-F362 PolarHBondContact O-N 3.32Å; L359-F362 VanDerWaalsContact O-N 3.14Å; L359-L363 HydrophobicContact CD1-CD1 3.84Å; L359-L363 HydrophobicContact CD1-CG 4.04Å; L359-L363 HydrophobicContact CG-CD1 4.13Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 2.75Å
360	L	81.9	Confident	82.8	Confident	56 Å²	56	38.6 Å²	38.6	29%	0.293	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-32.7	179.7	-178.8	61	0	0	0	111.5	G357 S364 F390	G357-L360 PolarHBondContact O-N 3.26Å; L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.08Å; L360-F390 HydrophobicContact CB-CE2 4.19Å; L360-F390 HydrophobicContact CB-CZ 4.28Å; L360-F390 HydrophobicContact CD1-CE1 4.32Å; L360-F390 HydrophobicContact CD1-CE2 4.02Å; L360-F390 HydrophobicContact CD1-CZ 3.89Å; L360-F390 HydrophobicContact CD2-CE2 4.32Å; L360-F390 HydrophobicContact CG-CE2 4.41Å
361	Q	74.8	Confident	82.2	Confident	94 Å²	94	41 Å²	41	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-41.5	172.5	-169.4	-175.2	5.9	0	0	111.8	Y258 G357 H358 L359 S364 C365	Y258-Q361 HydrophobicContact CD2-CG 4.25Å; Y258-Q361 HydrophobicContact CE2-CB 4.02Å; Y258-Q361 HydrophobicContact CE2-CG 3.84Å; G357-Q361 PolarHBondContact O-N 2.93Å; H358-Q361 PolarHBondContact ND1-OE1 3.11Å; H358-Q361 PolarHBondContact O-N 3.18Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.99Å; Q361-S364 PolarHBondContact O-N 3.46Å; Q361-C365 PolarHBondContact O-N 2.92Å; Q361-C365 PolarHBondContact O-SG 3.1Å
362	F	86.2	Confident	81.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-53.3	175.6	169.9	-108.2	0	0	0	111.6	Y258 L278 L280 L289 L326 V338 F353 H358 L359 S364 C365 L366	Y258-F362 AromaticContact CD1-CD2 3.89Å; Y258-F362 HydrophobicContact CD1-CD2 3.89Å; Y258-F362 HydrophobicContact CD2-CB 4.33Å; Y258-F362 HydrophobicContact CE1-CB 4.12Å; Y258-F362 HydrophobicContact CE1-CD2 4.02Å; Y258-F362 VanDerWaalsContact CE2-CA 3.5Å; Y258-F362 HydrophobicContact CE2-CB 3.84Å; Y258-F362 HydrophobicContact CG-CD2 4.23Å; L278-F362 HydrophobicContact CD2-CD2 4.33Å; L278-F362 HydrophobicContact CD2-CE2 4.31Å; L280-F362 HydrophobicContact CD2-CE2 4.19Å; L289-F362 HydrophobicContact CD1-CE2 3.62Å; L289-F362 HydrophobicContact CD1-CZ 4.02Å; L289-F362 HydrophobicContact CD2-CZ 4.35Å; L326-F362 HydrophobicContact CD2-CE1 4.39Å; V338-F362 HydrophobicContact CG2-CD1 4.19Å; V338-F362 HydrophobicContact CG2-CE1 4.26Å; F353-F362 HydrophobicContact CE1-CB 3.78Å; F353-F362 HydrophobicContact CE1-CD2 4.47Å; F353-F362 HydrophobicContact CE1-CG 4.03Å; F353-F362 HydrophobicContact CE2-CD1 4.35Å; F353-F362 HydrophobicContact CZ-CB 3.82Å; F353-F362 AromaticContact CZ-CD1 3.77Å; F353-F362 HydrophobicContact CZ-CD1 3.77Å; F353-F362 HydrophobicContact CZ-CD2 4.15Å; F353-F362 HydrophobicContact CZ-CE1 4.41Å; F353-F362 AromaticContact CZ-CG 3.62Å; F353-F362 HydrophobicContact CZ-CG 3.62Å; H358-F362 WeakPolarHBondContact O-CB 3.41Å; H358-F362 PolarHBondContact O-N 2.59Å; L359-F362 WeakPolarHBondContact O-CB 3.2Å; L359-F362 PolarHBondContact O-N 3.32Å; L359-F362 VanDerWaalsContact O-N 3.14Å; F362-S364 PolarHBondContact O-N 3.13Å; F362-C365 PolarHBondContact O-N 3.12Å; F362-C365 VanDerWaalsContact O-N 3.07Å; F362-L366 PolarHBondContact O-N 2.88Å
363	L	86.4	Confident	80.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-37.4	177.1	-65.2	173.1	0	0	0	111.5	L326 C328 L359 L366 E367 L380 F390 F419	L326-L363 HydrophobicContact CD2-CD2 4.07Å; C328-L363 HydrophobicContact CB-CD1 4.46Å; L359-L363 HydrophobicContact CD1-CD1 3.84Å; L359-L363 HydrophobicContact CD1-CG 4.04Å; L359-L363 HydrophobicContact CG-CD1 4.13Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 2.75Å; L363-L366 PolarHBondContact O-N 3.39Å; L363-E367 PolarHBondContact O-N 3.42Å; L363-L380 HydrophobicContact CB-CD1 3.82Å; L363-L380 HydrophobicContact CB-CD2 4.37Å; L363-L380 WeakPolarHBondContact O-CD1 3.26Å; L363-F390 HydrophobicContact CD1-CE1 4.42Å; L363-F419 HydrophobicContact CD1-CE2 3.89Å; L363-F419 HydrophobicContact CD1-CZ 4.5Å
364	S	79.9	Confident	79.9	Confident	37 Å²	37	47.5 Å²	47.5	26%	0.259	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-41.5	174.3	-179.4	0	0	0	0	112.7	L360 Q361 F362 N368 W381	L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.08Å; Q361-S364 PolarHBondContact O-N 3.46Å; F362-S364 PolarHBondContact O-N 3.13Å; S364-N368 PolarHBondContact O-N 3.11Å; S364-N368 PolarHBondContact O-ND2 2.72Å; S364-W381 WeakPolarHBondContact OG-CH2 3.27Å; S364-W381 WeakPolarHBondContact OG-CZ2 3.47Å
365	C	82.8	Confident	80	Confident	32 Å²	32	49.8 Å²	49.8	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-33.1	175.9	-70.2	0	0	0	0	112	L257 Y258 L280 Q361 F362 G369	L257-C365 PolarHBondContact O-SG 2.97Å; Y258-C365 HydrophobicContact CD2-CB 4.26Å; Y258-C365 HydrophobicContact CG-CB 4.48Å; L280-C365 HydrophobicContact CD2-CB 4.33Å; Q361-C365 PolarHBondContact O-N 2.92Å; Q361-C365 PolarHBondContact O-SG 3.1Å; F362-C365 PolarHBondContact O-N 3.12Å; F362-C365 VanDerWaalsContact O-N 3.07Å; C365-G369 PolarHBondContact O-N 3.34Å
366	L	85.9	Confident	80.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-54.8	173.9	178.6	59.8	0	0	0	111.8	L280 M287 L320 L326 F362 L363 N368 G369 L370 L376	L280-L366 HydrophobicContact CD2-CB 4.39Å; M287-L366 HydrophobicContact CE-CD1 3.65Å; M287-L366 HydrophobicContact SD-CD1 4.3Å; L320-L366 HydrophobicContact CD1-CD1 3.84Å; L320-L366 HydrophobicContact CG-CD1 4.01Å; L326-L366 HydrophobicContact CD1-CD2 4.07Å; L326-L366 HydrophobicContact CD2-CD2 3.4Å; L326-L366 VanDerWaalsContact CD2-CD2 3.4Å; L326-L366 HydrophobicContact CG-CD2 4.4Å; F362-L366 PolarHBondContact O-N 2.88Å; L363-L366 PolarHBondContact O-N 3.39Å; L366-N368 VanDerWaalsContact C-N 3.3Å; L366-N368 PolarHBondContact O-N 3.31Å; L366-G369 PolarHBondContact O-N 3.5Å; L366-G369 VanDerWaalsContact O-N 3.08Å; L366-L370 HydrophobicContact CD1-CD1 4.08Å; L366-L370 HydrophobicContact CD1-CG 4.12Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 WeakPolarHBondContact O-CG 3.3Å; L366-L370 PolarHBondContact O-N 2.96Å; L366-L376 HydrophobicContact CD2-CD2 4.19Å; L366-L376 HydrophobicContact CG-CD2 4.45Å
367	E	84.3	Confident	80.8	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-35.4	-179.1	-168.2	177.5	142.6	0	0	112.4	L363 L371 L376 L380 W381	L363-E367 PolarHBondContact O-N 3.42Å; E367-L371 WeakPolarHBondContact O-CG 3.38Å; E367-L376 HydrophobicContact CB-CD1 4.04Å; E367-L376 HydrophobicContact CB-CG 4.15Å; E367-L376 HydrophobicContact CG-CB 4.46Å; E367-L376 HydrophobicContact CG-CG 4.31Å; E367-L380 HydrophobicContact CB-CD1 4.21Å; E367-L380 WeakPolarHBondContact OE2-CB 3.33Å; E367-L380 WeakPolarHBondContact OE2-CD1 3.28Å; E367-L380 WeakPolarHBondContact OE2-CG 3.4Å; E367-L380 PolarHBondContact OE2-N 3.36Å; E367-W381 HydrophobicContact CB-CH2 4.27Å; E367-W381 HydrophobicContact CB-CZ3 3.93Å; E367-W381 VanDerWaalsContact CD-CZ3 3.48Å; E367-W381 HydrophobicContact CG-CZ3 3.92Å; E367-W381 VanDerWaalsContact OE1-CE3 3.28Å; E367-W381 WeakPolarHBondContact OE1-CZ3 3.46Å
368	N	79.2	Confident	81	Confident	90 Å²	90	44 Å²	44	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-75	-26.3	175.3	-74.9	-90.7	0	0	0	113.5	S364 L366 W381	S364-N368 PolarHBondContact O-N 3.11Å; S364-N368 PolarHBondContact O-ND2 2.72Å; L366-N368 VanDerWaalsContact C-N 3.3Å; L366-N368 PolarHBondContact O-N 3.31Å; N368-W381 VanDerWaalsContact ND2-CH2 3.26Å; N368-W381 WeakPolarHBondContact ND2-CH2 3.09Å
369	G	79.9	Confident	80.6	Confident	5 Å²	5	44.6 Å²	44.6	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-80.3	-31.2	176.4	0	0	0	0	0	113.6	Q282 C365 L366 L371	Q282-G369 PolarHBondContact NE2-O 2.96Å; C365-G369 PolarHBondContact O-N 3.34Å; L366-G369 PolarHBondContact O-N 3.5Å; L366-G369 VanDerWaalsContact O-N 3.08Å; G369-L371 VanDerWaalsContact C-N 3.33Å
370	L	82.8	Confident	79.9	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-35.4	172.9	-69.9	167.8	0	0	0	111.8	M287 L366 H373 G374 L376 I421 Y423	M287-L370 HydrophobicContact SD-CD2 4.24Å; M287-L370 HydrophobicContact SD-CG 4.32Å; L366-L370 HydrophobicContact CD1-CD1 4.08Å; L366-L370 HydrophobicContact CD1-CG 4.12Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 WeakPolarHBondContact O-CG 3.3Å; L366-L370 PolarHBondContact O-N 2.96Å; L370-H373 CarbonylContact O-C 3.57Å; L370-H373 WeakPolarHBondContact O-CA 3.19Å; L370-H373 PolarHBondContact O-N 2.85Å; L370-G374 CarbonylContact C-O 3.57Å; L370-G374 PolarHBondContact O-N 2.7Å; L370-L376 HydrophobicContact CD1-CD2 3.87Å; L370-L376 HydrophobicContact CD1-CG 4.26Å; L370-I421 HydrophobicContact CD1-CG2 3.99Å; L370-I421 HydrophobicContact CD2-CG2 3.92Å; L370-Y423 HydrophobicContact CD2-CE1 3.66Å; L370-Y423 WeakPolarHBondContact CD2-OH 3.41Å
371	L	77.6	Confident	79.1	Confident	85 Å²	85	48.4 Å²	48.4	45%	0.445	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	140.7	-179	-73.6	169.5	0	0	0	112.7	E367 G369 G374	E367-L371 WeakPolarHBondContact O-CG 3.38Å; G369-L371 VanDerWaalsContact C-N 3.33Å; L371-G374 PolarHBondContact N-O 3.18Å
372	P	69.2	Low	78	Confident	105 Å²	105	48.2 Å²	48.2	68%	0.682	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.1	-1.9	2.4	36.6	-37.4	0	0	0	114.4	G374	P372-G374 VanDerWaalsContact C-N 3.34Å; P372-G374 PolarHBondContact O-N 3.32Å
373	H	73.6	Confident	75.9	Confident	144 Å²	144	55.2 Å²	55.2	67%	0.667	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	5.8	-170.1	-57.8	-75.1	0	0	0	114.2	L370 Y423 P424	L370-H373 CarbonylContact O-C 3.57Å; L370-H373 WeakPolarHBondContact O-CA 3.19Å; L370-H373 PolarHBondContact O-N 2.85Å; H373-Y423 WeakPolarHBondContact O-CD1 3.45Å; H373-P424 WeakPolarHBondContact O-CD 3.35Å
374	G	80.1	Confident	73.7	Confident	5 Å²	5	68 Å²	68	5%	0.052	35%	0.346	C	S	.	.			trans	-175.6	173.2	174.2	0	0	0	0	0	112.4	L370 L371 P372 I422	L370-G374 CarbonylContact C-O 3.57Å; L370-G374 PolarHBondContact O-N 2.7Å; L371-G374 PolarHBondContact N-O 3.18Å; P372-G374 VanDerWaalsContact C-N 3.34Å; P372-G374 PolarHBondContact O-N 3.32Å; G374-I422 CarbonylContact C-O 3.12Å; G374-I422 WeakPolarHBondContact CA-O 3.32Å
375	Q	85.6	Confident	71.7	Confident	89 Å²	89	69.7 Å²	69.7	42%	0.416	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.4	177.5	66.3	-179.5	16	0	0	111.6	I422	Q375-I422 HydrophobicContact CG-CB 4.39Å; Q375-I422 PolarHBondContact N-O 3.34Å; Q375-I422 PolarHBondContact O-N 3.29Å
376	L	86.5	Confident	69.5	Low	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.4	162.3	-61	-177	0	0	0	110	L326 L366 E367 L370 P378 P379 L380 F419 R420 I421	L326-L376 HydrophobicContact CD1-CD2 3.89Å; L366-L376 HydrophobicContact CD2-CD2 4.19Å; L366-L376 HydrophobicContact CG-CD2 4.45Å; E367-L376 HydrophobicContact CB-CD1 4.04Å; E367-L376 HydrophobicContact CB-CG 4.15Å; E367-L376 HydrophobicContact CG-CB 4.46Å; E367-L376 HydrophobicContact CG-CG 4.31Å; L370-L376 HydrophobicContact CD1-CD2 3.87Å; L370-L376 HydrophobicContact CD1-CG 4.26Å; L376-P378 CarbonylContact O-C 3.16Å; L376-P379 VanDerWaalsContact O-CA 3.28Å; L376-P379 WeakPolarHBondContact O-CA 3.43Å; L376-P379 VanDerWaalsContact O-N 3.13Å; L376-L380 HydrophobicContact CD1-CD1 4.19Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L376-F419 HydrophobicContact CB-CB 4.49Å; L376-F419 HydrophobicContact CB-CD1 4.41Å; L376-F419 HydrophobicContact CD1-CD1 4.48Å; L376-F419 HydrophobicContact CD1-CG 4.47Å; L376-F419 HydrophobicContact CD2-CB 4.38Å; L376-R420 CarbonylContact C-O 3.6Å; L376-R420 WeakPolarHBondContact CA-O 3.42Å; L376-I421 HydrophobicContact CD2-CG1 4.13Å
377	D	80.4	Confident	67.3	Low	74 Å²	74	80.3 Å²	80.3	40%	0.396	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.3	171.8	-176.7	38	0	0	0	110.4	F419 R420 I422	D377-F419 WeakPolarHBondContact O-CA 3.35Å; D377-R420 HydrophobicContact CB-CB 4.46Å; D377-R420 PolarHBondContact N-O 3.34Å; D377-R420 PolarHBondContact O-N 2.74Å; D377-I422 HydrophobicContact CB-CD1 3.54Å; D377-I422 HydrophobicContact CB-CG1 4.18Å
378	P	80.1	Confident	65.5	Low	53 Å²	53	88.1 Å²	88.1	34%	0.344	47%	0.465	S	S	.	.	S	Bend	cis	-68.6	142	-5.6	30.3	-35.1	0	0	0	111.8	L376 F419	L376-P378 CarbonylContact O-C 3.16Å; P378-F419 VanDerWaalsContact O-CD1 3.29Å; P378-F419 WeakPolarHBondContact O-CD1 3.16Å; P378-F419 WeakPolarHBondContact O-CE1 3.5Å
379	P	73.2	Confident	63.9	Low	40 Å²	40	89.2 Å²	89.2	26%	0.26	48%	0.475	S	S	.	.			trans	-65.6	144.5	178.2	26.6	-34.9	0	0	0	111.1	L376 W381	L376-P379 VanDerWaalsContact O-CA 3.28Å; L376-P379 WeakPolarHBondContact O-CA 3.43Å; L376-P379 VanDerWaalsContact O-N 3.13Å; P379-W381 PolarHBondContact O-N 3.12Å
380	L	66.9	Low	62.3	Low	11 Å²	11	90.5 Å²	90.5	6%	0.058	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	-175.6	-64.5	164.9	0	0	0	112.7	L363 E367 L376 F419	L363-L380 HydrophobicContact CB-CD1 3.82Å; L363-L380 HydrophobicContact CB-CD2 4.37Å; L363-L380 WeakPolarHBondContact O-CD1 3.26Å; E367-L380 HydrophobicContact CB-CD1 4.21Å; E367-L380 WeakPolarHBondContact OE2-CB 3.33Å; E367-L380 WeakPolarHBondContact OE2-CD1 3.28Å; E367-L380 WeakPolarHBondContact OE2-CG 3.4Å; E367-L380 PolarHBondContact OE2-N 3.36Å; L376-L380 HydrophobicContact CD1-CD1 4.19Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L380-F419 HydrophobicContact CD2-CE1 3.64Å; L380-F419 HydrophobicContact CD2-CE2 4.41Å; L380-F419 HydrophobicContact CD2-CZ 3.54Å; L380-F419 HydrophobicContact CG-CE1 4.43Å
381	W	66.2	Low	60.3	Low	125 Å²	125	92 Å²	92	47%	0.473	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	59.9	-173.9	-49	-65.4	0	0	0	113.7	S364 E367 N368 P379 Q383	S364-W381 WeakPolarHBondContact OG-CH2 3.27Å; S364-W381 WeakPolarHBondContact OG-CZ2 3.47Å; E367-W381 HydrophobicContact CB-CH2 4.27Å; E367-W381 HydrophobicContact CB-CZ3 3.93Å; E367-W381 VanDerWaalsContact CD-CZ3 3.48Å; E367-W381 HydrophobicContact CG-CZ3 3.92Å; E367-W381 VanDerWaalsContact OE1-CE3 3.28Å; E367-W381 WeakPolarHBondContact OE1-CZ3 3.46Å; N368-W381 VanDerWaalsContact ND2-CH2 3.26Å; N368-W381 WeakPolarHBondContact ND2-CH2 3.09Å; P379-W381 PolarHBondContact O-N 3.12Å; W381-Q383 PolarHBondContact O-N 3.23Å
382	S	51.8	Low	58.6	Low	91 Å²	91	97.3 Å²	97.3	64%	0.636	51%	0.509	S	S	*	.			trans	-60.6	-4.8	-178.3	62.2	0	0	0	0	116.9
383	Q	41.3	Very low	57.2	Low	150 Å²	150	98.3 Å²	98.3	70%	0.701	51%	0.508	S	S	*	.	S	Bend	trans	-140.4	129.4	172	-68.8	-167.1	-5.8	0	0	114	W381 G385	W381-Q383 PolarHBondContact O-N 3.23Å; Q383-G385 PolarHBondContact O-N 2.92Å
384	R	40	Very low	55.4	Low	268 Å²	268	103 Å²	103	100%	1.011	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	95.2	165.7	-69.5	-175.5	179.2	-173.1	1	110.6
385	G	38.7	Very low	53.2	Low	73 Å²	73	111 Å²	111	75%	0.753	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.3	1.6	156.9	0	0	0	0	0	119.7	Q383	Q383-G385 PolarHBondContact O-N 2.92Å
386	K	36.2	Very low	50.4	Low	188 Å²	188	118.5 Å²	118.5	82%	0.817	58%	0.577	S	S	*	*			trans	-141.4	114.8	-177.6	-67.6	-175.8	-178.7	176.2	0	114.7
387	G	39.9	Very low	47.7	Very low	68 Å²	68	123.2 Å²	123.2	70%	0.701	61%	0.61	S	S	*	*			trans	69.1	132.8	148.3	0	0	0	0	0	119.4	V389	G387-V389 PolarHBondContact O-N 3.07Å
388	K	45.6	Very low	45.6	Very low	177 Å²	177	125.7 Å²	125.7	77%	0.77	63%	0.63	S	S	*	*	S	Bend	trans	-74	82	166.8	-66.5	-176.3	-179	-179.6	0	110.2	D189	D189-K388 IonicContact OD1-NZ 3.54Å; D189-K388 PolarHBondContact OD1-NZ 3Å; D189-K388 VanDerWaalsContact OD1-NZ 3.09Å
389	V	45.6	Very low	43.5	Very low	114 Å²	114	132.8 Å²	132.8	69%	0.691	66%	0.659	S	S	*	*			trans	-143.6	140.5	172.1	-170.7	0	0	0	0	109.6	G387	G387-V389 PolarHBondContact O-N 3.07Å
390	F	46.6	Very low	41.4	Very low	32 Å²	32	134.2 Å²	134.2	14%	0.14	68%	0.681	C	S	.	*			trans	-58.4	148.4	173.5	-85.5	-90.2	0	0	0	112.5	L360 L363 K392 Y417 F419	L360-F390 HydrophobicContact CB-CE2 4.19Å; L360-F390 HydrophobicContact CB-CZ 4.28Å; L360-F390 HydrophobicContact CD1-CE1 4.32Å; L360-F390 HydrophobicContact CD1-CE2 4.02Å; L360-F390 HydrophobicContact CD1-CZ 3.89Å; L360-F390 HydrophobicContact CD2-CE2 4.32Å; L360-F390 HydrophobicContact CG-CE2 4.41Å; L363-F390 HydrophobicContact CD1-CE1 4.42Å; F390-K392 PolarHBondContact O-N 3.34Å; F390-Y417 HydrophobicContact CB-CE1 3.7Å; F390-Y417 VanDerWaalsContact CB-OH 3.23Å; F390-Y417 WeakPolarHBondContact CB-OH 3.46Å; F390-Y417 AromaticContact CD1-CD1 3.88Å; F390-Y417 HydrophobicContact CD1-CD1 3.88Å; F390-Y417 HydrophobicContact CD1-CD2 4.08Å; F390-Y417 AromaticContact CD1-CE1 3.6Å; F390-Y417 HydrophobicContact CD1-CE1 3.6Å; F390-Y417 AromaticContact CD1-CE2 3.82Å; F390-Y417 HydrophobicContact CD1-CE2 3.82Å; F390-Y417 HydrophobicContact CD1-CG 4.11Å; F390-Y417 AromaticContact CD1-CZ 3.57Å; F390-Y417 HydrophobicContact CD2-CE2 4.5Å; F390-Y417 HydrophobicContact CE1-CD1 4.45Å; F390-Y417 HydrophobicContact CE1-CD2 4.03Å; F390-Y417 HydrophobicContact CE1-CE1 4.47Å; F390-Y417 HydrophobicContact CE1-CE2 4.05Å; F390-Y417 HydrophobicContact CE1-CG 4.24Å; F390-Y417 AromaticContact CG-CE1 3.92Å; F390-Y417 HydrophobicContact CG-CE1 3.92Å; F390-Y417 HydrophobicContact CG-CE2 4.07Å; F390-Y417 AromaticContact CG-CZ 3.59Å; F390-Y417 HydrophobicContact CZ-CE2 4.48Å; F390-F419 HydrophobicContact CE1-CZ 4.36Å
391	P	42.2	Very low	39.7	Very low	41 Å²	41	139.4 Å²	139.4	27%	0.266	72%	0.718	S	S	.	*			trans	-62.7	115.5	171.4	-20.1	32.7	0	0	0	111.5	L393	P391-L393 PolarHBondContact O-N 3.42Å
392	K	41	Very low	38.1	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	73%	0.731	S	S	*	*			trans	-72.8	95.4	175	-72.8	-163.5	171.6	-161.9	0	110.9	F390	F390-K392 PolarHBondContact O-N 3.34Å
393	L	39.8	Very low	37.2	Very low	125 Å²	125	142.3 Å²	142.3	65%	0.654	74%	0.743	S	S	*	*			trans	-61.2	136.9	169.2	-70.7	172	0	0	0	110.3	P391	P391-L393 PolarHBondContact O-N 3.42Å
394	R	35	Very low	36.7	Very low	243 Å²	243	140.3 Å²	140.3	92%	0.917	75%	0.745	S	S	*	*			trans	-100.6	96.1	-170.8	-165.9	178.5	-172.6	-172	1.8	110.1	R396	R394-R396 PolarHBondContact O-N 3.28Å
395	K	33.8	Very low	36.4	Very low	172 Å²	172	133.7 Å²	133.7	75%	0.748	74%	0.735	S	S	*	*			trans	-43.9	126.6	174.1	-113.7	176.7	-177.3	176.2	0	110.5	E413	K395-E413 IonicContact NZ-OE1 2.78Å; K395-E413 PolarHBondContact NZ-OE1 2.83Å
396	R	27.4	Very low	36.1	Very low	247 Å²	247	135.4 Å²	135.4	93%	0.932	74%	0.735	S	S	*	*			trans	-114.9	84.5	178.1	-173.2	-175.3	-175.2	-176.2	1.1	109.6	R394	R394-R396 PolarHBondContact O-N 3.28Å
397	S	30.2	Very low	35.9	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-81.6	143.5	173.7	40	0	0	0	0	111.8
398	P	36.3	Very low	36	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70	157.6	164.3	-14	29.7	0	0	0	111.4
399	Q	35	Very low	35.6	Very low	203 Å²	203	136.8 Å²	136.8	95%	0.949	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-96.1	129.7	175.7	-64.5	171.3	-70.1	0	0	110.1
400	G	30	Very low	35.3	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	75%	0.754	S	S	*	*			trans	-166.7	81	-176.3	0	0	0	0	0	115.4
401	S	31.7	Very low	35	Very low	120 Å²	120	145 Å²	145	84%	0.839	79%	0.785	S	S	*	*			trans	45.7	127.3	150.1	58.1	0	0	0	0	123.3
402	A	32.1	Very low	35.3	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	80%	0.802	S	S	*	*			trans	86.4	105.1	135.9	0	0	0	0	0	122.4
403	E	32.7	Very low	35.9	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	79%	0.792	S	S	*	*			trans	64	130.9	131.5	-59	-166.2	162.3	0	0	124.7
404	S	31.3	Very low	36.7	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	77%	0.771	S	S	*	*			trans	104.2	102.2	143.9	74.5	0	0	0	0	120.5
405	T	33.1	Very low	38.5	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	75%	0.747	S	S	*	*			trans	29.6	121.6	140.5	55.6	0	0	0	0	119
406	S	31.7	Very low	40.7	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	74%	0.738	S	S	*	*				170.9	168.7	73.2	48.8	0	0	0	0	113.6
407	S	32.7	Very low	43.4	Very low	112 Å²	112	118.9 Å²	118.9	78%	0.783	70%	0.698	S	S	*	*			trans	72.5	134.6	166.3	71.3	0	0	0	0	119.2
408	D	42.9	Very low	46.1	Very low	164 Å²	164	117.5 Å²	117.5	88%	0.877	69%	0.685	S	S	*	*			trans	-78.8	128.4	176.8	-49.8	-85.8	0	0	0	112.3
409	K	37.3	Very low	48.6	Very low	185 Å²	185	111.7 Å²	111.7	80%	0.804	65%	0.647	S	S	*	*			trans	-144.1	138	143.9	-70.5	-166.4	179.9	178.3	0	108.8	D411	K409-D411 PolarHBondContact O-N 2.84Å
410	D	38.9	Very low	51.2	Low	170 Å²	170	107.2 Å²	107.2	91%	0.909	62%	0.622	S	S	*	*			trans	-74	104.2	164.7	-66.1	-67.5	0	0	0	108.2	D412	D410-D412 PolarHBondContact O-N 2.86Å
411	D	39.3	Very low	54.1	Low	148 Å²	148	104.3 Å²	104.3	79%	0.791	59%	0.59	S	S	*	*			trans	-75	112.5	169.8	-81.5	-28	0	0	0	109.4	K409 E413	K409-D411 PolarHBondContact O-N 2.84Å; D411-E413 PolarHBondContact O-N 3.45Å
412	D	48.9	Very low	56.6	Low	118 Å²	118	101.1 Å²	101.1	63%	0.631	56%	0.563	S	S	*	*			trans	-64.2	83.3	165.5	-102.1	-46.4	0	0	0	109.1	D410 A414	D410-D412 PolarHBondContact O-N 2.86Å; D412-A414 VanDerWaalsContact C-N 3.32Å; D412-A414 PolarHBondContact O-N 3.24Å
413	E	53.3	Low	58.9	Low	137 Å²	137	99 Å²	99	64%	0.64	54%	0.535	S	S	*	.			trans	-65.3	89.9	-178.2	-166.8	-178.2	-158.6	0	0	110.6	K395 D411 T415	K395-E413 IonicContact NZ-OE1 2.78Å; K395-E413 PolarHBondContact NZ-OE1 2.83Å; D411-E413 PolarHBondContact O-N 3.45Å; E413-T415 PolarHBondContact O-N 3.29Å
414	A	57.9	Low	60.3	Low	26 Å²	26	95.1 Å²	95.1	22%	0.215	53%	0.526	C	S	.	.			trans	-54.1	132.5	176.2	0	0	0	0	0	110.4	H329 Q331 D412	H329-A414 WeakPolarHBondContact CE1-CB 3.45Å; Q331-A414 HydrophobicContact CG-CB 3.6Å; D412-A414 VanDerWaalsContact C-N 3.32Å; D412-A414 PolarHBondContact O-N 3.24Å
415	T	72	Confident	61.5	Low	66 Å²	66	93.8 Å²	93.8	41%	0.405	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.7	-175.9	-41.2	0	0	0	0	110.8	Q330 E413 Y417	Q330-T415 PolarHBondContact N-O 2.94Å; Q330-T415 PolarHBondContact O-N 2.85Å; E413-T415 PolarHBondContact O-N 3.29Å; T415-Y417 HydrophobicContact CG2-CD2 4.46Å; T415-Y417 HydrophobicContact CG2-CE1 4.15Å; T415-Y417 HydrophobicContact CG2-CE2 3.63Å; T415-Y417 VanDerWaalsContact CG2-CZ 3.44Å; T415-Y417 VanDerWaalsContact CG2-OH 3.31Å; T415-Y417 WeakPolarHBondContact CG2-OH 3.36Å; T415-Y417 WeakPolarHBondContact O-CD2 3.4Å; T415-Y417 WeakPolarHBondContact O-CE2 3.25Å
416	D	80	Confident	62.4	Low	104 Å²	104	92.5 Å²	92.5	56%	0.556	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.8	171.7	-68.6	-53	0	0	0	112	H329	H329-D416 IonicContact CE1-OD1 3.21Å; H329-D416 IonicContact CG-OD1 2.61Å; H329-D416 IonicContact ND1-OD1 3.89Å; H329-D416 PolarHBondContact ND1-OD1 2.75Å; H329-D416 IonicContact ND1-OD2 2.7Å
417	Y	83	Confident	62.7	Low	25 Å²	25	96.8 Å²	96.8	10%	0.098	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.6	171.6	-55.4	-91.3	0	0	0	109.1	C328 Q330 F390 T415 F419	C328-Y417 PolarHBondContact N-O 2.91Å; C328-Y417 PolarHBondContact O-N 3.36Å; Q330-Y417 HydrophobicContact CB-CE2 4.45Å; F390-Y417 HydrophobicContact CB-CE1 3.7Å; F390-Y417 VanDerWaalsContact CB-OH 3.23Å; F390-Y417 WeakPolarHBondContact CB-OH 3.46Å; F390-Y417 AromaticContact CD1-CD1 3.88Å; F390-Y417 HydrophobicContact CD1-CD1 3.88Å; F390-Y417 HydrophobicContact CD1-CD2 4.08Å; F390-Y417 AromaticContact CD1-CE1 3.6Å; F390-Y417 HydrophobicContact CD1-CE1 3.6Å; F390-Y417 AromaticContact CD1-CE2 3.82Å; F390-Y417 HydrophobicContact CD1-CE2 3.82Å; F390-Y417 HydrophobicContact CD1-CG 4.11Å; F390-Y417 AromaticContact CD1-CZ 3.57Å; F390-Y417 HydrophobicContact CD2-CE2 4.5Å; F390-Y417 HydrophobicContact CE1-CD1 4.45Å; F390-Y417 HydrophobicContact CE1-CD2 4.03Å; F390-Y417 HydrophobicContact CE1-CE1 4.47Å; F390-Y417 HydrophobicContact CE1-CE2 4.05Å; F390-Y417 HydrophobicContact CE1-CG 4.24Å; F390-Y417 AromaticContact CG-CE1 3.92Å; F390-Y417 HydrophobicContact CG-CE1 3.92Å; F390-Y417 HydrophobicContact CG-CE2 4.07Å; F390-Y417 AromaticContact CG-CZ 3.59Å; F390-Y417 HydrophobicContact CZ-CE2 4.48Å; T415-Y417 HydrophobicContact CG2-CD2 4.46Å; T415-Y417 HydrophobicContact CG2-CE1 4.15Å; T415-Y417 HydrophobicContact CG2-CE2 3.63Å; T415-Y417 VanDerWaalsContact CG2-CZ 3.44Å; T415-Y417 VanDerWaalsContact CG2-OH 3.31Å; T415-Y417 WeakPolarHBondContact CG2-OH 3.36Å; T415-Y417 WeakPolarHBondContact O-CD2 3.4Å; T415-Y417 WeakPolarHBondContact O-CE2 3.25Å; Y417-F419 HydrophobicContact CG-CZ 4.47Å
418	V	86.8	Confident	62.9	Low	71 Å²	71	96.4 Å²	96.4	43%	0.43	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.4	171.8	175	0	0	0	0	108	Y325 L326	Y325-V418 HydrophobicContact CD1-CG1 4.22Å; L326-V418 WeakPolarHBondContact O-CA 3.44Å
419	F	90.6	Very high	62.6	Low	3 Å²	3	96.7 Å²	96.7	1%	0.013	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.8	175	-58.4	-80.9	0	0	0	109.1	Y325 L326 C328 L363 L376 D377 P378 L380 F390 Y417	Y325-F419 CarbonylContact C-O 3.59Å; Y325-F419 VanDerWaalsContact CA-O 3.29Å; Y325-F419 WeakPolarHBondContact CA-O 3.48Å; L326-F419 HydrophobicContact CB-CB 4.47Å; L326-F419 HydrophobicContact CD1-CB 4.31Å; L326-F419 PolarHBondContact N-O 2.91Å; L326-F419 PolarHBondContact O-N 3.49Å; C328-F419 HydrophobicContact CB-CD2 4.46Å; C328-F419 HydrophobicContact CB-CE2 4.18Å; L363-F419 HydrophobicContact CD1-CE2 3.89Å; L363-F419 HydrophobicContact CD1-CZ 4.5Å; L376-F419 HydrophobicContact CB-CB 4.49Å; L376-F419 HydrophobicContact CB-CD1 4.41Å; L376-F419 HydrophobicContact CD1-CD1 4.48Å; L376-F419 HydrophobicContact CD1-CG 4.47Å; L376-F419 HydrophobicContact CD2-CB 4.38Å; D377-F419 WeakPolarHBondContact O-CA 3.35Å; P378-F419 VanDerWaalsContact O-CD1 3.29Å; P378-F419 WeakPolarHBondContact O-CD1 3.16Å; P378-F419 WeakPolarHBondContact O-CE1 3.5Å; L380-F419 HydrophobicContact CD2-CE1 3.64Å; L380-F419 HydrophobicContact CD2-CE2 4.41Å; L380-F419 HydrophobicContact CD2-CZ 3.54Å; L380-F419 HydrophobicContact CG-CE1 4.43Å; F390-F419 HydrophobicContact CE1-CZ 4.36Å; Y417-F419 HydrophobicContact CG-CZ 4.47Å
420	R	89.1	Confident	62.3	Low	109 Å²	109	97.7 Å²	97.7	41%	0.411	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.4	166.8	-173.9	-179.7	179.2	177	3.2	109.4	V324 Y325 L376 D377 I422	V324-R420 HydrophobicContact CG1-CG 4.42Å; V324-R420 CarbonylContact O-C 3.52Å; V324-R420 VanDerWaalsContact O-CA 3.31Å; V324-R420 WeakPolarHBondContact O-CA 3.36Å; Y325-R420 HydrophobicContact CD1-CB 3.9Å; Y325-R420 HydrophobicContact CD1-CG 4.14Å; Y325-R420 HydrophobicContact CE1-CB 3.83Å; Y325-R420 HydrophobicContact CE1-CG 3.82Å; L376-R420 CarbonylContact C-O 3.6Å; L376-R420 WeakPolarHBondContact CA-O 3.42Å; D377-R420 HydrophobicContact CB-CB 4.46Å; D377-R420 PolarHBondContact N-O 3.34Å; D377-R420 PolarHBondContact O-N 2.74Å; R420-I422 HydrophobicContact CG-CG1 4.15Å
421	I	89.9	Confident	61.8	Low	8 Å²	8	95.9 Å²	95.9	4%	0.041	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.5	165	-49.1	-171.8	0	0	0	108.4	L320 I323 V324 L326 L370 L376 Y423	L320-I421 HydrophobicContact CD1-CD1 4.11Å; I323-I421 HydrophobicContact CB-CD1 4.09Å; I323-I421 HydrophobicContact CG2-CD1 3.94Å; V324-I421 PolarHBondContact O-N 3.5Å; L326-I421 HydrophobicContact CD1-CD1 3.89Å; L326-I421 HydrophobicContact CD1-CG1 3.6Å; L370-I421 HydrophobicContact CD1-CG2 3.99Å; L370-I421 HydrophobicContact CD2-CG2 3.92Å; L376-I421 HydrophobicContact CD2-CG1 4.13Å; I421-Y423 HydrophobicContact CB-CE2 4.39Å; I421-Y423 HydrophobicContact CG2-CD2 4.13Å; I421-Y423 HydrophobicContact CG2-CE1 4.3Å; I421-Y423 HydrophobicContact CG2-CE2 3.47Å; I421-Y423 VanDerWaalsContact CG2-CE2 3.47Å
422	I	83.8	Confident	61.2	Low	53 Å²	53	92.8 Å²	92.8	27%	0.272	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.7	177.4	-57	-176.2	0	0	0	109.4	G374 Q375 D377 R420	G374-I422 CarbonylContact C-O 3.12Å; G374-I422 WeakPolarHBondContact CA-O 3.32Å; Q375-I422 HydrophobicContact CG-CB 4.39Å; Q375-I422 PolarHBondContact N-O 3.34Å; Q375-I422 PolarHBondContact O-N 3.29Å; D377-I422 HydrophobicContact CB-CD1 3.54Å; D377-I422 HydrophobicContact CB-CG1 4.18Å; R420-I422 HydrophobicContact CG-CG1 4.15Å
423	Y	82.1	Confident	60.3	Low	47 Å²	47	93 Å²	93	18%	0.184	52%	0.519	C	S	.	.			trans	-110	131.9	172.5	-60	-81.5	0	0	0	109.8	L320 E321 L370 H373 I421 G425 M426	L320-Y423 PolarHBondContact O-OH 3.02Å; E321-Y423 PolarHBondContact N-OH 3.28Å; L370-Y423 HydrophobicContact CD2-CE1 3.66Å; L370-Y423 WeakPolarHBondContact CD2-OH 3.41Å; H373-Y423 WeakPolarHBondContact O-CD1 3.45Å; I421-Y423 HydrophobicContact CB-CE2 4.39Å; I421-Y423 HydrophobicContact CG2-CD2 4.13Å; I421-Y423 HydrophobicContact CG2-CE1 4.3Å; I421-Y423 HydrophobicContact CG2-CE2 3.47Å; I421-Y423 VanDerWaalsContact CG2-CE2 3.47Å; Y423-G425 PolarHBondContact O-N 3.16Å; Y423-M426 HydrophobicContact CD2-SD 3.8Å; Y423-M426 HydrophobicContact CG-SD 4.4Å; Y423-M426 PolarHBondContact O-N 2.89Å; Y423-M426 VanDerWaalsContact O-N 3.12Å
424	P	62.1	Low	59.1	Low	105 Å²	105	94.1 Å²	94.1	68%	0.682	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	126.7	174.1	-20.1	33.7	0	0	0	110.6	H373	H373-P424 WeakPolarHBondContact O-CD 3.35Å
425	G	56.4	Low	57.6	Low	79 Å²	79	102.5 Å²	102.5	81%	0.814	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.6	-31.4	-171.7	0	0	0	0	0	113.1	Y423 Q427	Y423-G425 PolarHBondContact O-N 3.16Å; G425-Q427 PolarHBondContact O-N 3.02Å
426	M	50.7	Low	55.5	Low	103 Å²	103	107.6 Å²	107.6	51%	0.507	59%	0.586	S	S	.	*			trans	-81.1	63.6	174.2	-66.5	-172.3	78.3	0	0	112.3	Y423	Y423-M426 HydrophobicContact CD2-SD 3.8Å; Y423-M426 HydrophobicContact CG-SD 4.4Å; Y423-M426 PolarHBondContact O-N 2.89Å; Y423-M426 VanDerWaalsContact O-N 3.12Å
427	Q	38.7	Very low	52.8	Low	199 Å²	199	106.2 Å²	106.2	93%	0.93	60%	0.596	S	S	*	*			trans	-102.8	94.2	152.5	-72.6	-158.9	27.1	0	0	108.6	G425	G425-Q427 PolarHBondContact O-N 3.02Å
428	S	36.9	Very low	50.1	Low	105 Å²	105	109.6 Å²	109.6	73%	0.734	62%	0.623	S	S	*	*			trans	-126.6	156.8	161.7	-164.3	0	0	0	0	110.6
429	E	35.8	Very low	47.1	Very low	169 Å²	169	112 Å²	112	79%	0.79	64%	0.638	S	S	*	*			trans	-49.8	121.9	-173.2	-57.4	168.5	130.4	0	0	113.4
430	F	31.2	Very low	43.9	Very low	207 Å²	207	116.9 Å²	116.9	91%	0.908	67%	0.673	S	S	*	*			trans	-140.6	99.8	149.9	-105.7	-79.5	0	0	0	109
431	V	28.3	Very low	40.8	Very low	131 Å²	131	117.6 Å²	117.6	79%	0.794	69%	0.694	S	S	*	*			trans	-82.3	121.7	175.8	176	0	0	0	0	108.7
432	A	26.5	Very low	37.7	Very low	84 Å²	84	123.4 Å²	123.4	69%	0.694	73%	0.73	S	S	*	*			trans	-77.2	128.7	166.3	0	0	0	0	0	109.4	D434	A432-D434 PolarHBondContact O-N 2.92Å
433	P	31.1	Very low	34.9	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	75%	0.754	S	S	*	*			trans	-83.6	101	-178.4	31.9	-33.2	0	0	0	111.4
434	D	27.2	Very low	32.1	Very low	162 Å²	162	130.3 Å²	130.3	87%	0.866	78%	0.784	S	S	*	*			trans	-96.5	144.6	169	-107	-40.6	0	0	0	111.9	A432	A432-D434 PolarHBondContact O-N 2.92Å
435	F	26.4	Very low	30.3	Very low	202 Å²	202	128.2 Å²	128.2	89%	0.886	78%	0.782	S	S	*	*			trans	-77.9	157.8	-161.5	-101.5	-110.5	0	0	0	115.7	G437	F435-G437 PolarHBondContact O-N 3.1Å
436	L	28.3	Very low	29.5	Very low	172 Å²	172	130.2 Å²	130.2	90%	0.901	78%	0.781	S	S	*	*			trans	-54.7	113.7	173.7	-97.9	157.1	0	0	0	113.4
437	G	24.3	Very low	28.2	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	79%	0.794	S	S	*	*			trans	-132	79.6	164.6	0	0	0	0	0	110.5	F435	F435-G437 PolarHBondContact O-N 3.1Å
438	S	25.7	Very low	27.6	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	79%	0.79	S	S	*	*			trans	-63.1	138.6	-173.5	53.6	0	0	0	0	112.6
439	T	22.9	Very low	26.9	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	79%	0.788	S	S	*	*				-178	151	79.7	30.5	0	0	0	0	111.9
440	S	23.7	Very low	26.3	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	79%	0.788	S	S	*	*			trans	28.1	131	153.3	62.5	0	0	0	0	120.5
441	S	24.8	Very low	26	Very low	123 Å²	123	128.2 Å²	128.2	86%	0.86	78%	0.779	S	S	*	*				-173.1	-168.7	55.7	48.2	0	0	0	0	112.3
442	V	24.3	Very low	25.9	Very low	130 Å²	130	127.9 Å²	127.9	79%	0.788	78%	0.78	S	S	*	*			trans	-121	144.7	-154.4	168.4	0	0	0	0	115.1
443	S	24.4	Very low	25.8	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	79%	0.787	S	S	*	*			trans	70	157.4	165.9	76.2	0	0	0	0	117.3
444	V	24.8	Very low	25.5	Very low	135 Å²	135	126.9 Å²	126.9	82%	0.818	79%	0.79	S	S	*	*			cis	-137.9	164.6	11	-171.2	0	0	0	0	109.7
445	G	23.6	Very low	25.5	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	79%	0.792	S	S	*	*			trans	-77.8	-161.4	166.8	0	0	0	0	0	114.3
446	P	39.4	Very low	25.3	Very low	121 Å²	121	127 Å²	127	79%	0.786	79%	0.792	S	S	*	*			cis	-139.5	176.9	10.2	43.7	-25.9	0	0	0	117.5
447	A	24.5	Very low	24.9	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	78%	0.784	S	S	*	*			trans	35.9	112.5	146.5	0	0	0	0	0	123.5
448	W	24.8	Very low	24.7	Very low	225 Å²	225	130.5 Å²	130.5	85%	0.852	79%	0.79	S	S	*	*			trans	-170.2	157	138.6	61.2	-70.6	0	0	0	109.4
449	M	23.6	Very low	24.6	Very low	137 Å²	137	131.4 Å²	131.4	68%	0.675	79%	0.791	S	S	*	*			cis	-163.4	159.1	4.2	-138.6	179.5	-106.1	0	0	115.8
450	M	22.4	Very low	24.6	Very low	161 Å²	161	132.2 Å²	132.2	79%	0.793	80%	0.795	S	S	*	*			trans	57.7	103.6	141.2	-91.3	174.9	-178.3	0	0	123.2
451	V	24	Very low	24.5	Very low	121 Å²	121	131.5 Å²	131.5	73%	0.733	80%	0.796	S	S	*	*				-54.5	139.4	128.8	173.7	0	0	0	0	111.1	A453	V451-A453 PolarHBondContact O-N 3.5Å
452	P	27.3	Very low	24.5	Very low	125 Å²	125	138 Å²	138	81%	0.812	80%	0.802	S	S	*	*			trans	-82.7	103.1	168.6	32	-32.1	0	0	0	111.6
453	A	24.8	Very low	24.5	Very low	101 Å²	101	135.2 Å²	135.2	84%	0.835	80%	0.799	S	S	*	*			trans	-94	102.5	177.3	0	0	0	0	0	112.3	V451	V451-A453 PolarHBondContact O-N 3.5Å
454	G	23.9	Very low	24.5	Very low	83 Å²	83	134.8 Å²	134.8	86%	0.856	80%	0.796	S	S	*	*			trans	-105.8	89.3	175.1	0	0	0	0	0	113
455	R	27.9	Very low	24.8	Very low	241 Å²	241	137 Å²	137	91%	0.909	80%	0.797	S	S	*	*			trans	-90.4	137.4	167.3	-89.5	-173.5	173.7	-178.4	-0.5	110.9
456	S	21.8	Very low	24.8	Very low	124 Å²	124	145 Å²	145	87%	0.867	81%	0.809	S	S	*	*			trans	-139.4	147.5	136.8	-165.9	0	0	0	0	108.9
457	M	20.4	Very low	23.9	Very low	150 Å²	150	147.5 Å²	147.5	74%	0.739	81%	0.81	S	S	*	*			trans	-87.5	144.3	-172.4	-81.1	175	-84.5	0	0	112.3	V459	M457-V459 HydrophobicContact CB-CG2 4.46Å; M457-V459 HydrophobicContact SD-CG2 4.41Å
458	L	20.8	Very low	24.1	Very low	171 Å²	171	148.8 Å²	148.8	90%	0.895	81%	0.81	S	S	*	*			trans	-116.8	133.1	134.7	-151.7	80	0	0	0	107.7
459	V	23.1	Very low	24	Very low	115 Å²	115	142.7 Å²	142.7	70%	0.697	81%	0.808	S	S	*	*			trans	-91.8	128	-176	176.6	0	0	0	0	109.9	M457	M457-V459 HydrophobicContact CB-CG2 4.46Å; M457-V459 HydrophobicContact SD-CG2 4.41Å
460	V	23.1	Very low	24	Very low	138 Å²	138	146 Å²	146	84%	0.836	81%	0.813	S	S	*	*			trans	-130.6	139.1	155.8	-178	0	0	0	0	107
461	A	21	Very low	24.1	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	81%	0.814	S	S	*	*			trans	-78	154.5	-167.3	0	0	0	0	0	113.8
462	R	24.3	Very low	24	Very low	260 Å²	260	148.6 Å²	148.6	98%	0.981	81%	0.81	S	S	*	*			trans	-81.6	119.3	170	-166.9	-174.5	-162.4	-164.7	6	108.7
463	G	25	Very low	23.9	Very low	71 Å²	71	148.5 Å²	148.5	73%	0.732	81%	0.807	S	S	*	*			trans	166.1	74.7	176.6	0	0	0	0	0	117.4
464	S	23.8	Very low	23.9	Very low	102 Å²	102	149.7 Å²	149.7	71%	0.713	80%	0.804	S	S	*	*			trans	-175	143.7	148.2	22.2	0	0	0	0	110.1
465	Q	31	Very low	24.1	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	81%	0.808	S	S	*	*			trans	-71.3	144.1	168.2	-71.5	161.6	-81.3	0	0	110.2
466	W	23	Very low	24.2	Very low	232 Å²	232	148.6 Å²	148.6	88%	0.879	80%	0.802	S	S	*	*			trans	-135.5	120.2	161.9	-74.2	70.2	0	0	0	106.8
467	E	21.8	Very low	24.3	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	80%	0.802	S	S	*	*			trans	-82.3	156	-176.9	-62.4	-173.2	143.8	0	0	112	A469	E467-A469 PolarHBondContact O-N 2.93Å
468	P	27.9	Very low	24.8	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	80%	0.8	S	S	*	*			trans	-68.6	115.4	165.9	-11.5	27.6	0	0	0	109.8	R470	P468-R470 PolarHBondContact O-N 2.95Å
469	A	23.8	Very low	24.9	Very low	97 Å²	97	144.7 Å²	144.7	80%	0.802	80%	0.795	S	S	*	*			trans	-68.5	116.8	175.6	0	0	0	0	0	110.7	E467	E467-A469 PolarHBondContact O-N 2.93Å
470	R	23.1	Very low	25.2	Very low	207 Å²	207	144.4 Å²	144.4	78%	0.781	80%	0.796	S	S	*	*			trans	-63.2	142.7	169.9	-65.6	-175.3	-179.8	-165.2	-0.9	110.7	P468 D472	P468-R470 PolarHBondContact O-N 2.95Å; R470-D472 WeakPolarHBondContact CD-OD2 3.48Å
471	W	25	Very low	25.4	Very low	218 Å²	218	147.3 Å²	147.3	83%	0.826	80%	0.797	S	S	*	*			trans	-105.5	69.2	167.8	53.2	-84.6	0	0	0	110	T473	W471-T473 HydrophobicContact CE3-CG2 4.34Å; W471-T473 PolarHBondContact O-N 3.12Å
472	D	22.3	Very low	25.4	Very low	118 Å²	118	152 Å²	152	63%	0.631	80%	0.803	S	S	*	*			trans	-68.6	93.1	177.3	-74.2	-57.6	0	0	0	111.1	R470 T474	R470-D472 WeakPolarHBondContact CD-OD2 3.48Å; D472-T474 PolarHBondContact O-N 3.28Å
473	T	25.3	Very low	25.3	Very low	123 Å²	123	148.3 Å²	148.3	76%	0.755	80%	0.797	S	S	*	*			trans	-72.6	89.2	175.6	31.5	0	0	0	0	111.9	W471	W471-T473 HydrophobicContact CE3-CG2 4.34Å; W471-T473 PolarHBondContact O-N 3.12Å
474	T	24.4	Very low	26.2	Very low	125 Å²	125	150 Å²	150	77%	0.767	80%	0.795	S	S	*	*			trans	-119	140.8	166	50.9	0	0	0	0	111.1	D472	D472-T474 PolarHBondContact O-N 3.28Å
475	L	28.2	Very low	26.2	Very low	179 Å²	179	151 Å²	151	94%	0.937	80%	0.8	S	S	*	*			trans	-96.5	128.7	-176.2	-75.5	164.6	0	0	0	111.3
476	P	29	Very low	26	Very low	123 Å²	123	150.5 Å²	150.5	80%	0.799	80%	0.799	S	S	*	*			trans	-108	134.8	170.7	34.9	-27.5	0	0	0	113.7
477	T	23.6	Very low	26.7	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	79%	0.789	S	S	*	*			trans	-85	166.1	168.2	26.5	0	0	0	0	112.3
478	P	32.5	Very low	26.7	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	79%	0.787	S	S	*	*			trans	-104.5	152.5	-155.7	37.6	-35.6	0	0	0	118.3
479	S	21	Very low	26.5	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	78%	0.779	S	S	*	*			trans	79.6	162	151.8	85	0	0	0	0	119
480	P	31.3	Very low	26.6	Very low	109 Å²	109	145.2 Å²	145.2	71%	0.708	77%	0.773	S	S	*	*			cis	-133.6	154.3	-11	35.5	-17.3	0	0	0	117.4
481	K	25.9	Very low	26.7	Very low	199 Å²	199	143.2 Å²	143.2	87%	0.865	78%	0.775	S	S	*	*			trans	38.3	132.8	146.6	-62.9	-179.6	177.1	-179.3	0	123.3
482	E	22.4	Very low	26.6	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	77%	0.77	S	S	*	*				-163.8	173	115.4	-114.9	173.5	-164.1	0	0	113.9
483	Q	21.5	Very low	26.7	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	77%	0.774	S	S	*	*			trans	-158.8	179.5	-176.4	-62.6	-173.1	-53.1	0	0	110.1
484	P	43.3	Very low	26.7	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	78%	0.775	S	S	*	*				-117	-160.6	-66.1	36.8	-19.3	0	0	0	110.4
485	P	24.8	Very low	26.9	Very low	124 Å²	124	140 Å²	140	81%	0.805	78%	0.782	S	S	*	*				-148	170.5	103.4	37.2	-20.1	0	0	0	116.7
486	M	25.3	Very low	26.7	Very low	169 Å²	169	135.8 Å²	135.8	83%	0.833	77%	0.768	S	S	*	*			trans	-117	-166.1	167.7	-59.2	-154.8	-50	0	0	108.3
487	P	37.6	Very low	26.5	Very low	102 Å²	102	136.7 Å²	136.7	66%	0.662	77%	0.766	S	S	*	*			cis	-146.7	-151.6	8	41.3	-16.1	0	0	0	116.6
488	Q	23.4	Very low	26.7	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	77%	0.767	S	S	*	*			trans	93.1	137.9	165.8	-50.7	-163.4	-97.1	0	0	117.9
489	D	24	Very low	26.5	Very low	118 Å²	118	138.4 Å²	138.4	63%	0.631	77%	0.769	S	S	*	*			cis	-172.6	161	-17.1	-97.3	-21.9	0	0	0	108.3
490	L	25.5	Very low	26.8	Very low	131 Å²	131	138.7 Å²	138.7	69%	0.686	77%	0.771	S	S	*	*			cis	-169.6	128.9	-28.8	-165.2	81.5	0	0	0	109.9
491	M	24.3	Very low	26.6	Very low	165 Å²	165	140.4 Å²	140.4	81%	0.813	77%	0.774	S	S	*	*			trans	66.2	161.5	175.4	-45.1	-144	-175.9	0	0	115.2
492	D	23.7	Very low	26.5	Very low	136 Å²	136	142 Å²	142	73%	0.727	77%	0.774	S	S	*	*			cis	-154	153.8	23.9	-156.1	15.9	0	0	0	116.1
493	V	24.4	Very low	26.7	Very low	116 Å²	116	141.9 Å²	141.9	70%	0.703	77%	0.774	S	S	*	*			trans	48.9	137.7	155.3	160.9	0	0	0	0	124.6
494	S	23.8	Very low	27.1	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	77%	0.77	S	S	*	*			trans	92.7	132.8	153.4	72.6	0	0	0	0	120.5
495	V	29.3	Very low	26.1	Very low	153 Å²	153	139.4 Å²	139.4	93%	0.927	78%	0.777	S	S	*	*			trans	-114	117.7	-175.7	176.7	0	0	0	0	109.9
496	S	23.3	Very low	26.7	Very low	90 Å²	90	139 Å²	139	63%	0.629	77%	0.774	S	S	*	*			trans	-160.4	150.4	167.5	60.3	0	0	0	0	112.3
497	N	26.6	Very low	26.8	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	78%	0.78	S	S	*	*			trans	78.3	89.8	165.4	-46.8	-36	0	0	0	118.2
498	L	26.7	Very low	26.3	Very low	168 Å²	168	147.5 Å²	147.5	88%	0.88	79%	0.789	S	S	*	*				-163	165.6	101.6	-112.9	79.4	0	0	0	108.3
499	P	29.4	Very low	26.9	Very low	116 Å²	116	144.9 Å²	144.9	75%	0.753	79%	0.788	S	S	*	*			trans	-102	134.8	-144.8	1.3	21	0	0	0	115.1
500	S	26.6	Very low	27.1	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	80%	0.802	S	S	*	*			trans	-75.2	136.8	161.1	57.5	0	0	0	0	111.5
501	L	26.2	Very low	27.3	Very low	144 Å²	144	145.5 Å²	145.5	75%	0.754	81%	0.811	S	S	*	*			trans	-132.8	143.8	169.9	-126	151.7	0	0	0	109.5
502	W	25.2	Very low	27.5	Very low	233 Å²	233	142.7 Å²	142.7	88%	0.883	81%	0.808	S	S	*	*			trans	74.6	60.8	-177.7	-56.2	98.1	0	0	0	118.2
503	Q	25.6	Very low	27.8	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	81%	0.811	S	S	*	*			trans	-121.9	130.3	136.5	-76.6	-163.1	0.3	0	0	110.4
504	P	29.3	Very low	28	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	82%	0.819	S	S	*	*			trans	-91.4	135.6	174.6	34.1	-31.3	0	0	0	111.8
505	S	23.1	Very low	28.4	Very low	118 Å²	118	143 Å²	143	83%	0.825	83%	0.825	S	S	*	*			trans	-151.8	154	164.6	-88.2	0	0	0	0	111.8
506	P	38.1	Very low	28.7	Very low	114 Å²	114	145 Å²	145	74%	0.74	82%	0.824	S	S	*	*			trans	-101.9	149.8	-154.4	37.2	-35	0	0	0	114.9
507	R	26.6	Very low	29.1	Very low	257 Å²	257	146.9 Å²	146.9	97%	0.97	84%	0.837	S	S	*	*			trans	-159.5	173.4	153.5	-107.5	142.9	-156.2	-121.7	3.5	112.9
508	K	27.5	Very low	29.2	Very low	194 Å²	194	144 Å²	144	84%	0.843	84%	0.841	S	S	*	*			trans	-100.9	147.3	-160	-58.6	176.4	177.9	179.3	0	113.2
509	S	35.8	Very low	29.3	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	84%	0.839	S	S	*	*			trans	16.4	127.8	147	61.1	0	0	0	0	120.6
510	S	28.9	Very low	29.7	Very low	131 Å²	131	139.9 Å²	139.9	92%	0.916	83%	0.834	S	S	*	*			trans	-149.3	149.2	137	-76.2	0	0	0	0	108.5
511	C	30	Very low	29.9	Very low	131 Å²	131	142.1 Å²	142.1	89%	0.885	84%	0.836	S	S	*	*			trans	-141.5	136.5	-171.8	-179.6	0	0	0	0	110.9
512	S	28.6	Very low	30.7	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	84%	0.838	S	S	*	*			trans	-167.5	111.9	167.9	53.9	0	0	0	0	111.5
513	S	30.1	Very low	31	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	84%	0.836	S	S	*	*				161.8	103.9	122	-80.5	0	0	0	0	113.8
514	C	27.7	Very low	31.9	Very low	131 Å²	131	129.8 Å²	129.8	89%	0.885	83%	0.831	S	S	*	*			trans	2.1	129.8	151.4	-52	0	0	0	0	121.3
515	S	33	Very low	32.1	Very low	127 Å²	127	130.7 Å²	130.7	89%	0.888	83%	0.834	S	S	*	*			trans	-146	159.2	133.8	55.8	0	0	0	0	110
516	Q	34.3	Very low	32.9	Very low	195 Å²	195	133.6 Å²	133.6	91%	0.911	84%	0.84	S	S	*	*			trans	-111	134.9	-163.3	-64	172.9	-18.4	0	0	113.8
517	S	31.4	Very low	32.9	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	84%	0.843	S	S	*	*			trans	-177.2	139.3	139.7	56	0	0	0	0	108.6
518	G	30	Very low	33.4	Very low	83 Å²	83	124.9 Å²	124.9	86%	0.856	83%	0.832	S	S	*	*			trans	-130.2	159.2	-170.1	0	0	0	0	0	115.9
519	S	27.8	Very low	33.8	Very low	121 Å²	121	123.1 Å²	123.1	85%	0.846	83%	0.832	S	S	*	*			trans	-159.8	157.5	156.5	-177.5	0	0	0	0	108.7
520	A	38	Very low	33.9	Very low	77 Å²	77	126 Å²	126	64%	0.636	83%	0.833	S	S	*	*			trans	-66.6	158.8	159.1	0	0	0	0	0	109.3
521	D	32.1	Very low	34.5	Very low	167 Å²	167	127.8 Å²	127.8	89%	0.893	83%	0.827	S	S	*	*			cis	-141.3	176.2	35.2	-109.7	-48.9	0	0	0	114.7
522	G	42.1	Very low	35.1	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	83%	0.825	S	S	*	*			trans	-85.4	142.7	-169.5	0	0	0	0	0	117.2
523	S	30.8	Very low	36	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	82%	0.815	S	S	*	*			trans	-157.2	157.3	157.4	-171.4	0	0	0	0	110.6
524	S	45.1	Very low	37.1	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	80%	0.803	S	S	*	*			trans	-93.7	135.5	-176.4	61.5	0	0	0	0	113
525	T	34.3	Very low	38.4	Very low	138 Å²	138	127.9 Å²	127.9	85%	0.847	79%	0.789	S	S	*	*			trans	-135.5	121.7	167.2	45.8	0	0	0	0	112.8
526	N	39	Very low	39.6	Very low	178 Å²	178	128.6 Å²	128.6	95%	0.952	78%	0.776	S	S	*	*			trans	-84.6	128.1	157.1	-89.1	-39.7	0	0	0	108
527	G	38.8	Very low	40.6	Very low	77 Å²	77	124.6 Å²	124.6	79%	0.794	76%	0.76	S	S	*	*			trans	-179.7	98.1	174.7	0	0	0	0	0	116.7
528	C	35.4	Very low	41.5	Very low	111 Å²	111	123 Å²	123	75%	0.75	74%	0.741	S	S	*	*	S	Bend	trans	-173.1	79.7	143.6	-169.3	0	0	0	0	109.9
529	N	36.6	Very low	42.5	Very low	157 Å²	157	122.4 Å²	122.4	84%	0.84	72%	0.723	S	S	*	*	S	Bend	trans	-152.8	-9.6	173.6	-98	-43.7	0	0	0	115.1
530	H	37.8	Very low	43.7	Very low	168 Å²	168	119.6 Å²	119.6	78%	0.778	70%	0.699	S	S	*	*	S	Bend	trans	-82.6	-16.8	-171.3	-78.1	-71	0	0	0	115.5	P534	H530-P534 WeakPolarHBondContact O-CD 3.45Å
531	E	41.5	Very low	44.3	Very low	169 Å²	169	119.6 Å²	119.6	79%	0.79	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-19.3	-167.8	-62.6	-175.4	141.5	0	0	115.6
532	R	43.8	Very low	45.2	Very low	225 Å²	225	116.5 Å²	116.5	85%	0.849	67%	0.669	S	S	*	*	H	α-helix	trans	-83.7	-20.5	177.3	-88.7	-168.7	172.6	97.6	1.1	114.5	K536	R532-K536 PolarHBondContact O-N 2.83Å
533	A	45.9	Very low	45.7	Very low	64 Å²	64	118.8 Å²	118.8	53%	0.529	66%	0.658	S	S	.	*	H	α-helix	trans	-69.2	-44.2	179.7	0	0	0	0	0	113.3	L535 K536 L537	A533-L535 PolarHBondContact O-N 2.99Å; A533-K536 PolarHBondContact O-N 2.81Å; A533-L537 WeakPolarHBondContact O-CB 3.35Å; A533-L537 PolarHBondContact O-N 3.41Å
534	P	54.6	Low	46.5	Very low	81 Å²	81	118 Å²	118	53%	0.526	64%	0.637	S	S	.	*	H	α-helix	trans	-60.7	-43.8	178.3	-25.5	34.5	0	0	0	113.4	H530 L537 L538	H530-P534 WeakPolarHBondContact O-CD 3.45Å; P534-L537 PolarHBondContact O-N 2.8Å; P534-L538 WeakPolarHBondContact O-CB 3.38Å; P534-L538 PolarHBondContact O-N 3.11Å
535	L	54.4	Low	46.6	Very low	113 Å²	113	119 Å²	119	59%	0.592	63%	0.629	S	S	*	*	H	α-helix	trans	-67.4	-41.1	-177.8	-171.5	67.1	0	0	0	111.8	A533 L538 C539	A533-L535 PolarHBondContact O-N 2.99Å; L535-L538 HydrophobicContact CD1-CD2 4.47Å; L535-L538 PolarHBondContact O-N 2.86Å; L535-C539 PolarHBondContact O-N 3.13Å; L535-C539 PolarHBondContact O-SG 3.3Å
536	K	58.1	Low	47.7	Very low	142 Å²	142	118 Å²	118	62%	0.617	62%	0.618	S	S	*	*	H	α-helix	trans	-62.6	-46.5	173.9	-176.3	178.5	175.9	-174.1	0	111	R532 A533 L538 C539 D540	R532-K536 PolarHBondContact O-N 2.83Å; A533-K536 PolarHBondContact O-N 2.81Å; K536-L538 VanDerWaalsContact C-N 3.25Å; K536-L538 PolarHBondContact O-N 3.01Å; K536-C539 PolarHBondContact O-N 2.96Å; K536-D540 WeakPolarHBondContact CE-OD2 3.48Å; K536-D540 WeakPolarHBondContact O-CB 3.24Å; K536-D540 PolarHBondContact O-N 3.34Å
537	L	54.9	Low	48.3	Very low	111 Å²	111	113.5 Å²	113.5	58%	0.581	59%	0.593	S	S	*	*	H	α-helix	trans	-60	-36.1	177.2	-176.4	63	0	0	0	111.9	A533 P534 N541	A533-L537 WeakPolarHBondContact O-CB 3.35Å; A533-L537 PolarHBondContact O-N 3.41Å; P534-L537 PolarHBondContact O-N 2.8Å; L537-N541 WeakPolarHBondContact O-CB 3.27Å; L537-N541 PolarHBondContact O-N 3.41Å; L537-N541 PolarHBondContact O-ND2 3.24Å
538	L	50.7	Low	48.7	Very low	96 Å²	96	111.9 Å²	111.9	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-49	174	-175.7	67.8	0	0	0	111.6	P534 L535 K536 D540 N541 M542	P534-L538 WeakPolarHBondContact O-CB 3.38Å; P534-L538 PolarHBondContact O-N 3.11Å; L535-L538 HydrophobicContact CD1-CD2 4.47Å; L535-L538 PolarHBondContact O-N 2.86Å; K536-L538 VanDerWaalsContact C-N 3.25Å; K536-L538 PolarHBondContact O-N 3.01Å; L538-D540 PolarHBondContact O-N 2.83Å; L538-N541 PolarHBondContact O-N 2.97Å; L538-M542 HydrophobicContact CG-SD 4.21Å; L538-M542 WeakPolarHBondContact O-CG 3.4Å; L538-M542 PolarHBondContact O-N 2.59Å
539	C	51.8	Low	49.5	Very low	70 Å²	70	116.4 Å²	116.4	47%	0.473	57%	0.571	S	S	.	*	H	α-helix	trans	-62	-42	177.7	-66.3	0	0	0	0	112.4	L535 K536 M542 K543	L535-C539 PolarHBondContact O-N 3.13Å; L535-C539 PolarHBondContact O-SG 3.3Å; K536-C539 PolarHBondContact O-N 2.96Å; C539-M542 PolarHBondContact O-N 3.18Å; C539-K543 WeakPolarHBondContact O-CB 3.46Å; C539-K543 PolarHBondContact O-N 2.94Å
540	D	51.7	Low	50.4	Low	62 Å²	62	112 Å²	112	33%	0.332	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-43.9	175.2	-73	-31.8	0	0	0	110.4	K536 L538 K543 Y544	K536-D540 WeakPolarHBondContact CE-OD2 3.48Å; K536-D540 WeakPolarHBondContact O-CB 3.24Å; K536-D540 PolarHBondContact O-N 3.34Å; L538-D540 PolarHBondContact O-N 2.83Å; D540-K543 PolarHBondContact O-N 3.4Å; D540-Y544 HydrophobicContact CB-CE2 4.33Å; D540-Y544 WeakPolarHBondContact O-CD2 3.23Å; D540-Y544 PolarHBondContact O-N 3.44Å
541	N	51.6	Low	51.3	Low	76 Å²	76	106.2 Å²	106.2	41%	0.406	53%	0.529	S	S	.	.	H	α-helix	trans	-62	-44.6	173.9	-88.5	-74.9	0	0	0	113.2	L537 L538 K543 Y544 Q545	L537-N541 WeakPolarHBondContact O-CB 3.27Å; L537-N541 PolarHBondContact O-N 3.41Å; L537-N541 PolarHBondContact O-ND2 3.24Å; L538-N541 PolarHBondContact O-N 2.97Å; N541-K543 VanDerWaalsContact C-N 3.32Å; N541-K543 PolarHBondContact O-N 3.2Å; N541-Y544 PolarHBondContact O-N 2.68Å; N541-Q545 WeakPolarHBondContact O-CG 3.37Å; N541-Q545 PolarHBondContact O-N 2.91Å
542	M	50.5	Low	51.8	Low	103 Å²	103	103.7 Å²	103.7	51%	0.507	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-41.8	176.3	-72.5	177.4	72	0	0	111.1	L538 C539 Q545 I546	L538-M542 HydrophobicContact CG-SD 4.21Å; L538-M542 WeakPolarHBondContact O-CG 3.4Å; L538-M542 PolarHBondContact O-N 2.59Å; C539-M542 PolarHBondContact O-N 3.18Å; M542-Q545 PolarHBondContact O-N 2.98Å; M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.19Å; M542-I546 PolarHBondContact O-N 2.85Å
543	K	52.2	Low	52.2	Low	124 Å²	124	95 Å²	95	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-45.2	173.8	-177.7	180	176.1	-177.4	0	111.5	C539 D540 N541 I546 L547	C539-K543 WeakPolarHBondContact O-CB 3.46Å; C539-K543 PolarHBondContact O-N 2.94Å; D540-K543 PolarHBondContact O-N 3.4Å; N541-K543 VanDerWaalsContact C-N 3.32Å; N541-K543 PolarHBondContact O-N 3.2Å; K543-I546 PolarHBondContact O-N 3.09Å; K543-L547 HydrophobicContact CG-CD1 3.9Å; K543-L547 HydrophobicContact CG-CG 4.47Å; K543-L547 WeakPolarHBondContact O-CB 3.45Å; K543-L547 VanDerWaalsContact O-CG 3.31Å; K543-L547 WeakPolarHBondContact O-CG 3.24Å; K543-L547 PolarHBondContact O-N 3.21Å
544	Y	47.9	Very low	53.4	Low	102 Å²	102	98.7 Å²	98.7	40%	0.4	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-37.2	175.5	-67.3	-53.8	0	0	0	112.7	A179 D540 N541 S548	A179-Y544 HydrophobicContact CB-CD1 4.03Å; A179-Y544 HydrophobicContact CB-CE1 3.59Å; D540-Y544 HydrophobicContact CB-CE2 4.33Å; D540-Y544 WeakPolarHBondContact O-CD2 3.23Å; D540-Y544 PolarHBondContact O-N 3.44Å; N541-Y544 PolarHBondContact O-N 2.68Å; Y544-S548 WeakPolarHBondContact O-CB 3.46Å; Y544-S548 PolarHBondContact O-N 2.81Å; Y544-S548 PolarHBondContact O-OG 3.34Å
545	Q	47.4	Very low	53.3	Low	131 Å²	131	95.5 Å²	95.5	61%	0.612	47%	0.473	S	S	*	.	H	α-helix	trans	-67.9	-40.5	175.8	-73.9	-172.8	9.9	0	0	112.6	N541 M542 S548 R549	N541-Q545 WeakPolarHBondContact O-CG 3.37Å; N541-Q545 PolarHBondContact O-N 2.91Å; M542-Q545 PolarHBondContact O-N 2.98Å; Q545-S548 WeakPolarHBondContact CA-OG 3.47Å; Q545-S548 PolarHBondContact O-OG 3.31Å; Q545-R549 WeakPolarHBondContact O-CB 3.25Å; Q545-R549 PolarHBondContact O-N 3.16Å
546	I	57.6	Low	53.2	Low	117 Å²	117	93 Å²	93	60%	0.6	47%	0.468	S	S	*	.	H	α-helix	trans	-65.8	-50.1	175.6	-67.6	164.1	0	0	0	110.3	M542 K543 S548 R549 A550	M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.19Å; M542-I546 PolarHBondContact O-N 2.85Å; K543-I546 PolarHBondContact O-N 3.09Å; I546-S548 PolarHBondContact O-N 3.42Å; I546-R549 PolarHBondContact O-N 3.09Å; I546-A550 WeakPolarHBondContact O-CB 3.36Å; I546-A550 PolarHBondContact O-N 2.75Å
547	L	51.5	Low	53.3	Low	84 Å²	84	92.9 Å²	92.9	44%	0.44	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-42.4	179.5	-73.5	172.6	0	0	0	112.2	K543 F551	K543-L547 HydrophobicContact CG-CD1 3.9Å; K543-L547 HydrophobicContact CG-CG 4.47Å; K543-L547 WeakPolarHBondContact O-CB 3.45Å; K543-L547 VanDerWaalsContact O-CG 3.31Å; K543-L547 WeakPolarHBondContact O-CG 3.24Å; K543-L547 PolarHBondContact O-N 3.21Å; L547-F551 VanDerWaalsContact O-CB 3.24Å; L547-F551 WeakPolarHBondContact O-CB 3.43Å; L547-F551 PolarHBondContact O-N 3.05Å
548	S	47.2	Very low	53.4	Low	44 Å²	44	89.8 Å²	89.8	31%	0.308	45%	0.451	S	S	.	.	H	α-helix	trans	-69.3	-42.3	177	58.4	0	0	0	0	111.9	Y544 Q545 I546 A550 F551 Y552	Y544-S548 WeakPolarHBondContact O-CB 3.46Å; Y544-S548 PolarHBondContact O-N 2.81Å; Y544-S548 PolarHBondContact O-OG 3.34Å; Q545-S548 WeakPolarHBondContact CA-OG 3.47Å; Q545-S548 PolarHBondContact O-OG 3.31Å; I546-S548 PolarHBondContact O-N 3.42Å; S548-A550 PolarHBondContact O-N 3.47Å; S548-F551 PolarHBondContact O-N 3.28Å; S548-Y552 WeakPolarHBondContact O-CB 3.34Å; S548-Y552 WeakPolarHBondContact O-CD2 3.31Å; S548-Y552 VanDerWaalsContact O-CG 3.29Å; S548-Y552 PolarHBondContact O-N 3.09Å
549	R	52.1	Low	53.9	Low	206 Å²	206	93 Å²	93	78%	0.777	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-40	176.2	-169.9	174.5	179.6	93	-0.8	112.2	Q545 I546 G553	Q545-R549 WeakPolarHBondContact O-CB 3.25Å; Q545-R549 PolarHBondContact O-N 3.16Å; I546-R549 PolarHBondContact O-N 3.09Å; R549-G553 PolarHBondContact O-N 3.25Å
550	A	54.5	Low	54.4	Low	65 Å²	65	94 Å²	94	54%	0.537	46%	0.455	S	S	.	.	H	α-helix	trans	-64.9	-44.7	172.8	0	0	0	0	0	112	I546 S548 Y552 G553 W554	I546-A550 WeakPolarHBondContact O-CB 3.36Å; I546-A550 PolarHBondContact O-N 2.75Å; S548-A550 PolarHBondContact O-N 3.47Å; A550-Y552 PolarHBondContact O-N 3.27Å; A550-G553 PolarHBondContact O-N 2.82Å; A550-W554 WeakPolarHBondContact O-CB 3.2Å; A550-W554 PolarHBondContact O-N 3.04Å
551	F	56.6	Low	54.9	Low	45 Å²	45	93.7 Å²	93.7	20%	0.197	45%	0.453	C	S	.	.	H	α-helix	trans	-63.3	-39.3	175.8	179	-98.7	0	0	0	112.7	M26 V30 L547 S548 W554 L555	M26-F551 HydrophobicContact CB-CE1 4.07Å; M26-F551 HydrophobicContact CB-CE2 4.36Å; M26-F551 HydrophobicContact CB-CZ 3.56Å; M26-F551 HydrophobicContact CE-CD1 3.91Å; M26-F551 HydrophobicContact CE-CD2 4.19Å; M26-F551 HydrophobicContact CE-CE1 3.73Å; M26-F551 HydrophobicContact CE-CE2 4.03Å; M26-F551 HydrophobicContact CE-CG 4.14Å; M26-F551 HydrophobicContact CE-CZ 3.81Å; M26-F551 HydrophobicContact CG-CE2 4.47Å; M26-F551 HydrophobicContact CG-CZ 4.11Å; V30-F551 HydrophobicContact CG2-CE1 4.41Å; L547-F551 VanDerWaalsContact O-CB 3.24Å; L547-F551 WeakPolarHBondContact O-CB 3.43Å; L547-F551 PolarHBondContact O-N 3.05Å; S548-F551 PolarHBondContact O-N 3.28Å; F551-W554 HydrophobicContact CD2-CE3 4.04Å; F551-W554 HydrophobicContact CD2-CZ3 4.35Å; F551-W554 AromaticContact CE2-CE3 3.92Å; F551-W554 HydrophobicContact CE2-CE3 3.92Å; F551-W554 AromaticContact CE2-CZ3 3.8Å; F551-W554 HydrophobicContact CE2-CZ3 3.8Å; F551-W554 PolarHBondContact O-N 3.04Å; F551-L555 HydrophobicContact CE1-CB 4.48Å; F551-L555 HydrophobicContact CE1-CD2 3.95Å; F551-L555 HydrophobicContact CZ-CD2 4.31Å; F551-L555 WeakPolarHBondContact O-CB 3.42Å; F551-L555 PolarHBondContact O-N 3.36Å
552	Y	52.1	Low	55.5	Low	117 Å²	117	93.5 Å²	93.5	46%	0.459	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-41	175.4	-72.1	-52.8	0	0	0	112	V30 S548 A550 L555 A556	V30-Y552 HydrophobicContact CB-CE1 4.32Å; V30-Y552 HydrophobicContact CG1-CE1 3.77Å; V30-Y552 HydrophobicContact CG2-CE1 3.54Å; S548-Y552 WeakPolarHBondContact O-CB 3.34Å; S548-Y552 WeakPolarHBondContact O-CD2 3.31Å; S548-Y552 VanDerWaalsContact O-CG 3.29Å; S548-Y552 PolarHBondContact O-N 3.09Å; A550-Y552 PolarHBondContact O-N 3.27Å; Y552-L555 PolarHBondContact O-N 3.13Å; Y552-A556 WeakPolarHBondContact O-CB 3.36Å; Y552-A556 PolarHBondContact O-N 2.95Å
553	G	53.6	Low	56.3	Low	42 Å²	42	92.1 Å²	92.1	43%	0.433	46%	0.455	S	S	.	.	H	α-helix	trans	-60	-48.1	172.3	0	0	0	0	0	111.9	R549 A550 A556 Y557	R549-G553 PolarHBondContact O-N 3.25Å; A550-G553 PolarHBondContact O-N 2.82Å; G553-A556 PolarHBondContact O-N 2.99Å; G553-Y557 VanDerWaalsContact O-CB 3.31Å; G553-Y557 WeakPolarHBondContact O-CB 3.37Å; G553-Y557 PolarHBondContact O-N 3.17Å
554	W	69.8	Low	57	Low	141 Å²	141	87.1 Å²	87.1	53%	0.534	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.3	177.1	76.5	0	0	0	113.2	A550 F551 Y557 C558	A550-W554 WeakPolarHBondContact O-CB 3.2Å; A550-W554 PolarHBondContact O-N 3.04Å; F551-W554 HydrophobicContact CD2-CE3 4.04Å; F551-W554 HydrophobicContact CD2-CZ3 4.35Å; F551-W554 AromaticContact CE2-CE3 3.92Å; F551-W554 HydrophobicContact CE2-CE3 3.92Å; F551-W554 AromaticContact CE2-CZ3 3.8Å; F551-W554 HydrophobicContact CE2-CZ3 3.8Å; F551-W554 PolarHBondContact O-N 3.04Å; W554-Y557 PolarHBondContact O-N 3.28Å; W554-C558 VanDerWaalsContact CE2-SG 3.5Å; W554-C558 WeakPolarHBondContact O-CB 3.47Å; W554-C558 PolarHBondContact O-N 2.94Å; W554-C558 PolarHBondContact O-SG 2.82Å
555	L	53.8	Low	58.1	Low	15 Å²	15	85 Å²	85	8%	0.079	43%	0.426	C	S	.	.	H	α-helix	trans	-70	-38.3	177.9	-177.3	62.2	0	0	0	111.7	F551 Y552 C558 R559	F551-L555 HydrophobicContact CE1-CB 4.48Å; F551-L555 HydrophobicContact CE1-CD2 3.95Å; F551-L555 HydrophobicContact CZ-CD2 4.31Å; F551-L555 WeakPolarHBondContact O-CB 3.42Å; F551-L555 PolarHBondContact O-N 3.36Å; Y552-L555 PolarHBondContact O-N 3.13Å; L555-C558 PolarHBondContact O-N 2.91Å; L555-R559 WeakPolarHBondContact O-CB 3.18Å; L555-R559 VanDerWaalsContact O-CG 3.29Å; L555-R559 WeakPolarHBondContact O-CG 3.38Å; L555-R559 PolarHBondContact O-N 3.49Å
556	A	52.1	Low	59.5	Low	59 Å²	59	82.8 Å²	82.8	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-46.9	172.7	0	0	0	0	0	110.8	Y552 G553 C558 R559 H560	Y552-A556 WeakPolarHBondContact O-CB 3.36Å; Y552-A556 PolarHBondContact O-N 2.95Å; G553-A556 PolarHBondContact O-N 2.99Å; A556-C558 PolarHBondContact O-N 3.43Å; A556-R559 PolarHBondContact O-N 3.23Å; A556-H560 WeakPolarHBondContact O-CB 3.29Å; A556-H560 PolarHBondContact O-N 3.03Å
557	Y	59.1	Low	60.4	Low	141 Å²	141	82.3 Å²	82.3	55%	0.553	42%	0.416	S	S	*	.	H	α-helix	trans	-57.7	-47.4	174	176.1	-107.2	0	0	0	112.3	G553 W554 R559 H560 L561	G553-Y557 VanDerWaalsContact O-CB 3.31Å; G553-Y557 WeakPolarHBondContact O-CB 3.37Å; G553-Y557 PolarHBondContact O-N 3.17Å; W554-Y557 PolarHBondContact O-N 3.28Å; Y557-R559 VanDerWaalsContact C-N 3.34Å; Y557-R559 PolarHBondContact O-N 3.17Å; Y557-H560 PolarHBondContact O-N 3.46Å; Y557-L561 HydrophobicContact CD1-CD1 3.98Å; Y557-L561 HydrophobicContact CE1-CD1 3.43Å; Y557-L561 VanDerWaalsContact CE1-CD1 3.43Å; Y557-L561 HydrophobicContact CE1-CG 4.35Å; Y557-L561 HydrophobicContact CE2-CD1 4.12Å; Y557-L561 HydrophobicContact CE2-CG 4.24Å; Y557-L561 WeakPolarHBondContact O-CB 3.3Å; Y557-L561 PolarHBondContact O-N 2.89Å
558	C	57.7	Low	61.8	Low	45 Å²	45	78.5 Å²	78.5	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-34.4	176.3	-73.7	0	0	0	0	113.4	W554 L555 A556 S562	W554-C558 VanDerWaalsContact CE2-SG 3.5Å; W554-C558 WeakPolarHBondContact O-CB 3.47Å; W554-C558 PolarHBondContact O-N 2.94Å; W554-C558 PolarHBondContact O-SG 2.82Å; L555-C558 PolarHBondContact O-N 2.91Å; A556-C558 PolarHBondContact O-N 3.43Å; C558-S562 WeakPolarHBondContact O-CB 3.35Å; C558-S562 PolarHBondContact O-N 3.39Å; C558-S562 VanDerWaalsContact O-N 3.12Å
559	R	61.7	Low	63.6	Low	163 Å²	163	78.3 Å²	78.3	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-72.2	-44.7	174.6	-74.2	177.1	70.9	152.5	1.2	111.3	L555 A556 Y557 S562 T563	L555-R559 WeakPolarHBondContact O-CB 3.18Å; L555-R559 VanDerWaalsContact O-CG 3.29Å; L555-R559 WeakPolarHBondContact O-CG 3.38Å; L555-R559 PolarHBondContact O-N 3.49Å; A556-R559 PolarHBondContact O-N 3.23Å; Y557-R559 VanDerWaalsContact C-N 3.34Å; Y557-R559 PolarHBondContact O-N 3.17Å; R559-S562 WeakPolarHBondContact O-CB 3.25Å; R559-S562 PolarHBondContact O-N 3.2Å; R559-S562 VanDerWaalsContact O-N 3.1Å; R559-T563 PolarHBondContact O-N 2.92Å; R559-T563 PolarHBondContact O-OG1 3.06Å
560	H	62.3	Low	65.3	Low	92 Å²	92	72 Å²	72	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-51.7	174.6	177	72.7	0	0	0	110.8	A556 Y557 S562 T563 V564	A556-H560 WeakPolarHBondContact O-CB 3.29Å; A556-H560 PolarHBondContact O-N 3.03Å; Y557-H560 PolarHBondContact O-N 3.46Å; H560-S562 PolarHBondContact O-N 3.22Å; H560-T563 PolarHBondContact O-N 3.48Å; H560-T563 VanDerWaalsContact O-N 3.11Å; H560-V564 VanDerWaalsContact O-CB 3.25Å; H560-V564 WeakPolarHBondContact O-CB 3.09Å; H560-V564 WeakPolarHBondContact O-CG2 3.27Å; H560-V564 PolarHBondContact O-N 3.44Å
561	L	61.9	Low	66.9	Low	55 Å²	55	69.2 Å²	69.2	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-54.6	-36.2	172.4	-85.1	178.3	0	0	0	113.2	Y557 R565	Y557-L561 HydrophobicContact CD1-CD1 3.98Å; Y557-L561 HydrophobicContact CE1-CD1 3.43Å; Y557-L561 VanDerWaalsContact CE1-CD1 3.43Å; Y557-L561 HydrophobicContact CE1-CG 4.35Å; Y557-L561 HydrophobicContact CE2-CD1 4.12Å; Y557-L561 HydrophobicContact CE2-CG 4.24Å; Y557-L561 WeakPolarHBondContact O-CB 3.3Å; Y557-L561 PolarHBondContact O-N 2.89Å; L561-R565 WeakPolarHBondContact O-CB 3.41Å; L561-R565 PolarHBondContact O-N 3.04Å
562	S	64.9	Low	68.7	Low	72 Å²	72	67.3 Å²	67.3	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-70.2	-40.6	177.6	-165.9	0	0	0	0	112.3	C558 R559 H560 T566	C558-S562 WeakPolarHBondContact O-CB 3.35Å; C558-S562 PolarHBondContact O-N 3.39Å; C558-S562 VanDerWaalsContact O-N 3.12Å; R559-S562 WeakPolarHBondContact O-CB 3.25Å; R559-S562 PolarHBondContact O-N 3.2Å; R559-S562 VanDerWaalsContact O-N 3.1Å; H560-S562 PolarHBondContact O-N 3.22Å; S562-T566 PolarHBondContact O-N 2.9Å; S562-T566 VanDerWaalsContact O-N 3.15Å; S562-T566 PolarHBondContact O-OG1 2.86Å
563	T	67.4	Low	70.4	Confident	75 Å²	75	64.4 Å²	64.4	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-50.4	173.8	-56.9	0	0	0	0	110.6	R559 H560 R565 T566 H567	R559-T563 PolarHBondContact O-N 2.92Å; R559-T563 PolarHBondContact O-OG1 3.06Å; H560-T563 PolarHBondContact O-N 3.48Å; H560-T563 VanDerWaalsContact O-N 3.11Å; T563-R565 PolarHBondContact O-N 2.79Å; T563-T566 CarbonylContact O-C 3.51Å; T563-T566 WeakPolarHBondContact O-CA 3.37Å; T563-T566 VanDerWaalsContact O-CB 3.32Å; T563-T566 WeakPolarHBondContact O-CB 3.48Å; T563-T566 PolarHBondContact O-N 2.69Å; T563-H567 PolarHBondContact O-CD2 3.37Å; T563-H567 VanDerWaalsContact O-CD2 3.31Å; T563-H567 PolarHBondContact O-N 3.41Å
564	V	65.6	Low	71.9	Confident	18 Å²	18	67.7 Å²	67.7	11%	0.109	35%	0.351	C	S	.	.	H	α-helix	trans	-49.9	-53.2	173.7	151.9	0	0	0	0	111.6	H560 T566 H567 L568 I971	H560-V564 VanDerWaalsContact O-CB 3.25Å; H560-V564 WeakPolarHBondContact O-CB 3.09Å; H560-V564 WeakPolarHBondContact O-CG2 3.27Å; H560-V564 PolarHBondContact O-N 3.44Å; V564-T566 PolarHBondContact O-N 3.23Å; V564-H567 PolarHBondContact O-N 2.92Å; V564-H567 VanDerWaalsContact O-N 3.12Å; V564-L568 HydrophobicContact CG1-CD1 4.12Å; V564-L568 HydrophobicContact CG1-CG 4.42Å; V564-L568 WeakPolarHBondContact O-CB 3.34Å; V564-L568 WeakPolarHBondContact O-CG 3.1Å; V564-L568 PolarHBondContact O-N 3.47Å; V564-I971 HydrophobicContact CB-CD1 4.24Å; V564-I971 HydrophobicContact CG1-CD1 3.45Å; V564-I971 VanDerWaalsContact CG1-CD1 3.45Å; V564-I971 HydrophobicContact CG1-CG1 3.87Å; V564-I971 HydrophobicContact CG1-CG2 4.2Å; V564-I971 HydrophobicContact CG2-CD1 3.96Å; V564-I971 HydrophobicContact CG2-CG1 4.2Å
565	R	71.5	Confident	72.5	Confident	58 Å²	58	67.8 Å²	67.8	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-33.6	178.4	180	175.5	-71.1	156	-9.6	112	L561 T563 S569 L1083 I1084 N1086	L561-R565 WeakPolarHBondContact O-CB 3.41Å; L561-R565 PolarHBondContact O-N 3.04Å; T563-R565 PolarHBondContact O-N 2.79Å; R565-S569 WeakPolarHBondContact O-CB 3.34Å; R565-S569 PolarHBondContact O-N 3.18Å; R565-S569 PolarHBondContact O-OG 3.39Å; R565-L1083 PolarHBondContact NE-O 2.98Å; R565-L1083 PolarHBondContact NH2-O 3.47Å; R565-I1084 HydrophobicContact CG-CB 4.44Å; R565-I1084 HydrophobicContact CG-CG1 4.22Å; R565-I1084 HydrophobicContact CG-CG2 4.44Å; R565-N1086 VanDerWaalsContact CZ-O 3.26Å; R565-N1086 PolarHBondContact NH1-O 3.46Å; R565-N1086 PolarHBondContact NH2-O 3.49Å
566	T	77.3	Confident	74.1	Confident	85 Å²	85	70.1 Å²	70.1	52%	0.521	37%	0.371	S	S	.	.	H	α-helix	trans	-69.5	-41.7	175.9	-53.7	0	0	0	0	111	S562 T563 V564 S569	S562-T566 PolarHBondContact O-N 2.9Å; S562-T566 VanDerWaalsContact O-N 3.15Å; S562-T566 PolarHBondContact O-OG1 2.86Å; T563-T566 CarbonylContact O-C 3.51Å; T563-T566 WeakPolarHBondContact O-CA 3.37Å; T563-T566 VanDerWaalsContact O-CB 3.32Å; T563-T566 WeakPolarHBondContact O-CB 3.48Å; T563-T566 PolarHBondContact O-N 2.69Å; V564-T566 PolarHBondContact O-N 3.23Å; T566-S569 PolarHBondContact O-N 3Å; T566-S569 PolarHBondContact O-OG 3.35Å
567	H	74.9	Confident	75.7	Confident	107 Å²	107	69.4 Å²	69.4	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-69	-49.9	177.6	-68.8	-157.9	0	0	0	111.1	T563 V564 S569 A570	T563-H567 PolarHBondContact O-CD2 3.37Å; T563-H567 VanDerWaalsContact O-CD2 3.31Å; T563-H567 PolarHBondContact O-N 3.41Å; V564-H567 PolarHBondContact O-N 2.92Å; V564-H567 VanDerWaalsContact O-N 3.12Å; H567-S569 PolarHBondContact O-N 3.37Å; H567-A570 PolarHBondContact O-N 3.48Å; H567-A570 VanDerWaalsContact O-N 3.09Å
568	L	81.1	Confident	77	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-28.8	175.2	-69	-172.3	0	0	0	113.2	V564 A570 L571 L968 I971 V1080 I1084	V564-L568 HydrophobicContact CG1-CD1 4.12Å; V564-L568 HydrophobicContact CG1-CG 4.42Å; V564-L568 WeakPolarHBondContact O-CB 3.34Å; V564-L568 WeakPolarHBondContact O-CG 3.1Å; V564-L568 PolarHBondContact O-N 3.47Å; L568-A570 PolarHBondContact O-N 2.97Å; L568-L571 HydrophobicContact CD2-CD1 3.89Å; L568-L571 PolarHBondContact O-N 2.88Å; L568-L968 HydrophobicContact CD2-CD2 3.68Å; L568-L968 HydrophobicContact CD2-CG 4.33Å; L568-I971 HydrophobicContact CD1-CD1 3.83Å; L568-I971 HydrophobicContact CD1-CG2 4.07Å; L568-I971 HydrophobicContact CD2-CD1 4.02Å; L568-I971 HydrophobicContact CG-CD1 3.95Å; L568-V1080 HydrophobicContact CB-CG1 4.04Å; L568-V1080 HydrophobicContact CD1-CG1 4.13Å; L568-V1080 HydrophobicContact CD1-CG2 4.46Å; L568-V1080 HydrophobicContact CG-CG1 4.49Å; L568-I1084 HydrophobicContact CB-CD1 4.4Å
569	S	84.9	Confident	78.4	Confident	40 Å²	40	64.6 Å²	64.6	28%	0.28	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.4	177.1	74.3	0	0	0	0	114.4	R565 T566 H567 H574	R565-S569 WeakPolarHBondContact O-CB 3.34Å; R565-S569 PolarHBondContact O-N 3.18Å; R565-S569 PolarHBondContact O-OG 3.39Å; T566-S569 PolarHBondContact O-N 3Å; T566-S569 PolarHBondContact O-OG 3.35Å; H567-S569 PolarHBondContact O-N 3.37Å; S569-H574 PolarHBondContact O-CE1 3.13Å
570	A	87.7	Confident	79.6	Confident	74 Å²	74	61.9 Å²	61.9	61%	0.612	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.1	170.5	0	0	0	0	0	113.2	H567 L568	H567-A570 PolarHBondContact O-N 3.48Å; H567-A570 VanDerWaalsContact O-N 3.09Å; L568-A570 PolarHBondContact O-N 2.97Å
571	L	89.9	Confident	80.5	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.031	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.1	-174.5	-56.1	-175	0	0	0	113.9	L568 N964 L968 S1024 H1026 L1029 F1030	L568-L571 HydrophobicContact CD2-CD1 3.89Å; L568-L571 PolarHBondContact O-N 2.88Å; L571-N964 HydrophobicContact CD1-CB 4.11Å; L571-N964 HydrophobicContact CD2-CB 4.27Å; L571-L968 HydrophobicContact CD1-CD1 4.2Å; L571-L968 HydrophobicContact CD1-CD2 4.22Å; L571-L968 HydrophobicContact CD1-CG 4.13Å; L571-S1024 WeakPolarHBondContact O-CB 3.42Å; L571-S1024 PolarHBondContact O-OG 3Å; L571-H1026 HydrophobicContact CD2-CB 4.44Å; L571-L1029 HydrophobicContact CD2-CD1 4.38Å; L571-F1030 HydrophobicContact CB-CE2 4.5Å; L571-F1030 HydrophobicContact CB-CZ 4.46Å
572	V	92.4	Very high	81.3	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.03	37%	0.371	C	S	.	.	S	Bend	trans	-137.5	144.4	-178.7	-57.5	0	0	0	0	112.6	H574 F1030 V1077 V1080 Q1081 I1084	V572-H574 PolarHBondContact O-ND1 2.96Å; V572-F1030 HydrophobicContact CG1-CE1 4.33Å; V572-F1030 HydrophobicContact CG1-CE2 4Å; V572-F1030 HydrophobicContact CG1-CZ 3.52Å; V572-V1077 HydrophobicContact CB-CG1 4.49Å; V572-V1077 HydrophobicContact CG1-CG1 3.99Å; V572-V1080 HydrophobicContact CG1-CB 4.31Å; V572-V1080 HydrophobicContact CG1-CG1 3.9Å; V572-V1080 HydrophobicContact CG2-CG1 3.86Å; V572-Q1081 HydrophobicContact CB-CG 4.02Å; V572-Q1081 HydrophobicContact CG2-CG 3.74Å; V572-I1084 HydrophobicContact CG2-CD1 3.42Å; V572-I1084 VanDerWaalsContact CG2-CD1 3.42Å
573	N	89.1	Confident	82.2	Confident	56 Å²	56	64.9 Å²	64.9	30%	0.299	37%	0.368	S	S	.	.			trans	-62.8	141	168	-65.8	-14.8	0	0	0	109.1	M575 V1022 S1023 Q1081	N573-M575 VanDerWaalsContact C-N 3.27Å; N573-M575 PolarHBondContact O-N 3.43Å; N573-V1022 PolarHBondContact ND2-O 3.21Å; N573-S1023 WeakPolarHBondContact CB-O 3.43Å; N573-S1023 PolarHBondContact N-O 3.46Å; N573-S1023 PolarHBondContact ND2-N 3.25Å; N573-Q1081 PolarHBondContact O-NE2 2.94Å
574	H	83.9	Confident	83.2	Confident	110 Å²	110	65.8 Å²	65.8	51%	0.509	37%	0.37	S	S	.	.	S	Bend	trans	-79	-9.7	179	-59.6	-9.3	0	0	0	113.7	S569 V572	S569-H574 PolarHBondContact O-CE1 3.13Å; V572-H574 PolarHBondContact O-ND1 2.96Å
575	M	84.2	Confident	84.5	Confident	144 Å²	144	65 Å²	65	71%	0.709	37%	0.365	S	S	*	.			trans	-83.9	114.4	173.5	-64.8	-56.7	-60.3	0	0	109.3	N573 Q1081	N573-M575 VanDerWaalsContact C-N 3.27Å; N573-M575 PolarHBondContact O-N 3.43Å; M575-Q1081 PolarHBondContact O-NE2 3.23Å
576	I	86.1	Confident	85.3	Confident	63 Å²	63	64.6 Å²	64.6	32%	0.323	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-78.5	122	169.5	-58.2	176.8	0	0	0	107.7	Y1078 Q1081	I576-Y1078 HydrophobicContact CD1-CD2 4.35Å; I576-Y1078 HydrophobicContact CD1-CE2 4.05Å; I576-Y1078 HydrophobicContact CG2-CD2 3.9Å; I576-Y1078 HydrophobicContact CG2-CE2 3.92Å; I576-Q1081 HydrophobicContact CD1-CB 4.19Å; I576-Q1081 HydrophobicContact CG1-CB 3.97Å; I576-Q1081 HydrophobicContact CG1-CG 4.47Å
577	V	85.8	Confident	85.8	Confident	44 Å²	44	67.8 Å²	67.8	27%	0.267	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-101	143.8	177.1	-176.9	0	0	0	0	108.7	R611 Y615 V1022	V577-R611 HydrophobicContact CG1-CG 3.7Å; V577-Y615 PolarHBondContact O-OH 3.24Å; V577-V1022 HydrophobicContact CB-CG1 4.05Å; V577-V1022 HydrophobicContact CG1-CG1 4.18Å; V577-V1022 HydrophobicContact CG2-CG1 3.96Å
578	S	86.1	Confident	86.7	Confident	37 Å²	37	62.8 Å²	62.8	26%	0.259	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-99.7	143.4	-178.6	167.9	0	0	0	0	111.2	D580 R611	S578-D580 VanDerWaalsContact C-N 3.31Å; S578-D580 PolarHBondContact OG-N 2.85Å; S578-D580 VanDerWaalsContact OG-N 3.17Å; S578-R611 PolarHBondContact O-NH1 3.42Å
579	P	87.6	Confident	87.4	Confident	49 Å²	49	62.6 Å²	62.6	32%	0.318	36%	0.364	S	S	.	.	S	Bend	trans	-70.4	-26.2	171.8	27.7	-32.1	0	0	0	113	A585 R611 Y615	P579-A585 WeakPolarHBondContact O-CB 3.48Å; P579-A585 PolarHBondContact O-N 3.39Å; P579-R611 VanDerWaalsContact C-NH1 3.29Å; P579-R611 PolarHBondContact O-NH1 3Å; P579-Y615 HydrophobicContact CB-CD1 3.9Å; P579-Y615 HydrophobicContact CB-CD2 4.29Å; P579-Y615 HydrophobicContact CB-CE1 3.78Å; P579-Y615 HydrophobicContact CB-CE2 4.18Å; P579-Y615 HydrophobicContact CB-CG 4.17Å; P579-Y615 HydrophobicContact CG-CE1 4.39Å
580	D	87.3	Confident	87.9	Confident	106 Å²	106	62.2 Å²	62.2	57%	0.567	36%	0.36	S	S	*	.	S	Bend	trans	-96.9	-11.5	-168.8	-41.1	-74.1	0	0	0	114.1	S578 C583	S578-D580 VanDerWaalsContact C-N 3.31Å; S578-D580 PolarHBondContact OG-N 2.85Å; S578-D580 VanDerWaalsContact OG-N 3.17Å; D580-C583 VanDerWaalsContact C-C 3.5Å; D580-C583 CarbonylContact C-O 3.59Å; D580-C583 VanDerWaalsContact C-O 3.27Å; D580-C583 CarbonylContact O-C 3.49Å; D580-C583 VanDerWaalsContact O-CA 3.3Å; D580-C583 WeakPolarHBondContact O-CA 3.4Å; D580-C583 PolarHBondContact O-N 3.3Å
581	L	80.9	Confident	88.2	Confident	123 Å²	123	59.6 Å²	59.6	64%	0.644	34%	0.339	S	S	*	.	S	Bend	trans	-126.7	129.8	-171.7	-79.5	161.4	0	0	0	111.3	C583 R611	L581-C583 VanDerWaalsContact C-N 3.34Å; L581-R611 PolarHBondContact O-NE 3.32Å; L581-R611 PolarHBondContact O-NH1 3.07Å; L581-R611 VanDerWaalsContact O-NH1 3.08Å
582	P	78.8	Confident	88.3	Confident	96 Å²	96	68 Å²	68	62%	0.623	37%	0.37	S	S	*	.	S	Bend	cis	-72.2	-15.9	4.1	30.4	-37.4	0	0	0	115	E608	P582-E608 WeakPolarHBondContact CD-OE2 3.44Å; P582-E608 WeakPolarHBondContact CG-OE1 3.23Å
583	C	83.4	Confident	88.2	Confident	63 Å²	63	69.1 Å²	69.1	43%	0.426	38%	0.376	S	S	.	.	S	Bend	trans	-149.6	170.5	173.9	59.6	0	0	0	0	111.3	D580 L581 A585 R611	D580-C583 VanDerWaalsContact C-C 3.5Å; D580-C583 CarbonylContact C-O 3.59Å; D580-C583 VanDerWaalsContact C-O 3.27Å; D580-C583 CarbonylContact O-C 3.49Å; D580-C583 VanDerWaalsContact O-CA 3.3Å; D580-C583 WeakPolarHBondContact O-CA 3.4Å; D580-C583 PolarHBondContact O-N 3.3Å; L581-C583 VanDerWaalsContact C-N 3.34Å; C583-A585 PolarHBondContact O-N 3.24Å; C583-R611 PolarHBondContact O-NH1 2.95Å; C583-R611 PolarHBondContact O-NH2 2.9Å
584	D	89.4	Confident	88.4	Confident	94 Å²	94	66.8 Å²	66.8	50%	0.503	36%	0.363	S	S	.	.			trans	-57.9	114.8	173.3	172.6	27.5	0	0	0	111.7	G586	D584-G586 WeakPolarHBondContact OD1-CA 3.39Å; D584-G586 PolarHBondContact OD1-N 3.21Å
585	A	91.3	Very high	88.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.367	C	S	.	.			trans	-89.2	-0.6	176.6	0	0	0	0	0	114.1	P579 C583 Q587 G588 L612 Y615 G616	P579-A585 WeakPolarHBondContact O-CB 3.48Å; P579-A585 PolarHBondContact O-N 3.39Å; C583-A585 PolarHBondContact O-N 3.24Å; A585-Q587 PolarHBondContact O-N 3.16Å; A585-G588 PolarHBondContact O-N 3.07Å; A585-L612 HydrophobicContact CB-CD2 3.91Å; A585-Y615 HydrophobicContact CB-CD2 3.76Å; A585-Y615 HydrophobicContact CB-CG 4.05Å; A585-G616 PolarHBondContact O-N 2.86Å
586	G	88.1	Confident	88.9	Confident	50 Å²	50	64.7 Å²	64.7	52%	0.515	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	-178.3	0	0	0	0	0	114.8	D584	D584-G586 WeakPolarHBondContact OD1-CA 3.39Å; D584-G586 PolarHBondContact OD1-N 3.21Å
587	Q	88.8	Confident	88.9	Confident	153 Å²	153	62.1 Å²	62.1	72%	0.715	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.5	174.8	-59.6	-169.9	17.2	0	0	114.2	A585	A585-Q587 PolarHBondContact O-N 3.16Å
588	G	94	Very high	88.9	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.021	35%	0.345	C	S	.	.			trans	71.3	-167.1	-179.8	0	0	0	0	0	114.3	A585 T590 G617	A585-G588 PolarHBondContact O-N 3.07Å; G588-T590 PolarHBondContact O-N 2.88Å; G588-G617 CarbonylContact C-O 3.49Å; G588-G617 VanDerWaalsContact CA-O 3.31Å; G588-G617 WeakPolarHBondContact CA-O 3.49Å
589	L	95.4	Very high	88.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-80.5	111.8	173.2	-179.8	64.2	0	0	0	110	I593 W594 L609 L612 I613 G617 Q619 I622 V626	L589-I593 HydrophobicContact CD1-CB 3.96Å; L589-I593 HydrophobicContact CD1-CG2 3.6Å; L589-W594 HydrophobicContact CD1-CB 4.48Å; L589-W594 HydrophobicContact CD2-CE3 4.01Å; L589-L609 HydrophobicContact CD1-CD2 3.9Å; L589-L612 HydrophobicContact CD1-CD1 4.43Å; L589-I613 HydrophobicContact CB-CD1 4.46Å; L589-I613 HydrophobicContact CB-CG1 3.77Å; L589-I613 HydrophobicContact CD2-CD1 3.95Å; L589-I613 HydrophobicContact CD2-CG1 4.19Å; L589-G617 PolarHBondContact N-O 3.3Å; L589-Q619 WeakPolarHBondContact O-CB 3.38Å; L589-Q619 PolarHBondContact O-N 2.87Å; L589-I622 HydrophobicContact CD2-CD1 4.18Å; L589-I622 HydrophobicContact CG-CD1 3.95Å; L589-V626 HydrophobicContact CD2-CG1 3.99Å; L589-V626 HydrophobicContact CD2-CG2 3.84Å
590	T	95	Very high	88.3	Confident	31 Å²	31	71.4 Å²	71.4	19%	0.19	37%	0.374	C	S	.	.			trans	-91.9	156.4	177.1	63.7	0	0	0	0	112.3	G588 R592 I593 W594	G588-T590 PolarHBondContact O-N 2.88Å; T590-R592 PolarHBondContact O-N 2.8Å; T590-I593 PolarHBondContact O-N 3.15Å; T590-I593 VanDerWaalsContact O-N 3.08Å; T590-I593 WeakPolarHBondContact OG1-CG1 3.41Å; T590-W594 PolarHBondContact O-N 2.84Å; T590-W594 VanDerWaalsContact O-N 3.11Å
591	A	94.2	Very high	87.6	Confident	20 Å²	20	69.4 Å²	69.4	17%	0.165	37%	0.368	C	S	.	.	H	α-helix	trans	-52.9	-41.9	178.1	0	0	0	0	0	112.7	I593 W594 E595 I622	A591-I593 PolarHBondContact O-N 3.34Å; A591-W594 PolarHBondContact O-N 3.11Å; A591-E595 WeakPolarHBondContact O-CB 3.47Å; A591-E595 WeakPolarHBondContact O-CG 3.46Å; A591-E595 PolarHBondContact O-N 2.95Å; A591-I622 HydrophobicContact CB-CG2 3.78Å
592	R	92.1	Very high	87.2	Confident	181 Å²	181	69.4 Å²	69.4	68%	0.683	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-42.1	177.7	178.1	-179.5	171.6	-173.5	-1.7	113.2	T590 W594 Q596	T590-R592 PolarHBondContact O-N 2.8Å; R592-W594 VanDerWaalsContact C-N 3.35Å; R592-Q596 VanDerWaalsContact O-CG 3.26Å; R592-Q596 WeakPolarHBondContact O-CG 3.46Å; R592-Q596 PolarHBondContact O-N 2.94Å; R592-Q596 VanDerWaalsContact O-N 3.1Å
593	I	91.3	Very high	86.6	Confident	30 Å²	30	67.5 Å²	67.5	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-40.5	179.3	-66.7	171.5	0	0	0	109.5	L589 T590 A591 Q596 Y597 Y604 L609 L612	L589-I593 HydrophobicContact CD1-CB 3.96Å; L589-I593 HydrophobicContact CD1-CG2 3.6Å; T590-I593 PolarHBondContact O-N 3.15Å; T590-I593 VanDerWaalsContact O-N 3.08Å; T590-I593 WeakPolarHBondContact OG1-CG1 3.41Å; A591-I593 PolarHBondContact O-N 3.34Å; I593-Q596 PolarHBondContact O-N 3.19Å; I593-Y597 PolarHBondContact O-N 3.29Å; I593-Y604 HydrophobicContact CG2-CD1 4.38Å; I593-Y604 HydrophobicContact CG2-CE1 3.94Å; I593-Y604 HydrophobicContact CG2-CE2 4.08Å; I593-L609 HydrophobicContact CG2-CD2 3.98Å; I593-L612 HydrophobicContact CD1-CD1 3.88Å; I593-L612 HydrophobicContact CG2-CD1 4.1Å
594	W	92.5	Very high	86.1	Confident	6 Å²	6	67.6 Å²	67.6	2%	0.023	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-42.5	177	-172.4	-119.8	0	0	0	113	L589 T590 A591 R592 Q596 Y597 L598 L609 I622 V626 F629 F636	L589-W594 HydrophobicContact CD1-CB 4.48Å; L589-W594 HydrophobicContact CD2-CE3 4.01Å; T590-W594 PolarHBondContact O-N 2.84Å; T590-W594 VanDerWaalsContact O-N 3.11Å; A591-W594 PolarHBondContact O-N 3.11Å; R592-W594 VanDerWaalsContact C-N 3.35Å; W594-Q596 PolarHBondContact O-N 2.95Å; W594-Y597 AromaticContact CE3-CD1 3.84Å; W594-Y597 HydrophobicContact CE3-CD1 3.84Å; W594-Y597 HydrophobicContact CH2-CD1 4.23Å; W594-Y597 HydrophobicContact CH2-CE1 4.23Å; W594-Y597 AromaticContact CZ3-CD1 3.56Å; W594-Y597 HydrophobicContact CZ3-CD1 3.56Å; W594-Y597 AromaticContact CZ3-CE1 3.84Å; W594-Y597 HydrophobicContact CZ3-CE1 3.84Å; W594-Y597 PolarHBondContact O-N 3.3Å; W594-L598 HydrophobicContact CG-CD1 4.49Å; W594-L598 HydrophobicContact CZ2-CD2 4.39Å; W594-L598 WeakPolarHBondContact O-CG 3.35Å; W594-L598 PolarHBondContact O-N 2.91Å; W594-L609 HydrophobicContact CZ3-CD1 4.37Å; W594-I622 HydrophobicContact CB-CD1 3.79Å; W594-I622 HydrophobicContact CG-CD1 4.11Å; W594-V626 HydrophobicContact CD2-CG2 3.67Å; W594-V626 HydrophobicContact CE3-CG2 4.06Å; W594-V626 HydrophobicContact CG-CG2 4.08Å; W594-V626 HydrophobicContact CH2-CG2 4.24Å; W594-V626 HydrophobicContact CZ2-CB 4.44Å; W594-V626 HydrophobicContact CZ2-CG2 3.86Å; W594-V626 HydrophobicContact CZ3-CG2 4.33Å; W594-F629 HydrophobicContact CH2-CD1 4.46Å; W594-F629 AromaticContact CH2-CD2 3.63Å; W594-F629 HydrophobicContact CH2-CD2 3.63Å; W594-F629 AromaticContact CH2-CE2 3.72Å; W594-F629 HydrophobicContact CH2-CE2 3.72Å; W594-F629 HydrophobicContact CH2-CG 4.01Å; W594-F629 HydrophobicContact CH2-CZ 4.16Å; W594-F629 AromaticContact CZ2-CD2 3.76Å; W594-F629 HydrophobicContact CZ2-CD2 3.76Å; W594-F629 AromaticContact CZ2-CE2 3.55Å; W594-F629 HydrophobicContact CZ2-CE2 3.55Å; W594-F629 HydrophobicContact CZ2-CZ 4.22Å; W594-F636 HydrophobicContact CZ3-CE1 4.39Å
595	E	90.1	Very high	85.7	Confident	131 Å²	131	70.5 Å²	70.5	61%	0.612	37%	0.365	S	S	*	.	H	α-helix	trans	-61.5	-40.9	173.3	-75.3	171.6	-174.4	0	0	112.4	A591 L598 H599	A591-E595 WeakPolarHBondContact O-CB 3.47Å; A591-E595 WeakPolarHBondContact O-CG 3.46Å; A591-E595 PolarHBondContact O-N 2.95Å; E595-L598 PolarHBondContact O-N 3.27Å; E595-H599 PolarHBondContact O-N 3Å
596	Q	87.9	Confident	85.5	Confident	79 Å²	79	74.6 Å²	74.6	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-45.8	175.4	-74.9	177.3	-31.7	0	0	111.6	R592 I593 W594 L598 H599 D600 Y604	R592-Q596 VanDerWaalsContact O-CG 3.26Å; R592-Q596 WeakPolarHBondContact O-CG 3.46Å; R592-Q596 PolarHBondContact O-N 2.94Å; R592-Q596 VanDerWaalsContact O-N 3.1Å; I593-Q596 PolarHBondContact O-N 3.19Å; W594-Q596 PolarHBondContact O-N 2.95Å; Q596-L598 PolarHBondContact O-N 2.92Å; Q596-H599 PolarHBondContact O-N 3.16Å; Q596-D600 PolarHBondContact O-N 3.05Å; Q596-Y604 HydrophobicContact CB-CE2 4.17Å; Q596-Y604 PolarHBondContact OE1-OH 3.47Å
597	Y	87.3	Confident	85.5	Confident	10 Å²	10	76.3 Å²	76.3	4%	0.039	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-37.7	175.5	174.4	-107.4	0	0	0	113.3	I593 W594 H599 D600 S601 L609 F636 G637	I593-Y597 PolarHBondContact O-N 3.29Å; W594-Y597 AromaticContact CE3-CD1 3.84Å; W594-Y597 HydrophobicContact CE3-CD1 3.84Å; W594-Y597 HydrophobicContact CH2-CD1 4.23Å; W594-Y597 HydrophobicContact CH2-CE1 4.23Å; W594-Y597 AromaticContact CZ3-CD1 3.56Å; W594-Y597 HydrophobicContact CZ3-CD1 3.56Å; W594-Y597 AromaticContact CZ3-CE1 3.84Å; W594-Y597 HydrophobicContact CZ3-CE1 3.84Å; W594-Y597 PolarHBondContact O-N 3.3Å; Y597-H599 VanDerWaalsContact C-N 3.31Å; Y597-H599 PolarHBondContact O-N 3.26Å; Y597-D600 CarbonylContact O-C 3.27Å; Y597-D600 VanDerWaalsContact O-C 3.22Å; Y597-S601 WeakPolarHBondContact O-CA 3.42Å; Y597-S601 PolarHBondContact O-N 2.79Å; Y597-L609 HydrophobicContact CD1-CD1 3.88Å; Y597-L609 HydrophobicContact CD2-CD1 3.82Å; Y597-L609 HydrophobicContact CE1-CD1 3.99Å; Y597-L609 HydrophobicContact CE2-CD1 3.93Å; Y597-L609 HydrophobicContact CG-CD1 3.78Å; Y597-F636 HydrophobicContact CE1-CD1 4.15Å; Y597-F636 WeakPolarHBondContact OH-CA 3.33Å; Y597-F636 WeakPolarHBondContact OH-CB 3.48Å; Y597-G637 PolarHBondContact OH-N 3.03Å
598	L	84.8	Confident	85.6	Confident	79 Å²	79	70.2 Å²	70.2	41%	0.414	35%	0.35	S	S	.	.	H	α-helix	trans	-70.5	-25.2	175.6	-73.3	176.2	0	0	0	113.4	W594 E595 Q596	W594-L598 HydrophobicContact CG-CD1 4.49Å; W594-L598 HydrophobicContact CZ2-CD2 4.39Å; W594-L598 WeakPolarHBondContact O-CG 3.35Å; W594-L598 PolarHBondContact O-N 2.91Å; E595-L598 PolarHBondContact O-N 3.27Å; Q596-L598 PolarHBondContact O-N 2.92Å
599	H	82.3	Confident	85.5	Confident	176 Å²	176	70.2 Å²	70.2	82%	0.815	35%	0.349	S	S	*	.	H	α-helix	trans	-84.7	-37.4	176.3	-167.6	63	0	0	0	112.8	E595 Q596 Y597	E595-H599 PolarHBondContact O-N 3Å; Q596-H599 PolarHBondContact O-N 3.16Å; Y597-H599 VanDerWaalsContact C-N 3.31Å; Y597-H599 PolarHBondContact O-N 3.26Å
600	D	79.4	Confident	85.4	Confident	70 Å²	70	70.4 Å²	70.4	37%	0.374	35%	0.35	S	S	.	.			trans	-136.6	99	173.6	178.2	1.9	0	0	0	109.7	Q596 Y597 T602 S603	Q596-D600 PolarHBondContact O-N 3.05Å; Y597-D600 CarbonylContact O-C 3.27Å; Y597-D600 VanDerWaalsContact O-C 3.22Å; D600-T602 PolarHBondContact O-N 2.9Å; D600-T602 VanDerWaalsContact O-N 3.11Å; D600-T602 WeakPolarHBondContact OD1-CA 3.3Å; D600-T602 WeakPolarHBondContact OD1-CB 3.26Å; D600-T602 PolarHBondContact OD1-N 3.29Å; D600-T602 PolarHBondContact OD1-OG1 3.03Å; D600-S603 WeakPolarHBondContact O-CB 3.47Å; D600-S603 PolarHBondContact O-N 3.36Å; D600-S603 PolarHBondContact O-OG 2.77Å; D600-S603 PolarHBondContact OD1-N 2.99Å
601	S	73.6	Confident	85.4	Confident	63 Å²	63	69.3 Å²	69.3	44%	0.441	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.6	178.7	57.1	0	0	0	0	114	Y597	Y597-S601 WeakPolarHBondContact O-CA 3.42Å; Y597-S601 PolarHBondContact O-N 2.79Å
602	T	71.6	Confident	85.5	Confident	123 Å²	123	68.5 Å²	68.5	76%	0.755	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-6.7	169.3	72.3	0	0	0	0	113.4	D600	D600-T602 PolarHBondContact O-N 2.9Å; D600-T602 VanDerWaalsContact O-N 3.11Å; D600-T602 WeakPolarHBondContact OD1-CA 3.3Å; D600-T602 WeakPolarHBondContact OD1-CB 3.26Å; D600-T602 PolarHBondContact OD1-N 3.29Å; D600-T602 PolarHBondContact OD1-OG1 3.03Å
603	S	66.7	Low	85.7	Confident	56 Å²	56	60 Å²	60	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-76.1	-22.7	-178	67.4	0	0	0	0	114.7	D600	D600-S603 WeakPolarHBondContact O-CB 3.47Å; D600-S603 PolarHBondContact O-N 3.36Å; D600-S603 PolarHBondContact O-OG 2.77Å; D600-S603 PolarHBondContact OD1-N 2.99Å
604	Y	71.8	Confident	85.9	Confident	65 Å²	65	58.9 Å²	58.9	26%	0.255	30%	0.298	S	S	.	.	S	Bend	trans	-132.5	134.9	175.6	-78	-90.5	0	0	0	110.4	I593 Q596 E608 L609	I593-Y604 HydrophobicContact CG2-CD1 4.38Å; I593-Y604 HydrophobicContact CG2-CE1 3.94Å; I593-Y604 HydrophobicContact CG2-CE2 4.08Å; Q596-Y604 HydrophobicContact CB-CE2 4.17Å; Q596-Y604 PolarHBondContact OE1-OH 3.47Å; Y604-E608 HydrophobicContact CD1-CG 4.15Å; Y604-L609 HydrophobicContact CD1-CD2 4.43Å; Y604-L609 HydrophobicContact CG-CD2 4.32Å
605	E	81.3	Confident	86	Confident	156 Å²	156	60.6 Å²	60.6	73%	0.729	30%	0.304	S	S	*	.			trans	-71.8	140.8	167.8	-64.1	-171.3	169.9	0	0	110.1	Q607 E608 L609	E605-Q607 PolarHBondContact O-N 3.28Å; E605-E608 WeakPolarHBondContact O-CB 3.14Å; E605-E608 PolarHBondContact O-N 2.59Å; E605-L609 PolarHBondContact O-N 2.92Å
606	E	86.8	Confident	86.2	Confident	86 Å²	86	55.7 Å²	55.7	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-51.5	-41.3	177.2	179.2	-176.9	153.4	0	0	112.1	E608 L609 L610 F636	E606-E608 PolarHBondContact O-N 3.47Å; E606-L609 PolarHBondContact O-N 3.09Å; E606-L610 HydrophobicContact CG-CD1 3.9Å; E606-L610 WeakPolarHBondContact O-CG 3.33Å; E606-L610 PolarHBondContact O-N 3.29Å; E606-F636 HydrophobicContact CB-CB 4.48Å; E606-F636 VanDerWaalsContact CD-CD2 3.43Å; E606-F636 HydrophobicContact CG-CB 4.05Å; E606-F636 HydrophobicContact CG-CD1 4.3Å; E606-F636 HydrophobicContact CG-CD2 3.6Å; E606-F636 HydrophobicContact CG-CE2 4.09Å; E606-F636 HydrophobicContact CG-CG 3.72Å; E606-F636 WeakPolarHBondContact OE1-CD2 3.28Å
607	Q	88.3	Confident	86.6	Confident	86 Å²	86	52 Å²	52	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-28	179.3	-163.3	69.3	13.8	0	0	112.9	E605 R611 H1021	E605-Q607 PolarHBondContact O-N 3.28Å; Q607-R611 WeakPolarHBondContact O-CB 3.49Å; Q607-R611 PolarHBondContact O-N 2.89Å; Q607-H1021 PolarHBondContact NE2-O 3.43Å
608	E	90.7	Very high	87.1	Confident	25 Å²	25	52 Å²	52	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-76.2	-41.9	176.9	179.4	58.6	-169	0	0	111.4	P582 Y604 E605 E606 L610 R611 L612	P582-E608 WeakPolarHBondContact CD-OE2 3.44Å; P582-E608 WeakPolarHBondContact CG-OE1 3.23Å; Y604-E608 HydrophobicContact CD1-CG 4.15Å; E605-E608 WeakPolarHBondContact O-CB 3.14Å; E605-E608 PolarHBondContact O-N 2.59Å; E606-E608 PolarHBondContact O-N 3.47Å; E608-L610 VanDerWaalsContact C-N 3.29Å; E608-L610 PolarHBondContact O-N 2.8Å; E608-R611 WeakPolarHBondContact O-CB 3.19Å; E608-R611 PolarHBondContact O-N 3.05Å; E608-R611 VanDerWaalsContact O-N 3.14Å; E608-R611 IonicContact OE1-CZ 2.71Å; E608-R611 IonicContact OE1-NE 3.85Å; E608-R611 PolarHBondContact OE1-NE 3.31Å; E608-R611 IonicContact OE1-NH2 3.15Å; E608-R611 PolarHBondContact OE1-NH2 3.37Å; E608-R611 IonicContact OE2-CZ 2.68Å; E608-R611 IonicContact OE2-NE 3.93Å; E608-R611 PolarHBondContact OE2-NE 3.05Å; E608-R611 IonicContact OE2-NH2 3.28Å; E608-L612 WeakPolarHBondContact O-CG 3.39Å; E608-L612 PolarHBondContact O-N 2.6Å
609	L	92.5	Very high	87.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-44.8	172.4	-59.3	176.3	0	0	0	110.5	L589 I593 W594 Y597 Y604 E605 E606 R611 L612 I613 F636	L589-L609 HydrophobicContact CD1-CD2 3.9Å; I593-L609 HydrophobicContact CG2-CD2 3.98Å; W594-L609 HydrophobicContact CZ3-CD1 4.37Å; Y597-L609 HydrophobicContact CD1-CD1 3.88Å; Y597-L609 HydrophobicContact CD2-CD1 3.82Å; Y597-L609 HydrophobicContact CE1-CD1 3.99Å; Y597-L609 HydrophobicContact CE2-CD1 3.93Å; Y597-L609 HydrophobicContact CG-CD1 3.78Å; Y604-L609 HydrophobicContact CD1-CD2 4.43Å; Y604-L609 HydrophobicContact CG-CD2 4.32Å; E605-L609 PolarHBondContact O-N 2.92Å; E606-L609 PolarHBondContact O-N 3.09Å; L609-R611 VanDerWaalsContact C-N 3.35Å; L609-R611 PolarHBondContact O-N 2.8Å; L609-L612 PolarHBondContact O-N 3.21Å; L609-I613 WeakPolarHBondContact O-CD1 3.48Å; L609-I613 VanDerWaalsContact O-CG1 3.22Å; L609-I613 WeakPolarHBondContact O-CG1 3.33Å; L609-I613 PolarHBondContact O-N 2.84Å; L609-I613 VanDerWaalsContact O-N 3.1Å; L609-F636 HydrophobicContact CD1-CD1 4.32Å; L609-F636 HydrophobicContact CD1-CE1 4.22Å
610	L	94.1	Very high	88.2	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-36.3	175.9	-64.6	167.7	0	0	0	112.1	E606 E608 I613 Y614 L630 A1018 H1021 V1022	E606-L610 HydrophobicContact CG-CD1 3.9Å; E606-L610 WeakPolarHBondContact O-CG 3.33Å; E606-L610 PolarHBondContact O-N 3.29Å; E608-L610 VanDerWaalsContact C-N 3.29Å; E608-L610 PolarHBondContact O-N 2.8Å; L610-I613 PolarHBondContact O-N 3.21Å; L610-Y614 VanDerWaalsContact O-CB 3.26Å; L610-Y614 WeakPolarHBondContact O-CB 3.49Å; L610-Y614 PolarHBondContact O-N 3.38Å; L610-L630 HydrophobicContact CD2-CD2 3.53Å; L610-A1018 HydrophobicContact CD2-CB 4.41Å; L610-H1021 HydrophobicContact CD1-CB 3.8Å; L610-V1022 HydrophobicContact CB-CG2 3.96Å
611	R	94.7	Very high	89	Confident	8 Å²	8	49.8 Å²	49.8	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-46.5	174	-171.5	-173.7	74.9	89.1	9.2	112	V577 S578 P579 L581 C583 Q607 E608 L609 I613 Y614 Y615	V577-R611 HydrophobicContact CG1-CG 3.7Å; S578-R611 PolarHBondContact O-NH1 3.42Å; P579-R611 VanDerWaalsContact C-NH1 3.29Å; P579-R611 PolarHBondContact O-NH1 3Å; L581-R611 PolarHBondContact O-NE 3.32Å; L581-R611 PolarHBondContact O-NH1 3.07Å; L581-R611 VanDerWaalsContact O-NH1 3.08Å; C583-R611 PolarHBondContact O-NH1 2.95Å; C583-R611 PolarHBondContact O-NH2 2.9Å; Q607-R611 WeakPolarHBondContact O-CB 3.49Å; Q607-R611 PolarHBondContact O-N 2.89Å; E608-R611 WeakPolarHBondContact O-CB 3.19Å; E608-R611 PolarHBondContact O-N 3.05Å; E608-R611 VanDerWaalsContact O-N 3.14Å; E608-R611 IonicContact OE1-CZ 2.71Å; E608-R611 IonicContact OE1-NE 3.85Å; E608-R611 PolarHBondContact OE1-NE 3.31Å; E608-R611 IonicContact OE1-NH2 3.15Å; E608-R611 PolarHBondContact OE1-NH2 3.37Å; E608-R611 IonicContact OE2-CZ 2.68Å; E608-R611 IonicContact OE2-NE 3.93Å; E608-R611 PolarHBondContact OE2-NE 3.05Å; E608-R611 IonicContact OE2-NH2 3.28Å; L609-R611 VanDerWaalsContact C-N 3.35Å; L609-R611 PolarHBondContact O-N 2.8Å; R611-I613 PolarHBondContact O-N 3.2Å; R611-Y614 PolarHBondContact O-N 3.43Å; R611-Y615 HydrophobicContact CG-CD2 4.03Å; R611-Y615 HydrophobicContact CG-CE2 4Å; R611-Y615 WeakPolarHBondContact O-CD2 3.38Å; R611-Y615 PolarHBondContact O-N 3.14Å
612	L	95.1	Very high	90	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-50.4	176.4	-67.3	175.8	0	0	0	110.8	A585 L589 I593 E608 L609 Y614 Y615 G616	A585-L612 HydrophobicContact CB-CD2 3.91Å; L589-L612 HydrophobicContact CD1-CD1 4.43Å; I593-L612 HydrophobicContact CD1-CD1 3.88Å; I593-L612 HydrophobicContact CG2-CD1 4.1Å; E608-L612 WeakPolarHBondContact O-CG 3.39Å; E608-L612 PolarHBondContact O-N 2.6Å; L609-L612 PolarHBondContact O-N 3.21Å; L612-Y614 VanDerWaalsContact C-N 3.35Å; L612-Y614 PolarHBondContact O-N 3.45Å; L612-Y615 PolarHBondContact O-N 3.18Å; L612-G616 PolarHBondContact O-N 3.14Å
613	I	96.6	Very high	91.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-41.7	179.7	-62.1	166.4	0	0	0	111.4	L589 L609 L610 R611 Y615 G617 I618 V626 L630 E1014 A1018	L589-I613 HydrophobicContact CB-CD1 4.46Å; L589-I613 HydrophobicContact CB-CG1 3.77Å; L589-I613 HydrophobicContact CD2-CD1 3.95Å; L589-I613 HydrophobicContact CD2-CG1 4.19Å; L609-I613 WeakPolarHBondContact O-CD1 3.48Å; L609-I613 VanDerWaalsContact O-CG1 3.22Å; L609-I613 WeakPolarHBondContact O-CG1 3.33Å; L609-I613 PolarHBondContact O-N 2.84Å; L609-I613 VanDerWaalsContact O-N 3.1Å; L610-I613 PolarHBondContact O-N 3.21Å; R611-I613 PolarHBondContact O-N 3.2Å; I613-Y615 VanDerWaalsContact C-N 3.29Å; I613-Y615 PolarHBondContact O-N 3.16Å; I613-G617 VanDerWaalsContact O-CA 3.28Å; I613-G617 WeakPolarHBondContact O-CA 3.3Å; I613-G617 PolarHBondContact O-N 3.47Å; I613-I618 HydrophobicContact CD1-CG1 4.35Å; I613-I618 HydrophobicContact CG1-CG1 4.04Å; I613-I618 HydrophobicContact CG2-CG1 4.03Å; I613-V626 HydrophobicContact CD1-CG1 4.26Å; I613-L630 HydrophobicContact CD1-CD1 4.21Å; I613-L630 HydrophobicContact CD1-CD2 3.95Å; I613-L630 HydrophobicContact CD1-CG 4.42Å; I613-L630 HydrophobicContact CG2-CD1 4.23Å; I613-E1014 HydrophobicContact CG2-CB 4.04Å; I613-E1014 WeakPolarHBondContact CG2-O 3.37Å; I613-A1018 HydrophobicContact CB-CB 4.07Å; I613-A1018 HydrophobicContact CG2-CB 3.84Å
614	Y	96.6	Very high	92.6	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-28	179.5	173.1	-106.7	0	0	0	114.3	L610 R611 L612 T1015 A1019 V1022 S1023 Y1027 R1074	L610-Y614 VanDerWaalsContact O-CB 3.26Å; L610-Y614 WeakPolarHBondContact O-CB 3.49Å; L610-Y614 PolarHBondContact O-N 3.38Å; R611-Y614 PolarHBondContact O-N 3.43Å; L612-Y614 VanDerWaalsContact C-N 3.35Å; L612-Y614 PolarHBondContact O-N 3.45Å; Y614-T1015 HydrophobicContact CD2-CG2 4.06Å; Y614-T1015 HydrophobicContact CE2-CG2 4.48Å; Y614-A1019 HydrophobicContact CD2-CB 3.64Å; Y614-A1019 HydrophobicContact CE2-CB 3.58Å; Y614-V1022 HydrophobicContact CD1-CB 4.32Å; Y614-V1022 HydrophobicContact CD1-CG1 3.66Å; Y614-V1022 HydrophobicContact CD2-CB 4.48Å; Y614-V1022 HydrophobicContact CE1-CG1 4.02Å; Y614-V1022 HydrophobicContact CG-CB 4.12Å; Y614-V1022 HydrophobicContact CG-CG1 3.98Å; Y614-V1022 HydrophobicContact CG-CG2 4.4Å; Y614-S1023 VanDerWaalsContact CE2-OG 3.27Å; Y614-S1023 WeakPolarHBondContact CE2-OG 3.32Å; Y614-S1023 VanDerWaalsContact CZ-OG 3.27Å; Y614-S1023 VanDerWaalsContact OH-CB 3.3Å; Y614-S1023 WeakPolarHBondContact OH-CB 3.24Å; Y614-S1023 PolarHBondContact OH-OG 2.87Å; Y614-Y1027 HydrophobicContact CE2-CD2 4.31Å; Y614-Y1027 AromaticContact CE2-CE2 3.84Å; Y614-Y1027 HydrophobicContact CE2-CE2 3.84Å; Y614-R1074 HydrophobicContact CE1-CG 4.17Å; Y614-R1074 HydrophobicContact CE2-CG 4.31Å; Y614-R1074 PolarHBondContact O-NH1 3.24Å
615	Y	94.9	Very high	93.7	Very high	43 Å²	43	43.6 Å²	43.6	17%	0.169	22%	0.222	C	C	.	.	H	α-helix	trans	-94.9	-48.9	178.3	-76.1	-69.3	0	0	0	113.3	V577 P579 A585 R611 L612 I613 R1074	V577-Y615 PolarHBondContact O-OH 3.24Å; P579-Y615 HydrophobicContact CB-CD1 3.9Å; P579-Y615 HydrophobicContact CB-CD2 4.29Å; P579-Y615 HydrophobicContact CB-CE1 3.78Å; P579-Y615 HydrophobicContact CB-CE2 4.18Å; P579-Y615 HydrophobicContact CB-CG 4.17Å; P579-Y615 HydrophobicContact CG-CE1 4.39Å; A585-Y615 HydrophobicContact CB-CD2 3.76Å; A585-Y615 HydrophobicContact CB-CG 4.05Å; R611-Y615 HydrophobicContact CG-CD2 4.03Å; R611-Y615 HydrophobicContact CG-CE2 4Å; R611-Y615 WeakPolarHBondContact O-CD2 3.38Å; R611-Y615 PolarHBondContact O-N 3.14Å; L612-Y615 PolarHBondContact O-N 3.18Å; I613-Y615 VanDerWaalsContact C-N 3.29Å; I613-Y615 PolarHBondContact O-N 3.16Å; Y615-R1074 PolarHBondContact O-NH1 3.18Å
616	G	92.8	Very high	94.3	Very high	28 Å²	28	36.2 Å²	36.2	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-114.3	-3.1	-172.9	0	0	0	0	0	116.7	A585 L612	A585-G616 PolarHBondContact O-N 2.86Å; L612-G616 PolarHBondContact O-N 3.14Å
617	G	96.1	Very high	94.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	17%	0.168	C	C	.	.			trans	76.8	-160.2	-177.2	0	0	0	0	0	114	G588 L589 I613	G588-G617 CarbonylContact C-O 3.49Å; G588-G617 VanDerWaalsContact CA-O 3.31Å; G588-G617 WeakPolarHBondContact CA-O 3.49Å; L589-G617 PolarHBondContact N-O 3.3Å; I613-G617 VanDerWaalsContact O-CA 3.28Å; I613-G617 WeakPolarHBondContact O-CA 3.3Å; I613-G617 PolarHBondContact O-N 3.47Å
618	I	97.7	Very high	95.2	Very high	9 Å²	9	28 Å²	28	5%	0.046	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-112.6	137.1	178.2	-51.3	175.5	0	0	0	110.7	I613 I622 R623 V626 L630 E1014	I613-I618 HydrophobicContact CD1-CG1 4.35Å; I613-I618 HydrophobicContact CG1-CG1 4.04Å; I613-I618 HydrophobicContact CG2-CG1 4.03Å; I618-I622 HydrophobicContact CG2-CD1 3.92Å; I618-I622 HydrophobicContact CG2-CG1 3.62Å; I618-R623 HydrophobicContact CB-CG 4.21Å; I618-R623 HydrophobicContact CG2-CG 4.06Å; I618-V626 HydrophobicContact CD1-CB 4.02Å; I618-V626 HydrophobicContact CD1-CG1 3.69Å; I618-V626 HydrophobicContact CG2-CB 4.46Å; I618-V626 HydrophobicContact CG2-CG2 4.33Å; I618-L630 HydrophobicContact CD1-CD1 3.79Å; I618-E1014 HydrophobicContact CB-CG 4.47Å; I618-E1014 WeakPolarHBondContact CB-OE2 3.27Å; I618-E1014 HydrophobicContact CD1-CB 4.35Å; I618-E1014 HydrophobicContact CD1-CG 3.58Å; I618-E1014 HydrophobicContact CG1-CB 4.31Å; I618-E1014 HydrophobicContact CG1-CG 3.85Å; I618-E1014 PolarHBondContact N-OE2 2.81Å
619	Q	96	Very high	95.3	Very high	69 Å²	69	27.1 Å²	27.1	32%	0.322	15%	0.145	S	C	.	.			trans	-61	130.2	171.5	-158.9	-163.6	-45.6	0	0	110.8	L589 E621 I622	L589-Q619 WeakPolarHBondContact O-CB 3.38Å; L589-Q619 PolarHBondContact O-N 2.87Å; Q619-E621 VanDerWaalsContact C-N 3.3Å; Q619-E621 WeakPolarHBondContact CG-OE2 3.31Å; Q619-E621 PolarHBondContact NE2-OE2 3.4Å; Q619-E621 PolarHBondContact O-N 2.86Å; Q619-E621 VanDerWaalsContact O-N 3.07Å; Q619-I622 HydrophobicContact CB-CG1 4.32Å; Q619-I622 VanDerWaalsContact O-CG1 3.27Å; Q619-I622 WeakPolarHBondContact O-CG1 3.43Å; Q619-I622 PolarHBondContact O-N 3.06Å; Q619-I622 VanDerWaalsContact O-N 3.16Å
620	P	95.1	Very high	95.4	Very high	72 Å²	72	28.1 Å²	28.1	47%	0.468	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-52.8	-39	-165.9	-31.5	37	0	0	0	115.9	I622 R623	P620-I622 VanDerWaalsContact C-N 3.25Å; P620-I622 PolarHBondContact O-N 2.81Å; P620-R623 PolarHBondContact O-N 3.27Å
621	E	95.3	Very high	95.4	Very high	138 Å²	138	28.9 Å²	28.9	65%	0.645	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-66.6	-24.2	-173.2	-58.4	73.3	-155.6	0	0	113.3	Q619	Q619-E621 VanDerWaalsContact C-N 3.3Å; Q619-E621 WeakPolarHBondContact CG-OE2 3.31Å; Q619-E621 PolarHBondContact NE2-OE2 3.4Å; Q619-E621 PolarHBondContact O-N 2.86Å; Q619-E621 VanDerWaalsContact O-N 3.07Å
622	I	96.2	Very high	95.3	Very high	18 Å²	18	30.6 Å²	30.6	9%	0.092	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-101.7	-2.3	-179.2	61.5	165.1	0	0	0	114.1	L589 A591 W594 I618 Q619 P620 K624 A625 V626	L589-I622 HydrophobicContact CD2-CD1 4.18Å; L589-I622 HydrophobicContact CG-CD1 3.95Å; A591-I622 HydrophobicContact CB-CG2 3.78Å; W594-I622 HydrophobicContact CB-CD1 3.79Å; W594-I622 HydrophobicContact CG-CD1 4.11Å; I618-I622 HydrophobicContact CG2-CD1 3.92Å; I618-I622 HydrophobicContact CG2-CG1 3.62Å; Q619-I622 HydrophobicContact CB-CG1 4.32Å; Q619-I622 VanDerWaalsContact O-CG1 3.27Å; Q619-I622 WeakPolarHBondContact O-CG1 3.43Å; Q619-I622 PolarHBondContact O-N 3.06Å; Q619-I622 VanDerWaalsContact O-N 3.16Å; P620-I622 VanDerWaalsContact C-N 3.25Å; P620-I622 PolarHBondContact O-N 2.81Å; I622-K624 VanDerWaalsContact C-N 3.31Å; I622-K624 PolarHBondContact O-N 3.45Å; I622-A625 WeakPolarHBondContact O-CA 3.29Å; I622-A625 WeakPolarHBondContact O-CB 3.35Å; I622-A625 PolarHBondContact O-N 3.21Å; I622-V626 HydrophobicContact CB-CG2 4.31Å; I622-V626 HydrophobicContact CD1-CG2 3.95Å; I622-V626 HydrophobicContact CG1-CG2 4.2Å; I622-V626 WeakPolarHBondContact O-CG2 3.44Å; I622-V626 PolarHBondContact O-N 3.31Å
623	R	96.6	Very high	95.1	Very high	17 Å²	17	32 Å²	32	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-51.4	-48	-179.7	-72.7	-178.6	165.7	144.9	-2.3	112.6	I618 P620 A625 V626 W627 I930 D1007 E1014	I618-R623 HydrophobicContact CB-CG 4.21Å; I618-R623 HydrophobicContact CG2-CG 4.06Å; P620-R623 PolarHBondContact O-N 3.27Å; R623-A625 PolarHBondContact O-N 2.56Å; R623-A625 VanDerWaalsContact O-N 3.14Å; R623-V626 PolarHBondContact O-N 3.14Å; R623-V626 VanDerWaalsContact O-N 3.16Å; R623-W627 WeakPolarHBondContact O-CB 3.3Å; R623-W627 VanDerWaalsContact O-CD1 3.31Å; R623-W627 PolarHBondContact O-N 2.78Å; R623-I930 HydrophobicContact CB-CD1 4.25Å; R623-I930 HydrophobicContact CB-CG2 3.74Å; R623-D1007 IonicContact NH1-OD1 2.8Å; R623-E1014 WeakPolarHBondContact CD-OE1 3.5Å; R623-E1014 WeakPolarHBondContact CG-OE1 3.4Å; R623-E1014 IonicContact CZ-OE1 2.74Å; R623-E1014 IonicContact NE-OE1 2.71Å; R623-E1014 PolarHBondContact NE-OE1 3.35Å; R623-E1014 IonicContact NE-OE2 3.61Å; R623-E1014 IonicContact NH2-OE1 3.44Å; R623-E1014 IonicContact NH2-OE2 3.45Å
624	K	95.8	Very high	94.9	Very high	101 Å²	101	32.9 Å²	32.9	44%	0.439	18%	0.183	S	C	.	.	H	α-helix	trans	-56.9	-27.3	176.6	-179.9	162.5	173	157.2	0	113.8	I622 I930 L931	I622-K624 VanDerWaalsContact C-N 3.31Å; I622-K624 PolarHBondContact O-N 3.45Å; K624-I930 HydrophobicContact CB-CG2 4.49Å; K624-I930 WeakPolarHBondContact CB-O 2.96Å; K624-L931 WeakPolarHBondContact CD-O 3.46Å; K624-L931 WeakPolarHBondContact CE-O 3.19Å; K624-L931 HydrophobicContact CG-CD2 4.42Å; K624-L931 PolarHBondContact NZ-O 2.85Å
625	A	93.7	Very high	94.4	Very high	42 Å²	42	39.1 Å²	39.1	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-91.1	-31.1	178.2	0	0	0	0	0	113.6	I622 R623 F629	I622-A625 WeakPolarHBondContact O-CA 3.29Å; I622-A625 WeakPolarHBondContact O-CB 3.35Å; I622-A625 PolarHBondContact O-N 3.21Å; R623-A625 PolarHBondContact O-N 2.56Å; R623-A625 VanDerWaalsContact O-N 3.14Å; A625-F629 VanDerWaalsContact O-CD2 3.3Å; A625-F629 WeakPolarHBondContact O-CD2 3.32Å; A625-F629 WeakPolarHBondContact O-CE2 3.44Å
626	V	95.6	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-91.6	-38.5	-174.8	-179.1	0	0	0	0	112.7	L589 W594 I613 I618 I622 R623 P628 F629 L630	L589-V626 HydrophobicContact CD2-CG1 3.99Å; L589-V626 HydrophobicContact CD2-CG2 3.84Å; W594-V626 HydrophobicContact CD2-CG2 3.67Å; W594-V626 HydrophobicContact CE3-CG2 4.06Å; W594-V626 HydrophobicContact CG-CG2 4.08Å; W594-V626 HydrophobicContact CH2-CG2 4.24Å; W594-V626 HydrophobicContact CZ2-CB 4.44Å; W594-V626 HydrophobicContact CZ2-CG2 3.86Å; W594-V626 HydrophobicContact CZ3-CG2 4.33Å; I613-V626 HydrophobicContact CD1-CG1 4.26Å; I618-V626 HydrophobicContact CD1-CB 4.02Å; I618-V626 HydrophobicContact CD1-CG1 3.69Å; I618-V626 HydrophobicContact CG2-CB 4.46Å; I618-V626 HydrophobicContact CG2-CG2 4.33Å; I622-V626 HydrophobicContact CB-CG2 4.31Å; I622-V626 HydrophobicContact CD1-CG2 3.95Å; I622-V626 HydrophobicContact CG1-CG2 4.2Å; I622-V626 WeakPolarHBondContact O-CG2 3.44Å; I622-V626 PolarHBondContact O-N 3.31Å; R623-V626 PolarHBondContact O-N 3.14Å; R623-V626 VanDerWaalsContact O-N 3.16Å; V626-P628 VanDerWaalsContact C-CD 3.47Å; V626-P628 VanDerWaalsContact C-N 3.35Å; V626-F629 WeakPolarHBondContact O-CB 3.49Å; V626-F629 PolarHBondContact O-N 2.84Å; V626-L630 HydrophobicContact CG1-CD1 4.42Å; V626-L630 HydrophobicContact CG1-CG 4.27Å; V626-L630 PolarHBondContact O-N 3.39Å
627	W	96.9	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-52.4	-41.3	-176.3	-81.8	28	0	0	0	114.3	R623 F629 L630 L631 P926 L927 I930 F1010 E1014 W1017	R623-W627 WeakPolarHBondContact O-CB 3.3Å; R623-W627 VanDerWaalsContact O-CD1 3.31Å; R623-W627 PolarHBondContact O-N 2.78Å; W627-F629 PolarHBondContact O-N 3.12Å; W627-L630 PolarHBondContact O-N 2.82Å; W627-L631 PolarHBondContact O-N 3.27Å; W627-P926 HydrophobicContact CH2-CB 4.33Å; W627-P926 HydrophobicContact CZ3-CB 4.5Å; W627-L927 HydrophobicContact CE3-CD2 3.86Å; W627-L927 HydrophobicContact CZ3-CD2 3.81Å; W627-I930 HydrophobicContact CD2-CB 4.4Å; W627-I930 HydrophobicContact CD2-CG2 3.82Å; W627-I930 HydrophobicContact CE3-CB 3.93Å; W627-I930 HydrophobicContact CE3-CG1 4.27Å; W627-I930 HydrophobicContact CE3-CG2 3.77Å; W627-I930 HydrophobicContact CG-CG2 4.31Å; W627-I930 HydrophobicContact CH2-CB 4.19Å; W627-I930 HydrophobicContact CH2-CG1 3.64Å; W627-I930 HydrophobicContact CZ2-CG1 3.92Å; W627-I930 HydrophobicContact CZ3-CB 3.81Å; W627-I930 HydrophobicContact CZ3-CG1 3.79Å; W627-I930 HydrophobicContact CZ3-CG2 4.15Å; W627-F1010 AromaticContact CH2-CD1 3.52Å; W627-F1010 HydrophobicContact CH2-CD1 3.52Å; W627-F1010 HydrophobicContact CH2-CE1 4.04Å; W627-F1010 HydrophobicContact CH2-CG 4.34Å; W627-F1010 HydrophobicContact CZ2-CB 4.01Å; W627-F1010 AromaticContact CZ2-CD1 3.79Å; W627-F1010 HydrophobicContact CZ2-CD1 3.79Å; W627-F1010 HydrophobicContact CZ2-CG 4.15Å; W627-E1014 HydrophobicContact CZ2-CG 4.5Å; W627-E1014 PolarHBondContact NE1-OE1 3.29Å; W627-W1017 HydrophobicContact CD2-CH2 4.11Å; W627-W1017 AromaticContact CD2-CZ3 3.85Å; W627-W1017 HydrophobicContact CD2-CZ3 3.85Å; W627-W1017 HydrophobicContact CE3-CH2 4.04Å; W627-W1017 HydrophobicContact CE3-CZ3 4.24Å; W627-W1017 HydrophobicContact CG-CZ3 4.01Å; W627-W1017 HydrophobicContact CH2-CH2 4.37Å; W627-W1017 HydrophobicContact CZ2-CH2 4.48Å; W627-W1017 HydrophobicContact CZ2-CZ3 4.49Å; W627-W1017 HydrophobicContact CZ3-CH2 4.19Å
628	P	95.4	Very high	92.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-24	175.9	-25	36.1	0	0	0	114.7	V626 G632 H633 Y634 L931 L936	V626-P628 VanDerWaalsContact C-CD 3.47Å; V626-P628 VanDerWaalsContact C-N 3.35Å; P628-G632 PolarHBondContact O-N 3.43Å; P628-H633 HydrophobicContact CB-CB 4.39Å; P628-H633 WeakPolarHBondContact O-CA 3.43Å; P628-H633 WeakPolarHBondContact O-CB 3.46Å; P628-H633 PolarHBondContact O-N 3.26Å; P628-Y634 HydrophobicContact CB-CD2 3.59Å; P628-Y634 HydrophobicContact CB-CE2 3.68Å; P628-Y634 HydrophobicContact CB-CG 4.31Å; P628-Y634 HydrophobicContact CG-CE2 4.24Å; P628-Y634 PolarHBondContact O-N 3.32Å; P628-L931 HydrophobicContact CG-CD2 4.15Å; P628-L936 HydrophobicContact CB-CD1 4.26Å; P628-L936 HydrophobicContact CG-CD1 4Å; P628-L936 HydrophobicContact CG-CD2 4.13Å; P628-L936 HydrophobicContact CG-CG 4.29Å
629	F	93.8	Very high	92.1	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-79.4	-44.1	173.3	-66	-97.9	0	0	0	111.6	W594 A625 V626 W627 L631 G632 Y634 Q635 F636 R643	W594-F629 HydrophobicContact CH2-CD1 4.46Å; W594-F629 AromaticContact CH2-CD2 3.63Å; W594-F629 HydrophobicContact CH2-CD2 3.63Å; W594-F629 AromaticContact CH2-CE2 3.72Å; W594-F629 HydrophobicContact CH2-CE2 3.72Å; W594-F629 HydrophobicContact CH2-CG 4.01Å; W594-F629 HydrophobicContact CH2-CZ 4.16Å; W594-F629 AromaticContact CZ2-CD2 3.76Å; W594-F629 HydrophobicContact CZ2-CD2 3.76Å; W594-F629 AromaticContact CZ2-CE2 3.55Å; W594-F629 HydrophobicContact CZ2-CE2 3.55Å; W594-F629 HydrophobicContact CZ2-CZ 4.22Å; A625-F629 VanDerWaalsContact O-CD2 3.3Å; A625-F629 WeakPolarHBondContact O-CD2 3.32Å; A625-F629 WeakPolarHBondContact O-CE2 3.44Å; V626-F629 WeakPolarHBondContact O-CB 3.49Å; V626-F629 PolarHBondContact O-N 2.84Å; W627-F629 PolarHBondContact O-N 3.12Å; F629-L631 VanDerWaalsContact C-N 3.28Å; F629-L631 PolarHBondContact O-N 3.4Å; F629-G632 PolarHBondContact O-N 3.06Å; F629-Y634 HydrophobicContact CD2-CD2 4.03Å; F629-Y634 AromaticContact CE2-CD2 3.74Å; F629-Y634 HydrophobicContact CE2-CD2 3.74Å; F629-Y634 HydrophobicContact CZ-CD2 4.05Å; F629-Y634 HydrophobicContact CZ-CG 4.49Å; F629-Q635 WeakPolarHBondContact CE1-O 3.45Å; F629-F636 HydrophobicContact CB-CD1 4.46Å; F629-F636 HydrophobicContact CB-CE1 3.92Å; F629-F636 HydrophobicContact CB-CE2 4.15Å; F629-F636 HydrophobicContact CB-CZ 3.75Å; F629-F636 HydrophobicContact CD1-CD1 4.24Å; F629-F636 HydrophobicContact CD1-CE1 4.47Å; F629-F636 HydrophobicContact CD1-CG 4.49Å; F629-F636 HydrophobicContact CG-CE1 4.46Å; F629-R643 VanDerWaalsContact CZ-CD 3.49Å
630	L	94.9	Very high	91.3	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-34.5	177.3	-72.1	-177.1	0	0	0	113.2	L610 I613 I618 V626 W627 G632 F636 W1017	L610-L630 HydrophobicContact CD2-CD2 3.53Å; I613-L630 HydrophobicContact CD1-CD1 4.21Å; I613-L630 HydrophobicContact CD1-CD2 3.95Å; I613-L630 HydrophobicContact CD1-CG 4.42Å; I613-L630 HydrophobicContact CG2-CD1 4.23Å; I618-L630 HydrophobicContact CD1-CD1 3.79Å; V626-L630 HydrophobicContact CG1-CD1 4.42Å; V626-L630 HydrophobicContact CG1-CG 4.27Å; V626-L630 PolarHBondContact O-N 3.39Å; W627-L630 PolarHBondContact O-N 2.82Å; L630-G632 VanDerWaalsContact C-N 3.29Å; L630-F636 HydrophobicContact CD2-CZ 4.44Å; L630-W1017 HydrophobicContact CB-CB 4.28Å; L630-W1017 HydrophobicContact CB-CE3 3.85Å; L630-W1017 HydrophobicContact CD1-CE3 3.95Å
631	L	94.5	Very high	90.6	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.2	174.4	-68.8	170	0	0	0	112.8	W627 F629 L927 C940 E943 L944 W1017	W627-L631 PolarHBondContact O-N 3.27Å; F629-L631 VanDerWaalsContact C-N 3.28Å; F629-L631 PolarHBondContact O-N 3.4Å; L631-L927 HydrophobicContact CD1-CD2 3.67Å; L631-C940 HydrophobicContact CD1-CB 3.71Å; L631-E943 HydrophobicContact CB-CB 4.46Å; L631-E943 VanDerWaalsContact O-CB 3.26Å; L631-E943 WeakPolarHBondContact O-CB 3.43Å; L631-L944 HydrophobicContact CD2-CB 4.15Å; L631-L944 HydrophobicContact CD2-CD1 4.27Å; L631-W1017 HydrophobicContact CD1-CH2 4.09Å; L631-W1017 HydrophobicContact CD1-CZ3 4.37Å; L631-W1017 HydrophobicContact CD2-CD2 4.03Å; L631-W1017 HydrophobicContact CD2-CE3 4.32Å; L631-W1017 HydrophobicContact CD2-CH2 4Å; L631-W1017 HydrophobicContact CD2-CZ2 3.68Å; L631-W1017 HydrophobicContact CD2-CZ3 4.31Å; L631-W1017 HydrophobicContact CG-CE3 4.33Å; L631-W1017 HydrophobicContact CG-CH2 4.14Å; L631-W1017 HydrophobicContact CG-CZ2 4.33Å; L631-W1017 HydrophobicContact CG-CZ3 4.15Å
632	G	91.3	Very high	90	Very high	43 Å²	43	45.2 Å²	45.2	44%	0.443	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	11.4	178.2	0	0	0	0	0	115.4	P628 F629 L630 Y634	P628-G632 PolarHBondContact O-N 3.43Å; F629-G632 PolarHBondContact O-N 3.06Å; L630-G632 VanDerWaalsContact C-N 3.29Å; G632-Y634 VanDerWaalsContact C-N 3.34Å
633	H	91.6	Very high	89.4	Confident	34 Å²	34	46.4 Å²	46.4	16%	0.157	25%	0.253	C	S	.	.	S	Bend	trans	-67	-37.2	170.5	176	58.2	0	0	0	111.3	P628 E943	P628-H633 HydrophobicContact CB-CB 4.39Å; P628-H633 WeakPolarHBondContact O-CA 3.43Å; P628-H633 WeakPolarHBondContact O-CB 3.46Å; P628-H633 PolarHBondContact O-N 3.26Å; H633-E943 HydrophobicContact CB-CG 4.35Å
634	Y	91.3	Very high	88.5	Confident	21 Å²	21	50.9 Å²	50.9	8%	0.082	27%	0.273	C	S	.	.	S	Bend	trans	-109.7	146.5	164.9	-56.5	-35.4	0	0	0	110.1	P628 F629 G632 R643 S647	P628-Y634 HydrophobicContact CB-CD2 3.59Å; P628-Y634 HydrophobicContact CB-CE2 3.68Å; P628-Y634 HydrophobicContact CB-CG 4.31Å; P628-Y634 HydrophobicContact CG-CE2 4.24Å; P628-Y634 PolarHBondContact O-N 3.32Å; F629-Y634 HydrophobicContact CD2-CD2 4.03Å; F629-Y634 AromaticContact CE2-CD2 3.74Å; F629-Y634 HydrophobicContact CE2-CD2 3.74Å; F629-Y634 HydrophobicContact CZ-CD2 4.05Å; F629-Y634 HydrophobicContact CZ-CG 4.49Å; G632-Y634 VanDerWaalsContact C-N 3.34Å; Y634-R643 HydrophobicContact CD1-CB 4.33Å; Y634-R643 HydrophobicContact CD1-CG 3.8Å; Y634-R643 HydrophobicContact CD2-CG 4.13Å; Y634-R643 HydrophobicContact CE1-CB 4.08Å; Y634-R643 HydrophobicContact CE1-CG 4.06Å; Y634-R643 HydrophobicContact CE2-CG 4.38Å; Y634-R643 HydrophobicContact CG-CG 3.85Å; Y634-S647 PolarHBondContact OH-OG 2.85Å
635	Q	87.6	Confident	87.7	Confident	136 Å²	136	52.2 Å²	52.2	64%	0.636	28%	0.281	S	S	*	.			trans	-91.1	142.1	172.1	-62.5	178.1	11.5	0	0	109.9	F629 G637 M638	F629-Q635 WeakPolarHBondContact CE1-O 3.45Å; Q635-G637 PolarHBondContact O-N 3.27Å; Q635-M638 HydrophobicContact CB-CE 4.13Å; Q635-M638 HydrophobicContact CB-CG 4.08Å; Q635-M638 HydrophobicContact CB-SD 4.08Å; Q635-M638 HydrophobicContact CG-CE 4.14Å; Q635-M638 PolarHBondContact N-SD 3.37Å; Q635-M638 WeakPolarHBondContact O-CB 3.39Å; Q635-M638 WeakPolarHBondContact O-CG 3.46Å; Q635-M638 PolarHBondContact O-N 2.9Å; Q635-M638 VanDerWaalsContact O-N 3.16Å
636	F	86.1	Confident	86.7	Confident	40 Å²	40	52.1 Å²	52.1	18%	0.175	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.6	170.2	-71	-80.3	0	0	0	109.7	W594 Y597 E606 L609 F629 L630	W594-F636 HydrophobicContact CZ3-CE1 4.39Å; Y597-F636 HydrophobicContact CE1-CD1 4.15Å; Y597-F636 WeakPolarHBondContact OH-CA 3.33Å; Y597-F636 WeakPolarHBondContact OH-CB 3.48Å; E606-F636 HydrophobicContact CB-CB 4.48Å; E606-F636 VanDerWaalsContact CD-CD2 3.43Å; E606-F636 HydrophobicContact CG-CB 4.05Å; E606-F636 HydrophobicContact CG-CD1 4.3Å; E606-F636 HydrophobicContact CG-CD2 3.6Å; E606-F636 HydrophobicContact CG-CE2 4.09Å; E606-F636 HydrophobicContact CG-CG 3.72Å; E606-F636 WeakPolarHBondContact OE1-CD2 3.28Å; L609-F636 HydrophobicContact CD1-CD1 4.32Å; L609-F636 HydrophobicContact CD1-CE1 4.22Å; F629-F636 HydrophobicContact CB-CD1 4.46Å; F629-F636 HydrophobicContact CB-CE1 3.92Å; F629-F636 HydrophobicContact CB-CE2 4.15Å; F629-F636 HydrophobicContact CB-CZ 3.75Å; F629-F636 HydrophobicContact CD1-CD1 4.24Å; F629-F636 HydrophobicContact CD1-CE1 4.47Å; F629-F636 HydrophobicContact CD1-CG 4.49Å; F629-F636 HydrophobicContact CG-CE1 4.46Å; L630-F636 HydrophobicContact CD2-CZ 4.44Å
637	G	81.9	Confident	85.6	Confident	39 Å²	39	54.2 Å²	54.2	40%	0.402	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-11.1	-173.7	0	0	0	0	0	115.9	Y597 Q635	Y597-G637 PolarHBondContact OH-N 3.03Å; Q635-G637 PolarHBondContact O-N 3.27Å
638	M	83.1	Confident	84.1	Confident	52 Å²	52	60.1 Å²	60.1	26%	0.256	32%	0.32	S	S	.	.			trans	-64	133.7	177.1	-79.1	-178	159.7	0	0	113.3	Q635 R643	Q635-M638 HydrophobicContact CB-CE 4.13Å; Q635-M638 HydrophobicContact CB-CG 4.08Å; Q635-M638 HydrophobicContact CB-SD 4.08Å; Q635-M638 HydrophobicContact CG-CE 4.14Å; Q635-M638 PolarHBondContact N-SD 3.37Å; Q635-M638 WeakPolarHBondContact O-CB 3.39Å; Q635-M638 WeakPolarHBondContact O-CG 3.46Å; Q635-M638 PolarHBondContact O-N 2.9Å; Q635-M638 VanDerWaalsContact O-N 3.16Å; M638-R643 HydrophobicContact CB-CG 4.02Å; M638-R643 HydrophobicContact SD-CG 4.49Å
639	T	80.8	Confident	82.6	Confident	65 Å²	65	64 Å²	64	40%	0.399	35%	0.347	S	S	.	.			trans	-66.8	161.9	174.7	64.7	0	0	0	0	112.2	T641 E642 R643	T639-T641 PolarHBondContact O-N 2.99Å; T639-T641 PolarHBondContact OG1-OG1 3.35Å; T639-E642 VanDerWaalsContact CB-OE2 3.27Å; T639-E642 WeakPolarHBondContact CB-OE2 3.5Å; T639-E642 WeakPolarHBondContact CG2-OE2 3.44Å; T639-E642 PolarHBondContact N-OE2 3.47Å; T639-E642 PolarHBondContact O-N 3.22Å; T639-E642 VanDerWaalsContact OG1-CD 3.26Å; T639-E642 VanDerWaalsContact OG1-CG 3.3Å; T639-E642 WeakPolarHBondContact OG1-CG 3.22Å; T639-E642 PolarHBondContact OG1-N 2.89Å; T639-E642 PolarHBondContact OG1-OE2 2.95Å; T639-R643 WeakPolarHBondContact O-CG 3.1Å; T639-R643 PolarHBondContact O-N 3.35Å; T639-R643 PolarHBondContact O-NE 3Å
640	E	80	Confident	81.2	Confident	115 Å²	115	66 Å²	66	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-31.3	174.3	-158.4	-164.8	151.6	0	0	112.5	K644	E640-K644 HydrophobicContact CG-CD 4.49Å; E640-K644 WeakPolarHBondContact O-CB 3.48Å; E640-K644 WeakPolarHBondContact O-CG 3.41Å; E640-K644 PolarHBondContact O-N 3.12Å; E640-K644 WeakPolarHBondContact OE1-CE 3.47Å; E640-K644 IonicContact OE1-NZ 3.21Å; E640-K644 PolarHBondContact OE1-NZ 3.02Å
641	T	79.4	Confident	79.4	Confident	89 Å²	89	67.1 Å²	67.1	55%	0.546	37%	0.371	S	S	.	.	H	α-helix	trans	-64.9	-51.4	174.8	27.9	0	0	0	0	112.2	T639 R643 K644 E645	T639-T641 PolarHBondContact O-N 2.99Å; T639-T641 PolarHBondContact OG1-OG1 3.35Å; T641-R643 VanDerWaalsContact C-N 3.27Å; T641-R643 PolarHBondContact O-N 3.24Å; T641-K644 PolarHBondContact O-N 3.38Å; T641-K644 VanDerWaalsContact O-N 3.12Å; T641-E645 WeakPolarHBondContact O-CG 3.47Å; T641-E645 PolarHBondContact O-N 3.35Å
642	E	82.8	Confident	77.5	Confident	89 Å²	89	69 Å²	69	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-35.9	179.1	-69	159.1	130.6	0	0	111.7	T639 S646	T639-E642 VanDerWaalsContact CB-OE2 3.27Å; T639-E642 WeakPolarHBondContact CB-OE2 3.5Å; T639-E642 WeakPolarHBondContact CG2-OE2 3.44Å; T639-E642 PolarHBondContact N-OE2 3.47Å; T639-E642 PolarHBondContact O-N 3.22Å; T639-E642 VanDerWaalsContact OG1-CD 3.26Å; T639-E642 VanDerWaalsContact OG1-CG 3.3Å; T639-E642 WeakPolarHBondContact OG1-CG 3.22Å; T639-E642 PolarHBondContact OG1-N 2.89Å; T639-E642 PolarHBondContact OG1-OE2 2.95Å; E642-S646 WeakPolarHBondContact O-CB 3.3Å; E642-S646 PolarHBondContact O-N 2.66Å; E642-S646 PolarHBondContact O-OG 2.61Å
643	R	84.5	Confident	75.8	Confident	42 Å²	42	68.7 Å²	68.7	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-68.6	-37.3	175	-70.2	-174.2	-70.3	134.5	-2.5	112.8	F629 Y634 M638 T639 T641 S647	F629-R643 VanDerWaalsContact CZ-CD 3.49Å; Y634-R643 HydrophobicContact CD1-CB 4.33Å; Y634-R643 HydrophobicContact CD1-CG 3.8Å; Y634-R643 HydrophobicContact CD2-CG 4.13Å; Y634-R643 HydrophobicContact CE1-CB 4.08Å; Y634-R643 HydrophobicContact CE1-CG 4.06Å; Y634-R643 HydrophobicContact CE2-CG 4.38Å; Y634-R643 HydrophobicContact CG-CG 3.85Å; M638-R643 HydrophobicContact CB-CG 4.02Å; M638-R643 HydrophobicContact SD-CG 4.49Å; T639-R643 WeakPolarHBondContact O-CG 3.1Å; T639-R643 PolarHBondContact O-N 3.35Å; T639-R643 PolarHBondContact O-NE 3Å; T641-R643 VanDerWaalsContact C-N 3.27Å; T641-R643 PolarHBondContact O-N 3.24Å; R643-S647 WeakPolarHBondContact O-CB 3.4Å; R643-S647 PolarHBondContact O-N 2.88Å; R643-S647 PolarHBondContact O-OG 2.96Å
644	K	78.4	Confident	73.9	Confident	112 Å²	112	69.1 Å²	69.1	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-66.6	-44	174.1	-79.1	168.1	171.7	170.5	0	111.8	E640 T641 S647 Q648	E640-K644 HydrophobicContact CG-CD 4.49Å; E640-K644 WeakPolarHBondContact O-CB 3.48Å; E640-K644 WeakPolarHBondContact O-CG 3.41Å; E640-K644 PolarHBondContact O-N 3.12Å; E640-K644 WeakPolarHBondContact OE1-CE 3.47Å; E640-K644 IonicContact OE1-NZ 3.21Å; E640-K644 PolarHBondContact OE1-NZ 3.02Å; T641-K644 PolarHBondContact O-N 3.38Å; T641-K644 VanDerWaalsContact O-N 3.12Å; K644-S647 PolarHBondContact O-N 3.39Å; K644-Q648 WeakPolarHBondContact O-CB 3.46Å; K644-Q648 VanDerWaalsContact O-CG 3.3Å; K644-Q648 WeakPolarHBondContact O-CG 3.3Å; K644-Q648 PolarHBondContact O-N 2.9Å
645	E	77.5	Confident	72	Confident	129 Å²	129	74.4 Å²	74.4	60%	0.603	41%	0.408	S	S	*	.	H	α-helix	trans	-62.2	-45.2	175.1	-70.5	173.8	-174.8	0	0	111.7	T641 S647 Q648 S649	T641-E645 WeakPolarHBondContact O-CG 3.47Å; T641-E645 PolarHBondContact O-N 3.35Å; E645-S647 PolarHBondContact O-N 2.88Å; E645-Q648 PolarHBondContact O-N 3.13Å; E645-S649 PolarHBondContact O-N 3.41Å
646	S	73.6	Confident	70	Confident	40 Å²	40	72.7 Å²	72.7	28%	0.28	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-46.2	175.1	-59.1	0	0	0	0	111.9	E642 Q648 S649 C650	E642-S646 WeakPolarHBondContact O-CB 3.3Å; E642-S646 PolarHBondContact O-N 2.66Å; E642-S646 PolarHBondContact O-OG 2.61Å; S646-Q648 PolarHBondContact O-N 3.35Å; S646-S649 WeakPolarHBondContact O-CB 3.33Å; S646-S649 PolarHBondContact O-N 2.89Å; S646-C650 PolarHBondContact O-N 2.71Å; S646-C650 VanDerWaalsContact O-N 3.1Å; S646-C650 PolarHBondContact O-SG 2.94Å
647	S	72.1	Confident	68.3	Low	44 Å²	44	72.2 Å²	72.2	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-40.7	178.7	-53.9	0	0	0	0	112.2	Y634 R643 K644 E645 C650 S651	Y634-S647 PolarHBondContact OH-OG 2.85Å; R643-S647 WeakPolarHBondContact O-CB 3.4Å; R643-S647 PolarHBondContact O-N 2.88Å; R643-S647 PolarHBondContact O-OG 2.96Å; K644-S647 PolarHBondContact O-N 3.39Å; E645-S647 PolarHBondContact O-N 2.88Å; S647-C650 PolarHBondContact O-N 3.36Å; S647-S651 PolarHBondContact O-N 3.19Å
648	Q	65.3	Low	66.5	Low	124 Å²	124	75.7 Å²	75.7	58%	0.579	40%	0.403	S	S	*	.	H	α-helix	trans	-64	-42.3	175.8	-74.3	173	5.5	0	0	111.5	K644 E645 S646 C650 S651 S652	K644-Q648 WeakPolarHBondContact O-CB 3.46Å; K644-Q648 VanDerWaalsContact O-CG 3.3Å; K644-Q648 WeakPolarHBondContact O-CG 3.3Å; K644-Q648 PolarHBondContact O-N 2.9Å; E645-Q648 PolarHBondContact O-N 3.13Å; S646-Q648 PolarHBondContact O-N 3.35Å; Q648-C650 PolarHBondContact O-N 2.99Å; Q648-S651 PolarHBondContact O-N 3.14Å; Q648-S651 PolarHBondContact O-OG 3.22Å; Q648-S652 WeakPolarHBondContact O-CB 3.47Å; Q648-S652 PolarHBondContact O-N 3.47Å; Q648-S652 PolarHBondContact O-OG 2.98Å
649	S	64.5	Low	64.4	Low	83 Å²	83	79.2 Å²	79.2	58%	0.58	42%	0.422	S	S	*	.	H	α-helix	trans	-57.5	-49	174.9	-169.8	0	0	0	0	112.2	E645 S646 S651 S652 G653	E645-S649 PolarHBondContact O-N 3.41Å; S646-S649 WeakPolarHBondContact O-CB 3.33Å; S646-S649 PolarHBondContact O-N 2.89Å; S649-S651 PolarHBondContact O-N 3.01Å; S649-S652 PolarHBondContact O-N 2.83Å; S649-S652 VanDerWaalsContact O-N 3.13Å; S649-G653 PolarHBondContact O-N 2.99Å
650	C	63.8	Low	62.6	Low	48 Å²	48	79.4 Å²	79.4	32%	0.324	42%	0.419	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.4	-66.7	0	0	0	0	112.6	S646 S647 Q648 S652 R654	S646-C650 PolarHBondContact O-N 2.71Å; S646-C650 VanDerWaalsContact O-N 3.1Å; S646-C650 PolarHBondContact O-SG 2.94Å; S647-C650 PolarHBondContact O-N 3.36Å; Q648-C650 PolarHBondContact O-N 2.99Å; C650-S652 VanDerWaalsContact C-N 3.28Å; C650-S652 PolarHBondContact O-N 2.94Å; C650-R654 PolarHBondContact O-N 3.47Å; C650-R654 VanDerWaalsContact O-N 3.1Å
651	S	58	Low	60.9	Low	45 Å²	45	75.5 Å²	75.5	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-33.4	176.1	75.6	0	0	0	0	113	S647 Q648 S649 R654 Q655	S647-S651 PolarHBondContact O-N 3.19Å; Q648-S651 PolarHBondContact O-N 3.14Å; Q648-S651 PolarHBondContact O-OG 3.22Å; S649-S651 PolarHBondContact O-N 3.01Å; S651-R654 PolarHBondContact O-N 3.23Å; S651-Q655 WeakPolarHBondContact O-CG 3.48Å; S651-Q655 PolarHBondContact O-N 2.97Å
652	S	54.7	Low	59	Low	60 Å²	60	76.3 Å²	76.3	42%	0.42	41%	0.405	S	S	.	.	H	α-helix	trans	-74.9	-41	-178.1	-55.9	0	0	0	0	111.6	Q648 S649 C650 R654 Q655 N656	Q648-S652 WeakPolarHBondContact O-CB 3.47Å; Q648-S652 PolarHBondContact O-N 3.47Å; Q648-S652 PolarHBondContact O-OG 2.98Å; S649-S652 PolarHBondContact O-N 2.83Å; S649-S652 VanDerWaalsContact O-N 3.13Å; C650-S652 VanDerWaalsContact C-N 3.28Å; C650-S652 PolarHBondContact O-N 2.94Å; S652-R654 VanDerWaalsContact C-N 3.29Å; S652-R654 PolarHBondContact O-N 3.06Å; S652-Q655 PolarHBondContact O-N 2.9Å; S652-N656 PolarHBondContact O-N 3.41Å
653	G	55	Low	57	Low	36 Å²	36	74.8 Å²	74.8	37%	0.371	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-41.8	169.3	0	0	0	0	0	112	S649 N656 I657	S649-G653 PolarHBondContact O-N 2.99Å; G653-N656 PolarHBondContact O-N 2.91Å; G653-I657 WeakPolarHBondContact O-CG1 3.36Å; G653-I657 PolarHBondContact O-N 3.41Å
654	R	51.9	Low	55	Low	42 Å²	42	76.5 Å²	76.5	16%	0.158	42%	0.423	C	S	.	.	H	α-helix	trans	-67.8	-34.6	178.1	-172.3	172.7	175.8	-122	-15.4	113.6	C650 S651 S652 I657 R658 E934	C650-R654 PolarHBondContact O-N 3.47Å; C650-R654 VanDerWaalsContact O-N 3.1Å; S651-R654 PolarHBondContact O-N 3.23Å; S652-R654 VanDerWaalsContact C-N 3.29Å; S652-R654 PolarHBondContact O-N 3.06Å; R654-I657 PolarHBondContact O-N 3.04Å; R654-R658 WeakPolarHBondContact O-CB 3.12Å; R654-R658 PolarHBondContact O-N 3.47Å; R654-E934 IonicContact CZ-OE1 2.64Å; R654-E934 IonicContact CZ-OE2 3.18Å; R654-E934 IonicContact NH1-OE1 3.46Å; R654-E934 IonicContact NH1-OE2 2.93Å; R654-E934 PolarHBondContact NH1-OE2 3.26Å; R654-E934 IonicContact NH2-OE1 3.61Å; R654-E934 PolarHBondContact NH2-OE1 3Å; R654-E934 IonicContact NH2-OE2 3.8Å; R654-E934 PolarHBondContact NH2-OE2 2.98Å
655	Q	50.4	Low	53.2	Low	133 Å²	133	73.9 Å²	73.9	62%	0.621	42%	0.418	S	S	*	.	H	α-helix	trans	-62.2	-41.9	175.2	-77.8	-179.3	-0.2	0	0	112	S651 S652 R658 L659	S651-Q655 WeakPolarHBondContact O-CG 3.48Å; S651-Q655 PolarHBondContact O-N 2.97Å; S652-Q655 PolarHBondContact O-N 2.9Å; Q655-R658 PolarHBondContact O-N 2.95Å; Q655-L659 WeakPolarHBondContact O-CG 3.5Å; Q655-L659 PolarHBondContact O-N 3.31Å
656	N	47	Very low	51.3	Low	99 Å²	99	69.1 Å²	69.1	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-46.2	172.9	-72.6	-42.4	0	0	0	111.6	S652 G653 R658 L659 H660	S652-N656 PolarHBondContact O-N 3.41Å; G653-N656 PolarHBondContact O-N 2.91Å; N656-R658 PolarHBondContact O-N 2.91Å; N656-L659 PolarHBondContact O-N 3.41Å; N656-H660 PolarHBondContact O-CD2 2.68Å; N656-H660 PolarHBondContact O-N 2.97Å
657	I	48.9	Very low	49.6	Very low	31 Å²	31	71 Å²	71	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-62.4	-42.7	179.4	-66.3	170.2	0	0	0	111.3	G653 R654 L659 H660 S661 Q910	G653-I657 WeakPolarHBondContact O-CG1 3.36Å; G653-I657 PolarHBondContact O-N 3.41Å; R654-I657 PolarHBondContact O-N 3.04Å; I657-L659 VanDerWaalsContact C-N 3.34Å; I657-L659 PolarHBondContact O-N 2.94Å; I657-H660 CarbonylContact O-C 3.55Å; I657-H660 WeakPolarHBondContact O-CA 3.26Å; I657-H660 WeakPolarHBondContact O-CB 3Å; I657-H660 PolarHBondContact O-N 3.08Å; I657-S661 PolarHBondContact O-N 3Å; I657-S661 PolarHBondContact O-OG 3.31Å; I657-Q910 HydrophobicContact CD1-CG 4.33Å
658	R	45.1	Very low	48	Very low	112 Å²	112	74.6 Å²	74.6	42%	0.423	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.4	-170.7	167.3	-169.3	154.1	9.4	111.5	R654 Q655 N656 H660 S661 D662	R654-R658 WeakPolarHBondContact O-CB 3.12Å; R654-R658 PolarHBondContact O-N 3.47Å; Q655-R658 PolarHBondContact O-N 2.95Å; N656-R658 PolarHBondContact O-N 2.91Å; R658-H660 PolarHBondContact O-N 3.31Å; R658-S661 PolarHBondContact O-N 3.01Å; R658-D662 VanDerWaalsContact CG-OD2 3.23Å; R658-D662 WeakPolarHBondContact CG-OD2 3.28Å; R658-D662 IonicContact NE-OD2 2.7Å; R658-D662 VanDerWaalsContact O-CB 3.24Å; R658-D662 WeakPolarHBondContact O-CB 3.5Å; R658-D662 PolarHBondContact O-N 2.86Å
659	L	39.8	Very low	46.9	Very low	125 Å²	125	71.6 Å²	71.6	65%	0.654	41%	0.411	S	S	*	.	H	α-helix	trans	-66	-20.3	172.8	-69.4	168.6	0	0	0	114	Q655 N656 I657 S663	Q655-L659 WeakPolarHBondContact O-CG 3.5Å; Q655-L659 PolarHBondContact O-N 3.31Å; N656-L659 PolarHBondContact O-N 3.41Å; I657-L659 VanDerWaalsContact C-N 3.34Å; I657-L659 PolarHBondContact O-N 2.94Å; L659-S663 PolarHBondContact O-N 2.94Å
660	H	42.6	Very low	45.8	Very low	69 Å²	69	72.2 Å²	72.2	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-86.3	-35.3	172.7	-77.6	-66.1	0	0	0	113	N656 I657 R658 S663 Y863	N656-H660 PolarHBondContact O-CD2 2.68Å; N656-H660 PolarHBondContact O-N 2.97Å; I657-H660 CarbonylContact O-C 3.55Å; I657-H660 WeakPolarHBondContact O-CA 3.26Å; I657-H660 WeakPolarHBondContact O-CB 3Å; I657-H660 PolarHBondContact O-N 3.08Å; R658-H660 PolarHBondContact O-N 3.31Å; H660-S663 WeakPolarHBondContact O-CB 3.34Å; H660-Y863 PolarHBondContact ND1-OH 2.98Å
661	S	43	Very low	44.6	Very low	34 Å²	34	76.5 Å²	76.5	24%	0.238	42%	0.419	C	S	.	.	H	α-helix	trans	-74.7	-36.8	173.2	-58.1	0	0	0	0	112.9	I657 R658 S663 S666	I657-S661 PolarHBondContact O-N 3Å; I657-S661 PolarHBondContact O-OG 3.31Å; R658-S661 PolarHBondContact O-N 3.01Å; S661-S663 PolarHBondContact O-N 2.9Å; S661-S666 WeakPolarHBondContact O-CB 3.33Å; S661-S666 PolarHBondContact O-OG 2.84Å
662	D	41.2	Very low	43.7	Very low	106 Å²	106	78 Å²	78	57%	0.567	43%	0.429	S	S	*	.	S	Bend	trans	-82.3	2.6	175.5	-58.6	-15.3	0	0	0	111.5	R658	R658-D662 VanDerWaalsContact CG-OD2 3.23Å; R658-D662 WeakPolarHBondContact CG-OD2 3.28Å; R658-D662 IonicContact NE-OD2 2.7Å; R658-D662 VanDerWaalsContact O-CB 3.24Å; R658-D662 WeakPolarHBondContact O-CB 3.5Å; R658-D662 PolarHBondContact O-N 2.86Å
663	S	40.3	Very low	43	Very low	56 Å²	56	78.6 Å²	78.6	39%	0.392	43%	0.43	S	S	.	.	S	Bend	trans	-68.7	141.1	173.5	-174.4	0	0	0	0	110.8	L659 H660 S661 S665 S666	L659-S663 PolarHBondContact O-N 2.94Å; H660-S663 WeakPolarHBondContact O-CB 3.34Å; S661-S663 PolarHBondContact O-N 2.9Å; S663-S665 PolarHBondContact O-N 3.14Å; S663-S666 PolarHBondContact O-N 3.36Å
664	S	41.4	Very low	42.1	Very low	78 Å²	78	80.1 Å²	80.1	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-58.9	-10.6	-167.7	-49.2	0	0	0	0	116.3	T667 Q668	S664-T667 WeakPolarHBondContact CA-OG1 3.33Å; S664-Q668 WeakPolarHBondContact O-CB 3.47Å; S664-Q668 VanDerWaalsContact O-CG 3.28Å; S664-Q668 WeakPolarHBondContact O-CG 3.34Å; S664-Q668 PolarHBondContact O-N 3.12Å
665	S	40.7	Very low	41.5	Very low	57 Å²	57	85.2 Å²	85.2	40%	0.399	46%	0.456	S	S	.	.	H	α-helix	trans	-70.9	-27.1	172.9	-169.3	0	0	0	0	113.4	S663	S663-S665 PolarHBondContact O-N 3.14Å
666	S	37.3	Very low	41.2	Very low	30 Å²	30	83.8 Å²	83.8	21%	0.21	46%	0.455	C	S	.	.	H	α-helix	trans	-82.2	-41.7	176	-65.4	0	0	0	0	111.3	S661 S663 Q668 V669 F670	S661-S666 WeakPolarHBondContact O-CB 3.33Å; S661-S666 PolarHBondContact O-OG 2.84Å; S663-S666 PolarHBondContact O-N 3.36Å; S666-Q668 VanDerWaalsContact C-N 3.34Å; S666-Q668 PolarHBondContact O-N 3.23Å; S666-V669 PolarHBondContact O-N 3.48Å; S666-V669 VanDerWaalsContact O-N 3.12Å; S666-F670 PolarHBondContact O-N 3.07Å
667	T	38.9	Very low	40.8	Very low	78 Å²	78	81.2 Å²	81.2	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-66	-33.4	178	13	0	0	0	0	113.1	S664 V669 F670 E671	S664-T667 WeakPolarHBondContact CA-OG1 3.33Å; T667-V669 VanDerWaalsContact C-N 3.26Å; T667-V669 PolarHBondContact O-N 2.93Å; T667-F670 WeakPolarHBondContact O-CB 3.1Å; T667-F670 PolarHBondContact O-N 2.96Å; T667-F670 VanDerWaalsContact O-N 3.13Å; T667-E671 PolarHBondContact O-N 3.46Å
668	Q	39	Very low	40.2	Very low	121 Å²	121	85.4 Å²	85.4	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-67.2	-22.8	172.2	-77.3	177.7	-7.3	0	0	114	S664 S666 S672	S664-Q668 WeakPolarHBondContact O-CB 3.47Å; S664-Q668 VanDerWaalsContact O-CG 3.28Å; S664-Q668 WeakPolarHBondContact O-CG 3.34Å; S664-Q668 PolarHBondContact O-N 3.12Å; S666-Q668 VanDerWaalsContact C-N 3.34Å; S666-Q668 PolarHBondContact O-N 3.23Å; Q668-S672 VanDerWaalsContact O-CB 3.28Å; Q668-S672 WeakPolarHBondContact O-CB 3.4Å; Q668-S672 PolarHBondContact O-N 3.32Å; Q668-S672 PolarHBondContact O-OG 2.73Å
669	V	42.3	Very low	40	Very low	60 Å²	60	85.5 Å²	85.5	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-77.4	-33	170.8	175.5	0	0	0	0	110.7	S666 T667 V673	S666-V669 PolarHBondContact O-N 3.48Å; S666-V669 VanDerWaalsContact O-N 3.12Å; T667-V669 VanDerWaalsContact C-N 3.26Å; T667-V669 PolarHBondContact O-N 2.93Å; V669-V673 WeakPolarHBondContact O-CG2 3.2Å; V669-V673 PolarHBondContact O-N 3.16Å
670	F	41.3	Very low	40	Very low	96 Å²	96	88 Å²	88	42%	0.421	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-50.2	173.2	-88.6	-97.9	0	0	0	112.3	S666 T667 S672 V673 D674 L875	S666-F670 PolarHBondContact O-N 3.07Å; T667-F670 WeakPolarHBondContact O-CB 3.1Å; T667-F670 PolarHBondContact O-N 2.96Å; T667-F670 VanDerWaalsContact O-N 3.13Å; F670-S672 VanDerWaalsContact C-N 3.27Å; F670-S672 PolarHBondContact O-N 2.8Å; F670-V673 PolarHBondContact O-N 3.46Å; F670-D674 PolarHBondContact O-N 2.88Å; F670-L875 HydrophobicContact CE2-CD2 3.93Å; F670-L875 HydrophobicContact CZ-CD2 3.87Å
671	E	37.2	Very low	39.8	Very low	139 Å²	139	88.7 Å²	88.7	65%	0.65	50%	0.498	S	S	*	.	H	α-helix	trans	-58.7	-37.9	175.9	-80.7	178.3	143	0	0	112.2	T667 V673 E675	T667-E671 PolarHBondContact O-N 3.46Å; E671-V673 PolarHBondContact O-N 2.8Å; E671-E675 PolarHBondContact O-N 2.96Å
672	S	39.2	Very low	39.5	Very low	76 Å²	76	96.3 Å²	96.3	53%	0.531	53%	0.53	S	S	.	.	H	α-helix	trans	-65.6	-14.7	176.4	-65.1	0	0	0	0	114.9	Q668 F670 V676	Q668-S672 VanDerWaalsContact O-CB 3.28Å; Q668-S672 WeakPolarHBondContact O-CB 3.4Å; Q668-S672 PolarHBondContact O-N 3.32Å; Q668-S672 PolarHBondContact O-OG 2.73Å; F670-S672 VanDerWaalsContact C-N 3.27Å; F670-S672 PolarHBondContact O-N 2.8Å; S672-V676 WeakPolarHBondContact O-CG2 3.49Å
673	V	39.9	Very low	39.1	Very low	73 Å²	73	94.1 Å²	94.1	44%	0.442	53%	0.532	S	S	.	.	H	α-helix	trans	-91.3	-58.3	175.9	175.2	0	0	0	0	109.5	V669 F670 E671 E675 V676 E677	V669-V673 WeakPolarHBondContact O-CG2 3.2Å; V669-V673 PolarHBondContact O-N 3.16Å; F670-V673 PolarHBondContact O-N 3.46Å; E671-V673 PolarHBondContact O-N 2.8Å; V673-E675 PolarHBondContact O-N 3.19Å; V673-V676 PolarHBondContact O-N 2.81Å; V673-E677 WeakPolarHBondContact O-CB 3.26Å
674	D	36.3	Very low	38.6	Very low	68 Å²	68	103.6 Å²	103.6	36%	0.364	56%	0.559	S	S	.	*	H	α-helix	trans	-57.2	-20.5	179.6	-75.8	-66.6	0	0	0	114	F670 E677 D804	F670-D674 PolarHBondContact O-N 2.88Å; D674-E677 WeakPolarHBondContact O-CB 3.42Å; D674-D804 PolarHBondContact OD1-N 2.9Å
675	E	39.4	Very low	38.1	Very low	149 Å²	149	108 Å²	108	70%	0.696	58%	0.576	S	S	*	*	H	α-helix	trans	-79.8	-25.9	173.1	-79.2	-160	150.9	0	0	115.5	E671 V673 E677 V679	E671-E675 PolarHBondContact O-N 2.96Å; V673-E675 PolarHBondContact O-N 3.19Å; E675-E677 PolarHBondContact O-N 2.94Å; E675-V679 WeakPolarHBondContact O-CG2 3.46Å
676	V	43.6	Very low	37.7	Very low	102 Å²	102	113.9 Å²	113.9	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-74.9	-16.5	177.2	175.4	0	0	0	0	111.7	S672 V673	S672-V676 WeakPolarHBondContact O-CG2 3.49Å; V673-V676 PolarHBondContact O-N 2.81Å
677	E	38.8	Very low	37.3	Very low	46 Å²	46	118.7 Å²	118.7	22%	0.215	62%	0.616	C	S	.	*	H	α-helix	trans	-101.8	-43.9	-148.7	-158.6	93.3	160.5	0	0	108.6	V673 D674 E675 V679 D804 D805 V806	V673-E677 WeakPolarHBondContact O-CB 3.26Å; D674-E677 WeakPolarHBondContact O-CB 3.42Å; E675-E677 PolarHBondContact O-N 2.94Å; E677-V679 VanDerWaalsContact C-N 3.31Å; E677-V679 PolarHBondContact O-N 2.7Å; E677-D804 WeakPolarHBondContact CG-O 3.46Å; E677-D805 VanDerWaalsContact CG-CA 3.47Å; E677-D805 VanDerWaalsContact OE1-C 3.23Å; E677-D805 WeakPolarHBondContact OE1-CA 3.23Å; E677-D805 PolarHBondContact OE1-N 3.4Å; E677-V806 PolarHBondContact OE1-N 3.32Å; E677-V806 PolarHBondContact OE2-N 3.04Å
678	Q	36.2	Very low	36.7	Very low	119 Å²	119	123.1 Å²	123.1	56%	0.556	63%	0.629	S	S	*	*	S	Bend	trans	-75.4	-14.5	169.4	-60.1	-176.5	13.3	0	0	113.8	A681 K803	Q678-A681 PolarHBondContact O-N 3.44Å; Q678-K803 PolarHBondContact NE2-O 2.88Å
679	V	42.4	Very low	36	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.685	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-26	-171.2	165.9	0	0	0	0	113.9	E675 E677 A681	E675-V679 WeakPolarHBondContact O-CG2 3.46Å; E677-V679 VanDerWaalsContact C-N 3.31Å; E677-V679 PolarHBondContact O-N 2.7Å; V679-A681 VanDerWaalsContact C-N 3.29Å; V679-A681 PolarHBondContact O-N 2.85Å
680	E	38.8	Very low	35.9	Very low	179 Å²	179	128.2 Å²	128.2	84%	0.836	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-12.1	175.6	-64.1	-139.6	131.8	0	0	113.6
681	A	39	Very low	35.2	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-39.5	-173.6	0	0	0	0	0	114.9	Q678 V679 G683	Q678-A681 PolarHBondContact O-N 3.44Å; V679-A681 VanDerWaalsContact C-N 3.29Å; V679-A681 PolarHBondContact O-N 2.85Å; A681-G683 PolarHBondContact O-N 3.45Å
682	E	36.9	Very low	34.8	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	69%	0.689	S	S	*	*			trans	-94.6	61.2	-173.8	-67.7	-138.3	131.1	0	0	113.6
683	G	31.4	Very low	35.4	Very low	60 Å²	60	135.6 Å²	135.6	62%	0.619	69%	0.694	S	S	*	*			trans	-101.1	0.6	-166.8	0	0	0	0	0	119.5	A681	A681-G683 PolarHBondContact O-N 3.45Å
684	R	30.6	Very low	34.8	Very low	255 Å²	255	139.7 Å²	139.7	96%	0.962	71%	0.713	S	S	*	*			trans	-170	125.6	175.5	-109.4	153.3	-158	-150.6	5.2	115.3
685	L	31.3	Very low	34.4	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	73%	0.73	S	S	*	*			trans	-150.7	112.2	173.4	-131.8	178.4	0	0	0	112.1
686	E	31.2	Very low	33.8	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	74%	0.736	S	S	*	*			trans	-179.5	139	163.4	-99.1	-171.6	174.5	0	0	106.8
687	E	28.9	Very low	33.1	Very low	131 Å²	131	142.3 Å²	142.3	61%	0.612	74%	0.744	S	S	*	*			cis	-144.8	152.1	-6.7	-83.6	-144.3	112.3	0	0	112.2
688	K	27.8	Very low	32.6	Very low	171 Å²	171	145.4 Å²	145.4	74%	0.743	77%	0.766	S	S	*	*			trans	43.2	110.7	143.4	-65.5	164.3	-176.3	151.3	0	122.4
689	Q	22.6	Very low	32.1	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	78%	0.779	S	S	*	*			trans	-16.6	171.1	140.3	-78.5	-174	8	0	0	120.9
690	P	42.1	Very low	31.2	Very low	102 Å²	102	144.8 Å²	144.8	66%	0.662	78%	0.777	S	S	*	*			cis	-143.3	165.1	-25	36.6	-19	0	0	0	116.4
691	K	24.8	Very low	30.7	Very low	208 Å²	208	142.6 Å²	142.6	90%	0.904	78%	0.777	S	S	*	*			trans	-176.8	175.7	135.1	-103.6	157	-173	171.1	0	115
692	I	28.7	Very low	29.9	Very low	159 Å²	159	144.3 Å²	144.3	82%	0.815	78%	0.782	S	S	*	*			trans	-128.8	177.7	-164.6	-14.7	171.8	0	0	0	109.4
693	P	51.9	Low	29.4	Very low	98 Å²	98	140.4 Å²	140.4	64%	0.636	78%	0.776	S	S	*	*			cis	-119	172	-46.8	34.7	-20.7	0	0	0	113.4
694	N	28.1	Very low	30	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	79%	0.785	S	S	*	*				151.5	149	125.4	-86.5	-18	0	0	0	115.6
695	G	28.1	Very low	29.7	Very low	70 Å²	70	138.4 Å²	138.4	72%	0.722	78%	0.777	S	S	*	*				105.9	88	120.7	0	0	0	0	0	120.8
696	N	27.5	Very low	29.6	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	77%	0.772	S	S	*	*			trans	33.1	116.9	132.1	-77	12	0	0	0	122.5
697	L	27	Very low	29.5	Very low	153 Å²	153	130.8 Å²	130.8	80%	0.801	77%	0.77	S	S	*	*				82.4	122.1	108.6	-150.5	89.8	0	0	0	121.9
698	V	28.5	Very low	29.5	Very low	111 Å²	111	133.3 Å²	133.3	67%	0.673	78%	0.782	S	S	*	*			trans	83.9	125.8	141.5	144.9	0	0	0	0	122.5
699	N	25.4	Very low	29.9	Very low	155 Å²	155	130.5 Å²	130.5	83%	0.829	78%	0.781	S	S	*	*			trans	36.8	149.3	148.1	-52.5	-5.9	0	0	0	123.7
700	G	24.5	Very low	30.1	Very low	63 Å²	63	126.4 Å²	126.4	65%	0.649	77%	0.773	S	S	*	*			trans	141.5	61.9	152.3	0	0	0	0	0	115.9
701	T	27.4	Very low	29.9	Very low	134 Å²	134	125.3 Å²	125.3	82%	0.822	77%	0.768	S	S	*	*				58.1	110.4	100.9	62.9	0	0	0	0	117.4
702	C	22.7	Very low	30	Very low	119 Å²	119	123 Å²	123	80%	0.804	76%	0.76	S	S	*	*			trans	158.4	120.5	145.7	-88.3	0	0	0	0	107.1
703	S	27	Very low	30.4	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	75%	0.753	S	S	*	*				73.7	139.9	52.5	-57.4	0	0	0	0	113.6
704	P	44.4	Very low	29.2	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	76%	0.757	S	S	*	*			cis	-139.8	-162.7	-18.2	38.5	-17.7	0	0	0	114
705	D	23	Very low	29.4	Very low	148 Å²	148	122 Å²	122	79%	0.791	75%	0.752	S	S	*	*			trans	100.9	144.3	145.7	-153.1	18.3	0	0	0	121.4
706	S	30.2	Very low	29.6	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	76%	0.757	S	S	*	*			trans	66	126.9	164	70.1	0	0	0	0	121.1
707	G	28.5	Very low	29.5	Very low	78 Å²	78	120.5 Å²	120.5	80%	0.804	75%	0.753	S	S	*	*			trans	141	73.3	158.7	0	0	0	0	0	119.9
708	H	29.3	Very low	29.5	Very low	185 Å²	185	120.7 Å²	120.7	86%	0.856	75%	0.754	S	S	*	*			trans	-120.5	156	158.3	-96.7	-42.9	0	0	0	108.2
709	P	35.2	Very low	29.5	Very low	111 Å²	111	120.5 Å²	120.5	72%	0.721	76%	0.758	S	S	*	*			cis	-115.3	177.7	45.2	6.1	20.2	0	0	0	113.8
710	S	28.3	Very low	30	Very low	102 Å²	102	122 Å²	122	71%	0.713	76%	0.76	S	S	*	*			cis	75	148.7	42.7	119.6	0	0	0	0	113.8
711	S	36.5	Very low	30.2	Very low	79 Å²	79	128 Å²	128	55%	0.552	77%	0.77	S	S	*	*			cis	-175.4	157	-1.7	38.2	0	0	0	0	111.1
712	H	28.2	Very low	30.2	Very low	158 Å²	158	126.9 Å²	126.9	73%	0.731	77%	0.768	S	S	*	*			trans	-178.4	131.1	137.6	-97.5	-72.1	0	0	0	108.1	F714	H712-F714 AromaticContact CE1-CE2 3.77Å; H712-F714 AromaticContact ND1-CE2 3.67Å
713	N	36.4	Very low	30.8	Very low	124 Å²	124	128.9 Å²	128.9	66%	0.663	77%	0.766	S	S	*	*			cis	76.5	134	30.4	-68.3	-8.4	0	0	0	114.5
714	F	26.1	Very low	31.6	Very low	165 Å²	165	129 Å²	129	72%	0.724	76%	0.764	S	S	*	*			cis	-139.2	162.1	46.1	-93.5	-87.8	0	0	0	119.7	H712	H712-F714 AromaticContact CE1-CE2 3.77Å; H712-F714 AromaticContact ND1-CE2 3.67Å
715	S	34	Very low	30.7	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	76%	0.759	S	S	*	*			trans	-142.3	174.3	162.5	-43.2	0	0	0	0	108.9
716	S	30.7	Very low	30.7	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	77%	0.765	S	S	*	*			trans	-172.6	144.4	160.1	-78.4	0	0	0	0	108.8
717	G	25.8	Very low	30.4	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	76%	0.762	S	S	*	*			cis	-177.6	-170.2	-2.1	0	0	0	0	0	107.4
718	L	27.8	Very low	30.4	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	77%	0.767	S	S	*	*			cis	-154.5	116.1	2.6	-79.7	177.4	0	0	0	106.6
719	S	27.3	Very low	30.4	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	77%	0.768	S	S	*	*				84.2	125.2	93.2	76.8	0	0	0	0	117
720	E	37.3	Very low	29.9	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.864	78%	0.776	S	S	*	*			trans	-106.6	169.3	178.2	-55.9	175.6	108.8	0	0	114.1
721	H	27.6	Very low	29.9	Very low	189 Å²	189	134.7 Å²	134.7	88%	0.875	78%	0.775	S	S	*	*			trans	-153.1	146.7	155.1	-67	-52	0	0	0	109.2
722	S	27	Very low	29.6	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	79%	0.787	S	S	*	*			cis	-172.3	142.8	-19.7	51.2	0	0	0	0	110.7
723	E	35.7	Very low	29.6	Very low	161 Å²	161	136.9 Å²	136.9	75%	0.752	79%	0.79	S	S	*	*			trans	-59.2	171.4	167.8	-89.1	-70.6	125.3	0	0	113.3	S725	E723-S725 PolarHBondContact OE2-N 3.09Å
724	P	43.4	Very low	29.1	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	79%	0.794	S	S	*	*			cis	-153.2	157.7	40.5	43.1	-20.5	0	0	0	123.1
725	S	26.1	Very low	29.1	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	79%	0.79	S	S	*	*			trans	48.7	134.4	133.3	-58.8	0	0	0	0	124.4	E723	E723-S725 PolarHBondContact OE2-N 3.09Å
726	L	22.8	Very low	28.8	Very low	178 Å²	178	138 Å²	138	93%	0.932	80%	0.799	S	S	*	*				-172.8	169.3	119.2	-102.6	174.3	0	0	0	112.6
727	S	24.9	Very low	28.6	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	80%	0.8	S	S	*	*			trans	-135	157.1	-168.8	56.9	0	0	0	0	115.1
728	T	27.8	Very low	28.5	Very low	149 Å²	149	146 Å²	146	91%	0.914	80%	0.798	S	S	*	*			trans	-169.7	164.3	145.2	19	0	0	0	0	112.8
729	E	29.7	Very low	28.2	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	80%	0.796	S	S	*	*			trans	-113.4	159.6	-179	-48.8	170.5	122.6	0	0	110.6
730	D	24.5	Very low	28.8	Very low	165 Å²	165	145.2 Å²	145.2	88%	0.882	80%	0.798	S	S	*	*			trans	-169.6	177.9	135.4	-133.9	-36.1	0	0	0	114.5
731	S	28.9	Very low	28.3	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	80%	0.795	S	S	*	*			trans	-121.4	144.2	-154.2	-57.9	0	0	0	0	118.7
732	V	29.4	Very low	28.2	Very low	131 Å²	131	139.3 Å²	139.3	79%	0.794	79%	0.788	S	S	*	*			trans	38.1	126.6	139.9	-173.7	0	0	0	0	121.8
733	L	29	Very low	28.1	Very low	152 Å²	152	141.2 Å²	141.2	80%	0.796	79%	0.789	S	S	*	*			trans	160.6	149.3	139.1	-89.3	172	0	0	0	109
734	D	25.8	Very low	27.5	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	79%	0.794	S	S	*	*			cis	-155.1	164.4	1.3	-158.4	-5.1	0	0	0	112.3
735	A	26.1	Very low	27.1	Very low	76 Å²	76	144.2 Å²	144.2	63%	0.628	79%	0.793	S	S	*	*			trans	36.2	121	155.5	0	0	0	0	0	124.1
736	Q	26.8	Very low	27.4	Very low	201 Å²	201	150.3 Å²	150.3	94%	0.939	80%	0.8	S	S	*	*				-167.3	169	103.4	-101.8	-175.5	19.8	0	0	114.5
737	R	26.2	Very low	27.6	Very low	227 Å²	227	149.1 Å²	149.1	86%	0.857	80%	0.795	S	S	*	*			trans	-96	144.1	-150.9	-80.9	177.4	171.4	161.6	-3.4	118.5
738	N	24.4	Very low	27.6	Very low	130 Å²	130	147.7 Å²	147.7	70%	0.695	80%	0.797	S	S	*	*			trans	62.1	108.7	132	-61.5	21.6	0	0	0	123
739	T	21.8	Very low	27.6	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	79%	0.789	S	S	*	*				39.7	158.9	110	52.4	0	0	0	0	122.2
740	P	39	Very low	27.5	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	79%	0.789	S	S	*	*			cis	-136	-172.2	14.1	40.9	-20.7	0	0	0	117.3
741	T	26.4	Very low	27.7	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	78%	0.782	S	S	*	*			trans	-77.5	174	179.5	-36.4	0	0	0	0	114.6
742	V	26.3	Very low	27.7	Very low	121 Å²	121	142.8 Å²	142.8	73%	0.733	78%	0.777	S	S	*	*			trans	127.7	131.1	141.5	179.8	0	0	0	0	118.2
743	L	24.2	Very low	27.7	Very low	151 Å²	151	145.9 Å²	145.9	79%	0.791	77%	0.774	S	S	*	*			trans	58.6	115.6	157.5	-75.2	165.8	0	0	0	125.4
744	R	24.2	Very low	27.5	Very low	226 Å²	226	146.6 Å²	146.6	85%	0.853	77%	0.773	S	S	*	*				62.1	-163.9	123.3	-138.9	-170.2	-178.3	178.2	1.6	118
745	P	33.7	Very low	27.6	Very low	110 Å²	110	144.2 Å²	144.2	71%	0.714	77%	0.768	S	S	*	*				-103.9	168.5	-117.3	39.2	-27.1	0	0	0	116
746	R	32.9	Very low	27.9	Very low	228 Å²	228	145.7 Å²	145.7	86%	0.86	77%	0.774	S	S	*	*			trans	-64.4	135	171.8	165.1	-176.9	178.1	167.4	3.9	112.8
747	D	28.1	Very low	28	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	77%	0.769	S	S	*	*				-166	165.7	119.7	-109.9	-20	0	0	0	114.3
748	G	24.8	Very low	28.1	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	76%	0.76	S	S	*	*			trans	-156	124.1	178.3	0	0	0	0	0	111.4
749	S	26.5	Very low	28.3	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	76%	0.762	S	S	*	*			trans	-85.2	160	-164.5	54	0	0	0	0	116.1
750	V	27.5	Very low	28.5	Very low	143 Å²	143	137.6 Å²	137.6	87%	0.867	76%	0.764	S	S	*	*			trans	-141.3	140.7	140.8	-166.7	0	0	0	0	109.3
751	D	29.2	Very low	28	Very low	140 Å²	140	136 Å²	136	75%	0.749	76%	0.756	S	S	*	*			trans	-70.1	-179.9	175.1	-55.4	-83.9	0	0	0	112.4
752	D	28.1	Very low	28	Very low	107 Å²	107	138.5 Å²	138.5	57%	0.572	76%	0.759	S	S	*	*			cis	-172.8	146.6	38.1	-159.3	-4.3	0	0	0	112.7
753	R	30.2	Very low	27.9	Very low	195 Å²	195	139.5 Å²	139.5	74%	0.736	76%	0.76	S	S	*	*			trans	62.7	157.4	161.1	-76.3	155.7	-137	-154.5	12.4	120.1
754	Q	25.2	Very low	27.9	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	76%	0.764	S	S	*	*			cis	-155.2	137	8.8	-136.1	162.6	-4.3	0	0	114.9
755	S	28.6	Very low	27.8	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	76%	0.759	S	S	*	*			trans	22.1	126.8	149.9	61.3	0	0	0	0	126.2
756	S	30.6	Very low	28.2	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	76%	0.759	S	S	*	*				66.3	157.5	123.4	-46	0	0	0	0	121.6
757	E	28.8	Very low	27.8	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	76%	0.755	S	S	*	*			cis	-162.9	157.6	7.2	-141.1	167.8	-160.9	0	0	113.4
758	A	29.1	Very low	27.6	Very low	82 Å²	82	133.4 Å²	133.4	68%	0.678	75%	0.749	S	S	*	*			trans	52.3	157.5	147.9	0	0	0	0	0	123.9
759	T	28.2	Very low	27.6	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	75%	0.75	S	S	*	*			cis	-170.6	159.5	-27.8	36.2	0	0	0	0	110.9
760	T	27.6	Very low	27.6	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	75%	0.752	S	S	*	*			trans	64.6	153.1	156.4	45.2	0	0	0	0	120.1
761	S	27.3	Very low	27.3	Very low	90 Å²	90	137.8 Å²	137.8	63%	0.629	75%	0.748	S	S	*	*			cis	-175.6	162.4	-14.5	51.5	0	0	0	0	112.1
762	Q	26.1	Very low	27.1	Very low	182 Å²	182	136.8 Å²	136.8	85%	0.85	75%	0.747	S	S	*	*			trans	68.6	162.1	165.1	-68.6	-172.8	-55	0	0	118.3
763	D	24	Very low	27.1	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	76%	0.759	S	S	*	*			cis	-168	173	-38.5	-155	-12.6	0	0	0	109
764	E	24.4	Very low	26.8	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.874	76%	0.758	S	S	*	*			trans	68.2	165	176.3	-70.9	-155.6	118.8	0	0	119.8
765	A	23.8	Very low	26.8	Very low	91 Å²	91	133.3 Å²	133.3	75%	0.752	75%	0.749	S	S	*	*			trans	-130.6	-157.5	-163.1	0	0	0	0	0	109.9
766	P	40.7	Very low	26.8	Very low	109 Å²	109	135.1 Å²	135.1	71%	0.708	75%	0.751	S	S	*	*			cis	-143.1	171.1	8.6	46.7	-28.8	0	0	0	118.2
767	R	25.2	Very low	26.5	Very low	206 Å²	206	138.1 Å²	138.1	78%	0.777	75%	0.753	S	S	*	*			trans	66	155.6	158.6	-68.4	-178	147.9	144.5	2.1	117.5
768	E	23.8	Very low	26.2	Very low	147 Å²	147	133.9 Å²	133.9	69%	0.687	74%	0.743	S	S	*	*			cis	-167.9	156.9	-14.5	-108.3	153.5	-170.4	0	0	104.8
769	E	25.4	Very low	25.8	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	75%	0.746	S	S	*	*			cis	-140	139.1	10.8	-102.9	-173	101.3	0	0	112.2
770	L	25	Very low	25.6	Very low	156 Å²	156	138.8 Å²	138.8	82%	0.817	75%	0.753	S	S	*	*				38.8	120.5	129.8	-63.9	170.5	0	0	0	123.7
771	A	21.6	Very low	25.5	Very low	94 Å²	94	140.9 Å²	140.9	78%	0.777	76%	0.758	S	S	*	*			trans	-149	110.5	145.7	0	0	0	0	0	113
772	V	25.6	Very low	25.3	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	77%	0.768	S	S	*	*			trans	62.9	129.8	143.2	-174.3	0	0	0	0	121.5
773	Q	27.4	Very low	25.2	Very low	178 Å²	178	140.3 Å²	140.3	83%	0.832	77%	0.768	S	S	*	*			trans	70.6	151.6	161.6	-79.1	159.3	-21.4	0	0	117.5
774	D	24.2	Very low	25.1	Very low	132 Å²	132	143 Å²	143	71%	0.706	78%	0.776	S	S	*	*			cis	-150.6	-172.1	18.6	-169	43.2	0	0	0	114
775	S	26.3	Very low	24.9	Very low	85 Å²	85	138.7 Å²	138.7	59%	0.594	77%	0.767	S	S	*	*			trans	84.7	148.2	146	-74.5	0	0	0	0	118.7
776	L	27.2	Very low	24.9	Very low	130 Å²	130	141.7 Å²	141.7	68%	0.681	77%	0.767	S	S	*	*			cis	-162.7	157.9	3.3	-109.1	160.7	0	0	0	112.2
777	E	24.2	Very low	24	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	77%	0.766	S	S	*	*			trans	52.3	156.3	144.9	-80.8	169.8	-175.3	0	0	123.4
778	S	22.5	Very low	23.9	Very low	90 Å²	90	140.9 Å²	140.9	63%	0.629	77%	0.767	S	S	*	*			cis	-165.2	175.1	-20.2	-158.2	0	0	0	0	111.5
779	D	22.5	Very low	23.7	Very low	140 Å²	140	141 Å²	141	75%	0.749	77%	0.765	S	S	*	*			trans	67.3	147.3	159.3	-52.5	-13.5	0	0	0	117.4
780	L	23.3	Very low	23.7	Very low	166 Å²	166	140.8 Å²	140.8	87%	0.869	77%	0.766	S	S	*	*			cis	-145.1	169.5	30	-79.9	165.8	0	0	0	113.2
781	L	24.3	Very low	23.6	Very low	176 Å²	176	136.5 Å²	136.5	92%	0.921	75%	0.749	S	S	*	*			trans	-105.7	146	166.3	-70.6	169.3	0	0	0	111.6
782	A	24.5	Very low	23.7	Very low	103 Å²	103	139.2 Å²	139.2	85%	0.851	75%	0.749	S	S	*	*			trans	-150.8	141.7	165.1	0	0	0	0	0	112
783	N	22.6	Very low	23.5	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	75%	0.754	S	S	*	*			trans	-98.2	149.3	165.1	-95.9	-16.6	0	0	0	108.9
784	E	22.7	Very low	23.3	Very low	197 Å²	197	134.5 Å²	134.5	92%	0.921	75%	0.746	S	S	*	*			trans	160	167.1	146.7	-92.3	162.9	-160.1	0	0	109.3
785	S	21.1	Very low	23.2	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	75%	0.752	S	S	*	*			cis	172	112.5	-42	171.8	0	0	0	0	107.9
786	M	21.9	Very low	23	Very low	154 Å²	154	136.2 Å²	136.2	76%	0.759	76%	0.757	S	S	*	*			trans	48.8	140.1	156.7	-87.6	168.7	65	0	0	123
787	D	21.9	Very low	22.7	Very low	126 Å²	126	136.5 Å²	136.5	67%	0.674	76%	0.759	S	S	*	*			trans	86.5	140	141	-66.1	-14	0	0	0	124.2
788	E	23	Very low	22.6	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	76%	0.762	S	S	*	*			trans	67.5	145.2	148.1	-78	-156.8	139.1	0	0	121.5
789	F	21.3	Very low	22.5	Very low	149 Å²	149	136.7 Å²	136.7	65%	0.654	77%	0.768	S	S	*	*			cis	-163.3	-175.1	-14.6	-167.5	-113.9	0	0	0	110.3	S791	F789-S791 VanDerWaalsContact CE1-OG 3.29Å; F789-S791 WeakPolarHBondContact CE1-OG 3.37Å
790	M	24.1	Very low	22.4	Very low	162 Å²	162	138.1 Å²	138.1	80%	0.798	77%	0.774	S	S	*	*			trans	89.8	135.2	167.1	-56.7	-76	-75.7	0	0	118.1
791	S	23.8	Very low	22.8	Very low	65 Å²	65	134.8 Å²	134.8	46%	0.455	76%	0.762	S	S	.	*			cis	175.8	155.2	-34.1	-104.6	0	0	0	0	110.5	F789	F789-S791 VanDerWaalsContact CE1-OG 3.29Å; F789-S791 WeakPolarHBondContact CE1-OG 3.37Å
792	I	22.6	Very low	22.8	Very low	152 Å²	152	133.4 Å²	133.4	78%	0.779	75%	0.751	S	S	*	*			trans	69.8	133.9	157.5	-69.8	161.3	0	0	0	116
793	T	22.4	Very low	22.9	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	73%	0.732	S	S	*	*			cis	-163.7	163.4	-13.7	29.3	0	0	0	0	107.2
794	G	23.1	Very low	23	Very low	65 Å²	65	130.3 Å²	130.3	67%	0.67	72%	0.716	S	S	*	*			cis	149.5	157	-3.9	0	0	0	0	0	113.1
795	S	22.8	Very low	23.1	Very low	118 Å²	118	126.2 Å²	126.2	83%	0.825	70%	0.7	S	S	*	*			trans	65.3	150.7	167.8	-105.1	0	0	0	0	118.3
796	L	21.2	Very low	23.3	Very low	135 Å²	135	125.8 Å²	125.8	71%	0.707	69%	0.693	S	S	*	*			cis	-153.6	142.2	13	-174	69.7	0	0	0	112
797	D	21.9	Very low	23.5	Very low	135 Å²	135	123.5 Å²	123.5	72%	0.722	69%	0.687	S	S	*	*			trans	7.9	160.2	150	-45	-20.1	0	0	0	122.2
798	M	21.1	Very low	23.6	Very low	176 Å²	176	125.2 Å²	125.2	87%	0.867	69%	0.693	S	S	*	*			cis	-162.7	167.1	8.5	-142.5	-173.3	-172.3	0	0	114.4
799	A	21	Very low	23.6	Very low	90 Å²	90	124.4 Å²	124.4	74%	0.744	69%	0.689	S	S	*	*			trans	88.5	135.9	139.7	0	0	0	0	0	123
800	L	19	Very low	23.7	Very low	169 Å²	169	120 Å²	120	89%	0.885	69%	0.686	S	S	*	*			trans	-96.1	-160.2	171.2	-66.9	158.8	0	0	0	109.1
801	P	33.4	Very low	23.6	Very low	96 Å²	96	121.6 Å²	121.6	62%	0.623	68%	0.683	S	S	*	*			cis	-142.2	169.6	-4.3	20	8.1	0	0	0	119
802	E	23.6	Very low	23.4	Very low	148 Å²	148	128.5 Å²	128.5	69%	0.692	70%	0.699	S	S	*	*			trans	62.9	155.8	137.3	-66	178.2	126.2	0	0	121.4
803	K	25.8	Very low	23.4	Very low	104 Å²	104	126.1 Å²	126.1	45%	0.452	70%	0.696	S	S	.	*			cis	-174.6	141.5	-3.2	-110.2	-176.2	171.4	154.4	0	115.7	Q678	Q678-K803 PolarHBondContact NE2-O 2.88Å
804	D	25.1	Very low	23.3	Very low	92 Å²	92	124.4 Å²	124.4	49%	0.492	69%	0.689	S	S	.	*				82.7	127.5	94.7	-74.9	0.8	0	0	0	122.4	D674 E677	D674-D804 PolarHBondContact OD1-N 2.9Å; E677-D804 WeakPolarHBondContact CG-O 3.46Å
805	D	24.8	Very low	23.4	Very low	111 Å²	111	128.9 Å²	128.9	59%	0.594	69%	0.693	S	S	*	*			trans	80.9	105.3	137.5	-87.1	-16.9	0	0	0	128.7	E677	E677-D805 VanDerWaalsContact CG-CA 3.47Å; E677-D805 VanDerWaalsContact OE1-C 3.23Å; E677-D805 WeakPolarHBondContact OE1-CA 3.23Å; E677-D805 PolarHBondContact OE1-N 3.4Å
806	V	26.1	Very low	23.5	Very low	89 Å²	89	128.8 Å²	128.8	54%	0.539	69%	0.688	S	S	.	*				82.6	144.4	124.5	159.9	0	0	0	0	122.7	E677	E677-V806 PolarHBondContact OE1-N 3.32Å; E677-V806 PolarHBondContact OE2-N 3.04Å
807	V	25.3	Very low	23.6	Very low	105 Å²	105	130.8 Å²	130.8	64%	0.636	69%	0.693	S	S	*	*			cis	-176.9	159.8	-28.7	85.1	0	0	0	0	114.4
808	M	24.7	Very low	23.9	Very low	163 Å²	163	131.9 Å²	131.9	80%	0.803	69%	0.692	S	S	*	*			trans	70	168.1	161.7	-73.3	174.9	-151	0	0	119.6
809	E	23.2	Very low	24.2	Very low	154 Å²	154	131.3 Å²	131.3	72%	0.72	69%	0.686	S	S	*	*			cis	-154.6	-172.8	-14.5	-124.3	-156.3	161.2	0	0	108.6	W811	E809-W811 PolarHBondContact OE1-NE1 3.44Å; E809-W811 VanDerWaalsContact OE2-CD1 3.25Å; E809-W811 PolarHBondContact OE2-NE1 3.06Å
810	G	23.2	Very low	24.8	Very low	56 Å²	56	130.5 Å²	130.5	58%	0.577	69%	0.687	S	S	*	*			cis	154.1	160.5	-2.4	0	0	0	0	0	113.9
811	W	20.8	Very low	25.1	Very low	196 Å²	196	130.3 Å²	130.3	74%	0.742	68%	0.681	S	S	*	*			trans	63.9	155.7	164.2	-52.1	77.3	0	0	0	119.5	E809	E809-W811 PolarHBondContact OE1-NE1 3.44Å; E809-W811 VanDerWaalsContact OE2-CD1 3.25Å; E809-W811 PolarHBondContact OE2-NE1 3.06Å
812	R	20	Very low	25.2	Very low	211 Å²	211	130 Å²	130	80%	0.796	69%	0.687	S	S	*	*			cis	-164.7	145.8	-28.2	-177.6	-173.9	-121.6	-144.6	0.3	111.4
813	S	22	Very low	25.6	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	69%	0.685	S	S	*	*			trans	-5.5	142.9	169.2	-46	0	0	0	0	126
814	S	22	Very low	25.9	Very low	97 Å²	97	128 Å²	128	68%	0.678	69%	0.693	S	S	*	*			trans	57	148.6	138.5	-60.5	0	0	0	0	121.6
815	E	23.7	Very low	26.2	Very low	159 Å²	159	131.5 Å²	131.5	74%	0.743	71%	0.707	S	S	*	*			cis	-174.6	-175.2	-11.2	-107.2	163.4	78.7	0	0	107.2
816	T	25.7	Very low	26.6	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	71%	0.713	S	S	*	*			cis	-156.6	-170.3	4.4	-6.9	0	0	0	0	110.4
817	E	22.3	Very low	27	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	72%	0.721	S	S	*	*			trans	70.9	164.6	162.5	-62.4	-152.2	122.3	0	0	120.2
818	K	29.5	Very low	27	Very low	159 Å²	159	137.9 Å²	137.9	69%	0.691	73%	0.733	S	S	*	*				-178.6	164.4	-54.1	-106.8	-172.7	-177.9	-142.4	0	108.5
819	H	28.2	Very low	27	Very low	163 Å²	163	135.4 Å²	135.4	76%	0.755	73%	0.732	S	S	*	*			cis	-163	-178.6	-9.3	-130.6	-0.8	0	0	0	110.4
820	G	31.8	Very low	27.3	Very low	73 Å²	73	136.4 Å²	136.4	75%	0.753	74%	0.737	S	S	*	*			trans	93	169.3	163.4	0	0	0	0	0	116.7
821	Q	27.1	Very low	27.5	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	75%	0.749	S	S	*	*			cis	-162.1	141	-13.6	167.5	176.6	-6.8	0	0	110.2	D823	Q821-D823 PolarHBondContact NE2-OD1 2.87Å
822	A	34.1	Very low	27.8	Very low	90 Å²	90	138.3 Å²	138.3	74%	0.744	75%	0.748	S	S	*	*			trans	164.7	144.5	134	0	0	0	0	0	111.6
823	D	31.5	Very low	28	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	75%	0.75	S	S	*	*			cis	-179.8	156.5	-21.4	-90	-27.4	0	0	0	104.5	Q821	Q821-D823 PolarHBondContact NE2-OD1 2.87Å
824	S	33	Very low	28.1	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	76%	0.755	S	S	*	*			cis	-172.8	160.1	-12	61.8	0	0	0	0	106
825	E	31.4	Very low	28.4	Very low	165 Å²	165	143.2 Å²	143.2	77%	0.771	76%	0.76	S	S	*	*			cis	-127	-175.1	-8.6	-61.6	95.1	95.5	0	0	107.7
826	D	33.2	Very low	28.6	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	76%	0.759	S	S	*	*	S	Bend	cis	-149.6	137.2	5.2	-155.7	3.3	0	0	0	112.6
827	N	34.9	Very low	28.5	Very low	132 Å²	132	142.6 Å²	142.6	71%	0.706	77%	0.765	S	S	*	*			trans	55.8	63.1	165.1	-76.9	-68.9	0	0	0	122.6
828	L	25.3	Very low	28.8	Very low	169 Å²	169	144.1 Å²	144.1	89%	0.885	77%	0.769	S	S	*	*			trans	68	163.4	133.5	-61.3	171.9	0	0	0	121.3
829	S	24.9	Very low	28.9	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	77%	0.774	S	S	*	*			trans	-133.9	169.9	-145.6	64.3	0	0	0	0	117.7
830	E	29.5	Very low	29	Very low	175 Å²	175	139.6 Å²	139.6	82%	0.818	78%	0.78	S	S	*	*			trans	-70.4	178.2	168.3	-56.5	146.5	131.4	0	0	111.4
831	E	26	Very low	28.7	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	79%	0.789	S	S	*	*			cis	-141.8	167.5	14.5	-82.4	-171.7	134.6	0	0	112.6
832	P	26.8	Very low	28.6	Very low	112 Å²	112	141.2 Å²	141.2	73%	0.727	79%	0.788	S	S	*	*			trans	-93.9	175.9	160.6	39.6	-34.4	0	0	0	114
833	E	26.2	Very low	28.3	Very low	177 Å²	177	142.5 Å²	142.5	83%	0.827	79%	0.792	S	S	*	*			trans	-12.3	142.7	158.8	-55.2	168.4	172.1	0	0	119.9
834	M	24.2	Very low	27.9	Very low	168 Å²	168	144.8 Å²	144.8	83%	0.828	80%	0.803	S	S	*	*				-165.6	161.1	112.6	-162	140.3	-75.1	0	0	113.6
835	E	27.1	Very low	27.5	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	81%	0.809	S	S	*	*			trans	-67.1	167.1	174.1	-46.2	169.3	113	0	0	114.2
836	S	27.3	Very low	27.3	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	81%	0.81	S	S	*	*				155.2	170.5	104.1	58.8	0	0	0	0	115.8
837	L	24.7	Very low	26.9	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	82%	0.816	S	S	*	*			trans	82.2	102.8	163.3	-52.5	-178.1	0	0	0	120.1
838	F	29.1	Very low	26.6	Very low	208 Å²	208	143.3 Å²	143.3	91%	0.912	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.2	148.6	143.6	-74.8	-92.7	0	0	0	110.7
839	P	31.1	Very low	26.7	Very low	123 Å²	123	141.4 Å²	141.4	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-100.2	139.3	158.9	28.1	-16.2	0	0	0	112.3
840	A	29.4	Very low	26.9	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.9	165.9	172.1	0	0	0	0	0	112
841	L	26.4	Very low	26.8	Very low	179 Å²	179	140.5 Å²	140.5	94%	0.937	83%	0.827	S	S	*	*			trans	-136.5	134.4	177.2	-111.9	171.4	0	0	0	112.2
842	A	24.4	Very low	26.9	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	83%	0.827	S	S	*	*			trans	-150.2	106.8	179.3	0	0	0	0	0	113.7
843	S	27.3	Very low	26.9	Very low	118 Å²	118	141 Å²	141	83%	0.825	83%	0.828	S	S	*	*			trans	66.3	168.3	153.1	-149.3	0	0	0	0	120.3
844	L	23.7	Very low	27	Very low	169 Å²	169	138 Å²	138	89%	0.885	83%	0.826	S	S	*	*			trans	72.5	142.2	-177	-59.5	167.7	0	0	0	115.3
845	A	24.9	Very low	28.2	Very low	90 Å²	90	135.5 Å²	135.5	74%	0.744	82%	0.822	S	S	*	*			cis	-144.2	165.1	2.2	0	0	0	0	0	112.5
846	V	26.1	Very low	28.2	Very low	132 Å²	132	134.2 Å²	134.2	80%	0.8	83%	0.826	S	S	*	*			trans	-94.8	130.7	169	173.5	0	0	0	0	110.2	T848	V846-T848 HydrophobicContact CG1-CG2 4.48Å
847	T	26.1	Very low	28.5	Very low	138 Å²	138	134.4 Å²	134.4	85%	0.847	83%	0.827	S	S	*	*			trans	-137.8	149.6	161	51.7	0	0	0	0	110.3
848	T	29	Very low	29.3	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	83%	0.825	S	S	*	*			trans	-123.4	129.3	-170.7	53.6	0	0	0	0	112.4	V846	V846-T848 HydrophobicContact CG1-CG2 4.48Å
849	S	26.9	Very low	29.8	Very low	129 Å²	129	126.5 Å²	126.5	90%	0.902	81%	0.811	S	S	*	*			trans	-150.9	155.5	154	57.6	0	0	0	0	108.8
850	A	29.5	Very low	30.3	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	81%	0.809	S	S	*	*			trans	-129.3	155.7	-161.1	0	0	0	0	0	113.6
851	N	27.1	Very low	31.1	Very low	171 Å²	171	123.3 Å²	123.3	91%	0.914	79%	0.793	S	S	*	*			trans	-154.6	152.6	145.3	-113.2	-11.1	0	0	0	109.8
852	E	27.7	Very low	32.7	Very low	180 Å²	180	121.4 Å²	121.4	84%	0.841	79%	0.789	S	S	*	*			trans	-82.2	167.4	-178.9	-56.3	177.6	147.1	0	0	109.9
853	V	27.6	Very low	35.2	Very low	121 Å²	121	119.9 Å²	119.9	73%	0.733	76%	0.764	S	S	*	*				-163.1	132.2	51	168.4	0	0	0	0	112.2
854	S	28.3	Very low	38	Very low	114 Å²	114	117 Å²	117	80%	0.797	74%	0.743	S	S	*	*			trans	62.1	160.1	155.9	-65.1	0	0	0	0	121.5
855	P	48.4	Very low	40.8	Very low	115 Å²	115	112.8 Å²	112.8	75%	0.747	73%	0.727	S	S	*	*			trans	-128.1	137.2	-152.2	38.7	-22	0	0	0	117.7
856	V	26.9	Very low	43.7	Very low	141 Å²	141	114.5 Å²	114.5	86%	0.855	72%	0.719	S	S	*	*			trans	-146.6	130	133.2	165.9	0	0	0	0	106.4	S858	V856-S858 PolarHBondContact O-N 3.05Å
857	S	33.5	Very low	46.6	Very low	107 Å²	107	111 Å²	111	75%	0.748	70%	0.695	S	S	*	*			trans	-85.3	94.9	-174.7	-60.2	0	0	0	0	112.8	S859	S857-S859 VanDerWaalsContact C-N 3.32Å; S857-S859 PolarHBondContact O-N 3.04Å; S857-S859 VanDerWaalsContact O-N 3.16Å
858	S	42.8	Very low	49.5	Very low	114 Å²	114	106 Å²	106	80%	0.797	66%	0.664	S	S	*	*			trans	-79.3	81.9	158.9	59.7	0	0	0	0	109.6	V856 G860	V856-S858 PolarHBondContact O-N 3.05Å; S858-G860 PolarHBondContact O-N 2.93Å
859	S	38.2	Very low	52.3	Low	89 Å²	89	104.6 Å²	104.6	62%	0.622	65%	0.651	S	S	*	*			trans	-72.1	74	174.5	-62.2	0	0	0	0	110.6	S857 V861	S857-S859 VanDerWaalsContact C-N 3.32Å; S857-S859 PolarHBondContact O-N 3.04Å; S857-S859 VanDerWaalsContact O-N 3.16Å; S859-V861 VanDerWaalsContact C-N 3.31Å; S859-V861 PolarHBondContact O-N 2.79Å
860	G	42.2	Very low	55.2	Low	72 Å²	72	102.4 Å²	102.4	74%	0.742	63%	0.629	S	S	*	*			trans	-67.7	82.9	179.4	0	0	0	0	0	112	S858 T862	S858-G860 PolarHBondContact O-N 2.93Å; G860-T862 PolarHBondContact O-N 3.04Å
861	V	45.4	Very low	58.2	Low	89 Å²	89	98.7 Å²	98.7	54%	0.539	59%	0.594	S	S	.	*			trans	-78.8	102.2	168	180	0	0	0	0	107.6	S859 Y863	S859-V861 VanDerWaalsContact C-N 3.31Å; S859-V861 PolarHBondContact O-N 2.79Å; V861-Y863 HydrophobicContact CG1-CD1 4.4Å; V861-Y863 HydrophobicContact CG1-CE1 4.07Å; V861-Y863 PolarHBondContact O-N 3.39Å
862	T	59.9	Low	61.2	Low	138 Å²	138	93.5 Å²	93.5	85%	0.847	57%	0.569	S	S	*	*			trans	-69.9	109.2	170.5	-45.4	0	0	0	0	108.7	G860	G860-T862 PolarHBondContact O-N 3.04Å
863	Y	77	Confident	64.2	Low	60 Å²	60	89.2 Å²	89.2	24%	0.235	55%	0.554	C	S	.	*			trans	-68	153.9	170.2	-57.7	-70.7	0	0	0	110.2	H660 V861 L867 L868 W909	H660-Y863 PolarHBondContact ND1-OH 2.98Å; V861-Y863 HydrophobicContact CG1-CD1 4.4Å; V861-Y863 HydrophobicContact CG1-CE1 4.07Å; V861-Y863 PolarHBondContact O-N 3.39Å; Y863-L867 HydrophobicContact CD1-CD2 4.46Å; Y863-L868 HydrophobicContact CD2-CD2 4.37Å; Y863-L868 HydrophobicContact CG-CD2 4.48Å; Y863-W909 HydrophobicContact CD1-CH2 4.34Å; Y863-W909 HydrophobicContact CD1-CZ2 4.16Å; Y863-W909 HydrophobicContact CD2-CH2 4.29Å; Y863-W909 HydrophobicContact CE1-CH2 4.33Å; Y863-W909 AromaticContact CE1-CZ2 3.74Å; Y863-W909 HydrophobicContact CE1-CZ2 3.74Å; Y863-W909 HydrophobicContact CE2-CH2 4.28Å; Y863-W909 HydrophobicContact CE2-CZ2 4.12Å; Y863-W909 HydrophobicContact CG-CH2 4.33Å; Y863-W909 AromaticContact CZ-CZ2 3.73Å
864	S	86.2	Confident	67.3	Low	57 Å²	57	83.7 Å²	83.7	40%	0.399	52%	0.521	S	S	.	.			trans	-75.4	148.8	175.2	87	0	0	0	0	110.3	E866 L867 L868	S864-E866 WeakPolarHBondContact CB-OE2 3.39Å; S864-E866 PolarHBondContact O-N 3.04Å; S864-E866 PolarHBondContact OG-OE2 2.98Å; S864-L867 PolarHBondContact O-N 3.15Å; S864-L868 PolarHBondContact O-N 3.2Å
865	P	83.6	Confident	70.4	Confident	82 Å²	82	78.9 Å²	78.9	53%	0.532	49%	0.486	S	S	.	.	H	α-helix	trans	-55.5	-40.7	-179.1	-25.8	35.3	0	0	0	112.5	L867 L868 D869	P865-L867 VanDerWaalsContact C-N 3.25Å; P865-L867 PolarHBondContact O-N 2.64Å; P865-L868 PolarHBondContact O-N 3.37Å; P865-D869 PolarHBondContact O-N 3.41Å
866	E	85.4	Confident	72.4	Confident	126 Å²	126	78.3 Å²	78.3	59%	0.589	47%	0.473	S	S	*	.	H	α-helix	trans	-64.5	-30.2	-176.2	-46	78.5	-174	0	0	112.3	S864 L870	S864-E866 WeakPolarHBondContact CB-OE2 3.39Å; S864-E866 PolarHBondContact O-N 3.04Å; S864-E866 PolarHBondContact OG-OE2 2.98Å; E866-L870 VanDerWaalsContact O-CB 3.24Å; E866-L870 WeakPolarHBondContact O-CB 3.5Å; E866-L870 PolarHBondContact O-N 3.3Å; E866-L870 VanDerWaalsContact O-N 3.1Å
867	L	86.1	Confident	75.7	Confident	57 Å²	57	76.4 Å²	76.4	30%	0.298	45%	0.451	S	S	.	.	H	α-helix	trans	-72.8	-40	174.5	-173.4	154.8	0	0	0	111.1	Y863 S864 P865 Y871 W909	Y863-L867 HydrophobicContact CD1-CD2 4.46Å; S864-L867 PolarHBondContact O-N 3.15Å; P865-L867 VanDerWaalsContact C-N 3.25Å; P865-L867 PolarHBondContact O-N 2.64Å; L867-Y871 WeakPolarHBondContact O-CB 3.41Å; L867-Y871 PolarHBondContact O-N 2.97Å; L867-W909 HydrophobicContact CD2-CH2 3.67Å; L867-W909 HydrophobicContact CD2-CZ2 4.34Å; L867-W909 HydrophobicContact CD2-CZ3 3.92Å
868	L	88	Confident	78.7	Confident	34 Å²	34	71.3 Å²	71.3	18%	0.178	42%	0.415	C	S	.	.	H	α-helix	trans	-69.6	-41.1	177.6	-63.4	175.1	0	0	0	111.4	Y863 S864 P865 Y871 T872 W909	Y863-L868 HydrophobicContact CD2-CD2 4.37Å; Y863-L868 HydrophobicContact CG-CD2 4.48Å; S864-L868 PolarHBondContact O-N 3.2Å; P865-L868 PolarHBondContact O-N 3.37Å; L868-Y871 PolarHBondContact O-N 3.03Å; L868-T872 WeakPolarHBondContact O-CB 3.44Å; L868-T872 PolarHBondContact O-N 3.22Å; L868-T872 PolarHBondContact O-OG1 2.78Å; L868-W909 HydrophobicContact CD2-CH2 4.4Å
869	D	87.2	Confident	81.1	Confident	104 Å²	104	68.1 Å²	68.1	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-59.9	-50	173.5	-68.2	-25.2	0	0	0	110.8	P865 Y871 T872 V873	P865-D869 PolarHBondContact O-N 3.41Å; D869-Y871 VanDerWaalsContact C-N 3.31Å; D869-Y871 PolarHBondContact O-N 2.74Å; D869-T872 PolarHBondContact O-N 3.47Å; D869-V873 WeakPolarHBondContact O-CG2 3.42Å; D869-V873 PolarHBondContact O-N 2.89Å
870	L	88.4	Confident	83.8	Confident	82 Å²	82	69.2 Å²	69.2	43%	0.429	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-38	178.5	-179.3	58.2	0	0	0	112.1	E866 N874 I912	E866-L870 VanDerWaalsContact O-CB 3.24Å; E866-L870 WeakPolarHBondContact O-CB 3.5Å; E866-L870 PolarHBondContact O-N 3.3Å; E866-L870 VanDerWaalsContact O-N 3.1Å; L870-N874 PolarHBondContact O-N 3.27Å; L870-N874 PolarHBondContact O-ND2 3.42Å; L870-I912 HydrophobicContact CD2-CG1 3.84Å; L870-I912 HydrophobicContact CG-CD1 4.09Å; L870-I912 HydrophobicContact CG-CG1 3.94Å
871	Y	91.6	Very high	86.3	Confident	20 Å²	20	66.4 Å²	66.4	8%	0.078	35%	0.349	C	S	.	.	H	α-helix	trans	-67.5	-43.3	174	-179	-109.8	0	0	0	111.9	L867 L868 D869 V873 N874 L875 C905 I908 W909 I912	L867-Y871 WeakPolarHBondContact O-CB 3.41Å; L867-Y871 PolarHBondContact O-N 2.97Å; L868-Y871 PolarHBondContact O-N 3.03Å; D869-Y871 VanDerWaalsContact C-N 3.31Å; D869-Y871 PolarHBondContact O-N 2.74Å; Y871-V873 PolarHBondContact O-N 3.31Å; Y871-N874 CarbonylContact O-C 3.57Å; Y871-N874 PolarHBondContact O-N 2.92Å; Y871-N874 VanDerWaalsContact O-N 3.08Å; Y871-L875 HydrophobicContact CE1-CD2 4.38Å; Y871-L875 PolarHBondContact O-N 3.48Å; Y871-C905 WeakPolarHBondContact OH-CB 3.38Å; Y871-I908 HydrophobicContact CD2-CG2 4.4Å; Y871-W909 HydrophobicContact CD1-CE3 4.05Å; Y871-W909 AromaticContact CD1-CZ3 3.97Å; Y871-W909 HydrophobicContact CD1-CZ3 3.97Å; Y871-W909 AromaticContact CD2-CE3 3.63Å; Y871-W909 HydrophobicContact CD2-CE3 3.63Å; Y871-W909 HydrophobicContact CD2-CZ3 4.24Å; Y871-W909 HydrophobicContact CE1-CE3 4.21Å; Y871-W909 HydrophobicContact CE1-CZ3 4.4Å; Y871-W909 HydrophobicContact CE2-CB 4.25Å; Y871-W909 AromaticContact CE2-CE3 3.81Å; Y871-W909 HydrophobicContact CE2-CE3 3.81Å; Y871-W909 AromaticContact CG-CE3 3.75Å; Y871-W909 HydrophobicContact CG-CE3 3.75Å; Y871-W909 AromaticContact CG-CZ3 3.87Å; Y871-W909 HydrophobicContact CG-CZ3 3.87Å; Y871-I912 HydrophobicContact CD2-CD1 4.19Å
872	T	90.3	Very high	88.8	Confident	61 Å²	61	62.7 Å²	62.7	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-43.1	180	-56.4	0	0	0	0	112	L868 D869 N874 L875 H876	L868-T872 WeakPolarHBondContact O-CB 3.44Å; L868-T872 PolarHBondContact O-N 3.22Å; L868-T872 PolarHBondContact O-OG1 2.78Å; D869-T872 PolarHBondContact O-N 3.47Å; T872-N874 PolarHBondContact O-N 3.47Å; T872-L875 PolarHBondContact O-N 3.17Å; T872-H876 PolarHBondContact O-N 3.02Å; T872-H876 VanDerWaalsContact O-N 3.14Å
873	V	90.3	Very high	90.3	Very high	90 Å²	90	62.8 Å²	62.8	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-35.1	173.6	169.9	0	0	0	0	112	D869 Y871 R877	D869-V873 WeakPolarHBondContact O-CG2 3.42Å; D869-V873 PolarHBondContact O-N 2.89Å; Y871-V873 PolarHBondContact O-N 3.31Å; V873-R877 VanDerWaalsContact O-CD 3.28Å; V873-R877 WeakPolarHBondContact O-CD 3.47Å; V873-R877 WeakPolarHBondContact O-CG 3.39Å
874	N	93.8	Very high	91.1	Very high	6 Å²	6	66.5 Å²	66.5	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-79	-36.4	176.1	-74.7	-64.9	0	0	0	112.8	L870 Y871 T872 H876 R877 I878 I908 Y916	L870-N874 PolarHBondContact O-N 3.27Å; L870-N874 PolarHBondContact O-ND2 3.42Å; Y871-N874 CarbonylContact O-C 3.57Å; Y871-N874 PolarHBondContact O-N 2.92Å; Y871-N874 VanDerWaalsContact O-N 3.08Å; T872-N874 PolarHBondContact O-N 3.47Å; N874-H876 PolarHBondContact O-N 2.82Å; N874-R877 WeakPolarHBondContact O-CB 3.33Å; N874-R877 PolarHBondContact O-N 3.08Å; N874-R877 VanDerWaalsContact O-N 3.1Å; N874-R877 PolarHBondContact OD1-NH1 3.02Å; N874-I878 WeakPolarHBondContact O-CG1 3.47Å; N874-I878 PolarHBondContact O-N 3.43Å; N874-I908 HydrophobicContact CB-CG2 3.85Å; N874-Y916 WeakPolarHBondContact OD1-CB 3.23Å; N874-Y916 PolarHBondContact OD1-N 3.46Å
875	L	93.1	Very high	91.5	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-48.3	177.4	-177.9	58.4	0	0	0	111.8	F670 Y871 T872 R877 I878 E879 C905	F670-L875 HydrophobicContact CE2-CD2 3.93Å; F670-L875 HydrophobicContact CZ-CD2 3.87Å; Y871-L875 HydrophobicContact CE1-CD2 4.38Å; Y871-L875 PolarHBondContact O-N 3.48Å; T872-L875 PolarHBondContact O-N 3.17Å; L875-R877 PolarHBondContact O-N 3.06Å; L875-R877 VanDerWaalsContact O-N 3.17Å; L875-I878 WeakPolarHBondContact O-CB 3.28Å; L875-I878 PolarHBondContact O-N 2.88Å; L875-I878 VanDerWaalsContact O-N 3.1Å; L875-E879 HydrophobicContact CD1-CG 4.31Å; L875-E879 WeakPolarHBondContact O-CG 3.48Å; L875-E879 PolarHBondContact O-N 3.33Å; L875-C905 WeakPolarHBondContact CD1-SG 3.49Å
876	H	91.7	Very high	92	Very high	104 Å²	104	61 Å²	61	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-28.1	176.8	-170.6	58.7	0	0	0	113.3	T872 N874 K880	T872-H876 PolarHBondContact O-N 3.02Å; T872-H876 VanDerWaalsContact O-N 3.14Å; N874-H876 PolarHBondContact O-N 2.82Å; H876-K880 PolarHBondContact CE1-NZ 3.43Å; H876-K880 WeakPolarHBondContact NE2-CE 3.43Å; H876-K880 PolarHBondContact NE2-NZ 2.73Å; H876-K880 WeakPolarHBondContact O-CG 3.34Å; H876-K880 PolarHBondContact O-N 3.06Å
877	R	94.8	Very high	92.2	Very high	101 Å²	101	64.3 Å²	64.3	38%	0.381	30%	0.3	S	S	.	.	H	α-helix	trans	-81.8	-36.6	176.1	-65.1	167.9	66.5	-132.8	-3.6	112	V873 N874 L875 D881 Y916	V873-R877 VanDerWaalsContact O-CD 3.28Å; V873-R877 WeakPolarHBondContact O-CD 3.47Å; V873-R877 WeakPolarHBondContact O-CG 3.39Å; N874-R877 WeakPolarHBondContact O-CB 3.33Å; N874-R877 PolarHBondContact O-N 3.08Å; N874-R877 VanDerWaalsContact O-N 3.1Å; N874-R877 PolarHBondContact OD1-NH1 3.02Å; L875-R877 PolarHBondContact O-N 3.06Å; L875-R877 VanDerWaalsContact O-N 3.17Å; R877-D881 PolarHBondContact O-N 2.97Å; R877-Y916 HydrophobicContact CB-CD1 3.76Å; R877-Y916 HydrophobicContact CB-CE1 4.36Å; R877-Y916 PolarHBondContact NH1-O 3.43Å; R877-Y916 PolarHBondContact NH2-O 3.46Å
878	I	96	Very high	92.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-49.6	170.2	-68.2	162.6	0	0	0	109.8	N874 L875 K880 D881 V882 R901 M904 I908 Y916	N874-I878 WeakPolarHBondContact O-CG1 3.47Å; N874-I878 PolarHBondContact O-N 3.43Å; L875-I878 WeakPolarHBondContact O-CB 3.28Å; L875-I878 PolarHBondContact O-N 2.88Å; L875-I878 VanDerWaalsContact O-N 3.1Å; I878-K880 PolarHBondContact O-N 3.31Å; I878-D881 CarbonylContact O-C 3.56Å; I878-D881 PolarHBondContact O-N 3.35Å; I878-V882 HydrophobicContact CG2-CG2 3.9Å; I878-V882 VanDerWaalsContact O-CG2 3.31Å; I878-V882 WeakPolarHBondContact O-CG2 3.25Å; I878-V882 PolarHBondContact O-N 2.92Å; I878-R901 HydrophobicContact CG2-CG 4.43Å; I878-M904 HydrophobicContact CD1-CB 4.16Å; I878-M904 HydrophobicContact CG1-CB 4.17Å; I878-M904 HydrophobicContact CG2-CB 3.68Å; I878-M904 HydrophobicContact CG2-CG 4.39Å; I878-I908 HydrophobicContact CD1-CB 4.31Å; I878-I908 HydrophobicContact CD1-CG1 4.02Å; I878-Y916 HydrophobicContact CD1-CD2 4.37Å; I878-Y916 HydrophobicContact CG1-CD2 3.46Å; I878-Y916 VanDerWaalsContact CG1-CD2 3.46Å; I878-Y916 HydrophobicContact CG1-CE2 3.9Å; I878-Y916 HydrophobicContact CG1-CG 3.82Å
879	E	93.8	Very high	92.8	Very high	46 Å²	46	70.7 Å²	70.7	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-41.2	-173.1	-71	172.4	158.7	0	0	112.4	L875 D881 V882 Q883 R901	L875-E879 HydrophobicContact CD1-CG 4.31Å; L875-E879 WeakPolarHBondContact O-CG 3.48Å; L875-E879 PolarHBondContact O-N 3.33Å; E879-D881 VanDerWaalsContact C-N 3.27Å; E879-D881 PolarHBondContact O-N 2.74Å; E879-V882 PolarHBondContact O-N 3.27Å; E879-Q883 WeakPolarHBondContact O-CG 3.35Å; E879-Q883 PolarHBondContact O-N 2.9Å; E879-R901 IonicContact OE1-CZ 3.71Å; E879-R901 IonicContact OE1-NE 2.75Å; E879-R901 PolarHBondContact OE1-NE 3.47Å; E879-R901 IonicContact OE1-NH2 3.09Å; E879-R901 PolarHBondContact OE1-NH2 3.29Å
880	K	94.6	Very high	93.1	Very high	113 Å²	113	74.9 Å²	74.9	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-34	171.4	-78	172.7	171.4	170.3	0	113.1	H876 I878 R884	H876-K880 PolarHBondContact CE1-NZ 3.43Å; H876-K880 WeakPolarHBondContact NE2-CE 3.43Å; H876-K880 PolarHBondContact NE2-NZ 2.73Å; H876-K880 WeakPolarHBondContact O-CG 3.34Å; H876-K880 PolarHBondContact O-N 3.06Å; I878-K880 PolarHBondContact O-N 3.31Å; K880-R884 WeakPolarHBondContact O-CD 3.4Å; K880-R884 VanDerWaalsContact O-CG 3.32Å; K880-R884 WeakPolarHBondContact O-CG 3.47Å
881	D	96	Very high	93.5	Very high	13 Å²	13	71.4 Å²	71.4	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-81.7	-37.8	178	-84.6	21.2	0	0	0	113.1	R877 I878 E879 R884 C885 Y916 Q918 C921	R877-D881 PolarHBondContact O-N 2.97Å; I878-D881 CarbonylContact O-C 3.56Å; I878-D881 PolarHBondContact O-N 3.35Å; E879-D881 VanDerWaalsContact C-N 3.27Å; E879-D881 PolarHBondContact O-N 2.74Å; D881-R884 WeakPolarHBondContact O-CG 3.19Å; D881-R884 PolarHBondContact O-N 3.43Å; D881-R884 IonicContact OD1-CZ 3.72Å; D881-R884 IonicContact OD1-NE 3.42Å; D881-R884 PolarHBondContact OD1-NE 3.04Å; D881-R884 IonicContact OD1-NH2 2.85Å; D881-R884 PolarHBondContact OD1-NH2 3.07Å; D881-R884 IonicContact OD2-NH2 3.32Å; D881-C885 WeakPolarHBondContact O-CB 3.3Å; D881-C885 PolarHBondContact O-N 3.28Å; D881-Y916 HydrophobicContact CB-CE1 4.25Å; D881-Y916 WeakPolarHBondContact CB-OH 3.38Å; D881-Y916 VanDerWaalsContact CG-OH 3.26Å; D881-Y916 WeakPolarHBondContact OD2-CE1 3.42Å; D881-Y916 PolarHBondContact OD2-OH 2.75Å; D881-Q918 WeakPolarHBondContact OD2-CA 3.16Å; D881-C921 HydrophobicContact CB-CB 4.45Å
882	V	96.2	Very high	93.7	Very high	10 Å²	10	71 Å²	71	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-47.6	174.7	169.8	0	0	0	0	110.6	I878 E879 R884 C885 L897 L900 R901	I878-V882 HydrophobicContact CG2-CG2 3.9Å; I878-V882 VanDerWaalsContact O-CG2 3.31Å; I878-V882 WeakPolarHBondContact O-CG2 3.25Å; I878-V882 PolarHBondContact O-N 2.92Å; E879-V882 PolarHBondContact O-N 3.27Å; V882-R884 PolarHBondContact O-N 2.95Å; V882-R884 VanDerWaalsContact O-N 3.11Å; V882-C885 PolarHBondContact O-N 2.97Å; V882-C885 VanDerWaalsContact O-N 3.08Å; V882-L897 HydrophobicContact CG1-CB 3.96Å; V882-L897 HydrophobicContact CG1-CD2 4.1Å; V882-L897 WeakPolarHBondContact CG1-O 3.49Å; V882-L897 WeakPolarHBondContact O-CD2 3.28Å; V882-L900 HydrophobicContact CG1-CD2 4.38Å; V882-L900 HydrophobicContact CG2-CD2 4.17Å; V882-L900 HydrophobicContact CG2-CG 4.44Å; V882-R901 HydrophobicContact CG1-CB 4.33Å; V882-R901 HydrophobicContact CG2-CB 4.1Å
883	Q	92.9	Very high	94	Very high	141 Å²	141	71.3 Å²	71.3	66%	0.659	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.7	-179.7	-72.9	178.9	9.7	0	0	114.1	E879	E879-Q883 WeakPolarHBondContact O-CG 3.35Å; E879-Q883 PolarHBondContact O-N 2.9Å
884	R	93.8	Very high	94.2	Very high	138 Å²	138	72.4 Å²	72.4	52%	0.521	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.2	178	68.9	-169.9	178.9	149.8	-3.8	114.2	K880 D881 V882 D886	K880-R884 WeakPolarHBondContact O-CD 3.4Å; K880-R884 VanDerWaalsContact O-CG 3.32Å; K880-R884 WeakPolarHBondContact O-CG 3.47Å; D881-R884 WeakPolarHBondContact O-CG 3.19Å; D881-R884 PolarHBondContact O-N 3.43Å; D881-R884 IonicContact OD1-CZ 3.72Å; D881-R884 IonicContact OD1-NE 3.42Å; D881-R884 PolarHBondContact OD1-NE 3.04Å; D881-R884 IonicContact OD1-NH2 2.85Å; D881-R884 PolarHBondContact OD1-NH2 3.07Å; D881-R884 IonicContact OD2-NH2 3.32Å; V882-R884 PolarHBondContact O-N 2.95Å; V882-R884 VanDerWaalsContact O-N 3.11Å; R884-D886 PolarHBondContact O-N 2.93Å; R884-D886 VanDerWaalsContact O-N 3.16Å
885	C	95.1	Very high	94.2	Very high	2 Å²	2	75 Å²	75	1%	0.014	35%	0.351	C	S	.	.	S	Bend	trans	-71.1	110.4	-175.9	-165.3	0	0	0	0	110.7	D881 V882 R887 L900 C921	D881-C885 WeakPolarHBondContact O-CB 3.3Å; D881-C885 PolarHBondContact O-N 3.28Å; V882-C885 PolarHBondContact O-N 2.97Å; V882-C885 VanDerWaalsContact O-N 3.08Å; C885-R887 PolarHBondContact O-N 3.07Å; C885-L900 HydrophobicContact CB-CD2 3.75Å; C885-C921 HydrophobicContact CB-CB 4.42Å
886	D	93.6	Very high	94.3	Very high	20 Å²	20	75.3 Å²	75.3	11%	0.107	35%	0.354	C	S	.	.	S	Bend	trans	46.8	33.1	167.1	-67.4	19.2	0	0	0	115.5	R884 N888 Y889 F892 K1001 R1002 Y1006	R884-D886 PolarHBondContact O-N 2.93Å; R884-D886 VanDerWaalsContact O-N 3.16Å; D886-N888 PolarHBondContact O-N 3.14Å; D886-Y889 WeakPolarHBondContact O-CB 3.35Å; D886-Y889 PolarHBondContact O-N 3.38Å; D886-F892 HydrophobicContact CB-CD2 3.91Å; D886-F892 HydrophobicContact CB-CE2 4.04Å; D886-K1001 VanDerWaalsContact OD2-CE 3.3Å; D886-K1001 WeakPolarHBondContact OD2-CE 3.34Å; D886-K1001 IonicContact OD2-NZ 3.03Å; D886-K1001 PolarHBondContact OD2-NZ 3.48Å; D886-R1002 IonicContact OD1-CZ 2.69Å; D886-R1002 IonicContact OD1-NH1 3.7Å; D886-R1002 PolarHBondContact OD1-NH1 2.8Å; D886-R1002 IonicContact OD1-NH2 2.75Å; D886-R1002 PolarHBondContact OD1-NH2 3.11Å; D886-R1002 IonicContact OD2-NH1 3.38Å; D886-Y1006 HydrophobicContact CB-CE2 4.47Å; D886-Y1006 VanDerWaalsContact OD2-CE2 3.25Å; D886-Y1006 WeakPolarHBondContact OD2-CE2 3.47Å; D886-Y1006 VanDerWaalsContact OD2-CZ 3.28Å; D886-Y1006 PolarHBondContact OD2-OH 3.35Å
887	R	90	Very high	94.5	Very high	196 Å²	196	71.9 Å²	71.9	74%	0.74	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.2	-171.9	-177.7	175.3	172	-174.8	-1.3	115.8	C885	C885-R887 PolarHBondContact O-N 3.07Å
888	N	89.9	Confident	94.6	Very high	170 Å²	170	71.8 Å²	71.8	91%	0.909	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.3	176.7	-64.2	-15.1	0	0	0	113.2	D886	D886-N888 PolarHBondContact O-N 3.14Å
889	Y	95.4	Very high	94.6	Very high	56 Å²	56	74.3 Å²	74.3	22%	0.22	35%	0.353	C	S	.	.	S	Bend	trans	-89.3	127.2	180	-172.4	-104.2	0	0	0	110.5	D886 Y891 F892 V929 Y1006	D886-Y889 WeakPolarHBondContact O-CB 3.35Å; D886-Y889 PolarHBondContact O-N 3.38Å; Y889-Y891 PolarHBondContact O-N 3.43Å; Y889-F892 HydrophobicContact CD1-CD2 4.07Å; Y889-F892 HydrophobicContact CD1-CE2 4.06Å; Y889-F892 PolarHBondContact O-N 2.96Å; Y889-V929 HydrophobicContact CD1-CG2 4.32Å; Y889-V929 HydrophobicContact CE1-CG1 3.85Å; Y889-V929 HydrophobicContact CE1-CG2 3.88Å; Y889-Y1006 HydrophobicContact CD1-CD2 4.1Å; Y889-Y1006 AromaticContact CD1-CE2 3.9Å; Y889-Y1006 HydrophobicContact CD1-CE2 3.9Å; Y889-Y1006 AromaticContact CD2-CD2 3.53Å; Y889-Y1006 HydrophobicContact CD2-CD2 3.53Å; Y889-Y1006 AromaticContact CD2-CE2 3.96Å; Y889-Y1006 HydrophobicContact CD2-CE2 3.96Å; Y889-Y1006 HydrophobicContact CD2-CG 4.25Å; Y889-Y1006 HydrophobicContact CE1-CD1 4.39Å; Y889-Y1006 HydrophobicContact CE1-CD2 4.14Å; Y889-Y1006 HydrophobicContact CE1-CE1 4.48Å; Y889-Y1006 HydrophobicContact CE1-CE2 4.27Å; Y889-Y1006 HydrophobicContact CE1-CG 4.21Å; Y889-Y1006 AromaticContact CE2-CD2 3.57Å; Y889-Y1006 HydrophobicContact CE2-CD2 3.57Å; Y889-Y1006 HydrophobicContact CE2-CE2 4.32Å; Y889-Y1006 AromaticContact CE2-CG 3.82Å; Y889-Y1006 HydrophobicContact CE2-CG 3.82Å; Y889-Y1006 AromaticContact CG-CD2 3.81Å; Y889-Y1006 HydrophobicContact CG-CD2 3.81Å; Y889-Y1006 AromaticContact CG-CE2 3.73Å; Y889-Y1006 HydrophobicContact CG-CE2 3.73Å; Y889-Y1006 AromaticContact CZ-CD2 3.89Å; Y889-Y1006 AromaticContact CZ-CG 3.79Å
890	W	94.8	Very high	94.7	Very high	191 Å²	191	72.1 Å²	72.1	72%	0.723	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.5	-165.9	67.2	-91.4	0	0	0	115.6
891	Y	96.1	Very high	94.9	Very high	9 Å²	9	70.2 Å²	70.2	4%	0.035	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.3	-178.4	179.7	-93.1	0	0	0	113.2	Y889 T893 N896 L928 V929 D932	Y889-Y891 PolarHBondContact O-N 3.43Å; Y891-T893 PolarHBondContact O-N 2.88Å; Y891-N896 HydrophobicContact CD1-CB 4.24Å; Y891-N896 HydrophobicContact CE1-CB 3.84Å; Y891-N896 WeakPolarHBondContact CE2-ND2 3.33Å; Y891-N896 WeakPolarHBondContact O-CB 3.32Å; Y891-N896 PolarHBondContact O-ND2 3.31Å; Y891-L928 HydrophobicContact CE1-CD2 4.35Å; Y891-L928 HydrophobicContact CE1-CG 3.94Å; Y891-L928 PolarHBondContact OH-O 2.69Å; Y891-V929 HydrophobicContact CD1-CB 4.36Å; Y891-V929 HydrophobicContact CD1-CG2 3.5Å; Y891-V929 VanDerWaalsContact CD1-CG2 3.5Å; Y891-V929 HydrophobicContact CE1-CG2 4.08Å; Y891-V929 HydrophobicContact CG-CB 4.46Å; Y891-V929 HydrophobicContact CG-CG2 3.82Å; Y891-D932 HydrophobicContact CE2-CB 4.37Å; Y891-D932 PolarHBondContact OH-OD1 2.95Å; Y891-D932 VanDerWaalsContact OH-OD1 3.07Å
892	F	96.5	Very high	94.8	Very high	13 Å²	13	70.6 Å²	70.6	6%	0.057	34%	0.335	C	S	.	.			trans	-83.1	57.2	-173.1	-68.7	-70.8	0	0	0	113.5	D886 Y889 L897 L900 A925 L928 V929	D886-F892 HydrophobicContact CB-CD2 3.91Å; D886-F892 HydrophobicContact CB-CE2 4.04Å; Y889-F892 HydrophobicContact CD1-CD2 4.07Å; Y889-F892 HydrophobicContact CD1-CE2 4.06Å; Y889-F892 PolarHBondContact O-N 2.96Å; F892-L897 HydrophobicContact CB-CD2 4.01Å; F892-L897 HydrophobicContact CB-CG 4.25Å; F892-L897 HydrophobicContact CD1-CD2 3.83Å; F892-L897 HydrophobicContact CD1-CG 4.48Å; F892-L897 HydrophobicContact CG-CD2 4.26Å; F892-L900 HydrophobicContact CE1-CD1 4.28Å; F892-L900 HydrophobicContact CE1-CD2 4.47Å; F892-A925 HydrophobicContact CE1-CB 4.39Å; F892-A925 HydrophobicContact CE2-CB 4.19Å; F892-A925 HydrophobicContact CZ-CB 3.6Å; F892-L928 HydrophobicContact CE1-CD2 4.49Å; F892-V929 HydrophobicContact CE2-CG2 3.7Å; F892-V929 HydrophobicContact CZ-CG2 3.66Å
893	T	95.5	Very high	94.9	Very high	66 Å²	66	70.1 Å²	70.1	41%	0.405	33%	0.332	S	S	.	.			trans	-61.7	158.6	161.9	66.4	0	0	0	0	110.8	Y891 A895 N896 L897	Y891-T893 PolarHBondContact O-N 2.88Å; T893-A895 VanDerWaalsContact C-N 3.26Å; T893-A895 PolarHBondContact O-N 3.1Å; T893-A895 VanDerWaalsContact O-N 3.17Å; T893-N896 PolarHBondContact O-N 3.49Å; T893-L897 PolarHBondContact O-N 3.45Å
894	P	94.5	Very high	95	Very high	113 Å²	113	63.4 Å²	63.4	73%	0.734	30%	0.301	S	S	*	.	H	α-helix	trans	-52.5	-39.2	178.9	-29.5	36.6	0	0	0	114.4	N896 L897 E898	P894-N896 VanDerWaalsContact C-N 3.34Å; P894-N896 PolarHBondContact O-N 2.79Å; P894-L897 PolarHBondContact O-N 3.35Å; P894-E898 PolarHBondContact O-N 3.45Å
895	A	94.4	Very high	95.1	Very high	60 Å²	60	57.3 Å²	57.3	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-67.2	-31.9	176.7	0	0	0	0	0	113.3	T893 E898 K899	T893-A895 VanDerWaalsContact C-N 3.26Å; T893-A895 PolarHBondContact O-N 3.1Å; T893-A895 VanDerWaalsContact O-N 3.17Å; A895-E898 WeakPolarHBondContact O-CB 3.21Å; A895-E898 PolarHBondContact O-N 3.03Å; A895-K899 PolarHBondContact O-N 3.47Å
896	N	95.6	Very high	95.1	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.107	28%	0.283	C	S	.	.	H	α-helix	trans	-81.7	-25.6	175.2	-73.5	-14.1	0	0	0	112.4	Y891 T893 P894 K899 L900	Y891-N896 HydrophobicContact CD1-CB 4.24Å; Y891-N896 HydrophobicContact CE1-CB 3.84Å; Y891-N896 WeakPolarHBondContact CE2-ND2 3.33Å; Y891-N896 WeakPolarHBondContact O-CB 3.32Å; Y891-N896 PolarHBondContact O-ND2 3.31Å; T893-N896 PolarHBondContact O-N 3.49Å; P894-N896 VanDerWaalsContact C-N 3.34Å; P894-N896 PolarHBondContact O-N 2.79Å; N896-K899 WeakPolarHBondContact OD1-CD 3.45Å; N896-K899 WeakPolarHBondContact OD1-CE 3.37Å; N896-K899 PolarHBondContact OD1-NZ 2.94Å; N896-L900 PolarHBondContact O-N 3.37Å
897	L	96.1	Very high	95.2	Very high	31 Å²	31	57 Å²	57	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-33.9	166.1	-68.9	173.3	0	0	0	111.7	V882 F892 T893 P894 L900 R901	V882-L897 HydrophobicContact CG1-CB 3.96Å; V882-L897 HydrophobicContact CG1-CD2 4.1Å; V882-L897 WeakPolarHBondContact CG1-O 3.49Å; V882-L897 WeakPolarHBondContact O-CD2 3.28Å; F892-L897 HydrophobicContact CB-CD2 4.01Å; F892-L897 HydrophobicContact CB-CG 4.25Å; F892-L897 HydrophobicContact CD1-CD2 3.83Å; F892-L897 HydrophobicContact CD1-CG 4.48Å; F892-L897 HydrophobicContact CG-CD2 4.26Å; T893-L897 PolarHBondContact O-N 3.45Å; P894-L897 PolarHBondContact O-N 3.35Å; L897-L900 HydrophobicContact CD2-CD2 4.28Å; L897-L900 WeakPolarHBondContact O-CB 3.25Å; L897-L900 PolarHBondContact O-N 2.93Å; L897-R901 PolarHBondContact O-N 3.42Å
898	E	95.5	Very high	95.4	Very high	100 Å²	100	47.7 Å²	47.7	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-47.5	171.4	-160.3	-156.9	134.5	0	0	111.4	P894 A895 L900 R901 N902	P894-E898 PolarHBondContact O-N 3.45Å; A895-E898 WeakPolarHBondContact O-CB 3.21Å; A895-E898 PolarHBondContact O-N 3.03Å; E898-L900 VanDerWaalsContact C-N 3.26Å; E898-L900 PolarHBondContact O-N 3.16Å; E898-R901 PolarHBondContact O-N 3.05Å; E898-N902 WeakPolarHBondContact O-CB 2.89Å; E898-N902 PolarHBondContact O-N 3.09Å; E898-N902 PolarHBondContact O-ND2 3.02Å; E898-N902 PolarHBondContact O-OD1 2.96Å; E898-N902 PolarHBondContact OE1-ND2 2.83Å
899	K	96.1	Very high	95.4	Very high	52 Å²	52	41.9 Å²	41.9	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-52.5	-44.9	170.3	-67.9	174.1	-173.7	162.9	0	111.5	A895 N896 N902 I903 L928 D932 E934	A895-K899 PolarHBondContact O-N 3.47Å; N896-K899 WeakPolarHBondContact OD1-CD 3.45Å; N896-K899 WeakPolarHBondContact OD1-CE 3.37Å; N896-K899 PolarHBondContact OD1-NZ 2.94Å; K899-N902 PolarHBondContact O-N 2.66Å; K899-I903 WeakPolarHBondContact O-CD1 3.39Å; K899-I903 VanDerWaalsContact O-CG1 3.24Å; K899-I903 WeakPolarHBondContact O-CG1 3.4Å; K899-I903 PolarHBondContact O-N 2.85Å; K899-I903 VanDerWaalsContact O-N 3.07Å; K899-L928 HydrophobicContact CB-CD1 4.21Å; K899-L928 HydrophobicContact CB-CD2 3.95Å; K899-L928 HydrophobicContact CD-CD1 4.3Å; K899-D932 IonicContact NZ-OD1 3.2Å; K899-D932 PolarHBondContact NZ-OD1 3.32Å; K899-E934 HydrophobicContact CB-CG 4.22Å; K899-E934 HydrophobicContact CG-CG 4.35Å
900	L	96.9	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-49.3	179.3	-164.8	79.2	0	0	0	111.5	V882 C885 F892 N896 L897 E898 M904 C921 L924 L928	V882-L900 HydrophobicContact CG1-CD2 4.38Å; V882-L900 HydrophobicContact CG2-CD2 4.17Å; V882-L900 HydrophobicContact CG2-CG 4.44Å; C885-L900 HydrophobicContact CB-CD2 3.75Å; F892-L900 HydrophobicContact CE1-CD1 4.28Å; F892-L900 HydrophobicContact CE1-CD2 4.47Å; N896-L900 PolarHBondContact O-N 3.37Å; L897-L900 HydrophobicContact CD2-CD2 4.28Å; L897-L900 WeakPolarHBondContact O-CB 3.25Å; L897-L900 PolarHBondContact O-N 2.93Å; E898-L900 VanDerWaalsContact C-N 3.26Å; E898-L900 PolarHBondContact O-N 3.16Å; L900-M904 WeakPolarHBondContact O-CG 3.32Å; L900-M904 PolarHBondContact O-N 3.37Å; L900-M904 VanDerWaalsContact O-N 3.15Å; L900-C921 HydrophobicContact CD2-CB 4.39Å; L900-L924 HydrophobicContact CD1-CB 4.09Å; L900-L924 HydrophobicContact CD1-CD2 3.49Å; L900-L924 VanDerWaalsContact CD1-CD2 3.49Å; L900-L924 HydrophobicContact CD1-CG 3.64Å; L900-L924 HydrophobicContact CG-CD2 4.09Å; L900-L928 HydrophobicContact CB-CD2 3.96Å; L900-L928 HydrophobicContact CD1-CD2 3.83Å
901	R	97.1	Very high	95	Very high	73 Å²	73	36.2 Å²	36.2	28%	0.275	19%	0.192	S	C	.	.	H	α-helix	trans	-56.2	-53.2	174.3	178.3	-178.2	177.6	-92.7	8.3	111.2	I878 E879 V882 L897 E898 I903 M904 C905	I878-R901 HydrophobicContact CG2-CG 4.43Å; E879-R901 IonicContact OE1-CZ 3.71Å; E879-R901 IonicContact OE1-NE 2.75Å; E879-R901 PolarHBondContact OE1-NE 3.47Å; E879-R901 IonicContact OE1-NH2 3.09Å; E879-R901 PolarHBondContact OE1-NH2 3.29Å; V882-R901 HydrophobicContact CG1-CB 4.33Å; V882-R901 HydrophobicContact CG2-CB 4.1Å; L897-R901 PolarHBondContact O-N 3.42Å; E898-R901 PolarHBondContact O-N 3.05Å; R901-I903 VanDerWaalsContact C-N 3.32Å; R901-I903 PolarHBondContact O-N 3Å; R901-M904 PolarHBondContact O-N 3.15Å; R901-M904 VanDerWaalsContact O-N 3.09Å; R901-C905 WeakPolarHBondContact O-CB 3.49Å; R901-C905 PolarHBondContact O-N 2.87Å; R901-C905 PolarHBondContact O-SG 2.91Å
902	N	95.6	Very high	94.6	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-37.3	-174.1	-68.2	-14.1	0	0	0	112.6	E898 K899 S906 E934	E898-N902 WeakPolarHBondContact O-CB 2.89Å; E898-N902 PolarHBondContact O-N 3.09Å; E898-N902 PolarHBondContact O-ND2 3.02Å; E898-N902 PolarHBondContact O-OD1 2.96Å; E898-N902 PolarHBondContact OE1-ND2 2.83Å; K899-N902 PolarHBondContact O-N 2.66Å; N902-S906 WeakPolarHBondContact O-CB 3.46Å; N902-S906 PolarHBondContact O-N 3.01Å; N902-S906 PolarHBondContact O-OG 2.88Å; N902-E934 WeakPolarHBondContact CB-OE1 2.86Å; N902-E934 PolarHBondContact ND2-OE1 2.95Å
903	I	96.6	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-45	173.8	-65.1	164.1	0	0	0	110.9	K899 R901 S906 Y907 L924 L928 E934 A937 F938	K899-I903 WeakPolarHBondContact O-CD1 3.39Å; K899-I903 VanDerWaalsContact O-CG1 3.24Å; K899-I903 WeakPolarHBondContact O-CG1 3.4Å; K899-I903 PolarHBondContact O-N 2.85Å; K899-I903 VanDerWaalsContact O-N 3.07Å; R901-I903 VanDerWaalsContact C-N 3.32Å; R901-I903 PolarHBondContact O-N 3Å; I903-S906 PolarHBondContact O-N 3.2Å; I903-Y907 PolarHBondContact O-N 2.99Å; I903-L924 HydrophobicContact CB-CD2 3.69Å; I903-L924 HydrophobicContact CD1-CD1 4.21Å; I903-L924 HydrophobicContact CD1-CD2 4.18Å; I903-L924 HydrophobicContact CG2-CD1 3.77Å; I903-L924 HydrophobicContact CG2-CD2 3.57Å; I903-L924 HydrophobicContact CG2-CG 4.35Å; I903-L928 HydrophobicContact CD1-CD1 3.91Å; I903-E934 HydrophobicContact CD1-CG 3.91Å; I903-E934 HydrophobicContact CG1-CG 3.69Å; I903-A937 HydrophobicContact CD1-CB 3.92Å; I903-F938 HydrophobicContact CG1-CB 4.4Å; I903-F938 HydrophobicContact CG2-CB 3.99Å; I903-F938 HydrophobicContact CG2-CD2 4.15Å
904	M	96.8	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-46	177.3	-67.8	-72.2	80.4	0	0	111.9	I878 L900 R901 S906 Y907 I908 Y916 M920 L924 F941	I878-M904 HydrophobicContact CD1-CB 4.16Å; I878-M904 HydrophobicContact CG1-CB 4.17Å; I878-M904 HydrophobicContact CG2-CB 3.68Å; I878-M904 HydrophobicContact CG2-CG 4.39Å; L900-M904 WeakPolarHBondContact O-CG 3.32Å; L900-M904 PolarHBondContact O-N 3.37Å; L900-M904 VanDerWaalsContact O-N 3.15Å; R901-M904 PolarHBondContact O-N 3.15Å; R901-M904 VanDerWaalsContact O-N 3.09Å; M904-S906 VanDerWaalsContact C-N 3.35Å; M904-S906 PolarHBondContact O-N 3.19Å; M904-Y907 PolarHBondContact O-N 3.48Å; M904-I908 WeakPolarHBondContact O-CB 3.12Å; M904-I908 WeakPolarHBondContact O-CG1 3.31Å; M904-I908 PolarHBondContact O-N 3.24Å; M904-Y916 HydrophobicContact SD-CE2 4.17Å; M904-M920 HydrophobicContact SD-CB 4.04Å; M904-L924 HydrophobicContact CE-CB 4.08Å; M904-L924 HydrophobicContact CE-CD2 3.68Å; M904-L924 HydrophobicContact CE-CG 4.4Å; M904-L924 HydrophobicContact CG-CD2 4.02Å; M904-L924 HydrophobicContact SD-CD2 4.28Å; M904-F941 HydrophobicContact CE-CD1 3.78Å; M904-F941 HydrophobicContact CE-CD2 4.32Å; M904-F941 HydrophobicContact CE-CE1 3.25Å; M904-F941 HydrophobicContact CE-CE2 3.86Å; M904-F941 HydrophobicContact CE-CG 4.28Å; M904-F941 HydrophobicContact CE-CZ 3.29Å; M904-F941 HydrophobicContact SD-CZ 4.29Å
905	C	95.4	Very high	93.6	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.068	19%	0.188	C	C	.	.	H	α-helix	trans	-55.6	-48	172.3	-66.7	0	0	0	0	111.6	Y871 L875 R901 Y907 I908 W909	Y871-C905 WeakPolarHBondContact OH-CB 3.38Å; L875-C905 WeakPolarHBondContact CD1-SG 3.49Å; R901-C905 WeakPolarHBondContact O-CB 3.49Å; R901-C905 PolarHBondContact O-N 2.87Å; R901-C905 PolarHBondContact O-SG 2.91Å; C905-Y907 VanDerWaalsContact C-N 3.35Å; C905-Y907 PolarHBondContact O-N 3.43Å; C905-I908 PolarHBondContact O-N 3.41Å; C905-W909 WeakPolarHBondContact O-CB 3.46Å; C905-W909 PolarHBondContact O-N 2.89Å
906	S	94.2	Very high	93.7	Very high	13 Å²	13	34.9 Å²	34.9	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-36.8	179.4	-58.8	0	0	0	0	113.2	N902 I903 M904	N902-S906 WeakPolarHBondContact O-CB 3.46Å; N902-S906 PolarHBondContact O-N 3.01Å; N902-S906 PolarHBondContact O-OG 2.88Å; I903-S906 PolarHBondContact O-N 3.2Å; M904-S906 VanDerWaalsContact C-N 3.35Å; M904-S906 PolarHBondContact O-N 3.19Å
907	Y	95.3	Very high	93.6	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-45.9	177.6	176.7	-85.9	0	0	0	111.3	I903 M904 C905 W909 Q910 H911 M920 F941 T942 M945 N949	I903-Y907 PolarHBondContact O-N 2.99Å; M904-Y907 PolarHBondContact O-N 3.48Å; C905-Y907 VanDerWaalsContact C-N 3.35Å; C905-Y907 PolarHBondContact O-N 3.43Å; Y907-W909 VanDerWaalsContact C-N 3.3Å; Y907-W909 PolarHBondContact O-N 3.44Å; Y907-Q910 CarbonylContact O-C 3.32Å; Y907-Q910 PolarHBondContact O-N 3.15Å; Y907-H911 HydrophobicContact CD1-CB 4.48Å; Y907-H911 AromaticContact CD2-CD2 3.78Å; Y907-H911 HydrophobicContact CE1-CB 4.01Å; Y907-H911 AromaticContact CE2-CD2 3.38Å; Y907-H911 WeakPolarHBondContact CE2-CD2 3.39Å; Y907-H911 AromaticContact CZ-CD2 3.5Å; Y907-H911 PolarHBondContact O-N 3.36Å; Y907-M920 HydrophobicContact CD1-CE 3.57Å; Y907-M920 HydrophobicContact CE1-CE 3.42Å; Y907-M920 VanDerWaalsContact CE1-CE 3.42Å; Y907-F941 AromaticContact CD1-CE1 3.9Å; Y907-F941 HydrophobicContact CD1-CE1 3.9Å; Y907-F941 AromaticContact CD2-CD1 3.72Å; Y907-F941 HydrophobicContact CD2-CD1 3.72Å; Y907-F941 AromaticContact CD2-CE1 3.74Å; Y907-F941 HydrophobicContact CD2-CE1 3.74Å; Y907-F941 HydrophobicContact CE1-CE1 4.22Å; Y907-F941 HydrophobicContact CE2-CD1 4.21Å; Y907-F941 HydrophobicContact CE2-CE1 4.05Å; Y907-F941 AromaticContact CG-CD1 3.97Å; Y907-F941 HydrophobicContact CG-CD1 3.97Å; Y907-F941 AromaticContact CG-CE1 3.67Å; Y907-F941 HydrophobicContact CG-CE1 3.67Å; Y907-T942 HydrophobicContact CE2-CG2 4.49Å; Y907-M945 HydrophobicContact CE2-CB 3.92Å; Y907-M945 HydrophobicContact CE2-CG 4Å; Y907-M945 VanDerWaalsContact OH-CB 3.31Å; Y907-M945 WeakPolarHBondContact OH-CB 3.46Å; Y907-N949 PolarHBondContact OH-ND2 3.33Å; Y907-N949 PolarHBondContact OH-OD1 2.64Å
908	I	94.9	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-30.7	179.4	-65.6	-56.5	0	0	0	112.3	Y871 N874 I878 M904 C905 Q910 H911 I912 G915 Y916 M920	Y871-I908 HydrophobicContact CD2-CG2 4.4Å; N874-I908 HydrophobicContact CB-CG2 3.85Å; I878-I908 HydrophobicContact CD1-CB 4.31Å; I878-I908 HydrophobicContact CD1-CG1 4.02Å; M904-I908 WeakPolarHBondContact O-CB 3.12Å; M904-I908 WeakPolarHBondContact O-CG1 3.31Å; M904-I908 PolarHBondContact O-N 3.24Å; C905-I908 PolarHBondContact O-N 3.41Å; I908-Q910 VanDerWaalsContact C-N 3.28Å; I908-Q910 PolarHBondContact O-N 3.26Å; I908-H911 CarbonylContact O-C 3.59Å; I908-H911 PolarHBondContact O-N 3.41Å; I908-I912 HydrophobicContact CG2-CD1 4.05Å; I908-I912 VanDerWaalsContact O-CA 3.27Å; I908-I912 WeakPolarHBondContact O-CA 3.42Å; I908-I912 PolarHBondContact O-N 2.86Å; I908-G915 VanDerWaalsContact CD1-C 3.42Å; I908-G915 VanDerWaalsContact CD1-O 3.29Å; I908-G915 WeakPolarHBondContact CD1-O 3.11Å; I908-Y916 HydrophobicContact CG1-CD2 4.36Å; I908-M920 HydrophobicContact CD1-CE 3.81Å; I908-M920 HydrophobicContact CD1-SD 4.44Å
909	W	91.1	Very high	93.3	Very high	49 Å²	49	34.6 Å²	34.6	19%	0.186	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-29.7	170.9	-171.3	-94.2	0	0	0	113.2	Y863 L867 L868 Y871 C905 Y907	Y863-W909 HydrophobicContact CD1-CH2 4.34Å; Y863-W909 HydrophobicContact CD1-CZ2 4.16Å; Y863-W909 HydrophobicContact CD2-CH2 4.29Å; Y863-W909 HydrophobicContact CE1-CH2 4.33Å; Y863-W909 AromaticContact CE1-CZ2 3.74Å; Y863-W909 HydrophobicContact CE1-CZ2 3.74Å; Y863-W909 HydrophobicContact CE2-CH2 4.28Å; Y863-W909 HydrophobicContact CE2-CZ2 4.12Å; Y863-W909 HydrophobicContact CG-CH2 4.33Å; Y863-W909 AromaticContact CZ-CZ2 3.73Å; L867-W909 HydrophobicContact CD2-CH2 3.67Å; L867-W909 HydrophobicContact CD2-CZ2 4.34Å; L867-W909 HydrophobicContact CD2-CZ3 3.92Å; L868-W909 HydrophobicContact CD2-CH2 4.4Å; Y871-W909 HydrophobicContact CD1-CE3 4.05Å; Y871-W909 AromaticContact CD1-CZ3 3.97Å; Y871-W909 HydrophobicContact CD1-CZ3 3.97Å; Y871-W909 AromaticContact CD2-CE3 3.63Å; Y871-W909 HydrophobicContact CD2-CE3 3.63Å; Y871-W909 HydrophobicContact CD2-CZ3 4.24Å; Y871-W909 HydrophobicContact CE1-CE3 4.21Å; Y871-W909 HydrophobicContact CE1-CZ3 4.4Å; Y871-W909 HydrophobicContact CE2-CB 4.25Å; Y871-W909 AromaticContact CE2-CE3 3.81Å; Y871-W909 HydrophobicContact CE2-CE3 3.81Å; Y871-W909 AromaticContact CG-CE3 3.75Å; Y871-W909 HydrophobicContact CG-CE3 3.75Å; Y871-W909 AromaticContact CG-CZ3 3.87Å; Y871-W909 HydrophobicContact CG-CZ3 3.87Å; C905-W909 WeakPolarHBondContact O-CB 3.46Å; C905-W909 PolarHBondContact O-N 2.89Å; Y907-W909 VanDerWaalsContact C-N 3.3Å; Y907-W909 PolarHBondContact O-N 3.44Å
910	Q	90	Very high	93.3	Very high	81 Å²	81	32.2 Å²	32.2	38%	0.379	15%	0.154	S	C	.	.	H	α-helix	trans	-87	-16.9	175.4	-69.3	179.6	40.2	0	0	113.6	I657 Y907 I908	I657-Q910 HydrophobicContact CD1-CG 4.33Å; Y907-Q910 CarbonylContact O-C 3.32Å; Y907-Q910 PolarHBondContact O-N 3.15Å; I908-Q910 VanDerWaalsContact C-N 3.28Å; I908-Q910 PolarHBondContact O-N 3.26Å
911	H	90.5	Very high	93.3	Very high	46 Å²	46	32.2 Å²	32.2	21%	0.213	15%	0.154	C	C	.	.			trans	-133.6	44.9	-174.5	-68.8	-57.3	0	0	0	111.9	Y907 I908 E913 I914 G915	Y907-H911 HydrophobicContact CD1-CB 4.48Å; Y907-H911 AromaticContact CD2-CD2 3.78Å; Y907-H911 HydrophobicContact CE1-CB 4.01Å; Y907-H911 AromaticContact CE2-CD2 3.38Å; Y907-H911 WeakPolarHBondContact CE2-CD2 3.39Å; Y907-H911 AromaticContact CZ-CD2 3.5Å; Y907-H911 PolarHBondContact O-N 3.36Å; I908-H911 CarbonylContact O-C 3.59Å; I908-H911 PolarHBondContact O-N 3.41Å; H911-E913 WeakPolarHBondContact CA-OE1 3.25Å; H911-E913 WeakPolarHBondContact CA-OE2 3.18Å; H911-E913 IonicContact CG-OE1 2.72Å; H911-E913 IonicContact ND1-OE1 3.17Å; H911-E913 PolarHBondContact ND1-OE1 3.08Å; H911-E913 PolarHBondContact O-N 3.12Å; H911-I914 HydrophobicContact CB-CB 4.38Å; H911-I914 HydrophobicContact CB-CD1 4.17Å; H911-I914 HydrophobicContact CB-CG1 4.37Å; H911-I914 PolarHBondContact O-N 3.36Å; H911-G915 PolarHBondContact O-N 3.12Å
912	I	88.8	Confident	93.3	Very high	34 Å²	34	29.7 Å²	29.7	17%	0.174	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.6	-174.6	-162.8	63.6	0	0	0	111.9	L870 Y871 I908 I914 G915	L870-I912 HydrophobicContact CD2-CG1 3.84Å; L870-I912 HydrophobicContact CG-CD1 4.09Å; L870-I912 HydrophobicContact CG-CG1 3.94Å; Y871-I912 HydrophobicContact CD2-CD1 4.19Å; I908-I912 HydrophobicContact CG2-CD1 4.05Å; I908-I912 VanDerWaalsContact O-CA 3.27Å; I908-I912 WeakPolarHBondContact O-CA 3.42Å; I908-I912 PolarHBondContact O-N 2.86Å; I912-I914 VanDerWaalsContact C-N 3.33Å; I912-G915 PolarHBondContact O-N 2.82Å
913	E	86.7	Confident	93.4	Very high	135 Å²	135	28.6 Å²	28.6	63%	0.631	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-23.8	172.8	74.6	-66.8	161.3	0	0	114.1	H911	H911-E913 WeakPolarHBondContact CA-OE1 3.25Å; H911-E913 WeakPolarHBondContact CA-OE2 3.18Å; H911-E913 IonicContact CG-OE1 2.72Å; H911-E913 IonicContact ND1-OE1 3.17Å; H911-E913 PolarHBondContact ND1-OE1 3.08Å; H911-E913 PolarHBondContact O-N 3.12Å
914	I	88.4	Confident	93.5	Very high	53 Å²	53	28.6 Å²	28.6	27%	0.272	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-38.4	172.8	-56.7	-179.5	0	0	0	109.7	H911 I912	H911-I914 HydrophobicContact CB-CB 4.38Å; H911-I914 HydrophobicContact CB-CD1 4.17Å; H911-I914 HydrophobicContact CB-CG1 4.37Å; H911-I914 PolarHBondContact O-N 3.36Å; I912-I914 VanDerWaalsContact C-N 3.33Å
915	G	90.6	Very high	93.6	Very high	8 Å²	8	28.6 Å²	28.6	8%	0.082	14%	0.141	C	C	.	.			trans	69.1	176.5	-177.6	0	0	0	0	0	113.4	I908 H911 I912	I908-G915 VanDerWaalsContact CD1-C 3.42Å; I908-G915 VanDerWaalsContact CD1-O 3.29Å; I908-G915 WeakPolarHBondContact CD1-O 3.11Å; H911-G915 PolarHBondContact O-N 3.12Å; I912-G915 PolarHBondContact O-N 2.82Å
916	Y	94.4	Very high	93.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	14%	0.138	C	C	.	.			trans	-78.5	141.1	177.7	-176.4	-99.2	0	0	0	110.8	N874 R877 I878 D881 M904 I908 M920 C921	N874-Y916 WeakPolarHBondContact OD1-CB 3.23Å; N874-Y916 PolarHBondContact OD1-N 3.46Å; R877-Y916 HydrophobicContact CB-CD1 3.76Å; R877-Y916 HydrophobicContact CB-CE1 4.36Å; R877-Y916 PolarHBondContact NH1-O 3.43Å; R877-Y916 PolarHBondContact NH2-O 3.46Å; I878-Y916 HydrophobicContact CD1-CD2 4.37Å; I878-Y916 HydrophobicContact CG1-CD2 3.46Å; I878-Y916 VanDerWaalsContact CG1-CD2 3.46Å; I878-Y916 HydrophobicContact CG1-CE2 3.9Å; I878-Y916 HydrophobicContact CG1-CG 3.82Å; D881-Y916 HydrophobicContact CB-CE1 4.25Å; D881-Y916 WeakPolarHBondContact CB-OH 3.38Å; D881-Y916 VanDerWaalsContact CG-OH 3.26Å; D881-Y916 WeakPolarHBondContact OD2-CE1 3.42Å; D881-Y916 PolarHBondContact OD2-OH 2.75Å; M904-Y916 HydrophobicContact SD-CE2 4.17Å; I908-Y916 HydrophobicContact CG1-CD2 4.36Å; Y916-M920 HydrophobicContact CD2-CB 4.35Å; Y916-M920 HydrophobicContact CD2-SD 4.18Å; Y916-M920 HydrophobicContact CE2-CB 3.77Å; Y916-C921 PolarHBondContact OH-SG 3.3Å
917	V	93.6	Very high	93.9	Very high	23 Å²	23	27.5 Å²	27.5	14%	0.139	13%	0.133	C	C	.	.			trans	-131.3	136.5	171.3	-164.4	0	0	0	0	109.6	G919 M920 F952	V917-G919 PolarHBondContact O-N 3.01Å; V917-M920 HydrophobicContact CB-SD 4.28Å; V917-M920 PolarHBondContact N-SD 2.91Å; V917-M920 WeakPolarHBondContact O-CB 3.5Å; V917-M920 VanDerWaalsContact O-CG 3.26Å; V917-M920 WeakPolarHBondContact O-CG 3.11Å; V917-M920 PolarHBondContact O-N 2.68Å; V917-M920 VanDerWaalsContact O-N 3.11Å; V917-F952 HydrophobicContact CB-CD1 3.66Å; V917-F952 HydrophobicContact CB-CE1 3.91Å; V917-F952 HydrophobicContact CB-CG 4.38Å; V917-F952 HydrophobicContact CG1-CD1 3.45Å; V917-F952 VanDerWaalsContact CG1-CD1 3.45Å; V917-F952 HydrophobicContact CG1-CE1 3.94Å; V917-F952 HydrophobicContact CG1-CG 4.39Å; V917-F952 HydrophobicContact CG2-CD1 4.27Å
918	Q	92.4	Very high	94	Very high	119 Å²	119	27.4 Å²	27.4	56%	0.556	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	132.6	179.6	175.1	175.3	-38.9	0	0	110.3	D881	D881-Q918 WeakPolarHBondContact OD2-CA 3.16Å
919	G	94.1	Very high	94.1	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-10.2	-174.5	0	0	0	0	0	114.8	V917 C921 D922 L923	V917-G919 PolarHBondContact O-N 3.01Å; G919-C921 VanDerWaalsContact C-N 3.3Å; G919-C921 PolarHBondContact O-N 3.43Å; G919-D922 WeakPolarHBondContact O-CB 3.37Å; G919-D922 PolarHBondContact O-N 3.47Å; G919-D922 VanDerWaalsContact O-N 3.1Å; G919-L923 PolarHBondContact O-N 3.29Å; G919-L923 VanDerWaalsContact O-N 3.15Å
920	M	96.6	Very high	94.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-36.4	171.1	-75.1	175.9	64.8	0	0	112.7	M904 Y907 I908 Y916 V917 D922 L923 L924 F941 M945 F952	M904-M920 HydrophobicContact SD-CB 4.04Å; Y907-M920 HydrophobicContact CD1-CE 3.57Å; Y907-M920 HydrophobicContact CE1-CE 3.42Å; Y907-M920 VanDerWaalsContact CE1-CE 3.42Å; I908-M920 HydrophobicContact CD1-CE 3.81Å; I908-M920 HydrophobicContact CD1-SD 4.44Å; Y916-M920 HydrophobicContact CD2-CB 4.35Å; Y916-M920 HydrophobicContact CD2-SD 4.18Å; Y916-M920 HydrophobicContact CE2-CB 3.77Å; V917-M920 HydrophobicContact CB-SD 4.28Å; V917-M920 PolarHBondContact N-SD 2.91Å; V917-M920 WeakPolarHBondContact O-CB 3.5Å; V917-M920 VanDerWaalsContact O-CG 3.26Å; V917-M920 WeakPolarHBondContact O-CG 3.11Å; V917-M920 PolarHBondContact O-N 2.68Å; V917-M920 VanDerWaalsContact O-N 3.11Å; M920-D922 VanDerWaalsContact C-N 3.27Å; M920-D922 PolarHBondContact O-N 2.63Å; M920-L923 PolarHBondContact O-N 2.95Å; M920-L924 PolarHBondContact O-N 3.49Å; M920-F941 HydrophobicContact CB-CZ 4.3Å; M920-F941 HydrophobicContact CE-CE1 4.12Å; M920-F941 HydrophobicContact CE-CZ 3.98Å; M920-M945 HydrophobicContact CE-CE 4.04Å; M920-M945 HydrophobicContact CG-CE 4Å; M920-M945 HydrophobicContact SD-CE 4.26Å; M920-F952 HydrophobicContact CG-CE1 4.32Å; M920-F952 HydrophobicContact CG-CE2 4.39Å; M920-F952 HydrophobicContact CG-CZ 3.84Å
921	C	96.3	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-38.4	171.4	-68.8	0	0	0	0	112	D881 C885 L900 Y916 G919 L923 L924 A925	D881-C921 HydrophobicContact CB-CB 4.45Å; C885-C921 HydrophobicContact CB-CB 4.42Å; L900-C921 HydrophobicContact CD2-CB 4.39Å; Y916-C921 PolarHBondContact OH-SG 3.3Å; G919-C921 VanDerWaalsContact C-N 3.3Å; G919-C921 PolarHBondContact O-N 3.43Å; C921-L923 VanDerWaalsContact C-N 3.3Å; C921-L923 PolarHBondContact O-N 2.84Å; C921-L924 PolarHBondContact O-N 2.95Å; C921-A925 WeakPolarHBondContact O-CB 3.36Å; C921-A925 PolarHBondContact O-N 3.44Å
922	D	97	Very high	95	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-32.9	179.4	-56.2	-4.7	0	0	0	111.6	G919 M920 P926 L998 K1001 R1002	G919-D922 WeakPolarHBondContact O-CB 3.37Å; G919-D922 PolarHBondContact O-N 3.47Å; G919-D922 VanDerWaalsContact O-N 3.1Å; M920-D922 VanDerWaalsContact C-N 3.27Å; M920-D922 PolarHBondContact O-N 2.63Å; D922-P926 WeakPolarHBondContact O-CD 3.37Å; D922-L998 HydrophobicContact CB-CD2 4.42Å; D922-K1001 HydrophobicContact CB-CG 4.16Å; D922-R1002 IonicContact OD1-CZ 2.71Å; D922-R1002 IonicContact OD1-NH2 3.31Å; D922-R1002 PolarHBondContact OD1-NH2 3.16Å; D922-R1002 IonicContact OD2-CZ 3.73Å; D922-R1002 VanDerWaalsContact OD2-CZ 3.26Å; D922-R1002 IonicContact OD2-NE 3.48Å; D922-R1002 PolarHBondContact OD2-NE 2.86Å; D922-R1002 IonicContact OD2-NH2 3.48Å; D922-R1002 PolarHBondContact OD2-NH2 3.03Å
923	L	98.1	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-74.9	-31	173.8	-68.9	176.2	0	0	0	112.8	G919 M920 C921 F941 L944 M945 M948 F952 W1013	G919-L923 PolarHBondContact O-N 3.29Å; G919-L923 VanDerWaalsContact O-N 3.15Å; M920-L923 PolarHBondContact O-N 2.95Å; C921-L923 VanDerWaalsContact C-N 3.3Å; C921-L923 PolarHBondContact O-N 2.84Å; L923-F941 HydrophobicContact CB-CE2 4.04Å; L923-L944 HydrophobicContact CB-CD2 4.39Å; L923-M945 HydrophobicContact CD1-SD 3.96Å; L923-M948 HydrophobicContact CD1-CB 3.85Å; L923-M948 HydrophobicContact CD1-CE 4.37Å; L923-M948 HydrophobicContact CD1-CG 4Å; L923-M948 HydrophobicContact CD2-CE 4.07Å; L923-M948 HydrophobicContact CD2-CG 4.49Å; L923-F952 HydrophobicContact CD1-CE2 4Å; L923-F952 HydrophobicContact CD1-CZ 3.84Å; L923-W1013 HydrophobicContact CD2-CH2 4.15Å; L923-W1013 HydrophobicContact CD2-CZ2 3.99Å; L923-W1013 WeakPolarHBondContact O-CH2 3.32Å
924	L	98.3	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-76.6	-36	174.6	177.4	62.3	0	0	0	112.5	L900 I903 M904 M920 C921 L927 L928 F941	L900-L924 HydrophobicContact CD1-CB 4.09Å; L900-L924 HydrophobicContact CD1-CD2 3.49Å; L900-L924 VanDerWaalsContact CD1-CD2 3.49Å; L900-L924 HydrophobicContact CD1-CG 3.64Å; L900-L924 HydrophobicContact CG-CD2 4.09Å; I903-L924 HydrophobicContact CB-CD2 3.69Å; I903-L924 HydrophobicContact CD1-CD1 4.21Å; I903-L924 HydrophobicContact CD1-CD2 4.18Å; I903-L924 HydrophobicContact CG2-CD1 3.77Å; I903-L924 HydrophobicContact CG2-CD2 3.57Å; I903-L924 HydrophobicContact CG2-CG 4.35Å; M904-L924 HydrophobicContact CE-CB 4.08Å; M904-L924 HydrophobicContact CE-CD2 3.68Å; M904-L924 HydrophobicContact CE-CG 4.4Å; M904-L924 HydrophobicContact CG-CD2 4.02Å; M904-L924 HydrophobicContact SD-CD2 4.28Å; M920-L924 PolarHBondContact O-N 3.49Å; C921-L924 PolarHBondContact O-N 2.95Å; L924-L927 HydrophobicContact CD1-CB 4.47Å; L924-L927 WeakPolarHBondContact O-CB 3.37Å; L924-L927 PolarHBondContact O-N 3.1Å; L924-L928 PolarHBondContact O-N 2.92Å; L924-F941 HydrophobicContact CB-CD2 3.75Å; L924-F941 HydrophobicContact CB-CE2 3.85Å; L924-F941 HydrophobicContact CD1-CB 3.9Å; L924-F941 HydrophobicContact CD1-CD2 3.95Å; L924-F941 HydrophobicContact CD1-CG 4.04Å; L924-F941 HydrophobicContact CG-CD2 4.42Å
925	A	97.9	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.1	-47.3	-169.9	0	0	0	0	0	114.2	F892 C921 L927 L928 V929 Y1006	F892-A925 HydrophobicContact CE1-CB 4.39Å; F892-A925 HydrophobicContact CE2-CB 4.19Å; F892-A925 HydrophobicContact CZ-CB 3.6Å; C921-A925 WeakPolarHBondContact O-CB 3.36Å; C921-A925 PolarHBondContact O-N 3.44Å; A925-L927 PolarHBondContact O-N 2.82Å; A925-L928 PolarHBondContact O-N 2.87Å; A925-V929 VanDerWaalsContact O-CG2 3.25Å; A925-V929 WeakPolarHBondContact O-CG2 3.4Å; A925-V929 PolarHBondContact O-N 3.46Å; A925-Y1006 WeakPolarHBondContact CB-OH 3.34Å
926	P	98.1	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-38.8	174.1	-24.9	35.8	0	0	0	114.3	W627 D922 L928 V929 I930 K1001 Y1006 V1009 F1010 W1013	W627-P926 HydrophobicContact CH2-CB 4.33Å; W627-P926 HydrophobicContact CZ3-CB 4.5Å; D922-P926 WeakPolarHBondContact O-CD 3.37Å; P926-L928 VanDerWaalsContact C-N 3.34Å; P926-V929 PolarHBondContact O-N 3.36Å; P926-I930 PolarHBondContact O-N 2.87Å; P926-I930 VanDerWaalsContact O-N 3.1Å; P926-K1001 HydrophobicContact CG-CD 3.63Å; P926-Y1006 HydrophobicContact CB-CE1 4.41Å; P926-Y1006 HydrophobicContact CG-CE1 4.17Å; P926-V1009 HydrophobicContact CB-CG1 4.45Å; P926-V1009 HydrophobicContact CG-CG1 4.05Å; P926-F1010 HydrophobicContact CB-CD1 4.38Å; P926-F1010 HydrophobicContact CB-CE1 4.02Å; P926-W1013 HydrophobicContact CB-CE3 4.1Å; P926-W1013 HydrophobicContact CB-CH2 4.03Å; P926-W1013 HydrophobicContact CB-CZ3 3.67Å; P926-W1013 HydrophobicContact CG-CE3 4.46Å; P926-W1013 HydrophobicContact CG-CH2 3.62Å; P926-W1013 HydrophobicContact CG-CZ2 4.12Å; P926-W1013 HydrophobicContact CG-CZ3 3.82Å
927	L	98.1	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-45.3	176.6	-58.6	-179.6	0	0	0	110.2	W627 L631 L924 A925 I930 L931 C940 F941 L944 W1013 W1017	W627-L927 HydrophobicContact CE3-CD2 3.86Å; W627-L927 HydrophobicContact CZ3-CD2 3.81Å; L631-L927 HydrophobicContact CD1-CD2 3.67Å; L924-L927 HydrophobicContact CD1-CB 4.47Å; L924-L927 WeakPolarHBondContact O-CB 3.37Å; L924-L927 PolarHBondContact O-N 3.1Å; A925-L927 PolarHBondContact O-N 2.82Å; L927-I930 PolarHBondContact O-N 3.46Å; L927-L931 HydrophobicContact CB-CD1 4.25Å; L927-L931 WeakPolarHBondContact O-CB 3.48Å; L927-L931 WeakPolarHBondContact O-CD1 3.49Å; L927-L931 WeakPolarHBondContact O-CG 3.16Å; L927-L931 PolarHBondContact O-N 2.89Å; L927-C940 HydrophobicContact CD1-CB 4.33Å; L927-F941 HydrophobicContact CD1-CB 3.8Å; L927-F941 HydrophobicContact CD1-CD2 4.14Å; L927-F941 HydrophobicContact CD1-CG 4.49Å; L927-L944 HydrophobicContact CD1-CB 4.48Å; L927-L944 HydrophobicContact CD1-CD2 3.88Å; L927-L944 HydrophobicContact CG-CD2 4.38Å; L927-W1013 HydrophobicContact CD2-CZ3 4.33Å; L927-W1013 HydrophobicContact CG-CZ3 4.42Å; L927-W1017 HydrophobicContact CD2-CH2 4.23Å
928	L	97.7	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.1	-38.4	-179.6	-171.7	59.6	0	0	0	112.2	Y891 F892 K899 L900 I903 L924 A925 P926 D932 A937	Y891-L928 HydrophobicContact CE1-CD2 4.35Å; Y891-L928 HydrophobicContact CE1-CG 3.94Å; Y891-L928 PolarHBondContact OH-O 2.69Å; F892-L928 HydrophobicContact CE1-CD2 4.49Å; K899-L928 HydrophobicContact CB-CD1 4.21Å; K899-L928 HydrophobicContact CB-CD2 3.95Å; K899-L928 HydrophobicContact CD-CD1 4.3Å; L900-L928 HydrophobicContact CB-CD2 3.96Å; L900-L928 HydrophobicContact CD1-CD2 3.83Å; I903-L928 HydrophobicContact CD1-CD1 3.91Å; L924-L928 PolarHBondContact O-N 2.92Å; A925-L928 PolarHBondContact O-N 2.87Å; P926-L928 VanDerWaalsContact C-N 3.34Å; L928-D932 WeakPolarHBondContact O-CA 2.95Å; L928-D932 PolarHBondContact O-N 2.79Å; L928-A937 HydrophobicContact CD1-CB 4.1Å
929	V	97.8	Very high	96	Very high	18 Å²	18	15.9 Å²	15.9	11%	0.109	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-41.5	176.1	170.3	0	0	0	0	112.4	Y889 Y891 F892 A925 P926 Y1006 F1010	Y889-V929 HydrophobicContact CD1-CG2 4.32Å; Y889-V929 HydrophobicContact CE1-CG1 3.85Å; Y889-V929 HydrophobicContact CE1-CG2 3.88Å; Y891-V929 HydrophobicContact CD1-CB 4.36Å; Y891-V929 HydrophobicContact CD1-CG2 3.5Å; Y891-V929 VanDerWaalsContact CD1-CG2 3.5Å; Y891-V929 HydrophobicContact CE1-CG2 4.08Å; Y891-V929 HydrophobicContact CG-CB 4.46Å; Y891-V929 HydrophobicContact CG-CG2 3.82Å; F892-V929 HydrophobicContact CE2-CG2 3.7Å; F892-V929 HydrophobicContact CZ-CG2 3.66Å; A925-V929 VanDerWaalsContact O-CG2 3.25Å; A925-V929 WeakPolarHBondContact O-CG2 3.4Å; A925-V929 PolarHBondContact O-N 3.46Å; P926-V929 PolarHBondContact O-N 3.36Å; V929-Y1006 HydrophobicContact CB-CE1 4.43Å; V929-Y1006 HydrophobicContact CG2-CE1 3.97Å; V929-F1010 HydrophobicContact CG1-CZ 3.85Å
930	I	97.6	Very high	96.1	Very high	28 Å²	28	15.8 Å²	15.8	14%	0.144	9%	0.086	C	C	.	.	H	α-helix	trans	-80.8	-39.7	-179.7	-72.2	-61.2	0	0	0	112.4	R623 K624 W627 P926 L927 F1010	R623-I930 HydrophobicContact CB-CD1 4.25Å; R623-I930 HydrophobicContact CB-CG2 3.74Å; K624-I930 HydrophobicContact CB-CG2 4.49Å; K624-I930 WeakPolarHBondContact CB-O 2.96Å; W627-I930 HydrophobicContact CD2-CB 4.4Å; W627-I930 HydrophobicContact CD2-CG2 3.82Å; W627-I930 HydrophobicContact CE3-CB 3.93Å; W627-I930 HydrophobicContact CE3-CG1 4.27Å; W627-I930 HydrophobicContact CE3-CG2 3.77Å; W627-I930 HydrophobicContact CG-CG2 4.31Å; W627-I930 HydrophobicContact CH2-CB 4.19Å; W627-I930 HydrophobicContact CH2-CG1 3.64Å; W627-I930 HydrophobicContact CZ2-CG1 3.92Å; W627-I930 HydrophobicContact CZ3-CB 3.81Å; W627-I930 HydrophobicContact CZ3-CG1 3.79Å; W627-I930 HydrophobicContact CZ3-CG2 4.15Å; P926-I930 PolarHBondContact O-N 2.87Å; P926-I930 VanDerWaalsContact O-N 3.1Å; L927-I930 PolarHBondContact O-N 3.46Å; I930-F1010 HydrophobicContact CD1-CD1 4.32Å; I930-F1010 HydrophobicContact CD1-CD2 4.03Å; I930-F1010 HydrophobicContact CD1-CE1 3.96Å; I930-F1010 HydrophobicContact CD1-CE2 3.68Å; I930-F1010 HydrophobicContact CD1-CG 4.33Å; I930-F1010 HydrophobicContact CD1-CZ 3.63Å; I930-F1010 HydrophobicContact CG1-CD1 3.96Å; I930-F1010 HydrophobicContact CG1-CE1 3.55Å; I930-F1010 HydrophobicContact CG1-CE2 4.24Å; I930-F1010 HydrophobicContact CG1-CG 4.42Å; I930-F1010 HydrophobicContact CG1-CZ 3.71Å
931	L	96.4	Very high	96.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-86	-32.8	-172.4	-61.2	168.8	0	0	0	112.5	K624 P628 L927 D933 L936 A937 C940	K624-L931 WeakPolarHBondContact CD-O 3.46Å; K624-L931 WeakPolarHBondContact CE-O 3.19Å; K624-L931 HydrophobicContact CG-CD2 4.42Å; K624-L931 PolarHBondContact NZ-O 2.85Å; P628-L931 HydrophobicContact CG-CD2 4.15Å; L927-L931 HydrophobicContact CB-CD1 4.25Å; L927-L931 WeakPolarHBondContact O-CB 3.48Å; L927-L931 WeakPolarHBondContact O-CD1 3.49Å; L927-L931 WeakPolarHBondContact O-CG 3.16Å; L927-L931 PolarHBondContact O-N 2.89Å; L931-D933 PolarHBondContact O-N 3.03Å; L931-L936 HydrophobicContact CD1-CG 4.39Å; L931-L936 HydrophobicContact CD2-CD2 3.94Å; L931-L936 HydrophobicContact CD2-CG 4.25Å; L931-A937 HydrophobicContact CB-CB 4.4Å; L931-A937 HydrophobicContact CD1-CB 4.12Å; L931-C940 HydrophobicContact CD1-CB 3.82Å
932	D	95.4	Very high	96.2	Very high	77 Å²	77	16.8 Å²	16.8	41%	0.412	9%	0.092	S	C	.	.			trans	36.6	41	-173.6	-167.5	22.9	0	0	0	113.8	Y891 K899 L928	Y891-D932 HydrophobicContact CE2-CB 4.37Å; Y891-D932 PolarHBondContact OH-OD1 2.95Å; Y891-D932 VanDerWaalsContact OH-OD1 3.07Å; K899-D932 IonicContact NZ-OD1 3.2Å; K899-D932 PolarHBondContact NZ-OD1 3.32Å; L928-D932 WeakPolarHBondContact O-CA 2.95Å; L928-D932 PolarHBondContact O-N 2.79Å
933	D	93.8	Very high	96.1	Very high	73 Å²	73	18.5 Å²	18.5	39%	0.39	10%	0.1	S	C	.	.			trans	-144	120.4	175	-179.3	-65.8	0	0	0	106.6	L931 A935 L936 A937	L931-D933 PolarHBondContact O-N 3.03Å; D933-A935 VanDerWaalsContact C-N 3.34Å; D933-A935 PolarHBondContact O-N 2.86Å; D933-A935 PolarHBondContact OD1-N 2.65Å; D933-L936 HydrophobicContact CB-CB 4.03Å; D933-L936 PolarHBondContact OD1-N 2.94Å; D933-A937 WeakPolarHBondContact O-CB 3.18Å; D933-A937 PolarHBondContact O-N 2.61Å
934	E	93.6	Very high	96	Very high	33 Å²	33	18.6 Å²	18.6	15%	0.154	10%	0.1	C	C	.	.	H	α-helix	trans	-72.9	-27.1	-168.9	-162.1	-171.1	-174.7	0	0	112.5	R654 K899 N902 I903 F938	R654-E934 IonicContact CZ-OE1 2.64Å; R654-E934 IonicContact CZ-OE2 3.18Å; R654-E934 IonicContact NH1-OE1 3.46Å; R654-E934 IonicContact NH1-OE2 2.93Å; R654-E934 PolarHBondContact NH1-OE2 3.26Å; R654-E934 IonicContact NH2-OE1 3.61Å; R654-E934 PolarHBondContact NH2-OE1 3Å; R654-E934 IonicContact NH2-OE2 3.8Å; R654-E934 PolarHBondContact NH2-OE2 2.98Å; K899-E934 HydrophobicContact CB-CG 4.22Å; K899-E934 HydrophobicContact CG-CG 4.35Å; N902-E934 WeakPolarHBondContact CB-OE1 2.86Å; N902-E934 PolarHBondContact ND2-OE1 2.95Å; I903-E934 HydrophobicContact CD1-CG 3.91Å; I903-E934 HydrophobicContact CG1-CG 3.69Å; E934-F938 WeakPolarHBondContact O-CB 3.04Å; E934-F938 PolarHBondContact O-N 3.4Å
935	A	90.6	Very high	95.9	Very high	21 Å²	21	18.6 Å²	18.6	17%	0.174	10%	0.1	C	C	.	.	H	α-helix	trans	-82.5	-43.6	177.5	0	0	0	0	0	111.2	D933 F938 S939	D933-A935 VanDerWaalsContact C-N 3.34Å; D933-A935 PolarHBondContact O-N 2.86Å; D933-A935 PolarHBondContact OD1-N 2.65Å; A935-F938 PolarHBondContact O-N 2.78Å; A935-S939 PolarHBondContact O-N 3.16Å; A935-S939 PolarHBondContact O-OG 2.92Å
936	L	92.6	Very high	95.7	Very high	26 Å²	26	24.7 Å²	24.7	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-68	-39.7	176.8	-173.9	60.4	0	0	0	111.4	P628 L931 D933 S939 C940	P628-L936 HydrophobicContact CB-CD1 4.26Å; P628-L936 HydrophobicContact CG-CD1 4Å; P628-L936 HydrophobicContact CG-CD2 4.13Å; P628-L936 HydrophobicContact CG-CG 4.29Å; L931-L936 HydrophobicContact CD1-CG 4.39Å; L931-L936 HydrophobicContact CD2-CD2 3.94Å; L931-L936 HydrophobicContact CD2-CG 4.25Å; D933-L936 HydrophobicContact CB-CB 4.03Å; D933-L936 PolarHBondContact OD1-N 2.94Å; L936-S939 PolarHBondContact O-N 3.37Å; L936-C940 VanDerWaalsContact O-CB 3.3Å; L936-C940 WeakPolarHBondContact O-CB 3.48Å; L936-C940 PolarHBondContact O-N 3.43Å; L936-C940 PolarHBondContact O-SG 3.34Å
937	A	96.6	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-39.7	173.8	0	0	0	0	0	112.2	I903 L928 L931 D933 F941	I903-A937 HydrophobicContact CD1-CB 3.92Å; L928-A937 HydrophobicContact CD1-CB 4.1Å; L931-A937 HydrophobicContact CB-CB 4.4Å; L931-A937 HydrophobicContact CD1-CB 4.12Å; D933-A937 WeakPolarHBondContact O-CB 3.18Å; D933-A937 PolarHBondContact O-N 2.61Å; A937-F941 WeakPolarHBondContact O-CB 3.28Å; A937-F941 PolarHBondContact O-N 3.19Å
938	F	95.9	Very high	95.2	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-52.8	170.5	169	-93.1	0	0	0	111.6	I903 E934 A935 C940 F941 T942	I903-F938 HydrophobicContact CG1-CB 4.4Å; I903-F938 HydrophobicContact CG2-CB 3.99Å; I903-F938 HydrophobicContact CG2-CD2 4.15Å; E934-F938 WeakPolarHBondContact O-CB 3.04Å; E934-F938 PolarHBondContact O-N 3.4Å; A935-F938 PolarHBondContact O-N 2.78Å; F938-C940 PolarHBondContact O-N 3.36Å; F938-F941 PolarHBondContact O-N 2.71Å; F938-T942 PolarHBondContact O-N 2.89Å; F938-T942 PolarHBondContact O-OG1 3.19Å
939	S	94	Very high	95	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-39.6	-178.6	-66.2	0	0	0	0	112.9	A935 L936 T942 E943	A935-S939 PolarHBondContact O-N 3.16Å; A935-S939 PolarHBondContact O-OG 2.92Å; L936-S939 PolarHBondContact O-N 3.37Å; S939-T942 PolarHBondContact O-N 3.44Å; S939-E943 PolarHBondContact O-N 2.89Å
940	C	96.8	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-36.5	174.5	-69.1	0	0	0	0	112.4	L631 L927 L931 L936 F938 E943 L944	L631-C940 HydrophobicContact CD1-CB 3.71Å; L927-C940 HydrophobicContact CD1-CB 4.33Å; L931-C940 HydrophobicContact CD1-CB 3.82Å; L936-C940 VanDerWaalsContact O-CB 3.3Å; L936-C940 WeakPolarHBondContact O-CB 3.48Å; L936-C940 PolarHBondContact O-N 3.43Å; L936-C940 PolarHBondContact O-SG 3.34Å; F938-C940 PolarHBondContact O-N 3.36Å; C940-E943 PolarHBondContact O-N 2.94Å; C940-L944 WeakPolarHBondContact O-CB 3.29Å; C940-L944 PolarHBondContact O-N 3.24Å
941	F	97.7	Very high	94.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-42.7	175.6	-178.5	-97.5	0	0	0	111.7	M904 Y907 M920 L923 L924 L927 A937 F938 E943 L944 M945	M904-F941 HydrophobicContact CE-CD1 3.78Å; M904-F941 HydrophobicContact CE-CD2 4.32Å; M904-F941 HydrophobicContact CE-CE1 3.25Å; M904-F941 HydrophobicContact CE-CE2 3.86Å; M904-F941 HydrophobicContact CE-CG 4.28Å; M904-F941 HydrophobicContact CE-CZ 3.29Å; M904-F941 HydrophobicContact SD-CZ 4.29Å; Y907-F941 AromaticContact CD1-CE1 3.9Å; Y907-F941 HydrophobicContact CD1-CE1 3.9Å; Y907-F941 AromaticContact CD2-CD1 3.72Å; Y907-F941 HydrophobicContact CD2-CD1 3.72Å; Y907-F941 AromaticContact CD2-CE1 3.74Å; Y907-F941 HydrophobicContact CD2-CE1 3.74Å; Y907-F941 HydrophobicContact CE1-CE1 4.22Å; Y907-F941 HydrophobicContact CE2-CD1 4.21Å; Y907-F941 HydrophobicContact CE2-CE1 4.05Å; Y907-F941 AromaticContact CG-CD1 3.97Å; Y907-F941 HydrophobicContact CG-CD1 3.97Å; Y907-F941 AromaticContact CG-CE1 3.67Å; Y907-F941 HydrophobicContact CG-CE1 3.67Å; M920-F941 HydrophobicContact CB-CZ 4.3Å; M920-F941 HydrophobicContact CE-CE1 4.12Å; M920-F941 HydrophobicContact CE-CZ 3.98Å; L923-F941 HydrophobicContact CB-CE2 4.04Å; L924-F941 HydrophobicContact CB-CD2 3.75Å; L924-F941 HydrophobicContact CB-CE2 3.85Å; L924-F941 HydrophobicContact CD1-CB 3.9Å; L924-F941 HydrophobicContact CD1-CD2 3.95Å; L924-F941 HydrophobicContact CD1-CG 4.04Å; L924-F941 HydrophobicContact CG-CD2 4.42Å; L927-F941 HydrophobicContact CD1-CB 3.8Å; L927-F941 HydrophobicContact CD1-CD2 4.14Å; L927-F941 HydrophobicContact CD1-CG 4.49Å; A937-F941 WeakPolarHBondContact O-CB 3.28Å; A937-F941 PolarHBondContact O-N 3.19Å; F938-F941 PolarHBondContact O-N 2.71Å; F941-E943 VanDerWaalsContact C-N 3.3Å; F941-E943 PolarHBondContact O-N 2.98Å; F941-L944 WeakPolarHBondContact O-CB 3.3Å; F941-L944 PolarHBondContact O-N 3.11Å; F941-L944 VanDerWaalsContact O-N 3.15Å; F941-M945 HydrophobicContact CD1-CG 3.84Å; F941-M945 HydrophobicContact CD2-CG 4.3Å; F941-M945 HydrophobicContact CE1-CG 3.34Å; F941-M945 HydrophobicContact CE1-SD 4.06Å; F941-M945 HydrophobicContact CE2-CG 3.87Å; F941-M945 HydrophobicContact CE2-SD 3.77Å; F941-M945 HydrophobicContact CG-CG 4.29Å; F941-M945 HydrophobicContact CZ-CE 4.43Å; F941-M945 HydrophobicContact CZ-CG 3.36Å; F941-M945 HydrophobicContact CZ-SD 3.43Å; F941-M945 WeakPolarHBondContact CZ-SD 3.39Å; F941-M945 WeakPolarHBondContact O-CG 3.18Å; F941-M945 PolarHBondContact O-N 3.03Å
942	T	95.6	Very high	94.1	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-39.8	176	-59.6	0	0	0	0	112	Y907 F938 S939 K946	Y907-T942 HydrophobicContact CE2-CG2 4.49Å; F938-T942 PolarHBondContact O-N 2.89Å; F938-T942 PolarHBondContact O-OG1 3.19Å; S939-T942 PolarHBondContact O-N 3.44Å; T942-K946 PolarHBondContact O-N 2.76Å
943	E	95.5	Very high	93.5	Very high	55 Å²	55	34.2 Å²	34.2	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-68.7	-41.6	172.8	-62.7	-53.3	135.3	0	0	112.9	L631 H633 S939 C940 F941 M945 K946	L631-E943 HydrophobicContact CB-CB 4.46Å; L631-E943 VanDerWaalsContact O-CB 3.26Å; L631-E943 WeakPolarHBondContact O-CB 3.43Å; H633-E943 HydrophobicContact CB-CG 4.35Å; S939-E943 PolarHBondContact O-N 2.89Å; C940-E943 PolarHBondContact O-N 2.94Å; F941-E943 VanDerWaalsContact C-N 3.3Å; F941-E943 PolarHBondContact O-N 2.98Å; E943-M945 VanDerWaalsContact C-N 3.33Å; E943-M945 PolarHBondContact O-N 2.92Å; E943-K946 WeakPolarHBondContact O-CB 3.49Å; E943-K946 PolarHBondContact O-N 2.77Å; E943-K946 WeakPolarHBondContact OE1-CE 3.34Å; E943-K946 IonicContact OE1-NZ 3.47Å; E943-K946 PolarHBondContact OE1-NZ 2.95Å; E943-K946 WeakPolarHBondContact OE2-CD 3.31Å; E943-K946 WeakPolarHBondContact OE2-CE 3.49Å; E943-K946 IonicContact OE2-NZ 3.59Å; E943-K946 PolarHBondContact OE2-NZ 3.13Å
944	L	96.8	Very high	92.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-44	175.3	177.1	59.7	0	0	0	111.7	L631 L923 L927 C940 F941 K946 R947 M948 W1013	L631-L944 HydrophobicContact CD2-CB 4.15Å; L631-L944 HydrophobicContact CD2-CD1 4.27Å; L923-L944 HydrophobicContact CB-CD2 4.39Å; L927-L944 HydrophobicContact CD1-CB 4.48Å; L927-L944 HydrophobicContact CD1-CD2 3.88Å; L927-L944 HydrophobicContact CG-CD2 4.38Å; C940-L944 WeakPolarHBondContact O-CB 3.29Å; C940-L944 PolarHBondContact O-N 3.24Å; F941-L944 WeakPolarHBondContact O-CB 3.3Å; F941-L944 PolarHBondContact O-N 3.11Å; F941-L944 VanDerWaalsContact O-N 3.15Å; L944-K946 VanDerWaalsContact C-N 3.3Å; L944-K946 PolarHBondContact O-N 2.94Å; L944-R947 WeakPolarHBondContact O-CB 3.43Å; L944-R947 PolarHBondContact O-N 2.6Å; L944-R947 VanDerWaalsContact O-N 3.08Å; L944-M948 HydrophobicContact CD1-CG 3.87Å; L944-M948 HydrophobicContact CG-CG 4.04Å; L944-M948 PolarHBondContact O-N 3.16Å; L944-W1013 HydrophobicContact CD2-CH2 4.23Å; L944-W1013 HydrophobicContact CD2-CZ3 4.08Å
945	M	95.5	Very high	92.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-25.4	-178.8	-68.4	-57	-63	0	0	113.4	Y907 M920 L923 F941 E943 R947 M948 N949 F952	Y907-M945 HydrophobicContact CE2-CB 3.92Å; Y907-M945 HydrophobicContact CE2-CG 4Å; Y907-M945 VanDerWaalsContact OH-CB 3.31Å; Y907-M945 WeakPolarHBondContact OH-CB 3.46Å; M920-M945 HydrophobicContact CE-CE 4.04Å; M920-M945 HydrophobicContact CG-CE 4Å; M920-M945 HydrophobicContact SD-CE 4.26Å; L923-M945 HydrophobicContact CD1-SD 3.96Å; F941-M945 HydrophobicContact CD1-CG 3.84Å; F941-M945 HydrophobicContact CD2-CG 4.3Å; F941-M945 HydrophobicContact CE1-CG 3.34Å; F941-M945 HydrophobicContact CE1-SD 4.06Å; F941-M945 HydrophobicContact CE2-CG 3.87Å; F941-M945 HydrophobicContact CE2-SD 3.77Å; F941-M945 HydrophobicContact CG-CG 4.29Å; F941-M945 HydrophobicContact CZ-CE 4.43Å; F941-M945 HydrophobicContact CZ-CG 3.36Å; F941-M945 HydrophobicContact CZ-SD 3.43Å; F941-M945 WeakPolarHBondContact CZ-SD 3.39Å; F941-M945 WeakPolarHBondContact O-CG 3.18Å; F941-M945 PolarHBondContact O-N 3.03Å; E943-M945 VanDerWaalsContact C-N 3.33Å; E943-M945 PolarHBondContact O-N 2.92Å; M945-R947 PolarHBondContact O-N 2.72Å; M945-R947 VanDerWaalsContact O-N 3.12Å; M945-M948 PolarHBondContact O-N 3Å; M945-M948 VanDerWaalsContact O-N 3.16Å; M945-M948 HydrophobicContact SD-CB 4.1Å; M945-N949 WeakPolarHBondContact CE-OD1 3.47Å; M945-N949 WeakPolarHBondContact O-CB 3.5Å; M945-N949 PolarHBondContact O-N 2.82Å; M945-N949 PolarHBondContact O-ND2 2.7Å; M945-N949 VanDerWaalsContact O-ND2 3.12Å; M945-F952 HydrophobicContact CE-CD2 4.19Å; M945-F952 HydrophobicContact CE-CE2 3.57Å; M945-F952 HydrophobicContact CE-CZ 4.35Å; M945-F952 HydrophobicContact SD-CE2 4.46Å
946	K	93.3	Very high	91.8	Very high	128 Å²	128	38.5 Å²	38.5	56%	0.557	20%	0.203	S	C	*	.	H	α-helix	trans	-57.2	-27.7	170.7	-66.8	174.8	-165.6	172.8	0	112.7	T942 E943 L944	T942-K946 PolarHBondContact O-N 2.76Å; E943-K946 WeakPolarHBondContact O-CB 3.49Å; E943-K946 PolarHBondContact O-N 2.77Å; E943-K946 WeakPolarHBondContact OE1-CE 3.34Å; E943-K946 IonicContact OE1-NZ 3.47Å; E943-K946 PolarHBondContact OE1-NZ 2.95Å; E943-K946 WeakPolarHBondContact OE2-CD 3.31Å; E943-K946 WeakPolarHBondContact OE2-CE 3.49Å; E943-K946 IonicContact OE2-NZ 3.59Å; E943-K946 PolarHBondContact OE2-NZ 3.13Å; L944-K946 VanDerWaalsContact C-N 3.3Å; L944-K946 PolarHBondContact O-N 2.94Å
947	R	92.5	Very high	91.6	Very high	78 Å²	78	38.2 Å²	38.2	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-86.5	-51.4	168.6	-178.3	175.3	61.1	96.2	2.9	111.6	L944 M945 N949 Q950 D999	L944-R947 WeakPolarHBondContact O-CB 3.43Å; L944-R947 PolarHBondContact O-N 2.6Å; L944-R947 VanDerWaalsContact O-N 3.08Å; M945-R947 PolarHBondContact O-N 2.72Å; M945-R947 VanDerWaalsContact O-N 3.12Å; R947-N949 PolarHBondContact O-N 2.76Å; R947-Q950 PolarHBondContact O-N 2.8Å; R947-D999 IonicContact CZ-OD2 2.64Å; R947-D999 IonicContact NH1-OD1 3.25Å; R947-D999 PolarHBondContact NH1-OD1 3.25Å; R947-D999 IonicContact NH1-OD2 3.14Å; R947-D999 PolarHBondContact NH1-OD2 3.04Å; R947-D999 IonicContact NH2-OD2 2.69Å; R947-D999 PolarHBondContact NH2-OD2 3.34Å
948	M	94.1	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.6	-26	-168.5	-59.1	-51.8	-74.5	0	0	114.4	L923 L944 M945 Q950 N951 F952 L997 D999	L923-M948 HydrophobicContact CD1-CB 3.85Å; L923-M948 HydrophobicContact CD1-CE 4.37Å; L923-M948 HydrophobicContact CD1-CG 4Å; L923-M948 HydrophobicContact CD2-CE 4.07Å; L923-M948 HydrophobicContact CD2-CG 4.49Å; L944-M948 HydrophobicContact CD1-CG 3.87Å; L944-M948 HydrophobicContact CG-CG 4.04Å; L944-M948 PolarHBondContact O-N 3.16Å; M945-M948 PolarHBondContact O-N 3Å; M945-M948 VanDerWaalsContact O-N 3.16Å; M945-M948 HydrophobicContact SD-CB 4.1Å; M948-Q950 PolarHBondContact O-N 2.6Å; M948-N951 PolarHBondContact O-N 3.07Å; M948-F952 HydrophobicContact CB-CE2 4.28Å; M948-F952 WeakPolarHBondContact O-CD2 3.5Å; M948-L997 WeakPolarHBondContact CE-O 3.36Å; M948-D999 HydrophobicContact CE-CB 4.42Å
949	N	92	Very high	91	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.16	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-31	175.4	-79.5	-26.3	0	0	0	112.8	Y907 M945 R947 N951	Y907-N949 PolarHBondContact OH-ND2 3.33Å; Y907-N949 PolarHBondContact OH-OD1 2.64Å; M945-N949 WeakPolarHBondContact CE-OD1 3.47Å; M945-N949 WeakPolarHBondContact O-CB 3.5Å; M945-N949 PolarHBondContact O-N 2.82Å; M945-N949 PolarHBondContact O-ND2 2.7Å; M945-N949 VanDerWaalsContact O-ND2 3.12Å; R947-N949 PolarHBondContact O-N 2.76Å; N949-N951 VanDerWaalsContact C-N 3.33Å; N949-N951 PolarHBondContact O-N 2.77Å
950	Q	91.4	Very high	90.8	Very high	107 Å²	107	45.6 Å²	45.6	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	179.4	-59.3	-63.8	-66.6	0	0	113.6	R947 M948 G955 A957	R947-Q950 PolarHBondContact O-N 2.8Å; M948-Q950 PolarHBondContact O-N 2.6Å; Q950-G955 CarbonylContact O-C 3.46Å; Q950-G955 WeakPolarHBondContact O-CA 3.47Å; Q950-A957 HydrophobicContact CB-CB 3.97Å; Q950-A957 WeakPolarHBondContact O-CB 3.3Å; Q950-A957 PolarHBondContact O-N 2.96Å
951	N	92.5	Very high	90.6	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.064	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-18	-179.5	-65.9	-5.2	0	0	0	113	M948 N949 H961 F996	M948-N951 PolarHBondContact O-N 3.07Å; N949-N951 VanDerWaalsContact C-N 3.33Å; N949-N951 PolarHBondContact O-N 2.77Å; N951-H961 PolarHBondContact OD1-NE2 3.04Å; N951-F996 PolarHBondContact ND2-O 2.89Å
952	F	90.9	Very high	90.3	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	25%	0.25	C	S	.	.	S	Bend	trans	-74.2	163.1	174.3	-70.3	-78.5	0	0	0	111.3	V917 M920 L923 M945 M948 H954 G955 L997	V917-F952 HydrophobicContact CB-CD1 3.66Å; V917-F952 HydrophobicContact CB-CE1 3.91Å; V917-F952 HydrophobicContact CB-CG 4.38Å; V917-F952 HydrophobicContact CG1-CD1 3.45Å; V917-F952 VanDerWaalsContact CG1-CD1 3.45Å; V917-F952 HydrophobicContact CG1-CE1 3.94Å; V917-F952 HydrophobicContact CG1-CG 4.39Å; V917-F952 HydrophobicContact CG2-CD1 4.27Å; M920-F952 HydrophobicContact CG-CE1 4.32Å; M920-F952 HydrophobicContact CG-CE2 4.39Å; M920-F952 HydrophobicContact CG-CZ 3.84Å; L923-F952 HydrophobicContact CD1-CE2 4Å; L923-F952 HydrophobicContact CD1-CZ 3.84Å; M945-F952 HydrophobicContact CE-CD2 4.19Å; M945-F952 HydrophobicContact CE-CE2 3.57Å; M945-F952 HydrophobicContact CE-CZ 4.35Å; M945-F952 HydrophobicContact SD-CE2 4.46Å; M948-F952 HydrophobicContact CB-CE2 4.28Å; M948-F952 WeakPolarHBondContact O-CD2 3.5Å; F952-H954 PolarHBondContact O-N 2.98Å; F952-G955 PolarHBondContact O-N 2.95Å; F952-L997 HydrophobicContact CD1-CD1 3.57Å; F952-L997 HydrophobicContact CD1-CG 4.49Å; F952-L997 HydrophobicContact CE1-CD1 3.77Å; F952-L997 HydrophobicContact CE1-CG 4.22Å; F952-L997 HydrophobicContact CG-CD1 4.13Å; F952-L997 HydrophobicContact CZ-CD1 4.44Å
953	P	82.9	Confident	89.9	Confident	89 Å²	89	46.8 Å²	46.8	58%	0.578	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.6	-170.4	-30.6	37.2	0	0	0	116.2	G955	P953-G955 VanDerWaalsContact C-N 3.3Å; P953-G955 PolarHBondContact O-N 3.3Å
954	H	79.9	Confident	89.7	Confident	155 Å²	155	45.6 Å²	45.6	72%	0.718	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.6	178.4	-49	133.7	0	0	0	114.1	F952	F952-H954 PolarHBondContact O-N 2.98Å
955	G	79.1	Confident	89.4	Confident	18 Å²	18	45.5 Å²	45.5	19%	0.186	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-16.3	-169.1	0	0	0	0	0	116.4	Q950 F952 P953 A957	Q950-G955 CarbonylContact O-C 3.46Å; Q950-G955 WeakPolarHBondContact O-CA 3.47Å; F952-G955 PolarHBondContact O-N 2.95Å; P953-G955 VanDerWaalsContact C-N 3.3Å; P953-G955 PolarHBondContact O-N 3.3Å; G955-A957 PolarHBondContact O-N 2.89Å
956	G	83.1	Confident	89	Confident	45 Å²	45	49.3 Å²	49.3	46%	0.464	27%	0.265	S	S	.	.			trans	67.7	-3	171.7	0	0	0	0	0	117.8	M958	G956-M958 PolarHBondContact O-N 3.44Å
957	A	88.6	Confident	88.7	Confident	19 Å²	19	44.9 Å²	44.9	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-21.9	-179.2	0	0	0	0	0	113.3	Q950 G955 D959 T960 H961	Q950-A957 HydrophobicContact CB-CB 3.97Å; Q950-A957 WeakPolarHBondContact O-CB 3.3Å; Q950-A957 PolarHBondContact O-N 2.96Å; G955-A957 PolarHBondContact O-N 2.89Å; A957-D959 PolarHBondContact O-N 3.15Å; A957-T960 WeakPolarHBondContact O-CA 3.3Å; A957-T960 WeakPolarHBondContact O-CB 3.48Å; A957-T960 PolarHBondContact O-N 3.21Å; A957-T960 VanDerWaalsContact O-N 3.09Å; A957-H961 PolarHBondContact O-CD2 2.88Å; A957-H961 PolarHBondContact O-N 3.1Å
958	M	89.9	Confident	88.6	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.069	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-42.7	-176.4	-164.9	67.3	77.1	0	0	112.9	G956 T960 H961 F962 Y993 F996 L997	G956-M958 PolarHBondContact O-N 3.44Å; M958-T960 PolarHBondContact O-N 3.05Å; M958-H961 PolarHBondContact O-N 3.43Å; M958-F962 HydrophobicContact CG-CD2 4.06Å; M958-F962 HydrophobicContact CG-CE1 4.39Å; M958-F962 HydrophobicContact CG-CE2 3.44Å; M958-F962 VanDerWaalsContact CG-CE2 3.44Å; M958-F962 HydrophobicContact CG-CZ 3.63Å; M958-F962 WeakPolarHBondContact O-CD2 3.43Å; M958-F962 WeakPolarHBondContact O-CG 3.49Å; M958-F962 PolarHBondContact O-N 3.24Å; M958-F962 HydrophobicContact SD-CE1 4.15Å; M958-F962 HydrophobicContact SD-CE2 4.24Å; M958-F962 HydrophobicContact SD-CZ 3.81Å; M958-Y993 HydrophobicContact CE-CD1 4.44Å; M958-Y993 HydrophobicContact CE-CD2 3.84Å; M958-Y993 HydrophobicContact CE-CE1 4.42Å; M958-Y993 HydrophobicContact CE-CE2 3.82Å; M958-Y993 HydrophobicContact CE-CG 4.15Å; M958-Y993 HydrophobicContact CG-CD2 3.75Å; M958-Y993 HydrophobicContact CG-CE2 3.79Å; M958-Y993 HydrophobicContact SD-CD2 4.04Å; M958-Y993 HydrophobicContact SD-CE2 4.39Å; M958-F996 HydrophobicContact CE-CB 4.11Å; M958-F996 HydrophobicContact SD-CB 3.78Å; M958-F996 HydrophobicContact SD-CD2 3.94Å; M958-F996 HydrophobicContact SD-CG 4.37Å; M958-L997 HydrophobicContact CE-CB 4.16Å; M958-L997 HydrophobicContact CE-CD1 4.49Å
959	D	89.1	Confident	88.3	Confident	100 Å²	100	41.2 Å²	41.2	54%	0.535	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-32.5	176.1	-66.5	-53.7	0	0	0	112.3	A957 A963	A957-D959 PolarHBondContact O-N 3.15Å; D959-A963 VanDerWaalsContact O-CB 3.28Å; D959-A963 WeakPolarHBondContact O-CB 3.36Å; D959-A963 PolarHBondContact O-N 3.46Å
960	T	90	Very high	88.1	Confident	75 Å²	75	43.7 Å²	43.7	46%	0.46	25%	0.247	S	C	.	.	H	α-helix	trans	-69.7	-42.8	174	-62	0	0	0	0	111	A957 M958 A963 N964	A957-T960 WeakPolarHBondContact O-CA 3.3Å; A957-T960 WeakPolarHBondContact O-CB 3.48Å; A957-T960 PolarHBondContact O-N 3.21Å; A957-T960 VanDerWaalsContact O-N 3.09Å; M958-T960 PolarHBondContact O-N 3.05Å; T960-A963 PolarHBondContact O-N 3.03Å; T960-N964 WeakPolarHBondContact CG2-ND2 3.35Å; T960-N964 WeakPolarHBondContact O-CB 3.36Å; T960-N964 VanDerWaalsContact O-CG 3.26Å; T960-N964 PolarHBondContact O-N 3.01Å; T960-N964 PolarHBondContact O-ND2 3.4Å
961	H	91.9	Very high	87.7	Confident	15 Å²	15	40.8 Å²	40.8	7%	0.069	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-47.2	173.6	-62.7	-38.1	0	0	0	110.9	N951 A957 M958 N964 M965 F996 L1029	N951-H961 PolarHBondContact OD1-NE2 3.04Å; A957-H961 PolarHBondContact O-CD2 2.88Å; A957-H961 PolarHBondContact O-N 3.1Å; M958-H961 PolarHBondContact O-N 3.43Å; H961-N964 PolarHBondContact O-N 3.12Å; H961-M965 WeakPolarHBondContact O-CG 3.31Å; H961-M965 PolarHBondContact O-N 2.92Å; H961-F996 HydrophobicContact CB-CD2 3.82Å; H961-F996 HydrophobicContact CB-CE2 3.93Å; H961-F996 HydrophobicContact CB-CG 4.3Å; H961-L1029 HydrophobicContact CB-CD2 3.78Å
962	F	90.8	Very high	87.5	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-45.8	177	-63	-34.7	0	0	0	112.5	M958 N964 M965 R966 H988 F989 Y990 C992 Y993 F996	M958-F962 HydrophobicContact CG-CD2 4.06Å; M958-F962 HydrophobicContact CG-CE1 4.39Å; M958-F962 HydrophobicContact CG-CE2 3.44Å; M958-F962 VanDerWaalsContact CG-CE2 3.44Å; M958-F962 HydrophobicContact CG-CZ 3.63Å; M958-F962 WeakPolarHBondContact O-CD2 3.43Å; M958-F962 WeakPolarHBondContact O-CG 3.49Å; M958-F962 PolarHBondContact O-N 3.24Å; M958-F962 HydrophobicContact SD-CE1 4.15Å; M958-F962 HydrophobicContact SD-CE2 4.24Å; M958-F962 HydrophobicContact SD-CZ 3.81Å; F962-N964 VanDerWaalsContact C-N 3.29Å; F962-N964 PolarHBondContact O-N 2.88Å; F962-M965 WeakPolarHBondContact O-CB 2.91Å; F962-M965 PolarHBondContact O-N 2.86Å; F962-M965 VanDerWaalsContact O-N 3.13Å; F962-R966 WeakPolarHBondContact O-CG 3.1Å; F962-R966 PolarHBondContact O-N 2.84Å; F962-H988 WeakPolarHBondContact CD1-O 3.44Å; F962-H988 WeakPolarHBondContact CD2-O 3.43Å; F962-H988 WeakPolarHBondContact CE2-O 3.43Å; F962-H988 VanDerWaalsContact CG-O 3.23Å; F962-H988 WeakPolarHBondContact CG-O 3.08Å; F962-H988 WeakPolarHBondContact CZ-O 3.46Å; F962-F989 HydrophobicContact CD1-CB 3.73Å; F962-F989 HydrophobicContact CE1-CB 4.19Å; F962-F989 WeakPolarHBondContact CE1-O 3.22Å; F962-F989 HydrophobicContact CG-CB 4.32Å; F962-Y990 HydrophobicContact CE2-CD1 4.16Å; F962-Y990 HydrophobicContact CE2-CE1 4.38Å; F962-Y990 HydrophobicContact CZ-CD1 4.33Å; F962-C992 HydrophobicContact CE1-CB 4.17Å; F962-Y993 HydrophobicContact CE2-CD2 4.2Å; F962-Y993 AromaticContact CZ-CD2 3.88Å; F962-Y993 HydrophobicContact CZ-CD2 3.88Å; F962-Y993 HydrophobicContact CZ-CG 4.43Å; F962-F996 HydrophobicContact CD1-CD2 4.38Å; F962-F996 HydrophobicContact CD1-CE2 4.11Å; F962-F996 HydrophobicContact CE1-CD2 4.05Å; F962-F996 HydrophobicContact CE1-CE2 4.09Å
963	A	88.1	Confident	87.4	Confident	32 Å²	32	42.1 Å²	42.1	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-40.8	177.2	0	0	0	0	0	112.6	D959 T960 S967	D959-A963 VanDerWaalsContact O-CB 3.28Å; D959-A963 WeakPolarHBondContact O-CB 3.36Å; D959-A963 PolarHBondContact O-N 3.46Å; T960-A963 PolarHBondContact O-N 3.03Å; A963-S967 PolarHBondContact O-N 3.39Å; A963-S967 PolarHBondContact O-OG 3.38Å
964	N	90.4	Very high	87.6	Confident	29 Å²	29	41.3 Å²	41.3	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-36.5	175.5	-68.7	-38.7	0	0	0	112.2	L571 T960 H961 F962 S967 L968 L1029	L571-N964 HydrophobicContact CD1-CB 4.11Å; L571-N964 HydrophobicContact CD2-CB 4.27Å; T960-N964 WeakPolarHBondContact CG2-ND2 3.35Å; T960-N964 WeakPolarHBondContact O-CB 3.36Å; T960-N964 VanDerWaalsContact O-CG 3.26Å; T960-N964 PolarHBondContact O-N 3.01Å; T960-N964 PolarHBondContact O-ND2 3.4Å; H961-N964 PolarHBondContact O-N 3.12Å; F962-N964 VanDerWaalsContact C-N 3.29Å; F962-N964 PolarHBondContact O-N 2.88Å; N964-S967 WeakPolarHBondContact O-CB 3.42Å; N964-S967 PolarHBondContact O-N 3.24Å; N964-L968 WeakPolarHBondContact O-CB 3.46Å; N964-L968 VanDerWaalsContact O-CG 3.3Å; N964-L968 WeakPolarHBondContact O-CG 3.29Å; N964-L968 PolarHBondContact O-N 3.01Å; N964-L1029 HydrophobicContact CB-CD1 3.5Å
965	M	90.6	Very high	88.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-49.3	173.5	-76.9	-60.6	-68	0	0	112.4	H961 F962 S967 L968 I969 F996 L1029 A1032 L1033	H961-M965 WeakPolarHBondContact O-CG 3.31Å; H961-M965 PolarHBondContact O-N 2.92Å; F962-M965 WeakPolarHBondContact O-CB 2.91Å; F962-M965 PolarHBondContact O-N 2.86Å; F962-M965 VanDerWaalsContact O-N 3.13Å; M965-S967 PolarHBondContact O-N 2.83Å; M965-L968 PolarHBondContact O-N 3.19Å; M965-I969 HydrophobicContact CE-CD1 4.23Å; M965-I969 WeakPolarHBondContact O-CG1 3.49Å; M965-I969 PolarHBondContact O-N 3.48Å; M965-F996 HydrophobicContact CG-CE2 4.02Å; M965-F996 HydrophobicContact CG-CZ 3.68Å; M965-F996 HydrophobicContact SD-CZ 3.98Å; M965-L1029 HydrophobicContact CG-CD2 4.14Å; M965-L1029 HydrophobicContact SD-CB 4.04Å; M965-L1029 HydrophobicContact SD-CD2 4.27Å; M965-L1029 VanDerWaalsContact SD-O 3.38Å; M965-A1032 HydrophobicContact CE-CB 3.82Å; M965-A1032 HydrophobicContact SD-CB 4.03Å; M965-L1033 HydrophobicContact CE-CB 4.25Å
966	R	87.2	Confident	88.6	Confident	81 Å²	81	38.2 Å²	38.2	31%	0.306	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-41.7	178.3	-16.8	-165.3	-106.8	-77.5	-6.5	110.8	F962 Q970 T987 F989	F962-R966 WeakPolarHBondContact O-CG 3.1Å; F962-R966 PolarHBondContact O-N 2.84Å; R966-Q970 VanDerWaalsContact O-CB 3.25Å; R966-Q970 WeakPolarHBondContact O-CB 2.85Å; R966-Q970 PolarHBondContact O-N 3.25Å; R966-T987 VanDerWaalsContact CD-O 3.26Å; R966-T987 WeakPolarHBondContact CD-O 3.34Å; R966-T987 PolarHBondContact NE-O 2.95Å; R966-T987 PolarHBondContact NH1-O 3.5Å; R966-F989 HydrophobicContact CB-CD2 4.45Å; R966-F989 HydrophobicContact CB-CE2 3.77Å; R966-F989 HydrophobicContact CB-CZ 4.45Å; R966-F989 HydrophobicContact CG-CD2 3.75Å; R966-F989 HydrophobicContact CG-CE2 3.54Å
967	S	86.9	Confident	88.8	Confident	35 Å²	35	38.3 Å²	38.3	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-52.6	176.6	-56.3	0	0	0	0	111.3	A963 N964 M965 I969 Q970 I971	A963-S967 PolarHBondContact O-N 3.39Å; A963-S967 PolarHBondContact O-OG 3.38Å; N964-S967 WeakPolarHBondContact O-CB 3.42Å; N964-S967 PolarHBondContact O-N 3.24Å; M965-S967 PolarHBondContact O-N 2.83Å; S967-I969 PolarHBondContact O-N 3.27Å; S967-Q970 PolarHBondContact O-N 3.39Å; S967-I971 WeakPolarHBondContact O-CD1 3.35Å; S967-I971 WeakPolarHBondContact O-CG1 3.48Å; S967-I971 PolarHBondContact O-N 3.39Å; S967-I971 VanDerWaalsContact O-N 3.16Å
968	L	90.4	Very high	88.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-47.4	179.9	-76.9	165.8	0	0	0	111.9	L568 L571 N964 M965 I971 L972 L1029 F1030 L1033 V1080	L568-L968 HydrophobicContact CD2-CD2 3.68Å; L568-L968 HydrophobicContact CD2-CG 4.33Å; L571-L968 HydrophobicContact CD1-CD1 4.2Å; L571-L968 HydrophobicContact CD1-CD2 4.22Å; L571-L968 HydrophobicContact CD1-CG 4.13Å; N964-L968 WeakPolarHBondContact O-CB 3.46Å; N964-L968 VanDerWaalsContact O-CG 3.3Å; N964-L968 WeakPolarHBondContact O-CG 3.29Å; N964-L968 PolarHBondContact O-N 3.01Å; M965-L968 PolarHBondContact O-N 3.19Å; L968-I971 PolarHBondContact O-N 2.96Å; L968-L972 HydrophobicContact CB-CD1 4.5Å; L968-L972 HydrophobicContact CD2-CD1 4.06Å; L968-L972 VanDerWaalsContact O-CB 3.3Å; L968-L972 WeakPolarHBondContact O-CB 3.35Å; L968-L972 WeakPolarHBondContact O-CG 3.1Å; L968-L972 PolarHBondContact O-N 3.07Å; L968-L1029 HydrophobicContact CD1-CB 3.91Å; L968-L1029 HydrophobicContact CD1-CD1 4.27Å; L968-F1030 HydrophobicContact CD2-CE1 4.01Å; L968-F1030 HydrophobicContact CD2-CZ 4.11Å; L968-L1033 HydrophobicContact CB-CD2 4.19Å; L968-V1080 HydrophobicContact CD2-CG2 4.1Å
969	I	89.4	Confident	88.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-48.2	178.3	-62.9	164	0	0	0	110.3	M965 S967 I971 L972 D973 L976 F977 F989 L1033	M965-I969 HydrophobicContact CE-CD1 4.23Å; M965-I969 WeakPolarHBondContact O-CG1 3.49Å; M965-I969 PolarHBondContact O-N 3.48Å; S967-I969 PolarHBondContact O-N 3.27Å; I969-I971 PolarHBondContact O-N 2.69Å; I969-L972 PolarHBondContact O-N 2.8Å; I969-D973 CarbonylContact O-C 3.36Å; I969-D973 WeakPolarHBondContact O-CA 3.25Å; I969-D973 PolarHBondContact O-N 3.22Å; I969-L976 HydrophobicContact CG2-CB 4.46Å; I969-L976 HydrophobicContact CG2-CD2 4.15Å; I969-L976 HydrophobicContact CG2-CG 4.33Å; I969-F977 HydrophobicContact CG2-CB 4.05Å; I969-F977 HydrophobicContact CG2-CD2 4.48Å; I969-F989 HydrophobicContact CD1-CD1 4.29Å; I969-F989 HydrophobicContact CD1-CE1 3.35Å; I969-F989 HydrophobicContact CD1-CZ 3.73Å; I969-L1033 HydrophobicContact CD1-CD1 4.47Å; I969-L1033 HydrophobicContact CG1-CD1 3.58Å
970	Q	86.4	Confident	88.1	Confident	83 Å²	83	38.5 Å²	38.5	39%	0.388	20%	0.202	S	C	.	.	H	α-helix	trans	-54.2	-30.2	178	-171.7	177.2	37.3	0	0	113.8	R966 S967 F977	R966-Q970 VanDerWaalsContact O-CB 3.25Å; R966-Q970 WeakPolarHBondContact O-CB 2.85Å; R966-Q970 PolarHBondContact O-N 3.25Å; S967-Q970 PolarHBondContact O-N 3.39Å; Q970-F977 HydrophobicContact CB-CD1 4.4Å; Q970-F977 HydrophobicContact CB-CD2 3.62Å; Q970-F977 HydrophobicContact CB-CE2 3.74Å; Q970-F977 HydrophobicContact CB-CG 3.97Å; Q970-F977 HydrophobicContact CB-CZ 4.2Å; Q970-F977 HydrophobicContact CG-CD1 4.1Å; Q970-F977 HydrophobicContact CG-CD2 4.18Å; Q970-F977 HydrophobicContact CG-CE1 4.05Å; Q970-F977 HydrophobicContact CG-CE2 4.12Å; Q970-F977 HydrophobicContact CG-CG 4.17Å; Q970-F977 HydrophobicContact CG-CZ 4.05Å
971	I	84.5	Confident	87.7	Confident	46 Å²	46	41.4 Å²	41.4	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-95.9	-32.4	-174.2	-60.8	157	0	0	0	112.3	V564 L568 S967 L968 I969 L1083	V564-I971 HydrophobicContact CB-CD1 4.24Å; V564-I971 HydrophobicContact CG1-CD1 3.45Å; V564-I971 VanDerWaalsContact CG1-CD1 3.45Å; V564-I971 HydrophobicContact CG1-CG1 3.87Å; V564-I971 HydrophobicContact CG1-CG2 4.2Å; V564-I971 HydrophobicContact CG2-CD1 3.96Å; V564-I971 HydrophobicContact CG2-CG1 4.2Å; L568-I971 HydrophobicContact CD1-CD1 3.83Å; L568-I971 HydrophobicContact CD1-CG2 4.07Å; L568-I971 HydrophobicContact CD2-CD1 4.02Å; L568-I971 HydrophobicContact CG-CD1 3.95Å; S967-I971 WeakPolarHBondContact O-CD1 3.35Å; S967-I971 WeakPolarHBondContact O-CG1 3.48Å; S967-I971 PolarHBondContact O-N 3.39Å; S967-I971 VanDerWaalsContact O-N 3.16Å; L968-I971 PolarHBondContact O-N 2.96Å; I969-I971 PolarHBondContact O-N 2.69Å; I971-L1083 HydrophobicContact CG2-CD1 4.46Å
972	L	88.3	Confident	87.2	Confident	35 Å²	35	47.6 Å²	47.6	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-100.2	-30	-173.5	-62.4	171	0	0	0	112.9	L968 I969 L1033 L1076 K1079 V1080 L1083	L968-L972 HydrophobicContact CB-CD1 4.5Å; L968-L972 HydrophobicContact CD2-CD1 4.06Å; L968-L972 VanDerWaalsContact O-CB 3.3Å; L968-L972 WeakPolarHBondContact O-CB 3.35Å; L968-L972 WeakPolarHBondContact O-CG 3.1Å; L968-L972 PolarHBondContact O-N 3.07Å; I969-L972 PolarHBondContact O-N 2.8Å; L972-L1033 HydrophobicContact CD1-CD2 3.59Å; L972-L1076 HydrophobicContact CD1-CD2 4.15Å; L972-K1079 HydrophobicContact CD2-CB 4.31Å; L972-K1079 HydrophobicContact CD2-CD 4.49Å; L972-V1080 HydrophobicContact CD1-CG2 3.91Å; L972-V1080 HydrophobicContact CD2-CG2 4.14Å; L972-L1083 HydrophobicContact CD2-CD1 3.98Å
973	D	88.7	Confident	86.1	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.059	25%	0.253	C	S	.	.			trans	-146.2	84.6	176.4	-171.1	-3.3	0	0	0	111.6	I969 E975 L976 F977 R1040	I969-D973 CarbonylContact O-C 3.36Å; I969-D973 WeakPolarHBondContact O-CA 3.25Å; I969-D973 PolarHBondContact O-N 3.22Å; D973-E975 VanDerWaalsContact C-N 3.25Å; D973-E975 PolarHBondContact O-N 3.25Å; D973-E975 PolarHBondContact OD1-N 2.82Å; D973-L976 HydrophobicContact CB-CB 4.13Å; D973-L976 PolarHBondContact O-N 3.38Å; D973-L976 PolarHBondContact OD1-N 2.98Å; D973-L976 WeakPolarHBondContact OD2-CB 3.47Å; D973-F977 PolarHBondContact O-N 2.88Å; D973-R1040 IonicContact OD1-CZ 2.73Å; D973-R1040 IonicContact OD1-NE 3.93Å; D973-R1040 IonicContact OD1-NH2 2.63Å; D973-R1040 PolarHBondContact OD1-NH2 3.46Å; D973-R1040 WeakPolarHBondContact OD2-CD 3.35Å; D973-R1040 IonicContact OD2-CZ 3.46Å; D973-R1040 IonicContact OD2-NE 2.71Å; D973-R1040 PolarHBondContact OD2-NE 3.45Å; D973-R1040 IonicContact OD2-NH2 3.86Å; D973-R1040 PolarHBondContact OD2-NH2 3.34Å
974	S	86.8	Confident	84.9	Confident	72 Å²	72	51 Å²	51	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-67.1	-23.1	-179.9	59.1	0	0	0	0	113.7	E978	S974-E978 WeakPolarHBondContact O-CB 3.28Å; S974-E978 VanDerWaalsContact O-CG 3.31Å; S974-E978 WeakPolarHBondContact O-CG 3.32Å; S974-E978 PolarHBondContact O-N 2.87Å
975	E	90.6	Very high	83.4	Confident	109 Å²	109	55.3 Å²	55.3	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-73.7	-44.8	179	178.9	175.3	-127	0	0	110.6	D973 F977 E978 L979 R1040 L1044	D973-E975 VanDerWaalsContact C-N 3.25Å; D973-E975 PolarHBondContact O-N 3.25Å; D973-E975 PolarHBondContact OD1-N 2.82Å; E975-F977 VanDerWaalsContact C-N 3.34Å; E975-E978 PolarHBondContact O-N 2.79Å; E975-L979 PolarHBondContact O-N 3.42Å; E975-R1040 IonicContact OE2-CZ 2.72Å; E975-R1040 IonicContact OE2-NH1 2.79Å; E975-R1040 PolarHBondContact OE2-NH1 3.31Å; E975-R1040 IonicContact OE2-NH2 2.76Å; E975-R1040 PolarHBondContact OE2-NH2 3.1Å; E975-L1044 HydrophobicContact CG-CD1 4.26Å; E975-L1044 HydrophobicContact CG-CD2 4.12Å
976	L	88.2	Confident	82.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-39.1	171.3	-177.5	69.7	0	0	0	111.9	I969 D973 E978 L979 M980 V1036 I1043 L1044	I969-L976 HydrophobicContact CG2-CB 4.46Å; I969-L976 HydrophobicContact CG2-CD2 4.15Å; I969-L976 HydrophobicContact CG2-CG 4.33Å; D973-L976 HydrophobicContact CB-CB 4.13Å; D973-L976 PolarHBondContact O-N 3.38Å; D973-L976 PolarHBondContact OD1-N 2.98Å; D973-L976 WeakPolarHBondContact OD2-CB 3.47Å; L976-E978 VanDerWaalsContact C-N 3.34Å; L976-E978 PolarHBondContact O-N 2.9Å; L976-L979 PolarHBondContact O-N 2.72Å; L976-M980 HydrophobicContact CD1-CE 3.94Å; L976-M980 HydrophobicContact CD2-CE 4.28Å; L976-M980 HydrophobicContact CG-CE 3.95Å; L976-M980 WeakPolarHBondContact O-CB 3.16Å; L976-M980 WeakPolarHBondContact O-CG 3.25Å; L976-M980 PolarHBondContact O-N 2.77Å; L976-V1036 HydrophobicContact CD2-CG1 3.63Å; L976-I1043 HydrophobicContact CD1-CG2 3.86Å; L976-L1044 HydrophobicContact CD1-CD2 4.43Å
977	F	87.9	Confident	80.7	Confident	46 Å²	46	55 Å²	55	20%	0.202	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-43.3	172.1	-174.1	-95.7	0	0	0	112.1	I969 Q970 D973 E975 H981	I969-F977 HydrophobicContact CG2-CB 4.05Å; I969-F977 HydrophobicContact CG2-CD2 4.48Å; Q970-F977 HydrophobicContact CB-CD1 4.4Å; Q970-F977 HydrophobicContact CB-CD2 3.62Å; Q970-F977 HydrophobicContact CB-CE2 3.74Å; Q970-F977 HydrophobicContact CB-CG 3.97Å; Q970-F977 HydrophobicContact CB-CZ 4.2Å; Q970-F977 HydrophobicContact CG-CD1 4.1Å; Q970-F977 HydrophobicContact CG-CD2 4.18Å; Q970-F977 HydrophobicContact CG-CE1 4.05Å; Q970-F977 HydrophobicContact CG-CE2 4.12Å; Q970-F977 HydrophobicContact CG-CG 4.17Å; Q970-F977 HydrophobicContact CG-CZ 4.05Å; D973-F977 PolarHBondContact O-N 2.88Å; E975-F977 VanDerWaalsContact C-N 3.34Å; F977-H981 VanDerWaalsContact O-CB 3.3Å; F977-H981 WeakPolarHBondContact O-CB 3.47Å; F977-H981 PolarHBondContact O-N 2.71Å
978	E	87	Confident	79.8	Confident	121 Å²	121	56.6 Å²	56.6	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-70	-39.3	178.7	-79.5	178.7	-159.9	0	0	112.5	S974 E975 L976 H981 Q982	S974-E978 WeakPolarHBondContact O-CB 3.28Å; S974-E978 VanDerWaalsContact O-CG 3.31Å; S974-E978 WeakPolarHBondContact O-CG 3.32Å; S974-E978 PolarHBondContact O-N 2.87Å; E975-E978 PolarHBondContact O-N 2.79Å; L976-E978 VanDerWaalsContact C-N 3.34Å; L976-E978 PolarHBondContact O-N 2.9Å; E978-H981 PolarHBondContact O-N 2.99Å; E978-Q982 VanDerWaalsContact O-CG 3.28Å; E978-Q982 WeakPolarHBondContact O-CG 3.3Å; E978-Q982 PolarHBondContact O-N 3.42Å; E978-Q982 VanDerWaalsContact O-N 3.12Å; E978-Q982 PolarHBondContact O-NE2 2.8Å
979	L	85.3	Confident	79.3	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-50.6	172.5	172.7	64	0	0	0	110.6	E975 L976 Q982 N983 I1043 L1044 N1047	E975-L979 PolarHBondContact O-N 3.42Å; L976-L979 PolarHBondContact O-N 2.72Å; L979-Q982 PolarHBondContact O-N 2.88Å; L979-N983 WeakPolarHBondContact CD1-ND2 3.38Å; L979-I1043 HydrophobicContact CD2-CG2 4.03Å; L979-L1044 HydrophobicContact CB-CD2 4.05Å; L979-L1044 HydrophobicContact CD2-CD2 3.78Å; L979-N1047 HydrophobicContact CD1-CB 4.44Å; L979-N1047 WeakPolarHBondContact CD1-OD1 3.16Å
980	M	81.6	Confident	79	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-55.6	-57.3	176.7	-74	-180	-178.6	0	0	109.8	L976 Q982 N983 Y986 F989 F991 V1036 I1053	L976-M980 HydrophobicContact CD1-CE 3.94Å; L976-M980 HydrophobicContact CD2-CE 4.28Å; L976-M980 HydrophobicContact CG-CE 3.95Å; L976-M980 WeakPolarHBondContact O-CB 3.16Å; L976-M980 WeakPolarHBondContact O-CG 3.25Å; L976-M980 PolarHBondContact O-N 2.77Å; M980-Q982 PolarHBondContact O-N 2.96Å; M980-N983 PolarHBondContact O-N 2.87Å; M980-Y986 HydrophobicContact CB-CD1 3.54Å; M980-Y986 HydrophobicContact CB-CD2 4.46Å; M980-Y986 HydrophobicContact CB-CE1 3.98Å; M980-Y986 HydrophobicContact CB-CG 3.82Å; M980-Y986 HydrophobicContact CG-CD1 3.75Å; M980-Y986 HydrophobicContact CG-CE1 4Å; M980-Y986 WeakPolarHBondContact O-CD2 3.25Å; M980-Y986 WeakPolarHBondContact O-CE2 3.28Å; M980-Y986 HydrophobicContact SD-CD1 4.4Å; M980-F989 HydrophobicContact CE-CE1 4.4Å; M980-F989 HydrophobicContact SD-CE1 3.67Å; M980-F989 HydrophobicContact SD-CZ 3.83Å; M980-F991 HydrophobicContact CE-CZ 4.19Å; M980-V1036 HydrophobicContact CE-CG1 4.25Å; M980-I1053 HydrophobicContact CE-CD1 4.32Å
981	H	81.1	Confident	79	Confident	136 Å²	136	59.7 Å²	59.7	63%	0.63	31%	0.306	S	S	*	.	H	α-helix	trans	-60	-22.6	-175.3	-169.1	51	0	0	0	115	F977 E978	F977-H981 VanDerWaalsContact O-CB 3.3Å; F977-H981 WeakPolarHBondContact O-CB 3.47Å; F977-H981 PolarHBondContact O-N 2.71Å; E978-H981 PolarHBondContact O-N 2.99Å
982	Q	80.1	Confident	79.4	Confident	144 Å²	144	57.5 Å²	57.5	67%	0.673	30%	0.295	S	S	*	.	H	α-helix	trans	-76.1	-28.7	176.7	-78.8	169.5	91.5	0	0	114.1	E978 L979 M980	E978-Q982 VanDerWaalsContact O-CG 3.28Å; E978-Q982 WeakPolarHBondContact O-CG 3.3Å; E978-Q982 PolarHBondContact O-N 3.42Å; E978-Q982 VanDerWaalsContact O-N 3.12Å; E978-Q982 PolarHBondContact O-NE2 2.8Å; L979-Q982 PolarHBondContact O-N 2.88Å; M980-Q982 PolarHBondContact O-N 2.96Å
983	N	68.7	Low	79.6	Confident	57 Å²	57	59.7 Å²	59.7	31%	0.305	30%	0.301	S	S	.	.	S	Bend	trans	-100.8	20.8	-163.3	-73.5	-12.7	0	0	0	114.4	L979 M980 Y986 N1047	L979-N983 WeakPolarHBondContact CD1-ND2 3.38Å; M980-N983 PolarHBondContact O-N 2.87Å; N983-Y986 VanDerWaalsContact C-CE2 3.44Å; N983-Y986 HydrophobicContact CB-CE2 4.06Å; N983-Y986 VanDerWaalsContact CB-OH 3.25Å; N983-Y986 WeakPolarHBondContact CB-OH 3.46Å; N983-Y986 WeakPolarHBondContact O-CE2 3.36Å; N983-Y986 PolarHBondContact O-OH 2.74Å; N983-N1047 PolarHBondContact ND2-ND2 3.45Å
984	G	62.6	Low	79.8	Confident	49 Å²	49	63 Å²	63	51%	0.505	31%	0.313	S	S	.	.	S	Bend	trans	126.9	-149.9	-176.5	0	0	0	0	0	116.1	Y986	G984-Y986 WeakPolarHBondContact O-CD2 3.34Å; G984-Y986 PolarHBondContact O-N 3.13Å
985	D	59.8	Low	80.3	Confident	120 Å²	120	59.6 Å²	59.6	64%	0.642	29%	0.289	S	S	*	.			trans	-99.7	75.1	-167.4	-161.8	-6.4	0	0	0	114	T987	D985-T987 PolarHBondContact O-N 2.97Å; D985-T987 VanDerWaalsContact O-N 3.13Å; D985-T987 WeakPolarHBondContact OD1-CB 3.4Å; D985-T987 WeakPolarHBondContact OD1-CG2 3.39Å; D985-T987 PolarHBondContact OD1-OG1 3.05Å
986	Y	61.8	Low	80.5	Confident	16 Å²	16	54.4 Å²	54.4	6%	0.063	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	20.7	-176.5	-62.2	-108.7	0	0	0	112.5	M980 N983 G984 H988 F989 F1050	M980-Y986 HydrophobicContact CB-CD1 3.54Å; M980-Y986 HydrophobicContact CB-CD2 4.46Å; M980-Y986 HydrophobicContact CB-CE1 3.98Å; M980-Y986 HydrophobicContact CB-CG 3.82Å; M980-Y986 HydrophobicContact CG-CD1 3.75Å; M980-Y986 HydrophobicContact CG-CE1 4Å; M980-Y986 WeakPolarHBondContact O-CD2 3.25Å; M980-Y986 WeakPolarHBondContact O-CE2 3.28Å; M980-Y986 HydrophobicContact SD-CD1 4.4Å; N983-Y986 VanDerWaalsContact C-CE2 3.44Å; N983-Y986 HydrophobicContact CB-CE2 4.06Å; N983-Y986 VanDerWaalsContact CB-OH 3.25Å; N983-Y986 WeakPolarHBondContact CB-OH 3.46Å; N983-Y986 WeakPolarHBondContact O-CE2 3.36Å; N983-Y986 PolarHBondContact O-OH 2.74Å; G984-Y986 WeakPolarHBondContact O-CD2 3.34Å; G984-Y986 PolarHBondContact O-N 3.13Å; Y986-H988 PolarHBondContact O-N 3.3Å; Y986-F989 VanDerWaalsContact O-CD2 3.25Å; Y986-F989 WeakPolarHBondContact O-CD2 3.11Å; Y986-F989 WeakPolarHBondContact O-CE2 3.37Å; Y986-F1050 AromaticContact CD1-CD2 3.88Å; Y986-F1050 HydrophobicContact CD1-CD2 3.88Å; Y986-F1050 HydrophobicContact CE1-CB 3.75Å; Y986-F1050 AromaticContact CE1-CD2 3.79Å; Y986-F1050 HydrophobicContact CE1-CD2 3.79Å; Y986-F1050 HydrophobicContact CE1-CG 4.26Å; Y986-F1050 PolarHBondContact OH-N 3.05Å
987	T	59	Low	80.9	Confident	59 Å²	59	55.4 Å²	55.4	36%	0.362	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.2	175.7	48.8	0	0	0	0	112.2	R966 D985	R966-T987 VanDerWaalsContact CD-O 3.26Å; R966-T987 WeakPolarHBondContact CD-O 3.34Å; R966-T987 PolarHBondContact NE-O 2.95Å; R966-T987 PolarHBondContact NH1-O 3.5Å; D985-T987 PolarHBondContact O-N 2.97Å; D985-T987 VanDerWaalsContact O-N 3.13Å; D985-T987 WeakPolarHBondContact OD1-CB 3.4Å; D985-T987 WeakPolarHBondContact OD1-CG2 3.39Å; D985-T987 PolarHBondContact OD1-OG1 3.05Å
988	H	66.6	Low	81.3	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.315	26%	0.262	S	S	.	.	S	Bend	trans	-115.4	-6.8	-168	-67.3	-74	0	0	0	117.7	F962 Y986 Y990	F962-H988 WeakPolarHBondContact CD1-O 3.44Å; F962-H988 WeakPolarHBondContact CD2-O 3.43Å; F962-H988 WeakPolarHBondContact CE2-O 3.43Å; F962-H988 VanDerWaalsContact CG-O 3.23Å; F962-H988 WeakPolarHBondContact CG-O 3.08Å; F962-H988 WeakPolarHBondContact CZ-O 3.46Å; Y986-H988 PolarHBondContact O-N 3.3Å; H988-Y990 HydrophobicContact CB-CD1 4.2Å; H988-Y990 HydrophobicContact CB-CD2 3.77Å; H988-Y990 HydrophobicContact CB-CE1 3.79Å; H988-Y990 HydrophobicContact CB-CE2 3.32Å; H988-Y990 HydrophobicContact CB-CG 4.19Å; H988-Y990 AromaticContact CG-CE2 3.96Å; H988-Y990 AromaticContact CG-CZ 3.69Å; H988-Y990 PolarHBondContact O-N 2.84Å
989	F	80	Confident	81.7	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.022	24%	0.235	C	C	.	.			trans	49.7	31.1	171.2	-79.8	-92.4	0	0	0	116.2	F962 R966 I969 M980 Y986 F991 C992	F962-F989 HydrophobicContact CD1-CB 3.73Å; F962-F989 HydrophobicContact CE1-CB 4.19Å; F962-F989 WeakPolarHBondContact CE1-O 3.22Å; F962-F989 HydrophobicContact CG-CB 4.32Å; R966-F989 HydrophobicContact CB-CD2 4.45Å; R966-F989 HydrophobicContact CB-CE2 3.77Å; R966-F989 HydrophobicContact CB-CZ 4.45Å; R966-F989 HydrophobicContact CG-CD2 3.75Å; R966-F989 HydrophobicContact CG-CE2 3.54Å; I969-F989 HydrophobicContact CD1-CD1 4.29Å; I969-F989 HydrophobicContact CD1-CE1 3.35Å; I969-F989 HydrophobicContact CD1-CZ 3.73Å; M980-F989 HydrophobicContact CE-CE1 4.4Å; M980-F989 HydrophobicContact SD-CE1 3.67Å; M980-F989 HydrophobicContact SD-CZ 3.83Å; Y986-F989 VanDerWaalsContact O-CD2 3.25Å; Y986-F989 WeakPolarHBondContact O-CD2 3.11Å; Y986-F989 WeakPolarHBondContact O-CE2 3.37Å; F989-F991 AromaticContact CD1-CE1 3.77Å; F989-F991 HydrophobicContact CD1-CE1 3.77Å; F989-F991 AromaticContact CD1-CZ 3.67Å; F989-F991 HydrophobicContact CD1-CZ 3.67Å; F989-F991 HydrophobicContact CE1-CE1 4.27Å; F989-F991 HydrophobicContact CE1-CZ 4.06Å; F989-F991 PolarHBondContact O-N 2.78Å; F989-C992 WeakPolarHBondContact O-CB 3.47Å; F989-C992 PolarHBondContact O-N 2.83Å
990	Y	83.6	Confident	82.3	Confident	126 Å²	126	47.2 Å²	47.2	49%	0.494	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59.1	-17.8	-169.6	-61.8	-65.3	0	0	0	115.9	F962 H988 C992 Y993 F1050	F962-Y990 HydrophobicContact CE2-CD1 4.16Å; F962-Y990 HydrophobicContact CE2-CE1 4.38Å; F962-Y990 HydrophobicContact CZ-CD1 4.33Å; H988-Y990 HydrophobicContact CB-CD1 4.2Å; H988-Y990 HydrophobicContact CB-CD2 3.77Å; H988-Y990 HydrophobicContact CB-CE1 3.79Å; H988-Y990 HydrophobicContact CB-CE2 3.32Å; H988-Y990 HydrophobicContact CB-CG 4.19Å; H988-Y990 AromaticContact CG-CE2 3.96Å; H988-Y990 AromaticContact CG-CZ 3.69Å; H988-Y990 PolarHBondContact O-N 2.84Å; Y990-C992 PolarHBondContact O-N 3.36Å; Y990-Y993 WeakPolarHBondContact O-CB 3.31Å; Y990-Y993 PolarHBondContact O-N 2.94Å; Y990-F1050 HydrophobicContact CD2-CE1 4.49Å; Y990-F1050 HydrophobicContact CD2-CZ 4.12Å; Y990-F1050 HydrophobicContact CG-CZ 4.49Å
991	F	86.6	Confident	83.1	Confident	17 Å²	17	47.1 Å²	47.1	8%	0.075	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.5	-31.3	170.2	63.4	-96.3	0	0	0	112.4	M980 F989 Y993 W995 V1036 F1050 I1053 I1054	M980-F991 HydrophobicContact CE-CZ 4.19Å; F989-F991 AromaticContact CD1-CE1 3.77Å; F989-F991 HydrophobicContact CD1-CE1 3.77Å; F989-F991 AromaticContact CD1-CZ 3.67Å; F989-F991 HydrophobicContact CD1-CZ 3.67Å; F989-F991 HydrophobicContact CE1-CE1 4.27Å; F989-F991 HydrophobicContact CE1-CZ 4.06Å; F989-F991 PolarHBondContact O-N 2.78Å; F991-Y993 VanDerWaalsContact C-N 3.34Å; F991-W995 HydrophobicContact CD2-CH2 4.07Å; F991-W995 HydrophobicContact CD2-CZ2 4.44Å; F991-W995 HydrophobicContact CD2-CZ3 4.37Å; F991-W995 HydrophobicContact CE2-CH2 4.29Å; F991-W995 HydrophobicContact CE2-CZ3 4.39Å; F991-V1036 HydrophobicContact CE2-CG2 3.8Å; F991-V1036 HydrophobicContact CZ-CG2 4.35Å; F991-F1050 HydrophobicContact CD1-CD2 4.14Å; F991-F1050 AromaticContact CD1-CE2 3.75Å; F991-F1050 HydrophobicContact CD1-CE2 3.75Å; F991-F1050 HydrophobicContact CE1-CD2 4.48Å; F991-F1050 HydrophobicContact CE1-CE2 4.25Å; F991-I1053 HydrophobicContact CB-CG2 4.44Å; F991-I1053 HydrophobicContact CD1-CG2 3.83Å; F991-I1053 HydrophobicContact CD2-CG2 4.07Å; F991-I1053 HydrophobicContact CE1-CG2 3.99Å; F991-I1053 HydrophobicContact CE2-CG2 4.21Å; F991-I1053 HydrophobicContact CG-CG2 3.89Å; F991-I1053 HydrophobicContact CZ-CG2 4.17Å; F991-I1054 HydrophobicContact CB-CG1 3.67Å
992	C	92.1	Very high	83.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-79.9	-5.9	173.1	-62.1	0	0	0	0	114.3	F962 F989 Y990 R994 W995 F996	F962-C992 HydrophobicContact CE1-CB 4.17Å; F989-C992 WeakPolarHBondContact O-CB 3.47Å; F989-C992 PolarHBondContact O-N 2.83Å; Y990-C992 PolarHBondContact O-N 3.36Å; C992-R994 PolarHBondContact O-N 3.25Å; C992-W995 HydrophobicContact CB-CD2 4.45Å; C992-W995 HydrophobicContact CB-CE3 4.03Å; C992-W995 WeakPolarHBondContact O-CB 3.35Å; C992-W995 PolarHBondContact O-N 3.03Å; C992-W995 VanDerWaalsContact O-N 3.14Å; C992-W995 VanDerWaalsContact SG-CE3 3.55Å; C992-W995 VanDerWaalsContact SG-CZ3 3.59Å; C992-F996 HydrophobicContact CB-CD2 4Å; C992-F996 HydrophobicContact CB-CE2 3.49Å; C992-F996 VanDerWaalsContact CB-CE2 3.49Å; C992-F996 HydrophobicContact CB-CZ 3.98Å; C992-F996 WeakPolarHBondContact O-CD2 3.33Å; C992-F996 PolarHBondContact O-N 2.8Å; C992-F996 VanDerWaalsContact O-N 3.11Å
993	Y	92.4	Very high	84.5	Confident	80 Å²	80	36.9 Å²	36.9	31%	0.314	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-48.7	-172.8	-174.1	-85	0	0	0	111.6	M958 F962 Y990 F991 W995 F996 L997	M958-Y993 HydrophobicContact CE-CD1 4.44Å; M958-Y993 HydrophobicContact CE-CD2 3.84Å; M958-Y993 HydrophobicContact CE-CE1 4.42Å; M958-Y993 HydrophobicContact CE-CE2 3.82Å; M958-Y993 HydrophobicContact CE-CG 4.15Å; M958-Y993 HydrophobicContact CG-CD2 3.75Å; M958-Y993 HydrophobicContact CG-CE2 3.79Å; M958-Y993 HydrophobicContact SD-CD2 4.04Å; M958-Y993 HydrophobicContact SD-CE2 4.39Å; F962-Y993 HydrophobicContact CE2-CD2 4.2Å; F962-Y993 AromaticContact CZ-CD2 3.88Å; F962-Y993 HydrophobicContact CZ-CD2 3.88Å; F962-Y993 HydrophobicContact CZ-CG 4.43Å; Y990-Y993 WeakPolarHBondContact O-CB 3.31Å; Y990-Y993 PolarHBondContact O-N 2.94Å; F991-Y993 VanDerWaalsContact C-N 3.34Å; Y993-W995 VanDerWaalsContact C-N 3.26Å; Y993-W995 PolarHBondContact O-N 3.11Å; Y993-F996 PolarHBondContact O-N 3.19Å; Y993-L997 HydrophobicContact CE1-CD2 4.07Å; Y993-L997 VanDerWaalsContact O-CB 3.28Å; Y993-L997 WeakPolarHBondContact O-CB 3.21Å; Y993-L997 PolarHBondContact O-N 3.42Å
994	R	94.4	Very high	85.9	Confident	80 Å²	80	34.6 Å²	34.6	30%	0.302	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-34.2	177.4	-171.2	173.6	69.7	-147.5	-3	112	C992 L998 R1002 E1003 N1058	C992-R994 PolarHBondContact O-N 3.25Å; R994-L998 HydrophobicContact CG-CD1 3.93Å; R994-L998 PolarHBondContact O-N 3.13Å; R994-L998 VanDerWaalsContact O-N 3.16Å; R994-R1002 HydrophobicContact CG-CB 4.12Å; R994-R1002 HydrophobicContact CG-CG 4.4Å; R994-E1003 IonicContact CZ-OE1 3.8Å; R994-E1003 IonicContact CZ-OE2 3.12Å; R994-E1003 IonicContact NE-OE1 3.5Å; R994-E1003 PolarHBondContact NE-OE1 3.46Å; R994-E1003 IonicContact NE-OE2 2.77Å; R994-E1003 IonicContact NH2-OE1 2.71Å; R994-E1003 PolarHBondContact NH2-OE1 3.49Å; R994-E1003 IonicContact NH2-OE2 2.72Å; R994-E1003 PolarHBondContact NH2-OE2 3.2Å; R994-N1058 VanDerWaalsContact CZ-OD1 3.31Å; R994-N1058 PolarHBondContact NH1-OD1 3.17Å; R994-N1058 PolarHBondContact NH2-OD1 3.1Å
995	W	96.4	Very high	87.5	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-49	-179.3	-57.8	-3.2	0	0	0	111.6	F991 C992 Y993 D999 F1000 E1003 A1032 L1035 V1036 F1057	F991-W995 HydrophobicContact CD2-CH2 4.07Å; F991-W995 HydrophobicContact CD2-CZ2 4.44Å; F991-W995 HydrophobicContact CD2-CZ3 4.37Å; F991-W995 HydrophobicContact CE2-CH2 4.29Å; F991-W995 HydrophobicContact CE2-CZ3 4.39Å; C992-W995 HydrophobicContact CB-CD2 4.45Å; C992-W995 HydrophobicContact CB-CE3 4.03Å; C992-W995 WeakPolarHBondContact O-CB 3.35Å; C992-W995 PolarHBondContact O-N 3.03Å; C992-W995 VanDerWaalsContact O-N 3.14Å; C992-W995 VanDerWaalsContact SG-CE3 3.55Å; C992-W995 VanDerWaalsContact SG-CZ3 3.59Å; Y993-W995 VanDerWaalsContact C-N 3.26Å; Y993-W995 PolarHBondContact O-N 3.11Å; W995-D999 VanDerWaalsContact O-CA 3.31Å; W995-D999 WeakPolarHBondContact O-CA 3.31Å; W995-D999 PolarHBondContact O-N 3.34Å; W995-D999 VanDerWaalsContact O-N 3.07Å; W995-F1000 HydrophobicContact CB-CD1 3.73Å; W995-F1000 HydrophobicContact CB-CE1 3.59Å; W995-F1000 HydrophobicContact CB-CZ 4.24Å; W995-F1000 HydrophobicContact CD2-CD1 4.32Å; W995-F1000 HydrophobicContact CD2-CE1 4.05Å; W995-F1000 AromaticContact CE3-CE1 3.91Å; W995-F1000 HydrophobicContact CE3-CE1 3.91Å; W995-F1000 AromaticContact CG-CD1 3.99Å; W995-F1000 HydrophobicContact CG-CD1 3.99Å; W995-F1000 AromaticContact CG-CE1 3.97Å; W995-F1000 HydrophobicContact CG-CE1 3.97Å; W995-F1000 PolarHBondContact O-N 2.93Å; W995-E1003 HydrophobicContact CG-CG 4.2Å; W995-E1003 PolarHBondContact NE1-OE2 3.29Å; W995-A1032 HydrophobicContact CE3-CB 3.79Å; W995-A1032 HydrophobicContact CZ3-CB 4.09Å; W995-L1035 HydrophobicContact CD2-CD1 4.45Å; W995-L1035 HydrophobicContact CE3-CD1 4.23Å; W995-L1035 HydrophobicContact CH2-CB 4.04Å; W995-L1035 HydrophobicContact CH2-CD1 4.27Å; W995-L1035 HydrophobicContact CZ2-CD1 4.49Å; W995-L1035 HydrophobicContact CZ3-CB 4.08Å; W995-L1035 HydrophobicContact CZ3-CD1 4.13Å; W995-V1036 HydrophobicContact CH2-CG2 4.31Å; W995-V1036 HydrophobicContact CZ3-CG2 4.27Å; W995-F1057 AromaticContact CH2-CD1 3.83Å; W995-F1057 HydrophobicContact CH2-CD1 3.83Å; W995-F1057 HydrophobicContact CH2-CD2 4.17Å; W995-F1057 AromaticContact CH2-CE1 3.84Å; W995-F1057 HydrophobicContact CH2-CE1 3.84Å; W995-F1057 HydrophobicContact CH2-CE2 4.19Å; W995-F1057 HydrophobicContact CH2-CG 4.02Å; W995-F1057 HydrophobicContact CH2-CZ 4.04Å; W995-F1057 HydrophobicContact CZ2-CB 3.95Å; W995-F1057 AromaticContact CZ2-CD1 3.52Å; W995-F1057 HydrophobicContact CZ2-CD1 3.52Å; W995-F1057 HydrophobicContact CZ2-CD2 4.13Å; W995-F1057 HydrophobicContact CZ2-CE1 4.02Å; W995-F1057 AromaticContact CZ2-CG 3.6Å; W995-F1057 HydrophobicContact CZ2-CG 3.6Å
996	F	95.8	Very high	89.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-76.1	-31.6	178.7	-58.3	-42.3	0	0	0	113	N951 M958 H961 F962 M965 C992 Y993 L998 V1028 L1029 A1032	N951-F996 PolarHBondContact ND2-O 2.89Å; M958-F996 HydrophobicContact CE-CB 4.11Å; M958-F996 HydrophobicContact SD-CB 3.78Å; M958-F996 HydrophobicContact SD-CD2 3.94Å; M958-F996 HydrophobicContact SD-CG 4.37Å; H961-F996 HydrophobicContact CB-CD2 3.82Å; H961-F996 HydrophobicContact CB-CE2 3.93Å; H961-F996 HydrophobicContact CB-CG 4.3Å; F962-F996 HydrophobicContact CD1-CD2 4.38Å; F962-F996 HydrophobicContact CD1-CE2 4.11Å; F962-F996 HydrophobicContact CE1-CD2 4.05Å; F962-F996 HydrophobicContact CE1-CE2 4.09Å; M965-F996 HydrophobicContact CG-CE2 4.02Å; M965-F996 HydrophobicContact CG-CZ 3.68Å; M965-F996 HydrophobicContact SD-CZ 3.98Å; C992-F996 HydrophobicContact CB-CD2 4Å; C992-F996 HydrophobicContact CB-CE2 3.49Å; C992-F996 VanDerWaalsContact CB-CE2 3.49Å; C992-F996 HydrophobicContact CB-CZ 3.98Å; C992-F996 WeakPolarHBondContact O-CD2 3.33Å; C992-F996 PolarHBondContact O-N 2.8Å; C992-F996 VanDerWaalsContact O-N 3.11Å; Y993-F996 PolarHBondContact O-N 3.19Å; F996-L998 VanDerWaalsContact C-N 3.32Å; F996-L998 PolarHBondContact O-N 2.93Å; F996-V1028 HydrophobicContact CD1-CB 4.29Å; F996-V1028 HydrophobicContact CD1-CG2 4.17Å; F996-V1028 HydrophobicContact CE1-CB 4.48Å; F996-V1028 HydrophobicContact CE1-CG2 4.41Å; F996-L1029 HydrophobicContact CE1-CD2 3.9Å; F996-L1029 HydrophobicContact CE2-CD2 4.46Å; F996-L1029 HydrophobicContact CZ-CD2 3.8Å; F996-A1032 HydrophobicContact CE1-CB 3.59Å; F996-A1032 HydrophobicContact CZ-CB 3.65Å
997	L	95.4	Very high	90.8	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-38.3	177	-171.9	72.5	0	0	0	111.9	M948 F952 M958 Y993	M948-L997 WeakPolarHBondContact CE-O 3.36Å; F952-L997 HydrophobicContact CD1-CD1 3.57Å; F952-L997 HydrophobicContact CD1-CG 4.49Å; F952-L997 HydrophobicContact CE1-CD1 3.77Å; F952-L997 HydrophobicContact CE1-CG 4.22Å; F952-L997 HydrophobicContact CG-CD1 4.13Å; F952-L997 HydrophobicContact CZ-CD1 4.44Å; M958-L997 HydrophobicContact CE-CB 4.16Å; M958-L997 HydrophobicContact CE-CD1 4.49Å; Y993-L997 HydrophobicContact CE1-CD2 4.07Å; Y993-L997 VanDerWaalsContact O-CB 3.28Å; Y993-L997 WeakPolarHBondContact O-CB 3.21Å; Y993-L997 PolarHBondContact O-N 3.42Å
998	L	96.3	Very high	92.7	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	14.3	-168.1	-51.8	178.2	0	0	0	114.2	D922 R994 F996 F1000 K1001 R1002	D922-L998 HydrophobicContact CB-CD2 4.42Å; R994-L998 HydrophobicContact CG-CD1 3.93Å; R994-L998 PolarHBondContact O-N 3.13Å; R994-L998 VanDerWaalsContact O-N 3.16Å; F996-L998 VanDerWaalsContact C-N 3.32Å; F996-L998 PolarHBondContact O-N 2.93Å; L998-F1000 VanDerWaalsContact C-N 3.3Å; L998-F1000 PolarHBondContact O-N 2.89Å; L998-K1001 HydrophobicContact CB-CB 4.18Å; L998-K1001 WeakPolarHBondContact O-CB 3.38Å; L998-K1001 PolarHBondContact O-N 3.17Å; L998-R1002 HydrophobicContact CD1-CB 4.42Å; L998-R1002 HydrophobicContact CD1-CG 3.5Å; L998-R1002 VanDerWaalsContact CD1-CG 3.5Å
999	D	96.6	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.1	56.4	-170.9	-77.5	-16.1	0	0	0	112.4	R947 M948 W995 K1001 W1013 I1016	R947-D999 IonicContact CZ-OD2 2.64Å; R947-D999 IonicContact NH1-OD1 3.25Å; R947-D999 PolarHBondContact NH1-OD1 3.25Å; R947-D999 IonicContact NH1-OD2 3.14Å; R947-D999 PolarHBondContact NH1-OD2 3.04Å; R947-D999 IonicContact NH2-OD2 2.69Å; R947-D999 PolarHBondContact NH2-OD2 3.34Å; M948-D999 HydrophobicContact CE-CB 4.42Å; W995-D999 VanDerWaalsContact O-CA 3.31Å; W995-D999 WeakPolarHBondContact O-CA 3.31Å; W995-D999 PolarHBondContact O-N 3.34Å; W995-D999 VanDerWaalsContact O-N 3.07Å; D999-K1001 PolarHBondContact O-N 2.93Å; D999-W1013 HydrophobicContact CB-CZ2 4.5Å; D999-W1013 PolarHBondContact O-NE1 3.31Å; D999-I1016 HydrophobicContact CB-CD1 4.28Å
1000	F	97.9	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	9.1	177.8	-48.9	-91	0	0	0	116.5	W995 L998 R1002 E1003 L1004 V1012 V1028 I1031 A1032 L1035	W995-F1000 HydrophobicContact CB-CD1 3.73Å; W995-F1000 HydrophobicContact CB-CE1 3.59Å; W995-F1000 HydrophobicContact CB-CZ 4.24Å; W995-F1000 HydrophobicContact CD2-CD1 4.32Å; W995-F1000 HydrophobicContact CD2-CE1 4.05Å; W995-F1000 AromaticContact CE3-CE1 3.91Å; W995-F1000 HydrophobicContact CE3-CE1 3.91Å; W995-F1000 AromaticContact CG-CD1 3.99Å; W995-F1000 HydrophobicContact CG-CD1 3.99Å; W995-F1000 AromaticContact CG-CE1 3.97Å; W995-F1000 HydrophobicContact CG-CE1 3.97Å; W995-F1000 PolarHBondContact O-N 2.93Å; L998-F1000 VanDerWaalsContact C-N 3.3Å; L998-F1000 PolarHBondContact O-N 2.89Å; F1000-R1002 PolarHBondContact O-N 2.92Å; F1000-E1003 HydrophobicContact CB-CG 4.34Å; F1000-E1003 HydrophobicContact CD1-CG 4.45Å; F1000-E1003 PolarHBondContact O-N 2.75Å; F1000-L1004 HydrophobicContact CB-CD1 3.65Å; F1000-L1004 HydrophobicContact CB-CG 4.14Å; F1000-L1004 PolarHBondContact O-N 3.06Å; F1000-V1012 HydrophobicContact CD2-CG1 4.27Å; F1000-V1028 HydrophobicContact CE2-CB 4.21Å; F1000-V1028 HydrophobicContact CE2-CG1 4.4Å; F1000-V1028 WeakPolarHBondContact CZ-O 3.1Å; F1000-I1031 HydrophobicContact CD1-CG2 4.25Å; F1000-I1031 HydrophobicContact CD2-CG2 4.06Å; F1000-I1031 HydrophobicContact CE1-CB 4.44Å; F1000-I1031 HydrophobicContact CE1-CG2 3.84Å; F1000-I1031 HydrophobicContact CE2-CB 3.84Å; F1000-I1031 HydrophobicContact CE2-CD1 4.31Å; F1000-I1031 HydrophobicContact CE2-CG2 3.66Å; F1000-I1031 HydrophobicContact CG-CG2 4.37Å; F1000-I1031 HydrophobicContact CZ-CB 3.72Å; F1000-I1031 HydrophobicContact CZ-CG2 3.55Å; F1000-A1032 HydrophobicContact CE1-CB 4.24Å; F1000-A1032 HydrophobicContact CZ-CB 4.08Å; F1000-L1035 HydrophobicContact CD1-CD1 3.66Å; F1000-L1035 HydrophobicContact CE1-CD1 3.62Å
1001	K	96.9	Very high	95.7	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.013	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-19.4	-179.4	174.5	61.9	-166.2	80.5	0	115.9	D886 D922 P926 L998 D999 Y1006 V1009 W1013	D886-K1001 VanDerWaalsContact OD2-CE 3.3Å; D886-K1001 WeakPolarHBondContact OD2-CE 3.34Å; D886-K1001 IonicContact OD2-NZ 3.03Å; D886-K1001 PolarHBondContact OD2-NZ 3.48Å; D922-K1001 HydrophobicContact CB-CG 4.16Å; P926-K1001 HydrophobicContact CG-CD 3.63Å; L998-K1001 HydrophobicContact CB-CB 4.18Å; L998-K1001 WeakPolarHBondContact O-CB 3.38Å; L998-K1001 PolarHBondContact O-N 3.17Å; D999-K1001 PolarHBondContact O-N 2.93Å; K1001-Y1006 WeakPolarHBondContact CE-OH 3.4Å; K1001-V1009 HydrophobicContact CD-CG1 3.9Å; K1001-V1009 HydrophobicContact CD-CG2 4.09Å; K1001-W1013 HydrophobicContact CB-CZ2 4.4Å
1002	R	96.1	Very high	96.2	Very high	64 Å²	64	24.5 Å²	24.5	24%	0.242	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.4	179.6	-69.3	-74.3	165.8	-135.5	7.5	113.8	D886 D922 R994 L998 F1000	D886-R1002 IonicContact OD1-CZ 2.69Å; D886-R1002 IonicContact OD1-NH1 3.7Å; D886-R1002 PolarHBondContact OD1-NH1 2.8Å; D886-R1002 IonicContact OD1-NH2 2.75Å; D886-R1002 PolarHBondContact OD1-NH2 3.11Å; D886-R1002 IonicContact OD2-NH1 3.38Å; D922-R1002 IonicContact OD1-CZ 2.71Å; D922-R1002 IonicContact OD1-NH2 3.31Å; D922-R1002 PolarHBondContact OD1-NH2 3.16Å; D922-R1002 IonicContact OD2-CZ 3.73Å; D922-R1002 VanDerWaalsContact OD2-CZ 3.26Å; D922-R1002 IonicContact OD2-NE 3.48Å; D922-R1002 PolarHBondContact OD2-NE 2.86Å; D922-R1002 IonicContact OD2-NH2 3.48Å; D922-R1002 PolarHBondContact OD2-NH2 3.03Å; R994-R1002 HydrophobicContact CG-CB 4.12Å; R994-R1002 HydrophobicContact CG-CG 4.4Å; L998-R1002 HydrophobicContact CD1-CB 4.42Å; L998-R1002 HydrophobicContact CD1-CG 3.5Å; L998-R1002 VanDerWaalsContact CD1-CG 3.5Å; F1000-R1002 PolarHBondContact O-N 2.92Å
1003	E	96.3	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-6.7	179	-26.8	-55.2	127.6	0	0	112.3	R994 W995 F1000 E1062 H1064	R994-E1003 IonicContact CZ-OE1 3.8Å; R994-E1003 IonicContact CZ-OE2 3.12Å; R994-E1003 IonicContact NE-OE1 3.5Å; R994-E1003 PolarHBondContact NE-OE1 3.46Å; R994-E1003 IonicContact NE-OE2 2.77Å; R994-E1003 IonicContact NH2-OE1 2.71Å; R994-E1003 PolarHBondContact NH2-OE1 3.49Å; R994-E1003 IonicContact NH2-OE2 2.72Å; R994-E1003 PolarHBondContact NH2-OE2 3.2Å; W995-E1003 HydrophobicContact CG-CG 4.2Å; W995-E1003 PolarHBondContact NE1-OE2 3.29Å; F1000-E1003 HydrophobicContact CB-CG 4.34Å; F1000-E1003 HydrophobicContact CD1-CG 4.45Å; F1000-E1003 PolarHBondContact O-N 2.75Å; E1003-E1062 WeakPolarHBondContact O-CA 3.27Å; E1003-E1062 PolarHBondContact O-N 3.47Å; E1003-H1064 PolarHBondContact O-CD2 3.38Å; E1003-H1064 VanDerWaalsContact O-CD2 3.27Å
1004	L	97.3	Very high	96.8	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.047	10%	0.1	C	C	.	.	S	Bend	trans	-137.1	144.8	-165.8	-59.3	177.2	0	0	0	111.8	F1000 D1008 V1009 V1012 H1064 T1066	F1000-L1004 HydrophobicContact CB-CD1 3.65Å; F1000-L1004 HydrophobicContact CB-CG 4.14Å; F1000-L1004 PolarHBondContact O-N 3.06Å; L1004-D1008 HydrophobicContact CB-CB 4.3Å; L1004-V1009 HydrophobicContact CB-CG2 3.66Å; L1004-V1009 WeakPolarHBondContact O-CG2 3.2Å; L1004-V1012 HydrophobicContact CD1-CB 4.07Å; L1004-V1012 HydrophobicContact CD1-CG1 4.22Å; L1004-V1012 HydrophobicContact CD1-CG2 3.71Å; L1004-H1064 HydrophobicContact CD2-CB 4.28Å; L1004-T1066 WeakPolarHBondContact CD2-OG1 3.39Å
1005	V	96.1	Very high	97	Very high	60 Å²	60	16.9 Å²	16.9	36%	0.364	9%	0.085	S	C	.	.			trans	-70.7	157.2	170.8	-62.1	0	0	0	0	111.5	D1007 D1008 V1009 E1062	V1005-D1007 PolarHBondContact O-N 3.07Å; V1005-D1008 HydrophobicContact CG2-CB 4Å; V1005-D1008 WeakPolarHBondContact O-CA 3.49Å; V1005-D1008 WeakPolarHBondContact O-CB 3.29Å; V1005-D1008 PolarHBondContact O-N 3.32Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; V1005-V1009 PolarHBondContact O-N 3.24Å; V1005-E1062 HydrophobicContact CG1-CB 3.85Å; V1005-E1062 HydrophobicContact CG1-CG 4.24Å
1006	Y	95.9	Very high	97	Very high	19 Å²	19	17.3 Å²	17.3	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-51.6	-46.2	-171.2	-97.2	-84.4	0	0	0	115.2	D886 Y889 A925 P926 V929 K1001 D1008 V1009 F1010	D886-Y1006 HydrophobicContact CB-CE2 4.47Å; D886-Y1006 VanDerWaalsContact OD2-CE2 3.25Å; D886-Y1006 WeakPolarHBondContact OD2-CE2 3.47Å; D886-Y1006 VanDerWaalsContact OD2-CZ 3.28Å; D886-Y1006 PolarHBondContact OD2-OH 3.35Å; Y889-Y1006 HydrophobicContact CD1-CD2 4.1Å; Y889-Y1006 AromaticContact CD1-CE2 3.9Å; Y889-Y1006 HydrophobicContact CD1-CE2 3.9Å; Y889-Y1006 AromaticContact CD2-CD2 3.53Å; Y889-Y1006 HydrophobicContact CD2-CD2 3.53Å; Y889-Y1006 AromaticContact CD2-CE2 3.96Å; Y889-Y1006 HydrophobicContact CD2-CE2 3.96Å; Y889-Y1006 HydrophobicContact CD2-CG 4.25Å; Y889-Y1006 HydrophobicContact CE1-CD1 4.39Å; Y889-Y1006 HydrophobicContact CE1-CD2 4.14Å; Y889-Y1006 HydrophobicContact CE1-CE1 4.48Å; Y889-Y1006 HydrophobicContact CE1-CE2 4.27Å; Y889-Y1006 HydrophobicContact CE1-CG 4.21Å; Y889-Y1006 AromaticContact CE2-CD2 3.57Å; Y889-Y1006 HydrophobicContact CE2-CD2 3.57Å; Y889-Y1006 HydrophobicContact CE2-CE2 4.32Å; Y889-Y1006 AromaticContact CE2-CG 3.82Å; Y889-Y1006 HydrophobicContact CE2-CG 3.82Å; Y889-Y1006 AromaticContact CG-CD2 3.81Å; Y889-Y1006 HydrophobicContact CG-CD2 3.81Å; Y889-Y1006 AromaticContact CG-CE2 3.73Å; Y889-Y1006 HydrophobicContact CG-CE2 3.73Å; Y889-Y1006 AromaticContact CZ-CD2 3.89Å; Y889-Y1006 AromaticContact CZ-CG 3.79Å; A925-Y1006 WeakPolarHBondContact CB-OH 3.34Å; P926-Y1006 HydrophobicContact CB-CE1 4.41Å; P926-Y1006 HydrophobicContact CG-CE1 4.17Å; V929-Y1006 HydrophobicContact CB-CE1 4.43Å; V929-Y1006 HydrophobicContact CG2-CE1 3.97Å; K1001-Y1006 WeakPolarHBondContact CE-OH 3.4Å; Y1006-D1008 VanDerWaalsContact C-N 3.28Å; Y1006-D1008 PolarHBondContact O-N 3.31Å; Y1006-V1009 WeakPolarHBondContact O-CB 3.41Å; Y1006-V1009 PolarHBondContact O-N 3.11Å; Y1006-F1010 AromaticContact CD1-CE1 3.72Å; Y1006-F1010 HydrophobicContact CD1-CE1 3.72Å; Y1006-F1010 AromaticContact CD1-CZ 3.61Å; Y1006-F1010 HydrophobicContact CD1-CZ 3.61Å; Y1006-F1010 HydrophobicContact CE1-CE1 4.42Å; Y1006-F1010 HydrophobicContact CG-CZ 4.38Å; Y1006-F1010 WeakPolarHBondContact O-CD1 3.39Å; Y1006-F1010 VanDerWaalsContact O-CD2 3.22Å; Y1006-F1010 WeakPolarHBondContact O-CD2 3.29Å; Y1006-F1010 WeakPolarHBondContact O-CG 3.3Å; Y1006-F1010 PolarHBondContact O-N 3.15Å
1007	D	95.4	Very high	97.1	Very high	100 Å²	100	17.9 Å²	17.9	54%	0.535	9%	0.09	S	C	.	.	H	α-helix	trans	-63.6	-32.9	178.6	-78.1	-59.1	0	0	0	114	R623 V1005 L1011	R623-D1007 IonicContact NH1-OD1 2.8Å; V1005-D1007 PolarHBondContact O-N 3.07Å; D1007-L1011 PolarHBondContact O-N 3.34Å
1008	D	97.6	Very high	97.1	Very high	35 Å²	35	16.9 Å²	16.9	19%	0.187	9%	0.085	C	C	.	.	H	α-helix	trans	-78.6	-35	176.2	-85.3	-15.6	0	0	0	111.7	L1004 V1005 Y1006 F1010 L1011 V1012 T1066	L1004-D1008 HydrophobicContact CB-CB 4.3Å; V1005-D1008 HydrophobicContact CG2-CB 4Å; V1005-D1008 WeakPolarHBondContact O-CA 3.49Å; V1005-D1008 WeakPolarHBondContact O-CB 3.29Å; V1005-D1008 PolarHBondContact O-N 3.32Å; Y1006-D1008 VanDerWaalsContact C-N 3.28Å; Y1006-D1008 PolarHBondContact O-N 3.31Å; D1008-F1010 VanDerWaalsContact C-N 3.32Å; D1008-L1011 PolarHBondContact O-N 3.48Å; D1008-V1012 VanDerWaalsContact O-CB 3.3Å; D1008-V1012 WeakPolarHBondContact O-CB 3.47Å; D1008-V1012 VanDerWaalsContact O-CG2 3.29Å; D1008-V1012 WeakPolarHBondContact O-CG2 3.29Å; D1008-V1012 PolarHBondContact O-N 2.69Å; D1008-T1066 HydrophobicContact CB-CG2 3.83Å; D1008-T1066 WeakPolarHBondContact CB-OG1 3.44Å; D1008-T1066 WeakPolarHBondContact OD1-CB 3.5Å; D1008-T1066 WeakPolarHBondContact OD2-CB 3.33Å; D1008-T1066 PolarHBondContact OD2-OG1 3.3Å
1009	V	98.2	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-46.6	169.3	174.2	0	0	0	0	110.1	P926 K1001 L1004 V1005 Y1006 V1012 W1013	P926-V1009 HydrophobicContact CB-CG1 4.45Å; P926-V1009 HydrophobicContact CG-CG1 4.05Å; K1001-V1009 HydrophobicContact CD-CG1 3.9Å; K1001-V1009 HydrophobicContact CD-CG2 4.09Å; L1004-V1009 HydrophobicContact CB-CG2 3.66Å; L1004-V1009 WeakPolarHBondContact O-CG2 3.2Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; V1005-V1009 PolarHBondContact O-N 3.24Å; Y1006-V1009 WeakPolarHBondContact O-CB 3.41Å; Y1006-V1009 PolarHBondContact O-N 3.11Å; V1009-V1012 PolarHBondContact O-N 2.89Å; V1009-W1013 HydrophobicContact CG1-CD2 4.09Å; V1009-W1013 HydrophobicContact CG1-CG 4.25Å; V1009-W1013 HydrophobicContact CG1-CZ2 4.33Å; V1009-W1013 WeakPolarHBondContact O-CB 3.47Å; V1009-W1013 PolarHBondContact O-N 3.43Å
1010	F	98	Very high	97	Very high	6 Å²	6	22 Å²	22	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-57.5	-52.3	176.9	-57	-30.1	0	0	0	111.1	W627 P926 V929 I930 Y1006 D1008 V1012 W1013 E1014	W627-F1010 AromaticContact CH2-CD1 3.52Å; W627-F1010 HydrophobicContact CH2-CD1 3.52Å; W627-F1010 HydrophobicContact CH2-CE1 4.04Å; W627-F1010 HydrophobicContact CH2-CG 4.34Å; W627-F1010 HydrophobicContact CZ2-CB 4.01Å; W627-F1010 AromaticContact CZ2-CD1 3.79Å; W627-F1010 HydrophobicContact CZ2-CD1 3.79Å; W627-F1010 HydrophobicContact CZ2-CG 4.15Å; P926-F1010 HydrophobicContact CB-CD1 4.38Å; P926-F1010 HydrophobicContact CB-CE1 4.02Å; V929-F1010 HydrophobicContact CG1-CZ 3.85Å; I930-F1010 HydrophobicContact CD1-CD1 4.32Å; I930-F1010 HydrophobicContact CD1-CD2 4.03Å; I930-F1010 HydrophobicContact CD1-CE1 3.96Å; I930-F1010 HydrophobicContact CD1-CE2 3.68Å; I930-F1010 HydrophobicContact CD1-CG 4.33Å; I930-F1010 HydrophobicContact CD1-CZ 3.63Å; I930-F1010 HydrophobicContact CG1-CD1 3.96Å; I930-F1010 HydrophobicContact CG1-CE1 3.55Å; I930-F1010 HydrophobicContact CG1-CE2 4.24Å; I930-F1010 HydrophobicContact CG1-CG 4.42Å; I930-F1010 HydrophobicContact CG1-CZ 3.71Å; Y1006-F1010 AromaticContact CD1-CE1 3.72Å; Y1006-F1010 HydrophobicContact CD1-CE1 3.72Å; Y1006-F1010 AromaticContact CD1-CZ 3.61Å; Y1006-F1010 HydrophobicContact CD1-CZ 3.61Å; Y1006-F1010 HydrophobicContact CE1-CE1 4.42Å; Y1006-F1010 HydrophobicContact CG-CZ 4.38Å; Y1006-F1010 WeakPolarHBondContact O-CD1 3.39Å; Y1006-F1010 VanDerWaalsContact O-CD2 3.22Å; Y1006-F1010 WeakPolarHBondContact O-CD2 3.29Å; Y1006-F1010 WeakPolarHBondContact O-CG 3.3Å; Y1006-F1010 PolarHBondContact O-N 3.15Å; D1008-F1010 VanDerWaalsContact C-N 3.32Å; F1010-V1012 PolarHBondContact O-N 2.8Å; F1010-W1013 PolarHBondContact O-N 3.09Å; F1010-E1014 WeakPolarHBondContact O-CB 3.45Å; F1010-E1014 WeakPolarHBondContact O-CG 3.36Å; F1010-E1014 PolarHBondContact O-N 2.92Å
1011	L	97.6	Very high	96.7	Very high	26 Å²	26	25.7 Å²	25.7	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-40.9	178.9	178.4	61.6	0	0	0	112.8	D1007 D1008 T1015 K1067 L1070	D1007-L1011 PolarHBondContact O-N 3.34Å; D1008-L1011 PolarHBondContact O-N 3.48Å; L1011-T1015 WeakPolarHBondContact O-CB 3.48Å; L1011-T1015 PolarHBondContact O-N 3.31Å; L1011-T1015 PolarHBondContact O-OG1 2.85Å; L1011-K1067 HydrophobicContact CD2-CG 4.45Å; L1011-L1070 HydrophobicContact CD2-CD1 4.03Å; L1011-L1070 HydrophobicContact CG-CD1 3.78Å
1012	V	98.4	Very high	96.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-43.6	178.7	163.8	0	0	0	0	111.4	F1000 L1004 D1008 V1009 F1010 T1015 I1016 I1031 T1066 L1070	F1000-V1012 HydrophobicContact CD2-CG1 4.27Å; L1004-V1012 HydrophobicContact CD1-CB 4.07Å; L1004-V1012 HydrophobicContact CD1-CG1 4.22Å; L1004-V1012 HydrophobicContact CD1-CG2 3.71Å; D1008-V1012 VanDerWaalsContact O-CB 3.3Å; D1008-V1012 WeakPolarHBondContact O-CB 3.47Å; D1008-V1012 VanDerWaalsContact O-CG2 3.29Å; D1008-V1012 WeakPolarHBondContact O-CG2 3.29Å; D1008-V1012 PolarHBondContact O-N 2.69Å; V1009-V1012 PolarHBondContact O-N 2.89Å; F1010-V1012 PolarHBondContact O-N 2.8Å; V1012-T1015 PolarHBondContact O-N 3.25Å; V1012-I1016 HydrophobicContact CG1-CD1 3.61Å; V1012-I1016 HydrophobicContact CG1-CG1 4.36Å; V1012-I1016 WeakPolarHBondContact O-CD1 3.31Å; V1012-I1016 VanDerWaalsContact O-CG1 3.23Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.4Å; V1012-I1016 PolarHBondContact O-N 2.92Å; V1012-I1031 HydrophobicContact CG1-CD1 3.99Å; V1012-T1066 HydrophobicContact CG2-CG2 3.44Å; V1012-T1066 VanDerWaalsContact CG2-CG2 3.44Å; V1012-L1070 HydrophobicContact CG2-CD1 3.94Å; V1012-L1070 HydrophobicContact CG2-CD2 4.11Å; V1012-L1070 HydrophobicContact CG2-CG 4.14Å
1013	W	98.3	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-46.5	178.3	-76.7	21	0	0	0	111.9	L923 P926 L927 L944 D999 K1001 V1009 F1010 T1015 I1016 W1017	L923-W1013 HydrophobicContact CD2-CH2 4.15Å; L923-W1013 HydrophobicContact CD2-CZ2 3.99Å; L923-W1013 WeakPolarHBondContact O-CH2 3.32Å; P926-W1013 HydrophobicContact CB-CE3 4.1Å; P926-W1013 HydrophobicContact CB-CH2 4.03Å; P926-W1013 HydrophobicContact CB-CZ3 3.67Å; P926-W1013 HydrophobicContact CG-CE3 4.46Å; P926-W1013 HydrophobicContact CG-CH2 3.62Å; P926-W1013 HydrophobicContact CG-CZ2 4.12Å; P926-W1013 HydrophobicContact CG-CZ3 3.82Å; L927-W1013 HydrophobicContact CD2-CZ3 4.33Å; L927-W1013 HydrophobicContact CG-CZ3 4.42Å; L944-W1013 HydrophobicContact CD2-CH2 4.23Å; L944-W1013 HydrophobicContact CD2-CZ3 4.08Å; D999-W1013 HydrophobicContact CB-CZ2 4.5Å; D999-W1013 PolarHBondContact O-NE1 3.31Å; K1001-W1013 HydrophobicContact CB-CZ2 4.4Å; V1009-W1013 HydrophobicContact CG1-CD2 4.09Å; V1009-W1013 HydrophobicContact CG1-CG 4.25Å; V1009-W1013 HydrophobicContact CG1-CZ2 4.33Å; V1009-W1013 WeakPolarHBondContact O-CB 3.47Å; V1009-W1013 PolarHBondContact O-N 3.43Å; F1010-W1013 PolarHBondContact O-N 3.09Å; W1013-T1015 VanDerWaalsContact C-N 3.26Å; W1013-T1015 PolarHBondContact O-N 3.42Å; W1013-I1016 PolarHBondContact O-N 3.22Å; W1013-I1016 VanDerWaalsContact O-N 3.15Å; W1013-W1017 HydrophobicContact CB-CH2 4.1Å; W1013-W1017 HydrophobicContact CB-CZ2 3.78Å; W1013-W1017 HydrophobicContact CD2-CZ2 4.02Å; W1013-W1017 AromaticContact CE3-CH2 3.81Å; W1013-W1017 HydrophobicContact CE3-CH2 3.81Å; W1013-W1017 AromaticContact CE3-CZ2 3.46Å; W1013-W1017 HydrophobicContact CE3-CZ2 3.46Å; W1013-W1017 VanDerWaalsContact CE3-CZ2 3.46Å; W1013-W1017 HydrophobicContact CG-CZ2 4.21Å; W1013-W1017 HydrophobicContact CZ3-CZ2 4.26Å; W1013-W1017 VanDerWaalsContact O-CD2 3.29Å; W1013-W1017 PolarHBondContact O-N 2.7Å
1014	E	98	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.4	-45.5	171.9	-71.1	165.9	-177	0	0	111.2	I613 I618 R623 W627 F1010 A1018	I613-E1014 HydrophobicContact CG2-CB 4.04Å; I613-E1014 WeakPolarHBondContact CG2-O 3.37Å; I618-E1014 HydrophobicContact CB-CG 4.47Å; I618-E1014 WeakPolarHBondContact CB-OE2 3.27Å; I618-E1014 HydrophobicContact CD1-CB 4.35Å; I618-E1014 HydrophobicContact CD1-CG 3.58Å; I618-E1014 HydrophobicContact CG1-CB 4.31Å; I618-E1014 HydrophobicContact CG1-CG 3.85Å; I618-E1014 PolarHBondContact N-OE2 2.81Å; R623-E1014 WeakPolarHBondContact CD-OE1 3.5Å; R623-E1014 WeakPolarHBondContact CG-OE1 3.4Å; R623-E1014 IonicContact CZ-OE1 2.74Å; R623-E1014 IonicContact NE-OE1 2.71Å; R623-E1014 PolarHBondContact NE-OE1 3.35Å; R623-E1014 IonicContact NE-OE2 3.61Å; R623-E1014 IonicContact NH2-OE1 3.44Å; R623-E1014 IonicContact NH2-OE2 3.45Å; W627-E1014 HydrophobicContact CZ2-CG 4.5Å; W627-E1014 PolarHBondContact NE1-OE1 3.29Å; F1010-E1014 WeakPolarHBondContact O-CB 3.45Å; F1010-E1014 WeakPolarHBondContact O-CG 3.36Å; F1010-E1014 PolarHBondContact O-N 2.92Å; E1014-A1018 WeakPolarHBondContact O-CB 3.37Å; E1014-A1018 PolarHBondContact O-N 3.41Å; E1014-A1018 VanDerWaalsContact O-N 3.11Å
1015	T	97.8	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-42.8	177.3	-52.7	0	0	0	0	112	Y614 L1011 V1012 W1013 A1019 Y1027 L1070	Y614-T1015 HydrophobicContact CD2-CG2 4.06Å; Y614-T1015 HydrophobicContact CE2-CG2 4.48Å; L1011-T1015 WeakPolarHBondContact O-CB 3.48Å; L1011-T1015 PolarHBondContact O-N 3.31Å; L1011-T1015 PolarHBondContact O-OG1 2.85Å; V1012-T1015 PolarHBondContact O-N 3.25Å; W1013-T1015 VanDerWaalsContact C-N 3.26Å; W1013-T1015 PolarHBondContact O-N 3.42Å; T1015-A1019 WeakPolarHBondContact O-CB 3.5Å; T1015-A1019 PolarHBondContact O-N 2.92Å; T1015-Y1027 HydrophobicContact CG2-CD1 4.41Å; T1015-Y1027 HydrophobicContact CG2-CE1 3.61Å; T1015-L1070 HydrophobicContact CG2-CD2 4.1Å
1016	I	97.7	Very high	96	Very high	11 Å²	11	25.7 Å²	25.7	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-45.8	178.5	-71.6	160.5	0	0	0	111	D999 V1012 W1013 A1019 K1020 Y1027 V1028 I1031	D999-I1016 HydrophobicContact CB-CD1 4.28Å; V1012-I1016 HydrophobicContact CG1-CD1 3.61Å; V1012-I1016 HydrophobicContact CG1-CG1 4.36Å; V1012-I1016 WeakPolarHBondContact O-CD1 3.31Å; V1012-I1016 VanDerWaalsContact O-CG1 3.23Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.4Å; V1012-I1016 PolarHBondContact O-N 2.92Å; W1013-I1016 PolarHBondContact O-N 3.22Å; W1013-I1016 VanDerWaalsContact O-N 3.15Å; I1016-A1019 PolarHBondContact O-N 3.31Å; I1016-K1020 PolarHBondContact O-N 2.86Å; I1016-Y1027 HydrophobicContact CG1-CD1 4.26Å; I1016-V1028 HydrophobicContact CD1-CG1 3.88Å; I1016-V1028 HydrophobicContact CG1-CG1 4.1Å; I1016-V1028 HydrophobicContact CG2-CG1 4.08Å; I1016-I1031 HydrophobicContact CD1-CD1 3.93Å; I1016-I1031 HydrophobicContact CG1-CD1 3.65Å
1017	W	97.2	Very high	96	Very high	13 Å²	13	24.9 Å²	24.9	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-41.2	-178	-56	-20.6	0	0	0	111.5	W627 L630 L631 L927 W1013	W627-W1017 HydrophobicContact CD2-CH2 4.11Å; W627-W1017 AromaticContact CD2-CZ3 3.85Å; W627-W1017 HydrophobicContact CD2-CZ3 3.85Å; W627-W1017 HydrophobicContact CE3-CH2 4.04Å; W627-W1017 HydrophobicContact CE3-CZ3 4.24Å; W627-W1017 HydrophobicContact CG-CZ3 4.01Å; W627-W1017 HydrophobicContact CH2-CH2 4.37Å; W627-W1017 HydrophobicContact CZ2-CH2 4.48Å; W627-W1017 HydrophobicContact CZ2-CZ3 4.49Å; W627-W1017 HydrophobicContact CZ3-CH2 4.19Å; L630-W1017 HydrophobicContact CB-CB 4.28Å; L630-W1017 HydrophobicContact CB-CE3 3.85Å; L630-W1017 HydrophobicContact CD1-CE3 3.95Å; L631-W1017 HydrophobicContact CD1-CH2 4.09Å; L631-W1017 HydrophobicContact CD1-CZ3 4.37Å; L631-W1017 HydrophobicContact CD2-CD2 4.03Å; L631-W1017 HydrophobicContact CD2-CE3 4.32Å; L631-W1017 HydrophobicContact CD2-CH2 4Å; L631-W1017 HydrophobicContact CD2-CZ2 3.68Å; L631-W1017 HydrophobicContact CD2-CZ3 4.31Å; L631-W1017 HydrophobicContact CG-CE3 4.33Å; L631-W1017 HydrophobicContact CG-CH2 4.14Å; L631-W1017 HydrophobicContact CG-CZ2 4.33Å; L631-W1017 HydrophobicContact CG-CZ3 4.15Å; L927-W1017 HydrophobicContact CD2-CH2 4.23Å; W1013-W1017 HydrophobicContact CB-CH2 4.1Å; W1013-W1017 HydrophobicContact CB-CZ2 3.78Å; W1013-W1017 HydrophobicContact CD2-CZ2 4.02Å; W1013-W1017 AromaticContact CE3-CH2 3.81Å; W1013-W1017 HydrophobicContact CE3-CH2 3.81Å; W1013-W1017 AromaticContact CE3-CZ2 3.46Å; W1013-W1017 HydrophobicContact CE3-CZ2 3.46Å; W1013-W1017 VanDerWaalsContact CE3-CZ2 3.46Å; W1013-W1017 HydrophobicContact CG-CZ2 4.21Å; W1013-W1017 HydrophobicContact CZ3-CZ2 4.26Å; W1013-W1017 VanDerWaalsContact O-CD2 3.29Å; W1013-W1017 PolarHBondContact O-N 2.7Å
1018	A	96.5	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.1	-42.6	173.4	0	0	0	0	0	112.9	L610 I613 E1014 K1020 H1021 V1022	L610-A1018 HydrophobicContact CD2-CB 4.41Å; I613-A1018 HydrophobicContact CB-CB 4.07Å; I613-A1018 HydrophobicContact CG2-CB 3.84Å; E1014-A1018 WeakPolarHBondContact O-CB 3.37Å; E1014-A1018 PolarHBondContact O-N 3.41Å; E1014-A1018 VanDerWaalsContact O-N 3.11Å; A1018-K1020 PolarHBondContact O-N 3.28Å; A1018-H1021 PolarHBondContact O-N 3.31Å; A1018-V1022 WeakPolarHBondContact O-CG2 3.47Å; A1018-V1022 PolarHBondContact O-N 3.41Å
1019	A	96.3	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-35.8	-178.1	0	0	0	0	0	112.9	Y614 T1015 I1016 H1021 V1022 S1023 S1024 Y1027	Y614-A1019 HydrophobicContact CD2-CB 3.64Å; Y614-A1019 HydrophobicContact CE2-CB 3.58Å; T1015-A1019 WeakPolarHBondContact O-CB 3.5Å; T1015-A1019 PolarHBondContact O-N 2.92Å; I1016-A1019 PolarHBondContact O-N 3.31Å; A1019-H1021 PolarHBondContact O-N 3.05Å; A1019-H1021 VanDerWaalsContact O-N 3.13Å; A1019-V1022 PolarHBondContact O-N 3.01Å; A1019-S1023 PolarHBondContact O-N 3.22Å; A1019-S1024 CarbonylContact C-O 3.48Å; A1019-S1024 CarbonylContact O-C 3.54Å; A1019-S1024 PolarHBondContact O-N 2.89Å; A1019-Y1027 HydrophobicContact CB-CD1 3.64Å; A1019-Y1027 HydrophobicContact CB-CD2 3.76Å; A1019-Y1027 HydrophobicContact CB-CE1 4.3Å; A1019-Y1027 HydrophobicContact CB-CE2 4.39Å; A1019-Y1027 HydrophobicContact CB-CG 3.33Å
1020	K	93.8	Very high	96	Very high	114 Å²	114	19 Å²	19	50%	0.496	10%	0.101	S	C	.	.	H	α-helix	trans	-51.7	-34.2	174.4	173.4	-169.6	166.1	-139.7	0	113.2	I1016 A1018 S1024	I1016-K1020 PolarHBondContact O-N 2.86Å; A1018-K1020 PolarHBondContact O-N 3.28Å; K1020-S1024 WeakPolarHBondContact CA-O 3.37Å; K1020-S1024 PolarHBondContact N-O 2.97Å
1021	H	90.9	Very high	96.1	Very high	77 Å²	77	18.9 Å²	18.9	36%	0.356	10%	0.1	S	C	.	.	H	α-helix	trans	-100.7	-26.5	-178	-66.7	-110	0	0	0	112.5	Q607 L610 A1018 A1019	Q607-H1021 PolarHBondContact NE2-O 3.43Å; L610-H1021 HydrophobicContact CD1-CB 3.8Å; A1018-H1021 PolarHBondContact O-N 3.31Å; A1019-H1021 PolarHBondContact O-N 3.05Å; A1019-H1021 VanDerWaalsContact O-N 3.13Å
1022	V	92.2	Very high	96	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-87.4	-53.6	-179.8	-180	0	0	0	0	112.3	N573 V577 L610 Y614 A1018 A1019	N573-V1022 PolarHBondContact ND2-O 3.21Å; V577-V1022 HydrophobicContact CB-CG1 4.05Å; V577-V1022 HydrophobicContact CG1-CG1 4.18Å; V577-V1022 HydrophobicContact CG2-CG1 3.96Å; L610-V1022 HydrophobicContact CB-CG2 3.96Å; Y614-V1022 HydrophobicContact CD1-CB 4.32Å; Y614-V1022 HydrophobicContact CD1-CG1 3.66Å; Y614-V1022 HydrophobicContact CD2-CB 4.48Å; Y614-V1022 HydrophobicContact CE1-CG1 4.02Å; Y614-V1022 HydrophobicContact CG-CB 4.12Å; Y614-V1022 HydrophobicContact CG-CG1 3.98Å; Y614-V1022 HydrophobicContact CG-CG2 4.4Å; A1018-V1022 WeakPolarHBondContact O-CG2 3.47Å; A1018-V1022 PolarHBondContact O-N 3.41Å; A1019-V1022 PolarHBondContact O-N 3.01Å
1023	S	93.7	Very high	95.9	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.035	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-35.9	-163.2	72.6	0	0	0	0	116.5	N573 Y614 A1019	N573-S1023 WeakPolarHBondContact CB-O 3.43Å; N573-S1023 PolarHBondContact N-O 3.46Å; N573-S1023 PolarHBondContact ND2-N 3.25Å; Y614-S1023 VanDerWaalsContact CE2-OG 3.27Å; Y614-S1023 WeakPolarHBondContact CE2-OG 3.32Å; Y614-S1023 VanDerWaalsContact CZ-OG 3.27Å; Y614-S1023 VanDerWaalsContact OH-CB 3.3Å; Y614-S1023 WeakPolarHBondContact OH-CB 3.24Å; Y614-S1023 PolarHBondContact OH-OG 2.87Å; A1019-S1023 PolarHBondContact O-N 3.22Å
1024	S	94.8	Very high	95.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	9%	0.093	C	C	.	.			trans	-165.7	126.3	-174.8	175.4	0	0	0	0	112.2	L571 A1019 K1020 H1026 Y1027	L571-S1024 WeakPolarHBondContact O-CB 3.42Å; L571-S1024 PolarHBondContact O-OG 3Å; A1019-S1024 CarbonylContact C-O 3.48Å; A1019-S1024 CarbonylContact O-C 3.54Å; A1019-S1024 PolarHBondContact O-N 2.89Å; K1020-S1024 WeakPolarHBondContact CA-O 3.37Å; K1020-S1024 PolarHBondContact N-O 2.97Å; S1024-H1026 PolarHBondContact O-N 2.82Å; S1024-H1026 WeakPolarHBondContact OG-CA 3.26Å; S1024-H1026 PolarHBondContact OG-N 3.02Å; S1024-Y1027 PolarHBondContact O-N 2.61Å; S1024-Y1027 PolarHBondContact OG-N 3.37Å
1025	A	93	Very high	95.8	Very high	69 Å²	69	17.7 Å²	17.7	57%	0.57	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.1	167.1	0	0	0	0	0	113.7
1026	H	94.6	Very high	95.7	Very high	58 Å²	58	17.7 Å²	17.7	27%	0.269	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	27.3	-178.5	-63	-79	0	0	0	112.1	L571 S1024 V1028 L1029	L571-H1026 HydrophobicContact CD2-CB 4.44Å; S1024-H1026 PolarHBondContact O-N 2.82Å; S1024-H1026 WeakPolarHBondContact OG-CA 3.26Å; S1024-H1026 PolarHBondContact OG-N 3.02Å; H1026-V1028 PolarHBondContact O-N 2.98Å; H1026-L1029 HydrophobicContact CB-CD1 3.89Å; H1026-L1029 HydrophobicContact CB-CG 4.22Å; H1026-L1029 WeakPolarHBondContact O-CB 3.33Å; H1026-L1029 WeakPolarHBondContact O-CG 3.29Å; H1026-L1029 PolarHBondContact O-N 3.4Å
1027	Y	96.9	Very high	95.5	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-56.4	-28.4	-172.1	-167.6	-109.5	0	0	0	114.4	Y614 T1015 I1016 A1019 S1024 L1029 F1030 I1031 L1070 A1073 R1074 V1077	Y614-Y1027 HydrophobicContact CE2-CD2 4.31Å; Y614-Y1027 AromaticContact CE2-CE2 3.84Å; Y614-Y1027 HydrophobicContact CE2-CE2 3.84Å; T1015-Y1027 HydrophobicContact CG2-CD1 4.41Å; T1015-Y1027 HydrophobicContact CG2-CE1 3.61Å; I1016-Y1027 HydrophobicContact CG1-CD1 4.26Å; A1019-Y1027 HydrophobicContact CB-CD1 3.64Å; A1019-Y1027 HydrophobicContact CB-CD2 3.76Å; A1019-Y1027 HydrophobicContact CB-CE1 4.3Å; A1019-Y1027 HydrophobicContact CB-CE2 4.39Å; A1019-Y1027 HydrophobicContact CB-CG 3.33Å; S1024-Y1027 PolarHBondContact O-N 2.61Å; S1024-Y1027 PolarHBondContact OG-N 3.37Å; Y1027-L1029 PolarHBondContact O-N 3.46Å; Y1027-F1030 HydrophobicContact CD2-CB 4.46Å; Y1027-F1030 WeakPolarHBondContact O-CB 3.46Å; Y1027-F1030 PolarHBondContact O-N 3.18Å; Y1027-I1031 HydrophobicContact CD1-CD1 3.75Å; Y1027-I1031 HydrophobicContact CD1-CG1 3.94Å; Y1027-I1031 HydrophobicContact CE1-CD1 3.72Å; Y1027-I1031 HydrophobicContact CE1-CG1 3.73Å; Y1027-I1031 PolarHBondContact O-N 3.46Å; Y1027-I1031 VanDerWaalsContact O-N 3.13Å; Y1027-L1070 HydrophobicContact CE1-CD2 4.23Å; Y1027-L1070 PolarHBondContact OH-O 3.3Å; Y1027-A1073 HydrophobicContact CE2-CB 4.34Å; Y1027-A1073 WeakPolarHBondContact OH-CB 3.29Å; Y1027-R1074 HydrophobicContact CE2-CG 4.44Å; Y1027-R1074 WeakPolarHBondContact OH-CG 3.41Å; Y1027-V1077 HydrophobicContact CD2-CG2 4.01Å; Y1027-V1077 HydrophobicContact CE2-CG2 3.97Å
1028	V	96.9	Very high	95.5	Very high	12 Å²	12	19.7 Å²	19.7	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-54.6	-32.8	173.3	-62.8	0	0	0	0	113.5	F996 F1000 I1016 H1026 F1030 I1031 A1032	F996-V1028 HydrophobicContact CD1-CB 4.29Å; F996-V1028 HydrophobicContact CD1-CG2 4.17Å; F996-V1028 HydrophobicContact CE1-CB 4.48Å; F996-V1028 HydrophobicContact CE1-CG2 4.41Å; F1000-V1028 HydrophobicContact CE2-CB 4.21Å; F1000-V1028 HydrophobicContact CE2-CG1 4.4Å; F1000-V1028 WeakPolarHBondContact CZ-O 3.1Å; I1016-V1028 HydrophobicContact CD1-CG1 3.88Å; I1016-V1028 HydrophobicContact CG1-CG1 4.1Å; I1016-V1028 HydrophobicContact CG2-CG1 4.08Å; H1026-V1028 PolarHBondContact O-N 2.98Å; V1028-F1030 VanDerWaalsContact C-N 3.32Å; V1028-F1030 PolarHBondContact O-N 3.41Å; V1028-I1031 PolarHBondContact O-N 3.27Å; V1028-A1032 PolarHBondContact O-N 3.31Å
1029	L	96.6	Very high	95.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-36.8	176.2	-54.3	-178.1	0	0	0	111.6	L571 H961 N964 M965 L968 F996 H1026 Y1027 A1032 L1033	L571-L1029 HydrophobicContact CD2-CD1 4.38Å; H961-L1029 HydrophobicContact CB-CD2 3.78Å; N964-L1029 HydrophobicContact CB-CD1 3.5Å; M965-L1029 HydrophobicContact CG-CD2 4.14Å; M965-L1029 HydrophobicContact SD-CB 4.04Å; M965-L1029 HydrophobicContact SD-CD2 4.27Å; M965-L1029 VanDerWaalsContact SD-O 3.38Å; L968-L1029 HydrophobicContact CD1-CB 3.91Å; L968-L1029 HydrophobicContact CD1-CD1 4.27Å; F996-L1029 HydrophobicContact CE1-CD2 3.9Å; F996-L1029 HydrophobicContact CE2-CD2 4.46Å; F996-L1029 HydrophobicContact CZ-CD2 3.8Å; H1026-L1029 HydrophobicContact CB-CD1 3.89Å; H1026-L1029 HydrophobicContact CB-CG 4.22Å; H1026-L1029 WeakPolarHBondContact O-CB 3.33Å; H1026-L1029 WeakPolarHBondContact O-CG 3.29Å; H1026-L1029 PolarHBondContact O-N 3.4Å; Y1027-L1029 PolarHBondContact O-N 3.46Å; L1029-A1032 PolarHBondContact O-N 3.38Å; L1029-L1033 WeakPolarHBondContact O-CB 3.43Å; L1029-L1033 PolarHBondContact O-N 3.07Å
1030	F	97.8	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.4	-29.1	179.1	-63.9	-88.9	0	0	0	112	L571 V572 L968 Y1027 V1028 A1034 A1073 L1076 V1077 V1080	L571-F1030 HydrophobicContact CB-CE2 4.5Å; L571-F1030 HydrophobicContact CB-CZ 4.46Å; V572-F1030 HydrophobicContact CG1-CE1 4.33Å; V572-F1030 HydrophobicContact CG1-CE2 4Å; V572-F1030 HydrophobicContact CG1-CZ 3.52Å; L968-F1030 HydrophobicContact CD2-CE1 4.01Å; L968-F1030 HydrophobicContact CD2-CZ 4.11Å; Y1027-F1030 HydrophobicContact CD2-CB 4.46Å; Y1027-F1030 WeakPolarHBondContact O-CB 3.46Å; Y1027-F1030 PolarHBondContact O-N 3.18Å; V1028-F1030 VanDerWaalsContact C-N 3.32Å; V1028-F1030 PolarHBondContact O-N 3.41Å; F1030-A1034 WeakPolarHBondContact O-CB 3.23Å; F1030-A1034 PolarHBondContact O-N 3.39Å; F1030-A1073 HydrophobicContact CB-CB 4.26Å; F1030-A1073 WeakPolarHBondContact O-CB 3.48Å; F1030-L1076 HydrophobicContact CD1-CB 3.98Å; F1030-V1077 HydrophobicContact CB-CG2 3.93Å; F1030-V1077 HydrophobicContact CD1-CB 4.37Å; F1030-V1077 HydrophobicContact CD1-CG2 3.49Å; F1030-V1077 VanDerWaalsContact CD1-CG2 3.49Å; F1030-V1077 HydrophobicContact CD2-CG2 3.72Å; F1030-V1077 HydrophobicContact CE1-CB 4.48Å; F1030-V1077 HydrophobicContact CE1-CG2 3.85Å; F1030-V1077 HydrophobicContact CE2-CG2 4.06Å; F1030-V1077 HydrophobicContact CG-CG2 3.41Å; F1030-V1077 VanDerWaalsContact CG-CG2 3.41Å; F1030-V1077 HydrophobicContact CZ-CG2 4.12Å; F1030-V1080 HydrophobicContact CE1-CB 4.37Å; F1030-V1080 HydrophobicContact CE1-CG2 3.98Å
1031	I	98.3	Very high	95.4	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-46	169.4	-59.3	177.3	0	0	0	110.6	F1000 V1012 I1016 Y1027 V1028 L1033 A1034 L1035 V1069 L1070 A1073	F1000-I1031 HydrophobicContact CD1-CG2 4.25Å; F1000-I1031 HydrophobicContact CD2-CG2 4.06Å; F1000-I1031 HydrophobicContact CE1-CB 4.44Å; F1000-I1031 HydrophobicContact CE1-CG2 3.84Å; F1000-I1031 HydrophobicContact CE2-CB 3.84Å; F1000-I1031 HydrophobicContact CE2-CD1 4.31Å; F1000-I1031 HydrophobicContact CE2-CG2 3.66Å; F1000-I1031 HydrophobicContact CG-CG2 4.37Å; F1000-I1031 HydrophobicContact CZ-CB 3.72Å; F1000-I1031 HydrophobicContact CZ-CG2 3.55Å; V1012-I1031 HydrophobicContact CG1-CD1 3.99Å; I1016-I1031 HydrophobicContact CD1-CD1 3.93Å; I1016-I1031 HydrophobicContact CG1-CD1 3.65Å; Y1027-I1031 HydrophobicContact CD1-CD1 3.75Å; Y1027-I1031 HydrophobicContact CD1-CG1 3.94Å; Y1027-I1031 HydrophobicContact CE1-CD1 3.72Å; Y1027-I1031 HydrophobicContact CE1-CG1 3.73Å; Y1027-I1031 PolarHBondContact O-N 3.46Å; Y1027-I1031 VanDerWaalsContact O-N 3.13Å; V1028-I1031 PolarHBondContact O-N 3.27Å; I1031-L1033 PolarHBondContact O-N 3.12Å; I1031-A1034 PolarHBondContact O-N 3.08Å; I1031-L1035 PolarHBondContact O-N 2.96Å; I1031-V1069 HydrophobicContact CG2-CG1 4.01Å; I1031-L1070 HydrophobicContact CD1-CD2 3.98Å; I1031-L1070 HydrophobicContact CG1-CD2 4.2Å; I1031-A1073 HydrophobicContact CG1-CB 4.21Å
1032	A	97.3	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-43.4	176	0	0	0	0	0	111.8	M965 W995 F996 F1000 V1028 L1029 L1035 V1036	M965-A1032 HydrophobicContact CE-CB 3.82Å; M965-A1032 HydrophobicContact SD-CB 4.03Å; W995-A1032 HydrophobicContact CE3-CB 3.79Å; W995-A1032 HydrophobicContact CZ3-CB 4.09Å; F996-A1032 HydrophobicContact CE1-CB 3.59Å; F996-A1032 HydrophobicContact CZ-CB 3.65Å; F1000-A1032 HydrophobicContact CE1-CB 4.24Å; F1000-A1032 HydrophobicContact CZ-CB 4.08Å; V1028-A1032 PolarHBondContact O-N 3.31Å; L1029-A1032 PolarHBondContact O-N 3.38Å; A1032-L1035 PolarHBondContact O-N 3.11Å; A1032-V1036 WeakPolarHBondContact O-CG2 3.34Å; A1032-V1036 PolarHBondContact O-N 3.04Å
1033	L	96.2	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-41.8	174.4	-178	59.2	0	0	0	111.8	M965 L968 I969 L972 L1029 I1031 L1035 V1036 E1037 L1076	M965-L1033 HydrophobicContact CE-CB 4.25Å; L968-L1033 HydrophobicContact CB-CD2 4.19Å; I969-L1033 HydrophobicContact CD1-CD1 4.47Å; I969-L1033 HydrophobicContact CG1-CD1 3.58Å; L972-L1033 HydrophobicContact CD1-CD2 3.59Å; L1029-L1033 WeakPolarHBondContact O-CB 3.43Å; L1029-L1033 PolarHBondContact O-N 3.07Å; I1031-L1033 PolarHBondContact O-N 3.12Å; L1033-L1035 VanDerWaalsContact C-N 3.33Å; L1033-L1035 PolarHBondContact O-N 3.32Å; L1033-V1036 PolarHBondContact O-N 2.93Å; L1033-E1037 HydrophobicContact CD1-CG 4.26Å; L1033-E1037 HydrophobicContact CG-CG 4.49Å; L1033-E1037 PolarHBondContact O-N 2.64Å; L1033-L1076 HydrophobicContact CB-CD1 4.21Å; L1033-L1076 HydrophobicContact CD2-CD1 4.02Å; L1033-L1076 HydrophobicContact CD2-CD2 3.95Å; L1033-L1076 HydrophobicContact CD2-CG 4.47Å; L1033-L1076 HydrophobicContact CG-CD1 3.83Å; L1033-L1076 HydrophobicContact CG-CD2 4.4Å
1034	A	97.9	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-35.2	176.4	0	0	0	0	0	113.1	F1030 I1031 V1038 V1069 L1072 A1073 L1076	F1030-A1034 WeakPolarHBondContact O-CB 3.23Å; F1030-A1034 PolarHBondContact O-N 3.39Å; I1031-A1034 PolarHBondContact O-N 3.08Å; A1034-V1038 WeakPolarHBondContact O-CB 3.48Å; A1034-V1038 VanDerWaalsContact O-CG2 3.25Å; A1034-V1038 WeakPolarHBondContact O-CG2 3.49Å; A1034-V1038 PolarHBondContact O-N 2.92Å; A1034-V1069 HydrophobicContact CB-CG1 3.96Å; A1034-V1069 WeakPolarHBondContact CB-O 3.24Å; A1034-L1072 HydrophobicContact CB-CB 4.03Å; A1034-L1072 HydrophobicContact CB-CD2 4.3Å; A1034-L1072 HydrophobicContact CB-CG 4.11Å; A1034-A1073 HydrophobicContact CB-CB 3.96Å; A1034-L1076 HydrophobicContact CB-CD1 4.01Å
1035	L	96.4	Very high	95.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-44.4	172.3	-81.7	166.9	0	0	0	111.5	W995 F1000 I1031 A1032 L1033 Y1039 F1057 H1064 V1069	W995-L1035 HydrophobicContact CD2-CD1 4.45Å; W995-L1035 HydrophobicContact CE3-CD1 4.23Å; W995-L1035 HydrophobicContact CH2-CB 4.04Å; W995-L1035 HydrophobicContact CH2-CD1 4.27Å; W995-L1035 HydrophobicContact CZ2-CD1 4.49Å; W995-L1035 HydrophobicContact CZ3-CB 4.08Å; W995-L1035 HydrophobicContact CZ3-CD1 4.13Å; F1000-L1035 HydrophobicContact CD1-CD1 3.66Å; F1000-L1035 HydrophobicContact CE1-CD1 3.62Å; I1031-L1035 PolarHBondContact O-N 2.96Å; A1032-L1035 PolarHBondContact O-N 3.11Å; L1033-L1035 VanDerWaalsContact C-N 3.33Å; L1033-L1035 PolarHBondContact O-N 3.32Å; L1035-Y1039 WeakPolarHBondContact O-CD2 3.49Å; L1035-F1057 HydrophobicContact CB-CE1 4.31Å; L1035-H1064 HydrophobicContact CD2-CB 4.04Å; L1035-V1069 HydrophobicContact CD2-CG1 4.18Å; L1035-V1069 HydrophobicContact CD2-CG2 3.75Å; L1035-V1069 HydrophobicContact CG-CG1 3.91Å; L1035-V1069 HydrophobicContact CG-CG2 4.31Å
1036	V	94.5	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-43.9	177	-175.5	0	0	0	0	111.1	L976 M980 F991 W995 A1032 L1033 V1038 Y1039 R1040 I1043 F1057	L976-V1036 HydrophobicContact CD2-CG1 3.63Å; M980-V1036 HydrophobicContact CE-CG1 4.25Å; F991-V1036 HydrophobicContact CE2-CG2 3.8Å; F991-V1036 HydrophobicContact CZ-CG2 4.35Å; W995-V1036 HydrophobicContact CH2-CG2 4.31Å; W995-V1036 HydrophobicContact CZ3-CG2 4.27Å; A1032-V1036 WeakPolarHBondContact O-CG2 3.34Å; A1032-V1036 PolarHBondContact O-N 3.04Å; L1033-V1036 PolarHBondContact O-N 2.93Å; V1036-V1038 PolarHBondContact O-N 2.91Å; V1036-Y1039 CarbonylContact O-C 3.55Å; V1036-Y1039 PolarHBondContact O-N 3.24Å; V1036-R1040 PolarHBondContact O-N 2.65Å; V1036-I1043 HydrophobicContact CG1-CD1 3.96Å; V1036-F1057 HydrophobicContact CG2-CE2 4.46Å; V1036-F1057 HydrophobicContact CG2-CZ 4.35Å
1037	E	94.9	Very high	95.4	Very high	33 Å²	33	35.3 Å²	35.3	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-30	179.1	-79.4	-147.8	-136.7	0	0	113.6	L1033 Y1039 R1040 L1072 L1076	L1033-E1037 HydrophobicContact CD1-CG 4.26Å; L1033-E1037 HydrophobicContact CG-CG 4.49Å; L1033-E1037 PolarHBondContact O-N 2.64Å; E1037-Y1039 PolarHBondContact O-N 3.4Å; E1037-R1040 VanDerWaalsContact O-CB 3.24Å; E1037-R1040 WeakPolarHBondContact O-CB 3.42Å; E1037-R1040 PolarHBondContact O-N 3.07Å; E1037-L1072 HydrophobicContact CB-CD2 3.74Å; E1037-L1076 VanDerWaalsContact OE1-CD2 3.25Å; E1037-L1076 WeakPolarHBondContact OE1-CD2 3.5Å
1038	V	96	Very high	95	Very high	32 Å²	32	36.3 Å²	36.3	19%	0.194	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-27.5	173.2	160.5	0	0	0	0	112.5	A1034 V1036 Q1068 V1069 L1072	A1034-V1038 WeakPolarHBondContact O-CB 3.48Å; A1034-V1038 VanDerWaalsContact O-CG2 3.25Å; A1034-V1038 WeakPolarHBondContact O-CG2 3.49Å; A1034-V1038 PolarHBondContact O-N 2.92Å; V1036-V1038 PolarHBondContact O-N 2.91Å; V1038-Q1068 HydrophobicContact CG2-CG 4.16Å; V1038-V1069 HydrophobicContact CG2-CG2 4.13Å; V1038-L1072 HydrophobicContact CG2-CD2 3.9Å
1039	Y	95.4	Very high	94.5	Very high	25 Å²	25	38.6 Å²	38.6	10%	0.098	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	13.2	177.7	-54	-68.1	0	0	0	113.1	L1035 V1036 E1037 D1041 I1042 I1043 F1056 F1057 M1060 H1064	L1035-Y1039 WeakPolarHBondContact O-CD2 3.49Å; V1036-Y1039 CarbonylContact O-C 3.55Å; V1036-Y1039 PolarHBondContact O-N 3.24Å; E1037-Y1039 PolarHBondContact O-N 3.4Å; Y1039-D1041 PolarHBondContact O-N 3.27Å; Y1039-I1042 HydrophobicContact CD1-CD1 4.21Å; Y1039-I1042 WeakPolarHBondContact O-CB 3.45Å; Y1039-I1042 PolarHBondContact O-N 3.21Å; Y1039-I1042 VanDerWaalsContact O-N 3.09Å; Y1039-I1043 WeakPolarHBondContact O-CG1 3.25Å; Y1039-I1043 PolarHBondContact O-N 2.8Å; Y1039-F1056 HydrophobicContact CD1-CE1 4.11Å; Y1039-F1056 AromaticContact CD1-CZ 3.73Å; Y1039-F1056 HydrophobicContact CD1-CZ 3.73Å; Y1039-F1056 AromaticContact CD2-CE1 3.81Å; Y1039-F1056 HydrophobicContact CD2-CE1 3.81Å; Y1039-F1056 HydrophobicContact CD2-CZ 4.27Å; Y1039-F1056 HydrophobicContact CE1-CZ 4.28Å; Y1039-F1056 HydrophobicContact CE2-CE1 4.46Å; Y1039-F1056 AromaticContact CG-CE1 3.61Å; Y1039-F1056 HydrophobicContact CG-CE1 3.61Å; Y1039-F1056 AromaticContact CG-CZ 3.72Å; Y1039-F1056 HydrophobicContact CG-CZ 3.72Å; Y1039-F1057 AromaticContact CD2-CE1 3.63Å; Y1039-F1057 HydrophobicContact CD2-CE1 3.63Å; Y1039-F1057 AromaticContact CD2-CZ 3.86Å; Y1039-F1057 HydrophobicContact CD2-CZ 3.86Å; Y1039-F1057 AromaticContact CE2-CE1 3.95Å; Y1039-F1057 HydrophobicContact CE2-CE1 3.95Å; Y1039-M1060 HydrophobicContact CE1-CE 3.99Å; Y1039-M1060 WeakPolarHBondContact OH-CE 3.45Å; Y1039-H1064 AromaticContact CE2-CE1 3.95Å; Y1039-H1064 AromaticContact CE2-ND1 3.55Å; Y1039-H1064 AromaticContact CZ-ND1 3.71Å; Y1039-H1064 PolarHBondContact OH-ND1 2.78Å
1040	R	94.6	Very high	93.9	Very high	54 Å²	54	40.7 Å²	40.7	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-43.7	-57.6	-177.5	-179.4	-167.6	-168.8	-82.4	-12.9	112.9	D973 E975 V1036 E1037 I1042 I1043 L1044	D973-R1040 IonicContact OD1-CZ 2.73Å; D973-R1040 IonicContact OD1-NE 3.93Å; D973-R1040 IonicContact OD1-NH2 2.63Å; D973-R1040 PolarHBondContact OD1-NH2 3.46Å; D973-R1040 WeakPolarHBondContact OD2-CD 3.35Å; D973-R1040 IonicContact OD2-CZ 3.46Å; D973-R1040 IonicContact OD2-NE 2.71Å; D973-R1040 PolarHBondContact OD2-NE 3.45Å; D973-R1040 IonicContact OD2-NH2 3.86Å; D973-R1040 PolarHBondContact OD2-NH2 3.34Å; E975-R1040 IonicContact OE2-CZ 2.72Å; E975-R1040 IonicContact OE2-NH1 2.79Å; E975-R1040 PolarHBondContact OE2-NH1 3.31Å; E975-R1040 IonicContact OE2-NH2 2.76Å; E975-R1040 PolarHBondContact OE2-NH2 3.1Å; V1036-R1040 PolarHBondContact O-N 2.65Å; E1037-R1040 VanDerWaalsContact O-CB 3.24Å; E1037-R1040 WeakPolarHBondContact O-CB 3.42Å; E1037-R1040 PolarHBondContact O-N 3.07Å; R1040-I1042 VanDerWaalsContact C-N 3.28Å; R1040-I1042 PolarHBondContact O-N 2.84Å; R1040-I1043 WeakPolarHBondContact O-CB 3.43Å; R1040-I1043 PolarHBondContact O-N 3.24Å; R1040-I1043 VanDerWaalsContact O-N 3.13Å; R1040-L1044 HydrophobicContact CG-CD1 3.88Å; R1040-L1044 VanDerWaalsContact CZ-CD1 3.43Å; R1040-L1044 WeakPolarHBondContact O-CG 3.41Å; R1040-L1044 PolarHBondContact O-N 3.36Å
1041	D	95.3	Very high	93.4	Very high	97 Å²	97	45.2 Å²	45.2	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-69.2	-30.8	-171.4	-56.8	-30.4	0	0	0	110.8	Y1039 L1044 E1045	Y1039-D1041 PolarHBondContact O-N 3.27Å; D1041-L1044 PolarHBondContact O-N 2.87Å; D1041-E1045 VanDerWaalsContact O-CB 3.23Å; D1041-E1045 WeakPolarHBondContact O-CB 3.32Å; D1041-E1045 VanDerWaalsContact O-CG 3.24Å; D1041-E1045 WeakPolarHBondContact O-CG 3.4Å; D1041-E1045 PolarHBondContact O-N 3.23Å
1042	I	95.1	Very high	93.1	Very high	72 Å²	72	48.8 Å²	48.8	37%	0.369	25%	0.25	S	C	.	.	H	α-helix	trans	-66.2	-43.2	172.8	-56.6	-179.9	0	0	0	110.8	Y1039 R1040 N1046 M1048 F1056	Y1039-I1042 HydrophobicContact CD1-CD1 4.21Å; Y1039-I1042 WeakPolarHBondContact O-CB 3.45Å; Y1039-I1042 PolarHBondContact O-N 3.21Å; Y1039-I1042 VanDerWaalsContact O-N 3.09Å; R1040-I1042 VanDerWaalsContact C-N 3.28Å; R1040-I1042 PolarHBondContact O-N 2.84Å; I1042-N1046 WeakPolarHBondContact O-CB 3.31Å; I1042-N1046 PolarHBondContact O-N 3.1Å; I1042-N1046 PolarHBondContact O-ND2 3.05Å; I1042-M1048 HydrophobicContact CG2-CE 3.82Å; I1042-F1056 HydrophobicContact CG2-CE2 4.42Å
1043	I	92.6	Very high	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-43	178.2	-66.6	165.8	0	0	0	110.5	L976 L979 V1036 Y1039 R1040 N1047 M1048 I1053 F1057	L976-I1043 HydrophobicContact CD1-CG2 3.86Å; L979-I1043 HydrophobicContact CD2-CG2 4.03Å; V1036-I1043 HydrophobicContact CG1-CD1 3.96Å; Y1039-I1043 WeakPolarHBondContact O-CG1 3.25Å; Y1039-I1043 PolarHBondContact O-N 2.8Å; R1040-I1043 WeakPolarHBondContact O-CB 3.43Å; R1040-I1043 PolarHBondContact O-N 3.24Å; R1040-I1043 VanDerWaalsContact O-N 3.13Å; I1043-N1047 PolarHBondContact O-N 2.99Å; I1043-M1048 HydrophobicContact CG1-SD 4.09Å; I1043-M1048 HydrophobicContact CG2-CB 4.34Å; I1043-M1048 PolarHBondContact O-N 2.93Å; I1043-I1053 HydrophobicContact CG2-CD1 4.07Å; I1043-I1053 HydrophobicContact CG2-CG1 4.32Å; I1043-F1057 HydrophobicContact CD1-CE2 4.31Å
1044	L	92.4	Very high	92.5	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.199	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-50.7	179.3	-67.3	174.1	0	0	0	113.1	E975 L976 L979 R1040 D1041 N1046 N1047	E975-L1044 HydrophobicContact CG-CD1 4.26Å; E975-L1044 HydrophobicContact CG-CD2 4.12Å; L976-L1044 HydrophobicContact CD1-CD2 4.43Å; L979-L1044 HydrophobicContact CB-CD2 4.05Å; L979-L1044 HydrophobicContact CD2-CD2 3.78Å; R1040-L1044 HydrophobicContact CG-CD1 3.88Å; R1040-L1044 VanDerWaalsContact CZ-CD1 3.43Å; R1040-L1044 WeakPolarHBondContact O-CG 3.41Å; R1040-L1044 PolarHBondContact O-N 3.36Å; D1041-L1044 PolarHBondContact O-N 2.87Å; L1044-N1046 VanDerWaalsContact C-N 3.25Å; L1044-N1046 PolarHBondContact O-N 2.9Å; L1044-N1047 PolarHBondContact O-N 2.85Å
1045	E	94.6	Very high	92.3	Very high	168 Å²	168	57 Å²	57	79%	0.785	29%	0.288	S	S	*	.	H	α-helix	trans	-61.8	-32.6	-177.3	-76	-176.6	166.1	0	0	112.7	D1041	D1041-E1045 VanDerWaalsContact O-CB 3.23Å; D1041-E1045 WeakPolarHBondContact O-CB 3.32Å; D1041-E1045 VanDerWaalsContact O-CG 3.24Å; D1041-E1045 WeakPolarHBondContact O-CG 3.4Å; D1041-E1045 PolarHBondContact O-N 3.23Å
1046	N	93.1	Very high	92.2	Very high	104 Å²	104	58.5 Å²	58.5	56%	0.556	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.9	177.8	-64.7	-87.1	0	0	0	113.2	I1042 L1044 M1048	I1042-N1046 WeakPolarHBondContact O-CB 3.31Å; I1042-N1046 PolarHBondContact O-N 3.1Å; I1042-N1046 PolarHBondContact O-ND2 3.05Å; L1044-N1046 VanDerWaalsContact C-N 3.25Å; L1044-N1046 PolarHBondContact O-N 2.9Å; N1046-M1048 VanDerWaalsContact C-N 3.26Å; N1046-M1048 HydrophobicContact CB-CE 4.05Å; N1046-M1048 HydrophobicContact CB-CG 3.94Å; N1046-M1048 PolarHBondContact O-N 2.74Å
1047	N	89.9	Confident	92.2	Very high	97 Å²	97	58.7 Å²	58.7	52%	0.519	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	46.4	-175	-167	102.5	0	0	0	111.7	L979 N983 I1043 L1044 D1049	L979-N1047 HydrophobicContact CD1-CB 4.44Å; L979-N1047 WeakPolarHBondContact CD1-OD1 3.16Å; N983-N1047 PolarHBondContact ND2-ND2 3.45Å; I1043-N1047 PolarHBondContact O-N 2.99Å; L1044-N1047 PolarHBondContact O-N 2.85Å; N1047-D1049 PolarHBondContact O-N 2.85Å
1048	M	90.2	Very high	92.1	Very high	25 Å²	25	60.7 Å²	60.7	12%	0.123	31%	0.307	C	S	.	.			trans	-61.3	137	-172.6	-66.9	-174.7	172	0	0	111.8	I1042 I1043 N1046 D1052 I1053 F1056	I1042-M1048 HydrophobicContact CG2-CE 3.82Å; I1043-M1048 HydrophobicContact CG1-SD 4.09Å; I1043-M1048 HydrophobicContact CG2-CB 4.34Å; I1043-M1048 PolarHBondContact O-N 2.93Å; N1046-M1048 VanDerWaalsContact C-N 3.26Å; N1046-M1048 HydrophobicContact CB-CE 4.05Å; N1046-M1048 HydrophobicContact CB-CG 3.94Å; N1046-M1048 PolarHBondContact O-N 2.74Å; M1048-D1052 HydrophobicContact CB-CB 3.84Å; M1048-D1052 HydrophobicContact CG-CB 4.13Å; M1048-I1053 HydrophobicContact CB-CG1 3.95Å; M1048-F1056 HydrophobicContact CE-CD2 4.33Å
1049	D	86	Confident	92.1	Very high	60 Å²	60	64.4 Å²	64.4	32%	0.321	32%	0.322	S	S	.	.			trans	-85.6	178	169.4	88.5	10.3	0	0	0	112.2	N1047 T1051 D1052 I1053	N1047-D1049 PolarHBondContact O-N 2.85Å; D1049-T1051 VanDerWaalsContact C-N 3.25Å; D1049-T1051 PolarHBondContact O-N 3.46Å; D1049-T1051 VanDerWaalsContact OD1-CA 3.25Å; D1049-T1051 WeakPolarHBondContact OD1-CA 3.44Å; D1049-T1051 WeakPolarHBondContact OD1-CB 3.37Å; D1049-T1051 PolarHBondContact OD1-N 3.03Å; D1049-T1051 PolarHBondContact OD1-OG1 3.42Å; D1049-D1052 PolarHBondContact N-OD2 2.87Å; D1049-D1052 PolarHBondContact O-N 3.45Å; D1049-D1052 PolarHBondContact OD1-N 3.46Å; D1049-I1053 WeakPolarHBondContact O-CB 3.07Å; D1049-I1053 VanDerWaalsContact O-CG1 3.28Å; D1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; D1049-I1053 PolarHBondContact O-N 2.99Å
1050	F	84.4	Confident	92.1	Very high	44 Å²	44	65.2 Å²	65.2	19%	0.193	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-35.6	-179.8	-170.7	-108.1	0	0	0	113.4	Y986 Y990 F991 I1054	Y986-F1050 AromaticContact CD1-CD2 3.88Å; Y986-F1050 HydrophobicContact CD1-CD2 3.88Å; Y986-F1050 HydrophobicContact CE1-CB 3.75Å; Y986-F1050 AromaticContact CE1-CD2 3.79Å; Y986-F1050 HydrophobicContact CE1-CD2 3.79Å; Y986-F1050 HydrophobicContact CE1-CG 4.26Å; Y986-F1050 PolarHBondContact OH-N 3.05Å; Y990-F1050 HydrophobicContact CD2-CE1 4.49Å; Y990-F1050 HydrophobicContact CD2-CZ 4.12Å; Y990-F1050 HydrophobicContact CG-CZ 4.49Å; F991-F1050 HydrophobicContact CD1-CD2 4.14Å; F991-F1050 AromaticContact CD1-CE2 3.75Å; F991-F1050 HydrophobicContact CD1-CE2 3.75Å; F991-F1050 HydrophobicContact CE1-CD2 4.48Å; F991-F1050 HydrophobicContact CE1-CE2 4.25Å; F1050-I1054 HydrophobicContact CD1-CD1 3.72Å; F1050-I1054 HydrophobicContact CE1-CD1 3.47Å; F1050-I1054 VanDerWaalsContact CE1-CD1 3.47Å; F1050-I1054 HydrophobicContact CZ-CD1 4.08Å; F1050-I1054 VanDerWaalsContact O-CG1 3.28Å; F1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; F1050-I1054 PolarHBondContact O-N 2.79Å
1051	T	87.2	Confident	92	Very high	94 Å²	94	63.8 Å²	63.8	58%	0.577	33%	0.327	S	S	*	.	H	α-helix	trans	-71.5	-44.5	177.6	-36.9	0	0	0	0	110.5	D1049 I1054 K1055	D1049-T1051 VanDerWaalsContact C-N 3.25Å; D1049-T1051 PolarHBondContact O-N 3.46Å; D1049-T1051 VanDerWaalsContact OD1-CA 3.25Å; D1049-T1051 WeakPolarHBondContact OD1-CA 3.44Å; D1049-T1051 WeakPolarHBondContact OD1-CB 3.37Å; D1049-T1051 PolarHBondContact OD1-N 3.03Å; D1049-T1051 PolarHBondContact OD1-OG1 3.42Å; T1051-I1054 PolarHBondContact O-N 3.25Å; T1051-K1055 WeakPolarHBondContact O-CB 3.43Å; T1051-K1055 PolarHBondContact O-N 3.44Å
1052	D	91.3	Very high	92	Very high	78 Å²	78	64.7 Å²	64.7	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-43.4	174.9	-71.6	-38.5	0	0	0	111.2	M1048 D1049 K1055 F1056	M1048-D1052 HydrophobicContact CB-CB 3.84Å; M1048-D1052 HydrophobicContact CG-CB 4.13Å; D1049-D1052 PolarHBondContact N-OD2 2.87Å; D1049-D1052 PolarHBondContact O-N 3.45Å; D1049-D1052 PolarHBondContact OD1-N 3.46Å; D1052-K1055 PolarHBondContact O-N 3.36Å; D1052-F1056 WeakPolarHBondContact O-CB 3.37Å; D1052-F1056 PolarHBondContact O-N 3.09Å
1053	I	90.4	Very high	92	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-46.9	175.9	-69.5	166.9	0	0	0	110.8	M980 F991 I1043 M1048 D1049 K1055 F1056 F1057	M980-I1053 HydrophobicContact CE-CD1 4.32Å; F991-I1053 HydrophobicContact CB-CG2 4.44Å; F991-I1053 HydrophobicContact CD1-CG2 3.83Å; F991-I1053 HydrophobicContact CD2-CG2 4.07Å; F991-I1053 HydrophobicContact CE1-CG2 3.99Å; F991-I1053 HydrophobicContact CE2-CG2 4.21Å; F991-I1053 HydrophobicContact CG-CG2 3.89Å; F991-I1053 HydrophobicContact CZ-CG2 4.17Å; I1043-I1053 HydrophobicContact CG2-CD1 4.07Å; I1043-I1053 HydrophobicContact CG2-CG1 4.32Å; M1048-I1053 HydrophobicContact CB-CG1 3.95Å; D1049-I1053 WeakPolarHBondContact O-CB 3.07Å; D1049-I1053 VanDerWaalsContact O-CG1 3.28Å; D1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; D1049-I1053 PolarHBondContact O-N 2.99Å; I1053-K1055 VanDerWaalsContact C-N 3.33Å; I1053-K1055 PolarHBondContact O-N 3Å; I1053-F1056 PolarHBondContact O-N 3Å; I1053-F1057 HydrophobicContact CG2-CD2 3.88Å; I1053-F1057 HydrophobicContact CG2-CE2 4.06Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.38Å; I1053-F1057 PolarHBondContact O-N 3.29Å
1054	I	90.6	Very high	92.2	Very high	56 Å²	56	70.3 Å²	70.3	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-56.9	-47.8	174.3	-75.8	169.2	0	0	0	110.5	F991 F1050 T1051 N1058	F991-I1054 HydrophobicContact CB-CG1 3.67Å; F1050-I1054 HydrophobicContact CD1-CD1 3.72Å; F1050-I1054 HydrophobicContact CE1-CD1 3.47Å; F1050-I1054 VanDerWaalsContact CE1-CD1 3.47Å; F1050-I1054 HydrophobicContact CZ-CD1 4.08Å; F1050-I1054 VanDerWaalsContact O-CG1 3.28Å; F1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; F1050-I1054 PolarHBondContact O-N 2.79Å; T1051-I1054 PolarHBondContact O-N 3.25Å; I1054-N1058 WeakPolarHBondContact O-CB 3.34Å; I1054-N1058 PolarHBondContact O-N 2.7Å; I1054-N1058 VanDerWaalsContact O-N 3.11Å; I1054-N1058 PolarHBondContact O-ND2 2.78Å
1055	K	93	Very high	92.4	Very high	116 Å²	116	72.4 Å²	72.4	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-64.6	-49	-178.1	-178.8	-176.7	168.7	-169.8	0	111.4	T1051 D1052 I1053 F1057 N1058 E1059	T1051-K1055 WeakPolarHBondContact O-CB 3.43Å; T1051-K1055 PolarHBondContact O-N 3.44Å; D1052-K1055 PolarHBondContact O-N 3.36Å; I1053-K1055 VanDerWaalsContact C-N 3.33Å; I1053-K1055 PolarHBondContact O-N 3Å; K1055-F1057 PolarHBondContact O-N 3.37Å; K1055-N1058 PolarHBondContact O-N 3.48Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.39Å; K1055-E1059 IonicContact NZ-OE1 2.76Å; K1055-E1059 WeakPolarHBondContact O-CG 3.45Å; K1055-E1059 PolarHBondContact O-N 3.48Å
1056	F	94.6	Very high	92.4	Very high	35 Å²	35	64.5 Å²	64.5	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-55.5	-49.9	179	173.7	-98.2	0	0	0	111.8	Y1039 I1042 M1048 D1052 I1053 N1058 E1059 M1060	Y1039-F1056 HydrophobicContact CD1-CE1 4.11Å; Y1039-F1056 AromaticContact CD1-CZ 3.73Å; Y1039-F1056 HydrophobicContact CD1-CZ 3.73Å; Y1039-F1056 AromaticContact CD2-CE1 3.81Å; Y1039-F1056 HydrophobicContact CD2-CE1 3.81Å; Y1039-F1056 HydrophobicContact CD2-CZ 4.27Å; Y1039-F1056 HydrophobicContact CE1-CZ 4.28Å; Y1039-F1056 HydrophobicContact CE2-CE1 4.46Å; Y1039-F1056 AromaticContact CG-CE1 3.61Å; Y1039-F1056 HydrophobicContact CG-CE1 3.61Å; Y1039-F1056 AromaticContact CG-CZ 3.72Å; Y1039-F1056 HydrophobicContact CG-CZ 3.72Å; I1042-F1056 HydrophobicContact CG2-CE2 4.42Å; M1048-F1056 HydrophobicContact CE-CD2 4.33Å; D1052-F1056 WeakPolarHBondContact O-CB 3.37Å; D1052-F1056 PolarHBondContact O-N 3.09Å; I1053-F1056 PolarHBondContact O-N 3Å; F1056-N1058 PolarHBondContact O-N 3.41Å; F1056-E1059 CarbonylContact O-C 3.53Å; F1056-E1059 PolarHBondContact O-N 2.93Å; F1056-M1060 HydrophobicContact CD2-CG 4.29Å; F1056-M1060 HydrophobicContact CE1-CG 4.17Å; F1056-M1060 HydrophobicContact CE2-CG 3.92Å; F1056-M1060 HydrophobicContact CZ-CG 3.86Å; F1056-M1060 WeakPolarHBondContact O-CB 3.23Å; F1056-M1060 WeakPolarHBondContact O-CG 3.48Å; F1056-M1060 PolarHBondContact O-N 3.14Å
1057	F	94.5	Very high	92.5	Very high	3 Å²	3	66.9 Å²	66.9	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-33.4	179.1	-81.5	-71	0	0	0	113.1	W995 L1035 V1036 Y1039 I1043 I1053 K1055 M1060 A1061 H1064	W995-F1057 AromaticContact CH2-CD1 3.83Å; W995-F1057 HydrophobicContact CH2-CD1 3.83Å; W995-F1057 HydrophobicContact CH2-CD2 4.17Å; W995-F1057 AromaticContact CH2-CE1 3.84Å; W995-F1057 HydrophobicContact CH2-CE1 3.84Å; W995-F1057 HydrophobicContact CH2-CE2 4.19Å; W995-F1057 HydrophobicContact CH2-CG 4.02Å; W995-F1057 HydrophobicContact CH2-CZ 4.04Å; W995-F1057 HydrophobicContact CZ2-CB 3.95Å; W995-F1057 AromaticContact CZ2-CD1 3.52Å; W995-F1057 HydrophobicContact CZ2-CD1 3.52Å; W995-F1057 HydrophobicContact CZ2-CD2 4.13Å; W995-F1057 HydrophobicContact CZ2-CE1 4.02Å; W995-F1057 AromaticContact CZ2-CG 3.6Å; W995-F1057 HydrophobicContact CZ2-CG 3.6Å; L1035-F1057 HydrophobicContact CB-CE1 4.31Å; V1036-F1057 HydrophobicContact CG2-CE2 4.46Å; V1036-F1057 HydrophobicContact CG2-CZ 4.35Å; Y1039-F1057 AromaticContact CD2-CE1 3.63Å; Y1039-F1057 HydrophobicContact CD2-CE1 3.63Å; Y1039-F1057 AromaticContact CD2-CZ 3.86Å; Y1039-F1057 HydrophobicContact CD2-CZ 3.86Å; Y1039-F1057 AromaticContact CE2-CE1 3.95Å; Y1039-F1057 HydrophobicContact CE2-CE1 3.95Å; I1043-F1057 HydrophobicContact CD1-CE2 4.31Å; I1053-F1057 HydrophobicContact CG2-CD2 3.88Å; I1053-F1057 HydrophobicContact CG2-CE2 4.06Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.38Å; I1053-F1057 PolarHBondContact O-N 3.29Å; K1055-F1057 PolarHBondContact O-N 3.37Å; F1057-M1060 PolarHBondContact O-N 3.2Å; F1057-A1061 PolarHBondContact O-N 2.82Å; F1057-A1061 VanDerWaalsContact O-N 3.08Å; F1057-H1064 AromaticContact CD1-CE1 3.87Å
1058	N	93.3	Very high	92.8	Very high	76 Å²	76	66.9 Å²	66.9	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-36.1	171.2	-80.1	-65.5	0	0	0	113	R994 I1054 K1055 F1056 M1060	R994-N1058 VanDerWaalsContact CZ-OD1 3.31Å; R994-N1058 PolarHBondContact NH1-OD1 3.17Å; R994-N1058 PolarHBondContact NH2-OD1 3.1Å; I1054-N1058 WeakPolarHBondContact O-CB 3.34Å; I1054-N1058 PolarHBondContact O-N 2.7Å; I1054-N1058 VanDerWaalsContact O-N 3.11Å; I1054-N1058 PolarHBondContact O-ND2 2.78Å; K1055-N1058 PolarHBondContact O-N 3.48Å; F1056-N1058 PolarHBondContact O-N 3.41Å; N1058-M1060 VanDerWaalsContact C-N 3.31Å
1059	E	95.5	Very high	93.2	Very high	109 Å²	109	65.9 Å²	65.9	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-76.4	-17.7	175	-70.9	178.9	-173.8	0	0	112.9	K1055 F1056 R1063	K1055-E1059 WeakPolarHBondContact CE-OE1 3.39Å; K1055-E1059 IonicContact NZ-OE1 2.76Å; K1055-E1059 WeakPolarHBondContact O-CG 3.45Å; K1055-E1059 PolarHBondContact O-N 3.48Å; F1056-E1059 CarbonylContact O-C 3.53Å; F1056-E1059 PolarHBondContact O-N 2.93Å; E1059-R1063 PolarHBondContact O-NH1 2.97Å
1060	M	94.8	Very high	93.8	Very high	43 Å²	43	63.2 Å²	63.2	21%	0.212	30%	0.303	C	S	.	.	H	α-helix	trans	-99.2	-1.3	177.3	-73.1	-62.2	-62.2	0	0	114.6	Y1039 F1056 F1057 N1058 R1063 H1064	Y1039-M1060 HydrophobicContact CE1-CE 3.99Å; Y1039-M1060 WeakPolarHBondContact OH-CE 3.45Å; F1056-M1060 HydrophobicContact CD2-CG 4.29Å; F1056-M1060 HydrophobicContact CE1-CG 4.17Å; F1056-M1060 HydrophobicContact CE2-CG 3.92Å; F1056-M1060 HydrophobicContact CZ-CG 3.86Å; F1056-M1060 WeakPolarHBondContact O-CB 3.23Å; F1056-M1060 WeakPolarHBondContact O-CG 3.48Å; F1056-M1060 PolarHBondContact O-N 3.14Å; F1057-M1060 PolarHBondContact O-N 3.2Å; N1058-M1060 VanDerWaalsContact C-N 3.31Å; M1060-R1063 HydrophobicContact CE-CB 4.06Å; M1060-R1063 WeakPolarHBondContact O-CB 3.5Å; M1060-R1063 PolarHBondContact O-N 3.08Å; M1060-H1064 PolarHBondContact O-CE1 3.35Å
1061	A	94	Very high	94.3	Very high	24 Å²	24	67.2 Å²	67.2	20%	0.198	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	139.6	173.5	0	0	0	0	0	111.5	F1057 R1063	F1057-A1061 PolarHBondContact O-N 2.82Å; F1057-A1061 VanDerWaalsContact O-N 3.08Å; A1061-R1063 PolarHBondContact O-N 3.36Å
1062	E	95.2	Very high	94.8	Very high	116 Å²	116	64.4 Å²	64.4	54%	0.542	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	8	-173.9	-59.5	-177	-175.2	0	0	114.9	E1003 V1005	E1003-E1062 WeakPolarHBondContact O-CA 3.27Å; E1003-E1062 PolarHBondContact O-N 3.47Å; V1005-E1062 HydrophobicContact CG1-CB 3.85Å; V1005-E1062 HydrophobicContact CG1-CG 4.24Å
1063	R	95.4	Very high	95.2	Very high	178 Å²	178	60.7 Å²	60.7	67%	0.672	28%	0.282	S	S	*	.			trans	-118.2	7.5	-177.7	-56.8	167.4	-176.8	175	-3.1	114.2	E1059 M1060 A1061	E1059-R1063 PolarHBondContact O-NH1 2.97Å; M1060-R1063 HydrophobicContact CE-CB 4.06Å; M1060-R1063 WeakPolarHBondContact O-CB 3.5Å; M1060-R1063 PolarHBondContact O-N 3.08Å; A1061-R1063 PolarHBondContact O-N 3.36Å
1064	H	95.3	Very high	95.5	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.056	29%	0.289	C	S	.	.	S	Bend	trans	-76	144.1	-179.3	-58.7	-46.2	0	0	0	112.4	E1003 L1004 L1035 Y1039 F1057 M1060 T1066	E1003-H1064 PolarHBondContact O-CD2 3.38Å; E1003-H1064 VanDerWaalsContact O-CD2 3.27Å; L1004-H1064 HydrophobicContact CD2-CB 4.28Å; L1035-H1064 HydrophobicContact CD2-CB 4.04Å; Y1039-H1064 AromaticContact CE2-CE1 3.95Å; Y1039-H1064 AromaticContact CE2-ND1 3.55Å; Y1039-H1064 AromaticContact CZ-ND1 3.71Å; Y1039-H1064 PolarHBondContact OH-ND1 2.78Å; F1057-H1064 AromaticContact CD1-CE1 3.87Å; M1060-H1064 PolarHBondContact O-CE1 3.35Å; H1064-T1066 VanDerWaalsContact C-N 3.34Å; H1064-T1066 PolarHBondContact O-N 3.46Å
1065	N	96.1	Very high	95.7	Very high	81 Å²	81	63.4 Å²	63.4	43%	0.433	29%	0.294	S	S	.	.			trans	-80.9	82.2	171	-177	-5.7	0	0	0	110	K1067 Q1068 V1069	N1065-K1067 PolarHBondContact O-N 3.41Å; N1065-K1067 VanDerWaalsContact O-N 3.17Å; N1065-Q1068 HydrophobicContact CB-CB 3.99Å; N1065-Q1068 VanDerWaalsContact CG-CB 3.47Å; N1065-Q1068 WeakPolarHBondContact ND2-CB 3.49Å; N1065-Q1068 PolarHBondContact ND2-OE1 2.82Å; N1065-Q1068 WeakPolarHBondContact O-CA 3.48Å; N1065-Q1068 WeakPolarHBondContact O-CB 3.28Å; N1065-Q1068 PolarHBondContact O-N 2.86Å; N1065-Q1068 PolarHBondContact OD1-N 3.16Å; N1065-V1069 WeakPolarHBondContact O-CG2 3.25Å; N1065-V1069 PolarHBondContact O-N 3.45Å
1066	T	96.4	Very high	95.8	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-55.6	-35.5	-173.5	-54.3	0	0	0	0	113.7	L1004 D1008 V1012 H1064 Q1068 V1069 L1070	L1004-T1066 WeakPolarHBondContact CD2-OG1 3.39Å; D1008-T1066 HydrophobicContact CB-CG2 3.83Å; D1008-T1066 WeakPolarHBondContact CB-OG1 3.44Å; D1008-T1066 WeakPolarHBondContact OD1-CB 3.5Å; D1008-T1066 WeakPolarHBondContact OD2-CB 3.33Å; D1008-T1066 PolarHBondContact OD2-OG1 3.3Å; V1012-T1066 HydrophobicContact CG2-CG2 3.44Å; V1012-T1066 VanDerWaalsContact CG2-CG2 3.44Å; H1064-T1066 VanDerWaalsContact C-N 3.34Å; H1064-T1066 PolarHBondContact O-N 3.46Å; T1066-Q1068 PolarHBondContact O-N 3.25Å; T1066-V1069 PolarHBondContact O-N 3.3Å; T1066-L1070 HydrophobicContact CG2-CD1 4.11Å; T1066-L1070 HydrophobicContact CG2-CG 4.34Å; T1066-L1070 WeakPolarHBondContact O-CB 3.03Å; T1066-L1070 WeakPolarHBondContact O-CG 3.33Å; T1066-L1070 PolarHBondContact O-N 3.42Å
1067	K	94.6	Very high	95.8	Very high	154 Å²	154	56.2 Å²	56.2	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-67.1	-36.3	176.7	-66.3	-178.5	-179.6	178.7	0	112.3	L1011 N1065 K1071	L1011-K1067 HydrophobicContact CD2-CG 4.45Å; N1065-K1067 PolarHBondContact O-N 3.41Å; N1065-K1067 VanDerWaalsContact O-N 3.17Å; K1067-K1071 WeakPolarHBondContact O-CB 3.47Å; K1067-K1071 PolarHBondContact O-N 3.27Å; K1067-K1071 VanDerWaalsContact O-N 3.12Å
1068	Q	97	Very high	95.8	Very high	96 Å²	96	62.2 Å²	62.2	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-71.5	-43.9	173.3	179.2	179.3	-8.5	0	0	111.6	V1038 N1065 T1066 K1071 L1072	V1038-Q1068 HydrophobicContact CG2-CG 4.16Å; N1065-Q1068 HydrophobicContact CB-CB 3.99Å; N1065-Q1068 VanDerWaalsContact CG-CB 3.47Å; N1065-Q1068 WeakPolarHBondContact ND2-CB 3.49Å; N1065-Q1068 PolarHBondContact ND2-OE1 2.82Å; N1065-Q1068 WeakPolarHBondContact O-CA 3.48Å; N1065-Q1068 WeakPolarHBondContact O-CB 3.28Å; N1065-Q1068 PolarHBondContact O-N 2.86Å; N1065-Q1068 PolarHBondContact OD1-N 3.16Å; T1066-Q1068 PolarHBondContact O-N 3.25Å; Q1068-K1071 PolarHBondContact O-N 3.12Å; Q1068-L1072 WeakPolarHBondContact O-CB 3.33Å; Q1068-L1072 PolarHBondContact O-N 2.95Å
1069	V	98.1	Very high	95.7	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-49.8	175.9	172.9	0	0	0	0	110.9	I1031 A1034 L1035 V1038 N1065 T1066 K1071 L1072 A1073	I1031-V1069 HydrophobicContact CG2-CG1 4.01Å; A1034-V1069 HydrophobicContact CB-CG1 3.96Å; A1034-V1069 WeakPolarHBondContact CB-O 3.24Å; L1035-V1069 HydrophobicContact CD2-CG1 4.18Å; L1035-V1069 HydrophobicContact CD2-CG2 3.75Å; L1035-V1069 HydrophobicContact CG-CG1 3.91Å; L1035-V1069 HydrophobicContact CG-CG2 4.31Å; V1038-V1069 HydrophobicContact CG2-CG2 4.13Å; N1065-V1069 WeakPolarHBondContact O-CG2 3.25Å; N1065-V1069 PolarHBondContact O-N 3.45Å; T1066-V1069 PolarHBondContact O-N 3.3Å; V1069-K1071 VanDerWaalsContact C-N 3.33Å; V1069-K1071 PolarHBondContact O-N 3.45Å; V1069-L1072 PolarHBondContact O-N 3Å; V1069-A1073 WeakPolarHBondContact O-CB 3.36Å; V1069-A1073 PolarHBondContact O-N 2.79Å
1070	L	97.5	Very high	95.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-32.3	178.3	-74.4	178.1	0	0	0	112.9	L1011 V1012 T1015 Y1027 I1031 T1066 R1074	L1011-L1070 HydrophobicContact CD2-CD1 4.03Å; L1011-L1070 HydrophobicContact CG-CD1 3.78Å; V1012-L1070 HydrophobicContact CG2-CD1 3.94Å; V1012-L1070 HydrophobicContact CG2-CD2 4.11Å; V1012-L1070 HydrophobicContact CG2-CG 4.14Å; T1015-L1070 HydrophobicContact CG2-CD2 4.1Å; Y1027-L1070 HydrophobicContact CE1-CD2 4.23Å; Y1027-L1070 PolarHBondContact OH-O 3.3Å; I1031-L1070 HydrophobicContact CD1-CD2 3.98Å; I1031-L1070 HydrophobicContact CG1-CD2 4.2Å; T1066-L1070 HydrophobicContact CG2-CD1 4.11Å; T1066-L1070 HydrophobicContact CG2-CG 4.34Å; T1066-L1070 WeakPolarHBondContact O-CB 3.03Å; T1066-L1070 WeakPolarHBondContact O-CG 3.33Å; T1066-L1070 PolarHBondContact O-N 3.42Å; L1070-R1074 WeakPolarHBondContact O-CG 3.48Å; L1070-R1074 PolarHBondContact O-N 3.26Å; L1070-R1074 PolarHBondContact O-NE 2.85Å
1071	K	96.3	Very high	95.2	Very high	128 Å²	128	55.9 Å²	55.9	56%	0.557	25%	0.252	S	S	*	.	H	α-helix	trans	-63.4	-52.7	170	-175.7	-175	172	-175.3	0	110.7	K1067 Q1068 V1069 A1073 R1074 D1075	K1067-K1071 WeakPolarHBondContact O-CB 3.47Å; K1067-K1071 PolarHBondContact O-N 3.27Å; K1067-K1071 VanDerWaalsContact O-N 3.12Å; Q1068-K1071 PolarHBondContact O-N 3.12Å; V1069-K1071 VanDerWaalsContact C-N 3.33Å; V1069-K1071 PolarHBondContact O-N 3.45Å; K1071-A1073 VanDerWaalsContact C-N 3.29Å; K1071-A1073 PolarHBondContact O-N 2.73Å; K1071-R1074 WeakPolarHBondContact O-CB 3.41Å; K1071-R1074 PolarHBondContact O-N 2.89Å; K1071-D1075 PolarHBondContact O-N 3.18Å
1072	L	97.6	Very high	94.8	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-35.1	-177.3	-176	59.7	0	0	0	112.1	A1034 E1037 V1038 Q1068 V1069 R1074 D1075 L1076	A1034-L1072 HydrophobicContact CB-CB 4.03Å; A1034-L1072 HydrophobicContact CB-CD2 4.3Å; A1034-L1072 HydrophobicContact CB-CG 4.11Å; E1037-L1072 HydrophobicContact CB-CD2 3.74Å; V1038-L1072 HydrophobicContact CG2-CD2 3.9Å; Q1068-L1072 WeakPolarHBondContact O-CB 3.33Å; Q1068-L1072 PolarHBondContact O-N 2.95Å; V1069-L1072 PolarHBondContact O-N 3Å; L1072-R1074 VanDerWaalsContact C-N 3.34Å; L1072-R1074 PolarHBondContact O-N 2.82Å; L1072-D1075 PolarHBondContact O-N 3.35Å; L1072-L1076 HydrophobicContact CD1-CG 4.43Å; L1072-L1076 HydrophobicContact CG-CD1 4.04Å; L1072-L1076 HydrophobicContact CG-CG 4.41Å; L1072-L1076 WeakPolarHBondContact O-CB 3.24Å; L1072-L1076 WeakPolarHBondContact O-CD1 3.47Å; L1072-L1076 WeakPolarHBondContact O-CG 3.2Å; L1072-L1076 PolarHBondContact O-N 3.03Å
1073	A	98.1	Very high	94.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-41.4	172.8	0	0	0	0	0	112.4	Y1027 F1030 I1031 A1034 V1069 K1071 L1076 V1077	Y1027-A1073 HydrophobicContact CE2-CB 4.34Å; Y1027-A1073 WeakPolarHBondContact OH-CB 3.29Å; F1030-A1073 HydrophobicContact CB-CB 4.26Å; F1030-A1073 WeakPolarHBondContact O-CB 3.48Å; I1031-A1073 HydrophobicContact CG1-CB 4.21Å; A1034-A1073 HydrophobicContact CB-CB 3.96Å; V1069-A1073 WeakPolarHBondContact O-CB 3.36Å; V1069-A1073 PolarHBondContact O-N 2.79Å; K1071-A1073 VanDerWaalsContact C-N 3.29Å; K1071-A1073 PolarHBondContact O-N 2.73Å; A1073-L1076 PolarHBondContact O-N 2.6Å; A1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; A1073-V1077 PolarHBondContact O-N 3.32Å
1074	R	96.7	Very high	93.5	Very high	42 Å²	42	46.7 Å²	46.7	16%	0.158	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-41.7	174.1	-64.5	-177.9	-76.5	-126.4	1.1	111.6	Y614 Y615 Y1027 L1070 K1071 L1072 L1076 V1077 Y1078	Y614-R1074 HydrophobicContact CE1-CG 4.17Å; Y614-R1074 HydrophobicContact CE2-CG 4.31Å; Y614-R1074 PolarHBondContact O-NH1 3.24Å; Y615-R1074 PolarHBondContact O-NH1 3.18Å; Y1027-R1074 HydrophobicContact CE2-CG 4.44Å; Y1027-R1074 WeakPolarHBondContact OH-CG 3.41Å; L1070-R1074 WeakPolarHBondContact O-CG 3.48Å; L1070-R1074 PolarHBondContact O-N 3.26Å; L1070-R1074 PolarHBondContact O-NE 2.85Å; K1071-R1074 WeakPolarHBondContact O-CB 3.41Å; K1071-R1074 PolarHBondContact O-N 2.89Å; L1072-R1074 VanDerWaalsContact C-N 3.34Å; L1072-R1074 PolarHBondContact O-N 2.82Å; R1074-L1076 VanDerWaalsContact C-N 3.31Å; R1074-L1076 PolarHBondContact O-N 2.84Å; R1074-V1077 PolarHBondContact O-N 3.1Å; R1074-Y1078 PolarHBondContact O-N 3.19Å
1075	D	95.7	Very high	92.4	Very high	71 Å²	71	51.9 Å²	51.9	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-37.6	175.6	-64	-25.9	0	0	0	111.4	K1071 L1072 Y1078 K1079	K1071-D1075 PolarHBondContact O-N 3.18Å; L1072-D1075 PolarHBondContact O-N 3.35Å; D1075-Y1078 PolarHBondContact O-N 3.25Å; D1075-K1079 WeakPolarHBondContact O-CG 3.03Å; D1075-K1079 PolarHBondContact O-N 3.27Å
1076	L	95.6	Very high	90.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.6	-40.9	175.3	-71.4	162.1	0	0	0	112.8	L972 F1030 L1033 A1034 E1037 L1072 A1073 R1074 Y1078 K1079 V1080	L972-L1076 HydrophobicContact CD1-CD2 4.15Å; F1030-L1076 HydrophobicContact CD1-CB 3.98Å; L1033-L1076 HydrophobicContact CB-CD1 4.21Å; L1033-L1076 HydrophobicContact CD2-CD1 4.02Å; L1033-L1076 HydrophobicContact CD2-CD2 3.95Å; L1033-L1076 HydrophobicContact CD2-CG 4.47Å; L1033-L1076 HydrophobicContact CG-CD1 3.83Å; L1033-L1076 HydrophobicContact CG-CD2 4.4Å; A1034-L1076 HydrophobicContact CB-CD1 4.01Å; E1037-L1076 VanDerWaalsContact OE1-CD2 3.25Å; E1037-L1076 WeakPolarHBondContact OE1-CD2 3.5Å; L1072-L1076 HydrophobicContact CD1-CG 4.43Å; L1072-L1076 HydrophobicContact CG-CD1 4.04Å; L1072-L1076 HydrophobicContact CG-CG 4.41Å; L1072-L1076 WeakPolarHBondContact O-CB 3.24Å; L1072-L1076 WeakPolarHBondContact O-CD1 3.47Å; L1072-L1076 WeakPolarHBondContact O-CG 3.2Å; L1072-L1076 PolarHBondContact O-N 3.03Å; A1073-L1076 PolarHBondContact O-N 2.6Å; R1074-L1076 VanDerWaalsContact C-N 3.31Å; R1074-L1076 PolarHBondContact O-N 2.84Å; L1076-Y1078 VanDerWaalsContact C-N 3.34Å; L1076-K1079 HydrophobicContact CD2-CD 4.13Å; L1076-K1079 PolarHBondContact O-N 3.05Å; L1076-V1080 PolarHBondContact O-N 3.37Å; L1076-V1080 VanDerWaalsContact O-N 3.08Å
1077	V	95.2	Very high	88.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-45.7	171.2	171	0	0	0	0	110.4	V572 Y1027 F1030 A1073 R1074 K1079 V1080 Q1081	V572-V1077 HydrophobicContact CB-CG1 4.49Å; V572-V1077 HydrophobicContact CG1-CG1 3.99Å; Y1027-V1077 HydrophobicContact CD2-CG2 4.01Å; Y1027-V1077 HydrophobicContact CE2-CG2 3.97Å; F1030-V1077 HydrophobicContact CB-CG2 3.93Å; F1030-V1077 HydrophobicContact CD1-CB 4.37Å; F1030-V1077 HydrophobicContact CD1-CG2 3.49Å; F1030-V1077 VanDerWaalsContact CD1-CG2 3.49Å; F1030-V1077 HydrophobicContact CD2-CG2 3.72Å; F1030-V1077 HydrophobicContact CE1-CB 4.48Å; F1030-V1077 HydrophobicContact CE1-CG2 3.85Å; F1030-V1077 HydrophobicContact CE2-CG2 4.06Å; F1030-V1077 HydrophobicContact CG-CG2 3.41Å; F1030-V1077 VanDerWaalsContact CG-CG2 3.41Å; F1030-V1077 HydrophobicContact CZ-CG2 4.12Å; A1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; A1073-V1077 PolarHBondContact O-N 3.32Å; R1074-V1077 PolarHBondContact O-N 3.1Å; V1077-K1079 PolarHBondContact O-N 3.31Å; V1077-V1080 PolarHBondContact O-N 2.68Å; V1077-V1080 VanDerWaalsContact O-N 3.14Å; V1077-Q1081 HydrophobicContact CG1-CG 4.26Å; V1077-Q1081 WeakPolarHBondContact O-CG 3.42Å; V1077-Q1081 PolarHBondContact O-N 3.24Å
1078	Y	93.1	Very high	88.1	Confident	130 Å²	130	58.8 Å²	58.8	51%	0.51	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-40.5	178.2	177.5	-104.8	0	0	0	112.9	I576 R1074 D1075 L1076 V1080 Q1081 T1082	I576-Y1078 HydrophobicContact CD1-CD2 4.35Å; I576-Y1078 HydrophobicContact CD1-CE2 4.05Å; I576-Y1078 HydrophobicContact CG2-CD2 3.9Å; I576-Y1078 HydrophobicContact CG2-CE2 3.92Å; R1074-Y1078 PolarHBondContact O-N 3.19Å; D1075-Y1078 PolarHBondContact O-N 3.25Å; L1076-Y1078 VanDerWaalsContact C-N 3.34Å; Y1078-V1080 VanDerWaalsContact C-N 3.33Å; Y1078-V1080 PolarHBondContact O-N 3.2Å; Y1078-Q1081 PolarHBondContact O-N 2.97Å; Y1078-T1082 WeakPolarHBondContact O-CB 3.35Å; Y1078-T1082 PolarHBondContact O-N 3.4Å; Y1078-T1082 PolarHBondContact O-OG1 3Å
1079	K	91.1	Very high	87.6	Confident	83 Å²	83	56.8 Å²	56.8	36%	0.361	27%	0.265	S	S	.	.	H	α-helix	trans	-54.3	-49.1	170	-73.6	174.7	-169.9	174.6	0	110.5	L972 D1075 L1076 V1077 T1082 L1083	L972-K1079 HydrophobicContact CD2-CB 4.31Å; L972-K1079 HydrophobicContact CD2-CD 4.49Å; D1075-K1079 WeakPolarHBondContact O-CG 3.03Å; D1075-K1079 PolarHBondContact O-N 3.27Å; L1076-K1079 HydrophobicContact CD2-CD 4.13Å; L1076-K1079 PolarHBondContact O-N 3.05Å; V1077-K1079 PolarHBondContact O-N 3.31Å; K1079-T1082 PolarHBondContact O-N 2.97Å; K1079-L1083 WeakPolarHBondContact O-CB 3.28Å; K1079-L1083 VanDerWaalsContact O-CG 3.29Å; K1079-L1083 WeakPolarHBondContact O-CG 3.28Å; K1079-L1083 PolarHBondContact O-N 3.13Å
1080	V	90.5	Very high	87	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-43.4	-178.8	171.5	0	0	0	0	112.5	L568 V572 L968 L972 F1030 L1076 V1077 Y1078 T1082 L1083 I1084	L568-V1080 HydrophobicContact CB-CG1 4.04Å; L568-V1080 HydrophobicContact CD1-CG1 4.13Å; L568-V1080 HydrophobicContact CD1-CG2 4.46Å; L568-V1080 HydrophobicContact CG-CG1 4.49Å; V572-V1080 HydrophobicContact CG1-CB 4.31Å; V572-V1080 HydrophobicContact CG1-CG1 3.9Å; V572-V1080 HydrophobicContact CG2-CG1 3.86Å; L968-V1080 HydrophobicContact CD2-CG2 4.1Å; L972-V1080 HydrophobicContact CD1-CG2 3.91Å; L972-V1080 HydrophobicContact CD2-CG2 4.14Å; F1030-V1080 HydrophobicContact CE1-CB 4.37Å; F1030-V1080 HydrophobicContact CE1-CG2 3.98Å; L1076-V1080 PolarHBondContact O-N 3.37Å; L1076-V1080 VanDerWaalsContact O-N 3.08Å; V1077-V1080 PolarHBondContact O-N 2.68Å; V1077-V1080 VanDerWaalsContact O-N 3.14Å; Y1078-V1080 VanDerWaalsContact C-N 3.33Å; Y1078-V1080 PolarHBondContact O-N 3.2Å; V1080-T1082 VanDerWaalsContact C-N 3.35Å; V1080-T1082 PolarHBondContact O-N 2.98Å; V1080-L1083 PolarHBondContact O-N 3.25Å; V1080-I1084 HydrophobicContact CG1-CD1 3.86Å; V1080-I1084 WeakPolarHBondContact O-CD1 3.18Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.43Å; V1080-I1084 PolarHBondContact O-N 3.22Å; V1080-I1084 VanDerWaalsContact O-N 3.07Å
1081	Q	89.8	Confident	86.4	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-49.2	173.6	-70.8	175.9	-46.2	0	0	110.9	V572 N573 M575 I576 V1077 Y1078 L1083 I1084 E1085	V572-Q1081 HydrophobicContact CB-CG 4.02Å; V572-Q1081 HydrophobicContact CG2-CG 3.74Å; N573-Q1081 PolarHBondContact O-NE2 2.94Å; M575-Q1081 PolarHBondContact O-NE2 3.23Å; I576-Q1081 HydrophobicContact CD1-CB 4.19Å; I576-Q1081 HydrophobicContact CG1-CB 3.97Å; I576-Q1081 HydrophobicContact CG1-CG 4.47Å; V1077-Q1081 HydrophobicContact CG1-CG 4.26Å; V1077-Q1081 WeakPolarHBondContact O-CG 3.42Å; V1077-Q1081 PolarHBondContact O-N 3.24Å; Y1078-Q1081 PolarHBondContact O-N 2.97Å; Q1081-L1083 VanDerWaalsContact C-N 3.33Å; Q1081-L1083 PolarHBondContact O-N 3.17Å; Q1081-I1084 WeakPolarHBondContact O-CB 3.45Å; Q1081-I1084 PolarHBondContact O-N 2.82Å; Q1081-E1085 PolarHBondContact O-N 3.07Å; Q1081-E1085 VanDerWaalsContact O-N 3.09Å
1082	T	85.9	Confident	85.8	Confident	41 Å²	41	59 Å²	59	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-39.5	177.3	-55.3	0	0	0	0	112.2	Y1078 K1079 V1080 I1084 E1085 N1086	Y1078-T1082 WeakPolarHBondContact O-CB 3.35Å; Y1078-T1082 PolarHBondContact O-N 3.4Å; Y1078-T1082 PolarHBondContact O-OG1 3Å; K1079-T1082 PolarHBondContact O-N 2.97Å; V1080-T1082 VanDerWaalsContact C-N 3.35Å; V1080-T1082 PolarHBondContact O-N 2.98Å; T1082-I1084 VanDerWaalsContact C-N 3.26Å; T1082-I1084 PolarHBondContact O-N 3.46Å; T1082-E1085 PolarHBondContact O-N 2.83Å; T1082-N1086 PolarHBondContact O-N 3.22Å; T1082-N1086 PolarHBondContact O-ND2 2.83Å
1083	L	82.4	Confident	85	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-25.6	174.4	-75.4	169.5	0	0	0	113	R565 I971 L972 K1079 V1080 Q1081	R565-L1083 PolarHBondContact NE-O 2.98Å; R565-L1083 PolarHBondContact NH2-O 3.47Å; I971-L1083 HydrophobicContact CG2-CD1 4.46Å; L972-L1083 HydrophobicContact CD2-CD1 3.98Å; K1079-L1083 WeakPolarHBondContact O-CB 3.28Å; K1079-L1083 VanDerWaalsContact O-CG 3.29Å; K1079-L1083 WeakPolarHBondContact O-CG 3.28Å; K1079-L1083 PolarHBondContact O-N 3.13Å; V1080-L1083 PolarHBondContact O-N 3.25Å; Q1081-L1083 VanDerWaalsContact C-N 3.33Å; Q1081-L1083 PolarHBondContact O-N 3.17Å
1084	I	80.1	Confident	84.1	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-82.1	-35.9	177.2	-66.9	156	0	0	0	112	R565 L568 V572 V1080 Q1081 T1082 K1087	R565-I1084 HydrophobicContact CG-CB 4.44Å; R565-I1084 HydrophobicContact CG-CG1 4.22Å; R565-I1084 HydrophobicContact CG-CG2 4.44Å; L568-I1084 HydrophobicContact CB-CD1 4.4Å; V572-I1084 HydrophobicContact CG2-CD1 3.42Å; V572-I1084 VanDerWaalsContact CG2-CD1 3.42Å; V1080-I1084 HydrophobicContact CG1-CD1 3.86Å; V1080-I1084 WeakPolarHBondContact O-CD1 3.18Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.43Å; V1080-I1084 PolarHBondContact O-N 3.22Å; V1080-I1084 VanDerWaalsContact O-N 3.07Å; Q1081-I1084 WeakPolarHBondContact O-CB 3.45Å; Q1081-I1084 PolarHBondContact O-N 2.82Å; T1082-I1084 VanDerWaalsContact C-N 3.26Å; T1082-I1084 PolarHBondContact O-N 3.46Å; I1084-K1087 VanDerWaalsContact O-CE 3.24Å; I1084-K1087 WeakPolarHBondContact O-CE 3.44Å; I1084-K1087 WeakPolarHBondContact O-CG 3.14Å
1085	E	72.2	Confident	83.1	Confident	121 Å²	121	66.6 Å²	66.6	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-70.3	-34.2	-179.3	-69.1	-164.9	141.4	0	0	114	Q1081 T1082 K1087	Q1081-E1085 PolarHBondContact O-N 3.07Å; Q1081-E1085 VanDerWaalsContact O-N 3.09Å; T1082-E1085 PolarHBondContact O-N 2.83Å; E1085-K1087 PolarHBondContact O-N 3.38Å
1086	N	59.1	Low	82.1	Confident	112 Å²	112	66.3 Å²	66.3	60%	0.599	31%	0.309	S	S	*	.			trans	-73.3	65.3	-176.9	-79.5	-75.3	0	0	0	113.6	R565 T1082	R565-N1086 VanDerWaalsContact CZ-O 3.26Å; R565-N1086 PolarHBondContact NH1-O 3.46Å; R565-N1086 PolarHBondContact NH2-O 3.49Å; T1082-N1086 PolarHBondContact O-N 3.22Å; T1082-N1086 PolarHBondContact O-ND2 2.83Å
1087	K	50.1	Low	80.9	Confident	213 Å²	213	72.3 Å²	72.3	93%	0.926	34%	0.337	S	S	*	.			trans	-80.9	0	-172	-71	179.4	179.4	170.4	0	115.8	I1084 E1085	I1084-K1087 VanDerWaalsContact O-CE 3.24Å; I1084-K1087 WeakPolarHBondContact O-CE 3.44Å; I1084-K1087 WeakPolarHBondContact O-CG 3.14Å; E1085-K1087 PolarHBondContact O-N 3.38Å

Retrieved 1,087 of 1,087 residues in 192.7 ms (Link to these results)

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