A0A3Q0KHX7_SCHMA Loading...

NARG2_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 837 aa.

						>A0A3Q0KHX7_SCHMA|A0A3Q0KHX7
MVLSTGWDLVPYSNLLEVQREVFEYFTDLRSIAKPSHPDFVSDVCMPDIDLICTCFIKPEYSITATDVKLFKELLKISSVDGNKSSHSKKREMNKLQKLHSLILQAQISVQRQLELANPCSHNGLPLTNEKQLMELQGKEQTFYINTLPSFYKLSGTTKSVTNFSTVTFTFIEFLQRNYFIYKVPSIEMFSVNKQIDATYYFEKMLPFPTSVYKQIHHSVEYLVLLTENVLNCLFLLKALVGVYVPFDVTVENTDASFSRKTIQFGNIILTSPFPPRVRARLFYESLVKQLCFEHNSDDQERLKCALSTNKVIEKINISSPRTLRSCTKAQEYGLSVNKLDPTEALSDTDDELRIDLDERDSNDHSSKQSSSSICNPGNVANFCTVVERSTNKQQENTNSLSVINFSSTPDSPADETPKSPCFNQIIESKSIIHSPSPRIIPLEPIKIMCELSQDSSSLETISLSKRLTFNSPTSNKMNKTEVNQESNKNSVKAYSYSSLKLGNKNLLVQFCDTIWSNNESCQTCKTSPSDGQCPHWPSCNTRNQTNSIMDDESKKSNVKPICVQIKPEYLGDWGCEILENQELELSWLGSFIRNNSDILRIRLYPNSGKIILIEYQSMEEMLKTYPHFKPQDNVNRLSGLLDQLFNLEPGSYLLTQTKIASDNSFDIYQFVSDQSFDKDVHQINLNQISSHFSTSSERLLNLLSLDDDKFNGTTIPEEIASTLYLVRRLRLDLDIPAGFEIIHNSQNGKSERNLKLPGLNRIDCMENCSKQISSSSELVKEKTSNKISKTRVMKVITSKKKKTTTSMEKNSNKGRQPPTGSKNTNDKHRRERQRTN
					

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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	22.4	Very low	28.2	Very low	227 Å²	227	126.5 Å²	126.5	100%	1.118	73%	0.734	S	S	*	*				0	124.6	0	-169.7	168	178	0	0	107.3
2	V	20.8	Very low	28.8	Very low	137 Å²	137	122.1 Å²	122.1	83%	0.83	70%	0.697	S	S	*	*			trans	-96.7	116.4	-174.4	-179.4	0	0	0	0	108.7
3	L	23.3	Very low	29.1	Very low	145 Å²	145	120.2 Å²	120.2	76%	0.759	70%	0.696	S	S	*	*			trans	-108.3	100.2	169.4	-74.4	172.5	0	0	0	108.6	T5	L3-T5 PolarHBondContact O-N 3.42Å
4	S	22.3	Very low	29.7	Very low	112 Å²	112	116.8 Å²	116.8	78%	0.783	67%	0.674	S	S	*	*			trans	-82.6	86.9	172	52.5	0	0	0	0	109.7
5	T	32.4	Very low	30.1	Very low	94 Å²	94	111.6 Å²	111.6	58%	0.577	64%	0.642	S	S	*	*			trans	-74.2	126.8	167.4	46.6	0	0	0	0	109.6	L3 W7	L3-T5 PolarHBondContact O-N 3.42Å; T5-W7 PolarHBondContact O-N 2.96Å; T5-W7 PolarHBondContact OG1-NE1 3.12Å
6	G	27.9	Very low	30.5	Very low	73 Å²	73	108.8 Å²	108.8	75%	0.753	62%	0.624	S	S	*	*			trans	-77.9	87.2	-173.5	0	0	0	0	0	112.6	D8	G6-D8 PolarHBondContact O-N 2.9Å
7	W	32	Very low	31.1	Very low	100 Å²	100	105.5 Å²	105.5	38%	0.379	60%	0.602	S	S	.	*			trans	-78.4	60.8	173	-71.9	81	0	0	0	112.2	T5 Y12 E21 K90	T5-W7 PolarHBondContact O-N 2.96Å; T5-W7 PolarHBondContact OG1-NE1 3.12Å; W7-Y12 WeakPolarHBondContact CZ3-OH 3.33Å; W7-E21 WeakPolarHBondContact CH2-OE2 3.32Å; W7-E21 VanDerWaalsContact CZ3-OE2 3.31Å; W7-E21 WeakPolarHBondContact CZ3-OE2 3.37Å; W7-K90 PolarHBondContact O-NZ 3.05Å
8	D	32.4	Very low	31.5	Very low	141 Å²	141	101.1 Å²	101.1	75%	0.754	58%	0.577	S	S	*	*			trans	-69.5	160.8	162.2	-81.8	-46	0	0	0	110.9	G6 V10	G6-D8 PolarHBondContact O-N 2.9Å; D8-V10 PolarHBondContact O-N 2.88Å
9	L	28.8	Very low	32	Very low	153 Å²	153	99.1 Å²	99.1	80%	0.801	56%	0.562	S	S	*	*			trans	-80.7	79	-156.7	-71.2	160.1	0	0	0	113.9	P11	L9-P11 WeakPolarHBondContact O-CD 3.3Å
10	V	32.7	Very low	32.6	Very low	94 Å²	94	100 Å²	100	57%	0.57	56%	0.556	S	S	*	*			trans	-75.4	120.7	160.9	-176.6	0	0	0	0	109.3	D8 Y12	D8-V10 PolarHBondContact O-N 2.88Å; V10-Y12 WeakPolarHBondContact O-CD2 3.47Å; V10-Y12 WeakPolarHBondContact O-CE2 3.36Å; V10-Y12 PolarHBondContact O-N 3.2Å
11	P	35.8	Very low	33	Very low	116 Å²	116	97.9 Å²	97.9	75%	0.753	54%	0.542	S	S	*	.			trans	-86	89.5	177.6	33.5	-32.1	0	0	0	110.6	L9 S13	L9-P11 WeakPolarHBondContact O-CD 3.3Å; P11-S13 PolarHBondContact O-N 2.85Å
12	Y	35.2	Very low	34	Very low	73 Å²	73	87.8 Å²	87.8	29%	0.286	49%	0.493	S	S	.	.			trans	-53.3	126	177.8	-52.9	-85.6	0	0	0	112.3	W7 V10 N14 E17 V18 E21	W7-Y12 WeakPolarHBondContact CZ3-OH 3.33Å; V10-Y12 WeakPolarHBondContact O-CD2 3.47Å; V10-Y12 WeakPolarHBondContact O-CE2 3.36Å; V10-Y12 PolarHBondContact O-N 3.2Å; Y12-N14 PolarHBondContact O-N 2.9Å; Y12-E17 WeakPolarHBondContact CA-OE2 3.41Å; Y12-E17 HydrophobicContact CD1-CB 4.11Å; Y12-V18 HydrophobicContact CD1-CG2 4.09Å; Y12-V18 HydrophobicContact CD2-CG2 4.15Å; Y12-V18 HydrophobicContact CG-CG2 3.64Å; Y12-E21 VanDerWaalsContact CE1-OE1 3.25Å; Y12-E21 WeakPolarHBondContact CE1-OE1 3.39Å; Y12-E21 PolarHBondContact OH-OE1 3.29Å; Y12-E21 PolarHBondContact OH-OE2 2.72Å
13	S	32.6	Very low	35.3	Very low	97 Å²	97	84.2 Å²	84.2	68%	0.678	47%	0.467	S	S	*	.			trans	-72	-29.9	-172.5	-27.1	0	0	0	0	112.5	P11 E17	P11-S13 PolarHBondContact O-N 2.85Å; S13-E17 WeakPolarHBondContact CB-OE1 3.32Å; S13-E17 PolarHBondContact N-OE2 3.27Å; S13-E17 PolarHBondContact OG-OE1 2.74Å; S13-E17 PolarHBondContact OG-OE2 3Å
14	N	37.4	Very low	36.5	Very low	73 Å²	73	78.8 Å²	78.8	39%	0.39	44%	0.438	S	S	.	.	S	Bend	trans	-160.5	173	-174.5	61.4	71.5	0	0	0	112	Y12 L16 E17	Y12-N14 PolarHBondContact O-N 2.9Å; N14-L16 VanDerWaalsContact C-N 3.3Å; N14-L16 PolarHBondContact O-N 3.12Å; N14-L16 WeakPolarHBondContact OD1-CA 3.15Å; N14-L16 VanDerWaalsContact OD1-CB 3.26Å; N14-L16 WeakPolarHBondContact OD1-CB 3.19Å; N14-L16 PolarHBondContact OD1-N 2.86Å; N14-E17 PolarHBondContact ND2-OE1 3.45Å; N14-E17 PolarHBondContact OD1-N 3.08Å
15	L	36.2	Very low	37.5	Very low	39 Å²	39	78.5 Å²	78.5	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-52.8	-41.3	175.6	171.5	71.9	0	0	0	113.9	E17 V18 Q19 S78	L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.1Å; L15-V18 CarbonylContact O-C 3.58Å; L15-V18 WeakPolarHBondContact O-CB 3.15Å; L15-V18 PolarHBondContact O-N 3.39Å; L15-V18 VanDerWaalsContact O-N 3.12Å; L15-Q19 HydrophobicContact CD1-CG 3.75Å; L15-Q19 HydrophobicContact CG-CG 3.92Å; L15-Q19 PolarHBondContact O-N 3.46Å; L15-S78 VanDerWaalsContact CD1-OG 3.3Å; L15-S78 WeakPolarHBondContact CD1-OG 3.43Å
16	L	36.2	Very low	38.1	Very low	66 Å²	66	74.1 Å²	74.1	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-67.6	-34.7	-167.7	-61.9	164.3	0	0	0	111.1	N14 Q19 R20	N14-L16 VanDerWaalsContact C-N 3.3Å; N14-L16 PolarHBondContact O-N 3.12Å; N14-L16 WeakPolarHBondContact OD1-CA 3.15Å; N14-L16 VanDerWaalsContact OD1-CB 3.26Å; N14-L16 WeakPolarHBondContact OD1-CB 3.19Å; N14-L16 PolarHBondContact OD1-N 2.86Å; L16-Q19 PolarHBondContact O-N 2.79Å; L16-R20 WeakPolarHBondContact O-CB 3.37Å; L16-R20 PolarHBondContact O-N 2.93Å
17	E	39.7	Very low	39.2	Very low	53 Å²	53	72 Å²	72	25%	0.248	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-45.4	172.1	-66.4	165.3	-157.5	0	0	111.3	Y12 S13 N14 L15 Q19 R20 E21	Y12-E17 WeakPolarHBondContact CA-OE2 3.41Å; Y12-E17 HydrophobicContact CD1-CB 4.11Å; S13-E17 WeakPolarHBondContact CB-OE1 3.32Å; S13-E17 PolarHBondContact N-OE2 3.27Å; S13-E17 PolarHBondContact OG-OE1 2.74Å; S13-E17 PolarHBondContact OG-OE2 3Å; N14-E17 PolarHBondContact ND2-OE1 3.45Å; N14-E17 PolarHBondContact OD1-N 3.08Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.1Å; E17-Q19 VanDerWaalsContact C-N 3.35Å; E17-Q19 PolarHBondContact O-N 3.26Å; E17-R20 PolarHBondContact O-N 3.05Å; E17-E21 WeakPolarHBondContact O-CB 3.21Å; E17-E21 PolarHBondContact O-N 2.65Å
18	V	38.6	Very low	40	Very low	26 Å²	26	70.1 Å²	70.1	16%	0.158	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-37.8	178.6	178	0	0	0	0	111.8	Y12 L15 V22 M93	Y12-V18 HydrophobicContact CD1-CG2 4.09Å; Y12-V18 HydrophobicContact CD2-CG2 4.15Å; Y12-V18 HydrophobicContact CG-CG2 3.64Å; L15-V18 CarbonylContact O-C 3.58Å; L15-V18 WeakPolarHBondContact O-CB 3.15Å; L15-V18 PolarHBondContact O-N 3.39Å; L15-V18 VanDerWaalsContact O-N 3.12Å; V18-V22 WeakPolarHBondContact O-CB 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 2.86Å; V18-M93 HydrophobicContact CG1-CE 3.25Å; V18-M93 HydrophobicContact CG1-CG 4.3Å; V18-M93 HydrophobicContact CG1-SD 3.31Å; V18-M93 WeakPolarHBondContact CG1-SD 3.38Å
19	Q	41.4	Very low	40.5	Very low	64 Å²	64	66.4 Å²	66.4	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-46.5	172.5	-75.5	179	-28.4	0	0	111.4	L15 L16 E17 E21 V22 F23	L15-Q19 HydrophobicContact CD1-CG 3.75Å; L15-Q19 HydrophobicContact CG-CG 3.92Å; L15-Q19 PolarHBondContact O-N 3.46Å; L16-Q19 PolarHBondContact O-N 2.79Å; E17-Q19 VanDerWaalsContact C-N 3.35Å; E17-Q19 PolarHBondContact O-N 3.26Å; Q19-E21 PolarHBondContact O-N 3.24Å; Q19-V22 PolarHBondContact O-N 3.4Å; Q19-F23 VanDerWaalsContact O-CD2 3.25Å; Q19-F23 WeakPolarHBondContact O-CD2 3.46Å; Q19-F23 PolarHBondContact O-N 3Å
20	R	43.6	Very low	41.3	Very low	117 Å²	117	61.5 Å²	61.5	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-57.8	-49.7	-179.5	-161.3	-160.9	91	-129.5	-10.8	110.9	L16 E17 V22 F23 E24	L16-R20 WeakPolarHBondContact O-CB 3.37Å; L16-R20 PolarHBondContact O-N 2.93Å; E17-R20 PolarHBondContact O-N 3.05Å; R20-V22 PolarHBondContact O-N 2.7Å; R20-F23 PolarHBondContact O-N 3Å; R20-E24 IonicContact CZ-OE1 2.65Å; R20-E24 IonicContact CZ-OE2 3.74Å; R20-E24 VanDerWaalsContact NE-CD 3.34Å; R20-E24 IonicContact NE-OE1 3.65Å; R20-E24 PolarHBondContact NE-OE1 3Å; R20-E24 IonicContact NE-OE2 2.68Å; R20-E24 PolarHBondContact NE-OE2 3.24Å; R20-E24 IonicContact NH2-OE1 2.89Å; R20-E24 PolarHBondContact NH2-OE1 3.49Å; R20-E24 IonicContact NH2-OE2 2.72Å; R20-E24 PolarHBondContact NH2-OE2 2.86Å; R20-E24 WeakPolarHBondContact O-CB 3.44Å; R20-E24 VanDerWaalsContact O-CG 3.26Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.89Å
21	E	42.3	Very low	42.1	Very low	55 Å²	55	59.8 Å²	59.8	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-38.1	179.6	-172.1	-168.6	-110.9	0	0	112.3	W7 Y12 E17 Q19 E24 Y25	W7-E21 WeakPolarHBondContact CH2-OE2 3.32Å; W7-E21 VanDerWaalsContact CZ3-OE2 3.31Å; W7-E21 WeakPolarHBondContact CZ3-OE2 3.37Å; Y12-E21 VanDerWaalsContact CE1-OE1 3.25Å; Y12-E21 WeakPolarHBondContact CE1-OE1 3.39Å; Y12-E21 PolarHBondContact OH-OE1 3.29Å; Y12-E21 PolarHBondContact OH-OE2 2.72Å; E17-E21 WeakPolarHBondContact O-CB 3.21Å; E17-E21 PolarHBondContact O-N 2.65Å; Q19-E21 PolarHBondContact O-N 3.24Å; E21-E24 PolarHBondContact O-N 3.4Å; E21-Y25 WeakPolarHBondContact O-CB 3.28Å; E21-Y25 PolarHBondContact O-N 2.73Å
22	V	42.6	Very low	42.7	Very low	15 Å²	15	60.8 Å²	60.8	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-46.8	171.4	160.7	0	0	0	0	111.3	V18 Q19 R20 Y25 F26 M93 Q97	V18-V22 WeakPolarHBondContact O-CB 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 2.86Å; Q19-V22 PolarHBondContact O-N 3.4Å; R20-V22 PolarHBondContact O-N 2.7Å; V22-Y25 PolarHBondContact O-N 2.85Å; V22-F26 HydrophobicContact CG1-CD2 3.77Å; V22-F26 HydrophobicContact CG1-CE2 3.92Å; V22-F26 WeakPolarHBondContact O-CD2 3.35Å; V22-F26 PolarHBondContact O-N 2.95Å; V22-M93 HydrophobicContact CG2-CE 3.34Å; V22-Q97 HydrophobicContact CG2-CG 4.44Å
23	F	47.2	Very low	43	Very low	63 Å²	63	60.4 Å²	60.4	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-39.9	177.5	-84.9	-68.2	0	0	0	112	Q19 R20 F26 T27 S437	Q19-F23 VanDerWaalsContact O-CD2 3.25Å; Q19-F23 WeakPolarHBondContact O-CD2 3.46Å; Q19-F23 PolarHBondContact O-N 3Å; R20-F23 PolarHBondContact O-N 3Å; F23-F26 CarbonylContact O-C 3.58Å; F23-F26 PolarHBondContact O-N 2.78Å; F23-T27 WeakPolarHBondContact O-CB 3.33Å; F23-T27 PolarHBondContact O-N 2.82Å; F23-T27 PolarHBondContact O-OG1 3.09Å; F23-S437 WeakPolarHBondContact CB-OG 3.21Å; F23-S437 VanDerWaalsContact CD2-CB 3.47Å; F23-S437 WeakPolarHBondContact CD2-OG 3.46Å; F23-S437 WeakPolarHBondContact CG-OG 3.23Å
24	E	48.6	Very low	43.3	Very low	31 Å²	31	62.9 Å²	62.9	15%	0.145	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-49.5	174.2	-75	167.5	173.9	0	0	110.8	R20 E21 F26 T27 D28 H434	R20-E24 IonicContact CZ-OE1 2.65Å; R20-E24 IonicContact CZ-OE2 3.74Å; R20-E24 VanDerWaalsContact NE-CD 3.34Å; R20-E24 IonicContact NE-OE1 3.65Å; R20-E24 PolarHBondContact NE-OE1 3Å; R20-E24 IonicContact NE-OE2 2.68Å; R20-E24 PolarHBondContact NE-OE2 3.24Å; R20-E24 IonicContact NH2-OE1 2.89Å; R20-E24 PolarHBondContact NH2-OE1 3.49Å; R20-E24 IonicContact NH2-OE2 2.72Å; R20-E24 PolarHBondContact NH2-OE2 2.86Å; R20-E24 WeakPolarHBondContact O-CB 3.44Å; R20-E24 VanDerWaalsContact O-CG 3.26Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.89Å; E21-E24 PolarHBondContact O-N 3.4Å; E24-F26 VanDerWaalsContact C-N 3.3Å; E24-F26 PolarHBondContact O-N 3.43Å; E24-T27 WeakPolarHBondContact O-CB 3.41Å; E24-T27 PolarHBondContact O-N 3.36Å; E24-T27 VanDerWaalsContact O-N 3.14Å; E24-D28 PolarHBondContact O-N 3.43Å; E24-H434 WeakPolarHBondContact CG-ND1 3.12Å; E24-H434 IonicContact OE1-ND1 3.31Å
25	Y	43.9	Very low	43.2	Very low	105 Å²	105	63.4 Å²	63.4	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-37.4	175.2	176.2	-99.4	0	0	0	113.1	E21 V22 L29	E21-Y25 WeakPolarHBondContact O-CB 3.28Å; E21-Y25 PolarHBondContact O-N 2.73Å; V22-Y25 PolarHBondContact O-N 2.85Å; Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.47Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.47Å; Y25-L29 HydrophobicContact CE1-CG 4.45Å; Y25-L29 WeakPolarHBondContact O-CG 3.44Å; Y25-L29 PolarHBondContact O-N 3Å
26	F	46	Very low	43.2	Very low	2 Å²	2	66.7 Å²	66.7	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-79.7	-24.5	175.8	-76.8	-65.3	0	0	0	113.9	V22 F23 E24 L29 R30 Q97 H100 S101 L104	V22-F26 HydrophobicContact CG1-CD2 3.77Å; V22-F26 HydrophobicContact CG1-CE2 3.92Å; V22-F26 WeakPolarHBondContact O-CD2 3.35Å; V22-F26 PolarHBondContact O-N 2.95Å; F23-F26 CarbonylContact O-C 3.58Å; F23-F26 PolarHBondContact O-N 2.78Å; E24-F26 VanDerWaalsContact C-N 3.3Å; E24-F26 PolarHBondContact O-N 3.43Å; F26-L29 HydrophobicContact CD1-CD1 3.69Å; F26-L29 HydrophobicContact CE1-CD1 3.8Å; F26-R30 WeakPolarHBondContact O-CB 3.47Å; F26-R30 WeakPolarHBondContact O-CD 3.43Å; F26-R30 WeakPolarHBondContact O-CG 3.21Å; F26-R30 PolarHBondContact O-N 3.19Å; F26-Q97 HydrophobicContact CE2-CG 4.46Å; F26-Q97 HydrophobicContact CZ-CB 4.44Å; F26-H100 AromaticContact CD1-CE1 3.94Å; F26-H100 AromaticContact CD1-ND1 3.44Å; F26-H100 WeakPolarHBondContact CD1-ND1 3.29Å; F26-H100 AromaticContact CD2-CE1 3.56Å; F26-H100 AromaticContact CD2-ND1 3.03Å; F26-H100 WeakPolarHBondContact CD2-ND1 3.22Å; F26-H100 AromaticContact CE1-ND1 3.5Å; F26-H100 HydrophobicContact CE2-CB 3.9Å; F26-H100 AromaticContact CE2-CG 3.79Å; F26-H100 AromaticContact CE2-ND1 3.11Å; F26-H100 WeakPolarHBondContact CE2-ND1 3.3Å; F26-H100 AromaticContact CG-CE1 3.51Å; F26-H100 AromaticContact CG-ND1 3.23Å; F26-H100 WeakPolarHBondContact CG-ND1 3.43Å; F26-H100 HydrophobicContact CZ-CB 3.93Å; F26-H100 AromaticContact CZ-ND1 3.36Å; F26-H100 WeakPolarHBondContact CZ-ND1 3.47Å; F26-S101 WeakPolarHBondContact CE1-OG 3.49Å; F26-L104 HydrophobicContact CD1-CD2 4.36Å
27	T	49.3	Very low	43	Very low	28 Å²	28	71.7 Å²	71.7	17%	0.172	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-45.8	166.8	-72.3	0	0	0	0	110.3	F23 E24 L29 R30 S31 S435	F23-T27 WeakPolarHBondContact O-CB 3.33Å; F23-T27 PolarHBondContact O-N 2.82Å; F23-T27 PolarHBondContact O-OG1 3.09Å; E24-T27 WeakPolarHBondContact O-CB 3.41Å; E24-T27 PolarHBondContact O-N 3.36Å; E24-T27 VanDerWaalsContact O-N 3.14Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.7Å; T27-R30 CarbonylContact O-C 3.5Å; T27-R30 WeakPolarHBondContact O-CB 3.48Å; T27-R30 PolarHBondContact O-N 2.85Å; T27-R30 VanDerWaalsContact O-N 3.14Å; T27-S31 PolarHBondContact O-N 2.73Å; T27-S435 WeakPolarHBondContact CG2-OG 3.43Å; T27-S435 PolarHBondContact OG1-OG 2.75Å
28	D	50	Low	42.8	Very low	61 Å²	61	72.8 Å²	72.8	33%	0.326	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-46.3	175.6	-76	-13.2	0	0	0	110.9	E24 R30 S31 I32	E24-D28 PolarHBondContact O-N 3.43Å; D28-R30 PolarHBondContact O-N 3.37Å; D28-S31 WeakPolarHBondContact O-CB 3.31Å; D28-S31 PolarHBondContact O-N 3.43Å; D28-S31 VanDerWaalsContact O-N 3.14Å; D28-S31 PolarHBondContact O-OG 3.36Å; D28-I32 WeakPolarHBondContact O-CG1 3.44Å; D28-I32 PolarHBondContact O-N 2.89Å
29	L	42.5	Very low	42.3	Very low	63 Å²	63	78.5 Å²	78.5	33%	0.33	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-38.4	174.1	-73.2	171.6	0	0	0	113.4	Y25 F26 T27 S31 I32 A33	Y25-L29 HydrophobicContact CD1-CD1 4.04Å; Y25-L29 HydrophobicContact CE1-CD1 3.47Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.47Å; Y25-L29 HydrophobicContact CE1-CG 4.45Å; Y25-L29 WeakPolarHBondContact O-CG 3.44Å; Y25-L29 PolarHBondContact O-N 3Å; F26-L29 HydrophobicContact CD1-CD1 3.69Å; F26-L29 HydrophobicContact CE1-CD1 3.8Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.7Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-I32 PolarHBondContact O-N 2.96Å; L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.65Å; L29-A33 VanDerWaalsContact O-N 3.08Å
30	R	45.9	Very low	41.9	Very low	51 Å²	51	84.4 Å²	84.4	19%	0.192	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-36.7	173	-75.1	165.2	-177.4	-148.1	-6.9	111.6	F26 T27 D28 A33 K34 L104 L734 D735	F26-R30 WeakPolarHBondContact O-CB 3.47Å; F26-R30 WeakPolarHBondContact O-CD 3.43Å; F26-R30 WeakPolarHBondContact O-CG 3.21Å; F26-R30 PolarHBondContact O-N 3.19Å; T27-R30 CarbonylContact O-C 3.5Å; T27-R30 WeakPolarHBondContact O-CB 3.48Å; T27-R30 PolarHBondContact O-N 2.85Å; T27-R30 VanDerWaalsContact O-N 3.14Å; D28-R30 PolarHBondContact O-N 3.37Å; R30-A33 PolarHBondContact O-N 2.82Å; R30-K34 PolarHBondContact O-N 2.9Å; R30-L104 HydrophobicContact CG-CD2 4.43Å; R30-L734 VanDerWaalsContact CZ-O 3.26Å; R30-L734 VanDerWaalsContact NH1-C 3.32Å; R30-L734 PolarHBondContact NH1-O 3.14Å; R30-L734 PolarHBondContact NH2-O 2.9Å; R30-D735 IonicContact CZ-OD1 3.48Å; R30-D735 IonicContact NH1-OD1 3.34Å; R30-D735 PolarHBondContact NH1-OD1 2.61Å
31	S	48.2	Very low	41.3	Very low	58 Å²	58	84.3 Å²	84.3	41%	0.406	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-40.5	178	84.7	0	0	0	0	112.1	T27 D28 L29 A33 K34	T27-S31 PolarHBondContact O-N 2.73Å; D28-S31 WeakPolarHBondContact O-CB 3.31Å; D28-S31 PolarHBondContact O-N 3.43Å; D28-S31 VanDerWaalsContact O-N 3.14Å; D28-S31 PolarHBondContact O-OG 3.36Å; L29-S31 VanDerWaalsContact C-N 3.33Å; S31-A33 VanDerWaalsContact C-N 3.29Å; S31-A33 PolarHBondContact O-N 3.13Å; S31-K34 WeakPolarHBondContact O-CB 3.37Å; S31-K34 WeakPolarHBondContact O-CG 3.45Å; S31-K34 PolarHBondContact O-N 2.95Å
32	I	49.2	Very low	40.8	Very low	137 Å²	137	87.4 Å²	87.4	70%	0.703	47%	0.474	S	S	*	.	H	α-helix	trans	-68.4	-30.7	175.4	-64.6	162.5	0	0	0	111	D28 L29 K34	D28-I32 WeakPolarHBondContact O-CG1 3.44Å; D28-I32 PolarHBondContact O-N 2.89Å; L29-I32 PolarHBondContact O-N 2.96Å; I32-K34 VanDerWaalsContact C-N 3.32Å; I32-K34 PolarHBondContact O-N 3.26Å
33	A	41.9	Very low	40.3	Very low	64 Å²	64	93.6 Å²	93.6	53%	0.529	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.5	178.4	0	0	0	0	0	114.7	L29 R30 S31 P35	L29-A33 WeakPolarHBondContact O-CB 3.25Å; L29-A33 PolarHBondContact O-N 2.65Å; L29-A33 VanDerWaalsContact O-N 3.08Å; R30-A33 PolarHBondContact O-N 2.82Å; S31-A33 VanDerWaalsContact C-N 3.29Å; S31-A33 PolarHBondContact O-N 3.13Å; A33-P35 WeakPolarHBondContact O-CD 3.48Å
34	K	37.7	Very low	39.5	Very low	150 Å²	150	97 Å²	97	65%	0.652	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-56.7	121.8	176.6	-83	-176.6	174	-175.9	0	110.4	R30 S31 I32	R30-K34 PolarHBondContact O-N 2.9Å; S31-K34 WeakPolarHBondContact O-CB 3.37Å; S31-K34 WeakPolarHBondContact O-CG 3.45Å; S31-K34 PolarHBondContact O-N 2.95Å; I32-K34 VanDerWaalsContact C-N 3.32Å; I32-K34 PolarHBondContact O-N 3.26Å
35	P	36.8	Very low	38.6	Very low	84 Å²	84	101.2 Å²	101.2	55%	0.545	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-67.5	136.7	174.9	28.3	-33.3	0	0	0	109.8	A33 H37	A33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-H37 PolarHBondContact O-N 3.5Å
36	S	35.7	Very low	38.1	Very low	108 Å²	108	103.7 Å²	103.7	76%	0.755	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-51.9	134.1	164.9	49.1	0	0	0	0	109.8	P38	S36-P38 WeakPolarHBondContact O-CD 3.46Å; S36-P38 VanDerWaalsContact O-N 3.12Å
37	H	32.7	Very low	37.3	Very low	170 Å²	170	107.9 Å²	107.9	79%	0.787	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-51.3	117.1	178.2	-78.9	-99.7	0	0	0	110.6	P35	P35-H37 PolarHBondContact O-N 3.5Å
38	P	34.4	Very low	36.5	Very low	76 Å²	76	114.6 Å²	114.6	49%	0.494	64%	0.644	S	S	.	*			trans	-92.9	99.3	171.6	34.3	-25.4	0	0	0	107.6	S36 F40	S36-P38 WeakPolarHBondContact O-CD 3.46Å; S36-P38 VanDerWaalsContact O-N 3.12Å; P38-F40 HydrophobicContact CB-CD2 3.86Å; P38-F40 HydrophobicContact CB-CE2 4Å; P38-F40 PolarHBondContact O-N 3.37Å
39	D	29.2	Very low	35.9	Very low	147 Å²	147	117.7 Å²	117.7	79%	0.786	66%	0.659	S	S	*	*			trans	-71	71.7	176.6	-68.2	-41.6	0	0	0	110.7	V41	D39-V41 VanDerWaalsContact C-N 3.32Å; D39-V41 PolarHBondContact O-N 2.79Å
40	F	32.8	Very low	35.9	Very low	188 Å²	188	121.8 Å²	121.8	83%	0.825	68%	0.682	S	S	*	*			trans	-74.2	87.2	174.8	-90.1	-73.4	0	0	0	110.7	P38 S42	P38-F40 HydrophobicContact CB-CD2 3.86Å; P38-F40 HydrophobicContact CB-CE2 4Å; P38-F40 PolarHBondContact O-N 3.37Å; F40-S42 PolarHBondContact O-N 2.79Å
41	V	31.4	Very low	36.1	Very low	114 Å²	114	125 Å²	125	69%	0.691	70%	0.702	S	S	*	*			trans	-49.7	131.3	149.2	179.6	0	0	0	0	108.1	D39 D43	D39-V41 VanDerWaalsContact C-N 3.32Å; D39-V41 PolarHBondContact O-N 2.79Å; V41-D43 PolarHBondContact O-N 2.67Å
42	S	30.1	Very low	36.6	Very low	120 Å²	120	126.6 Å²	126.6	84%	0.839	71%	0.705	S	S	*	*			trans	-77.6	89.8	177.1	55.4	0	0	0	0	110	F40	F40-S42 PolarHBondContact O-N 2.79Å
43	D	32.5	Very low	37.3	Very low	145 Å²	145	120.9 Å²	120.9	78%	0.775	68%	0.677	S	S	*	*			trans	-115.9	149.6	174.1	-139.8	-28.5	0	0	0	111.4	V41 C45	V41-D43 PolarHBondContact O-N 2.67Å; D43-C45 PolarHBondContact O-N 3.41Å
44	V	29.9	Very low	38.3	Very low	136 Å²	136	117.9 Å²	117.9	82%	0.824	65%	0.652	S	S	*	*			trans	-96.2	99.9	-154.6	-178.4	0	0	0	0	112.7
45	C	30.2	Very low	39.5	Very low	119 Å²	119	111.7 Å²	111.7	80%	0.804	63%	0.627	S	S	*	*			trans	-158	114.8	155.3	-131	0	0	0	0	111.7	D43	D43-C45 PolarHBondContact O-N 3.41Å
46	M	33.9	Very low	40.7	Very low	156 Å²	156	113.3 Å²	113.3	77%	0.768	63%	0.626	S	S	*	*			trans	-90.2	123.3	166.8	-79.8	-69.1	165.4	0	0	109
47	P	29.9	Very low	42.1	Very low	91 Å²	91	109.2 Å²	109.2	59%	0.591	60%	0.596	S	S	*	*			trans	-81.1	145	172.4	32.8	-33	0	0	0	111	I49	P47-I49 HydrophobicContact CG-CD1 4.38Å; P47-I49 PolarHBondContact O-N 2.8Å
48	D	31.4	Very low	43.7	Very low	168 Å²	168	107.1 Å²	107.1	90%	0.898	58%	0.584	S	S	*	*			trans	-66.6	93	175.1	-67.6	-58	0	0	0	111.5
49	I	38	Very low	45	Very low	126 Å²	126	103.9 Å²	103.9	65%	0.646	56%	0.563	S	S	*	*			trans	-130.6	126.3	168.9	-56.6	177.7	0	0	0	106.5	P47 L51	P47-I49 HydrophobicContact CG-CD1 4.38Å; P47-I49 PolarHBondContact O-N 2.8Å; I49-L51 WeakPolarHBondContact O-CD1 3.43Å; I49-L51 WeakPolarHBondContact O-CG 3.12Å; I49-L51 PolarHBondContact O-N 3.42Å
50	D	41.4	Very low	46.7	Very low	150 Å²	150	104.5 Å²	104.5	80%	0.802	56%	0.561	S	S	*	*			trans	-40.6	109.9	-173.6	-67.4	-61.1	0	0	0	112.3	I52	D50-I52 VanDerWaalsContact C-N 3.26Å; D50-I52 PolarHBondContact O-N 3.27Å
51	L	51.7	Low	48.3	Very low	118 Å²	118	98.9 Å²	98.9	62%	0.618	54%	0.535	S	S	*	.			trans	-78	68.3	-159.9	-69.4	91	0	0	0	112.9	I49 C53 N118	I49-L51 WeakPolarHBondContact O-CD1 3.43Å; I49-L51 WeakPolarHBondContact O-CG 3.12Å; I49-L51 PolarHBondContact O-N 3.42Å; L51-C53 PolarHBondContact O-N 2.91Å; L51-N118 WeakPolarHBondContact CB-ND2 3.27Å
52	I	57.8	Low	50	Low	91 Å²	91	98.1 Å²	98.1	47%	0.467	54%	0.535	S	S	.	.			trans	-65.1	110.6	175.3	-60.3	174.6	0	0	0	109.2	D50 F56 I57 N118	D50-I52 VanDerWaalsContact C-N 3.26Å; D50-I52 PolarHBondContact O-N 3.27Å; I52-F56 HydrophobicContact CG2-CB 4.38Å; I52-I57 HydrophobicContact CG2-CB 3.99Å; I52-N118 PolarHBondContact O-N 3.44Å
53	C	64.2	Low	51.8	Low	17 Å²	17	93 Å²	93	12%	0.115	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-58.9	139.8	168.2	147.4	0	0	0	0	110.3	L51 C55 F56 I57 C120 H122	L51-C53 PolarHBondContact O-N 2.91Å; C53-C55 PolarHBondContact O-N 3.39Å; C53-C55 PolarHBondContact SG-N 2.99Å; C53-C55 VanDerWaalsContact SG-N 3.36Å; C53-F56 HydrophobicContact CB-CD2 4Å; C53-F56 PolarHBondContact O-N 3Å; C53-I57 PolarHBondContact O-N 3.41Å; C53-C120 HydrophobicContact CB-CB 3.7Å; C53-C120 WeakPolarHBondContact CB-SG 3.35Å; C53-C120 WeakPolarHBondContact SG-CB 3.39Å; C53-C120 CovalentContact SG-SG 2.04Å; C53-C120 PolarHBondContact SG-SG 3.26Å; C53-H122 PolarHBondContact SG-ND1 3.49Å
54	T	62.6	Low	53.5	Low	1 Å²	1	89.6 Å²	89.6	1%	0.006	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-4.9	180	40	0	0	0	0	116	L114 A117 N118 C120 R729	T54-L114 HydrophobicContact CG2-CD2 4.48Å; T54-A117 HydrophobicContact CG2-CB 3.46Å; T54-A117 VanDerWaalsContact CG2-CB 3.46Å; T54-A117 WeakPolarHBondContact CG2-O 3.32Å; T54-N118 WeakPolarHBondContact CG2-O 3.26Å; T54-N118 PolarHBondContact N-O 3.42Å; T54-N118 PolarHBondContact OG1-O 2.9Å; T54-C120 PolarHBondContact N-SG 3.38Å; T54-C120 PolarHBondContact OG1-SG 3.11Å; T54-C120 VanDerWaalsContact OG1-SG 3.42Å; T54-R729 VanDerWaalsContact C-NH1 3.33Å; T54-R729 PolarHBondContact O-NH1 3.46Å; T54-R729 WeakPolarHBondContact OG1-CD 3.26Å; T54-R729 PolarHBondContact OG1-NE 3.3Å; T54-R729 PolarHBondContact OG1-NH2 3.4Å
55	C	62.8	Low	55.1	Low	20 Å²	20	85.2 Å²	85.2	14%	0.135	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.3	165.9	-78.3	0	0	0	0	114.7	C53 H122 N123 R729	C53-C55 PolarHBondContact O-N 3.39Å; C53-C55 PolarHBondContact SG-N 2.99Å; C53-C55 VanDerWaalsContact SG-N 3.36Å; C55-H122 HydrophobicContact CB-CB 4.2Å; C55-N123 PolarHBondContact SG-ND2 3.03Å; C55-N123 VanDerWaalsContact SG-ND2 3.41Å; C55-R729 PolarHBondContact SG-NH2 3.36Å
56	F	62.8	Low	57	Low	118 Å²	118	84.4 Å²	84.4	52%	0.518	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-12	-173.2	-59.3	-76.9	0	0	0	113.2	I52 C53 K58 H122	I52-F56 HydrophobicContact CG2-CB 4.38Å; C53-F56 HydrophobicContact CB-CD2 4Å; C53-F56 PolarHBondContact O-N 3Å; F56-K58 PolarHBondContact O-N 2.99Å; F56-H122 AromaticContact CE2-ND1 3.91Å
57	I	64.4	Low	58.6	Low	23 Å²	23	79.1 Å²	79.1	12%	0.118	43%	0.427	C	S	.	.			trans	-54.3	134.8	171.9	-164.2	178.8	0	0	0	111.5	I52 C53 P59 Q113 L114 A117	I52-I57 HydrophobicContact CG2-CB 3.99Å; C53-I57 PolarHBondContact O-N 3.41Å; I57-P59 HydrophobicContact CD1-CG 4.28Å; I57-P59 HydrophobicContact CG1-CG 4.24Å; I57-P59 HydrophobicContact CG2-CG 4.2Å; I57-Q113 HydrophobicContact CD1-CB 3.89Å; I57-Q113 WeakPolarHBondContact CD1-O 3.45Å; I57-L114 HydrophobicContact CG2-CD2 3.96Å; I57-A117 HydrophobicContact CD1-CB 3.81Å
58	K	66	Low	60.2	Low	126 Å²	126	75.1 Å²	75.1	55%	0.548	40%	0.4	S	S	.	.			trans	-107.9	94.4	161.5	-75.3	-177.2	173.3	-178.6	0	107.3	F56 E752	F56-K58 PolarHBondContact O-N 2.99Å; K58-E752 IonicContact NZ-OE2 3.25Å; K58-E752 PolarHBondContact NZ-OE2 3.4Å
59	P	62.6	Low	62.1	Low	8 Å²	8	72.4 Å²	72.4	5%	0.052	38%	0.381	C	S	.	.			trans	-66.9	137.1	-179.4	-16.9	31.2	0	0	0	110.7	I57 Y61 V110 Q113 W574	I57-P59 HydrophobicContact CD1-CG 4.28Å; I57-P59 HydrophobicContact CG1-CG 4.24Å; I57-P59 HydrophobicContact CG2-CG 4.2Å; P59-Y61 VanDerWaalsContact O-CD1 3.22Å; P59-Y61 WeakPolarHBondContact O-CD1 3.18Å; P59-Y61 WeakPolarHBondContact O-CE1 3.31Å; P59-V110 HydrophobicContact CB-CB 4.42Å; P59-V110 HydrophobicContact CB-CG1 4.48Å; P59-V110 HydrophobicContact CB-CG2 4.03Å; P59-V110 HydrophobicContact CG-CG1 4.34Å; P59-Q113 HydrophobicContact CB-CB 4.14Å; P59-W574 VanDerWaalsContact CD-CZ2 3.43Å; P59-W574 HydrophobicContact CG-CE3 4.39Å; P59-W574 HydrophobicContact CG-CH2 3.77Å; P59-W574 HydrophobicContact CG-CZ2 3.84Å; P59-W574 HydrophobicContact CG-CZ3 4.03Å
60	E	64.6	Low	63.6	Low	160 Å²	160	69.5 Å²	69.5	75%	0.748	37%	0.366	S	S	*	.			trans	-78.1	131.1	174.4	-63.4	-169.9	169.2	0	0	110.9	S109 Q113	E60-S109 PolarHBondContact O-OG 2.84Å; E60-Q113 PolarHBondContact O-NE2 2.75Å
61	Y	67.1	Low	64.9	Low	70 Å²	70	63.8 Å²	63.8	28%	0.275	33%	0.334	S	S	.	.			trans	-143.7	136	176.1	49.2	-102.1	0	0	0	112.2	P59 I63 V110 W574 F740 N754 L755	P59-Y61 VanDerWaalsContact O-CD1 3.22Å; P59-Y61 WeakPolarHBondContact O-CD1 3.18Å; P59-Y61 WeakPolarHBondContact O-CE1 3.31Å; Y61-I63 VanDerWaalsContact C-N 3.26Å; Y61-I63 HydrophobicContact CD2-CG2 3.57Å; Y61-I63 HydrophobicContact CE2-CG2 4.28Å; Y61-I63 HydrophobicContact CG-CG2 4.31Å; Y61-I63 PolarHBondContact O-N 3.28Å; Y61-I63 VanDerWaalsContact O-N 3.07Å; Y61-V110 HydrophobicContact CD1-CG2 3.83Å; Y61-W574 HydrophobicContact CE1-CZ3 4.48Å; Y61-F740 HydrophobicContact CE2-CE1 4.4Å; Y61-N754 PolarHBondContact OH-O 2.65Å; Y61-L755 HydrophobicContact CE1-CD1 4.44Å
62	S	66	Low	65.5	Low	97 Å²	97	61.2 Å²	61.2	68%	0.678	32%	0.318	S	S	*	.	S	Bend	trans	-86.6	53.3	-178.3	63.4	0	0	0	0	112.6
63	I	67.3	Low	66	Low	13 Å²	13	61 Å²	61	7%	0.067	32%	0.315	C	S	.	.			trans	-141	136.7	176.1	-172.3	169	0	0	0	111.3	Y61 D67 V68 L102 I103 A106 F740	Y61-I63 VanDerWaalsContact C-N 3.26Å; Y61-I63 HydrophobicContact CD2-CG2 3.57Å; Y61-I63 HydrophobicContact CE2-CG2 4.28Å; Y61-I63 HydrophobicContact CG-CG2 4.31Å; Y61-I63 PolarHBondContact O-N 3.28Å; Y61-I63 VanDerWaalsContact O-N 3.07Å; I63-D67 HydrophobicContact CD1-CB 4.13Å; I63-D67 HydrophobicContact CG1-CB 3.7Å; I63-V68 HydrophobicContact CD1-CG2 3.67Å; I63-V68 HydrophobicContact CG1-CG2 4.1Å; I63-L102 HydrophobicContact CD1-CB 4.48Å; I63-I103 HydrophobicContact CD1-CB 4.27Å; I63-I103 HydrophobicContact CD1-CD1 4.41Å; I63-I103 HydrophobicContact CD1-CG1 3.32Å; I63-A106 HydrophobicContact CB-CB 4.27Å; I63-A106 HydrophobicContact CG2-CB 3.49Å; I63-A106 VanDerWaalsContact CG2-CB 3.49Å; I63-F740 HydrophobicContact CG2-CE1 3.99Å; I63-F740 HydrophobicContact CG2-CZ 4.01Å
64	T	68.5	Low	66.2	Low	73 Å²	73	60.6 Å²	60.6	45%	0.448	31%	0.312	S	S	.	.			trans	-94.5	158.9	-179.9	75.2	0	0	0	0	112.5	T66 D67 V68	T64-T66 PolarHBondContact O-N 2.98Å; T64-T66 WeakPolarHBondContact OG1-CB 3.39Å; T64-T66 PolarHBondContact OG1-N 2.82Å; T64-D67 WeakPolarHBondContact CA-OD2 3.37Å; T64-D67 VanDerWaalsContact CB-OD2 3.3Å; T64-D67 WeakPolarHBondContact CB-OD2 3.37Å; T64-D67 PolarHBondContact N-OD2 2.9Å; T64-D67 PolarHBondContact O-N 2.84Å; T64-D67 VanDerWaalsContact O-N 3.11Å; T64-D67 VanDerWaalsContact OG1-CG 3.26Å; T64-D67 PolarHBondContact OG1-N 2.86Å; T64-D67 PolarHBondContact OG1-OD2 2.77Å; T64-V68 PolarHBondContact O-N 2.92Å
65	A	64.8	Low	66.3	Low	44 Å²	44	63.6 Å²	63.6	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-52.1	-35	167.7	0	0	0	0	0	112.6	K69 I742	A65-K69 WeakPolarHBondContact O-CB 3.48Å; A65-K69 PolarHBondContact O-N 2.77Å; A65-I742 HydrophobicContact CB-CD1 3.87Å; A65-I742 HydrophobicContact CB-CG1 3.91Å; A65-I742 HydrophobicContact CB-CG2 4.35Å
66	T	69.3	Low	66.3	Low	103 Å²	103	69.9 Å²	69.9	63%	0.632	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-40.8	178.2	-50.1	0	0	0	0	112.1	T64 K69 L70	T64-T66 PolarHBondContact O-N 2.98Å; T64-T66 WeakPolarHBondContact OG1-CB 3.39Å; T64-T66 PolarHBondContact OG1-N 2.82Å; T66-K69 PolarHBondContact O-N 2.8Å; T66-L70 WeakPolarHBondContact O-CB 3.35Å; T66-L70 PolarHBondContact O-N 2.89Å
67	D	68.5	Low	66.1	Low	45 Å²	45	67 Å²	67	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-44.1	179.1	-61.4	-58	0	0	0	111.2	I63 T64 L70 F71 L99	I63-D67 HydrophobicContact CD1-CB 4.13Å; I63-D67 HydrophobicContact CG1-CB 3.7Å; T64-D67 WeakPolarHBondContact CA-OD2 3.37Å; T64-D67 VanDerWaalsContact CB-OD2 3.3Å; T64-D67 WeakPolarHBondContact CB-OD2 3.37Å; T64-D67 PolarHBondContact N-OD2 2.9Å; T64-D67 PolarHBondContact O-N 2.84Å; T64-D67 VanDerWaalsContact O-N 3.11Å; T64-D67 VanDerWaalsContact OG1-CG 3.26Å; T64-D67 PolarHBondContact OG1-N 2.86Å; T64-D67 PolarHBondContact OG1-OD2 2.77Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-F71 WeakPolarHBondContact O-CB 3.24Å; D67-F71 PolarHBondContact O-N 2.86Å; D67-L99 HydrophobicContact CB-CD2 3.81Å
68	V	63.6	Low	65.5	Low	6 Å²	6	67.8 Å²	67.8	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-36.3	178.7	-173.1	0	0	0	0	111.5	I63 T64 F71 K72 F740	I63-V68 HydrophobicContact CD1-CG2 3.67Å; I63-V68 HydrophobicContact CG1-CG2 4.1Å; T64-V68 PolarHBondContact O-N 2.92Å; V68-F71 PolarHBondContact O-N 2.86Å; V68-K72 WeakPolarHBondContact O-CB 3.48Å; V68-K72 WeakPolarHBondContact O-CG 3.27Å; V68-K72 PolarHBondContact O-N 3.04Å; V68-F740 HydrophobicContact CB-CB 4.2Å; V68-F740 HydrophobicContact CB-CD2 4.23Å; V68-F740 HydrophobicContact CB-CG 4.35Å; V68-F740 HydrophobicContact CG1-CB 3.82Å; V68-F740 HydrophobicContact CG1-CD2 3.73Å; V68-F740 HydrophobicContact CG1-CG 4.09Å; V68-F740 HydrophobicContact CG2-CB 4.04Å; V68-F740 HydrophobicContact CG2-CD1 4.21Å; V68-F740 HydrophobicContact CG2-CD2 3.5Å; V68-F740 VanDerWaalsContact CG2-CD2 3.5Å; V68-F740 HydrophobicContact CG2-CE2 3.93Å; V68-F740 HydrophobicContact CG2-CG 3.69Å; V68-F740 HydrophobicContact CG2-CZ 4.45Å
69	K	69.4	Low	64.7	Low	112 Å²	112	65 Å²	65	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-48.1	171.8	-179.9	174.4	172.6	178.5	0	111	A65 T66 F71 K72 E73 I742	A65-K69 WeakPolarHBondContact O-CB 3.48Å; A65-K69 PolarHBondContact O-N 2.77Å; T66-K69 PolarHBondContact O-N 2.8Å; K69-F71 VanDerWaalsContact C-N 3.3Å; K69-F71 PolarHBondContact O-N 3.2Å; K69-K72 PolarHBondContact O-N 3.01Å; K69-E73 WeakPolarHBondContact CE-OE1 3.4Å; K69-E73 WeakPolarHBondContact CG-OE1 3.29Å; K69-E73 IonicContact NZ-OE1 3.21Å; K69-E73 WeakPolarHBondContact O-CB 3.5Å; K69-E73 WeakPolarHBondContact O-CG 3.46Å; K69-E73 PolarHBondContact O-N 3.42Å; K69-I742 HydrophobicContact CB-CD1 4.22Å
70	L	71	Confident	64	Low	64 Å²	64	70 Å²	70	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-36.5	177.2	-178.5	61.1	0	0	0	112.1	T66 D67 E73 L74 L99	T66-L70 WeakPolarHBondContact O-CB 3.35Å; T66-L70 PolarHBondContact O-N 2.89Å; D67-L70 PolarHBondContact O-N 2.87Å; L70-E73 PolarHBondContact O-N 2.81Å; L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CG 4.41Å; L70-L74 HydrophobicContact CG-CD1 4.11Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.19Å; L70-L74 PolarHBondContact O-N 3.05Å; L70-L99 HydrophobicContact CB-CD1 4.27Å; L70-L99 HydrophobicContact CD2-CD1 3.91Å; L70-L99 HydrophobicContact CG-CD1 3.79Å
71	F	67.3	Low	63.2	Low	30 Å²	30	65.9 Å²	65.9	13%	0.132	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-48.4	173.3	-177.5	-108.4	0	0	0	112	D67 V68 K69 E73 L74 L75 L96 L99 H100 I103	D67-F71 WeakPolarHBondContact O-CB 3.24Å; D67-F71 PolarHBondContact O-N 2.86Å; V68-F71 PolarHBondContact O-N 2.86Å; K69-F71 VanDerWaalsContact C-N 3.3Å; K69-F71 PolarHBondContact O-N 3.2Å; F71-E73 VanDerWaalsContact C-N 3.28Å; F71-E73 PolarHBondContact O-N 3.2Å; F71-L74 PolarHBondContact O-N 3.4Å; F71-L75 HydrophobicContact CD1-CD1 3.97Å; F71-L75 HydrophobicContact CE1-CD1 3.52Å; F71-L75 HydrophobicContact CE1-CG 4.25Å; F71-L75 HydrophobicContact CE2-CG 4.49Å; F71-L75 HydrophobicContact CZ-CD1 3.85Å; F71-L75 HydrophobicContact CZ-CD2 4.36Å; F71-L75 HydrophobicContact CZ-CG 4.2Å; F71-L75 WeakPolarHBondContact O-CG 3.39Å; F71-L75 PolarHBondContact O-N 3.09Å; F71-L96 HydrophobicContact CD2-CD1 3.6Å; F71-L96 HydrophobicContact CD2-CG 4.49Å; F71-L96 HydrophobicContact CE2-CD1 3.46Å; F71-L96 VanDerWaalsContact CE2-CD1 3.46Å; F71-L96 HydrophobicContact CE2-CG 4.07Å; F71-L96 HydrophobicContact CZ-CD1 4.39Å; F71-L99 HydrophobicContact CB-CB 4.16Å; F71-L99 HydrophobicContact CB-CD1 4.38Å; F71-L99 HydrophobicContact CD2-CB 3.81Å; F71-L99 HydrophobicContact CG-CB 4.38Å; F71-H100 HydrophobicContact CE2-CB 3.83Å; F71-H100 HydrophobicContact CZ-CB 4.27Å; F71-H100 AromaticContact CZ-CD2 3.8Å; F71-I103 HydrophobicContact CB-CD1 3.86Å; F71-I103 HydrophobicContact CD1-CD1 3.26Å; F71-I103 HydrophobicContact CD2-CD1 3.98Å; F71-I103 HydrophobicContact CE1-CD1 3.7Å; F71-I103 HydrophobicContact CE2-CD1 4.37Å; F71-I103 HydrophobicContact CG-CD1 3.42Å; F71-I103 VanDerWaalsContact CG-CD1 3.42Å; F71-I103 HydrophobicContact CZ-CD1 4.25Å
72	K	64.4	Low	62.6	Low	65 Å²	65	65.1 Å²	65.1	28%	0.283	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-37	174.2	-79.2	178.8	166.1	-180	0	112.2	V68 K69 K76 F740	V68-K72 WeakPolarHBondContact O-CB 3.48Å; V68-K72 WeakPolarHBondContact O-CG 3.27Å; V68-K72 PolarHBondContact O-N 3.04Å; K69-K72 PolarHBondContact O-N 3.01Å; K72-K76 WeakPolarHBondContact O-CG 3.2Å; K72-K76 PolarHBondContact O-N 2.95Å; K72-F740 WeakPolarHBondContact CE-O 3.26Å; K72-F740 PolarHBondContact NZ-O 2.93Å
73	E	69.6	Low	62.1	Low	85 Å²	85	68.8 Å²	68.8	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-69.9	-46	175.6	-74.7	170.5	-176.7	0	0	111.9	K69 L70 F71 L75 K76 I77	K69-E73 WeakPolarHBondContact CE-OE1 3.4Å; K69-E73 WeakPolarHBondContact CG-OE1 3.29Å; K69-E73 IonicContact NZ-OE1 3.21Å; K69-E73 WeakPolarHBondContact O-CB 3.5Å; K69-E73 WeakPolarHBondContact O-CG 3.46Å; K69-E73 PolarHBondContact O-N 3.42Å; L70-E73 PolarHBondContact O-N 2.81Å; F71-E73 VanDerWaalsContact C-N 3.28Å; F71-E73 PolarHBondContact O-N 3.2Å; E73-L75 PolarHBondContact O-N 3.15Å; E73-K76 PolarHBondContact O-N 3.43Å; E73-I77 WeakPolarHBondContact O-CB 3.31Å; E73-I77 WeakPolarHBondContact O-CD1 3.38Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.45Å; E73-I77 PolarHBondContact O-N 3.25Å
74	L	67.8	Low	61.8	Low	10 Å²	10	70.6 Å²	70.6	5%	0.052	39%	0.392	C	S	.	.	H	α-helix	trans	-62.9	-38.1	177.4	-74.4	165.6	0	0	0	112.8	L70 F71 I77 S78 E92 K95 L96 L99	L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CG 4.41Å; L70-L74 HydrophobicContact CG-CD1 4.11Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.19Å; L70-L74 PolarHBondContact O-N 3.05Å; F71-L74 PolarHBondContact O-N 3.4Å; L74-I77 PolarHBondContact O-N 3.12Å; L74-S78 WeakPolarHBondContact O-CB 3.31Å; L74-S78 PolarHBondContact O-N 2.9Å; L74-S78 PolarHBondContact O-OG 3.01Å; L74-E92 HydrophobicContact CD2-CB 4.13Å; L74-E92 HydrophobicContact CD2-CG 4.12Å; L74-K95 HydrophobicContact CD1-CB 3.73Å; L74-K95 HydrophobicContact CD1-CD 4.38Å; L74-L96 HydrophobicContact CB-CD1 3.82Å; L74-L99 HydrophobicContact CD1-CD1 3.64Å
75	L	63.8	Low	61.4	Low	64 Å²	64	70.7 Å²	70.7	34%	0.335	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-46.7	173.2	-76	176.1	0	0	0	112	F71 E73 S78 L96	F71-L75 HydrophobicContact CD1-CD1 3.97Å; F71-L75 HydrophobicContact CE1-CD1 3.52Å; F71-L75 HydrophobicContact CE1-CG 4.25Å; F71-L75 HydrophobicContact CE2-CG 4.49Å; F71-L75 HydrophobicContact CZ-CD1 3.85Å; F71-L75 HydrophobicContact CZ-CD2 4.36Å; F71-L75 HydrophobicContact CZ-CG 4.2Å; F71-L75 WeakPolarHBondContact O-CG 3.39Å; F71-L75 PolarHBondContact O-N 3.09Å; E73-L75 PolarHBondContact O-N 3.15Å; L75-S78 PolarHBondContact O-OG 2.8Å; L75-L96 HydrophobicContact CD2-CD1 3.86Å; L75-L96 HydrophobicContact CD2-CD2 4.28Å; L75-L96 HydrophobicContact CG-CD1 3.95Å
76	K	63.6	Low	61.3	Low	151 Å²	151	72.9 Å²	72.9	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-64.9	-40.4	175.9	-70.4	177.8	178.5	-173.2	0	112.6	K72 E73 S78 S79	K72-K76 WeakPolarHBondContact O-CG 3.2Å; K72-K76 PolarHBondContact O-N 2.95Å; E73-K76 PolarHBondContact O-N 3.43Å; K76-S78 VanDerWaalsContact C-N 3.34Å; K76-S79 PolarHBondContact O-N 2.9Å; K76-S79 PolarHBondContact O-OG 2.83Å
77	I	58.8	Low	61.2	Low	59 Å²	59	74.9 Å²	74.9	30%	0.303	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-41.5	-179	-75.7	166.7	0	0	0	110.9	E73 L74 S79 V80 D81	E73-I77 WeakPolarHBondContact O-CB 3.31Å; E73-I77 WeakPolarHBondContact O-CD1 3.38Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.45Å; E73-I77 PolarHBondContact O-N 3.25Å; L74-I77 PolarHBondContact O-N 3.12Å; I77-S79 PolarHBondContact O-N 3.03Å; I77-V80 PolarHBondContact O-N 2.69Å; I77-D81 PolarHBondContact O-N 3.4Å
78	S	51.8	Low	61.2	Low	38 Å²	38	74.4 Å²	74.4	27%	0.266	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-24.7	178.5	67.9	0	0	0	0	113.6	L15 L74 L75 K76	L15-S78 VanDerWaalsContact CD1-OG 3.3Å; L15-S78 WeakPolarHBondContact CD1-OG 3.43Å; L74-S78 WeakPolarHBondContact O-CB 3.31Å; L74-S78 PolarHBondContact O-N 2.9Å; L74-S78 PolarHBondContact O-OG 3.01Å; L75-S78 PolarHBondContact O-OG 2.8Å; K76-S78 VanDerWaalsContact C-N 3.34Å
79	S	48.6	Very low	61.3	Low	68 Å²	68	78.2 Å²	78.2	48%	0.476	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.9	-177	70.7	0	0	0	0	115.4	K76 I77	K76-S79 PolarHBondContact O-N 2.9Å; K76-S79 PolarHBondContact O-OG 2.83Å; I77-S79 PolarHBondContact O-N 3.03Å
80	V	48.6	Very low	61.4	Low	113 Å²	113	77.4 Å²	77.4	69%	0.685	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-40.1	-171.9	-176	0	0	0	0	112.9	I77 G82	I77-V80 PolarHBondContact O-N 2.69Å; V80-G82 PolarHBondContact O-N 2.96Å
81	D	48.4	Very low	61.6	Low	73 Å²	73	82.5 Å²	82.5	39%	0.39	44%	0.438	S	S	.	.			trans	-87.9	72.7	-166.1	-75.4	-32.8	0	0	0	114.6	I77 N83 K84	I77-D81 PolarHBondContact O-N 3.4Å; D81-N83 PolarHBondContact O-N 2.85Å; D81-K84 HydrophobicContact CB-CD 3.74Å; D81-K84 HydrophobicContact CB-CG 3.97Å; D81-K84 PolarHBondContact O-N 3.13Å; D81-K84 WeakPolarHBondContact OD2-CE 3.39Å; D81-K84 IonicContact OD2-NZ 3.69Å; D81-K84 PolarHBondContact OD2-NZ 2.86Å
82	G	53.5	Low	61.9	Low	54 Å²	54	83.5 Å²	83.5	56%	0.557	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-38.1	172.9	0	0	0	0	0	113.7	V80 K84 K89	V80-G82 PolarHBondContact O-N 2.96Å; G82-K84 VanDerWaalsContact C-N 3.31Å; G82-K84 PolarHBondContact O-N 2.82Å; G82-K89 PolarHBondContact O-NZ 3.42Å
83	N	55.7	Low	62.1	Low	175 Å²	175	81.8 Å²	81.8	94%	0.936	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	6.6	-171.4	-68.7	-17.6	0	0	0	115.8	D81	D81-N83 PolarHBondContact O-N 2.85Å
84	K	60.4	Low	62.4	Low	51 Å²	51	81.5 Å²	81.5	22%	0.222	44%	0.437	C	S	.	.			trans	-72.9	142	177.2	-85.1	178.5	-176.2	177.1	0	113.2	D81 G82 S88 K89 E92	D81-K84 HydrophobicContact CB-CD 3.74Å; D81-K84 HydrophobicContact CB-CG 3.97Å; D81-K84 PolarHBondContact O-N 3.13Å; D81-K84 WeakPolarHBondContact OD2-CE 3.39Å; D81-K84 IonicContact OD2-NZ 3.69Å; D81-K84 PolarHBondContact OD2-NZ 2.86Å; G82-K84 VanDerWaalsContact C-N 3.31Å; G82-K84 PolarHBondContact O-N 2.82Å; K84-S88 WeakPolarHBondContact CB-OG 3.24Å; K84-K89 HydrophobicContact CB-CD 4.33Å; K84-K89 HydrophobicContact CB-CG 3.76Å; K84-K89 WeakPolarHBondContact O-CE 3.21Å; K84-E92 WeakPolarHBondContact CD-OE2 3.49Å; K84-E92 IonicContact NZ-OE1 3.61Å; K84-E92 PolarHBondContact NZ-OE1 2.95Å; K84-E92 IonicContact NZ-OE2 2.88Å; K84-E92 PolarHBondContact NZ-OE2 2.8Å
85	S	61.5	Low	62.8	Low	74 Å²	74	85.7 Å²	85.7	52%	0.517	46%	0.455	S	S	.	.			trans	-64.8	152.9	176.1	69.4	0	0	0	0	111.9	H87 S88 K89	S85-H87 PolarHBondContact O-N 3.2Å; S85-S88 PolarHBondContact N-OG 2.78Å; S85-S88 PolarHBondContact O-N 2.86Å; S85-S88 PolarHBondContact O-OG 2.91Å; S85-S88 VanDerWaalsContact O-OG 3.06Å; S85-S88 PolarHBondContact OG-N 3.11Å; S85-S88 PolarHBondContact OG-OG 2.9Å; S85-K89 PolarHBondContact O-N 2.82Å
86	S	62.5	Low	63.3	Low	91 Å²	91	83.2 Å²	83.2	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-53.9	-38.3	179.9	53	0	0	0	0	112.7	K90	S86-K90 WeakPolarHBondContact O-CB 3.23Å; S86-K90 PolarHBondContact O-N 3.06Å
87	H	66.6	Low	63.6	Low	144 Å²	144	77.6 Å²	77.6	67%	0.667	42%	0.418	S	S	*	.	H	α-helix	trans	-69.9	-37.5	177.7	-165.5	-32.6	0	0	0	113	S85 R91	S85-H87 PolarHBondContact O-N 3.2Å; H87-R91 WeakPolarHBondContact O-CB 3.45Å; H87-R91 PolarHBondContact O-N 3.14Å; H87-R91 VanDerWaalsContact O-N 3.09Å
88	S	68.1	Low	64.5	Low	36 Å²	36	82.2 Å²	82.2	25%	0.252	44%	0.436	S	S	.	.	H	α-helix	trans	-72	-42	175.7	61.8	0	0	0	0	111.2	K84 S85 K90 R91 E92	K84-S88 WeakPolarHBondContact CB-OG 3.24Å; S85-S88 PolarHBondContact N-OG 2.78Å; S85-S88 PolarHBondContact O-N 2.86Å; S85-S88 PolarHBondContact O-OG 2.91Å; S85-S88 VanDerWaalsContact O-OG 3.06Å; S85-S88 PolarHBondContact OG-N 3.11Å; S85-S88 PolarHBondContact OG-OG 2.9Å; S88-K90 PolarHBondContact O-N 3.27Å; S88-R91 PolarHBondContact O-N 3.09Å; S88-R91 VanDerWaalsContact O-N 3.15Å; S88-E92 WeakPolarHBondContact O-CG 3.45Å; S88-E92 PolarHBondContact O-N 3.13Å
89	K	66	Low	65.4	Low	85 Å²	85	81 Å²	81	37%	0.37	43%	0.427	S	S	.	.	H	α-helix	trans	-55.5	-52.1	172.2	-69.2	-177.7	177.7	172.1	0	111.6	G82 K84 S85 R91 E92 M93	G82-K89 PolarHBondContact O-NZ 3.42Å; K84-K89 HydrophobicContact CB-CD 4.33Å; K84-K89 HydrophobicContact CB-CG 3.76Å; K84-K89 WeakPolarHBondContact O-CE 3.21Å; S85-K89 PolarHBondContact O-N 2.82Å; K89-R91 VanDerWaalsContact C-N 3.27Å; K89-R91 PolarHBondContact O-N 2.9Å; K89-E92 PolarHBondContact O-N 2.87Å; K89-E92 VanDerWaalsContact O-N 3.14Å; K89-M93 WeakPolarHBondContact O-CG 3.45Å; K89-M93 PolarHBondContact O-N 2.57Å
90	K	71.3	Confident	66.3	Low	95 Å²	95	78.8 Å²	78.8	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-32.5	177.5	-165.4	162.3	-172.6	164.5	0	112.8	W7 S86 S88 N94	W7-K90 PolarHBondContact O-NZ 3.05Å; S86-K90 WeakPolarHBondContact O-CB 3.23Å; S86-K90 PolarHBondContact O-N 3.06Å; S88-K90 PolarHBondContact O-N 3.27Å; K90-N94 WeakPolarHBondContact O-CB 3.07Å; K90-N94 PolarHBondContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 3.25Å
91	R	75.7	Confident	67.3	Low	172 Å²	172	75.5 Å²	75.5	65%	0.649	39%	0.391	S	S	*	.	H	α-helix	trans	-74	-36	175.3	-168.3	179.5	-173.6	-167.1	3	113.1	H87 S88 K89 K95	H87-R91 WeakPolarHBondContact O-CB 3.45Å; H87-R91 PolarHBondContact O-N 3.14Å; H87-R91 VanDerWaalsContact O-N 3.09Å; S88-R91 PolarHBondContact O-N 3.09Å; S88-R91 VanDerWaalsContact O-N 3.15Å; K89-R91 VanDerWaalsContact C-N 3.27Å; K89-R91 PolarHBondContact O-N 2.9Å; R91-K95 WeakPolarHBondContact O-CG 3.43Å; R91-K95 PolarHBondContact O-N 2.98Å
92	E	72.3	Confident	68.2	Low	50 Å²	50	74.8 Å²	74.8	23%	0.234	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-41.9	174.8	-72.8	174.5	178.6	0	0	110.7	L74 K84 S88 K89 K95 L96	L74-E92 HydrophobicContact CD2-CB 4.13Å; L74-E92 HydrophobicContact CD2-CG 4.12Å; K84-E92 WeakPolarHBondContact CD-OE2 3.49Å; K84-E92 IonicContact NZ-OE1 3.61Å; K84-E92 PolarHBondContact NZ-OE1 2.95Å; K84-E92 IonicContact NZ-OE2 2.88Å; K84-E92 PolarHBondContact NZ-OE2 2.8Å; S88-E92 WeakPolarHBondContact O-CG 3.45Å; S88-E92 PolarHBondContact O-N 3.13Å; K89-E92 PolarHBondContact O-N 2.87Å; K89-E92 VanDerWaalsContact O-N 3.14Å; E92-K95 WeakPolarHBondContact O-CB 3.22Å; E92-K95 PolarHBondContact O-N 3.08Å; E92-K95 VanDerWaalsContact O-N 3.15Å; E92-L96 PolarHBondContact O-N 2.87Å
93	M	69.4	Low	68.9	Low	30 Å²	30	72.6 Å²	72.6	15%	0.148	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-46.9	173.8	-69.5	-53.7	-63.1	0	0	113.2	V18 V22 K89 K95 L96 Q97	V18-M93 HydrophobicContact CG1-CE 3.25Å; V18-M93 HydrophobicContact CG1-CG 4.3Å; V18-M93 HydrophobicContact CG1-SD 3.31Å; V18-M93 WeakPolarHBondContact CG1-SD 3.38Å; V22-M93 HydrophobicContact CG2-CE 3.34Å; K89-M93 WeakPolarHBondContact O-CG 3.45Å; K89-M93 PolarHBondContact O-N 2.57Å; M93-K95 PolarHBondContact O-N 2.86Å; M93-L96 HydrophobicContact CE-CD2 4.31Å; M93-L96 PolarHBondContact O-N 2.87Å; M93-L96 VanDerWaalsContact O-N 3.09Å; M93-L96 HydrophobicContact SD-CD2 4.2Å; M93-Q97 WeakPolarHBondContact O-CG 3.21Å; M93-Q97 PolarHBondContact O-N 3.22Å
94	N	75.8	Confident	69.4	Low	79 Å²	79	64.9 Å²	64.9	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-22.2	176.5	-71.5	3.6	0	0	0	113.1	K90 K98	K90-N94 WeakPolarHBondContact O-CB 3.07Å; K90-N94 PolarHBondContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 3.25Å; N94-K98 WeakPolarHBondContact O-CG 3.33Å
95	K	77.4	Confident	69.8	Low	97 Å²	97	68.1 Å²	68.1	42%	0.422	34%	0.336	S	S	.	.	H	α-helix	trans	-78.6	-47.3	169.2	-74.1	178	172.7	-170.8	0	111.2	L74 R91 E92 M93 Q97 K98 L99	L74-K95 HydrophobicContact CD1-CB 3.73Å; L74-K95 HydrophobicContact CD1-CD 4.38Å; R91-K95 WeakPolarHBondContact O-CG 3.43Å; R91-K95 PolarHBondContact O-N 2.98Å; E92-K95 WeakPolarHBondContact O-CB 3.22Å; E92-K95 PolarHBondContact O-N 3.08Å; E92-K95 VanDerWaalsContact O-N 3.15Å; M93-K95 PolarHBondContact O-N 2.86Å; K95-Q97 VanDerWaalsContact C-N 3.35Å; K95-Q97 PolarHBondContact O-N 2.93Å; K95-K98 PolarHBondContact O-N 3.09Å; K95-L99 WeakPolarHBondContact O-CG 3.42Å; K95-L99 PolarHBondContact O-N 2.92Å
96	L	72.4	Confident	70.1	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-46.8	-179.2	-173	73.8	0	0	0	111.2	F71 L74 L75 E92 M93 K98 L99 H100	F71-L96 HydrophobicContact CD2-CD1 3.6Å; F71-L96 HydrophobicContact CD2-CG 4.49Å; F71-L96 HydrophobicContact CE2-CD1 3.46Å; F71-L96 VanDerWaalsContact CE2-CD1 3.46Å; F71-L96 HydrophobicContact CE2-CG 4.07Å; F71-L96 HydrophobicContact CZ-CD1 4.39Å; L74-L96 HydrophobicContact CB-CD1 3.82Å; L75-L96 HydrophobicContact CD2-CD1 3.86Å; L75-L96 HydrophobicContact CD2-CD2 4.28Å; L75-L96 HydrophobicContact CG-CD1 3.95Å; E92-L96 PolarHBondContact O-N 2.87Å; M93-L96 HydrophobicContact CE-CD2 4.31Å; M93-L96 PolarHBondContact O-N 2.87Å; M93-L96 VanDerWaalsContact O-N 3.09Å; M93-L96 HydrophobicContact SD-CD2 4.2Å; L96-K98 PolarHBondContact O-N 2.87Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-H100 WeakPolarHBondContact O-CB 3.49Å; L96-H100 PolarHBondContact O-N 2.91Å
97	Q	70.8	Confident	70.3	Confident	32 Å²	32	60.9 Å²	60.9	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-47.1	174.9	-72.9	172.2	-14.3	0	0	112	V22 F26 M93 K95 L99 H100 S101	V22-Q97 HydrophobicContact CG2-CG 4.44Å; F26-Q97 HydrophobicContact CE2-CG 4.46Å; F26-Q97 HydrophobicContact CZ-CB 4.44Å; M93-Q97 WeakPolarHBondContact O-CG 3.21Å; M93-Q97 PolarHBondContact O-N 3.22Å; K95-Q97 VanDerWaalsContact C-N 3.35Å; K95-Q97 PolarHBondContact O-N 2.93Å; Q97-L99 PolarHBondContact O-N 3.05Å; Q97-H100 PolarHBondContact O-N 3.29Å; Q97-S101 PolarHBondContact O-N 3.3Å; Q97-S101 PolarHBondContact O-OG 2.96Å; Q97-S101 VanDerWaalsContact O-OG 3.12Å
98	K	77.5	Confident	70.3	Confident	156 Å²	156	56.5 Å²	56.5	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-43	179	-76.6	-177.3	176.5	-165.9	0	112.6	N94 K95 L96 S101 L102	N94-K98 WeakPolarHBondContact O-CG 3.33Å; K95-K98 PolarHBondContact O-N 3.09Å; L96-K98 PolarHBondContact O-N 2.87Å; K98-S101 PolarHBondContact O-N 3.48Å; K98-L102 WeakPolarHBondContact O-CG 3.44Å; K98-L102 PolarHBondContact O-N 2.78Å; K98-L102 VanDerWaalsContact O-N 3.13Å
99	L	70.6	Confident	70.4	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-39.3	177.6	-70.3	163.9	0	0	0	111.6	D67 L70 F71 L74 K95 L96 Q97 L102 I103	D67-L99 HydrophobicContact CB-CD2 3.81Å; L70-L99 HydrophobicContact CB-CD1 4.27Å; L70-L99 HydrophobicContact CD2-CD1 3.91Å; L70-L99 HydrophobicContact CG-CD1 3.79Å; F71-L99 HydrophobicContact CB-CB 4.16Å; F71-L99 HydrophobicContact CB-CD1 4.38Å; F71-L99 HydrophobicContact CD2-CB 3.81Å; F71-L99 HydrophobicContact CG-CB 4.38Å; L74-L99 HydrophobicContact CD1-CD1 3.64Å; K95-L99 WeakPolarHBondContact O-CG 3.42Å; K95-L99 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 2.89Å; Q97-L99 PolarHBondContact O-N 3.05Å; L99-L102 PolarHBondContact O-N 2.67Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.28Å; L99-I103 PolarHBondContact O-N 3.23Å
100	H	68.8	Low	70.5	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-42	173.7	-171.2	-108.1	0	0	0	112.1	F26 F71 L96 Q97 L102 I103 L104	F26-H100 AromaticContact CD1-CE1 3.94Å; F26-H100 AromaticContact CD1-ND1 3.44Å; F26-H100 WeakPolarHBondContact CD1-ND1 3.29Å; F26-H100 AromaticContact CD2-CE1 3.56Å; F26-H100 AromaticContact CD2-ND1 3.03Å; F26-H100 WeakPolarHBondContact CD2-ND1 3.22Å; F26-H100 AromaticContact CE1-ND1 3.5Å; F26-H100 HydrophobicContact CE2-CB 3.9Å; F26-H100 AromaticContact CE2-CG 3.79Å; F26-H100 AromaticContact CE2-ND1 3.11Å; F26-H100 WeakPolarHBondContact CE2-ND1 3.3Å; F26-H100 AromaticContact CG-CE1 3.51Å; F26-H100 AromaticContact CG-ND1 3.23Å; F26-H100 WeakPolarHBondContact CG-ND1 3.43Å; F26-H100 HydrophobicContact CZ-CB 3.93Å; F26-H100 AromaticContact CZ-ND1 3.36Å; F26-H100 WeakPolarHBondContact CZ-ND1 3.47Å; F71-H100 HydrophobicContact CE2-CB 3.83Å; F71-H100 HydrophobicContact CZ-CB 4.27Å; F71-H100 AromaticContact CZ-CD2 3.8Å; L96-H100 WeakPolarHBondContact O-CB 3.49Å; L96-H100 PolarHBondContact O-N 2.91Å; Q97-H100 PolarHBondContact O-N 3.29Å; H100-L102 VanDerWaalsContact C-N 3.33Å; H100-L102 PolarHBondContact O-N 2.62Å; H100-I103 PolarHBondContact O-N 3.31Å; H100-L104 WeakPolarHBondContact O-CB 3.33Å; H100-L104 PolarHBondContact O-N 3.14Å
101	S	68.3	Low	70.6	Confident	43 Å²	43	49.1 Å²	49.1	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-41.6	174	-62.2	0	0	0	0	112.5	F26 Q97 K98 L104 Q105	F26-S101 WeakPolarHBondContact CE1-OG 3.49Å; Q97-S101 PolarHBondContact O-N 3.3Å; Q97-S101 PolarHBondContact O-OG 2.96Å; Q97-S101 VanDerWaalsContact O-OG 3.12Å; K98-S101 PolarHBondContact O-N 3.48Å; S101-L104 PolarHBondContact O-N 3.17Å; S101-Q105 WeakPolarHBondContact O-CB 3.45Å; S101-Q105 VanDerWaalsContact O-CG 3.27Å; S101-Q105 WeakPolarHBondContact O-CG 3.22Å; S101-Q105 PolarHBondContact O-N 2.91Å
102	L	68.8	Low	70.5	Confident	59 Å²	59	48.9 Å²	48.9	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-41.3	176.4	-70.1	168.7	0	0	0	112	I63 K98 L99 H100 Q105 A106	I63-L102 HydrophobicContact CD1-CB 4.48Å; K98-L102 WeakPolarHBondContact O-CG 3.44Å; K98-L102 PolarHBondContact O-N 2.78Å; K98-L102 VanDerWaalsContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 2.67Å; H100-L102 VanDerWaalsContact C-N 3.33Å; H100-L102 PolarHBondContact O-N 2.62Å; L102-Q105 PolarHBondContact O-N 3.06Å; L102-A106 WeakPolarHBondContact O-CB 3.18Å; L102-A106 PolarHBondContact O-N 2.75Å
103	I	67.2	Low	70.5	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-46.6	174	-72.7	166.3	0	0	0	110.7	I63 F71 L99 H100 A106 Q107 F740	I63-I103 HydrophobicContact CD1-CB 4.27Å; I63-I103 HydrophobicContact CD1-CD1 4.41Å; I63-I103 HydrophobicContact CD1-CG1 3.32Å; F71-I103 HydrophobicContact CB-CD1 3.86Å; F71-I103 HydrophobicContact CD1-CD1 3.26Å; F71-I103 HydrophobicContact CD2-CD1 3.98Å; F71-I103 HydrophobicContact CE1-CD1 3.7Å; F71-I103 HydrophobicContact CE2-CD1 4.37Å; F71-I103 HydrophobicContact CG-CD1 3.42Å; F71-I103 VanDerWaalsContact CG-CD1 3.42Å; F71-I103 HydrophobicContact CZ-CD1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.28Å; L99-I103 PolarHBondContact O-N 3.23Å; H100-I103 PolarHBondContact O-N 3.31Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 3.33Å; I103-Q107 HydrophobicContact CG2-CG 4.48Å; I103-Q107 VanDerWaalsContact O-CG 3.31Å; I103-Q107 WeakPolarHBondContact O-CG 3.44Å; I103-Q107 PolarHBondContact O-N 2.75Å; I103-F740 HydrophobicContact CG1-CE2 4.5Å; I103-F740 HydrophobicContact CG2-CE2 4.26Å
104	L	66.8	Low	70.5	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-38.8	180	-173.9	61.8	0	0	0	111.8	F26 R30 H100 S101 Q107 I108 L734	F26-L104 HydrophobicContact CD1-CD2 4.36Å; R30-L104 HydrophobicContact CG-CD2 4.43Å; H100-L104 WeakPolarHBondContact O-CB 3.33Å; H100-L104 PolarHBondContact O-N 3.14Å; S101-L104 PolarHBondContact O-N 3.17Å; L104-Q107 PolarHBondContact O-N 2.89Å; L104-I108 HydrophobicContact CD1-CD1 4.34Å; L104-I108 HydrophobicContact CG-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CB 3.29Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.96Å; L104-L734 HydrophobicContact CD1-CD1 4.25Å
105	Q	68.4	Low	70.2	Confident	118 Å²	118	48.3 Å²	48.3	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-63.9	-41.6	172.7	-76.8	174.9	-18.9	0	0	112	S101 L102 I108 S109	S101-Q105 WeakPolarHBondContact O-CB 3.45Å; S101-Q105 VanDerWaalsContact O-CG 3.27Å; S101-Q105 WeakPolarHBondContact O-CG 3.22Å; S101-Q105 PolarHBondContact O-N 2.91Å; L102-Q105 PolarHBondContact O-N 3.06Å; Q105-I108 PolarHBondContact O-N 2.79Å; Q105-S109 WeakPolarHBondContact O-CB 3.5Å; Q105-S109 PolarHBondContact O-N 2.91Å
106	A	67.3	Low	69.9	Low	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-46.1	173.9	0	0	0	0	0	111.9	I63 L102 I103 I108 S109 V110	I63-A106 HydrophobicContact CB-CB 4.27Å; I63-A106 HydrophobicContact CG2-CB 3.49Å; I63-A106 VanDerWaalsContact CG2-CB 3.49Å; L102-A106 WeakPolarHBondContact O-CB 3.18Å; L102-A106 PolarHBondContact O-N 2.75Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 3.33Å; A106-I108 PolarHBondContact O-N 3.39Å; A106-S109 WeakPolarHBondContact O-CB 3.18Å; A106-S109 PolarHBondContact O-N 3.15Å; A106-V110 VanDerWaalsContact O-CG2 3.28Å; A106-V110 WeakPolarHBondContact O-CG2 3.27Å; A106-V110 PolarHBondContact O-N 2.92Å
107	Q	66.1	Low	69.6	Low	13 Å²	13	51 Å²	51	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-43.2	175.4	-73.5	167.3	-13.4	0	0	112.1	I103 L104 V110 Q111 L734 A738	I103-Q107 HydrophobicContact CG2-CG 4.48Å; I103-Q107 VanDerWaalsContact O-CG 3.31Å; I103-Q107 WeakPolarHBondContact O-CG 3.44Å; I103-Q107 PolarHBondContact O-N 2.75Å; L104-Q107 PolarHBondContact O-N 2.89Å; Q107-V110 PolarHBondContact O-N 3.3Å; Q107-Q111 VanDerWaalsContact O-CB 3.25Å; Q107-Q111 WeakPolarHBondContact O-CB 3.27Å; Q107-Q111 PolarHBondContact O-N 3Å; Q107-L734 HydrophobicContact CB-CD2 3.97Å; Q107-A738 PolarHBondContact NE2-O 2.93Å
108	I	67.9	Low	69.3	Low	53 Å²	53	51.5 Å²	51.5	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-68	-35	176.5	-67.8	165.3	0	0	0	111.7	L104 Q105 A106 R112 L734	L104-I108 HydrophobicContact CD1-CD1 4.34Å; L104-I108 HydrophobicContact CG-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CB 3.29Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.96Å; Q105-I108 PolarHBondContact O-N 2.79Å; A106-I108 PolarHBondContact O-N 3.39Å; I108-R112 WeakPolarHBondContact O-CG 3.41Å; I108-R112 PolarHBondContact O-N 2.92Å; I108-R112 VanDerWaalsContact O-N 3.1Å; I108-L734 HydrophobicContact CG1-CD1 4.23Å
109	S	69.3	Low	68.6	Low	43 Å²	43	46.3 Å²	46.3	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-48.7	173.5	-170.2	0	0	0	0	111.7	E60 Q105 A106 Q111 R112 Q113	E60-S109 PolarHBondContact O-OG 2.84Å; Q105-S109 WeakPolarHBondContact O-CB 3.5Å; Q105-S109 PolarHBondContact O-N 2.91Å; A106-S109 WeakPolarHBondContact O-CB 3.18Å; A106-S109 PolarHBondContact O-N 3.15Å; S109-Q111 VanDerWaalsContact C-N 3.35Å; S109-Q111 PolarHBondContact O-N 3.39Å; S109-R112 PolarHBondContact O-N 3Å; S109-Q113 WeakPolarHBondContact O-CG 3.43Å; S109-Q113 PolarHBondContact O-N 3.26Å; S109-Q113 VanDerWaalsContact O-N 3.14Å; S109-Q113 PolarHBondContact O-NE2 3.37Å; S109-Q113 PolarHBondContact OG-NE2 2.86Å; S109-Q113 VanDerWaalsContact OG-NE2 3.07Å
110	V	69.4	Low	68.4	Low	1 Å²	1	46 Å²	46	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-47.4	175.3	168.8	0	0	0	0	110.2	P59 Y61 A106 Q107 R112 Q113 L114 W574 L732 L755	P59-V110 HydrophobicContact CB-CB 4.42Å; P59-V110 HydrophobicContact CB-CG1 4.48Å; P59-V110 HydrophobicContact CB-CG2 4.03Å; P59-V110 HydrophobicContact CG-CG1 4.34Å; Y61-V110 HydrophobicContact CD1-CG2 3.83Å; A106-V110 VanDerWaalsContact O-CG2 3.28Å; A106-V110 WeakPolarHBondContact O-CG2 3.27Å; A106-V110 PolarHBondContact O-N 2.92Å; Q107-V110 PolarHBondContact O-N 3.3Å; V110-R112 PolarHBondContact O-N 3.45Å; V110-Q113 PolarHBondContact O-N 3.09Å; V110-L114 HydrophobicContact CG1-CD1 3.66Å; V110-L114 HydrophobicContact CG1-CG 4.3Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 2.8Å; V110-W574 HydrophobicContact CG1-CB 4.29Å; V110-W574 HydrophobicContact CG1-CD2 4.1Å; V110-W574 HydrophobicContact CG1-CE3 3.78Å; V110-W574 HydrophobicContact CG1-CG 4.31Å; V110-L732 HydrophobicContact CG1-CD1 4.43Å; V110-L755 HydrophobicContact CG2-CD1 4.02Å
111	Q	72.6	Confident	68.1	Low	16 Å²	16	47.3 Å²	47.3	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-44.9	179.3	-179.2	52.8	48.3	0	0	112.7	Q107 S109 L114 E115 L732	Q107-Q111 VanDerWaalsContact O-CB 3.25Å; Q107-Q111 WeakPolarHBondContact O-CB 3.27Å; Q107-Q111 PolarHBondContact O-N 3Å; S109-Q111 VanDerWaalsContact C-N 3.35Å; S109-Q111 PolarHBondContact O-N 3.39Å; Q111-L114 PolarHBondContact O-N 2.92Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.41Å; Q111-E115 PolarHBondContact NE2-OE1 3.06Å; Q111-E115 PolarHBondContact O-N 3.45Å; Q111-L732 VanDerWaalsContact OE1-CB 3.31Å; Q111-L732 VanDerWaalsContact OE1-CG 3.22Å
112	R	73.8	Confident	68.1	Low	168 Å²	168	47.7 Å²	47.7	63%	0.634	24%	0.243	S	C	*	.	H	α-helix	trans	-65.3	-39.3	177.5	-72.8	172.1	178.5	-171.9	-1.4	112.6	I108 S109 V110 L114 E115 L116	I108-R112 WeakPolarHBondContact O-CG 3.41Å; I108-R112 PolarHBondContact O-N 2.92Å; I108-R112 VanDerWaalsContact O-N 3.1Å; S109-R112 PolarHBondContact O-N 3Å; V110-R112 PolarHBondContact O-N 3.45Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-E115 PolarHBondContact O-N 3.09Å; R112-L116 WeakPolarHBondContact O-CG 3.25Å; R112-L116 PolarHBondContact O-N 2.84Å; R112-L116 VanDerWaalsContact O-N 3.15Å
113	Q	71	Confident	68.2	Low	47 Å²	47	47.8 Å²	47.8	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-33.9	177.6	-71.3	170.1	83.5	0	0	112	I57 P59 E60 S109 V110 L116 A117	I57-Q113 HydrophobicContact CD1-CB 3.89Å; I57-Q113 WeakPolarHBondContact CD1-O 3.45Å; P59-Q113 HydrophobicContact CB-CB 4.14Å; E60-Q113 PolarHBondContact O-NE2 2.75Å; S109-Q113 WeakPolarHBondContact O-CG 3.43Å; S109-Q113 PolarHBondContact O-N 3.26Å; S109-Q113 VanDerWaalsContact O-N 3.14Å; S109-Q113 PolarHBondContact O-NE2 3.37Å; S109-Q113 PolarHBondContact OG-NE2 2.86Å; S109-Q113 VanDerWaalsContact OG-NE2 3.07Å; V110-Q113 PolarHBondContact O-N 3.09Å; Q113-L116 PolarHBondContact O-N 2.79Å; Q113-A117 WeakPolarHBondContact O-CB 3.43Å; Q113-A117 PolarHBondContact O-N 3.42Å; Q113-A117 VanDerWaalsContact O-N 3.12Å
114	L	69.5	Low	68.7	Low	8 Å²	8	48.1 Å²	48.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	-29.8	172	-68.2	168.8	0	0	0	113.4	T54 I57 V110 Q111 R112 L571 W574 L732	T54-L114 HydrophobicContact CG2-CD2 4.48Å; I57-L114 HydrophobicContact CG2-CD2 3.96Å; V110-L114 HydrophobicContact CG1-CD1 3.66Å; V110-L114 HydrophobicContact CG1-CG 4.3Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 2.8Å; Q111-L114 PolarHBondContact O-N 2.92Å; R112-L114 VanDerWaalsContact C-N 3.35Å; L114-L571 HydrophobicContact CD1-CD1 4.27Å; L114-L571 HydrophobicContact CD1-CD2 4.04Å; L114-L571 HydrophobicContact CD2-CD2 4.06Å; L114-L571 HydrophobicContact CG-CD2 4.48Å; L114-W574 HydrophobicContact CD1-CB 3.87Å; L114-W574 HydrophobicContact CD1-CD2 4.46Å; L114-W574 HydrophobicContact CD1-CG 3.74Å; L114-W574 HydrophobicContact CD2-CG 4.37Å; L114-L732 HydrophobicContact CD1-CD1 4.2Å
115	E	71.2	Confident	69.6	Low	92 Å²	92	48.1 Å²	48.1	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-73.1	-26.2	173	-82.9	172.4	-137.5	0	0	113.5	Q111 R112 R731	Q111-E115 WeakPolarHBondContact CG-OE1 3.41Å; Q111-E115 PolarHBondContact NE2-OE1 3.06Å; Q111-E115 PolarHBondContact O-N 3.45Å; R112-E115 PolarHBondContact O-N 3.09Å; E115-R731 IonicContact OE1-CZ 3.4Å; E115-R731 IonicContact OE1-NE 3.58Å; E115-R731 PolarHBondContact OE1-NE 3.21Å; E115-R731 IonicContact OE1-NH2 3.6Å; E115-R731 PolarHBondContact OE1-NH2 3.25Å; E115-R731 IonicContact OE2-CZ 3.5Å; E115-R731 IonicContact OE2-NE 2.73Å; E115-R731 PolarHBondContact OE2-NE 3.2Å; E115-R731 IonicContact OE2-NH2 2.71Å; E115-R731 PolarHBondContact OE2-NH2 3.1Å
116	L	69.7	Low	70.3	Confident	148 Å²	148	44 Å²	44	78%	0.775	23%	0.232	S	C	*	.	H	α-helix	trans	-90.6	-27.3	-179.8	-71.6	170.1	0	0	0	113.7	R112 Q113	R112-L116 WeakPolarHBondContact O-CG 3.25Å; R112-L116 PolarHBondContact O-N 2.84Å; R112-L116 VanDerWaalsContact O-N 3.15Å; Q113-L116 PolarHBondContact O-N 2.79Å
117	A	67.6	Low	71.1	Confident	18 Å²	18	47.5 Å²	47.5	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	-80.9	152.8	-178.1	0	0	0	0	0	112.3	T54 I57 Q113	T54-A117 HydrophobicContact CG2-CB 3.46Å; T54-A117 VanDerWaalsContact CG2-CB 3.46Å; T54-A117 WeakPolarHBondContact CG2-O 3.32Å; I57-A117 HydrophobicContact CD1-CB 3.81Å; Q113-A117 WeakPolarHBondContact O-CB 3.43Å; Q113-A117 PolarHBondContact O-N 3.42Å; Q113-A117 VanDerWaalsContact O-N 3.12Å
118	N	63.6	Low	72.1	Confident	42 Å²	42	51.4 Å²	51.4	23%	0.225	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-67.6	138.5	-169.5	-75.5	-75.1	0	0	0	112.1	L51 I52 T54	L51-N118 WeakPolarHBondContact CB-ND2 3.27Å; I52-N118 PolarHBondContact O-N 3.44Å; T54-N118 WeakPolarHBondContact CG2-O 3.26Å; T54-N118 PolarHBondContact N-O 3.42Å; T54-N118 PolarHBondContact OG1-O 2.9Å
119	P	63.3	Low	73	Confident	48 Å²	48	49.2 Å²	49.2	31%	0.312	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-59.9	154.7	165.6	-17.1	30.9	0	0	0	109.9	L726	P119-L726 VanDerWaalsContact CB-C 3.43Å; P119-L726 HydrophobicContact CB-CB 3.76Å; P119-L726 WeakPolarHBondContact CB-O 3.46Å; P119-L726 WeakPolarHBondContact O-CB 3.22Å
120	C	65.4	Low	73.8	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.041	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-150.5	163.2	178.8	31.5	0	0	0	0	112.7	C53 T54 V727	C53-C120 HydrophobicContact CB-CB 3.7Å; C53-C120 WeakPolarHBondContact CB-SG 3.35Å; C53-C120 WeakPolarHBondContact SG-CB 3.39Å; C53-C120 CovalentContact SG-SG 2.04Å; C53-C120 PolarHBondContact SG-SG 3.26Å; T54-C120 PolarHBondContact N-SG 3.38Å; T54-C120 PolarHBondContact OG1-SG 3.11Å; T54-C120 VanDerWaalsContact OG1-SG 3.42Å; C120-V727 PolarHBondContact O-N 2.86Å
121	S	62.1	Low	74.8	Confident	50 Å²	50	52.6 Å²	52.6	35%	0.35	27%	0.274	S	S	.	.	S	Bend	trans	-78.8	-22.9	175.4	51.5	0	0	0	0	112.9	G124	S121-G124 PolarHBondContact O-N 3.39Å
122	H	68.5	Low	75.5	Confident	51 Å²	51	53.6 Å²	53.6	24%	0.236	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	143.5	176.5	-49.8	103	0	0	0	111.5	C53 C55 F56 G124 D708	C53-H122 PolarHBondContact SG-ND1 3.49Å; C55-H122 HydrophobicContact CB-CB 4.2Å; F56-H122 AromaticContact CE2-ND1 3.91Å; H122-G124 PolarHBondContact O-N 3.16Å; H122-D708 IonicContact CE1-OD1 2.65Å; H122-D708 PolarHBondContact CE1-OD1 3.06Å; H122-D708 IonicContact CE1-OD2 3.73Å; H122-D708 IonicContact NE2-OD1 4Å; H122-D708 PolarHBondContact NE2-OD1 3.17Å; H122-D708 VanDerWaalsContact NE2-OD1 3.12Å; H122-D708 IonicContact NE2-OD2 2.63Å; H122-D708 PolarHBondContact NE2-OD2 3.36Å
123	N	71	Confident	76.2	Confident	60 Å²	60	45.6 Å²	45.6	32%	0.321	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	10.4	-169.1	-64.4	-15.9	0	0	0	116.2	C55 P606 N607	C55-N123 PolarHBondContact SG-ND2 3.03Å; C55-N123 VanDerWaalsContact SG-ND2 3.41Å; N123-P606 WeakPolarHBondContact O-CB 3.43Å; N123-P606 WeakPolarHBondContact O-CG 3.32Å; N123-N607 PolarHBondContact O-N 3.47Å; N123-N607 PolarHBondContact OD1-ND2 2.88Å
124	G	79	Confident	77	Confident	15 Å²	15	43.6 Å²	43.6	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	-66.3	-178.3	165.5	0	0	0	0	0	114.6	S121 H122 N607	S121-G124 PolarHBondContact O-N 3.39Å; H122-G124 PolarHBondContact O-N 3.16Å; G124-N607 WeakPolarHBondContact O-CA 3.36Å; G124-N607 WeakPolarHBondContact O-CB 3.39Å; G124-N607 PolarHBondContact O-N 3.39Å
125	L	84.3	Confident	77.9	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.068	26%	0.256	C	S	.	.	S	Bend	trans	-63.2	133.2	173.9	-176.5	69.5	0	0	0	109.1	N129 E130 L133 A280 F283 Y284	L125-N129 HydrophobicContact CD1-CB 3.85Å; L125-N129 HydrophobicContact CD2-CB 4.12Å; L125-N129 HydrophobicContact CG-CB 3.8Å; L125-E130 HydrophobicContact CB-CG 3.97Å; L125-E130 HydrophobicContact CD2-CG 4.06Å; L125-E130 HydrophobicContact CG-CG 4.12Å; L125-E130 WeakPolarHBondContact O-CG 3.23Å; L125-L133 HydrophobicContact CD2-CD2 4.45Å; L125-A280 HydrophobicContact CB-CB 4.38Å; L125-F283 HydrophobicContact CD1-CB 4.28Å; L125-F283 HydrophobicContact CD1-CD1 3.72Å; L125-F283 HydrophobicContact CD1-CD2 4.44Å; L125-F283 HydrophobicContact CD1-CE1 4.23Å; L125-F283 HydrophobicContact CD1-CG 3.87Å; L125-F283 HydrophobicContact CD2-CB 3.85Å; L125-F283 HydrophobicContact CD2-CD2 4.17Å; L125-F283 HydrophobicContact CD2-CG 3.97Å; L125-Y284 HydrophobicContact CD1-CE2 4Å
126	P	84.8	Confident	78.6	Confident	32 Å²	32	43.3 Å²	43.3	21%	0.208	24%	0.237	C	C	.	.			trans	-63.9	148.7	-175.5	-27.9	40.1	0	0	0	113	T128 N129 E130 V192 N607	P126-T128 PolarHBondContact O-N 3.36Å; P126-T128 VanDerWaalsContact O-N 3.1Å; P126-N129 WeakPolarHBondContact O-CA 3.09Å; P126-N129 WeakPolarHBondContact O-CB 3.41Å; P126-N129 PolarHBondContact O-N 3.13Å; P126-E130 PolarHBondContact O-N 2.94Å; P126-V192 HydrophobicContact CB-CG1 4.1Å; P126-V192 HydrophobicContact CG-CG1 3.74Å; P126-V192 HydrophobicContact CG-CG2 4.49Å; P126-N607 VanDerWaalsContact CG-O 3.32Å; P126-N607 WeakPolarHBondContact CG-O 3.43Å
127	L	83.7	Confident	79.4	Confident	74 Å²	74	36.7 Å²	36.7	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-54.1	-35	-172.9	-178.6	65.9	0	0	0	114	N129 K131 L701 L704 S705	L127-N129 PolarHBondContact O-N 3.03Å; L127-K131 VanDerWaalsContact O-CB 3.27Å; L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 PolarHBondContact O-N 2.89Å; L127-L701 HydrophobicContact CD1-CD2 4.03Å; L127-L704 HydrophobicContact CD1-CB 3.94Å; L127-S705 VanDerWaalsContact CD2-OG 3.31Å; L127-S705 WeakPolarHBondContact CD2-OG 3.26Å
128	T	85.6	Confident	80.4	Confident	94 Å²	94	36.5 Å²	36.5	58%	0.577	20%	0.202	S	C	*	.	H	α-helix	trans	-58.6	-37.1	173.5	46.8	0	0	0	0	112.8	P126 Q132	P126-T128 PolarHBondContact O-N 3.36Å; P126-T128 VanDerWaalsContact O-N 3.1Å; T128-Q132 PolarHBondContact O-N 2.94Å
129	N	87	Confident	81.5	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-91.2	-36.6	-171.7	-63.2	25.9	0	0	0	110.5	L125 P126 L127 K131 Q132 L133 V192 F283	L125-N129 HydrophobicContact CD1-CB 3.85Å; L125-N129 HydrophobicContact CD2-CB 4.12Å; L125-N129 HydrophobicContact CG-CB 3.8Å; P126-N129 WeakPolarHBondContact O-CA 3.09Å; P126-N129 WeakPolarHBondContact O-CB 3.41Å; P126-N129 PolarHBondContact O-N 3.13Å; L127-N129 PolarHBondContact O-N 3.03Å; N129-K131 VanDerWaalsContact C-N 3.34Å; N129-Q132 PolarHBondContact O-N 2.95Å; N129-L133 VanDerWaalsContact O-CB 3.28Å; N129-L133 WeakPolarHBondContact O-CB 3.45Å; N129-L133 PolarHBondContact O-N 3.17Å; N129-V192 PolarHBondContact ND2-O 3.39Å; N129-V192 PolarHBondContact OD1-O 2.88Å; N129-F283 HydrophobicContact CB-CD2 4.04Å; N129-F283 HydrophobicContact CB-CE2 3.59Å; N129-F283 HydrophobicContact CB-CZ 3.89Å; N129-F283 WeakPolarHBondContact ND2-CZ 3.47Å
130	E	87.3	Confident	82.4	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-48.4	164.8	-73.1	-77.9	-147.8	0	0	110.6	L125 P126 L133 M134 R279 L701 L704	L125-E130 HydrophobicContact CB-CG 3.97Å; L125-E130 HydrophobicContact CD2-CG 4.06Å; L125-E130 HydrophobicContact CG-CG 4.12Å; L125-E130 WeakPolarHBondContact O-CG 3.23Å; P126-E130 PolarHBondContact O-N 2.94Å; E130-L133 PolarHBondContact O-N 3.18Å; E130-M134 HydrophobicContact CB-CE 3.97Å; E130-M134 WeakPolarHBondContact O-CG 3.2Å; E130-M134 PolarHBondContact O-N 2.65Å; E130-M134 WeakPolarHBondContact OE2-CE 3.26Å; E130-R279 VanDerWaalsContact CD-NE 3.32Å; E130-R279 IonicContact OE1-CZ 2.64Å; E130-R279 IonicContact OE1-NE 3.47Å; E130-R279 PolarHBondContact OE1-NE 2.89Å; E130-R279 VanDerWaalsContact OE1-NE 3.09Å; E130-R279 IonicContact OE1-NH2 3.5Å; E130-R279 PolarHBondContact OE1-NH2 3.21Å; E130-R279 WeakPolarHBondContact OE2-CD 3.45Å; E130-R279 IonicContact OE2-CZ 3.88Å; E130-R279 IonicContact OE2-NE 3.12Å; E130-R279 PolarHBondContact OE2-NE 2.86Å; E130-R279 IonicContact OE2-NH2 2.75Å; E130-L701 HydrophobicContact CB-CD2 4.13Å; E130-L704 HydrophobicContact CG-CD1 4.42Å
131	K	88.9	Confident	83.5	Confident	109 Å²	109	39 Å²	39	47%	0.474	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-48.1	175.3	178.2	170.3	176.1	171.2	0	112	L127 N129 L133 M134 E135 L701	L127-K131 VanDerWaalsContact O-CB 3.27Å; L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 PolarHBondContact O-N 2.89Å; N129-K131 VanDerWaalsContact C-N 3.34Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 3.06Å; K131-M134 PolarHBondContact O-N 3.32Å; K131-E135 WeakPolarHBondContact CE-OE1 3.35Å; K131-E135 HydrophobicContact CG-CG 4.49Å; K131-E135 WeakPolarHBondContact O-CB 3.33Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.34Å; K131-L701 HydrophobicContact CB-CD1 4.15Å; K131-L701 HydrophobicContact CB-CD2 4.02Å; K131-L701 HydrophobicContact CG-CD1 4.14Å
132	Q	88.4	Confident	84.7	Confident	36 Å²	36	39.3 Å²	39.3	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-43.3	178.9	-167.7	-174.5	18.3	0	0	111.8	T128 N129 E135 L136 I196	T128-Q132 PolarHBondContact O-N 2.94Å; N129-Q132 PolarHBondContact O-N 2.95Å; Q132-E135 PolarHBondContact O-N 3.05Å; Q132-L136 HydrophobicContact CG-CD1 4.08Å; Q132-L136 WeakPolarHBondContact O-CB 3.43Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.32Å; Q132-L136 PolarHBondContact O-N 3.38Å; Q132-I196 VanDerWaalsContact NE2-N 3.14Å; Q132-I196 PolarHBondContact NE2-O 3.23Å
133	L	88.2	Confident	85.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-49.2	178.7	-177.1	69.5	0	0	0	111.4	L125 N129 E130 K131 E135 L136 Q137 Y201 R279 F283	L125-L133 HydrophobicContact CD2-CD2 4.45Å; N129-L133 VanDerWaalsContact O-CB 3.28Å; N129-L133 WeakPolarHBondContact O-CB 3.45Å; N129-L133 PolarHBondContact O-N 3.17Å; E130-L133 PolarHBondContact O-N 3.18Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 3.06Å; L133-E135 PolarHBondContact O-N 2.63Å; L133-L136 PolarHBondContact O-N 3.17Å; L133-Q137 WeakPolarHBondContact O-CG 3.2Å; L133-Q137 PolarHBondContact O-N 2.96Å; L133-Y201 HydrophobicContact CD1-CE2 3.47Å; L133-Y201 VanDerWaalsContact CD1-CE2 3.47Å; L133-R279 HydrophobicContact CD2-CB 3.6Å; L133-R279 HydrophobicContact CD2-CG 4.11Å; L133-R279 WeakPolarHBondContact CD2-O 3.46Å; L133-F283 HydrophobicContact CD1-CB 4.48Å
134	M	87.9	Confident	86.1	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-36.9	179.7	-66.8	175.8	-148.8	0	0	112.1	E130 K131 L136 Q137 G138 P273 L700 L701	E130-M134 HydrophobicContact CB-CE 3.97Å; E130-M134 WeakPolarHBondContact O-CG 3.2Å; E130-M134 PolarHBondContact O-N 2.65Å; E130-M134 WeakPolarHBondContact OE2-CE 3.26Å; K131-M134 PolarHBondContact O-N 3.32Å; M134-L136 VanDerWaalsContact C-N 3.35Å; M134-Q137 PolarHBondContact O-N 3.4Å; M134-G138 PolarHBondContact O-N 3.04Å; M134-P273 HydrophobicContact SD-CG 4.23Å; M134-L700 HydrophobicContact CE-CD2 3.42Å; M134-L700 VanDerWaalsContact CE-CD2 3.42Å; M134-L700 HydrophobicContact CE-CG 4.01Å; M134-L700 HydrophobicContact SD-CD2 3.98Å; M134-L700 HydrophobicContact SD-CG 4.45Å; M134-L701 HydrophobicContact CE-CD2 4Å; M134-L701 HydrophobicContact CE-CG 4.45Å; M134-L701 HydrophobicContact SD-CD1 4.12Å; M134-L701 HydrophobicContact SD-CD2 3.8Å; M134-L701 HydrophobicContact SD-CG 3.69Å
135	E	88.8	Confident	86.5	Confident	85 Å²	85	40.9 Å²	40.9	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-40.7	171.7	-84.8	-166.7	-139.3	0	0	112.5	K131 Q132 L133 K139	K131-E135 WeakPolarHBondContact CE-OE1 3.35Å; K131-E135 HydrophobicContact CG-CG 4.49Å; K131-E135 WeakPolarHBondContact O-CB 3.33Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.34Å; Q132-E135 PolarHBondContact O-N 3.05Å; L133-E135 PolarHBondContact O-N 2.63Å; E135-K139 WeakPolarHBondContact O-CB 3.38Å; E135-K139 WeakPolarHBondContact O-CD 3.05Å; E135-K139 WeakPolarHBondContact O-CG 3.1Å; E135-K139 PolarHBondContact O-N 2.84Å; E135-K139 IonicContact OE2-NZ 3.45Å; E135-K139 PolarHBondContact OE2-NZ 3.41Å
136	L	86.1	Confident	86.6	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-44.5	177.2	-72.3	168.2	0	0	0	111.2	Q132 L133 M134 K139 E140 I196 A198 Y201 F202	Q132-L136 HydrophobicContact CG-CD1 4.08Å; Q132-L136 WeakPolarHBondContact O-CB 3.43Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.32Å; Q132-L136 PolarHBondContact O-N 3.38Å; L133-L136 PolarHBondContact O-N 3.17Å; M134-L136 VanDerWaalsContact C-N 3.35Å; L136-K139 PolarHBondContact O-N 3.45Å; L136-E140 WeakPolarHBondContact O-CB 3.28Å; L136-E140 PolarHBondContact O-N 3.4Å; L136-I196 HydrophobicContact CD1-CB 3.98Å; L136-I196 HydrophobicContact CD1-CG2 3.99Å; L136-A198 HydrophobicContact CD2-CB 3.55Å; L136-Y201 HydrophobicContact CB-CD1 3.69Å; L136-Y201 HydrophobicContact CB-CD2 4.31Å; L136-Y201 HydrophobicContact CB-CE1 3.96Å; L136-Y201 HydrophobicContact CB-CG 3.88Å; L136-Y201 HydrophobicContact CD1-CD2 3.93Å; L136-Y201 HydrophobicContact CD1-CG 3.87Å; L136-Y201 HydrophobicContact CG-CG 4.32Å; L136-F202 HydrophobicContact CD2-CZ 4.42Å
137	Q	86.3	Confident	86.7	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-43.4	174.9	-71.5	-179.5	-31.2	0	0	112.6	L133 M134 E140 Q141 Y201 F693	L133-Q137 WeakPolarHBondContact O-CG 3.2Å; L133-Q137 PolarHBondContact O-N 2.96Å; M134-Q137 PolarHBondContact O-N 3.4Å; Q137-E140 PolarHBondContact O-N 3.17Å; Q137-Q141 WeakPolarHBondContact O-CB 3.38Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.31Å; Q137-Q141 PolarHBondContact O-N 3.36Å; Q137-Q141 PolarHBondContact O-NE2 3.49Å; Q137-Q141 VanDerWaalsContact O-NE2 3.16Å; Q137-Y201 HydrophobicContact CG-CE1 4.1Å; Q137-Y201 WeakPolarHBondContact CG-OH 3.41Å; Q137-Y201 PolarHBondContact NE2-OH 3.4Å; Q137-F693 HydrophobicContact CB-CE1 4.12Å; Q137-F693 HydrophobicContact CB-CZ 3.77Å
138	G	88.6	Confident	86.9	Confident	13 Å²	13	46.3 Å²	46.3	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-43.8	175.2	0	0	0	0	0	112.1	M134 T142	M134-G138 PolarHBondContact O-N 3.04Å; G138-T142 VanDerWaalsContact O-CB 3.25Å; G138-T142 WeakPolarHBondContact O-CB 3.02Å; G138-T142 PolarHBondContact O-N 2.9Å; G138-T142 PolarHBondContact O-OG1 2.9Å
139	K	86.7	Confident	86.9	Confident	104 Å²	104	43.5 Å²	43.5	45%	0.452	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-38.5	177	-70.5	161.2	-161.8	166.8	0	112.3	E135 L136 F143 F202	E135-K139 WeakPolarHBondContact O-CB 3.38Å; E135-K139 WeakPolarHBondContact O-CD 3.05Å; E135-K139 WeakPolarHBondContact O-CG 3.1Å; E135-K139 PolarHBondContact O-N 2.84Å; E135-K139 IonicContact OE2-NZ 3.45Å; E135-K139 PolarHBondContact OE2-NZ 3.41Å; L136-K139 PolarHBondContact O-N 3.45Å; K139-F143 VanDerWaalsContact O-CB 3.26Å; K139-F143 WeakPolarHBondContact O-CB 3.11Å; K139-F143 PolarHBondContact O-N 3.08Å; K139-F202 HydrophobicContact CB-CE1 4.21Å; K139-F202 HydrophobicContact CB-CZ 4.01Å
140	E	82.7	Confident	87	Confident	32 Å²	32	45.1 Å²	45.1	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-51.5	177.7	-172	154.5	-140.2	0	0	111.8	L136 Q137 T142 F143 Y144 Y201 F202 E203	L136-E140 WeakPolarHBondContact O-CB 3.28Å; L136-E140 PolarHBondContact O-N 3.4Å; Q137-E140 PolarHBondContact O-N 3.17Å; E140-T142 PolarHBondContact O-N 2.86Å; E140-F143 PolarHBondContact O-N 3.27Å; E140-Y144 WeakPolarHBondContact O-CB 3.5Å; E140-Y144 PolarHBondContact O-N 3.06Å; E140-Y201 WeakPolarHBondContact OE2-CE1 3.43Å; E140-F202 HydrophobicContact CB-CD1 3.69Å; E140-F202 HydrophobicContact CB-CE1 3.74Å; E140-F202 HydrophobicContact CG-CD1 3.95Å; E140-F202 HydrophobicContact CG-CE1 4.48Å; E140-F202 VanDerWaalsContact OE1-CA 3.29Å; E140-F202 WeakPolarHBondContact OE1-CA 3.47Å; E140-E203 PolarHBondContact OE1-N 2.65Å
141	Q	88	Confident	87.1	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-41.8	-179.9	-66	173.2	117.5	0	0	111.2	Q137 F143 Y144 I145 F693	Q137-Q141 WeakPolarHBondContact O-CB 3.38Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.31Å; Q137-Q141 PolarHBondContact O-N 3.36Å; Q137-Q141 PolarHBondContact O-NE2 3.49Å; Q137-Q141 VanDerWaalsContact O-NE2 3.16Å; Q141-F143 PolarHBondContact O-N 3.23Å; Q141-Y144 PolarHBondContact O-N 3.44Å; Q141-I145 HydrophobicContact CB-CD1 4.48Å; Q141-I145 VanDerWaalsContact O-CB 3.32Å; Q141-I145 WeakPolarHBondContact O-CB 3.38Å; Q141-I145 VanDerWaalsContact O-CG1 3.23Å; Q141-I145 WeakPolarHBondContact O-CG1 3.36Å; Q141-I145 PolarHBondContact O-N 3.36Å; Q141-F693 VanDerWaalsContact NE2-CD1 3.3Å; Q141-F693 VanDerWaalsContact NE2-CE1 3.27Å; Q141-F693 VanDerWaalsContact NE2-CZ 3.34Å
142	T	87.2	Confident	87.2	Confident	57 Å²	57	41.2 Å²	41.2	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-44.7	175.1	-55.1	0	0	0	0	111.3	G138 E140 Y144 N146	G138-T142 VanDerWaalsContact O-CB 3.25Å; G138-T142 WeakPolarHBondContact O-CB 3.02Å; G138-T142 PolarHBondContact O-N 2.9Å; G138-T142 PolarHBondContact O-OG1 2.9Å; E140-T142 PolarHBondContact O-N 2.86Å; T142-Y144 VanDerWaalsContact C-N 3.29Å; T142-Y144 PolarHBondContact O-N 2.98Å; T142-N146 WeakPolarHBondContact O-CB 3.41Å; T142-N146 PolarHBondContact O-N 3.09Å; T142-N146 PolarHBondContact O-ND2 3.05Å
143	F	83.9	Confident	87.3	Confident	110 Å²	110	43.3 Å²	43.3	48%	0.482	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-38.8	175.6	176.8	-94	0	0	0	111.9	K139 E140 Q141 K204	K139-F143 VanDerWaalsContact O-CB 3.26Å; K139-F143 WeakPolarHBondContact O-CB 3.11Å; K139-F143 PolarHBondContact O-N 3.08Å; E140-F143 PolarHBondContact O-N 3.27Å; Q141-F143 PolarHBondContact O-N 3.23Å; F143-K204 HydrophobicContact CE1-CD 4.12Å; F143-K204 VanDerWaalsContact CE1-NZ 3.29Å
144	Y	83.7	Confident	87.3	Confident	46 Å²	46	45.8 Å²	45.8	18%	0.18	24%	0.235	C	C	.	.	H	α-helix	trans	-79.7	-40.6	-176.3	-172.5	-124.2	0	0	0	113.7	E140 Q141 T142 N146 T147 L148 P246 G266 N267	E140-Y144 WeakPolarHBondContact O-CB 3.5Å; E140-Y144 PolarHBondContact O-N 3.06Å; Q141-Y144 PolarHBondContact O-N 3.44Å; T142-Y144 VanDerWaalsContact C-N 3.29Å; T142-Y144 PolarHBondContact O-N 2.98Å; Y144-N146 PolarHBondContact O-N 2.8Å; Y144-T147 WeakPolarHBondContact CD2-OG1 3.28Å; Y144-T147 WeakPolarHBondContact O-CA 3.35Å; Y144-T147 PolarHBondContact O-N 2.93Å; Y144-T147 PolarHBondContact O-OG1 3.36Å; Y144-L148 HydrophobicContact CD1-CD1 4.14Å; Y144-L148 HydrophobicContact CE1-CD1 3.72Å; Y144-L148 HydrophobicContact CE1-CG 4.35Å; Y144-P246 HydrophobicContact CE1-CG 4.16Å; Y144-G266 WeakPolarHBondContact OH-CA 3.36Å; Y144-N267 HydrophobicContact CD1-CB 3.88Å; Y144-N267 HydrophobicContact CE1-CB 3.95Å; Y144-N267 VanDerWaalsContact CE1-O 3.25Å; Y144-N267 WeakPolarHBondContact CE1-O 3.42Å; Y144-N267 HydrophobicContact CG-CB 4.4Å
145	I	88.5	Confident	87.3	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-37.8	174.1	-72	166.5	0	0	0	110.9	Q141 T147 L148 I269 L686	Q141-I145 HydrophobicContact CB-CD1 4.48Å; Q141-I145 VanDerWaalsContact O-CB 3.32Å; Q141-I145 WeakPolarHBondContact O-CB 3.38Å; Q141-I145 VanDerWaalsContact O-CG1 3.23Å; Q141-I145 WeakPolarHBondContact O-CG1 3.36Å; Q141-I145 PolarHBondContact O-N 3.36Å; I145-T147 PolarHBondContact O-N 2.68Å; I145-L148 PolarHBondContact O-N 2.74Å; I145-I269 HydrophobicContact CD1-CD1 4.35Å; I145-I269 HydrophobicContact CD1-CG2 3.89Å; I145-I269 HydrophobicContact CG1-CD1 3.78Å; I145-I269 HydrophobicContact CG1-CG1 4.27Å; I145-I269 HydrophobicContact CG1-CG2 4.48Å; I145-L686 HydrophobicContact CG1-CB 4.31Å; I145-L686 HydrophobicContact CG1-CD1 4.47Å; I145-L686 HydrophobicContact CG2-CB 3.66Å; I145-L686 HydrophobicContact CG2-CD1 4.43Å
146	N	86.9	Confident	87.1	Confident	118 Å²	118	46 Å²	46	63%	0.631	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.1	173.4	-71.3	-24.2	0	0	0	114.5	T142 Y144	T142-N146 WeakPolarHBondContact O-CB 3.41Å; T142-N146 PolarHBondContact O-N 3.09Å; T142-N146 PolarHBondContact O-ND2 3.05Å; Y144-N146 PolarHBondContact O-N 2.8Å
147	T	85.6	Confident	86.9	Confident	89 Å²	89	50.1 Å²	50.1	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-2.9	172.5	66.7	0	0	0	0	113.7	Y144 I145	Y144-T147 WeakPolarHBondContact CD2-OG1 3.28Å; Y144-T147 WeakPolarHBondContact O-CA 3.35Å; Y144-T147 PolarHBondContact O-N 2.93Å; Y144-T147 PolarHBondContact O-OG1 3.36Å; I145-T147 PolarHBondContact O-N 2.68Å
148	L	87.7	Confident	86.4	Confident	26 Å²	26	50.5 Å²	50.5	14%	0.136	28%	0.28	C	S	.	.	S	Bend	trans	-106.6	158.9	-177.9	-69.6	172.1	0	0	0	111.7	Y144 I145 P246 I269 L686	Y144-L148 HydrophobicContact CD1-CD1 4.14Å; Y144-L148 HydrophobicContact CE1-CD1 3.72Å; Y144-L148 HydrophobicContact CE1-CG 4.35Å; I145-L148 PolarHBondContact O-N 2.74Å; L148-P246 HydrophobicContact CD1-CB 3.94Å; L148-P246 HydrophobicContact CD1-CG 3.61Å; L148-P246 HydrophobicContact CD2-CB 4.11Å; L148-I269 HydrophobicContact CD1-CD1 3.87Å; L148-L686 HydrophobicContact CB-CD1 3.82Å; L148-L686 HydrophobicContact CD1-CD1 3.73Å; L148-L686 HydrophobicContact CG-CD1 4.45Å
149	P	87.4	Confident	85.6	Confident	35 Å²	35	54.7 Å²	54.7	23%	0.227	29%	0.294	C	S	.	.			trans	-56.1	140.6	161.6	-18.2	29.9	0	0	0	111.1	Y152 F671 L686	P149-Y152 VanDerWaalsContact O-CE2 3.23Å; P149-Y152 WeakPolarHBondContact O-CE2 3.49Å; P149-F671 HydrophobicContact CB-CB 4.38Å; P149-F671 HydrophobicContact CB-CD2 3.24Å; P149-F671 HydrophobicContact CB-CE2 3.6Å; P149-F671 HydrophobicContact CB-CG 3.83Å; P149-F671 HydrophobicContact CB-CZ 4.41Å; P149-F671 HydrophobicContact CG-CB 4.45Å; P149-F671 HydrophobicContact CG-CD2 3.97Å; P149-F671 HydrophobicContact CG-CE2 4.42Å; P149-F671 HydrophobicContact CG-CG 4.06Å; P149-L686 WeakPolarHBondContact O-CD1 3.42Å
150	S	87.8	Confident	84.5	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	28%	0.276	S	S	.	.	S	Bend	trans	-79.6	-25.6	-175.4	-78.9	0	0	0	0	114.5	N685 L686 N687	S150-N685 CarbonylContact O-C 3.46Å; S150-N685 VanDerWaalsContact O-CA 3.31Å; S150-N685 WeakPolarHBondContact O-CA 3.4Å; S150-L686 PolarHBondContact O-N 2.85Å; S150-N687 WeakPolarHBondContact CB-ND2 3.2Å; S150-N687 PolarHBondContact OG-ND2 3.29Å
151	F	89.9	Confident	83.4	Confident	33 Å²	33	52.4 Å²	52.4	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.8	-165.1	-57.5	-71.6	0	0	0	112.4	F671 V672 D674 F677 I684 N685	F151-F671 WeakPolarHBondContact O-CD2 3.46Å; F151-V672 HydrophobicContact CB-CG2 4.16Å; F151-V672 PolarHBondContact O-N 2.91Å; F151-D674 HydrophobicContact CD2-CB 4.49Å; F151-D674 HydrophobicContact CE2-CB 4.32Å; F151-F677 HydrophobicContact CB-CD2 3.79Å; F151-F677 HydrophobicContact CB-CE2 4.26Å; F151-F677 HydrophobicContact CB-CG 4.46Å; F151-F677 HydrophobicContact CD1-CB 4.32Å; F151-F677 AromaticContact CD1-CD1 3.96Å; F151-F677 HydrophobicContact CD1-CD1 3.96Å; F151-F677 AromaticContact CD1-CD2 3.45Å; F151-F677 HydrophobicContact CD1-CD2 3.45Å; F151-F677 VanDerWaalsContact CD1-CD2 3.45Å; F151-F677 HydrophobicContact CD1-CE1 4.12Å; F151-F677 AromaticContact CD1-CE2 3.6Å; F151-F677 HydrophobicContact CD1-CE2 3.6Å; F151-F677 AromaticContact CD1-CG 3.63Å; F151-F677 HydrophobicContact CD1-CG 3.63Å; F151-F677 AromaticContact CD1-CZ 3.95Å; F151-F677 HydrophobicContact CD1-CZ 3.95Å; F151-F677 HydrophobicContact CE1-CD1 4.01Å; F151-F677 HydrophobicContact CE1-CD2 4.31Å; F151-F677 HydrophobicContact CE1-CE1 4.18Å; F151-F677 HydrophobicContact CE1-CE2 4.44Å; F151-F677 HydrophobicContact CE1-CG 4.09Å; F151-F677 HydrophobicContact CE1-CZ 4.39Å; F151-F677 HydrophobicContact CG-CB 4.48Å; F151-F677 AromaticContact CG-CD2 3.91Å; F151-F677 HydrophobicContact CG-CD2 3.91Å; F151-F677 HydrophobicContact CG-CE2 4.36Å; F151-F677 HydrophobicContact CG-CG 4.18Å; F151-I684 WeakPolarHBondContact CA-O 3.44Å; F151-N685 HydrophobicContact CD1-CB 4.11Å; F151-N685 HydrophobicContact CE1-CB 4.18Å; F151-N685 WeakPolarHBondContact CE1-ND2 3.31Å
152	Y	91.4	Very high	82	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.3	177.9	-61.6	-105.5	0	0	0	110.9	P149 L654 Q670 F671 Q683 I684 L686	P149-Y152 VanDerWaalsContact O-CE2 3.23Å; P149-Y152 WeakPolarHBondContact O-CE2 3.49Å; Y152-L654 HydrophobicContact CD1-CB 3.85Å; Y152-L654 HydrophobicContact CD2-CD2 4.32Å; Y152-L654 HydrophobicContact CE1-CB 4.03Å; Y152-L654 HydrophobicContact CG-CB 4.2Å; Y152-L654 HydrophobicContact CG-CD2 4.42Å; Y152-Q670 CarbonylContact C-O 3.48Å; Y152-Q670 VanDerWaalsContact CA-O 3.22Å; Y152-Q670 WeakPolarHBondContact CA-O 3.38Å; Y152-F671 HydrophobicContact CD1-CB 4.25Å; Y152-F671 HydrophobicContact CE1-CB 4.14Å; Y152-Q683 CarbonylContact O-C 3.6Å; Y152-Q683 WeakPolarHBondContact O-CA 3.41Å; Y152-I684 PolarHBondContact N-O 3.36Å; Y152-I684 PolarHBondContact O-N 3.47Å; Y152-L686 HydrophobicContact CD2-CD2 4.49Å; Y152-L686 HydrophobicContact CD2-CG 4.3Å; Y152-L686 HydrophobicContact CE2-CD1 3.79Å; Y152-L686 HydrophobicContact CE2-CD2 4.27Å; Y152-L686 HydrophobicContact CE2-CG 3.87Å
153	K	89.5	Confident	80.3	Confident	79 Å²	79	54 Å²	54	34%	0.343	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.3	176.2	-175.2	164.3	-173.7	141.4	0	110.2	S155 Y669 Q670 V672 D680 Q683	K153-S155 PolarHBondContact O-N 2.92Å; K153-S155 VanDerWaalsContact O-N 3.13Å; K153-Y669 CarbonylContact O-C 3.54Å; K153-Y669 VanDerWaalsContact O-CA 3.24Å; K153-Y669 WeakPolarHBondContact O-CA 3.2Å; K153-Q670 PolarHBondContact N-O 3.02Å; K153-Q670 PolarHBondContact O-N 3.19Å; K153-V672 HydrophobicContact CB-CB 4.48Å; K153-V672 HydrophobicContact CB-CG1 3.57Å; K153-V672 HydrophobicContact CB-CG2 4.07Å; K153-D680 IonicContact NZ-OD2 2.76Å; K153-D680 PolarHBondContact NZ-OD2 3.03Å; K153-Q683 HydrophobicContact CD-CG 4.47Å; K153-Q683 HydrophobicContact CG-CG 4.22Å; K153-Q683 VanDerWaalsContact NZ-NE2 3.13Å
154	L	88.9	Confident	78.8	Confident	53 Å²	53	56.8 Å²	56.8	28%	0.277	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	118.4	178.6	-174.8	66.4	0	0	0	109.5	G156 D667 Y669 H682	L154-G156 WeakPolarHBondContact CD1-O 3.45Å; L154-D667 HydrophobicContact CD1-CB 4.02Å; L154-Y669 HydrophobicContact CB-CD1 3.98Å; L154-Y669 HydrophobicContact CB-CE1 3.86Å; L154-Y669 HydrophobicContact CD1-CD1 4.47Å; L154-Y669 HydrophobicContact CD1-CD2 4.07Å; L154-Y669 HydrophobicContact CD1-CE1 4.26Å; L154-Y669 HydrophobicContact CD1-CE2 3.82Å; L154-Y669 HydrophobicContact CD1-CG 4.37Å; L154-Y669 VanDerWaalsContact N-CD1 3.26Å; L154-H682 HydrophobicContact CB-CB 4.03Å; L154-H682 HydrophobicContact CD2-CB 4.48Å; L154-H682 PolarHBondContact N-O 3.5Å
155	S	86.9	Confident	77.4	Confident	64 Å²	64	57.9 Å²	57.9	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-34.4	-178.8	-173.2	0	0	0	0	110.7	K153 I668 Q670	K153-S155 PolarHBondContact O-N 2.92Å; K153-S155 VanDerWaalsContact O-N 3.13Å; S155-I668 PolarHBondContact N-O 3.35Å; S155-Q670 PolarHBondContact OG-OE1 2.98Å
156	G	84.7	Confident	76	Confident	31 Å²	31	62.9 Å²	62.9	32%	0.32	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-175.8	170.7	0	0	0	0	0	113.6	L154 I668	L154-G156 WeakPolarHBondContact CD1-O 3.45Å; G156-I668 PolarHBondContact N-O 3Å; G156-I668 VanDerWaalsContact N-O 3.13Å; G156-I668 PolarHBondContact O-N 2.04Å
157	T	82.1	Confident	75.3	Confident	95 Å²	95	57.9 Å²	57.9	58%	0.583	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.2	170.2	72.5	0	0	0	0	108.5	F666 D667	T157-F666 CarbonylContact C-O 3.5Å; T157-F666 WeakPolarHBondContact CA-O 3.28Å; T157-D667 WeakPolarHBondContact CG2-OD1 3.43Å
158	T	76.4	Confident	74.9	Confident	18 Å²	18	56.4 Å²	56.4	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.3	-175.9	-150	0	0	0	0	109.8	L641 Q644 S665 F666 I668	T158-L641 HydrophobicContact CG2-CD1 3.95Å; T158-Q644 WeakPolarHBondContact OG1-CB 3.33Å; T158-Q644 PolarHBondContact OG1-OE1 3.38Å; T158-S665 WeakPolarHBondContact O-CA 3.47Å; T158-F666 HydrophobicContact CG2-CB 4.26Å; T158-F666 PolarHBondContact N-O 3.16Å; T158-F666 PolarHBondContact O-N 3.43Å; T158-I668 HydrophobicContact CG2-CD1 3.71Å; T158-I668 HydrophobicContact CG2-CG1 4.25Å
159	K	71.7	Confident	74.6	Confident	101 Å²	101	56 Å²	56	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.4	176.7	-70.8	-168.6	170.3	-165.5	0	109.2	V161 Q644 D663 N664	K159-V161 VanDerWaalsContact C-N 3.25Å; K159-V161 PolarHBondContact O-N 2.77Å; K159-Q644 VanDerWaalsContact O-CD 3.27Å; K159-Q644 PolarHBondContact O-NE2 3.24Å; K159-Q644 PolarHBondContact O-OE1 3.49Å; K159-D663 WeakPolarHBondContact CE-OD2 3.29Å; K159-D663 IonicContact NZ-OD2 3.74Å; K159-D663 PolarHBondContact NZ-OD2 2.99Å; K159-N664 WeakPolarHBondContact CA-O 3.31Å
160	S	63.4	Low	74.3	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.063	33%	0.326	C	S	.	.			trans	-63.1	91.5	169.6	174.2	0	0	0	0	109.4	T162 R637 N664	S160-T162 PolarHBondContact O-N 3.44Å; S160-R637 VanDerWaalsContact OG-CA 3.25Å; S160-R637 WeakPolarHBondContact OG-CA 3.34Å; S160-R637 VanDerWaalsContact OG-CB 3.31Å; S160-R637 WeakPolarHBondContact OG-CB 3.23Å; S160-R637 PolarHBondContact OG-O 3.36Å; S160-N664 PolarHBondContact N-O 3.12Å
161	V	60.4	Low	74.1	Confident	78 Å²	78	57.2 Å²	57.2	47%	0.473	32%	0.321	S	S	.	.			trans	-72.7	118	174.2	175	0	0	0	0	106.3	K159 N163 G640	K159-V161 VanDerWaalsContact C-N 3.25Å; K159-V161 PolarHBondContact O-N 2.77Å; V161-N163 VanDerWaalsContact C-N 3.32Å; V161-N163 PolarHBondContact O-N 3.26Å; V161-G640 WeakPolarHBondContact O-CA 3.48Å
162	T	57.4	Low	73.5	Confident	43 Å²	43	58.3 Å²	58.3	26%	0.264	33%	0.328	S	S	.	.			trans	-64.4	94.3	170	44.3	0	0	0	0	109.2	S160 F164 R637	S160-T162 PolarHBondContact O-N 3.44Å; T162-F164 VanDerWaalsContact C-N 3.3Å; T162-F164 WeakPolarHBondContact O-CD2 3.16Å; T162-F164 PolarHBondContact O-N 3.49Å; T162-F164 WeakPolarHBondContact OG1-CE2 3.49Å; T162-F164 VanDerWaalsContact OG1-CZ 3.3Å; T162-F164 WeakPolarHBondContact OG1-CZ 3.29Å; T162-R637 HydrophobicContact CG2-CG 3.73Å
163	N	52.5	Low	72.7	Confident	61 Å²	61	61.3 Å²	61.3	33%	0.326	34%	0.342	S	S	.	.			trans	-63.6	95.4	164.4	-87.5	-24	0	0	0	107.5	V161 S165 D643	V161-N163 VanDerWaalsContact C-N 3.32Å; V161-N163 PolarHBondContact O-N 3.26Å; N163-S165 PolarHBondContact O-N 2.89Å; N163-S165 VanDerWaalsContact O-N 3.12Å; N163-D643 PolarHBondContact ND2-OD2 3.12Å; N163-D643 VanDerWaalsContact ND2-OD2 3.08Å
164	F	52.4	Low	71.8	Confident	169 Å²	169	59.5 Å²	59.5	74%	0.741	33%	0.334	S	S	*	.			trans	-72.1	8.8	178.3	-69.8	-72.5	0	0	0	113.6	T162	T162-F164 VanDerWaalsContact C-N 3.3Å; T162-F164 WeakPolarHBondContact O-CD2 3.16Å; T162-F164 PolarHBondContact O-N 3.49Å; T162-F164 WeakPolarHBondContact OG1-CE2 3.49Å; T162-F164 VanDerWaalsContact OG1-CZ 3.3Å; T162-F164 WeakPolarHBondContact OG1-CZ 3.29Å
165	S	53.3	Low	70.7	Confident	69 Å²	69	58.5 Å²	58.5	48%	0.483	33%	0.329	S	S	.	.	S	Bend	trans	-66.3	166.5	166.8	50	0	0	0	0	111	N163 V167	N163-S165 PolarHBondContact O-N 2.89Å; N163-S165 VanDerWaalsContact O-N 3.12Å; S165-V167 PolarHBondContact O-N 3.15Å
166	T	60.2	Low	69.6	Low	108 Å²	108	56.5 Å²	56.5	66%	0.663	31%	0.312	S	S	*	.			trans	-75.7	58.3	-175.1	54.4	0	0	0	0	112.6	T168	T166-T168 PolarHBondContact O-N 3.22Å
167	V	71.1	Confident	68.2	Low	12 Å²	12	60.5 Å²	60.5	7%	0.073	32%	0.318	C	S	.	.			trans	-78.4	84.4	-179.7	-170.7	0	0	0	0	109.9	S165 L502 Q632 V635	S165-V167 PolarHBondContact O-N 3.15Å; V167-L502 HydrophobicContact CG1-CD1 3.75Å; V167-L502 HydrophobicContact CG1-CG 4.14Å; V167-Q632 PolarHBondContact O-NE2 2.98Å; V167-V635 WeakPolarHBondContact O-CG1 3.37Å
168	T	77.6	Confident	66.8	Low	59 Å²	59	59 Å²	59	36%	0.362	31%	0.306	S	S	.	.			trans	-73.7	143.3	173.9	51.6	0	0	0	0	111.2	T166	T166-T168 PolarHBondContact O-N 3.22Å
169	F	81.7	Confident	65.3	Low	16 Å²	16	66.6 Å²	66.6	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.4	167.3	-159.5	-71.9	0	0	0	107.2	L500 K501 L502 L507 W588 F592 V635 L638	F169-L500 HydrophobicContact CE1-CB 3.71Å; F169-L500 HydrophobicContact CE1-CD1 3.7Å; F169-L500 HydrophobicContact CE1-CD2 4.21Å; F169-L500 HydrophobicContact CE1-CG 4.07Å; F169-L500 HydrophobicContact CZ-CB 3.98Å; F169-L500 HydrophobicContact CZ-CD1 3.69Å; F169-L500 HydrophobicContact CZ-CG 4.39Å; F169-K501 CarbonylContact C-O 3.5Å; F169-K501 WeakPolarHBondContact CA-O 3.24Å; F169-L502 HydrophobicContact CD2-CD1 3.93Å; F169-L507 HydrophobicContact CE2-CD2 4.1Å; F169-L507 HydrophobicContact CZ-CD2 4.34Å; F169-W588 HydrophobicContact CB-CH2 4.32Å; F169-W588 HydrophobicContact CG-CH2 4.5Å; F169-F592 AromaticContact CD1-CD1 3.77Å; F169-F592 HydrophobicContact CD1-CD1 3.77Å; F169-F592 AromaticContact CD1-CE1 3.37Å; F169-F592 HydrophobicContact CD1-CE1 3.37Å; F169-F592 AromaticContact CD1-CZ 3.9Å; F169-F592 HydrophobicContact CD1-CZ 3.9Å; F169-F592 AromaticContact CE1-CD1 3.7Å; F169-F592 HydrophobicContact CE1-CD1 3.7Å; F169-F592 AromaticContact CE1-CE1 3.62Å; F169-F592 HydrophobicContact CE1-CE1 3.62Å; F169-F592 WeakPolarHBondContact O-CZ 3.45Å; F169-V635 HydrophobicContact CB-CG1 3.91Å; F169-V635 HydrophobicContact CB-CG2 3.96Å; F169-V635 HydrophobicContact CD2-CG1 4.36Å; F169-V635 HydrophobicContact CD2-CG2 4.29Å; F169-V635 HydrophobicContact CG-CG2 4.5Å; F169-L638 HydrophobicContact CE2-CD2 4.42Å
170	T	82.3	Confident	64.1	Low	62 Å²	62	64 Å²	64	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.6	-172.3	-47.6	0	0	0	0	111.1	L500 K501	T170-L500 CarbonylContact O-C 3.52Å; T170-L500 WeakPolarHBondContact O-CA 3.25Å; T170-K501 PolarHBondContact N-O 2.72Å; T170-K501 PolarHBondContact O-N 3.33Å
171	F	81.8	Confident	63.3	Low	39 Å²	39	67.6 Å²	67.6	17%	0.171	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.3	171.8	-165.6	-88.7	0	0	0	109.8	E173 F174 L500 F592 N595	F171-E173 VanDerWaalsContact CZ-C 3.43Å; F171-E173 VanDerWaalsContact CZ-O 3.27Å; F171-E173 WeakPolarHBondContact CZ-O 3.36Å; F171-F174 HydrophobicContact CE1-CB 4.17Å; F171-F174 HydrophobicContact CZ-CB 3.78Å; F171-L500 HydrophobicContact CD2-CD2 3.42Å; F171-L500 VanDerWaalsContact CD2-CD2 3.42Å; F171-L500 HydrophobicContact CE2-CD2 3.69Å; F171-L500 HydrophobicContact CG-CD2 4.32Å; F171-F592 HydrophobicContact CB-CE1 3.8Å; F171-F592 HydrophobicContact CB-CZ 3.95Å; F171-F592 HydrophobicContact CD2-CD1 4.36Å; F171-F592 HydrophobicContact CD2-CE1 4.2Å; F171-F592 VanDerWaalsContact CD2-O 3.25Å; F171-F592 WeakPolarHBondContact CD2-O 3.01Å; F171-N595 HydrophobicContact CD1-CB 4.39Å; F171-N595 HydrophobicContact CE1-CB 3.91Å; F171-N595 HydrophobicContact CE2-CB 4.11Å; F171-N595 HydrophobicContact CZ-CB 3.79Å
172	I	77.5	Confident	62.7	Low	57 Å²	57	64.1 Å²	64.1	29%	0.292	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-61.1	177.9	-49.7	176.2	0	0	0	110.3	S499 K501	I172-S499 WeakPolarHBondContact CA-O 3.34Å; I172-S499 VanDerWaalsContact CB-O 3.27Å; I172-S499 WeakPolarHBondContact CB-O 3.5Å; I172-S499 PolarHBondContact N-O 3.47Å; I172-K501 HydrophobicContact CD1-CB 3.86Å; I172-K501 HydrophobicContact CD1-CG 4.25Å; I172-K501 HydrophobicContact CG1-CB 4.07Å
173	E	75.1	Confident	62.2	Low	64 Å²	64	68.4 Å²	68.4	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.7	-170.7	-170.6	178.3	-157	0	0	112	F171 L175 S498 S499	F171-E173 VanDerWaalsContact CZ-C 3.43Å; F171-E173 VanDerWaalsContact CZ-O 3.27Å; F171-E173 WeakPolarHBondContact CZ-O 3.36Å; E173-L175 HydrophobicContact CG-CD2 4.31Å; E173-L175 HydrophobicContact CG-CG 4.19Å; E173-L175 WeakPolarHBondContact OE1-CD2 3.31Å; E173-S498 CarbonylContact O-C 3.57Å; E173-S498 VanDerWaalsContact O-CA 3.27Å; E173-S498 WeakPolarHBondContact O-CA 3.35Å; E173-S499 PolarHBondContact N-O 2.76Å; E173-S499 PolarHBondContact O-N 2.81Å
174	F	70.3	Confident	62	Low	41 Å²	41	67.5 Å²	67.5	18%	0.18	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120	169.6	-179.2	-92.4	0	0	0	109.5	F171 Q176 F511 T514 W516	F171-F174 HydrophobicContact CE1-CB 4.17Å; F171-F174 HydrophobicContact CZ-CB 3.78Å; F174-Q176 HydrophobicContact CD1-CB 4.44Å; F174-Q176 HydrophobicContact CE1-CB 3.52Å; F174-Q176 HydrophobicContact CZ-CB 3.99Å; F174-F511 HydrophobicContact CD2-CZ 4.14Å; F174-F511 HydrophobicContact CE2-CE2 4.01Å; F174-F511 AromaticContact CE2-CZ 3.7Å; F174-F511 HydrophobicContact CE2-CZ 3.7Å; F174-T514 HydrophobicContact CE2-CG2 4.19Å; F174-T514 HydrophobicContact CZ-CG2 3.87Å; F174-W516 HydrophobicContact CE1-CH2 4.19Å; F174-W516 AromaticContact CE1-CZ2 3.65Å; F174-W516 HydrophobicContact CE1-CZ2 3.65Å; F174-W516 AromaticContact CZ-CZ2 3.82Å; F174-W516 HydrophobicContact CZ-CZ2 3.82Å
175	L	65.7	Low	61.7	Low	32 Å²	32	60 Å²	60	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.3	173.7	-71.2	-173.3	0	0	0	111.4	E173 V212 Q215 I216 Y497	E173-L175 HydrophobicContact CG-CD2 4.31Å; E173-L175 HydrophobicContact CG-CG 4.19Å; E173-L175 WeakPolarHBondContact OE1-CD2 3.31Å; L175-V212 HydrophobicContact CD1-CG1 4.47Å; L175-Q215 HydrophobicContact CD1-CB 3.68Å; L175-I216 HydrophobicContact CD1-CD1 3.88Å; L175-I216 HydrophobicContact CD1-CG1 3.56Å; L175-I216 HydrophobicContact CG-CD1 4.44Å; L175-I216 HydrophobicContact CG-CG1 4.35Å; L175-Y497 PolarHBondContact N-O 2.84Å; L175-Y497 PolarHBondContact O-N 2.96Å
176	Q	64.7	Low	61.3	Low	22 Å²	22	58.9 Å²	58.9	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.3	171.8	176.5	176.1	15	0	0	109.9	F174 N178	F174-Q176 HydrophobicContact CD1-CB 4.44Å; F174-Q176 HydrophobicContact CE1-CB 3.52Å; F174-Q176 HydrophobicContact CZ-CB 3.99Å; Q176-N178 VanDerWaalsContact CD-O 3.31Å; Q176-N178 VanDerWaalsContact CG-O 3.25Å; Q176-N178 WeakPolarHBondContact CG-O 3.49Å; Q176-N178 PolarHBondContact NE2-O 2.88Å
177	R	55.6	Low	60.5	Low	116 Å²	116	55.8 Å²	55.8	44%	0.438	27%	0.27	S	S	.	.	S	Bend	trans	-76.6	-30.3	-177.6	-71.9	-174.7	145.2	-137.2	-20.2	114.1	P209 S211 Y497	R177-P209 VanDerWaalsContact CZ-CB 3.43Å; R177-S211 PolarHBondContact NH2-OG 2.94Å; R177-Y497 HydrophobicContact CG-CE2 4.24Å
178	N	51.2	Low	59.4	Low	63 Å²	63	60 Å²	60	34%	0.337	29%	0.289	S	S	.	.	S	Bend	trans	-144	121.3	-179.7	-66.7	-56.2	0	0	0	109.3	Q176 F180	Q176-N178 VanDerWaalsContact CD-O 3.31Å; Q176-N178 VanDerWaalsContact CG-O 3.25Å; Q176-N178 WeakPolarHBondContact CG-O 3.49Å; Q176-N178 PolarHBondContact NE2-O 2.88Å; N178-F180 HydrophobicContact CB-CD2 3.8Å; N178-F180 HydrophobicContact CB-CE2 3.37Å; N178-F180 HydrophobicContact CB-CZ 4.25Å; N178-F180 PolarHBondContact O-N 3Å
179	Y	45	Very low	58.4	Low	177 Å²	177	58.6 Å²	58.6	69%	0.694	28%	0.279	S	S	*	.			trans	-74.2	101.6	173.1	-69.5	-81.5	0	0	0	110.5
180	F	47.3	Very low	57.1	Low	48 Å²	48	58.4 Å²	58.4	21%	0.211	28%	0.278	C	S	.	.			trans	-103.8	122.7	167.3	-70.8	-79.2	0	0	0	109	N178 Y182 A494 W516	N178-F180 HydrophobicContact CB-CD2 3.8Å; N178-F180 HydrophobicContact CB-CE2 3.37Å; N178-F180 HydrophobicContact CB-CZ 4.25Å; N178-F180 PolarHBondContact O-N 3Å; F180-Y182 HydrophobicContact CB-CD1 4.39Å; F180-Y182 HydrophobicContact CB-CD2 4.32Å; F180-Y182 HydrophobicContact CB-CE1 3.85Å; F180-Y182 HydrophobicContact CB-CE2 3.79Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 WeakPolarHBondContact O-CE2 3.42Å; F180-Y182 PolarHBondContact O-N 3.06Å; F180-A494 HydrophobicContact CD2-CB 3.47Å; F180-A494 VanDerWaalsContact CD2-CB 3.47Å; F180-A494 HydrophobicContact CE2-CB 3.63Å; F180-W516 VanDerWaalsContact O-CD1 3.3Å
181	I	46	Very low	56.1	Low	84 Å²	84	57.8 Å²	57.8	43%	0.431	28%	0.276	S	S	.	.			trans	-86.5	92.9	173.3	-58.6	-179.2	0	0	0	107.6	K183 N518	I181-K183 PolarHBondContact O-N 2.92Å; I181-N518 HydrophobicContact CG2-CB 4.3Å
182	Y	48.6	Very low	54.9	Low	4 Å²	4	57.2 Å²	57.2	2%	0.016	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-74.4	122.8	179	-55.1	-81	0	0	0	110.8	F180 C292 F293 A494 T514 I515	F180-Y182 HydrophobicContact CB-CD1 4.39Å; F180-Y182 HydrophobicContact CB-CD2 4.32Å; F180-Y182 HydrophobicContact CB-CE1 3.85Å; F180-Y182 HydrophobicContact CB-CE2 3.79Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 WeakPolarHBondContact O-CE2 3.42Å; F180-Y182 PolarHBondContact O-N 3.06Å; Y182-C292 HydrophobicContact CD1-CB 3.77Å; Y182-C292 HydrophobicContact CE1-CB 4.48Å; Y182-C292 HydrophobicContact CG-CB 4.35Å; Y182-F293 AromaticContact CE1-CD1 3.82Å; Y182-F293 HydrophobicContact CE1-CD1 3.82Å; Y182-F293 AromaticContact CE1-CE1 3.57Å; Y182-F293 HydrophobicContact CE1-CE1 3.57Å; Y182-F293 HydrophobicContact CE1-CG 4.49Å; Y182-F293 HydrophobicContact CE1-CZ 4.03Å; Y182-F293 AromaticContact CZ-CE1 3.8Å; Y182-F293 WeakPolarHBondContact OH-CE1 3.5Å; Y182-F293 WeakPolarHBondContact OH-CZ 3.41Å; Y182-A494 WeakPolarHBondContact OH-CB 3.21Å; Y182-T514 WeakPolarHBondContact CD2-O 3.48Å; Y182-T514 WeakPolarHBondContact CE2-O 3.17Å; Y182-I515 HydrophobicContact CD2-CG1 4.4Å; Y182-I515 HydrophobicContact CG-CG1 4.32Å
183	K	45.8	Very low	54	Low	133 Å²	133	61.1 Å²	61.1	58%	0.578	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-72.9	132.9	161.9	-66.2	171	-171.4	157.7	0	107.8	I181	I181-K183 PolarHBondContact O-N 2.92Å
184	V	48.6	Very low	53.7	Low	43 Å²	43	60.9 Å²	60.9	26%	0.261	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.8	127.9	167.9	179.3	0	0	0	0	107.7	I515 W537 L600	V184-I515 HydrophobicContact CG2-CG2 4.08Å; V184-W537 HydrophobicContact CG2-CH2 4.22Å; V184-L600 HydrophobicContact CG1-CD2 4.15Å; V184-L600 HydrophobicContact CG2-CD2 4.02Å
185	P	46.4	Very low	53.8	Low	12 Å²	12	66.1 Å²	66.1	8%	0.078	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.3	146.9	-178.3	24.4	-33.8	0	0	0	111.4	M189 F190 L291	P185-M189 HydrophobicContact CB-CB 4.13Å; P185-M189 HydrophobicContact CB-CG 4.22Å; P185-M189 HydrophobicContact CB-SD 3.42Å; P185-M189 WeakPolarHBondContact CB-SD 3.31Å; P185-F190 HydrophobicContact CB-CE2 4.33Å; P185-F190 HydrophobicContact CG-CE2 3.9Å; P185-F190 HydrophobicContact CG-CZ 3.92Å; P185-L291 HydrophobicContact CB-CB 3.86Å; P185-L291 HydrophobicContact CB-CD1 4.19Å; P185-L291 HydrophobicContact CG-CB 4.14Å; P185-L291 HydrophobicContact CG-CD1 4.4Å
186	S	45.7	Very low	54	Low	44 Å²	44	64.9 Å²	64.9	31%	0.308	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-70.7	160.6	178.4	72.6	0	0	0	0	111.6	E188 M189 N382	S186-E188 PolarHBondContact O-N 3.21Å; S186-M189 VanDerWaalsContact O-CB 3.31Å; S186-M189 WeakPolarHBondContact O-CB 3.2Å; S186-M189 PolarHBondContact O-N 2.83Å; S186-M189 WeakPolarHBondContact OG-CG 3.14Å; S186-N382 WeakPolarHBondContact CB-OD1 3.14Å
187	I	43	Very low	54.3	Low	44 Å²	44	66.6 Å²	66.6	23%	0.226	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.5	-41	-175.7	-58.6	165.4	0	0	0	110.5	M189 F190 N382 F383 C384 I611	I187-M189 PolarHBondContact O-N 3.02Å; I187-M189 VanDerWaalsContact O-N 3.12Å; I187-F190 PolarHBondContact O-N 3.22Å; I187-F190 VanDerWaalsContact O-N 3.1Å; I187-N382 PolarHBondContact N-OD1 3.35Å; I187-N382 VanDerWaalsContact N-OD1 3.15Å; I187-F383 VanDerWaalsContact CD1-O 3.28Å; I187-F383 WeakPolarHBondContact CD1-O 3.46Å; I187-C384 HydrophobicContact CD1-CB 3.95Å; I187-I611 HydrophobicContact CB-CD1 4.42Å; I187-I611 HydrophobicContact CG1-CD1 4.14Å; I187-I611 HydrophobicContact CG2-CB 4.07Å; I187-I611 HydrophobicContact CG2-CD1 4.31Å; I187-I611 HydrophobicContact CG2-CG1 4.27Å
188	E	48.7	Very low	54.6	Low	101 Å²	101	62.6 Å²	62.6	47%	0.472	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.8	-16	178.5	-63.3	163.4	153.6	0	0	113.8	S186 F190 V380 N382	S186-E188 PolarHBondContact O-N 3.21Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-V380 VanDerWaalsContact OE1-CG1 3.24Å; E188-V380 WeakPolarHBondContact OE1-CG1 3.3Å; E188-N382 VanDerWaalsContact CD-ND2 3.34Å; E188-N382 PolarHBondContact OE2-ND2 2.87Å
189	M	55.4	Low	55.1	Low	28 Å²	28	62.3 Å²	62.3	14%	0.138	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-76.6	-19.3	176.1	-56.2	-167.4	88.9	0	0	113.1	P185 S186 I187 S191 K194 L291 H295	P185-M189 HydrophobicContact CB-CB 4.13Å; P185-M189 HydrophobicContact CB-CG 4.22Å; P185-M189 HydrophobicContact CB-SD 3.42Å; P185-M189 WeakPolarHBondContact CB-SD 3.31Å; S186-M189 VanDerWaalsContact O-CB 3.31Å; S186-M189 WeakPolarHBondContact O-CB 3.2Å; S186-M189 PolarHBondContact O-N 2.83Å; S186-M189 WeakPolarHBondContact OG-CG 3.14Å; I187-M189 PolarHBondContact O-N 3.02Å; I187-M189 VanDerWaalsContact O-N 3.12Å; M189-S191 PolarHBondContact O-N 2.98Å; M189-K194 WeakPolarHBondContact O-CD 3.23Å; M189-K194 VanDerWaalsContact O-CE 3.26Å; M189-K194 WeakPolarHBondContact O-CE 3.2Å; M189-K194 PolarHBondContact O-NZ 3.39Å; M189-L291 HydrophobicContact CB-CD1 3.72Å; M189-L291 HydrophobicContact CB-CD2 4.17Å; M189-L291 HydrophobicContact CB-CG 4.46Å; M189-L291 HydrophobicContact CE-CB 4.49Å; M189-L291 HydrophobicContact CE-CD2 4.02Å; M189-H295 VanDerWaalsContact CE-CD2 3.5Å; M189-H295 WeakPolarHBondContact CE-CD2 3.44Å; M189-H295 VanDerWaalsContact CE-NE2 3.33Å; M189-H295 WeakPolarHBondContact CE-NE2 3.45Å
190	F	55.5	Low	55.9	Low	12 Å²	12	55.9 Å²	55.9	5%	0.053	29%	0.291	C	S	.	.			trans	-86.6	98.8	175.9	-65.9	-91.2	0	0	0	109.8	P185 I187 E188 Y284 L287 V288 L291 G609 I611	P185-F190 HydrophobicContact CB-CE2 4.33Å; P185-F190 HydrophobicContact CG-CE2 3.9Å; P185-F190 HydrophobicContact CG-CZ 3.92Å; I187-F190 PolarHBondContact O-N 3.22Å; I187-F190 VanDerWaalsContact O-N 3.1Å; E188-F190 VanDerWaalsContact C-N 3.32Å; F190-Y284 HydrophobicContact CD1-CD1 4.1Å; F190-L287 HydrophobicContact CD1-CD2 4.06Å; F190-V288 HydrophobicContact CE1-CG2 3.84Å; F190-V288 HydrophobicContact CZ-CG2 3.82Å; F190-L291 HydrophobicContact CE1-CD1 4.44Å; F190-L291 HydrophobicContact CZ-CD1 4.42Å; F190-G609 WeakPolarHBondContact CB-O 3.31Å; F190-I611 HydrophobicContact CD2-CD1 3.83Å; F190-I611 HydrophobicContact CD2-CG1 4.47Å; F190-I611 HydrophobicContact CE2-CD1 3.94Å
191	S	61.1	Low	56.6	Low	49 Å²	49	54.5 Å²	54.5	34%	0.343	28%	0.284	S	S	.	.			trans	-128.3	137.8	179	171.6	0	0	0	0	110.1	M189 N193 K194	M189-S191 PolarHBondContact O-N 2.98Å; S191-N193 PolarHBondContact O-N 2.91Å; S191-N193 PolarHBondContact OG-N 2.62Å; S191-K194 PolarHBondContact O-N 2.88Å
192	V	55.9	Low	57.2	Low	27 Å²	27	52.5 Å²	52.5	16%	0.164	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-42.7	175.2	177.9	0	0	0	0	111.7	P126 N129 K194 N607 S608	P126-V192 HydrophobicContact CB-CG1 4.1Å; P126-V192 HydrophobicContact CG-CG1 3.74Å; P126-V192 HydrophobicContact CG-CG2 4.49Å; N129-V192 PolarHBondContact ND2-O 3.39Å; N129-V192 PolarHBondContact OD1-O 2.88Å; V192-K194 PolarHBondContact O-N 3.43Å; V192-N607 VanDerWaalsContact CG2-O 3.26Å; V192-N607 WeakPolarHBondContact CG2-O 3.26Å; V192-S608 VanDerWaalsContact CG2-CA 3.42Å
193	N	58.1	Low	57.5	Low	139 Å²	139	53.8 Å²	53.8	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	5.1	-169.4	-60.7	-6.1	0	0	0	113.1	S191 Q195	S191-N193 PolarHBondContact O-N 2.91Å; S191-N193 PolarHBondContact OG-N 2.62Å; N193-Q195 PolarHBondContact O-N 3.21Å
194	K	69.3	Low	57.8	Low	59 Å²	59	51.4 Å²	51.4	26%	0.257	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-79.4	117.4	174.2	-77.1	-169	177.2	-179.3	0	110.6	M189 S191 V192 L287 L291	M189-K194 WeakPolarHBondContact O-CD 3.23Å; M189-K194 VanDerWaalsContact O-CE 3.26Å; M189-K194 WeakPolarHBondContact O-CE 3.2Å; M189-K194 PolarHBondContact O-NZ 3.39Å; S191-K194 PolarHBondContact O-N 2.88Å; V192-K194 PolarHBondContact O-N 3.43Å; K194-L287 HydrophobicContact CB-CD1 3.88Å; K194-L287 HydrophobicContact CD-CD1 4.2Å; K194-L291 HydrophobicContact CD-CD2 4.09Å
195	Q	72.3	Confident	57.8	Low	152 Å²	152	51.5 Å²	51.5	71%	0.71	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-69	130	167.8	-70.8	-178	-2	0	0	110	N193 D197 Q290	N193-Q195 PolarHBondContact O-N 3.21Å; Q195-D197 PolarHBondContact O-N 3.22Å; Q195-Q290 PolarHBondContact O-NE2 3.5Å; Q195-Q290 PolarHBondContact O-OE1 2.91Å
196	I	70.7	Confident	58	Low	5 Å²	5	55.1 Å²	55.1	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.5	122.3	165.5	-62.3	169.2	0	0	0	108.6	Q132 L136 A198 Y201 F283	Q132-I196 VanDerWaalsContact NE2-N 3.14Å; Q132-I196 PolarHBondContact NE2-O 3.23Å; L136-I196 HydrophobicContact CD1-CB 3.98Å; L136-I196 HydrophobicContact CD1-CG2 3.99Å; I196-A198 PolarHBondContact O-N 3.26Å; I196-Y201 HydrophobicContact CD1-CD2 4.41Å; I196-Y201 HydrophobicContact CG2-CD2 4.16Å; I196-F283 HydrophobicContact CD1-CB 4.47Å; I196-F283 HydrophobicContact CD1-CD2 3.36Å; I196-F283 HydrophobicContact CD1-CE2 3.56Å; I196-F283 HydrophobicContact CD1-CG 3.99Å; I196-F283 HydrophobicContact CD1-CZ 4.33Å; I196-F283 HydrophobicContact CG1-CD2 4.2Å; I196-F283 HydrophobicContact CG1-CE2 3.88Å; I196-F283 HydrophobicContact CG1-CZ 4.32Å
197	D	69.4	Low	58.3	Low	59 Å²	59	58.1 Å²	58.1	32%	0.316	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-69	122.5	165.5	166.4	20.5	0	0	0	109.1	Q195 T199 Y200 Y201	Q195-D197 PolarHBondContact O-N 3.22Å; D197-T199 PolarHBondContact O-N 2.69Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.4Å; D197-T199 PolarHBondContact OD1-N 2.89Å; D197-T199 PolarHBondContact OD2-OG1 3.33Å; D197-Y200 HydrophobicContact CB-CD2 3.88Å; D197-Y200 HydrophobicContact CB-CE2 4.22Å; D197-Y200 PolarHBondContact O-N 3.26Å; D197-Y200 WeakPolarHBondContact OD2-CE2 3.26Å; D197-Y201 PolarHBondContact O-N 2.84Å
198	A	61.9	Low	59.1	Low	32 Å²	32	56.9 Å²	56.9	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-54.4	-25.3	179.3	0	0	0	0	0	113.1	L136 I196 Y200 Y201 F202	L136-A198 HydrophobicContact CD2-CB 3.55Å; I196-A198 PolarHBondContact O-N 3.26Å; A198-Y200 VanDerWaalsContact C-N 3.3Å; A198-Y200 PolarHBondContact O-N 2.8Å; A198-Y201 PolarHBondContact O-N 3.35Å; A198-F202 HydrophobicContact CB-CD2 4.17Å; A198-F202 HydrophobicContact CB-CE2 3.71Å; A198-F202 HydrophobicContact CB-CZ 4.21Å; A198-F202 WeakPolarHBondContact O-CD2 3.34Å; A198-F202 WeakPolarHBondContact O-CG 3.34Å; A198-F202 PolarHBondContact O-N 2.71Å
199	T	62	Low	59.4	Low	57 Å²	57	53 Å²	53	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-31.7	174.2	80.5	0	0	0	0	112.7	D197 K493	D197-T199 PolarHBondContact O-N 2.69Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.4Å; D197-T199 PolarHBondContact OD1-N 2.89Å; D197-T199 PolarHBondContact OD2-OG1 3.33Å; T199-K493 WeakPolarHBondContact O-CE 3.46Å; T199-K493 PolarHBondContact O-NZ 2.72Å
200	Y	61.5	Low	59.3	Low	42 Å²	42	56.4 Å²	56.4	17%	0.165	30%	0.302	C	S	.	.	H	α-helix	trans	-88	-23.6	173.6	-56.6	-69	0	0	0	113.3	D197 A198 Q290 F293	D197-Y200 HydrophobicContact CB-CD2 3.88Å; D197-Y200 HydrophobicContact CB-CE2 4.22Å; D197-Y200 PolarHBondContact O-N 3.26Å; D197-Y200 WeakPolarHBondContact OD2-CE2 3.26Å; A198-Y200 VanDerWaalsContact C-N 3.3Å; A198-Y200 PolarHBondContact O-N 2.8Å; Y200-Q290 HydrophobicContact CD2-CB 3.53Å; Y200-Q290 HydrophobicContact CD2-CG 3.58Å; Y200-Q290 HydrophobicContact CE2-CB 4.14Å; Y200-Q290 HydrophobicContact CE2-CG 3.81Å; Y200-Q290 HydrophobicContact CG-CB 3.9Å; Y200-Q290 HydrophobicContact CG-CG 4.43Å; Y200-F293 HydrophobicContact CD1-CB 4.18Å; Y200-F293 AromaticContact CD1-CD2 3.48Å; Y200-F293 HydrophobicContact CD1-CD2 3.48Å; Y200-F293 VanDerWaalsContact CD1-CD2 3.48Å; Y200-F293 HydrophobicContact CD1-CE2 4.22Å; Y200-F293 HydrophobicContact CD1-CG 4.09Å; Y200-F293 HydrophobicContact CE1-CB 3.31Å; Y200-F293 AromaticContact CE1-CD2 3.43Å; Y200-F293 HydrophobicContact CE1-CD2 3.43Å; Y200-F293 VanDerWaalsContact CE1-CD2 3.43Å; Y200-F293 HydrophobicContact CE1-CE2 4.41Å; Y200-F293 AromaticContact CE1-CG 3.53Å; Y200-F293 HydrophobicContact CE1-CG 3.53Å
201	Y	62.1	Low	59.1	Low	19 Å²	19	58.7 Å²	58.7	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-54.5	172.5	-163.1	-90.7	0	0	0	111.8	L133 L136 Q137 E140 I196 D197 A198 E203 S286	L133-Y201 HydrophobicContact CD1-CE2 3.47Å; L133-Y201 VanDerWaalsContact CD1-CE2 3.47Å; L136-Y201 HydrophobicContact CB-CD1 3.69Å; L136-Y201 HydrophobicContact CB-CD2 4.31Å; L136-Y201 HydrophobicContact CB-CE1 3.96Å; L136-Y201 HydrophobicContact CB-CG 3.88Å; L136-Y201 HydrophobicContact CD1-CD2 3.93Å; L136-Y201 HydrophobicContact CD1-CG 3.87Å; L136-Y201 HydrophobicContact CG-CG 4.32Å; Q137-Y201 HydrophobicContact CG-CE1 4.1Å; Q137-Y201 WeakPolarHBondContact CG-OH 3.41Å; Q137-Y201 PolarHBondContact NE2-OH 3.4Å; E140-Y201 WeakPolarHBondContact OE2-CE1 3.43Å; I196-Y201 HydrophobicContact CD1-CD2 4.41Å; I196-Y201 HydrophobicContact CG2-CD2 4.16Å; D197-Y201 PolarHBondContact O-N 2.84Å; A198-Y201 PolarHBondContact O-N 3.35Å; Y201-E203 PolarHBondContact O-N 3.11Å; Y201-S286 VanDerWaalsContact CD2-OG 3.23Å; Y201-S286 WeakPolarHBondContact CD2-OG 3.45Å; Y201-S286 WeakPolarHBondContact CE2-OG 3.27Å
202	F	58.5	Low	58.9	Low	41 Å²	41	56.4 Å²	56.4	18%	0.18	30%	0.303	C	S	.	.			trans	-67.3	108	-170.3	-63.1	-45	0	0	0	112	L136 K139 E140 A198 K204 K493	L136-F202 HydrophobicContact CD2-CZ 4.42Å; K139-F202 HydrophobicContact CB-CE1 4.21Å; K139-F202 HydrophobicContact CB-CZ 4.01Å; E140-F202 HydrophobicContact CB-CD1 3.69Å; E140-F202 HydrophobicContact CB-CE1 3.74Å; E140-F202 HydrophobicContact CG-CD1 3.95Å; E140-F202 HydrophobicContact CG-CE1 4.48Å; E140-F202 VanDerWaalsContact OE1-CA 3.29Å; E140-F202 WeakPolarHBondContact OE1-CA 3.47Å; A198-F202 HydrophobicContact CB-CD2 4.17Å; A198-F202 HydrophobicContact CB-CE2 3.71Å; A198-F202 HydrophobicContact CB-CZ 4.21Å; A198-F202 WeakPolarHBondContact O-CD2 3.34Å; A198-F202 WeakPolarHBondContact O-CG 3.34Å; A198-F202 PolarHBondContact O-N 2.71Å; F202-K204 HydrophobicContact CB-CG 3.97Å; F202-K204 PolarHBondContact O-N 2.92Å; F202-K493 PolarHBondContact O-NZ 2.89Å
203	E	56.2	Low	59	Low	32 Å²	32	56.7 Å²	56.7	15%	0.15	30%	0.302	C	S	.	.			trans	-78.5	58.2	168.1	-69.7	-166.5	172.9	0	0	109.6	E140 Y201 M205 N229 N267 K289	E140-E203 PolarHBondContact OE1-N 2.65Å; Y201-E203 PolarHBondContact O-N 3.11Å; E203-M205 PolarHBondContact O-N 2.93Å; E203-N229 PolarHBondContact OE1-ND2 3.03Å; E203-N229 PolarHBondContact OE2-ND2 2.95Å; E203-N267 PolarHBondContact O-ND2 3.14Å; E203-K289 IonicContact OE1-NZ 3.09Å; E203-K289 PolarHBondContact OE1-NZ 3.48Å
204	K	50.9	Low	59	Low	82 Å²	82	57.7 Å²	57.7	36%	0.357	30%	0.3	S	S	.	.			trans	-56.9	111	168.2	-61.9	-154.3	177.3	-159.7	0	108	F143 F202 L206 Y495	F143-K204 HydrophobicContact CE1-CD 4.12Å; F143-K204 VanDerWaalsContact CE1-NZ 3.29Å; F202-K204 HydrophobicContact CB-CG 3.97Å; F202-K204 PolarHBondContact O-N 2.92Å; K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 PolarHBondContact O-N 2.73Å; K204-Y495 PolarHBondContact O-OH 3.45Å
205	M	48.9	Very low	58.3	Low	45 Å²	45	60.5 Å²	60.5	22%	0.222	31%	0.314	C	S	.	.			trans	-55.1	98.6	156.2	-88.8	-152.4	175.9	0	0	107.3	E203 F208 T227 F265	E203-M205 PolarHBondContact O-N 2.93Å; M205-F208 HydrophobicContact CE-CE2 3.76Å; M205-F208 HydrophobicContact CE-CZ 4.21Å; M205-F208 HydrophobicContact SD-CE2 3.95Å; M205-T227 HydrophobicContact CE-CG2 3.63Å; M205-T227 HydrophobicContact CG-CG2 3.79Å; M205-F265 WeakPolarHBondContact CE-O 3.11Å
206	L	50.6	Low	57.6	Low	88 Å²	88	53.6 Å²	53.6	46%	0.461	28%	0.281	S	S	.	.			trans	-63.5	132.8	152.7	-64.3	-174	0	0	0	106.3	K204 F208 Y495	K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 PolarHBondContact O-N 2.73Å; L206-F208 PolarHBondContact O-N 3.34Å; L206-Y495 HydrophobicContact CD1-CD2 4.14Å; L206-Y495 HydrophobicContact CD1-CE2 3.53Å; L206-Y495 HydrophobicContact CG-CE2 3.89Å
207	P	53	Low	57	Low	108 Å²	108	56.6 Å²	56.6	70%	0.701	30%	0.295	S	S	*	.			trans	-53.6	133	-177.7	22.2	-33.7	0	0	0	110	P209	P207-P209 VanDerWaalsContact O-CD 3.23Å; P207-P209 WeakPolarHBondContact O-CD 3.32Å
208	F	58.7	Low	56.3	Low	18 Å²	18	59 Å²	59	8%	0.079	30%	0.304	C	S	.	.			trans	-46.8	109.3	-173.1	-84	-88.1	0	0	0	110.1	M205 L206 T210 L225 Y497 L508 Q510	M205-F208 HydrophobicContact CE-CE2 3.76Å; M205-F208 HydrophobicContact CE-CZ 4.21Å; M205-F208 HydrophobicContact SD-CE2 3.95Å; L206-F208 PolarHBondContact O-N 3.34Å; F208-T210 PolarHBondContact O-N 2.72Å; F208-L225 HydrophobicContact CD2-CB 3.89Å; F208-L225 HydrophobicContact CD2-CD1 4.09Å; F208-L225 HydrophobicContact CD2-CG 4.47Å; F208-L225 HydrophobicContact CE2-CB 3.66Å; F208-L225 HydrophobicContact CG-CB 4.47Å; F208-L225 HydrophobicContact CG-CD1 4.34Å; F208-L225 HydrophobicContact CZ-CB 4.04Å; F208-Y497 HydrophobicContact CD1-CD1 4.3Å; F208-Y497 HydrophobicContact CD1-CE1 4.07Å; F208-Y497 HydrophobicContact CE1-CD1 4.18Å; F208-Y497 HydrophobicContact CE1-CE1 4.15Å; F208-L508 HydrophobicContact CD1-CD2 3.85Å; F208-L508 HydrophobicContact CD1-CG 3.94Å; F208-L508 HydrophobicContact CE1-CD2 4.26Å; F208-L508 HydrophobicContact CE1-CG 3.81Å; F208-Q510 HydrophobicContact CE1-CB 3.81Å; F208-Q510 HydrophobicContact CZ-CB 3.8Å
209	P	54.8	Low	56.2	Low	20 Å²	20	62.5 Å²	62.5	13%	0.13	33%	0.327	C	S	.	.			trans	-64.6	133	-162.8	-27.3	35.5	0	0	0	111.1	R177 P207 S211 V212 Y213 Y497	R177-P209 VanDerWaalsContact CZ-CB 3.43Å; P207-P209 VanDerWaalsContact O-CD 3.23Å; P207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-S211 PolarHBondContact O-N 2.74Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.33Å; P209-V212 WeakPolarHBondContact O-CA 3.25Å; P209-V212 WeakPolarHBondContact O-CB 3.37Å; P209-V212 PolarHBondContact O-N 2.75Å; P209-Y213 PolarHBondContact O-N 2.87Å; P209-Y213 VanDerWaalsContact O-N 3.09Å; P209-Y497 WeakPolarHBondContact CD-OH 3.49Å
210	T	53.1	Low	56.7	Low	99 Å²	99	61.1 Å²	61.1	61%	0.607	32%	0.318	S	S	*	.	H	α-helix	trans	-57.5	-22.9	-171.6	-34.7	0	0	0	0	113.7	F208 K214	F208-T210 PolarHBondContact O-N 2.72Å; T210-K214 WeakPolarHBondContact O-CB 3.37Å; T210-K214 VanDerWaalsContact O-CG 3.26Å; T210-K214 WeakPolarHBondContact O-CG 3.38Å; T210-K214 PolarHBondContact O-N 2.92Å
211	S	52.5	Low	57.6	Low	59 Å²	59	63.5 Å²	63.5	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-76.9	-34	171.4	56.8	0	0	0	0	114.3	R177 P209 K214 Q215	R177-S211 PolarHBondContact NH2-OG 2.94Å; P209-S211 PolarHBondContact O-N 2.74Å; S211-K214 PolarHBondContact O-N 3.23Å; S211-Q215 WeakPolarHBondContact O-CB 3.48Å; S211-Q215 WeakPolarHBondContact O-CG 3.49Å; S211-Q215 PolarHBondContact O-N 3.15Å; S211-Q215 PolarHBondContact O-OE1 2.85Å
212	V	55.5	Low	58.8	Low	1 Å²	1	65.4 Å²	65.4	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-45.5	171.5	178.5	0	0	0	0	109.4	L175 P209 K214 Q215 I216 Y497 L508	L175-V212 HydrophobicContact CD1-CG1 4.47Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.33Å; P209-V212 WeakPolarHBondContact O-CA 3.25Å; P209-V212 WeakPolarHBondContact O-CB 3.37Å; P209-V212 PolarHBondContact O-N 2.75Å; V212-K214 VanDerWaalsContact C-N 3.35Å; V212-K214 PolarHBondContact O-N 3.04Å; V212-Q215 PolarHBondContact O-N 2.64Å; V212-Q215 VanDerWaalsContact O-N 3.15Å; V212-I216 HydrophobicContact CG1-CD1 3.69Å; V212-I216 HydrophobicContact CG1-CG1 4.44Å; V212-I216 PolarHBondContact O-N 3.12Å; V212-Y497 HydrophobicContact CG1-CD1 3.97Å; V212-Y497 HydrophobicContact CG1-CD2 4.25Å; V212-Y497 HydrophobicContact CG1-CE1 4.44Å; V212-Y497 HydrophobicContact CG1-CG 3.87Å; V212-Y497 HydrophobicContact CG2-CD2 4.22Å; V212-Y497 HydrophobicContact CG2-CE2 4.12Å; V212-L508 HydrophobicContact CG1-CD1 4.49Å; V212-L508 HydrophobicContact CG1-CD2 4.32Å
213	Y	59	Low	60.3	Low	34 Å²	34	63.9 Å²	63.9	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-53.2	-51	173.3	-148.9	-108	0	0	0	110.8	P209 Q215 H217 L223 L225 E252	P209-Y213 PolarHBondContact O-N 2.87Å; P209-Y213 VanDerWaalsContact O-N 3.09Å; Y213-Q215 PolarHBondContact O-N 2.83Å; Y213-H217 AromaticContact CD1-CE1 3.65Å; Y213-H217 AromaticContact CD1-NE2 3.35Å; Y213-H217 WeakPolarHBondContact CD1-NE2 3.4Å; Y213-H217 AromaticContact CE1-CE1 3.57Å; Y213-H217 AromaticContact CE1-NE2 3.29Å; Y213-H217 VanDerWaalsContact CE1-NE2 3.29Å; Y213-H217 WeakPolarHBondContact CE1-NE2 3.32Å; Y213-H217 AromaticContact CG-NE2 4Å; Y213-H217 AromaticContact CZ-NE2 3.88Å; Y213-H217 WeakPolarHBondContact O-CB 3.18Å; Y213-H217 PolarHBondContact O-CD2 2.87Å; Y213-H217 PolarHBondContact O-N 2.87Å; Y213-H217 VanDerWaalsContact O-N 3.14Å; Y213-L223 HydrophobicContact CD2-CD2 4.47Å; Y213-L223 HydrophobicContact CE2-CD2 3.6Å; Y213-L225 HydrophobicContact CE2-CD1 4.01Å; Y213-L225 HydrophobicContact CE2-CD2 4.07Å; Y213-E252 PolarHBondContact OH-OE1 3.14Å
214	K	57.5	Low	61.9	Low	159 Å²	159	62.4 Å²	62.4	69%	0.691	33%	0.325	S	S	*	.	H	α-helix	trans	-67.4	-24.8	177.6	-77.1	179.1	177.5	-171.8	0	115.6	T210 S211 V212	T210-K214 WeakPolarHBondContact O-CB 3.37Å; T210-K214 VanDerWaalsContact O-CG 3.26Å; T210-K214 WeakPolarHBondContact O-CG 3.38Å; T210-K214 PolarHBondContact O-N 2.92Å; S211-K214 PolarHBondContact O-N 3.23Å; V212-K214 VanDerWaalsContact C-N 3.35Å; V212-K214 PolarHBondContact O-N 3.04Å
215	Q	55.8	Low	63.8	Low	119 Å²	119	58.6 Å²	58.6	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-80.3	-44.4	178.4	-77.4	169.1	-45.1	0	0	111.3	L175 S211 V212 Y213 H217	L175-Q215 HydrophobicContact CD1-CB 3.68Å; S211-Q215 WeakPolarHBondContact O-CB 3.48Å; S211-Q215 WeakPolarHBondContact O-CG 3.49Å; S211-Q215 PolarHBondContact O-N 3.15Å; S211-Q215 PolarHBondContact O-OE1 2.85Å; V212-Q215 PolarHBondContact O-N 2.64Å; V212-Q215 VanDerWaalsContact O-N 3.15Å; Y213-Q215 PolarHBondContact O-N 2.83Å; Q215-H217 PolarHBondContact O-N 2.86Å
216	I	57.9	Low	65.8	Low	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-78.8	-7.9	-179.3	-62.8	178.1	0	0	0	112.1	L175 V212 H218 S499 L508	L175-I216 HydrophobicContact CD1-CD1 3.88Å; L175-I216 HydrophobicContact CD1-CG1 3.56Å; L175-I216 HydrophobicContact CG-CD1 4.44Å; L175-I216 HydrophobicContact CG-CG1 4.35Å; V212-I216 HydrophobicContact CG1-CD1 3.69Å; V212-I216 HydrophobicContact CG1-CG1 4.44Å; V212-I216 PolarHBondContact O-N 3.12Å; I216-H218 PolarHBondContact O-N 3.21Å; I216-S499 VanDerWaalsContact CG2-OG 3.24Å; I216-S499 WeakPolarHBondContact CG2-OG 2.94Å; I216-L508 HydrophobicContact CD1-CD1 3.38Å; I216-L508 HydrophobicContact CD1-CD2 4.19Å; I216-L508 HydrophobicContact CD1-CG 4.41Å
217	H	56.8	Low	67.5	Low	69 Å²	69	52.7 Å²	52.7	32%	0.319	28%	0.279	S	S	.	.			trans	-69.8	84.5	-175.9	-105.6	-145.6	0	0	0	114	Y213 Q215 R260	Y213-H217 AromaticContact CD1-CE1 3.65Å; Y213-H217 AromaticContact CD1-NE2 3.35Å; Y213-H217 WeakPolarHBondContact CD1-NE2 3.4Å; Y213-H217 AromaticContact CE1-CE1 3.57Å; Y213-H217 AromaticContact CE1-NE2 3.29Å; Y213-H217 VanDerWaalsContact CE1-NE2 3.29Å; Y213-H217 WeakPolarHBondContact CE1-NE2 3.32Å; Y213-H217 AromaticContact CG-NE2 4Å; Y213-H217 AromaticContact CZ-NE2 3.88Å; Y213-H217 WeakPolarHBondContact O-CB 3.18Å; Y213-H217 PolarHBondContact O-CD2 2.87Å; Y213-H217 PolarHBondContact O-N 2.87Å; Y213-H217 VanDerWaalsContact O-N 3.14Å; Q215-H217 PolarHBondContact O-N 2.86Å; H217-R260 PolarHBondContact CE1-NH1 2.71Å; H217-R260 PolarHBondContact CE1-NH2 3.18Å
218	H	55.3	Low	69	Low	109 Å²	109	48.8 Å²	48.8	51%	0.505	25%	0.251	S	S	.	.			trans	-75.3	159	146.9	-56.8	-33.6	0	0	0	110.2	I216 V220	I216-H218 PolarHBondContact O-N 3.21Å; H218-V220 VanDerWaalsContact C-N 3.26Å; H218-V220 HydrophobicContact CB-CG2 4.01Å; H218-V220 PolarHBondContact O-N 2.98Å
219	S	60.1	Low	70.2	Confident	106 Å²	106	50 Å²	50	74%	0.741	26%	0.259	S	S	*	.	S	Bend	trans	-72.7	76	176.7	53.7	0	0	0	0	111.3
220	V	71.4	Confident	71.9	Confident	27 Å²	27	49.1 Å²	49.1	16%	0.164	25%	0.253	C	S	.	.			trans	-113.9	127.7	-177	-178.5	0	0	0	0	110.9	H218 Y222 R260 N506	H218-V220 VanDerWaalsContact C-N 3.26Å; H218-V220 HydrophobicContact CB-CG2 4.01Å; H218-V220 PolarHBondContact O-N 2.98Å; V220-Y222 WeakPolarHBondContact CG1-O 3.26Å; V220-R260 PolarHBondContact O-NE 2.8Å; V220-N506 HydrophobicContact CG1-CB 4.15Å
221	E	80.3	Confident	73.7	Confident	93 Å²	93	44.5 Å²	44.5	44%	0.435	22%	0.224	S	C	.	.	S	Bend	trans	-67.5	-37.9	-176.9	-177.6	178.7	-163.3	0	0	112.7	R260 K261	E221-R260 CarbonylContact O-C 3.53Å; E221-R260 WeakPolarHBondContact O-CA 3.28Å; E221-K261 PolarHBondContact O-N 3.37Å
222	Y	87.8	Confident	75.4	Confident	58 Å²	58	42.5 Å²	42.5	23%	0.227	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.1	-176	-58.4	-72.7	0	0	0	111.4	V220 K261 N504 N506 F646	V220-Y222 WeakPolarHBondContact CG1-O 3.26Å; Y222-K261 HydrophobicContact CD1-CB 4.36Å; Y222-N504 VanDerWaalsContact CD2-ND2 3.33Å; Y222-N504 WeakPolarHBondContact CD2-ND2 3.25Å; Y222-N504 VanDerWaalsContact CE2-ND2 3.32Å; Y222-N504 WeakPolarHBondContact CE2-ND2 3.48Å; Y222-N506 PolarHBondContact O-N 2.76Å; Y222-F646 HydrophobicContact CD1-CB 4.21Å; Y222-F646 AromaticContact CD1-CD1 3.65Å; Y222-F646 HydrophobicContact CD1-CD1 3.65Å; Y222-F646 HydrophobicContact CD1-CD2 4.14Å; Y222-F646 AromaticContact CD1-CE1 3.97Å; Y222-F646 HydrophobicContact CD1-CE1 3.97Å; Y222-F646 HydrophobicContact CD1-CE2 4.45Å; Y222-F646 AromaticContact CD1-CG 3.75Å; Y222-F646 HydrophobicContact CD1-CG 3.75Å; Y222-F646 HydrophobicContact CD1-CZ 4.36Å; Y222-F646 HydrophobicContact CE1-CB 4.33Å; Y222-F646 HydrophobicContact CE1-CD1 4.42Å; Y222-F646 HydrophobicContact CE1-CG 4.36Å
223	L	89.2	Confident	76.8	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.7	-179.6	-176.3	62.2	0	0	0	110.9	Y213 L225 R260 K261 T262 I263 N506 F646	Y213-L223 HydrophobicContact CD2-CD2 4.47Å; Y213-L223 HydrophobicContact CE2-CD2 3.6Å; L223-L225 HydrophobicContact CD1-CD2 4.23Å; L223-L225 HydrophobicContact CD2-CD2 4Å; L223-L225 HydrophobicContact CG-CD2 3.89Å; L223-R260 HydrophobicContact CB-CG 4.37Å; L223-K261 PolarHBondContact N-O 2.93Å; L223-T262 HydrophobicContact CB-CG2 4.37Å; L223-T262 HydrophobicContact CD2-CG2 4.35Å; L223-T262 HydrophobicContact CG-CG2 4.35Å; L223-T262 CarbonylContact O-C 3.55Å; L223-T262 VanDerWaalsContact O-CA 3.29Å; L223-T262 WeakPolarHBondContact O-CA 3.4Å; L223-I263 PolarHBondContact O-N 3.02Å; L223-N506 CarbonylContact C-O 3.58Å; L223-N506 WeakPolarHBondContact CA-O 3.44Å; L223-N506 HydrophobicContact CD1-CB 4.06Å; L223-F646 WeakPolarHBondContact O-CZ 3.46Å
224	V	91.6	Very high	78.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129	176	-168	0	0	0	0	108.9	L226 I263 F265 N506 L507 L508 L642 F646	V224-L226 HydrophobicContact CG1-CD2 4.16Å; V224-I263 CarbonylContact C-O 3.55Å; V224-I263 VanDerWaalsContact CA-O 3.31Å; V224-I263 WeakPolarHBondContact CA-O 3.47Å; V224-I263 HydrophobicContact CG1-CB 4.45Å; V224-F265 HydrophobicContact CG1-CD2 3.75Å; V224-F265 HydrophobicContact CG1-CE2 3.55Å; V224-N506 PolarHBondContact N-O 2.97Å; V224-L507 HydrophobicContact CB-CD1 4.17Å; V224-L507 HydrophobicContact CB-CG 4.04Å; V224-L507 HydrophobicContact CG2-CD1 3.92Å; V224-L507 HydrophobicContact CG2-CG 4.31Å; V224-L507 WeakPolarHBondContact O-CA 3.36Å; V224-L508 PolarHBondContact O-N 2.85Å; V224-L642 HydrophobicContact CG1-CD2 4.13Å; V224-L642 HydrophobicContact CG2-CD1 4.28Å; V224-L642 HydrophobicContact CG2-CD2 4.04Å; V224-F646 HydrophobicContact CG2-CE2 3.73Å; V224-F646 HydrophobicContact CG2-CZ 3.57Å
225	L	90.1	Very high	79.7	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.2	178.5	-47.7	179.6	0	0	0	109	F208 Y213 L223 T262 I263 Q264 F265 L508	F208-L225 HydrophobicContact CD2-CB 3.89Å; F208-L225 HydrophobicContact CD2-CD1 4.09Å; F208-L225 HydrophobicContact CD2-CG 4.47Å; F208-L225 HydrophobicContact CE2-CB 3.66Å; F208-L225 HydrophobicContact CG-CB 4.47Å; F208-L225 HydrophobicContact CG-CD1 4.34Å; F208-L225 HydrophobicContact CZ-CB 4.04Å; Y213-L225 HydrophobicContact CE2-CD1 4.01Å; Y213-L225 HydrophobicContact CE2-CD2 4.07Å; L223-L225 HydrophobicContact CD1-CD2 4.23Å; L223-L225 HydrophobicContact CD2-CD2 4Å; L223-L225 HydrophobicContact CG-CD2 3.89Å; L225-T262 HydrophobicContact CD1-CG2 3.95Å; L225-T262 HydrophobicContact CG-CG2 3.99Å; L225-I263 PolarHBondContact N-O 3.05Å; L225-Q264 HydrophobicContact CB-CB 4.33Å; L225-Q264 HydrophobicContact CB-CG 4.18Å; L225-Q264 HydrophobicContact CD1-CB 4.23Å; L225-Q264 HydrophobicContact CD1-CG 4.24Å; L225-F265 PolarHBondContact O-N 2.96Å; L225-L508 HydrophobicContact CD2-CB 3.91Å; L225-L508 HydrophobicContact CD2-CD2 4.07Å; L225-L508 HydrophobicContact CD2-CG 4.33Å
226	L	90.5	Very high	81	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	163.8	-177.4	70.2	176.5	0	0	0	113.6	V224 V230 L231 L234 F265 L507 L508 V509 Q510	V224-L226 HydrophobicContact CG1-CD2 4.16Å; L226-V230 HydrophobicContact CB-CB 4.23Å; L226-V230 HydrophobicContact CB-CG1 4.07Å; L226-V230 HydrophobicContact CD1-CG1 4.17Å; L226-L231 HydrophobicContact CD1-CB 3.68Å; L226-L231 HydrophobicContact CD1-CD1 4.01Å; L226-L231 HydrophobicContact CD1-CG 4.36Å; L226-L231 HydrophobicContact CG-CB 4.2Å; L226-L234 HydrophobicContact CD1-CD1 4.49Å; L226-F265 HydrophobicContact CB-CB 4.04Å; L226-F265 HydrophobicContact CB-CD2 4.12Å; L226-F265 HydrophobicContact CB-CG 4.46Å; L226-F265 HydrophobicContact CD1-CD2 4.47Å; L226-L507 HydrophobicContact CD2-CB 4.41Å; L226-L508 PolarHBondContact N-O 3.2Å; L226-V509 HydrophobicContact CD2-CG2 4.03Å; L226-V509 CarbonylContact O-C 3.51Å; L226-V509 WeakPolarHBondContact O-CA 3.48Å; L226-Q510 PolarHBondContact O-N 3.34Å
227	T	86.2	Confident	81.5	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	162.7	167.8	64	0	0	0	0	111.8	M205 N229 V230 L231 Q510	M205-T227 HydrophobicContact CE-CG2 3.63Å; M205-T227 HydrophobicContact CG-CG2 3.79Å; T227-N229 VanDerWaalsContact C-N 3.27Å; T227-N229 PolarHBondContact O-N 3.1Å; T227-V230 PolarHBondContact O-N 2.76Å; T227-V230 WeakPolarHBondContact OG1-CG2 3.38Å; T227-V230 PolarHBondContact OG1-N 2.74Å; T227-L231 PolarHBondContact O-N 2.86Å; T227-Q510 CarbonylContact C-O 3.52Å; T227-Q510 VanDerWaalsContact CA-O 3.28Å; T227-Q510 WeakPolarHBondContact CA-O 3.24Å
228	E	85.8	Confident	81.8	Confident	25 Å²	25	31.3 Å²	31.3	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-54.1	-40.9	168.2	166.8	171.5	-143.3	0	0	112.6	V230 L231 N232 V509 Q510 F511 I593 R594	E228-V230 PolarHBondContact O-N 3.4Å; E228-L231 PolarHBondContact O-N 2.8Å; E228-N232 WeakPolarHBondContact O-CB 3.42Å; E228-N232 PolarHBondContact O-N 3.18Å; E228-N232 PolarHBondContact O-ND2 3.5Å; E228-V509 HydrophobicContact CB-CG1 4.31Å; E228-Q510 PolarHBondContact N-O 3.23Å; E228-F511 HydrophobicContact CB-CB 3.84Å; E228-F511 WeakPolarHBondContact OE2-CB 3.38Å; E228-I593 HydrophobicContact CB-CD1 3.92Å; E228-I593 HydrophobicContact CG-CD1 3.81Å; E228-I593 WeakPolarHBondContact OE1-CD1 3.04Å; E228-R594 IonicContact OE1-CZ 3.63Å; E228-R594 IonicContact OE1-NH1 3.8Å; E228-R594 PolarHBondContact OE1-NH1 3.32Å; E228-R594 IonicContact OE1-NH2 2.7Å; E228-R594 PolarHBondContact OE1-NH2 3.44Å; E228-R594 IonicContact OE2-CZ 2.76Å; E228-R594 IonicContact OE2-NH1 2.68Å; E228-R594 IonicContact OE2-NH2 3.76Å; E228-R594 PolarHBondContact OE2-NH2 3.49Å
229	N	83.9	Confident	82.2	Confident	45 Å²	45	28.7 Å²	28.7	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-38.8	178.5	-87.3	-34.7	0	0	0	112.9	E203 T227 N232 C233	E203-N229 PolarHBondContact OE1-ND2 3.03Å; E203-N229 PolarHBondContact OE2-ND2 2.95Å; T227-N229 VanDerWaalsContact C-N 3.27Å; T227-N229 PolarHBondContact O-N 3.1Å; N229-N232 PolarHBondContact O-N 3.5Å; N229-C233 PolarHBondContact O-N 3.39Å; N229-C233 VanDerWaalsContact O-N 3.15Å; N229-C233 PolarHBondContact O-SG 3.47Å
230	V	88.7	Confident	82.9	Confident	1 Å²	1	24 Å²	24	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-43.7	172.1	174.9	0	0	0	0	110.8	L226 T227 E228 N232 C233 L234 V245 F265 G266 I268	L226-V230 HydrophobicContact CB-CB 4.23Å; L226-V230 HydrophobicContact CB-CG1 4.07Å; L226-V230 HydrophobicContact CD1-CG1 4.17Å; T227-V230 PolarHBondContact O-N 2.76Å; T227-V230 WeakPolarHBondContact OG1-CG2 3.38Å; T227-V230 PolarHBondContact OG1-N 2.74Å; E228-V230 PolarHBondContact O-N 3.4Å; V230-N232 VanDerWaalsContact C-N 3.31Å; V230-N232 PolarHBondContact O-N 3.05Å; V230-C233 PolarHBondContact O-N 3.42Å; V230-L234 HydrophobicContact CG1-CD1 3.64Å; V230-L234 HydrophobicContact CG1-CG 4.08Å; V230-L234 WeakPolarHBondContact O-CB 3.41Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 3.06Å; V230-V245 HydrophobicContact CG1-CG1 3.97Å; V230-F265 HydrophobicContact CG1-CB 3.8Å; V230-F265 HydrophobicContact CG1-CD1 4.32Å; V230-F265 HydrophobicContact CG1-CG 4.03Å; V230-G266 WeakPolarHBondContact CG2-O 3.5Å; V230-I268 HydrophobicContact CG2-CG2 4.26Å
231	L	91	Very high	83.1	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-38.9	177.1	-177.5	58	0	0	0	111.5	L226 T227 E228 C233 L234 F235 L500 L507 V509 L589 I593 L638	L226-L231 HydrophobicContact CD1-CB 3.68Å; L226-L231 HydrophobicContact CD1-CD1 4.01Å; L226-L231 HydrophobicContact CD1-CG 4.36Å; L226-L231 HydrophobicContact CG-CB 4.2Å; T227-L231 PolarHBondContact O-N 2.86Å; E228-L231 PolarHBondContact O-N 2.8Å; L231-C233 PolarHBondContact O-N 2.94Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 2.8Å; L231-F235 WeakPolarHBondContact O-CA 3.31Å; L231-F235 WeakPolarHBondContact O-CB 3.15Å; L231-F235 PolarHBondContact O-N 3.49Å; L231-L500 HydrophobicContact CD2-CD1 4.48Å; L231-L507 HydrophobicContact CD1-CD2 4.29Å; L231-V509 HydrophobicContact CD2-CG1 4.19Å; L231-V509 HydrophobicContact CD2-CG2 3.62Å; L231-L589 HydrophobicContact CD2-CD1 3.92Å; L231-L589 HydrophobicContact CD2-CD2 4.42Å; L231-L589 HydrophobicContact CD2-CG 4.48Å; L231-L589 HydrophobicContact CG-CD1 4.24Å; L231-L589 HydrophobicContact CG-CD2 3.98Å; L231-I593 HydrophobicContact CD2-CG2 4.09Å; L231-L638 HydrophobicContact CD1-CD2 3.79Å
232	N	88.4	Confident	83	Confident	17 Å²	17	21.6 Å²	21.6	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-47	174.3	-73.7	-27.4	0	0	0	111.2	E228 N229 V230 L236 L586 L589	E228-N232 WeakPolarHBondContact O-CB 3.42Å; E228-N232 PolarHBondContact O-N 3.18Å; E228-N232 PolarHBondContact O-ND2 3.5Å; N229-N232 PolarHBondContact O-N 3.5Å; V230-N232 VanDerWaalsContact C-N 3.31Å; V230-N232 PolarHBondContact O-N 3.05Å; N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CG 3.33Å; N232-L236 PolarHBondContact O-N 3.34Å; N232-L236 VanDerWaalsContact O-N 3.09Å; N232-L586 HydrophobicContact CB-CD2 3.68Å; N232-L586 VanDerWaalsContact OD1-CD2 3.32Å; N232-L586 WeakPolarHBondContact OD1-CD2 3.48Å; N232-L589 WeakPolarHBondContact OD1-CD2 3.43Å
233	C	86.2	Confident	83	Confident	30 Å²	30	19.8 Å²	19.8	20%	0.203	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-48.4	174.8	-68.5	0	0	0	0	112.6	N229 V230 L231 F235 L237	N229-C233 PolarHBondContact O-N 3.39Å; N229-C233 VanDerWaalsContact O-N 3.15Å; N229-C233 PolarHBondContact O-SG 3.47Å; V230-C233 PolarHBondContact O-N 3.42Å; L231-C233 PolarHBondContact O-N 2.94Å; C233-F235 VanDerWaalsContact C-N 3.3Å; C233-F235 PolarHBondContact O-N 3.36Å; C233-L237 PolarHBondContact O-N 3.28Å
234	L	89	Confident	83.1	Confident	1 Å²	1	21 Å²	21	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-76.9	-9.5	-178.3	-63.6	-178.7	0	0	0	114.3	L226 V230 L231 L237 L240 V245 F265 L638 L641 L655	L226-L234 HydrophobicContact CD1-CD1 4.49Å; V230-L234 HydrophobicContact CG1-CD1 3.64Å; V230-L234 HydrophobicContact CG1-CG 4.08Å; V230-L234 WeakPolarHBondContact O-CB 3.41Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 3.06Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 2.8Å; L234-L237 WeakPolarHBondContact O-CD1 3.33Å; L234-L237 VanDerWaalsContact O-CD2 3.23Å; L234-L237 WeakPolarHBondContact O-CD2 3.44Å; L234-L237 WeakPolarHBondContact O-CG 3.26Å; L234-L240 HydrophobicContact CD2-CD1 4.47Å; L234-V245 HydrophobicContact CD2-CG2 4.39Å; L234-F265 HydrophobicContact CD1-CD1 3.87Å; L234-F265 HydrophobicContact CD1-CD2 4.15Å; L234-F265 HydrophobicContact CD1-CE1 3.55Å; L234-F265 HydrophobicContact CD1-CE2 3.82Å; L234-F265 HydrophobicContact CD1-CG 4.17Å; L234-F265 HydrophobicContact CD1-CZ 3.51Å; L234-L638 HydrophobicContact CB-CD1 4.16Å; L234-L638 WeakPolarHBondContact O-CD1 3.16Å; L234-L641 HydrophobicContact CD2-CD2 4.26Å; L234-L655 HydrophobicContact CD2-CD2 3.91Å
235	F	88.5	Confident	83.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-93.1	-45.6	172.6	178.7	-109.2	0	0	0	111	L231 C233 L237 E585 W588 L589 P631 N634 V635 L638	L231-F235 WeakPolarHBondContact O-CA 3.31Å; L231-F235 WeakPolarHBondContact O-CB 3.15Å; L231-F235 PolarHBondContact O-N 3.49Å; C233-F235 VanDerWaalsContact C-N 3.3Å; C233-F235 PolarHBondContact O-N 3.36Å; F235-L237 PolarHBondContact O-N 3.08Å; F235-E585 HydrophobicContact CE1-CB 4.21Å; F235-W588 HydrophobicContact CE1-CE3 4.13Å; F235-W588 HydrophobicContact CE1-CZ3 4.34Å; F235-W588 HydrophobicContact CE2-CE3 4.46Å; F235-W588 AromaticContact CE2-CZ3 3.87Å; F235-W588 HydrophobicContact CE2-CZ3 3.87Å; F235-W588 AromaticContact CZ-CE3 3.67Å; F235-W588 HydrophobicContact CZ-CE3 3.67Å; F235-W588 AromaticContact CZ-CZ3 3.52Å; F235-W588 HydrophobicContact CZ-CZ3 3.52Å; F235-L589 HydrophobicContact CB-CD2 3.77Å; F235-L589 HydrophobicContact CD1-CB 4.34Å; F235-L589 HydrophobicContact CD1-CD2 3.7Å; F235-L589 HydrophobicContact CD1-CG 4.5Å; F235-L589 HydrophobicContact CE1-CB 4.34Å; F235-L589 HydrophobicContact CE1-CD2 4.47Å; F235-L589 HydrophobicContact CG-CD2 3.82Å; F235-P631 HydrophobicContact CZ-CB 3.99Å; F235-N634 HydrophobicContact CD1-CB 4.41Å; F235-N634 HydrophobicContact CD2-CB 3.92Å; F235-N634 HydrophobicContact CE1-CB 4.13Å; F235-N634 HydrophobicContact CE2-CB 3.59Å; F235-N634 HydrophobicContact CG-CB 4.32Å; F235-N634 HydrophobicContact CZ-CB 3.71Å; F235-N634 VanDerWaalsContact O-CB 3.28Å; F235-N634 WeakPolarHBondContact O-CB 3.36Å; F235-V635 HydrophobicContact CE2-CG2 3.83Å; F235-L638 HydrophobicContact CD2-CD2 4.35Å
236	L	82.7	Confident	83.2	Confident	27 Å²	27	21 Å²	21	14%	0.141	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-29.8	-179.5	-70.1	173.1	0	0	0	112.8	N232 K238 Q582 E585 L586	N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CG 3.33Å; N232-L236 PolarHBondContact O-N 3.34Å; N232-L236 VanDerWaalsContact O-N 3.09Å; L236-K238 PolarHBondContact O-N 3.49Å; L236-Q582 HydrophobicContact CD2-CG 4.4Å; L236-E585 HydrophobicContact CD2-CB 3.48Å; L236-E585 VanDerWaalsContact CD2-CB 3.48Å; L236-E585 HydrophobicContact CD2-CG 4.12Å; L236-E585 WeakPolarHBondContact CD2-OE2 3.35Å; L236-L586 HydrophobicContact CD1-CD2 4.12Å; L236-L586 HydrophobicContact CD1-CG 4.33Å
237	L	68.2	Low	83.4	Confident	8 Å²	8	21 Å²	21	4%	0.042	12%	0.121	C	C	.	.			trans	41.1	41.3	173.9	-64.6	171.3	0	0	0	114.1	C233 L234 F235 R637 L638 L641 F666	C233-L237 PolarHBondContact O-N 3.28Å; L234-L237 WeakPolarHBondContact O-CD1 3.33Å; L234-L237 VanDerWaalsContact O-CD2 3.23Å; L234-L237 WeakPolarHBondContact O-CD2 3.44Å; L234-L237 WeakPolarHBondContact O-CG 3.26Å; F235-L237 PolarHBondContact O-N 3.08Å; L237-R637 VanDerWaalsContact CD1-C 3.5Å; L237-R637 HydrophobicContact CD1-CB 3.41Å; L237-R637 VanDerWaalsContact CD1-CB 3.41Å; L237-L638 HydrophobicContact CD1-CB 4.13Å; L237-L641 HydrophobicContact CD2-CD2 3.83Å; L237-F666 HydrophobicContact CD2-CE1 4.26Å; L237-F666 HydrophobicContact CD2-CE2 4.47Å; L237-F666 HydrophobicContact CD2-CZ 3.76Å
238	K	63.5	Low	83.8	Confident	88 Å²	88	23.3 Å²	23.3	38%	0.383	13%	0.133	S	C	.	.			trans	-95.6	161.7	164.6	-71.8	157	-165.1	173	0	107.4	L236 L240 Q582 E585	L236-K238 PolarHBondContact O-N 3.49Å; K238-L240 PolarHBondContact O-N 3.32Å; K238-L240 VanDerWaalsContact O-N 3.15Å; K238-Q582 HydrophobicContact CD-CG 4.24Å; K238-Q582 VanDerWaalsContact NZ-CG 3.34Å; K238-E585 IonicContact NZ-OE1 2.62Å; K238-E585 IonicContact NZ-OE2 3.4Å; K238-E585 PolarHBondContact NZ-OE2 3.33Å
239	A	64.4	Low	84.1	Confident	53 Å²	53	22.2 Å²	22.2	44%	0.438	13%	0.128	S	C	.	.			trans	-50	119.2	-160.6	0	0	0	0	0	113.4	V241 Q657	A239-V241 HydrophobicContact CB-CB 4.49Å; A239-V241 HydrophobicContact CB-CG2 4.01Å; A239-V241 PolarHBondContact O-N 3.26Å; A239-Q657 VanDerWaalsContact CA-OE1 3.25Å
240	L	74.6	Confident	84.5	Confident	7 Å²	7	23.2 Å²	23.2	4%	0.037	14%	0.135	C	C	.	.			trans	-79	31.9	174.4	-64.3	-177.5	0	0	0	111.4	L234 K238 G242 V243 V245 L655 T656 Q657 F666	L234-L240 HydrophobicContact CD2-CD1 4.47Å; K238-L240 PolarHBondContact O-N 3.32Å; K238-L240 VanDerWaalsContact O-N 3.15Å; L240-G242 PolarHBondContact O-N 3.47Å; L240-V243 HydrophobicContact CB-CB 4.31Å; L240-V243 HydrophobicContact CD2-CB 4.2Å; L240-V243 HydrophobicContact CD2-CG1 4.18Å; L240-V243 PolarHBondContact O-N 2.86Å; L240-V243 VanDerWaalsContact O-N 3.09Å; L240-V245 HydrophobicContact CD1-CG2 4.3Å; L240-L655 HydrophobicContact CD1-CD2 4.24Å; L240-T656 PolarHBondContact O-OG1 2.88Å; L240-Q657 HydrophobicContact CB-CB 4.24Å; L240-Q657 PolarHBondContact O-N 2.92Å; L240-F666 HydrophobicContact CD1-CD1 3.84Å; L240-F666 HydrophobicContact CD1-CE1 3.82Å; L240-F666 HydrophobicContact CG-CD1 4.27Å; L240-F666 HydrophobicContact CG-CE1 3.96Å
241	V	75.1	Confident	84.5	Confident	54 Å²	54	26.1 Å²	26.1	33%	0.327	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	119.9	178.7	176	0	0	0	0	108	A239 V243 Q657 I660	A239-V241 HydrophobicContact CB-CB 4.49Å; A239-V241 HydrophobicContact CB-CG2 4.01Å; A239-V241 PolarHBondContact O-N 3.26Å; V241-V243 VanDerWaalsContact C-N 3.27Å; V241-Q657 WeakPolarHBondContact CA-O 3.28Å; V241-Q657 HydrophobicContact CG2-CB 4.08Å; V241-Q657 HydrophobicContact CG2-CG 3.89Å; V241-Q657 WeakPolarHBondContact CG2-O 3.31Å; V241-I660 HydrophobicContact CB-CG1 4.15Å; V241-I660 HydrophobicContact CG1-CD1 4.45Å; V241-I660 HydrophobicContact CG1-CG1 3.89Å; V241-I660 HydrophobicContact CG2-CG1 3.88Å
242	G	78.9	Confident	83.9	Confident	16 Å²	16	29.2 Å²	29.2	17%	0.165	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	7.7	-171.1	0	0	0	0	0	114.6	L240 L270 T271	L240-G242 PolarHBondContact O-N 3.47Å; G242-L270 CarbonylContact O-C 3.58Å; G242-L270 WeakPolarHBondContact O-CA 3.38Å; G242-T271 WeakPolarHBondContact CA-OG1 3.41Å; G242-T271 PolarHBondContact O-N 2.99Å; G242-T271 PolarHBondContact O-OG1 3.47Å
243	V	87	Confident	83.1	Confident	20 Å²	20	34.5 Å²	34.5	12%	0.121	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	174.7	-174.4	0	0	0	0	109.3	L240 V241 V245 I268 L270 T656	L240-V243 HydrophobicContact CB-CB 4.31Å; L240-V243 HydrophobicContact CD2-CB 4.2Å; L240-V243 HydrophobicContact CD2-CG1 4.18Å; L240-V243 PolarHBondContact O-N 2.86Å; L240-V243 VanDerWaalsContact O-N 3.09Å; V241-V243 VanDerWaalsContact C-N 3.27Å; V243-V245 HydrophobicContact CG1-CG2 4.46Å; V243-I268 HydrophobicContact CG1-CB 4.38Å; V243-L270 HydrophobicContact CG1-CD2 4.29Å; V243-L270 HydrophobicContact CG2-CD2 3.95Å; V243-T656 WeakPolarHBondContact O-CB 3.31Å; V243-T656 PolarHBondContact O-OG1 3.28Å
244	Y	90.9	Very high	81.9	Confident	36 Å²	36	36.4 Å²	36.4	14%	0.141	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.3	172.7	-50.8	-88.8	0	0	0	109.4	I269 T271 L654 L655 T656 I684 I689	Y244-I269 PolarHBondContact N-O 3.33Å; Y244-I269 PolarHBondContact O-N 2.74Å; Y244-T271 HydrophobicContact CE2-CG2 3.58Å; Y244-L654 HydrophobicContact CD1-CD2 3.72Å; Y244-L654 HydrophobicContact CD1-CG 4.16Å; Y244-L654 HydrophobicContact CG-CD2 4.19Å; Y244-L654 HydrophobicContact CG-CG 4.46Å; Y244-L655 CarbonylContact C-O 3.58Å; Y244-L655 WeakPolarHBondContact CA-O 3.01Å; Y244-T656 VanDerWaalsContact CD1-CB 3.45Å; Y244-T656 HydrophobicContact CD1-CG2 3.82Å; Y244-T656 WeakPolarHBondContact CD1-OG1 3.48Å; Y244-T656 HydrophobicContact CE1-CG2 3.84Å; Y244-T656 WeakPolarHBondContact CE1-OG1 3.39Å; Y244-I684 HydrophobicContact CD1-CD1 4.15Å; Y244-I684 HydrophobicContact CE1-CD1 3.65Å; Y244-I689 HydrophobicContact CD1-CD1 4.33Å; Y244-I689 HydrophobicContact CD2-CD1 3.73Å; Y244-I689 HydrophobicContact CD2-CG1 4.39Å; Y244-I689 HydrophobicContact CD2-CG2 3.99Å; Y244-I689 HydrophobicContact CE1-CD1 4.04Å; Y244-I689 HydrophobicContact CE2-CB 4.37Å; Y244-I689 HydrophobicContact CE2-CD1 3.33Å; Y244-I689 HydrophobicContact CE2-CG1 3.68Å; Y244-I689 HydrophobicContact CE2-CG2 3.74Å; Y244-I689 HydrophobicContact CG-CD1 4.21Å
245	V	92	Very high	80.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	101.7	175.5	-163.3	0	0	0	0	107.7	V230 L234 L240 V243 F265 I268 L655	V230-V245 HydrophobicContact CG1-CG1 3.97Å; L234-V245 HydrophobicContact CD2-CG2 4.39Å; L240-V245 HydrophobicContact CD1-CG2 4.3Å; V243-V245 HydrophobicContact CG1-CG2 4.46Å; V245-F265 HydrophobicContact CG1-CD1 3.73Å; V245-F265 HydrophobicContact CG1-CE1 4.37Å; V245-I268 HydrophobicContact CG2-CG2 4.22Å; V245-L655 HydrophobicContact CB-CB 4.37Å; V245-L655 PolarHBondContact N-O 3.27Å; V245-L655 PolarHBondContact O-N 3.45Å
246	P	93.2	Very high	79.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	145.6	173	-19.8	33.2	0	0	0	110.4	Y144 L148 G266 N267 I269 Y653 L654	Y144-P246 HydrophobicContact CE1-CG 4.16Å; L148-P246 HydrophobicContact CD1-CB 3.94Å; L148-P246 HydrophobicContact CD1-CG 3.61Å; L148-P246 HydrophobicContact CD2-CB 4.11Å; P246-G266 PolarHBondContact O-N 3.06Å; P246-N267 WeakPolarHBondContact CD-O 3.14Å; P246-I269 HydrophobicContact CG-CD1 3.68Å; P246-I269 HydrophobicContact CG-CG1 4.36Å; P246-Y653 WeakPolarHBondContact CA-O 3.37Å; P246-L654 HydrophobicContact CB-CD1 4.09Å; P246-L654 HydrophobicContact CG-CD1 3.71Å
247	F	94.2	Very high	78.1	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147.8	170.4	66.6	-81.1	0	0	0	112.6	V249 I263 Q264 F265 L645 L648 Y653 L655 I668	F247-V249 HydrophobicContact CD2-CG2 3.91Å; F247-V249 HydrophobicContact CE2-CG2 3.72Å; F247-I263 HydrophobicContact CB-CG2 4.29Å; F247-I263 HydrophobicContact CD2-CG2 4.03Å; F247-I263 HydrophobicContact CG-CG2 4.49Å; F247-Q264 CarbonylContact C-O 3.42Å; F247-Q264 WeakPolarHBondContact CA-O 3.13Å; F247-F265 HydrophobicContact CB-CD1 3.57Å; F247-F265 HydrophobicContact CB-CE1 3.89Å; F247-F265 HydrophobicContact CB-CG 4.15Å; F247-F265 HydrophobicContact CD1-CD1 4.5Å; F247-F265 HydrophobicContact CD1-CE1 4.19Å; F247-F265 HydrophobicContact CG-CD1 4.24Å; F247-F265 HydrophobicContact CG-CE1 4.06Å; F247-L645 HydrophobicContact CE1-CD2 4.37Å; F247-L645 HydrophobicContact CE2-CD2 4.24Å; F247-L645 HydrophobicContact CZ-CD1 4.45Å; F247-L645 HydrophobicContact CZ-CD2 3.72Å; F247-L648 HydrophobicContact CE2-CD1 3.67Å; F247-L648 HydrophobicContact CZ-CD1 3.64Å; F247-Y653 HydrophobicContact CD2-CD2 4.42Å; F247-Y653 VanDerWaalsContact CE1-CB 3.46Å; F247-Y653 AromaticContact CE2-CD2 3.87Å; F247-Y653 HydrophobicContact CE2-CD2 3.87Å; F247-Y653 AromaticContact CE2-CG 3.95Å; F247-Y653 HydrophobicContact CE2-CG 3.95Å; F247-Y653 HydrophobicContact CZ-CD2 4.26Å; F247-Y653 AromaticContact CZ-CG 3.85Å; F247-Y653 HydrophobicContact CZ-CG 3.85Å; F247-Y653 PolarHBondContact N-O 3.02Å; F247-Y653 PolarHBondContact O-N 3.33Å; F247-L655 HydrophobicContact CD1-CB 4.28Å; F247-L655 HydrophobicContact CE1-CB 3.92Å; F247-I668 HydrophobicContact CZ-CG2 4.47Å
248	D	93.2	Very high	77.8	Confident	56 Å²	56	53.9 Å²	53.9	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.8	172.2	-65.1	-53.5	0	0	0	110.2	I263 Q264 S652	D248-I263 CarbonylContact O-C 3.55Å; D248-I263 WeakPolarHBondContact O-CA 3.46Å; D248-Q264 PolarHBondContact N-O 3.5Å; D248-Q264 PolarHBondContact O-N 3.44Å; D248-S652 WeakPolarHBondContact OD1-CA 3.43Å; D248-S652 WeakPolarHBondContact OD1-CB 3.4Å; D248-S652 PolarHBondContact OD1-OG 2.82Å
249	V	94	Very high	78.3	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.2	170	-176.8	0	0	0	0	108	F247 K261 T262 I263 L648 P650 G651 Y653	F247-V249 HydrophobicContact CD2-CG2 3.91Å; F247-V249 HydrophobicContact CE2-CG2 3.72Å; V249-K261 HydrophobicContact CG1-CG 4.28Å; V249-T262 WeakPolarHBondContact CA-O 3.4Å; V249-I263 HydrophobicContact CG2-CG1 4.44Å; V249-L648 HydrophobicContact CG2-CB 4.35Å; V249-P650 CarbonylContact O-C 3.58Å; V249-P650 WeakPolarHBondContact O-CA 3.46Å; V249-G651 PolarHBondContact N-O 3.05Å; V249-G651 PolarHBondContact O-N 3.19Å; V249-Y653 HydrophobicContact CB-CD2 4.49Å; V249-Y653 HydrophobicContact CB-CE2 4.14Å; V249-Y653 HydrophobicContact CG2-CD2 3.84Å; V249-Y653 HydrophobicContact CG2-CE2 3.8Å
250	T	91.2	Very high	79.2	Confident	65 Å²	65	50.5 Å²	50.5	40%	0.399	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.1	177.8	62.9	0	0	0	0	111.2	K261 T262	T250-K261 WeakPolarHBondContact O-CA 3.28Å; T250-T262 PolarHBondContact N-O 3.42Å; T250-T262 PolarHBondContact O-N 3.21Å
251	V	87.7	Confident	79.9	Confident	62 Å²	62	52 Å²	52	38%	0.376	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.1	175	174.4	0	0	0	0	109.4	R260 K261 P650	V251-R260 CarbonylContact C-O 3.51Å; V251-R260 VanDerWaalsContact CA-O 3.28Å; V251-R260 WeakPolarHBondContact CA-O 3.4Å; V251-K261 HydrophobicContact CG2-CB 4.35Å; V251-K261 HydrophobicContact CG2-CD 4.26Å; V251-K261 HydrophobicContact CG2-CG 3.91Å; V251-P650 HydrophobicContact CB-CG 4.43Å; V251-P650 HydrophobicContact CG2-CG 3.93Å
252	E	79.2	Confident	80.6	Confident	66 Å²	66	49.5 Å²	49.5	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	103.4	174.8	-63.1	175.7	162.8	0	0	109.2	Y213 T254 S259 R260	Y213-E252 PolarHBondContact OH-OE1 3.14Å; E252-T254 HydrophobicContact CB-CG2 4.49Å; E252-T254 PolarHBondContact O-N 2.89Å; E252-S259 WeakPolarHBondContact O-CA 3.07Å; E252-R260 HydrophobicContact CB-CB 4.34Å; E252-R260 PolarHBondContact N-O 2.88Å; E252-R260 PolarHBondContact O-N 2.82Å; E252-R260 IonicContact OE2-CZ 3.49Å; E252-R260 IonicContact OE2-NH1 2.65Å; E252-R260 PolarHBondContact OE2-NH1 2.87Å
253	N	72.8	Confident	81.3	Confident	129 Å²	129	48.8 Å²	48.8	69%	0.69	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	98.5	167.1	-66.3	-16.8	0	0	0	108.1	S259	N253-S259 VanDerWaalsContact OD1-CB 3.3Å; N253-S259 WeakPolarHBondContact OD1-CB 3.18Å
254	T	61	Low	81.5	Confident	69 Å²	69	51.5 Å²	51.5	42%	0.423	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-36.5	180	68.8	0	0	0	0	111.6	E252 F258	E252-T254 HydrophobicContact CB-CG2 4.49Å; E252-T254 PolarHBondContact O-N 2.89Å; T254-F258 PolarHBondContact N-O 3.14Å; T254-F258 VanDerWaalsContact N-O 3.12Å; T254-F258 WeakPolarHBondContact OG1-CD1 3.49Å
255	D	60.8	Low	81.6	Confident	111 Å²	111	49.9 Å²	49.9	59%	0.594	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.3	179.6	-71.4	-78.5	0	0	0	110.1	S257 F258	D255-S257 PolarHBondContact O-N 3.19Å; D255-F258 PolarHBondContact O-N 3.43Å
256	A	57.2	Low	81.3	Confident	121 Å²	121	50 Å²	50	100%	1	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.2	-178.1	0	0	0	0	0	115.1
257	S	61.1	Low	80.9	Confident	117 Å²	117	51 Å²	51	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	3.3	177.7	57.4	0	0	0	0	114	D255	D255-S257 PolarHBondContact O-N 3.19Å
258	F	62.7	Low	80.6	Confident	54 Å²	54	52.5 Å²	52.5	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	110.6	-174.6	-170.5	-90.4	0	0	0	112.7	T254 D255 R260	T254-F258 PolarHBondContact N-O 3.14Å; T254-F258 VanDerWaalsContact N-O 3.12Å; T254-F258 WeakPolarHBondContact OG1-CD1 3.49Å; D255-F258 PolarHBondContact O-N 3.43Å; F258-R260 HydrophobicContact CE1-CB 4.03Å
259	S	72.9	Confident	80.4	Confident	56 Å²	56	49.9 Å²	49.9	39%	0.392	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	167	56.1	0	0	0	0	109.5	E252 N253	E252-S259 WeakPolarHBondContact O-CA 3.07Å; N253-S259 VanDerWaalsContact OD1-CB 3.3Å; N253-S259 WeakPolarHBondContact OD1-CB 3.18Å
260	R	82.8	Confident	80.2	Confident	14 Å²	14	50.1 Å²	50.1	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.5	165.3	176.8	-177.2	-61.2	96.6	10.8	109.2	H217 V220 E221 L223 V251 E252 F258 T262	H217-R260 PolarHBondContact CE1-NH1 2.71Å; H217-R260 PolarHBondContact CE1-NH2 3.18Å; V220-R260 PolarHBondContact O-NE 2.8Å; E221-R260 CarbonylContact O-C 3.53Å; E221-R260 WeakPolarHBondContact O-CA 3.28Å; L223-R260 HydrophobicContact CB-CG 4.37Å; V251-R260 CarbonylContact C-O 3.51Å; V251-R260 VanDerWaalsContact CA-O 3.28Å; V251-R260 WeakPolarHBondContact CA-O 3.4Å; E252-R260 HydrophobicContact CB-CB 4.34Å; E252-R260 PolarHBondContact N-O 2.88Å; E252-R260 PolarHBondContact O-N 2.82Å; E252-R260 IonicContact OE2-CZ 3.49Å; E252-R260 IonicContact OE2-NH1 2.65Å; E252-R260 PolarHBondContact OE2-NH1 2.87Å; F258-R260 HydrophobicContact CE1-CB 4.03Å; R260-T262 WeakPolarHBondContact CD-OG1 3.21Å
261	K	89.9	Confident	80	Confident	39 Å²	39	48.2 Å²	48.2	17%	0.17	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.9	164.4	-161	163.3	-170.9	172.7	0	109.1	E221 Y222 L223 V249 T250 V251 F646 L648	E221-K261 PolarHBondContact O-N 3.37Å; Y222-K261 HydrophobicContact CD1-CB 4.36Å; L223-K261 PolarHBondContact N-O 2.93Å; V249-K261 HydrophobicContact CG1-CG 4.28Å; T250-K261 WeakPolarHBondContact O-CA 3.28Å; V251-K261 HydrophobicContact CG2-CB 4.35Å; V251-K261 HydrophobicContact CG2-CD 4.26Å; V251-K261 HydrophobicContact CG2-CG 3.91Å; K261-F646 HydrophobicContact CB-CD1 4.2Å; K261-F646 HydrophobicContact CB-CE1 4.4Å; K261-F646 HydrophobicContact CD-CD1 4.21Å; K261-F646 WeakPolarHBondContact CD-O 3.4Å; K261-F646 WeakPolarHBondContact CE-O 3.33Å; K261-F646 HydrophobicContact CG-CD1 3.98Å; K261-F646 HydrophobicContact CG-CE1 4.42Å; K261-F646 PolarHBondContact NZ-O 3.01Å; K261-F646 WeakPolarHBondContact O-CE1 3.5Å; K261-L648 VanDerWaalsContact CE-O 3.23Å; K261-L648 WeakPolarHBondContact CE-O 3.43Å; K261-L648 PolarHBondContact NZ-O 3.14Å
262	T	90.5	Very high	79.9	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.2	-179.4	-59.8	0	0	0	0	109.6	L223 L225 V249 T250 R260	L223-T262 HydrophobicContact CB-CG2 4.37Å; L223-T262 HydrophobicContact CD2-CG2 4.35Å; L223-T262 HydrophobicContact CG-CG2 4.35Å; L223-T262 CarbonylContact O-C 3.55Å; L223-T262 VanDerWaalsContact O-CA 3.29Å; L223-T262 WeakPolarHBondContact O-CA 3.4Å; L225-T262 HydrophobicContact CD1-CG2 3.95Å; L225-T262 HydrophobicContact CG-CG2 3.99Å; V249-T262 WeakPolarHBondContact CA-O 3.4Å; T250-T262 PolarHBondContact N-O 3.42Å; T250-T262 PolarHBondContact O-N 3.21Å; R260-T262 WeakPolarHBondContact CD-OG1 3.21Å
263	I	93.2	Very high	80.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.1	165.1	-63.8	169.4	0	0	0	107.4	L223 V224 L225 F247 D248 V249 F265 L642 L645 F646	L223-I263 PolarHBondContact O-N 3.02Å; V224-I263 CarbonylContact C-O 3.55Å; V224-I263 VanDerWaalsContact CA-O 3.31Å; V224-I263 WeakPolarHBondContact CA-O 3.47Å; V224-I263 HydrophobicContact CG1-CB 4.45Å; L225-I263 PolarHBondContact N-O 3.05Å; F247-I263 HydrophobicContact CB-CG2 4.29Å; F247-I263 HydrophobicContact CD2-CG2 4.03Å; F247-I263 HydrophobicContact CG-CG2 4.49Å; D248-I263 CarbonylContact O-C 3.55Å; D248-I263 WeakPolarHBondContact O-CA 3.46Å; V249-I263 HydrophobicContact CG2-CG1 4.44Å; I263-F265 HydrophobicContact CG2-CD2 3.86Å; I263-F265 HydrophobicContact CG2-CE1 4.42Å; I263-F265 HydrophobicContact CG2-CE2 3.51Å; I263-F265 HydrophobicContact CG2-CG 4.46Å; I263-F265 HydrophobicContact CG2-CZ 3.83Å; I263-L642 HydrophobicContact CD1-CD2 4.28Å; I263-L645 HydrophobicContact CD1-CB 3.67Å; I263-F646 HydrophobicContact CB-CE1 4.39Å; I263-F646 HydrophobicContact CD1-CD1 3.6Å; I263-F646 HydrophobicContact CD1-CD2 3.88Å; I263-F646 HydrophobicContact CD1-CE1 3.61Å; I263-F646 HydrophobicContact CD1-CE2 3.87Å; I263-F646 HydrophobicContact CD1-CG 3.73Å; I263-F646 HydrophobicContact CD1-CZ 3.75Å; I263-F646 HydrophobicContact CG1-CD1 3.84Å; I263-F646 HydrophobicContact CG1-CE1 3.6Å; I263-F646 HydrophobicContact CG1-CG 4.48Å; I263-F646 HydrophobicContact CG1-CZ 4.03Å
264	Q	91.6	Very high	80.8	Confident	77 Å²	77	39 Å²	39	36%	0.36	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111	171.6	-178.7	175	-50.2	0	0	109.4	L225 F247 D248	L225-Q264 HydrophobicContact CB-CB 4.33Å; L225-Q264 HydrophobicContact CB-CG 4.18Å; L225-Q264 HydrophobicContact CD1-CB 4.23Å; L225-Q264 HydrophobicContact CD1-CG 4.24Å; F247-Q264 CarbonylContact C-O 3.42Å; F247-Q264 WeakPolarHBondContact CA-O 3.13Å; D248-Q264 PolarHBondContact N-O 3.5Å; D248-Q264 PolarHBondContact O-N 3.44Å
265	F	92.1	Very high	81.8	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	144.4	174.2	-71.9	-81.9	0	0	0	111.9	M205 V224 L225 L226 V230 L234 V245 F247 I263 L642 L645	M205-F265 WeakPolarHBondContact CE-O 3.11Å; V224-F265 HydrophobicContact CG1-CD2 3.75Å; V224-F265 HydrophobicContact CG1-CE2 3.55Å; L225-F265 PolarHBondContact O-N 2.96Å; L226-F265 HydrophobicContact CB-CB 4.04Å; L226-F265 HydrophobicContact CB-CD2 4.12Å; L226-F265 HydrophobicContact CB-CG 4.46Å; L226-F265 HydrophobicContact CD1-CD2 4.47Å; V230-F265 HydrophobicContact CG1-CB 3.8Å; V230-F265 HydrophobicContact CG1-CD1 4.32Å; V230-F265 HydrophobicContact CG1-CG 4.03Å; L234-F265 HydrophobicContact CD1-CD1 3.87Å; L234-F265 HydrophobicContact CD1-CD2 4.15Å; L234-F265 HydrophobicContact CD1-CE1 3.55Å; L234-F265 HydrophobicContact CD1-CE2 3.82Å; L234-F265 HydrophobicContact CD1-CG 4.17Å; L234-F265 HydrophobicContact CD1-CZ 3.51Å; V245-F265 HydrophobicContact CG1-CD1 3.73Å; V245-F265 HydrophobicContact CG1-CE1 4.37Å; F247-F265 HydrophobicContact CB-CD1 3.57Å; F247-F265 HydrophobicContact CB-CE1 3.89Å; F247-F265 HydrophobicContact CB-CG 4.15Å; F247-F265 HydrophobicContact CD1-CD1 4.5Å; F247-F265 HydrophobicContact CD1-CE1 4.19Å; F247-F265 HydrophobicContact CG-CD1 4.24Å; F247-F265 HydrophobicContact CG-CE1 4.06Å; I263-F265 HydrophobicContact CG2-CD2 3.86Å; I263-F265 HydrophobicContact CG2-CE1 4.42Å; I263-F265 HydrophobicContact CG2-CE2 3.51Å; I263-F265 HydrophobicContact CG2-CG 4.46Å; I263-F265 HydrophobicContact CG2-CZ 3.83Å; F265-L642 HydrophobicContact CE2-CD2 3.92Å; F265-L642 HydrophobicContact CZ-CD2 4.08Å; F265-L645 HydrophobicContact CE1-CD1 4.17Å; F265-L645 HydrophobicContact CZ-CD1 3.75Å
266	G	86.4	Confident	82.8	Confident	4 Å²	4	34.1 Å²	34.1	4%	0.041	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-89.9	173.8	170.5	0	0	0	0	0	113.7	Y144 V230 P246	Y144-G266 WeakPolarHBondContact OH-CA 3.36Å; V230-G266 WeakPolarHBondContact CG2-O 3.5Å; P246-G266 PolarHBondContact O-N 3.06Å
267	N	84	Confident	84.1	Confident	21 Å²	21	29.8 Å²	29.8	11%	0.112	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-65.7	148.2	169.6	-75	11.1	0	0	0	110.6	Y144 E203 P246	Y144-N267 HydrophobicContact CD1-CB 3.88Å; Y144-N267 HydrophobicContact CE1-CB 3.95Å; Y144-N267 VanDerWaalsContact CE1-O 3.25Å; Y144-N267 WeakPolarHBondContact CE1-O 3.42Å; Y144-N267 HydrophobicContact CG-CB 4.4Å; E203-N267 PolarHBondContact O-ND2 3.14Å; P246-N267 WeakPolarHBondContact CD-O 3.14Å
268	I	87.7	Confident	85.3	Confident	35 Å²	35	26 Å²	26	18%	0.179	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-66.5	148.7	179.4	63.5	-179.8	0	0	0	112.2	V230 V243 V245 L270 F274	V230-I268 HydrophobicContact CG2-CG2 4.26Å; V243-I268 HydrophobicContact CG1-CB 4.38Å; V245-I268 HydrophobicContact CG2-CG2 4.22Å; I268-L270 HydrophobicContact CD1-CD2 4.44Å; I268-F274 HydrophobicContact CD1-CE2 4.46Å; I268-F274 HydrophobicContact CD1-CZ 3.78Å
269	I	90.3	Very high	86.4	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.7	174.3	-57.4	165.1	0	0	0	108	I145 L148 Y244 P246 L686 I689	I145-I269 HydrophobicContact CD1-CD1 4.35Å; I145-I269 HydrophobicContact CD1-CG2 3.89Å; I145-I269 HydrophobicContact CG1-CD1 3.78Å; I145-I269 HydrophobicContact CG1-CG1 4.27Å; I145-I269 HydrophobicContact CG1-CG2 4.48Å; L148-I269 HydrophobicContact CD1-CD1 3.87Å; Y244-I269 PolarHBondContact N-O 3.33Å; Y244-I269 PolarHBondContact O-N 2.74Å; P246-I269 HydrophobicContact CG-CD1 3.68Å; P246-I269 HydrophobicContact CG-CG1 4.36Å; I269-L686 HydrophobicContact CD1-CD1 4.13Å; I269-L686 HydrophobicContact CD1-CD2 4.18Å; I269-I689 HydrophobicContact CG2-CG2 3.69Å
270	L	89.1	Confident	87.1	Confident	8 Å²	8	20.9 Å²	20.9	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145	-174.2	-52.1	174.1	0	0	0	111	G242 V243 I268 S272 F274 F693	G242-L270 CarbonylContact O-C 3.58Å; G242-L270 WeakPolarHBondContact O-CA 3.38Å; V243-L270 HydrophobicContact CG1-CD2 4.29Å; V243-L270 HydrophobicContact CG2-CD2 3.95Å; I268-L270 HydrophobicContact CD1-CD2 4.44Å; L270-S272 WeakPolarHBondContact CB-O 3.37Å; L270-F274 HydrophobicContact CD1-CD1 4.49Å; L270-F274 HydrophobicContact CD1-CD2 3.96Å; L270-F274 HydrophobicContact CD1-CE1 4.25Å; L270-F274 HydrophobicContact CD1-CE2 3.69Å; L270-F274 HydrophobicContact CD1-CG 4.36Å; L270-F274 HydrophobicContact CD1-CZ 3.86Å; L270-F274 HydrophobicContact CD2-CE1 3.79Å; L270-F274 HydrophobicContact CD2-CE2 4.43Å; L270-F274 HydrophobicContact CD2-CZ 3.74Å; L270-F274 HydrophobicContact CG-CZ 4.42Å; L270-F693 HydrophobicContact CB-CD2 3.8Å; L270-F693 HydrophobicContact CB-CE2 3.91Å; L270-F693 HydrophobicContact CD1-CE2 4.01Å
271	T	87.5	Confident	87.4	Confident	24 Å²	24	22.2 Å²	22.2	15%	0.147	12%	0.116	C	C	.	.	S	Bend	trans	-76.5	-29.5	166	52.5	0	0	0	0	112.6	G242 Y244 I689 H692 F693 S696	G242-T271 WeakPolarHBondContact CA-OG1 3.41Å; G242-T271 PolarHBondContact O-N 2.99Å; G242-T271 PolarHBondContact O-OG1 3.47Å; Y244-T271 HydrophobicContact CE2-CG2 3.58Å; T271-I689 HydrophobicContact CG2-CG2 4.46Å; T271-H692 CarbonylContact O-C 3.49Å; T271-H692 PolarHBondContact O-ND1 3.27Å; T271-F693 WeakPolarHBondContact O-CA 3.38Å; T271-F693 PolarHBondContact O-N 3.21Å; T271-S696 PolarHBondContact O-OG 2.78Å
272	S	85.7	Confident	87.1	Confident	19 Å²	19	21.4 Å²	21.4	13%	0.133	11%	0.113	C	C	.	.	S	Bend	trans	-151.4	159.9	-171.4	49.2	0	0	0	0	110.8	L270	L270-S272 WeakPolarHBondContact CB-O 3.37Å
273	P	86.1	Confident	87	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.019	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-57.9	149.4	178.9	-27.8	36.9	0	0	0	113.1	M134 F693 S697 L700 T723	M134-P273 HydrophobicContact SD-CG 4.23Å; P273-F693 HydrophobicContact CG-CE2 4.44Å; P273-S697 WeakPolarHBondContact CG-OG 3.38Å; P273-L700 HydrophobicContact CB-CD2 3.68Å; P273-L700 HydrophobicContact CG-CD2 3.75Å; P273-T723 WeakPolarHBondContact O-CB 3.39Å; P273-T723 WeakPolarHBondContact O-CG2 3.31Å
274	F	84.8	Confident	86.6	Confident	41 Å²	41	21.3 Å²	21.3	18%	0.18	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-60.3	161.2	174.1	-75.6	-57.9	0	0	0	113	I268 L270 V278 R279 L282	I268-F274 HydrophobicContact CD1-CE2 4.46Å; I268-F274 HydrophobicContact CD1-CZ 3.78Å; L270-F274 HydrophobicContact CD1-CD1 4.49Å; L270-F274 HydrophobicContact CD1-CD2 3.96Å; L270-F274 HydrophobicContact CD1-CE1 4.25Å; L270-F274 HydrophobicContact CD1-CE2 3.69Å; L270-F274 HydrophobicContact CD1-CG 4.36Å; L270-F274 HydrophobicContact CD1-CZ 3.86Å; L270-F274 HydrophobicContact CD2-CE1 3.79Å; L270-F274 HydrophobicContact CD2-CE2 4.43Å; L270-F274 HydrophobicContact CD2-CZ 3.74Å; L270-F274 HydrophobicContact CG-CZ 4.42Å; F274-V278 HydrophobicContact CB-CB 3.97Å; F274-V278 HydrophobicContact CB-CG1 3.77Å; F274-V278 HydrophobicContact CD1-CG1 4.18Å; F274-V278 HydrophobicContact CD2-CG1 3.98Å; F274-V278 HydrophobicContact CG-CB 4.45Å; F274-V278 HydrophobicContact CG-CG1 3.75Å; F274-R279 HydrophobicContact CB-CG 4.02Å; F274-R279 VanDerWaalsContact O-CD 3.24Å; F274-R279 WeakPolarHBondContact O-CD 3.48Å; F274-R279 VanDerWaalsContact O-CG 3.22Å; F274-R279 WeakPolarHBondContact O-CG 3.5Å; F274-R279 PolarHBondContact O-NH1 2.86Å; F274-L282 HydrophobicContact CD2-CD1 3.55Å; F274-L282 HydrophobicContact CE2-CD1 3.76Å
275	P	81.6	Confident	86.1	Confident	62 Å²	62	19.6 Å²	19.6	40%	0.403	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-59.7	155.9	171	-24.6	35.3	0	0	0	113.5	R277 V278 R279	P275-R277 PolarHBondContact O-N 2.94Å; P275-V278 PolarHBondContact O-N 3.47Å; P275-R279 PolarHBondContact O-N 2.79Å
276	P	81.7	Confident	85.5	Confident	16 Å²	16	19.9 Å²	19.9	10%	0.104	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-38.2	-167.1	-25.4	34	0	0	0	115.2	V278 R279 A280 Y570 T723 V727	P276-V278 VanDerWaalsContact C-N 3.3Å; P276-V278 PolarHBondContact O-N 3.45Å; P276-R279 PolarHBondContact O-N 3.15Å; P276-A280 WeakPolarHBondContact O-CB 3.18Å; P276-A280 PolarHBondContact O-N 2.69Å; P276-Y570 PolarHBondContact O-OH 2.93Å; P276-T723 WeakPolarHBondContact CD-O 3.22Å; P276-T723 WeakPolarHBondContact CG-O 3.47Å; P276-V727 HydrophobicContact CB-CG2 3.83Å; P276-V727 HydrophobicContact CG-CG2 4.18Å
277	R	85.1	Confident	85.1	Confident	31 Å²	31	19.7 Å²	19.7	12%	0.117	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-36.4	176.8	-172.2	178.5	-61.8	-92.2	5.9	111.8	P275 R281 P568 Y570 E577 R728	P275-R277 PolarHBondContact O-N 2.94Å; R277-R281 WeakPolarHBondContact O-CB 3.4Å; R277-R281 PolarHBondContact O-N 3.3Å; R277-P568 PolarHBondContact NH1-O 3.25Å; R277-Y570 WeakPolarHBondContact CA-OH 3.41Å; R277-Y570 HydrophobicContact CB-CE2 4.22Å; R277-Y570 HydrophobicContact CG-CE2 4.13Å; R277-E577 IonicContact CZ-OE1 3.03Å; R277-E577 IonicContact CZ-OE2 2.69Å; R277-E577 IonicContact NH1-OE1 3.63Å; R277-E577 IonicContact NH1-OE2 2.92Å; R277-E577 PolarHBondContact NH1-OE2 3.28Å; R277-E577 VanDerWaalsContact NH2-CD 3.34Å; R277-E577 IonicContact NH2-OE1 2.89Å; R277-E577 PolarHBondContact NH2-OE1 3.47Å; R277-E577 IonicContact NH2-OE2 3.76Å; R277-E577 PolarHBondContact NH2-OE2 2.96Å; R277-R728 PolarHBondContact NH2-O 3.35Å; R277-R728 VanDerWaalsContact NH2-O 3.07Å
278	V	85	Confident	84.5	Confident	38 Å²	38	19.1 Å²	19.1	23%	0.23	10%	0.102	C	C	.	.	H	α-helix	trans	-75.4	-40.6	177.1	178.1	0	0	0	0	110.9	F274 P275 P276 R281 L282	F274-V278 HydrophobicContact CB-CB 3.97Å; F274-V278 HydrophobicContact CB-CG1 3.77Å; F274-V278 HydrophobicContact CD1-CG1 4.18Å; F274-V278 HydrophobicContact CD2-CG1 3.98Å; F274-V278 HydrophobicContact CG-CB 4.45Å; F274-V278 HydrophobicContact CG-CG1 3.75Å; P275-V278 PolarHBondContact O-N 3.47Å; P276-V278 VanDerWaalsContact C-N 3.3Å; P276-V278 PolarHBondContact O-N 3.45Å; V278-R281 PolarHBondContact O-N 3.03Å; V278-L282 HydrophobicContact CG1-CD1 3.9Å; V278-L282 HydrophobicContact CG1-CG 4.29Å; V278-L282 WeakPolarHBondContact O-CB 3.32Å; V278-L282 WeakPolarHBondContact O-CG 3.31Å; V278-L282 PolarHBondContact O-N 2.89Å
279	R	87.3	Confident	83.7	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-49.9	174.5	-65.7	-165.5	-48.6	-100.8	7.6	112	E130 L133 F274 P275 P276 R281 L282 F283 T723	E130-R279 VanDerWaalsContact CD-NE 3.32Å; E130-R279 IonicContact OE1-CZ 2.64Å; E130-R279 IonicContact OE1-NE 3.47Å; E130-R279 PolarHBondContact OE1-NE 2.89Å; E130-R279 VanDerWaalsContact OE1-NE 3.09Å; E130-R279 IonicContact OE1-NH2 3.5Å; E130-R279 PolarHBondContact OE1-NH2 3.21Å; E130-R279 WeakPolarHBondContact OE2-CD 3.45Å; E130-R279 IonicContact OE2-CZ 3.88Å; E130-R279 IonicContact OE2-NE 3.12Å; E130-R279 PolarHBondContact OE2-NE 2.86Å; E130-R279 IonicContact OE2-NH2 2.75Å; L133-R279 HydrophobicContact CD2-CB 3.6Å; L133-R279 HydrophobicContact CD2-CG 4.11Å; L133-R279 WeakPolarHBondContact CD2-O 3.46Å; F274-R279 HydrophobicContact CB-CG 4.02Å; F274-R279 VanDerWaalsContact O-CD 3.24Å; F274-R279 WeakPolarHBondContact O-CD 3.48Å; F274-R279 VanDerWaalsContact O-CG 3.22Å; F274-R279 WeakPolarHBondContact O-CG 3.5Å; F274-R279 PolarHBondContact O-NH1 2.86Å; P275-R279 PolarHBondContact O-N 2.79Å; P276-R279 PolarHBondContact O-N 3.15Å; R279-R281 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.3Å; R279-L282 PolarHBondContact O-N 3.27Å; R279-F283 WeakPolarHBondContact O-CB 3.39Å; R279-F283 PolarHBondContact O-N 3.21Å; R279-T723 PolarHBondContact NH1-O 3.35Å
280	A	87.7	Confident	82.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-43.3	175.5	0	0	0	0	0	112	L125 P276 Y284 P568 P606	L125-A280 HydrophobicContact CB-CB 4.38Å; P276-A280 WeakPolarHBondContact O-CB 3.18Å; P276-A280 PolarHBondContact O-N 2.69Å; A280-Y284 VanDerWaalsContact O-CD2 3.24Å; A280-Y284 WeakPolarHBondContact O-CD2 3.29Å; A280-Y284 PolarHBondContact O-N 2.97Å; A280-P568 HydrophobicContact CB-CB 3.99Å; A280-P568 HydrophobicContact CB-CG 3.81Å; A280-P606 HydrophobicContact CB-CB 4.17Å
281	R	87.9	Confident	81.7	Confident	42 Å²	42	18.9 Å²	18.9	16%	0.158	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-52.1	176.7	-159.1	-166.3	74.2	-140.1	-2.1	111.4	R277 V278 R279 F283 Y284 E285 I566 P568	R277-R281 WeakPolarHBondContact O-CB 3.4Å; R277-R281 PolarHBondContact O-N 3.3Å; V278-R281 PolarHBondContact O-N 3.03Å; R279-R281 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.3Å; R281-F283 PolarHBondContact O-N 3.49Å; R281-Y284 PolarHBondContact O-N 2.89Å; R281-E285 VanDerWaalsContact CD-OE1 3.27Å; R281-E285 WeakPolarHBondContact CD-OE1 3.45Å; R281-E285 HydrophobicContact CG-CG 4.28Å; R281-E285 WeakPolarHBondContact CG-OE1 3.29Å; R281-E285 IonicContact CZ-OE1 2.84Å; R281-E285 IonicContact CZ-OE2 3.53Å; R281-E285 IonicContact NE-OE1 3.51Å; R281-E285 PolarHBondContact NE-OE1 2.92Å; R281-E285 IonicContact NE-OE2 3.74Å; R281-E285 PolarHBondContact NE-OE2 3.43Å; R281-E285 IonicContact NH2-OE2 3.35Å; R281-E285 PolarHBondContact NH2-OE2 2.99Å; R281-E285 WeakPolarHBondContact O-CB 3.43Å; R281-E285 VanDerWaalsContact O-CG 3.27Å; R281-E285 WeakPolarHBondContact O-CG 3.32Å; R281-E285 PolarHBondContact O-N 2.92Å; R281-I566 WeakPolarHBondContact CD-O 3.23Å; R281-I566 HydrophobicContact CG-CB 3.94Å; R281-I566 HydrophobicContact CG-CG2 4.16Å; R281-I566 WeakPolarHBondContact CG-O 3.25Å; R281-P568 HydrophobicContact CB-CG 4.06Å
282	L	84.6	Confident	80.3	Confident	21 Å²	21	18 Å²	18	11%	0.11	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-42.3	-179.7	-71.7	170.8	0	0	0	112.5	F274 V278 R279 Y284 E285 S286	F274-L282 HydrophobicContact CD2-CD1 3.55Å; F274-L282 HydrophobicContact CE2-CD1 3.76Å; V278-L282 HydrophobicContact CG1-CD1 3.9Å; V278-L282 HydrophobicContact CG1-CG 4.29Å; V278-L282 WeakPolarHBondContact O-CB 3.32Å; V278-L282 WeakPolarHBondContact O-CG 3.31Å; V278-L282 PolarHBondContact O-N 2.89Å; R279-L282 PolarHBondContact O-N 3.27Å; L282-Y284 PolarHBondContact O-N 3.49Å; L282-E285 PolarHBondContact O-N 2.97Å; L282-S286 PolarHBondContact O-N 2.94Å; L282-S286 PolarHBondContact O-OG 3.4Å
283	F	87.3	Confident	78.9	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.3	-50.5	176	177.7	-86.5	0	0	0	111.5	L125 N129 L133 I196 R279 R281 L287	L125-F283 HydrophobicContact CD1-CB 4.28Å; L125-F283 HydrophobicContact CD1-CD1 3.72Å; L125-F283 HydrophobicContact CD1-CD2 4.44Å; L125-F283 HydrophobicContact CD1-CE1 4.23Å; L125-F283 HydrophobicContact CD1-CG 3.87Å; L125-F283 HydrophobicContact CD2-CB 3.85Å; L125-F283 HydrophobicContact CD2-CD2 4.17Å; L125-F283 HydrophobicContact CD2-CG 3.97Å; N129-F283 HydrophobicContact CB-CD2 4.04Å; N129-F283 HydrophobicContact CB-CE2 3.59Å; N129-F283 HydrophobicContact CB-CZ 3.89Å; N129-F283 WeakPolarHBondContact ND2-CZ 3.47Å; L133-F283 HydrophobicContact CD1-CB 4.48Å; I196-F283 HydrophobicContact CD1-CB 4.47Å; I196-F283 HydrophobicContact CD1-CD2 3.36Å; I196-F283 HydrophobicContact CD1-CE2 3.56Å; I196-F283 HydrophobicContact CD1-CG 3.99Å; I196-F283 HydrophobicContact CD1-CZ 4.33Å; I196-F283 HydrophobicContact CG1-CD2 4.2Å; I196-F283 HydrophobicContact CG1-CE2 3.88Å; I196-F283 HydrophobicContact CG1-CZ 4.32Å; R279-F283 WeakPolarHBondContact O-CB 3.39Å; R279-F283 PolarHBondContact O-N 3.21Å; R281-F283 PolarHBondContact O-N 3.49Å; F283-L287 PolarHBondContact O-N 2.99Å
284	Y	85.5	Confident	77.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75.8	-28.7	-179.2	-74.8	-64.1	0	0	0	113.1	L125 F190 A280 R281 L282 L287 V288 L604 P606 G609	L125-Y284 HydrophobicContact CD1-CE2 4Å; F190-Y284 HydrophobicContact CD1-CD1 4.1Å; A280-Y284 VanDerWaalsContact O-CD2 3.24Å; A280-Y284 WeakPolarHBondContact O-CD2 3.29Å; A280-Y284 PolarHBondContact O-N 2.97Å; R281-Y284 PolarHBondContact O-N 2.89Å; L282-Y284 PolarHBondContact O-N 3.49Å; Y284-L287 HydrophobicContact CD1-CD2 4.13Å; Y284-L287 HydrophobicContact CE1-CD2 4.35Å; Y284-L287 PolarHBondContact O-N 3.07Å; Y284-V288 WeakPolarHBondContact O-CG2 3.37Å; Y284-V288 PolarHBondContact O-N 2.96Å; Y284-L604 HydrophobicContact CD1-CD2 4.06Å; Y284-L604 HydrophobicContact CD2-CD1 3.5Å; Y284-L604 VanDerWaalsContact CD2-CD1 3.5Å; Y284-L604 HydrophobicContact CD2-CD2 4.2Å; Y284-L604 HydrophobicContact CE2-CD1 3.68Å; Y284-L604 HydrophobicContact CG-CD1 4.01Å; Y284-L604 HydrophobicContact CG-CD2 3.83Å; Y284-P606 PolarHBondContact OH-O 3.09Å; Y284-G609 WeakPolarHBondContact OH-CA 3.46Å; Y284-G609 PolarHBondContact OH-N 3.34Å
285	E	81	Confident	75.5	Confident	42 Å²	42	26.5 Å²	26.5	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-53	169.4	-77	168.9	160.7	0	0	110	R281 L282 L287 V288 K289 I566	R281-E285 VanDerWaalsContact CD-OE1 3.27Å; R281-E285 WeakPolarHBondContact CD-OE1 3.45Å; R281-E285 HydrophobicContact CG-CG 4.28Å; R281-E285 WeakPolarHBondContact CG-OE1 3.29Å; R281-E285 IonicContact CZ-OE1 2.84Å; R281-E285 IonicContact CZ-OE2 3.53Å; R281-E285 IonicContact NE-OE1 3.51Å; R281-E285 PolarHBondContact NE-OE1 2.92Å; R281-E285 IonicContact NE-OE2 3.74Å; R281-E285 PolarHBondContact NE-OE2 3.43Å; R281-E285 IonicContact NH2-OE2 3.35Å; R281-E285 PolarHBondContact NH2-OE2 2.99Å; R281-E285 WeakPolarHBondContact O-CB 3.43Å; R281-E285 VanDerWaalsContact O-CG 3.27Å; R281-E285 WeakPolarHBondContact O-CG 3.32Å; R281-E285 PolarHBondContact O-N 2.92Å; L282-E285 PolarHBondContact O-N 2.97Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.63Å; E285-V288 WeakPolarHBondContact O-CB 3.4Å; E285-V288 PolarHBondContact O-N 2.85Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.06Å; E285-K289 PolarHBondContact O-N 2.96Å; E285-K289 VanDerWaalsContact O-N 3.08Å; E285-I566 HydrophobicContact CG-CB 4Å; E285-I566 HydrophobicContact CG-CG1 3.74Å
286	S	78.7	Confident	73.6	Confident	8 Å²	8	25.9 Å²	25.9	6%	0.056	13%	0.125	C	C	.	.	H	α-helix	trans	-56.3	-37.6	173.8	-64.2	0	0	0	0	113.1	Y201 L282 K289 Q290	Y201-S286 VanDerWaalsContact CD2-OG 3.23Å; Y201-S286 WeakPolarHBondContact CD2-OG 3.45Å; Y201-S286 WeakPolarHBondContact CE2-OG 3.27Å; L282-S286 PolarHBondContact O-N 2.94Å; L282-S286 PolarHBondContact O-OG 3.4Å; S286-K289 WeakPolarHBondContact O-CB 3.25Å; S286-K289 PolarHBondContact O-N 3.32Å; S286-Q290 PolarHBondContact O-N 3.48Å; S286-Q290 VanDerWaalsContact O-N 3.1Å
287	L	78.3	Confident	71.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-40.4	174.9	-166.1	68.8	0	0	0	111.9	F190 K194 F283 Y284 E285 K289 Q290 L291	F190-L287 HydrophobicContact CD1-CD2 4.06Å; K194-L287 HydrophobicContact CB-CD1 3.88Å; K194-L287 HydrophobicContact CD-CD1 4.2Å; F283-L287 PolarHBondContact O-N 2.99Å; Y284-L287 HydrophobicContact CD1-CD2 4.13Å; Y284-L287 HydrophobicContact CE1-CD2 4.35Å; Y284-L287 PolarHBondContact O-N 3.07Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.63Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 2.76Å; L287-Q290 PolarHBondContact O-N 3.48Å; L287-L291 HydrophobicContact CD1-CD1 4.46Å; L287-L291 HydrophobicContact CD1-CG 4.4Å; L287-L291 HydrophobicContact CD2-CD1 4.32Å; L287-L291 HydrophobicContact CG-CD1 3.83Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.28Å
288	V	72.7	Confident	69.1	Low	9 Å²	9	34 Å²	34	6%	0.055	18%	0.176	C	C	.	.	H	α-helix	trans	-54.7	-47.4	170.6	172.3	0	0	0	0	110.3	F190 Y284 E285 L291 C292 I515 V564 I566	F190-V288 HydrophobicContact CE1-CG2 3.84Å; F190-V288 HydrophobicContact CZ-CG2 3.82Å; Y284-V288 WeakPolarHBondContact O-CG2 3.37Å; Y284-V288 PolarHBondContact O-N 2.96Å; E285-V288 WeakPolarHBondContact O-CB 3.4Å; E285-V288 PolarHBondContact O-N 2.85Å; V288-L291 PolarHBondContact O-N 2.72Å; V288-C292 WeakPolarHBondContact O-CB 3.41Å; V288-C292 PolarHBondContact O-N 3.28Å; V288-C292 PolarHBondContact O-SG 3.16Å; V288-I515 HydrophobicContact CG1-CD1 3.96Å; V288-V564 HydrophobicContact CG1-CG1 4.41Å; V288-I566 HydrophobicContact CG2-CD1 3.77Å; V288-I566 HydrophobicContact CG2-CG1 4.29Å
289	K	70.7	Confident	67	Low	24 Å²	24	35.2 Å²	35.2	10%	0.104	18%	0.181	C	C	.	.	H	α-helix	trans	-53.5	-60.3	178.7	-45.4	-169.9	-174.6	-131.5	0	109.7	E203 E285 S286 L287 L291 C292 F293 D513	E203-K289 IonicContact OE1-NZ 3.09Å; E203-K289 PolarHBondContact OE1-NZ 3.48Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.06Å; E285-K289 PolarHBondContact O-N 2.96Å; E285-K289 VanDerWaalsContact O-N 3.08Å; S286-K289 WeakPolarHBondContact O-CB 3.25Å; S286-K289 PolarHBondContact O-N 3.32Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 2.76Å; K289-L291 PolarHBondContact O-N 2.89Å; K289-C292 WeakPolarHBondContact O-CB 3.43Å; K289-C292 PolarHBondContact O-N 3.24Å; K289-C292 VanDerWaalsContact O-N 3.14Å; K289-F293 HydrophobicContact CB-CD2 4.49Å; K289-F293 HydrophobicContact CB-CE2 4.4Å; K289-F293 WeakPolarHBondContact O-CD2 3.21Å; K289-F293 PolarHBondContact O-N 3.12Å; K289-F293 VanDerWaalsContact O-N 3.15Å; K289-D513 WeakPolarHBondContact CB-OD1 3.23Å; K289-D513 WeakPolarHBondContact CD-OD2 3.42Å; K289-D513 WeakPolarHBondContact CE-OD2 3.35Å; K289-D513 VanDerWaalsContact CG-CG 3.46Å; K289-D513 WeakPolarHBondContact CG-OD1 3.48Å; K289-D513 WeakPolarHBondContact CG-OD2 3.38Å; K289-D513 IonicContact NZ-OD2 2.78Å; K289-D513 PolarHBondContact NZ-OD2 3.42Å
290	Q	71	Confident	64.5	Low	14 Å²	14	41.8 Å²	41.8	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-52.9	-50.8	-178.1	176.7	171.8	-6.4	0	0	112.8	Q195 Y200 S286 L287 C292 F293 E294	Q195-Q290 PolarHBondContact O-NE2 3.5Å; Q195-Q290 PolarHBondContact O-OE1 2.91Å; Y200-Q290 HydrophobicContact CD2-CB 3.53Å; Y200-Q290 HydrophobicContact CD2-CG 3.58Å; Y200-Q290 HydrophobicContact CE2-CB 4.14Å; Y200-Q290 HydrophobicContact CE2-CG 3.81Å; Y200-Q290 HydrophobicContact CG-CB 3.9Å; Y200-Q290 HydrophobicContact CG-CG 4.43Å; S286-Q290 PolarHBondContact O-N 3.48Å; S286-Q290 VanDerWaalsContact O-N 3.1Å; L287-Q290 PolarHBondContact O-N 3.48Å; Q290-C292 VanDerWaalsContact C-N 3.28Å; Q290-C292 PolarHBondContact O-N 2.76Å; Q290-F293 PolarHBondContact O-N 3.38Å; Q290-F293 VanDerWaalsContact O-N 3.07Å; Q290-E294 HydrophobicContact CG-CG 4.09Å; Q290-E294 VanDerWaalsContact CG-OE1 3.24Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.29Å; Q290-E294 PolarHBondContact NE2-OE1 2.6Å; Q290-E294 WeakPolarHBondContact O-CG 3.43Å; Q290-E294 PolarHBondContact O-N 3.01Å
291	L	65	Low	61.9	Low	1 Å²	1	48 Å²	48	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-29.4	-177.3	-61.2	172.7	0	0	0	113.1	P185 M189 F190 K194 L287 V288 K289	P185-L291 HydrophobicContact CB-CB 3.86Å; P185-L291 HydrophobicContact CB-CD1 4.19Å; P185-L291 HydrophobicContact CG-CB 4.14Å; P185-L291 HydrophobicContact CG-CD1 4.4Å; M189-L291 HydrophobicContact CB-CD1 3.72Å; M189-L291 HydrophobicContact CB-CD2 4.17Å; M189-L291 HydrophobicContact CB-CG 4.46Å; M189-L291 HydrophobicContact CE-CB 4.49Å; M189-L291 HydrophobicContact CE-CD2 4.02Å; F190-L291 HydrophobicContact CE1-CD1 4.44Å; F190-L291 HydrophobicContact CZ-CD1 4.42Å; K194-L291 HydrophobicContact CD-CD2 4.09Å; L287-L291 HydrophobicContact CD1-CD1 4.46Å; L287-L291 HydrophobicContact CD1-CG 4.4Å; L287-L291 HydrophobicContact CD2-CD1 4.32Å; L287-L291 HydrophobicContact CG-CD1 3.83Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.28Å; V288-L291 PolarHBondContact O-N 2.72Å; K289-L291 PolarHBondContact O-N 2.89Å
292	C	59.7	Low	59.3	Low	6 Å²	6	54.8 Å²	54.8	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-73.1	-30.5	173.7	-67.6	0	0	0	0	112.6	Y182 V288 K289 Q290	Y182-C292 HydrophobicContact CD1-CB 3.77Å; Y182-C292 HydrophobicContact CE1-CB 4.48Å; Y182-C292 HydrophobicContact CG-CB 4.35Å; V288-C292 WeakPolarHBondContact O-CB 3.41Å; V288-C292 PolarHBondContact O-N 3.28Å; V288-C292 PolarHBondContact O-SG 3.16Å; K289-C292 WeakPolarHBondContact O-CB 3.43Å; K289-C292 PolarHBondContact O-N 3.24Å; K289-C292 VanDerWaalsContact O-N 3.14Å; Q290-C292 VanDerWaalsContact C-N 3.28Å; Q290-C292 PolarHBondContact O-N 2.76Å
293	F	55.4	Low	56.9	Low	44 Å²	44	58.3 Å²	58.3	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-87.5	-38.2	-179.2	-74.8	-66.8	0	0	0	114.2	Y182 Y200 K289 Q290 H295 A494	Y182-F293 AromaticContact CE1-CD1 3.82Å; Y182-F293 HydrophobicContact CE1-CD1 3.82Å; Y182-F293 AromaticContact CE1-CE1 3.57Å; Y182-F293 HydrophobicContact CE1-CE1 3.57Å; Y182-F293 HydrophobicContact CE1-CG 4.49Å; Y182-F293 HydrophobicContact CE1-CZ 4.03Å; Y182-F293 AromaticContact CZ-CE1 3.8Å; Y182-F293 WeakPolarHBondContact OH-CE1 3.5Å; Y182-F293 WeakPolarHBondContact OH-CZ 3.41Å; Y200-F293 HydrophobicContact CD1-CB 4.18Å; Y200-F293 AromaticContact CD1-CD2 3.48Å; Y200-F293 HydrophobicContact CD1-CD2 3.48Å; Y200-F293 VanDerWaalsContact CD1-CD2 3.48Å; Y200-F293 HydrophobicContact CD1-CE2 4.22Å; Y200-F293 HydrophobicContact CD1-CG 4.09Å; Y200-F293 HydrophobicContact CE1-CB 3.31Å; Y200-F293 AromaticContact CE1-CD2 3.43Å; Y200-F293 HydrophobicContact CE1-CD2 3.43Å; Y200-F293 VanDerWaalsContact CE1-CD2 3.43Å; Y200-F293 HydrophobicContact CE1-CE2 4.41Å; Y200-F293 AromaticContact CE1-CG 3.53Å; Y200-F293 HydrophobicContact CE1-CG 3.53Å; K289-F293 HydrophobicContact CB-CD2 4.49Å; K289-F293 HydrophobicContact CB-CE2 4.4Å; K289-F293 WeakPolarHBondContact O-CD2 3.21Å; K289-F293 PolarHBondContact O-N 3.12Å; K289-F293 VanDerWaalsContact O-N 3.15Å; Q290-F293 PolarHBondContact O-N 3.38Å; Q290-F293 VanDerWaalsContact O-N 3.07Å; F293-H295 PolarHBondContact O-N 3.31Å; F293-A494 HydrophobicContact CE1-CB 4.02Å; F293-A494 HydrophobicContact CZ-CB 4.46Å
294	E	52.6	Low	54.1	Low	95 Å²	95	64.9 Å²	64.9	44%	0.444	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-26	-177.1	-77.2	177.9	169.3	0	0	113.5	Q290 N296	Q290-E294 HydrophobicContact CG-CG 4.09Å; Q290-E294 VanDerWaalsContact CG-OE1 3.24Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.29Å; Q290-E294 PolarHBondContact NE2-OE1 2.6Å; Q290-E294 WeakPolarHBondContact O-CG 3.43Å; Q290-E294 PolarHBondContact O-N 3.01Å; E294-N296 PolarHBondContact O-N 3.32Å; E294-N296 VanDerWaalsContact O-N 3.08Å
295	H	46.5	Very low	51.3	Low	101 Å²	101	69.8 Å²	69.8	47%	0.468	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	1.6	-167.3	-118.9	-48.2	0	0	0	116.5	M189 F293	M189-H295 VanDerWaalsContact CE-CD2 3.5Å; M189-H295 WeakPolarHBondContact CE-CD2 3.44Å; M189-H295 VanDerWaalsContact CE-NE2 3.33Å; M189-H295 WeakPolarHBondContact CE-NE2 3.45Å; F293-H295 PolarHBondContact O-N 3.31Å
296	N	41.5	Very low	48.8	Very low	50 Å²	50	71.3 Å²	71.3	27%	0.267	37%	0.367	S	S	.	.			trans	-109	38.4	-170.3	-68.4	-27.5	0	0	0	114.1	E294 D298	E294-N296 PolarHBondContact O-N 3.32Å; E294-N296 VanDerWaalsContact O-N 3.08Å; N296-D298 VanDerWaalsContact C-N 3.31Å; N296-D298 PolarHBondContact O-N 3.04Å
297	S	36.2	Very low	46.4	Very low	81 Å²	81	78.4 Å²	78.4	57%	0.566	40%	0.403	S	S	*	.	S	Bend	trans	-61.2	-38.5	172.8	50.9	0	0	0	0	113
298	D	37.6	Very low	44	Very low	136 Å²	136	82.8 Å²	82.8	73%	0.727	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-92.2	-26.3	-162.8	-60.6	4.7	0	0	0	112.8	N296 Q300	N296-D298 VanDerWaalsContact C-N 3.31Å; N296-D298 PolarHBondContact O-N 3.04Å; D298-Q300 PolarHBondContact O-N 2.89Å
299	D	40.3	Very low	41.7	Very low	64 Å²	64	87.8 Å²	87.8	34%	0.342	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-76.6	-1.6	175	-81.1	-56.2	0	0	0	113.1	E301 R302 L303	D299-E301 PolarHBondContact O-N 2.73Å; D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 WeakPolarHBondContact OD1-CD 3.34Å; D299-R302 IonicContact OD1-CZ 2.89Å; D299-R302 IonicContact OD1-NE 3.03Å; D299-R302 IonicContact OD1-NH1 2.78Å; D299-R302 PolarHBondContact OD1-NH1 2.93Å; D299-L303 PolarHBondContact O-N 2.84Å
300	Q	35.2	Very low	39.7	Very low	140 Å²	140	94.3 Å²	94.3	65%	0.654	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-63.2	-22.6	177.1	-136.9	-178.9	62.7	0	0	113.2	D298	D298-Q300 PolarHBondContact O-N 2.89Å
301	E	31.3	Very low	37.6	Very low	130 Å²	130	104 Å²	104	61%	0.607	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-41.3	171	-70.4	-101.7	95.5	0	0	112	D299 L303 K304	D299-E301 PolarHBondContact O-N 2.73Å; E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 3.17Å; E301-K304 WeakPolarHBondContact O-CB 3.26Å; E301-K304 PolarHBondContact O-N 2.79Å; E301-K304 IonicContact OE1-NZ 3.55Å; E301-K304 PolarHBondContact OE1-NZ 3.38Å
302	R	33.4	Very low	35.9	Very low	185 Å²	185	109.5 Å²	109.5	70%	0.698	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-67.9	-33	179.8	-80.4	159.7	166	175.8	-1.3	112.7	D299 K304 C305	D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 WeakPolarHBondContact OD1-CD 3.34Å; D299-R302 IonicContact OD1-CZ 2.89Å; D299-R302 IonicContact OD1-NE 3.03Å; D299-R302 IonicContact OD1-NH1 2.78Å; D299-R302 PolarHBondContact OD1-NH1 2.93Å; R302-K304 PolarHBondContact O-N 2.67Å; R302-C305 WeakPolarHBondContact O-CB 3.43Å; R302-C305 PolarHBondContact O-N 3.48Å
303	L	34.3	Very low	34.4	Very low	95 Å²	95	116.5 Å²	116.5	50%	0.497	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-61	-24.4	174	-80.5	161	0	0	0	113.3	D299 E301 C305 A306	D299-L303 PolarHBondContact O-N 2.84Å; E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 3.17Å; L303-C305 VanDerWaalsContact C-N 3.27Å; L303-C305 PolarHBondContact O-N 3.17Å; L303-A306 PolarHBondContact O-N 3.1Å
304	K	28.5	Very low	33.1	Very low	137 Å²	137	121.4 Å²	121.4	60%	0.596	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-66.4	-27.6	172.8	-60.9	172.6	-173.6	165.2	0	112.6	E301 R302	E301-K304 WeakPolarHBondContact O-CB 3.26Å; E301-K304 PolarHBondContact O-N 2.79Å; E301-K304 IonicContact OE1-NZ 3.55Å; E301-K304 PolarHBondContact OE1-NZ 3.38Å; R302-K304 PolarHBondContact O-N 2.67Å
305	C	27.3	Very low	31.7	Very low	104 Å²	104	125.1 Å²	125.1	70%	0.703	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-82.8	-8.1	-179.7	-68.9	0	0	0	0	114.3	R302 L303 S308	R302-C305 WeakPolarHBondContact O-CB 3.43Å; R302-C305 PolarHBondContact O-N 3.48Å; L303-C305 VanDerWaalsContact C-N 3.27Å; L303-C305 PolarHBondContact O-N 3.17Å; C305-S308 PolarHBondContact O-OG 3.25Å
306	A	28.7	Very low	30.7	Very low	74 Å²	74	128.5 Å²	128.5	61%	0.612	67%	0.669	S	S	*	*	S	Bend	trans	-97.3	-10.7	177.8	0	0	0	0	0	114	L303 S308	L303-A306 PolarHBondContact O-N 3.1Å; A306-S308 VanDerWaalsContact C-N 3.31Å; A306-S308 PolarHBondContact O-N 3.11Å
307	L	28.2	Very low	29.9	Very low	156 Å²	156	133.3 Å²	133.3	82%	0.817	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	9.8	-175.9	-82	162.2	0	0	0	114.4
308	S	27.2	Very low	29.3	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	1	-169.5	48.2	0	0	0	0	115.7	C305 A306	C305-S308 PolarHBondContact O-OG 3.25Å; A306-S308 VanDerWaalsContact C-N 3.31Å; A306-S308 PolarHBondContact O-N 3.11Å
309	T	26.1	Very low	28.9	Very low	115 Å²	115	136.3 Å²	136.3	71%	0.706	71%	0.711	S	S	*	*			trans	-144.5	92	-179.7	18.1	0	0	0	0	113.4
310	N	28.7	Very low	28.1	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	73%	0.73	S	S	*	*			trans	-176.7	97.2	135.3	-95.9	-33.3	0	0	0	111.5
311	K	26.9	Very low	27.9	Very low	216 Å²	216	136.6 Å²	136.6	94%	0.939	73%	0.731	S	S	*	*			trans	-90.5	109.3	167	-77.7	-177.8	175.4	-179.7	0	109.6
312	V	27.8	Very low	27.6	Very low	117 Å²	117	142 Å²	142	71%	0.709	75%	0.746	S	S	*	*			trans	-142.1	110.3	164.8	-178.5	0	0	0	0	110.6
313	I	29.8	Very low	27.1	Very low	153 Å²	153	138.6 Å²	138.6	79%	0.785	75%	0.746	S	S	*	*			trans	40.2	108.4	141.4	-53.4	172.4	0	0	0	116.2
314	E	26.1	Very low	26.6	Very low	148 Å²	148	142.9 Å²	142.9	69%	0.692	77%	0.769	S	S	*	*			cis	76.9	137.6	43.4	-150.8	-160	-112.3	0	0	115.2
315	K	24.9	Very low	26.3	Very low	173 Å²	173	146.6 Å²	146.6	75%	0.752	78%	0.779	S	S	*	*			trans	71.9	110.4	173.5	-54.9	-172.6	174.9	84.2	0	118.4
316	I	25.7	Very low	26.1	Very low	172 Å²	172	146.3 Å²	146.3	88%	0.882	78%	0.778	S	S	*	*				-152.1	152.2	119.1	-99.3	156	0	0	0	107.3
317	N	24.2	Very low	25.9	Very low	151 Å²	151	149 Å²	149	81%	0.807	79%	0.791	S	S	*	*			trans	-75.1	143.5	-160	-69.9	-41.3	0	0	0	115.3
318	I	24	Very low	25.6	Very low	171 Å²	171	147.6 Å²	147.6	88%	0.877	79%	0.789	S	S	*	*			trans	-90.2	120.9	158.3	-60.3	170.4	0	0	0	107.6
319	S	27.6	Very low	25.6	Very low	108 Å²	108	152.9 Å²	152.9	76%	0.755	80%	0.8	S	S	*	*			trans	-140.1	50.5	177.2	66.9	0	0	0	0	115
320	S	24.9	Very low	25.4	Very low	106 Å²	106	151.7 Å²	151.7	74%	0.741	80%	0.803	S	S	*	*			trans	70.1	174	136.1	-134.2	0	0	0	0	117.6
321	P	29.6	Very low	25.3	Very low	105 Å²	105	152.6 Å²	152.6	68%	0.682	80%	0.801	S	S	*	*				-134.7	171.5	-82.5	41.5	-27.5	0	0	0	114.3
322	R	25.2	Very low	25.1	Very low	243 Å²	243	150.8 Å²	150.8	92%	0.917	80%	0.796	S	S	*	*			trans	-167.1	116.4	132.3	-107.1	153.4	-173.2	175.5	2	115
323	T	23	Very low	25.1	Very low	113 Å²	113	156.6 Å²	156.6	69%	0.693	81%	0.807	S	S	*	*			trans	-30.2	141.6	153.1	47.8	0	0	0	0	117.3
324	L	24.1	Very low	24.8	Very low	186 Å²	186	152.2 Å²	152.2	97%	0.974	80%	0.8	S	S	*	*				-122.6	152.9	125.5	-97.2	171.2	0	0	0	109.1
325	R	22.9	Very low	24.7	Very low	214 Å²	214	153.6 Å²	153.6	81%	0.808	81%	0.811	S	S	*	*			trans	-121.9	129	-159.1	-120.4	-176	-175	177.4	0.4	112.6
326	S	23.3	Very low	24.6	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	81%	0.806	S	S	*	*			trans	37.4	133.7	135.9	63.3	0	0	0	0	121.2
327	C	23.4	Very low	24.5	Very low	132 Å²	132	147.3 Å²	147.3	89%	0.892	80%	0.799	S	S	*	*			trans	-142.2	128.5	139.7	-158.8	0	0	0	0	110.4
328	T	22.9	Very low	24.6	Very low	126 Å²	126	146.7 Å²	146.7	77%	0.773	80%	0.796	S	S	*	*			trans	-136.9	132.9	-177.6	40.7	0	0	0	0	111.8
329	K	25.8	Very low	24.6	Very low	202 Å²	202	146.4 Å²	146.4	88%	0.878	79%	0.788	S	S	*	*			trans	-151.6	129.3	157.5	-74.8	-172.3	176.8	178.8	0	106.2
330	A	22.5	Very low	24.5	Very low	91 Å²	91	147.7 Å²	147.7	75%	0.752	79%	0.786	S	S	*	*			cis	84.1	85.6	17.6	0	0	0	0	0	116
331	Q	26.4	Very low	24.6	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	79%	0.785	S	S	*	*			trans	-174.4	115.1	151.1	-101.7	166	-28	0	0	104.4
332	E	23.8	Very low	24.9	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	79%	0.785	S	S	*	*				65.7	94.8	50.8	-66.2	-158	135.3	0	0	114.9
333	Y	26.9	Very low	25	Very low	239 Å²	239	143.5 Å²	143.5	94%	0.937	78%	0.778	S	S	*	*			trans	174.9	143.4	142.2	-83.4	-61.4	0	0	0	106.9
334	G	24	Very low	25.3	Very low	61 Å²	61	146.7 Å²	146.7	63%	0.629	79%	0.785	S	S	*	*			cis	146.9	107.5	-12.5	0	0	0	0	0	113.1
335	L	22.7	Very low	25.5	Very low	177 Å²	177	142.1 Å²	142.1	93%	0.927	77%	0.774	S	S	*	*			trans	67	162.3	167	-57.5	166	0	0	0	115.6
336	S	23.3	Very low	25.8	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	77%	0.774	S	S	*	*			cis	-167.8	142.1	-26.1	52	0	0	0	0	112.3
337	V	23.2	Very low	26	Very low	121 Å²	121	139 Å²	139	73%	0.733	77%	0.772	S	S	*	*			trans	33.8	137.1	139.1	-166.3	0	0	0	0	121.2
338	N	26.3	Very low	26.4	Very low	139 Å²	139	139 Å²	139	74%	0.743	76%	0.763	S	S	*	*			trans	104.1	154.3	165.8	-65.5	-61.5	0	0	0	115.9
339	K	25.2	Very low	26.6	Very low	165 Å²	165	138.2 Å²	138.2	72%	0.717	76%	0.758	S	S	*	*			cis	-179.9	148.6	-34.6	-142	-172.7	-179.8	-176.2	0	107.9
340	L	25.2	Very low	26.6	Very low	135 Å²	135	135.3 Å²	135.3	71%	0.707	75%	0.752	S	S	*	*			trans	65.4	161.8	164.6	-57.4	167.2	0	0	0	114.5
341	D	26.9	Very low	27	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	76%	0.755	S	S	*	*			cis	-147.7	177.1	-8.9	-115.3	-18.3	0	0	0	109.8
342	P	35.5	Very low	27	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	75%	0.749	S	S	*	*			trans	-114.2	-162.6	-165.1	43.3	-36.2	0	0	0	115.1
343	T	27.1	Very low	27.1	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	75%	0.752	S	S	*	*			trans	112.9	149.1	152.6	-32.3	0	0	0	0	117
344	E	30.9	Very low	26.9	Very low	180 Å²	180	133.1 Å²	133.1	84%	0.841	74%	0.737	S	S	*	*			trans	97.2	108.4	169	-56.2	-175.9	177	0	0	114.8
345	A	28	Very low	27.1	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	75%	0.749	S	S	*	*				83.9	142.7	52.4	0	0	0	0	0	112
346	L	28.5	Very low	27.2	Very low	156 Å²	156	135.5 Å²	135.5	82%	0.817	74%	0.735	S	S	*	*			cis	-142.2	153.7	19.3	-72.3	162.5	0	0	0	112.6
347	S	27.9	Very low	27.6	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	74%	0.743	S	S	*	*				54	165.1	128	87.7	0	0	0	0	122.5
348	D	30.7	Very low	27.7	Very low	130 Å²	130	139.3 Å²	139.3	70%	0.695	74%	0.743	S	S	*	*			cis	-151.2	154.8	11.8	-100.6	-49.9	0	0	0	112.9
349	T	28	Very low	27.9	Very low	110 Å²	110	138.9 Å²	138.9	68%	0.675	74%	0.736	S	S	*	*			trans	34.4	155.9	142.9	68.3	0	0	0	0	123.8
350	D	26.4	Very low	28	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	74%	0.738	S	S	*	*			cis	-173.2	-162.7	-22.8	-98.8	-35.6	0	0	0	109.1
351	D	30.6	Very low	28.1	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	74%	0.738	S	S	*	*			trans	71.7	102.4	170.9	-59.8	-22.5	0	0	0	116.8
352	E	26.3	Very low	28.3	Very low	151 Å²	151	138.4 Å²	138.4	71%	0.706	74%	0.735	S	S	*	*				63.3	123	71.3	-77	-124.4	137.1	0	0	116	R354	E352-R354 IonicContact OE1-NH1 3.71Å; E352-R354 PolarHBondContact OE1-NH1 2.88Å
353	L	26.5	Very low	28	Very low	172 Å²	172	140 Å²	140	90%	0.901	74%	0.738	S	S	*	*				-166.1	132.1	123.5	-106.7	168.5	0	0	0	111.7
354	R	22.9	Very low	28.1	Very low	167 Å²	167	140.4 Å²	140.4	63%	0.63	74%	0.735	S	S	*	*			trans	-91	158	169.8	-72	177.6	169.6	77.8	-3.2	111	E352	E352-R354 IonicContact OE1-NH1 3.71Å; E352-R354 PolarHBondContact OE1-NH1 2.88Å
355	I	26.7	Very low	28.1	Very low	173 Å²	173	139.5 Å²	139.5	89%	0.887	73%	0.731	S	S	*	*			trans	-134.4	112.1	143	-60.8	-176.8	0	0	0	107.8
356	D	25.7	Very low	28.2	Very low	115 Å²	115	141 Å²	141	62%	0.615	74%	0.736	S	S	*	*			trans	-83.6	167.6	166.5	-61.9	-71.7	0	0	0	110.6
357	L	30.5	Very low	28.1	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	73%	0.734	S	S	*	*			trans	173	104.9	134.3	-92.9	165.8	0	0	0	110.5
358	D	26.8	Very low	28.2	Very low	137 Å²	137	143.6 Å²	143.6	73%	0.733	74%	0.743	S	S	*	*				25.8	143.8	115	-67	-30.4	0	0	0	118.9
359	E	29	Very low	28	Very low	129 Å²	129	145.5 Å²	145.5	60%	0.603	75%	0.748	S	S	*	*			cis	-171.5	162.6	40.4	-140.4	-169.3	157.9	0	0	112
360	R	28	Very low	27.8	Very low	199 Å²	199	145.5 Å²	145.5	75%	0.751	75%	0.752	S	S	*	*			trans	64.7	153.8	153.2	-69.5	174.4	-159.2	159.4	17	121.3
361	D	27.8	Very low	27.8	Very low	133 Å²	133	144.7 Å²	144.7	71%	0.711	76%	0.758	S	S	*	*			cis	-169.1	175.9	-35.2	-140.2	-42.7	0	0	0	110.6
362	S	31.6	Very low	27.5	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	76%	0.762	S	S	*	*			trans	67.1	115.3	172.3	63.4	0	0	0	0	116.5
363	N	28.1	Very low	27.4	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	76%	0.763	S	S	*	*				68.6	121	67.5	-61.3	-31	0	0	0	111.6
364	D	30.2	Very low	27.2	Very low	131 Å²	131	140.8 Å²	140.8	70%	0.701	76%	0.759	S	S	*	*				-159.5	168.7	64.8	-134.9	7.7	0	0	0	118
365	H	30.4	Very low	27.3	Very low	162 Å²	162	138.4 Å²	138.4	75%	0.75	77%	0.767	S	S	*	*			trans	-31.3	153.8	174.4	-49.6	-45.5	0	0	0	118.7
366	S	29.2	Very low	27.1	Very low	122 Å²	122	134.2 Å²	134.2	85%	0.853	75%	0.746	S	S	*	*			cis	-166.1	164.3	38.5	52.5	0	0	0	0	113.7
367	S	26.5	Very low	27	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	76%	0.76	S	S	*	*			trans	-114.4	154.2	-176	60	0	0	0	0	114.3
368	K	30.9	Very low	26.7	Very low	192 Å²	192	130.7 Å²	130.7	84%	0.835	75%	0.749	S	S	*	*			trans	-159.4	100.8	152.9	-105	154.4	-171.5	172.2	0	108
369	Q	26	Very low	26.5	Very low	169 Å²	169	130.3 Å²	130.3	79%	0.79	75%	0.747	S	S	*	*				58.1	90.3	96.9	-72.4	-175.3	-23	0	0	112.1
370	S	24.3	Very low	26.3	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	75%	0.749	S	S	*	*				81.6	110.6	65.4	73.5	0	0	0	0	114.5
371	S	27	Very low	26.2	Very low	124 Å²	124	122.6 Å²	122.6	87%	0.867	74%	0.737	S	S	*	*			trans	-144.3	124.9	147.8	49.6	0	0	0	0	108.2
372	S	23.5	Very low	26.2	Very low	129 Å²	129	118.9 Å²	118.9	90%	0.902	72%	0.717	S	S	*	*			trans	-96.7	123.9	-176	41	0	0	0	0	110.7
373	S	24.5	Very low	25.9	Very low	103 Å²	103	119.5 Å²	119.5	72%	0.72	71%	0.708	S	S	*	*			trans	-123.5	115.1	166.9	59.5	0	0	0	0	109.6	C375	S373-C375 PolarHBondContact O-N 3.26Å
374	I	22.2	Very low	25.9	Very low	160 Å²	160	114.8 Å²	114.8	82%	0.821	69%	0.685	S	S	*	*			trans	-48.4	128.2	177	-62.4	155.2	0	0	0	110.5
375	C	23.7	Very low	25.8	Very low	116 Å²	116	110.9 Å²	110.9	78%	0.784	67%	0.666	S	S	*	*			trans	-125.3	130.8	167.1	-76.5	0	0	0	0	109.2	S373	S373-C375 PolarHBondContact O-N 3.26Å
376	N	23.5	Very low	25.7	Very low	86 Å²	86	104.8 Å²	104.8	46%	0.46	64%	0.64	S	S	.	*			trans	-70.2	156.6	-178.7	-61.2	-39.9	0	0	0	111.6	G378	N376-G378 VanDerWaalsContact C-N 3.31Å; N376-G378 PolarHBondContact O-N 3.28Å
377	P	23.5	Very low	25.8	Very low	141 Å²	141	100.3 Å²	100.3	92%	0.916	61%	0.608	S	S	*	*			trans	-68.3	87.7	169	29.5	-34.6	0	0	0	110.2
378	G	23.5	Very low	25.9	Very low	56 Å²	56	97.8 Å²	97.8	58%	0.577	58%	0.584	S	S	*	*			trans	-102.7	119.4	-172.3	0	0	0	0	0	114.2	N376	N376-G378 VanDerWaalsContact C-N 3.31Å; N376-G378 PolarHBondContact O-N 3.28Å
379	N	23.8	Very low	25.8	Very low	129 Å²	129	90 Å²	90	69%	0.69	55%	0.549	S	S	*	.			trans	47.6	87	152.2	-58	-10	0	0	0	117.5
380	V	23.5	Very low	26	Very low	108 Å²	108	83 Å²	83	66%	0.655	52%	0.519	S	S	*	.			trans	-78.3	118.1	154	-173.1	0	0	0	0	107.9	E188	E188-V380 VanDerWaalsContact OE1-CG1 3.24Å; E188-V380 WeakPolarHBondContact OE1-CG1 3.3Å
381	A	25.8	Very low	26.3	Very low	59 Å²	59	79.8 Å²	79.8	49%	0.488	49%	0.494	S	S	.	.			trans	-108.8	134.1	176.3	0	0	0	0	0	109.6	F383	A381-F383 WeakPolarHBondContact O-CD2 3.38Å; A381-F383 WeakPolarHBondContact O-CE2 3.4Å
382	N	28.3	Very low	26.3	Very low	54 Å²	54	79 Å²	79	29%	0.289	48%	0.48	S	S	.	.			trans	-72.9	141.4	-172.7	-81	-114.1	0	0	0	111.6	S186 I187 E188	S186-N382 WeakPolarHBondContact CB-OD1 3.14Å; I187-N382 PolarHBondContact N-OD1 3.35Å; I187-N382 VanDerWaalsContact N-OD1 3.15Å; E188-N382 VanDerWaalsContact CD-ND2 3.34Å; E188-N382 PolarHBondContact OE2-ND2 2.87Å
383	F	25.5	Very low	26.5	Very low	110 Å²	110	79.8 Å²	79.8	48%	0.482	47%	0.468	S	S	.	.			trans	-117.6	119	171.6	-67.7	-85.8	0	0	0	109.8	I187 A381	I187-F383 VanDerWaalsContact CD1-O 3.28Å; I187-F383 WeakPolarHBondContact CD1-O 3.46Å; A381-F383 WeakPolarHBondContact O-CD2 3.38Å; A381-F383 WeakPolarHBondContact O-CE2 3.4Å
384	C	27.9	Very low	26.6	Very low	40 Å²	40	83.5 Å²	83.5	27%	0.27	47%	0.474	S	S	.	.			trans	-124.9	143.5	167.3	-157.5	0	0	0	0	109.4	I187	I187-C384 HydrophobicContact CD1-CB 3.95Å
385	T	27.5	Very low	26.8	Very low	49 Å²	49	84.3 Å²	84.3	30%	0.301	47%	0.474	S	S	.	.			trans	-97.5	108.1	169.5	-60.1	0	0	0	0	107.8	V387 G759	T385-V387 HydrophobicContact CG2-CG2 4.23Å; T385-G759 PolarHBondContact OG1-O 2.9Å
386	V	28.9	Very low	27	Very low	33 Å²	33	87 Å²	87	20%	0.2	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.9	168.5	176.5	0	0	0	0	107.6	H536 W537	V386-H536 WeakPolarHBondContact CG2-O 3.38Å; V386-W537 HydrophobicContact CG2-CE3 4.42Å
387	V	30.7	Very low	27	Very low	29 Å²	29	89.9 Å²	89.9	18%	0.176	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.9	175.5	-179.8	0	0	0	0	109	T385 P438 L613	T385-V387 HydrophobicContact CG2-CG2 4.23Å; V387-P438 HydrophobicContact CG1-CB 4.29Å; V387-L613 HydrophobicContact CB-CD1 4.45Å; V387-L613 HydrophobicContact CG2-CD1 3.83Å
388	E	28.6	Very low	27.2	Very low	56 Å²	56	88.9 Å²	88.9	26%	0.262	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.4	177.5	-169.1	-168.1	-130	0	0	109.2	S390 R439 P538	E388-S390 VanDerWaalsContact CD-CB 3.49Å; E388-S390 PolarHBondContact O-N 3.41Å; E388-S390 WeakPolarHBondContact OE2-CB 3.09Å; E388-S390 PolarHBondContact OE2-OG 3.08Å; E388-R439 PolarHBondContact O-N 3.36Å; E388-P538 HydrophobicContact CG-CB 4.28Å; E388-P538 WeakPolarHBondContact OE1-CB 3.1Å
389	R	30.6	Very low	27.3	Very low	29 Å²	29	93.6 Å²	93.6	11%	0.109	49%	0.494	C	S	.	.			trans	-82.5	49.3	174.6	-75.9	-173.9	164.3	168.3	-6.8	111.1	P438 Y626 D733	R389-P438 HydrophobicContact CG-CB 4.25Å; R389-P438 HydrophobicContact CG-CG 4.2Å; R389-Y626 PolarHBondContact NH1-OH 2.88Å; R389-D733 IonicContact NH2-OD1 2.74Å; R389-D733 IonicContact NH2-OD2 3.06Å; R389-D733 PolarHBondContact NH2-OD2 2.78Å
390	S	28.9	Very low	27.3	Very low	21 Å²	21	92.7 Å²	92.7	15%	0.147	50%	0.498	C	S	.	.			trans	-79.5	131.3	-171.4	45.7	0	0	0	0	114.5	E388	E388-S390 VanDerWaalsContact CD-CB 3.49Å; E388-S390 PolarHBondContact O-N 3.41Å; E388-S390 WeakPolarHBondContact OE2-CB 3.09Å; E388-S390 PolarHBondContact OE2-OG 3.08Å
391	T	30.5	Very low	27.4	Very low	44 Å²	44	96 Å²	96	27%	0.27	51%	0.51	S	S	.	.			trans	-100.6	134.1	179	75	0	0	0	0	110.5	K393 P436	T391-K393 PolarHBondContact O-N 3.49Å; T391-P436 HydrophobicContact CG2-CB 3.78Å; T391-P436 HydrophobicContact CG2-CG 3.38Å
392	N	27.1	Very low	27.4	Very low	106 Å²	106	97.9 Å²	97.9	57%	0.567	52%	0.52	S	S	*	.			trans	-64.2	100.1	176.2	-77.9	-6.2	0	0	0	111.6	Q394 R439	N392-Q394 PolarHBondContact O-N 2.93Å; N392-R439 PolarHBondContact OD1-NH2 2.95Å
393	K	28.4	Very low	27.3	Very low	147 Å²	147	100.7 Å²	100.7	64%	0.639	54%	0.539	S	S	*	.			trans	-70.8	104.3	163.5	-69.8	-176.1	176.8	179.7	0	108.3	T391 E620	T391-K393 PolarHBondContact O-N 3.49Å; K393-E620 WeakPolarHBondContact CE-OE1 3.4Å; K393-E620 IonicContact NZ-OE1 2.7Å; K393-E620 PolarHBondContact NZ-OE1 2.86Å; K393-E620 IonicContact NZ-OE2 3.96Å; K393-E620 PolarHBondContact NZ-OE2 3Å
394	Q	27	Very low	27.4	Very low	181 Å²	181	102 Å²	102	85%	0.846	55%	0.55	S	S	*	*			trans	-69.3	150	160.7	-86.6	-169.3	-23.2	0	0	109.4	N392 E396	N392-Q394 PolarHBondContact O-N 2.93Å; Q394-E396 PolarHBondContact O-N 3.2Å; Q394-E396 VanDerWaalsContact O-N 3.09Å
395	Q	26	Very low	27.3	Very low	176 Å²	176	105.9 Å²	105.9	82%	0.822	57%	0.568	S	S	*	*			trans	-90	72	-163.9	-168	173.4	-0.4	0	0	111.7	N397	Q395-N397 PolarHBondContact O-N 3.17Å
396	E	27.6	Very low	27.4	Very low	174 Å²	174	111.1 Å²	111.1	81%	0.813	59%	0.587	S	S	*	*			trans	-73.6	105	172.5	-68.4	-166.6	134	0	0	110.8	Q394 T398	Q394-E396 PolarHBondContact O-N 3.2Å; Q394-E396 VanDerWaalsContact O-N 3.09Å; E396-T398 PolarHBondContact O-N 3.46Å
397	N	23.8	Very low	27.2	Very low	146 Å²	146	113.8 Å²	113.8	78%	0.781	61%	0.607	S	S	*	*			trans	-75.3	84.6	174.5	-77.7	-23.7	0	0	0	110.9	Q395	Q395-N397 PolarHBondContact O-N 3.17Å
398	T	28.1	Very low	27.2	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	64%	0.635	S	S	*	*			trans	-128.5	131.8	166.3	48.5	0	0	0	0	111.6	E396	E396-T398 PolarHBondContact O-N 3.46Å
399	N	25.2	Very low	27.3	Very low	154 Å²	154	121.1 Å²	121.1	82%	0.824	66%	0.66	S	S	*	*			trans	-67.2	157.7	180	-65.1	-48	0	0	0	112.4
400	S	24.3	Very low	27.4	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	69%	0.689	S	S	*	*			trans	51.3	84.1	159.7	57	0	0	0	0	116.9
401	L	25.3	Very low	27.5	Very low	176 Å²	176	131.8 Å²	131.8	92%	0.921	72%	0.724	S	S	*	*			trans	-106.8	93.3	151.3	-94.2	164.9	0	0	0	109.2
402	S	26.3	Very low	27.5	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	75%	0.745	S	S	*	*			trans	-73.4	165	172.9	47	0	0	0	0	111.9	I404	S402-I404 PolarHBondContact O-N 3.4Å
403	V	26.3	Very low	27.9	Very low	114 Å²	114	135.7 Å²	135.7	69%	0.691	76%	0.758	S	S	*	*			trans	-15	117.1	164.1	-174.9	0	0	0	0	114.2	N405	V403-N405 WeakPolarHBondContact CG1-OD1 3.38Å; V403-N405 PolarHBondContact O-N 3.39Å
404	I	26.5	Very low	28	Very low	138 Å²	138	133.3 Å²	133.3	71%	0.708	77%	0.766	S	S	*	*			trans	-73.1	82.1	169.1	-55.4	178.6	0	0	0	108.4	S402 F406	S402-I404 PolarHBondContact O-N 3.4Å; I404-F406 HydrophobicContact CG2-CD2 4.13Å; I404-F406 HydrophobicContact CG2-CE2 3.69Å; I404-F406 HydrophobicContact CG2-CZ 4.01Å; I404-F406 PolarHBondContact O-N 3.01Å
405	N	26.5	Very low	28.1	Very low	121 Å²	121	132.4 Å²	132.4	65%	0.647	77%	0.767	S	S	*	*			trans	-71.5	107.4	171.5	-94.9	-5	0	0	0	109.5	V403 S407	V403-N405 WeakPolarHBondContact CG1-OD1 3.38Å; V403-N405 PolarHBondContact O-N 3.39Å; N405-S407 PolarHBondContact O-N 3.23Å
406	F	27.9	Very low	28.4	Very low	159 Å²	159	133.1 Å²	133.1	70%	0.697	77%	0.77	S	S	*	*			trans	-74.5	71.7	166.3	-75.1	-81.9	0	0	0	110.3	I404	I404-F406 HydrophobicContact CG2-CD2 4.13Å; I404-F406 HydrophobicContact CG2-CE2 3.69Å; I404-F406 HydrophobicContact CG2-CZ 4.01Å; I404-F406 PolarHBondContact O-N 3.01Å
407	S	26.1	Very low	28.5	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	77%	0.771	S	S	*	*			trans	-139.2	76.4	-179.6	65.5	0	0	0	0	112.1	N405	N405-S407 PolarHBondContact O-N 3.23Å
408	S	31.3	Very low	28.7	Very low	110 Å²	110	130 Å²	130	77%	0.769	77%	0.771	S	S	*	*			trans	-121.4	101.9	161.5	53.4	0	0	0	0	108.2
409	T	28.7	Very low	28.8	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.1	140.4	174.6	40.9	0	0	0	0	111
410	P	32.8	Very low	28.9	Very low	109 Å²	109	132.5 Å²	132.5	71%	0.708	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-81.8	121.1	173.6	31.9	-31.6	0	0	0	110.9	S412	P410-S412 PolarHBondContact O-OG 3.18Å
411	D	32.5	Very low	29.2	Very low	166 Å²	166	133.1 Å²	133.1	89%	0.888	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.3	139.8	162.3	-74.5	-44.3	0	0	0	109.7
412	S	29.8	Very low	29.3	Very low	103 Å²	103	131 Å²	131	72%	0.72	78%	0.779	S	S	*	*			trans	-120.6	172.6	-171.5	-55.6	0	0	0	0	110.5	P410	P410-S412 PolarHBondContact O-OG 3.18Å
413	P	34.7	Very low	29.2	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	78%	0.784	S	S	*	*				-125.3	-179.8	-67.9	37.8	-24.2	0	0	0	111.1
414	A	31.9	Very low	29.2	Very low	97 Å²	97	136.6 Å²	136.6	80%	0.802	79%	0.788	S	S	*	*			trans	-141.2	146.8	165.4	0	0	0	0	0	110.3
415	D	29.2	Very low	29.1	Very low	162 Å²	162	139 Å²	139	87%	0.866	80%	0.797	S	S	*	*			trans	-69	141.5	-174.1	-62	-82.6	0	0	0	114
416	E	30.7	Very low	29.2	Very low	191 Å²	191	141 Å²	141	89%	0.893	81%	0.805	S	S	*	*				-165.7	166.2	110.2	-107	-177.4	-159.9	0	0	111.8
417	T	29.9	Very low	29.3	Very low	136 Å²	136	140.2 Å²	140.2	83%	0.834	81%	0.807	S	S	*	*			trans	-103.3	161.4	-165	28.4	0	0	0	0	114.3
418	P	28.7	Very low	29.3	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	82%	0.817	S	S	*	*			trans	-89.5	156.9	-146	34	-38.3	0	0	0	116.3
419	K	30.7	Very low	29.1	Very low	212 Å²	212	143.6 Å²	143.6	92%	0.922	81%	0.811	S	S	*	*			trans	-133.1	151.3	159.4	-70.7	-178.7	-178.6	167.7	0	110.4
420	S	26.2	Very low	28.9	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	81%	0.812	S	S	*	*			trans	-93.1	-177.9	-167.6	71.1	0	0	0	0	112.3
421	P	32	Very low	28.6	Very low	123 Å²	123	145.3 Å²	145.3	80%	0.799	81%	0.807	S	S	*	*			trans	-84.2	153.8	-132.2	34.7	-40.4	0	0	0	115.5
422	C	27.2	Very low	28.3	Very low	133 Å²	133	142.2 Å²	142.2	90%	0.899	79%	0.79	S	S	*	*			trans	-134.9	141.6	160.3	-124.3	0	0	0	0	110.9
423	F	23.8	Very low	28.2	Very low	185 Å²	185	144.1 Å²	144.1	81%	0.811	79%	0.79	S	S	*	*			trans	-77.6	163.9	177	-113.5	-109.6	0	0	0	112.4
424	N	25.5	Very low	27.9	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	77%	0.773	S	S	*	*			trans	92.8	152.2	162.1	-51.3	-45.4	0	0	0	119
425	Q	25.7	Very low	27.7	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	75%	0.753	S	S	*	*			trans	74.9	63.9	168.4	-55.3	-168.9	3.1	0	0	119.2
426	I	28.1	Very low	27.7	Very low	162 Å²	162	136.9 Å²	136.9	83%	0.831	74%	0.737	S	S	*	*	S	Bend	trans	-129.1	95.4	138.7	-56.9	-176.8	0	0	0	110.2
427	I	29.7	Very low	27.7	Very low	142 Å²	142	129 Å²	129	73%	0.728	70%	0.703	S	S	*	*			trans	42.3	113.2	145.7	-51	176.9	0	0	0	118.5	S429	I427-S429 VanDerWaalsContact C-N 3.34Å; I427-S429 PolarHBondContact O-N 3.12Å
428	E	25.4	Very low	27.7	Very low	177 Å²	177	123.8 Å²	123.8	83%	0.827	67%	0.671	S	S	*	*			trans	-68.4	79.5	165.8	-67	-167.8	143	0	0	112.9	K430	E428-K430 PolarHBondContact O-N 2.81Å
429	S	27.2	Very low	27.6	Very low	93 Å²	93	122.4 Å²	122.4	65%	0.65	65%	0.65	S	S	*	*			trans	-76.2	99.9	166.6	-69.6	0	0	0	0	110.4	I427 S431	I427-S429 VanDerWaalsContact C-N 3.34Å; I427-S429 PolarHBondContact O-N 3.12Å; S429-S431 PolarHBondContact O-N 3.09Å
430	K	24.8	Very low	27.6	Very low	185 Å²	185	116.6 Å²	116.6	80%	0.804	63%	0.628	S	S	*	*			trans	-72.9	67.1	172.3	-71.6	-176.3	179.6	174	0	112.1	E428 I432	E428-K430 PolarHBondContact O-N 2.81Å; K430-I432 PolarHBondContact O-N 3.18Å
431	S	27.7	Very low	27.6	Very low	88 Å²	88	116 Å²	116	62%	0.615	62%	0.615	S	S	*	*			trans	-76.3	101.6	166.1	40.6	0	0	0	0	109.9	S429 I433	S429-S431 PolarHBondContact O-N 3.09Å; S431-I433 PolarHBondContact O-N 2.73Å
432	I	25.5	Very low	27.3	Very low	102 Å²	102	115.7 Å²	115.7	52%	0.523	61%	0.613	S	S	.	*			trans	-71.7	94.7	169.1	-59.1	175.4	0	0	0	107.4	K430 H434	K430-I432 PolarHBondContact O-N 3.18Å; I432-H434 PolarHBondContact O-CD2 2.75Å; I432-H434 PolarHBondContact O-N 3.5Å; I432-H434 VanDerWaalsContact O-N 3.09Å
433	I	27.6	Very low	27.2	Very low	142 Å²	142	112.5 Å²	112.5	73%	0.728	59%	0.587	S	S	*	*			trans	-80.4	89.6	176.8	-57.6	178.3	0	0	0	107.9	S431 S435	S431-I433 PolarHBondContact O-N 2.73Å; I433-S435 PolarHBondContact O-N 3.48Å; I433-S435 VanDerWaalsContact O-N 3.16Å
434	H	28.8	Very low	27.3	Very low	101 Å²	101	112 Å²	112	47%	0.468	59%	0.587	S	S	.	*			trans	-59.4	113.6	176.1	-66.1	-82.5	0	0	0	111	E24 I432 P436	E24-H434 WeakPolarHBondContact CG-ND1 3.12Å; E24-H434 IonicContact OE1-ND1 3.31Å; I432-H434 PolarHBondContact O-CD2 2.75Å; I432-H434 PolarHBondContact O-N 3.5Å; I432-H434 VanDerWaalsContact O-N 3.09Å; H434-P436 WeakPolarHBondContact O-CD 3.48Å
435	S	27.9	Very low	27.3	Very low	53 Å²	53	108.9 Å²	108.9	37%	0.371	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-77.6	116.9	170.2	61.9	0	0	0	0	109.9	T27 I433	T27-S435 WeakPolarHBondContact CG2-OG 3.43Å; T27-S435 PolarHBondContact OG1-OG 2.75Å; I433-S435 PolarHBondContact O-N 3.48Å; I433-S435 VanDerWaalsContact O-N 3.16Å
436	P	29.8	Very low	27.3	Very low	82 Å²	82	104.2 Å²	104.2	53%	0.532	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-70.5	138.2	-177.5	27.7	-33.5	0	0	0	112	T391 H434	T391-P436 HydrophobicContact CG2-CB 3.78Å; T391-P436 HydrophobicContact CG2-CG 3.38Å; H434-P436 WeakPolarHBondContact O-CD 3.48Å
437	S	30.4	Very low	27	Very low	25 Å²	25	106.1 Å²	106.1	18%	0.175	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-80.4	142	-172.4	-25.7	0	0	0	0	112.6	F23	F23-S437 WeakPolarHBondContact CB-OG 3.21Å; F23-S437 VanDerWaalsContact CD2-CB 3.47Å; F23-S437 WeakPolarHBondContact CD2-OG 3.46Å; F23-S437 WeakPolarHBondContact CG-OG 3.23Å
438	P	29.7	Very low	26.8	Very low	26 Å²	26	103.6 Å²	103.6	17%	0.169	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.3	172.7	-18	30.6	0	0	0	112	V387 R389	V387-P438 HydrophobicContact CG1-CB 4.29Å; R389-P438 HydrophobicContact CG-CB 4.25Å; R389-P438 HydrophobicContact CG-CG 4.2Å
439	R	27.1	Very low	26.6	Very low	91 Å²	91	102.9 Å²	102.9	34%	0.343	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-84.4	121.4	172.6	-73.6	-173	173.9	-149.4	5.8	110.2	E388 N392	E388-R439 PolarHBondContact O-N 3.36Å; N392-R439 PolarHBondContact OD1-NH2 2.95Å
440	I	29.5	Very low	26.5	Very low	89 Å²	89	102.8 Å²	102.8	46%	0.456	54%	0.541	S	S	.	.			trans	-98.5	111.9	172.1	-46.5	171.7	0	0	0	108.4	P442 P737	I440-P442 WeakPolarHBondContact O-CD 3.17Å; I440-P737 HydrophobicContact CD1-CB 4.25Å; I440-P737 HydrophobicContact CD1-CG 3.72Å; I440-P737 HydrophobicContact CG1-CG 4.46Å
441	I	25.6	Very low	26.5	Very low	102 Å²	102	102.2 Å²	102.2	52%	0.523	54%	0.541	S	S	.	.			trans	-100.2	111.5	174.2	-52.8	-179.4	0	0	0	108.4	L443	I441-L443 HydrophobicContact CG2-CD2 3.69Å
442	P	25.9	Very low	26.3	Very low	118 Å²	118	104.3 Å²	104.3	77%	0.766	55%	0.545	S	S	*	.			trans	-76.2	132.3	172.3	31.1	-32.7	0	0	0	110.1	I440	I440-P442 WeakPolarHBondContact O-CD 3.17Å
443	L	26.4	Very low	26.5	Very low	66 Å²	66	105.1 Å²	105.1	35%	0.346	56%	0.559	S	S	.	*			trans	-114.4	132.1	-172.9	-58.9	176.8	0	0	0	111.3	I441 P535 H536	I441-L443 HydrophobicContact CG2-CD2 3.69Å; L443-P535 HydrophobicContact CD1-CB 4.04Å; L443-P535 WeakPolarHBondContact CD1-O 3.4Å; L443-P535 HydrophobicContact CD2-CB 3.39Å; L443-P535 HydrophobicContact CG-CB 4.33Å; L443-H536 HydrophobicContact CD1-CB 4.44Å; L443-H536 VanDerWaalsContact CD1-CE1 3.47Å; L443-H536 WeakPolarHBondContact CD1-CE1 3.22Å; L443-H536 WeakPolarHBondContact CD1-ND1 3.4Å
444	E	24.8	Very low	26.3	Very low	173 Å²	173	106 Å²	106	81%	0.808	56%	0.561	S	S	*	*			trans	-79.1	148.1	-178.8	-65.2	-159.7	145.3	0	0	112.4	I446	E444-I446 PolarHBondContact O-N 2.93Å
445	P	25.3	Very low	26.3	Very low	79 Å²	79	109.1 Å²	109.1	51%	0.513	58%	0.581	S	S	.	*			trans	-75	98.8	-178.5	30.2	-34.9	0	0	0	111.6	K447	P445-K447 PolarHBondContact O-N 3.24Å; P445-K447 VanDerWaalsContact O-N 3.1Å
446	I	25.5	Very low	26.2	Very low	92 Å²	92	112.2 Å²	112.2	47%	0.472	60%	0.603	S	S	.	*			trans	-60.6	112.2	172.3	-56.2	173.6	0	0	0	109.3	E444 I448 T524	E444-I446 PolarHBondContact O-N 2.93Å; I446-I448 HydrophobicContact CG2-CD1 4.42Å; I446-I448 HydrophobicContact CG2-CG1 3.94Å; I446-T524 HydrophobicContact CD1-CG2 3.7Å
447	K	22.6	Very low	26.2	Very low	203 Å²	203	114.1 Å²	114.1	88%	0.883	62%	0.618	S	S	*	*			trans	-78	123.4	168.3	-77.9	-176.4	175	-179.2	0	109.6	P445	P445-K447 PolarHBondContact O-N 3.24Å; P445-K447 VanDerWaalsContact O-N 3.1Å
448	I	24.8	Very low	25.9	Very low	88 Å²	88	118 Å²	118	45%	0.451	64%	0.644	S	S	.	*			trans	-117.8	109.7	169.7	-54.1	175.9	0	0	0	108.2	I446 T527	I446-I448 HydrophobicContact CG2-CD1 4.42Å; I446-I448 HydrophobicContact CG2-CG1 3.94Å; I448-T527 VanDerWaalsContact CD1-CB 3.47Å; I448-T527 HydrophobicContact CD1-CG2 3.51Å
449	M	21.4	Very low	25.6	Very low	163 Å²	163	124 Å²	124	80%	0.803	68%	0.675	S	S	*	*			trans	-83.4	125.1	159.7	-79.9	174.1	54.2	0	0	108.1
450	C	25.7	Very low	25.5	Very low	91 Å²	91	127.8 Å²	127.8	62%	0.615	70%	0.696	S	S	*	*			trans	-115.7	119	158.7	-70.4	0	0	0	0	107.6	L452	C450-L452 PolarHBondContact O-N 3.38Å
451	E	24.1	Very low	25.3	Very low	172 Å²	172	130.1 Å²	130.1	80%	0.804	72%	0.715	S	S	*	*			trans	-75.9	110.6	178.1	-62.8	-177.6	154.3	0	0	108.8	S453	E451-S453 PolarHBondContact O-N 3.39Å
452	L	24.4	Very low	25.2	Very low	133 Å²	133	131.9 Å²	131.9	70%	0.696	72%	0.724	S	S	*	*			trans	-71.8	96.9	171.4	-81.5	166.8	0	0	0	109	C450 Q454	C450-L452 PolarHBondContact O-N 3.38Å; L452-Q454 PolarHBondContact O-N 2.77Å
453	S	29.1	Very low	25	Very low	118 Å²	118	131 Å²	131	83%	0.825	72%	0.721	S	S	*	*			trans	-60.4	103.5	168.9	55.4	0	0	0	0	109.6	E451 D455	E451-S453 PolarHBondContact O-N 3.39Å; S453-D455 PolarHBondContact O-N 3.23Å
454	Q	24	Very low	24.9	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	74%	0.743	S	S	*	*			trans	-67.3	123	168.4	-68.5	179.2	-26.8	0	0	109.1	L452	L452-Q454 PolarHBondContact O-N 2.77Å
455	D	29.2	Very low	24.8	Very low	166 Å²	166	131.7 Å²	131.7	89%	0.888	74%	0.737	S	S	*	*			trans	-141.1	118.5	147.4	-117.1	-34.1	0	0	0	109	S453	S453-D455 PolarHBondContact O-N 3.23Å
456	S	24.9	Very low	24.7	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	76%	0.755	S	S	*	*			trans	-110.5	113	-174.5	59.4	0	0	0	0	110
457	S	28.9	Very low	24.6	Very low	122 Å²	122	144 Å²	144	85%	0.853	77%	0.773	S	S	*	*			trans	-116.4	139.9	168.4	52.8	0	0	0	0	110.9
458	S	25	Very low	24.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	77%	0.773	S	S	*	*			trans	-82.6	159.9	-164.5	51	0	0	0	0	114.6
459	L	23.3	Very low	24.6	Very low	153 Å²	153	142.8 Å²	142.8	80%	0.801	78%	0.779	S	S	*	*			trans	-1.5	136.5	152.8	-63.6	82	0	0	0	117.2
460	E	25.6	Very low	24.7	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	78%	0.782	S	S	*	*				-148.7	141	123	-132.8	168.8	-140.1	0	0	112.4
461	T	24.5	Very low	24.6	Very low	137 Å²	137	146.6 Å²	146.6	84%	0.84	79%	0.788	S	S	*	*			trans	-109.1	102.6	-178.9	-57.4	0	0	0	0	108.9
462	I	24	Very low	24.9	Very low	140 Å²	140	143.3 Å²	143.3	72%	0.718	78%	0.784	S	S	*	*			trans	-128.4	140.7	178.7	-59.9	-176.9	0	0	0	110.4
463	S	21.7	Very low	25.1	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	78%	0.784	S	S	*	*			trans	-109.9	166.1	-172.5	60.8	0	0	0	0	113.2
464	L	24.2	Very low	25	Very low	155 Å²	155	143 Å²	143	81%	0.812	79%	0.785	S	S	*	*			trans	40.3	120.3	150.4	-81.4	161.1	0	0	0	120.3
465	S	22.2	Very low	25	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	78%	0.781	S	S	*	*			trans	72.9	107.6	143.3	-56.8	0	0	0	0	119.3
466	K	24.1	Very low	25	Very low	204 Å²	204	139.4 Å²	139.4	89%	0.887	78%	0.778	S	S	*	*				-166.8	101.8	119.6	-101.5	148.2	-170.8	171.7	0	114.7
467	R	22.9	Very low	25	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	78%	0.78	S	S	*	*			trans	-3.3	121.4	138.3	-173.8	-166.3	-134.8	-176.5	5.5	116.4	T469	R467-T469 HydrophobicContact CG-CG2 4.08Å
468	L	23.1	Very low	24.8	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	78%	0.783	S	S	*	*			trans	-128.1	139.8	150.3	-80.9	173.8	0	0	0	109.4
469	T	24.2	Very low	24.9	Very low	94 Å²	94	148.5 Å²	148.5	58%	0.577	79%	0.787	S	S	*	*			trans	-145.2	121.1	-170.1	47.4	0	0	0	0	111.2	R467	R467-T469 HydrophobicContact CG-CG2 4.08Å
470	F	22.9	Very low	25.2	Very low	194 Å²	194	151 Å²	151	85%	0.851	79%	0.791	S	S	*	*			trans	-167.1	142	161.3	-77.5	-66	0	0	0	108
471	N	25	Very low	25.3	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	79%	0.788	S	S	*	*			cis	-152.3	166.8	-24.1	-131.3	10.9	0	0	0	111
472	S	28.8	Very low	25.4	Very low	103 Å²	103	150.6 Å²	150.6	72%	0.72	79%	0.788	S	S	*	*			trans	-66.7	177.2	-176.8	-17.3	0	0	0	0	114.3
473	P	30.3	Very low	25.6	Very low	108 Å²	108	150.9 Å²	150.9	70%	0.701	80%	0.796	S	S	*	*			cis	-150.7	157.1	37.7	43.8	-22.7	0	0	0	121.4
474	T	25.6	Very low	25.7	Very low	136 Å²	136	152.1 Å²	152.1	83%	0.834	80%	0.795	S	S	*	*			trans	53.5	143.3	142.7	53.8	0	0	0	0	121.7
475	S	24.7	Very low	25.8	Very low	96 Å²	96	154.5 Å²	154.5	67%	0.671	80%	0.802	S	S	*	*			cis	-154.8	171.7	-4.2	64.3	0	0	0	0	107.5
476	N	28.6	Very low	25.9	Very low	156 Å²	156	157.1 Å²	157.1	83%	0.834	80%	0.803	S	S	*	*			cis	-143.1	174.2	23.4	-108.7	-41.3	0	0	0	111.8
477	K	24.8	Very low	25.9	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	80%	0.799	S	S	*	*			trans	-84.8	141.8	-177	-61.1	173.3	180	174.1	0	113.4
478	M	25.2	Very low	26.2	Very low	187 Å²	187	148.1 Å²	148.1	92%	0.921	79%	0.79	S	S	*	*				-153.5	168.3	126.1	-112.3	178.1	-178	0	0	110.9
479	N	28.1	Very low	26.4	Very low	150 Å²	150	149.7 Å²	149.7	80%	0.802	79%	0.79	S	S	*	*			trans	-75	149.9	-145.7	-66.5	-17.8	0	0	0	116.8
480	K	28	Very low	26.6	Very low	205 Å²	205	150.4 Å²	150.4	89%	0.891	79%	0.79	S	S	*	*			trans	-78.7	122.5	155.6	-75	-176.9	174.3	-174.3	0	110.2
481	T	27.7	Very low	27.1	Very low	120 Å²	120	144.5 Å²	144.5	74%	0.736	77%	0.773	S	S	*	*			trans	-161.5	157.2	143.6	17.9	0	0	0	0	107.8
482	E	26.6	Very low	27.7	Very low	180 Å²	180	143 Å²	143	84%	0.841	77%	0.769	S	S	*	*			trans	57.8	88.1	165.9	-65.2	164.5	-144.2	0	0	118.2
483	V	28.1	Very low	28.7	Very low	145 Å²	145	141 Å²	141	88%	0.879	75%	0.747	S	S	*	*				-153.6	136.1	118.6	170.5	0	0	0	0	106.6	Q485	V483-Q485 PolarHBondContact O-N 2.82Å
484	N	25.2	Very low	30	Very low	127 Å²	127	136 Å²	136	68%	0.679	72%	0.715	S	S	*	*			trans	-69.2	129.4	-174.7	-72.3	-6.9	0	0	0	113.1	E486	N484-E486 HydrophobicContact CB-CG 4.31Å; N484-E486 PolarHBondContact O-N 2.8Å
485	Q	25.2	Very low	31.8	Very low	205 Å²	205	130.1 Å²	130.1	96%	0.958	68%	0.677	S	S	*	*			trans	-81.9	71.8	154.9	-73.3	-171.2	-45.2	0	0	109.6	V483	V483-Q485 PolarHBondContact O-N 2.82Å
486	E	25.8	Very low	34.2	Very low	153 Å²	153	125.6 Å²	125.6	72%	0.715	65%	0.646	S	S	*	*			trans	-81	137.4	163.1	-82.6	-175.7	146.7	0	0	110.5	N484 N488	N484-E486 HydrophobicContact CB-CG 4.31Å; N484-E486 PolarHBondContact O-N 2.8Å; E486-N488 VanDerWaalsContact C-N 3.3Å; E486-N488 PolarHBondContact O-N 2.75Å
487	S	24.2	Very low	36.6	Very low	114 Å²	114	118.2 Å²	118.2	80%	0.797	61%	0.606	S	S	*	*			trans	-82.4	64.3	-163.9	45.5	0	0	0	0	113.1	K489	S487-K489 PolarHBondContact O-N 3.24Å
488	N	27.2	Very low	39.4	Very low	126 Å²	126	108.7 Å²	108.7	67%	0.674	57%	0.565	S	S	*	*			trans	-67	79.2	170.4	-84	-23.9	0	0	0	111.6	E486 N490	E486-N488 VanDerWaalsContact C-N 3.3Å; E486-N488 PolarHBondContact O-N 2.75Å; N488-N490 HydrophobicContact CB-CB 4.45Å; N488-N490 VanDerWaalsContact CG-ND2 3.27Å; N488-N490 PolarHBondContact O-N 3.48Å; N488-N490 PolarHBondContact OD1-ND2 3.16Å
489	K	27.3	Very low	42.3	Very low	204 Å²	204	99.9 Å²	99.9	89%	0.887	52%	0.521	S	S	*	.			trans	-70.5	38	157.6	-72.7	-173.3	171.6	-175.3	0	111	S487	S487-K489 PolarHBondContact O-N 3.24Å
490	N	29.4	Very low	45.1	Very low	109 Å²	109	92.7 Å²	92.7	58%	0.583	48%	0.483	S	S	*	.			trans	-81.5	126.8	-172.2	-64.5	-2.2	0	0	0	109	N488 V492	N488-N490 HydrophobicContact CB-CB 4.45Å; N488-N490 VanDerWaalsContact CG-ND2 3.27Å; N488-N490 PolarHBondContact O-N 3.48Å; N488-N490 PolarHBondContact OD1-ND2 3.16Å; N490-V492 PolarHBondContact O-N 3.18Å
491	S	34.3	Very low	48	Very low	70 Å²	70	87.2 Å²	87.2	49%	0.49	46%	0.459	S	S	.	.			trans	-60.6	126.7	-176.3	44.1	0	0	0	0	111.4	K493	S491-K493 PolarHBondContact O-N 3.44Å
492	V	36.8	Very low	50.8	Low	108 Å²	108	81.5 Å²	81.5	66%	0.655	42%	0.424	S	S	*	.			trans	-75.2	80	172.7	-176.2	0	0	0	0	108.2	N490 A494	N490-V492 PolarHBondContact O-N 3.18Å; V492-A494 PolarHBondContact O-N 3.45Å
493	K	49.8	Very low	53.6	Low	63 Å²	63	74.6 Å²	74.6	27%	0.274	40%	0.401	S	S	.	.			trans	-49.9	123.5	179.2	-77.1	-167.4	170.9	-159.3	0	111.2	T199 F202 S491 Y495	T199-K493 WeakPolarHBondContact O-CE 3.46Å; T199-K493 PolarHBondContact O-NZ 2.72Å; F202-K493 PolarHBondContact O-NZ 2.89Å; S491-K493 PolarHBondContact O-N 3.44Å; K493-Y495 HydrophobicContact CB-CD2 4.03Å; K493-Y495 HydrophobicContact CB-CE2 3.46Å; K493-Y495 VanDerWaalsContact CB-CE2 3.46Å; K493-Y495 HydrophobicContact CD-CE2 4.06Å; K493-Y495 VanDerWaalsContact CD-OH 3.31Å; K493-Y495 WeakPolarHBondContact CD-OH 3.38Å; K493-Y495 HydrophobicContact CG-CE2 4.43Å; K493-Y495 WeakPolarHBondContact O-CD2 3.31Å; K493-Y495 PolarHBondContact O-N 2.82Å; K493-Y495 VanDerWaalsContact O-N 3.1Å
494	A	56.6	Low	56.2	Low	3 Å²	3	71.4 Å²	71.4	3%	0.025	38%	0.379	C	S	.	.			trans	-89.4	66.9	-169.9	0	0	0	0	0	112.8	F180 Y182 F293 V492 S496	F180-A494 HydrophobicContact CD2-CB 3.47Å; F180-A494 VanDerWaalsContact CD2-CB 3.47Å; F180-A494 HydrophobicContact CE2-CB 3.63Å; Y182-A494 WeakPolarHBondContact OH-CB 3.21Å; F293-A494 HydrophobicContact CE1-CB 4.02Å; F293-A494 HydrophobicContact CZ-CB 4.46Å; V492-A494 PolarHBondContact O-N 3.45Å; A494-S496 PolarHBondContact O-N 2.79Å
495	Y	64.4	Low	59.3	Low	11 Å²	11	65.6 Å²	65.6	4%	0.043	35%	0.348	C	S	.	.			trans	-63.2	133.3	174.6	-61.3	-81.4	0	0	0	111.7	K204 L206 K493 Q510 C512	K204-Y495 PolarHBondContact O-OH 3.45Å; L206-Y495 HydrophobicContact CD1-CD2 4.14Å; L206-Y495 HydrophobicContact CD1-CE2 3.53Å; L206-Y495 HydrophobicContact CG-CE2 3.89Å; K493-Y495 HydrophobicContact CB-CD2 4.03Å; K493-Y495 HydrophobicContact CB-CE2 3.46Å; K493-Y495 VanDerWaalsContact CB-CE2 3.46Å; K493-Y495 HydrophobicContact CD-CE2 4.06Å; K493-Y495 VanDerWaalsContact CD-OH 3.31Å; K493-Y495 WeakPolarHBondContact CD-OH 3.38Å; K493-Y495 HydrophobicContact CG-CE2 4.43Å; K493-Y495 WeakPolarHBondContact O-CD2 3.31Å; K493-Y495 PolarHBondContact O-N 2.82Å; K493-Y495 VanDerWaalsContact O-N 3.1Å; Y495-Q510 HydrophobicContact CD1-CG 3.87Å; Y495-Q510 VanDerWaalsContact CE1-NE2 3.33Å; Y495-Q510 HydrophobicContact CG-CG 4.5Å; Y495-C512 VanDerWaalsContact CD1-SG 3.59Å; Y495-C512 VanDerWaalsContact CE1-SG 3.6Å
496	S	75.3	Confident	62.3	Low	1 Å²	1	56.1 Å²	56.1	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	154.2	165.6	-58.2	0	0	0	0	109	A494 F511 T514	A494-S496 PolarHBondContact O-N 2.79Å; S496-F511 VanDerWaalsContact CB-CE2 3.44Å; S496-F511 PolarHBondContact N-O 3.34Å; S496-F511 PolarHBondContact O-N 3.03Å; S496-T514 VanDerWaalsContact CB-OG1 3.29Å; S496-T514 WeakPolarHBondContact CB-OG1 3.41Å; S496-T514 PolarHBondContact OG-OG1 2.69Å
497	Y	79	Confident	65.4	Low	2 Å²	2	48.9 Å²	48.9	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144	-178.8	-58.3	-96.5	0	0	0	108.9	L175 R177 F208 P209 V212 L508 V509 Q510	L175-Y497 PolarHBondContact N-O 2.84Å; L175-Y497 PolarHBondContact O-N 2.96Å; R177-Y497 HydrophobicContact CG-CE2 4.24Å; F208-Y497 HydrophobicContact CD1-CD1 4.3Å; F208-Y497 HydrophobicContact CD1-CE1 4.07Å; F208-Y497 HydrophobicContact CE1-CD1 4.18Å; F208-Y497 HydrophobicContact CE1-CE1 4.15Å; P209-Y497 WeakPolarHBondContact CD-OH 3.49Å; V212-Y497 HydrophobicContact CG1-CD1 3.97Å; V212-Y497 HydrophobicContact CG1-CD2 4.25Å; V212-Y497 HydrophobicContact CG1-CE1 4.44Å; V212-Y497 HydrophobicContact CG1-CG 3.87Å; V212-Y497 HydrophobicContact CG2-CD2 4.22Å; V212-Y497 HydrophobicContact CG2-CE2 4.12Å; Y497-L508 HydrophobicContact CD1-CD1 4.23Å; Y497-V509 VanDerWaalsContact CA-O 3.29Å; Y497-V509 WeakPolarHBondContact CA-O 3.43Å; Y497-Q510 HydrophobicContact CD1-CB 4.19Å; Y497-Q510 HydrophobicContact CD1-CG 4.41Å; Y497-Q510 HydrophobicContact CE1-CB 4.04Å; Y497-Q510 HydrophobicContact CE1-CG 3.89Å
498	S	82.7	Confident	68.5	Low	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.7	166.4	56.6	0	0	0	0	111.6	E173 L508 V509 F511 I593	E173-S498 CarbonylContact O-C 3.57Å; E173-S498 VanDerWaalsContact O-CA 3.27Å; E173-S498 WeakPolarHBondContact O-CA 3.35Å; S498-L508 WeakPolarHBondContact O-CA 3.41Å; S498-V509 PolarHBondContact N-O 2.81Å; S498-V509 PolarHBondContact O-N 2.64Å; S498-F511 WeakPolarHBondContact OG-CE1 3.37Å; S498-I593 WeakPolarHBondContact CB-O 3.49Å; S498-I593 PolarHBondContact OG-O 3.11Å
499	S	85.5	Confident	71.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.8	172.4	-174.2	0	0	0	0	107.9	I172 E173 I216	I172-S499 WeakPolarHBondContact CA-O 3.34Å; I172-S499 VanDerWaalsContact CB-O 3.27Å; I172-S499 WeakPolarHBondContact CB-O 3.5Å; I172-S499 PolarHBondContact N-O 3.47Å; E173-S499 PolarHBondContact N-O 2.76Å; E173-S499 PolarHBondContact O-N 2.81Å; I216-S499 VanDerWaalsContact CG2-OG 3.24Å; I216-S499 WeakPolarHBondContact CG2-OG 2.94Å
500	L	88.2	Confident	74	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.9	-171.3	-49.8	169.9	0	0	0	108.4	F169 T170 F171 L231 N506 L507 V509 F592 I593	F169-L500 HydrophobicContact CE1-CB 3.71Å; F169-L500 HydrophobicContact CE1-CD1 3.7Å; F169-L500 HydrophobicContact CE1-CD2 4.21Å; F169-L500 HydrophobicContact CE1-CG 4.07Å; F169-L500 HydrophobicContact CZ-CB 3.98Å; F169-L500 HydrophobicContact CZ-CD1 3.69Å; F169-L500 HydrophobicContact CZ-CG 4.39Å; T170-L500 CarbonylContact O-C 3.52Å; T170-L500 WeakPolarHBondContact O-CA 3.25Å; F171-L500 HydrophobicContact CD2-CD2 3.42Å; F171-L500 VanDerWaalsContact CD2-CD2 3.42Å; F171-L500 HydrophobicContact CE2-CD2 3.69Å; F171-L500 HydrophobicContact CG-CD2 4.32Å; L231-L500 HydrophobicContact CD2-CD1 4.48Å; L500-N506 CarbonylContact O-C 3.52Å; L500-N506 WeakPolarHBondContact O-CA 3.42Å; L500-L507 HydrophobicContact CB-CB 4.27Å; L500-L507 PolarHBondContact N-O 3.07Å; L500-L507 PolarHBondContact O-N 2.74Å; L500-V509 HydrophobicContact CD1-CB 4.31Å; L500-V509 HydrophobicContact CD1-CG2 3.4Å; L500-V509 VanDerWaalsContact CD1-CG2 3.4Å; L500-V509 HydrophobicContact CG-CG2 4.38Å; L500-F592 HydrophobicContact CD2-CD1 4.22Å; L500-F592 HydrophobicContact CD2-CE1 4.11Å; L500-I593 HydrophobicContact CD1-CB 4.27Å; L500-I593 HydrophobicContact CD1-CG2 3.59Å
501	K	87.7	Confident	76.4	Confident	90 Å²	90	23.1 Å²	23.1	39%	0.391	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.3	177.2	-145.3	178.8	-176.9	-176.3	0	110.6	F169 T170 I172 G503 K505	F169-K501 CarbonylContact C-O 3.5Å; F169-K501 WeakPolarHBondContact CA-O 3.24Å; T170-K501 PolarHBondContact N-O 2.72Å; T170-K501 PolarHBondContact O-N 3.33Å; I172-K501 HydrophobicContact CD1-CB 3.86Å; I172-K501 HydrophobicContact CD1-CG 4.25Å; I172-K501 HydrophobicContact CG1-CB 4.07Å; K501-G503 WeakPolarHBondContact CE-O 3.22Å; K501-K505 WeakPolarHBondContact CA-O 3.32Å
502	L	88.3	Confident	77.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	90.7	170.9	-177.1	67.6	0	0	0	108.6	V167 F169 N504 K505 L507 V635 L638 L642	V167-L502 HydrophobicContact CG1-CD1 3.75Å; V167-L502 HydrophobicContact CG1-CG 4.14Å; F169-L502 HydrophobicContact CD2-CD1 3.93Å; L502-N504 PolarHBondContact O-N 3.12Å; L502-N504 VanDerWaalsContact O-N 3.09Å; L502-K505 HydrophobicContact CB-CB 4.5Å; L502-K505 PolarHBondContact N-O 2.77Å; L502-K505 WeakPolarHBondContact O-CB 3.2Å; L502-K505 PolarHBondContact O-N 3.21Å; L502-L507 HydrophobicContact CB-CD1 3.82Å; L502-L507 HydrophobicContact CD2-CD1 4.3Å; L502-L507 HydrophobicContact CD2-CD2 4.37Å; L502-V635 HydrophobicContact CD1-CG1 3.49Å; L502-V635 VanDerWaalsContact CD1-CG1 3.49Å; L502-L638 HydrophobicContact CD2-CD2 4.25Å; L502-L638 HydrophobicContact CD2-CG 3.87Å; L502-L642 HydrophobicContact CD2-CD1 3.72Å
503	G	84.2	Confident	79	Confident	34 Å²	34	16.6 Å²	16.6	35%	0.351	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-108.9	-170.7	0	0	0	0	0	111.9	K501	K501-G503 WeakPolarHBondContact CE-O 3.22Å
504	N	84.1	Confident	79.6	Confident	79 Å²	79	13.7 Å²	13.7	42%	0.422	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.1	176	64.5	-27	0	0	0	114.4	Y222 L502	Y222-N504 VanDerWaalsContact CD2-ND2 3.33Å; Y222-N504 WeakPolarHBondContact CD2-ND2 3.25Å; Y222-N504 VanDerWaalsContact CE2-ND2 3.32Å; Y222-N504 WeakPolarHBondContact CE2-ND2 3.48Å; L502-N504 PolarHBondContact O-N 3.12Å; L502-N504 VanDerWaalsContact O-N 3.09Å
505	K	88.8	Confident	79.9	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.017	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.9	-174.2	-54.1	157.7	-169.4	71	0	110.3	K501 L502 L507 S639 L642 D643 F646	K501-K505 WeakPolarHBondContact CA-O 3.32Å; L502-K505 HydrophobicContact CB-CB 4.5Å; L502-K505 PolarHBondContact N-O 2.77Å; L502-K505 WeakPolarHBondContact O-CB 3.2Å; L502-K505 PolarHBondContact O-N 3.21Å; K505-L507 HydrophobicContact CB-CD1 4.03Å; K505-S639 PolarHBondContact NZ-OG 3.24Å; K505-L642 HydrophobicContact CD-CB 3.86Å; K505-L642 HydrophobicContact CD-CD1 4.35Å; K505-D643 WeakPolarHBondContact CE-OD1 3.42Å; K505-D643 VanDerWaalsContact NZ-CG 3.32Å; K505-D643 IonicContact NZ-OD1 3.16Å; K505-D643 PolarHBondContact NZ-OD1 3.08Å; K505-D643 IonicContact NZ-OD2 3.6Å; K505-D643 PolarHBondContact NZ-OD2 2.74Å; K505-F646 HydrophobicContact CB-CE2 4.4Å; K505-F646 HydrophobicContact CD-CD2 4.19Å; K505-F646 HydrophobicContact CD-CE2 3.92Å; K505-F646 HydrophobicContact CG-CD2 4.28Å; K505-F646 HydrophobicContact CG-CE2 3.8Å
506	N	89.1	Confident	79.6	Confident	7 Å²	7	14.3 Å²	14.3	4%	0.037	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.7	165.3	-83.1	21.1	0	0	0	109.6	V220 Y222 L223 V224 L500	V220-N506 HydrophobicContact CG1-CB 4.15Å; Y222-N506 PolarHBondContact O-N 2.76Å; L223-N506 CarbonylContact C-O 3.58Å; L223-N506 WeakPolarHBondContact CA-O 3.44Å; L223-N506 HydrophobicContact CD1-CB 4.06Å; V224-N506 PolarHBondContact N-O 2.97Å; L500-N506 CarbonylContact O-C 3.52Å; L500-N506 WeakPolarHBondContact O-CA 3.42Å
507	L	90.7	Very high	78.7	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	172.2	-79.8	58.6	0	0	0	107.8	F169 V224 L226 L231 L500 L502 K505 L638 L642	F169-L507 HydrophobicContact CE2-CD2 4.1Å; F169-L507 HydrophobicContact CZ-CD2 4.34Å; V224-L507 HydrophobicContact CB-CD1 4.17Å; V224-L507 HydrophobicContact CB-CG 4.04Å; V224-L507 HydrophobicContact CG2-CD1 3.92Å; V224-L507 HydrophobicContact CG2-CG 4.31Å; V224-L507 WeakPolarHBondContact O-CA 3.36Å; L226-L507 HydrophobicContact CD2-CB 4.41Å; L231-L507 HydrophobicContact CD1-CD2 4.29Å; L500-L507 HydrophobicContact CB-CB 4.27Å; L500-L507 PolarHBondContact N-O 3.07Å; L500-L507 PolarHBondContact O-N 2.74Å; L502-L507 HydrophobicContact CB-CD1 3.82Å; L502-L507 HydrophobicContact CD2-CD1 4.3Å; L502-L507 HydrophobicContact CD2-CD2 4.37Å; K505-L507 HydrophobicContact CB-CD1 4.03Å; L507-L638 HydrophobicContact CD2-CD2 4.43Å; L507-L642 HydrophobicContact CD1-CD1 4.25Å
508	L	89.1	Confident	77.3	Confident	2 Å²	2	15.6 Å²	15.6	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	104.8	171.7	174	48	0	0	0	108.9	F208 V212 I216 V224 L225 L226 Y497 S498	F208-L508 HydrophobicContact CD1-CD2 3.85Å; F208-L508 HydrophobicContact CD1-CG 3.94Å; F208-L508 HydrophobicContact CE1-CD2 4.26Å; F208-L508 HydrophobicContact CE1-CG 3.81Å; V212-L508 HydrophobicContact CG1-CD1 4.49Å; V212-L508 HydrophobicContact CG1-CD2 4.32Å; I216-L508 HydrophobicContact CD1-CD1 3.38Å; I216-L508 HydrophobicContact CD1-CD2 4.19Å; I216-L508 HydrophobicContact CD1-CG 4.41Å; V224-L508 PolarHBondContact O-N 2.85Å; L225-L508 HydrophobicContact CD2-CB 3.91Å; L225-L508 HydrophobicContact CD2-CD2 4.07Å; L225-L508 HydrophobicContact CD2-CG 4.33Å; L226-L508 PolarHBondContact N-O 3.2Å; Y497-L508 HydrophobicContact CD1-CD1 4.23Å; S498-L508 WeakPolarHBondContact O-CA 3.41Å
509	V	87.9	Confident	75.5	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.6	-176	-171.4	0	0	0	0	109.9	L226 E228 L231 Y497 S498 L500 F511 I593	L226-V509 HydrophobicContact CD2-CG2 4.03Å; L226-V509 CarbonylContact O-C 3.51Å; L226-V509 WeakPolarHBondContact O-CA 3.48Å; E228-V509 HydrophobicContact CB-CG1 4.31Å; L231-V509 HydrophobicContact CD2-CG1 4.19Å; L231-V509 HydrophobicContact CD2-CG2 3.62Å; Y497-V509 VanDerWaalsContact CA-O 3.29Å; Y497-V509 WeakPolarHBondContact CA-O 3.43Å; S498-V509 PolarHBondContact N-O 2.81Å; S498-V509 PolarHBondContact O-N 2.64Å; L500-V509 HydrophobicContact CD1-CB 4.31Å; L500-V509 HydrophobicContact CD1-CG2 3.4Å; L500-V509 VanDerWaalsContact CD1-CG2 3.4Å; L500-V509 HydrophobicContact CG-CG2 4.38Å; V509-F511 HydrophobicContact CG1-CD1 4.26Å; V509-I593 HydrophobicContact CG1-CD1 4.2Å
510	Q	83	Confident	73.4	Confident	4 Å²	4	23.2 Å²	23.2	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.7	168.5	-179.7	175.3	13.5	0	0	110	F208 L226 T227 E228 Y495 Y497	F208-Q510 HydrophobicContact CE1-CB 3.81Å; F208-Q510 HydrophobicContact CZ-CB 3.8Å; L226-Q510 PolarHBondContact O-N 3.34Å; T227-Q510 CarbonylContact C-O 3.52Å; T227-Q510 VanDerWaalsContact CA-O 3.28Å; T227-Q510 WeakPolarHBondContact CA-O 3.24Å; E228-Q510 PolarHBondContact N-O 3.23Å; Y495-Q510 HydrophobicContact CD1-CG 3.87Å; Y495-Q510 VanDerWaalsContact CE1-NE2 3.33Å; Y495-Q510 HydrophobicContact CG-CG 4.5Å; Y497-Q510 HydrophobicContact CD1-CB 4.19Å; Y497-Q510 HydrophobicContact CD1-CG 4.41Å; Y497-Q510 HydrophobicContact CE1-CB 4.04Å; Y497-Q510 HydrophobicContact CE1-CG 3.89Å
511	F	78.6	Confident	71.3	Confident	6 Å²	6	25 Å²	25	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	168.1	174.9	55.2	-82	0	0	0	112.2	F174 E228 S496 S498 V509 T514 I593 R594	F174-F511 HydrophobicContact CD2-CZ 4.14Å; F174-F511 HydrophobicContact CE2-CE2 4.01Å; F174-F511 AromaticContact CE2-CZ 3.7Å; F174-F511 HydrophobicContact CE2-CZ 3.7Å; E228-F511 HydrophobicContact CB-CB 3.84Å; E228-F511 WeakPolarHBondContact OE2-CB 3.38Å; S496-F511 VanDerWaalsContact CB-CE2 3.44Å; S496-F511 PolarHBondContact N-O 3.34Å; S496-F511 PolarHBondContact O-N 3.03Å; S498-F511 WeakPolarHBondContact OG-CE1 3.37Å; V509-F511 HydrophobicContact CG1-CD1 4.26Å; F511-T514 VanDerWaalsContact CE2-OG1 3.31Å; F511-T514 WeakPolarHBondContact CE2-OG1 3.44Å; F511-I593 HydrophobicContact CB-CD1 4.46Å; F511-I593 HydrophobicContact CD1-CD1 4.08Å; F511-I593 HydrophobicContact CG-CD1 4.22Å; F511-I593 WeakPolarHBondContact CZ-O 3.43Å; F511-R594 HydrophobicContact CD2-CG 4.31Å; F511-R594 HydrophobicContact CE2-CG 3.66Å; F511-R594 HydrophobicContact CZ-CG 4.22Å
512	C	67.1	Low	69.3	Low	19 Å²	19	20.9 Å²	20.9	13%	0.128	12%	0.118	C	C	.	.			trans	-111.8	-179	176.3	-67.4	0	0	0	0	109.6	Y495 T514 R594	Y495-C512 VanDerWaalsContact CD1-SG 3.59Å; Y495-C512 VanDerWaalsContact CE1-SG 3.6Å; C512-T514 VanDerWaalsContact C-N 3.31Å; C512-T514 PolarHBondContact O-N 2.97Å; C512-T514 VanDerWaalsContact O-N 3.12Å; C512-R594 PolarHBondContact O-NH2 2.71Å; C512-R594 VanDerWaalsContact O-NH2 3.15Å
513	D	59.9	Low	67.2	Low	22 Å²	22	27.7 Å²	27.7	12%	0.118	15%	0.15	C	C	.	.			trans	62.9	30.8	156.3	-32.6	-53.7	0	0	0	115.4	K289 I515	K289-D513 WeakPolarHBondContact CB-OD1 3.23Å; K289-D513 WeakPolarHBondContact CD-OD2 3.42Å; K289-D513 WeakPolarHBondContact CE-OD2 3.35Å; K289-D513 VanDerWaalsContact CG-CG 3.46Å; K289-D513 WeakPolarHBondContact CG-OD1 3.48Å; K289-D513 WeakPolarHBondContact CG-OD2 3.38Å; K289-D513 IonicContact NZ-OD2 2.78Å; K289-D513 PolarHBondContact NZ-OD2 3.42Å; D513-I515 VanDerWaalsContact C-N 3.29Å; D513-I515 PolarHBondContact O-N 3.11Å
514	T	61.4	Low	65	Low	1 Å²	1	27 Å²	27	1%	0.006	14%	0.139	C	C	.	.			trans	-64.4	90.8	166.5	-48.9	0	0	0	0	109	F174 Y182 S496 F511 C512 W516 P561	F174-T514 HydrophobicContact CE2-CG2 4.19Å; F174-T514 HydrophobicContact CZ-CG2 3.87Å; Y182-T514 WeakPolarHBondContact CD2-O 3.48Å; Y182-T514 WeakPolarHBondContact CE2-O 3.17Å; S496-T514 VanDerWaalsContact CB-OG1 3.29Å; S496-T514 WeakPolarHBondContact CB-OG1 3.41Å; S496-T514 PolarHBondContact OG-OG1 2.69Å; F511-T514 VanDerWaalsContact CE2-OG1 3.31Å; F511-T514 WeakPolarHBondContact CE2-OG1 3.44Å; C512-T514 VanDerWaalsContact C-N 3.31Å; C512-T514 PolarHBondContact O-N 2.97Å; C512-T514 VanDerWaalsContact O-N 3.12Å; T514-W516 HydrophobicContact CG2-CZ2 3.93Å; T514-W516 PolarHBondContact O-NE1 3.16Å; T514-P561 HydrophobicContact CG2-CB 3.6Å
515	I	62.3	Low	63.1	Low	3 Å²	3	25.3 Å²	25.3	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129	179	-75.2	164.1	0	0	0	109	Y182 V184 V288 D513 P561 I562 V564	Y182-I515 HydrophobicContact CD2-CG1 4.4Å; Y182-I515 HydrophobicContact CG-CG1 4.32Å; V184-I515 HydrophobicContact CG2-CG2 4.08Å; V288-I515 HydrophobicContact CG1-CD1 3.96Å; D513-I515 VanDerWaalsContact C-N 3.29Å; D513-I515 PolarHBondContact O-N 3.11Å; I515-P561 CarbonylContact O-C 3.56Å; I515-P561 WeakPolarHBondContact O-CA 3.25Å; I515-I562 PolarHBondContact O-N 2.95Å; I515-V564 HydrophobicContact CB-CG2 4.31Å; I515-V564 HydrophobicContact CD1-CB 4.21Å; I515-V564 HydrophobicContact CD1-CG2 3.48Å; I515-V564 VanDerWaalsContact CD1-CG2 3.48Å; I515-V564 HydrophobicContact CG1-CG2 4.46Å
516	W	58.4	Low	61.1	Low	25 Å²	25	30.6 Å²	30.6	10%	0.095	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	98	-173.3	-74.2	97.6	0	0	0	109.5	F174 F180 T514 V559 P561	F174-W516 HydrophobicContact CE1-CH2 4.19Å; F174-W516 AromaticContact CE1-CZ2 3.65Å; F174-W516 HydrophobicContact CE1-CZ2 3.65Å; F174-W516 AromaticContact CZ-CZ2 3.82Å; F174-W516 HydrophobicContact CZ-CZ2 3.82Å; F180-W516 VanDerWaalsContact O-CD1 3.3Å; T514-W516 HydrophobicContact CG2-CZ2 3.93Å; T514-W516 PolarHBondContact O-NE1 3.16Å; W516-V559 HydrophobicContact CB-CG1 3.79Å; W516-V559 HydrophobicContact CD2-CG1 4.27Å; W516-V559 HydrophobicContact CE3-CB 3.97Å; W516-V559 HydrophobicContact CE3-CG1 3.67Å; W516-V559 HydrophobicContact CG-CG1 4.37Å; W516-V559 HydrophobicContact CZ3-CB 4.46Å; W516-P561 HydrophobicContact CH2-CB 4.42Å; W516-P561 HydrophobicContact CH2-CG 4.43Å; W516-P561 HydrophobicContact CZ2-CB 4.48Å; W516-P561 HydrophobicContact CZ3-CB 4.48Å; W516-P561 VanDerWaalsContact CZ3-CD 3.49Å; W516-P561 HydrophobicContact CZ3-CG 4.47Å
517	S	56.5	Low	59	Low	2 Å²	2	33.6 Å²	33.6	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.2	170.9	47.4	0	0	0	0	109.8	R543 V559 K560 I562	S517-R543 VanDerWaalsContact C-NH1 3.3Å; S517-R543 PolarHBondContact O-NH1 3.05Å; S517-R543 PolarHBondContact O-NH2 3.1Å; S517-R543 PolarHBondContact OG-NH2 3.35Å; S517-V559 VanDerWaalsContact O-CG1 3.28Å; S517-V559 WeakPolarHBondContact O-CG1 3.34Å; S517-K560 PolarHBondContact N-O 3.19Å; S517-I562 VanDerWaalsContact OG-CD1 3.23Å; S517-I562 WeakPolarHBondContact OG-CD1 3.31Å
518	N	50.2	Low	57	Low	27 Å²	27	35.5 Å²	35.5	14%	0.144	19%	0.188	C	C	.	.			trans	-128.2	166.5	172.3	69.7	-4.7	0	0	0	109.8	I181 E520 S521 V559	I181-N518 HydrophobicContact CG2-CB 4.3Å; N518-E520 PolarHBondContact O-N 3.31Å; N518-E520 VanDerWaalsContact O-N 3.08Å; N518-E520 VanDerWaalsContact OD1-C 3.27Å; N518-E520 WeakPolarHBondContact OD1-CB 3.42Å; N518-E520 PolarHBondContact OD1-N 2.76Å; N518-S521 PolarHBondContact N-OG 2.96Å; N518-S521 PolarHBondContact O-N 3.08Å; N518-S521 PolarHBondContact O-OG 3.41Å; N518-S521 WeakPolarHBondContact OD1-CB 3.11Å; N518-S521 PolarHBondContact OD1-N 2.93Å; N518-V559 HydrophobicContact CB-CG1 4.3Å
519	N	44.7	Very low	54.9	Low	42 Å²	42	40.9 Å²	40.9	23%	0.225	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.3	-179.8	-64.8	12.5	0	0	0	111.8	S521 R543 N544	N519-S521 VanDerWaalsContact C-N 3.34Å; N519-R543 WeakPolarHBondContact OD1-CD 3.12Å; N519-N544 PolarHBondContact ND2-OD1 3.21Å
520	E	42.2	Very low	52.9	Low	119 Å²	119	44.9 Å²	44.9	56%	0.556	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-77.5	-2.4	173.3	-90.5	-164.1	-121	0	0	115.7	N518 K526	N518-E520 PolarHBondContact O-N 3.31Å; N518-E520 VanDerWaalsContact O-N 3.08Å; N518-E520 VanDerWaalsContact OD1-C 3.27Å; N518-E520 WeakPolarHBondContact OD1-CB 3.42Å; N518-E520 PolarHBondContact OD1-N 2.76Å; E520-K526 WeakPolarHBondContact O-CD 3.13Å; E520-K526 WeakPolarHBondContact O-CE 3.03Å; E520-K526 PolarHBondContact O-NZ 2.7Å; E520-K526 WeakPolarHBondContact OE2-CE 3.22Å; E520-K526 IonicContact OE2-NZ 3.54Å; E520-K526 PolarHBondContact OE2-NZ 3.5Å
521	S	43.6	Very low	51.1	Low	38 Å²	38	53.1 Å²	53.1	27%	0.266	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-99.4	-16.4	179.2	68.9	0	0	0	0	114.1	N518 N519 Q523	N518-S521 PolarHBondContact N-OG 2.96Å; N518-S521 PolarHBondContact O-N 3.08Å; N518-S521 PolarHBondContact O-OG 3.41Å; N518-S521 WeakPolarHBondContact OD1-CB 3.11Å; N518-S521 PolarHBondContact OD1-N 2.93Å; N519-S521 VanDerWaalsContact C-N 3.34Å; S521-Q523 PolarHBondContact O-N 2.72Å
522	C	45.3	Very low	49.4	Very low	4 Å²	4	55.4 Å²	55.4	3%	0.027	32%	0.32	C	S	.	.			trans	-68.1	98.4	159.5	170	0	0	0	0	107	T524 C525 K526 C534 W537 C540	C522-T524 PolarHBondContact O-N 2.9Å; C522-T524 VanDerWaalsContact O-N 3.12Å; C522-C525 HydrophobicContact CB-CB 4.04Å; C522-C525 WeakPolarHBondContact O-CB 3.42Å; C522-C525 PolarHBondContact O-N 3.05Å; C522-C525 PolarHBondContact SG-N 2.81Å; C522-K526 PolarHBondContact O-N 3.36Å; C522-C534 HydrophobicContact CB-CB 4.35Å; C522-C534 WeakPolarHBondContact CB-SG 3.28Å; C522-C534 WeakPolarHBondContact SG-CB 3.29Å; C522-C534 CovalentContact SG-SG 2.08Å; C522-C534 PolarHBondContact SG-SG 2.85Å; C522-W537 HydrophobicContact CB-CB 4.14Å; C522-C540 WeakPolarHBondContact CB-SG 3.44Å
523	Q	43.4	Very low	48.5	Very low	143 Å²	143	62 Å²	62	67%	0.668	35%	0.349	S	S	*	.	H	α-helix	trans	-57.1	-29.7	-179.1	-169.7	169.1	-0.7	0	0	111.4	S521 K526 T527	S521-Q523 PolarHBondContact O-N 2.72Å; Q523-K526 WeakPolarHBondContact O-CB 3.37Å; Q523-K526 PolarHBondContact O-N 3.29Å; Q523-T527 PolarHBondContact O-N 3.44Å; Q523-T527 VanDerWaalsContact O-N 3.15Å; Q523-T527 PolarHBondContact O-OG1 2.94Å
524	T	38.2	Very low	47.6	Very low	19 Å²	19	61.2 Å²	61.2	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-40.3	171.6	-33.6	0	0	0	0	113.4	I446 C522 K526 T527 S528 P535 H536	I446-T524 HydrophobicContact CD1-CG2 3.7Å; C522-T524 PolarHBondContact O-N 2.9Å; C522-T524 VanDerWaalsContact O-N 3.12Å; T524-K526 VanDerWaalsContact C-N 3.26Å; T524-K526 PolarHBondContact O-N 3.27Å; T524-T527 PolarHBondContact O-N 2.91Å; T524-T527 PolarHBondContact O-OG1 3.38Å; T524-S528 PolarHBondContact O-N 2.87Å; T524-S528 PolarHBondContact O-OG 3.29Å; T524-P535 HydrophobicContact CG2-CG 4.5Å; T524-H536 PolarHBondContact OG1-CD2 3.36Å
525	C	45.2	Very low	46.6	Very low	44 Å²	44	63.9 Å²	63.9	30%	0.297	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-31.2	173.2	-78.9	0	0	0	0	112.1	C522 C534	C522-C525 HydrophobicContact CB-CB 4.04Å; C522-C525 WeakPolarHBondContact O-CB 3.42Å; C522-C525 PolarHBondContact O-N 3.05Å; C522-C525 PolarHBondContact SG-N 2.81Å; C525-C534 VanDerWaalsContact SG-CB 3.56Å
526	K	45.6	Very low	45.5	Very low	114 Å²	114	66.1 Å²	66.1	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-71	-28.4	173.9	-96.4	-178.7	171.4	151.8	0	113.9	E520 C522 Q523 T524	E520-K526 WeakPolarHBondContact O-CD 3.13Å; E520-K526 WeakPolarHBondContact O-CE 3.03Å; E520-K526 PolarHBondContact O-NZ 2.7Å; E520-K526 WeakPolarHBondContact OE2-CE 3.22Å; E520-K526 IonicContact OE2-NZ 3.54Å; E520-K526 PolarHBondContact OE2-NZ 3.5Å; C522-K526 PolarHBondContact O-N 3.36Å; Q523-K526 WeakPolarHBondContact O-CB 3.37Å; Q523-K526 PolarHBondContact O-N 3.29Å; T524-K526 VanDerWaalsContact C-N 3.26Å; T524-K526 PolarHBondContact O-N 3.27Å
527	T	45.5	Very low	45	Very low	70 Å²	70	66.5 Å²	66.5	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-99.4	-20	-178.7	54.5	0	0	0	0	114.2	I448 Q523 T524	I448-T527 VanDerWaalsContact CD1-CB 3.47Å; I448-T527 HydrophobicContact CD1-CG2 3.51Å; Q523-T527 PolarHBondContact O-N 3.44Å; Q523-T527 VanDerWaalsContact O-N 3.15Å; Q523-T527 PolarHBondContact O-OG1 2.94Å; T524-T527 PolarHBondContact O-N 2.91Å; T524-T527 PolarHBondContact O-OG1 3.38Å
528	S	48.6	Very low	44.5	Very low	41 Å²	41	67.2 Å²	67.2	29%	0.287	38%	0.379	S	S	.	.			trans	-131.9	84.9	175.9	51.2	0	0	0	0	110.4	T524 S530	T524-S528 PolarHBondContact O-N 2.87Å; T524-S528 PolarHBondContact O-OG 3.29Å; S528-S530 PolarHBondContact O-N 2.9Å; S528-S530 VanDerWaalsContact O-N 3.09Å
529	P	46.1	Very low	44.2	Very low	116 Å²	116	66 Å²	66	75%	0.753	37%	0.373	S	S	*	.			trans	-79.4	22.5	-178.6	34.7	-37.9	0	0	0	113.6
530	S	44.5	Very low	44.2	Very low	83 Å²	83	64.2 Å²	64.2	58%	0.58	36%	0.363	S	S	*	.	S	Bend	trans	-69.7	145.7	170.2	48.6	0	0	0	0	110.7	S528 G532	S528-S530 PolarHBondContact O-N 2.9Å; S528-S530 VanDerWaalsContact O-N 3.09Å; S530-G532 PolarHBondContact O-N 2.89Å
531	D	46.5	Very low	44.1	Very low	178 Å²	178	60.6 Å²	60.6	95%	0.952	35%	0.348	S	S	*	.	S	Bend	trans	-67.4	27.3	-176.9	-50.8	-82.2	0	0	0	115.9
532	G	43.4	Very low	44.1	Very low	54 Å²	54	62.7 Å²	62.7	56%	0.557	36%	0.359	S	S	*	.	S	Bend	trans	-90.3	167.8	175.2	0	0	0	0	0	113.2	S530	S530-G532 PolarHBondContact O-N 2.89Å
533	Q	46.4	Very low	43.8	Very low	156 Å²	156	62.9 Å²	62.9	73%	0.729	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-67.5	129.2	177.6	-70.2	164.4	-14.8	0	0	110.6	P535 N541	Q533-P535 WeakPolarHBondContact O-CD 3.18Å; Q533-P535 VanDerWaalsContact O-N 3.09Å; Q533-N541 WeakPolarHBondContact CA-OD1 3.47Å
534	C	42.2	Very low	43.5	Very low	6 Å²	6	61.1 Å²	61.1	4%	0.041	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-54.5	116.8	170.1	170.9	0	0	0	0	107.5	C522 C525 H536 W537 C540 N541	C522-C534 HydrophobicContact CB-CB 4.35Å; C522-C534 WeakPolarHBondContact CB-SG 3.28Å; C522-C534 WeakPolarHBondContact SG-CB 3.29Å; C522-C534 CovalentContact SG-SG 2.08Å; C522-C534 PolarHBondContact SG-SG 2.85Å; C525-C534 VanDerWaalsContact SG-CB 3.56Å; C534-H536 PolarHBondContact O-N 2.92Å; C534-W537 WeakPolarHBondContact SG-CB 3.34Å; C534-W537 PolarHBondContact SG-N 2.8Å; C534-W537 VanDerWaalsContact SG-N 3.39Å; C534-C540 HydrophobicContact CB-CB 3.51Å; C534-N541 PolarHBondContact N-OD1 2.84Å; C534-N541 PolarHBondContact O-ND2 3.33Å
535	P	39.1	Very low	43.4	Very low	58 Å²	58	68 Å²	68	38%	0.377	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.3	-171.6	-14.9	28.9	0	0	0	113.3	L443 T524 Q533	L443-P535 HydrophobicContact CD1-CB 4.04Å; L443-P535 WeakPolarHBondContact CD1-O 3.4Å; L443-P535 HydrophobicContact CD2-CB 3.39Å; L443-P535 HydrophobicContact CG-CB 4.33Å; T524-P535 HydrophobicContact CG2-CG 4.5Å; Q533-P535 WeakPolarHBondContact O-CD 3.18Å; Q533-P535 VanDerWaalsContact O-N 3.09Å
536	H	40.8	Very low	43	Very low	49 Å²	49	70.4 Å²	70.4	23%	0.227	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-3	-170.7	-59.7	-103.4	0	0	0	114.1	V386 L443 T524 C534	V386-H536 WeakPolarHBondContact CG2-O 3.38Å; L443-H536 HydrophobicContact CD1-CB 4.44Å; L443-H536 VanDerWaalsContact CD1-CE1 3.47Å; L443-H536 WeakPolarHBondContact CD1-CE1 3.22Å; L443-H536 WeakPolarHBondContact CD1-ND1 3.4Å; T524-H536 PolarHBondContact OG1-CD2 3.36Å; C534-H536 PolarHBondContact O-N 2.92Å
537	W	47.9	Very low	42.3	Very low	34 Å²	34	68 Å²	68	13%	0.129	39%	0.392	C	S	.	.			trans	-151.2	108.5	-173.6	-154.7	-89	0	0	0	111.4	V184 V386 C522 C534 S539 C540 I562 L600 Y616	V184-W537 HydrophobicContact CG2-CH2 4.22Å; V386-W537 HydrophobicContact CG2-CE3 4.42Å; C522-W537 HydrophobicContact CB-CB 4.14Å; C534-W537 WeakPolarHBondContact SG-CB 3.34Å; C534-W537 PolarHBondContact SG-N 2.8Å; C534-W537 VanDerWaalsContact SG-N 3.39Å; W537-S539 VanDerWaalsContact C-N 3.26Å; W537-S539 PolarHBondContact NE1-OG 2.89Å; W537-S539 VanDerWaalsContact NE1-OG 3.11Å; W537-S539 PolarHBondContact O-N 3.34Å; W537-C540 PolarHBondContact O-N 3.46Å; W537-I562 HydrophobicContact CZ2-CD1 4.04Å; W537-L600 HydrophobicContact CH2-CD1 3.74Å; W537-L600 HydrophobicContact CH2-CD2 4.03Å; W537-L600 HydrophobicContact CZ2-CD1 4.24Å; W537-L600 HydrophobicContact CZ3-CD1 4.42Å; W537-Y616 HydrophobicContact CZ2-CD2 4.46Å; W537-Y616 HydrophobicContact CZ2-CE2 4.35Å
538	P	45.6	Very low	41.4	Very low	16 Å²	16	69.4 Å²	69.4	10%	0.104	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.9	-172	26.5	-35.4	0	0	0	112.6	E388 C540 N541 T542 Y616	E388-P538 HydrophobicContact CG-CB 4.28Å; E388-P538 WeakPolarHBondContact OE1-CB 3.1Å; P538-C540 PolarHBondContact O-N 3.21Å; P538-C540 VanDerWaalsContact O-N 3.1Å; P538-N541 PolarHBondContact O-N 3Å; P538-T542 PolarHBondContact O-N 3.08Å; P538-T542 PolarHBondContact O-OG1 3.39Å; P538-Y616 HydrophobicContact CG-CD1 3.48Å; P538-Y616 VanDerWaalsContact CG-CD1 3.48Å; P538-Y616 HydrophobicContact CG-CD2 4.36Å; P538-Y616 HydrophobicContact CG-CE1 3.9Å; P538-Y616 HydrophobicContact CG-CG 3.72Å
539	S	44.5	Very low	40.4	Very low	2 Å²	2	74.2 Å²	74.2	1%	0.014	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-14.7	-176.3	98.3	0	0	0	0	114.8	W537 T542 R543 Y616	W537-S539 VanDerWaalsContact C-N 3.26Å; W537-S539 PolarHBondContact NE1-OG 2.89Å; W537-S539 VanDerWaalsContact NE1-OG 3.11Å; W537-S539 PolarHBondContact O-N 3.34Å; S539-T542 WeakPolarHBondContact CA-OG1 3.33Å; S539-R543 VanDerWaalsContact O-CB 3.28Å; S539-R543 WeakPolarHBondContact O-CB 3.26Å; S539-R543 WeakPolarHBondContact O-CD 3.32Å; S539-R543 WeakPolarHBondContact O-CG 3.46Å; S539-R543 PolarHBondContact O-N 3.3Å; S539-Y616 VanDerWaalsContact CB-OH 3.26Å; S539-Y616 WeakPolarHBondContact CB-OH 3.36Å
540	C	44.1	Very low	39.6	Very low	4 Å²	4	76.6 Å²	76.6	3%	0.027	43%	0.428	C	S	.	.	H	α-helix	trans	-76.6	-31.4	177.1	-68.9	0	0	0	0	112.1	C522 C534 W537 P538 N544	C522-C540 WeakPolarHBondContact CB-SG 3.44Å; C534-C540 HydrophobicContact CB-CB 3.51Å; W537-C540 PolarHBondContact O-N 3.46Å; P538-C540 PolarHBondContact O-N 3.21Å; P538-C540 VanDerWaalsContact O-N 3.1Å; C540-N544 PolarHBondContact O-ND2 3.25Å; C540-N544 PolarHBondContact O-OD1 3.44Å
541	N	39.5	Very low	38.8	Very low	43 Å²	43	79.1 Å²	79.1	23%	0.23	44%	0.435	C	S	.	.	H	α-helix	trans	-85.3	-42.2	-175	-53.3	-33.4	0	0	0	110.4	Q533 C534 P538	Q533-N541 WeakPolarHBondContact CA-OD1 3.47Å; C534-N541 PolarHBondContact N-OD1 2.84Å; C534-N541 PolarHBondContact O-ND2 3.33Å; P538-N541 PolarHBondContact O-N 3Å
542	T	44	Very low	38.2	Very low	82 Å²	82	78.6 Å²	78.6	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-70	-28.2	177.5	52.2	0	0	0	0	113.2	P538 S539	P538-T542 PolarHBondContact O-N 3.08Å; P538-T542 PolarHBondContact O-OG1 3.39Å; S539-T542 WeakPolarHBondContact CA-OG1 3.33Å
543	R	38.5	Very low	37.7	Very low	9 Å²	9	82.2 Å²	82.2	3%	0.034	44%	0.435	C	S	.	.	H	α-helix	trans	-71.2	-38.9	174.3	-79.7	176	-176	-173.3	-0.7	114.2	S517 N519 S539 Q545 T546 N558 K560	S517-R543 VanDerWaalsContact C-NH1 3.3Å; S517-R543 PolarHBondContact O-NH1 3.05Å; S517-R543 PolarHBondContact O-NH2 3.1Å; S517-R543 PolarHBondContact OG-NH2 3.35Å; N519-R543 WeakPolarHBondContact OD1-CD 3.12Å; S539-R543 VanDerWaalsContact O-CB 3.28Å; S539-R543 WeakPolarHBondContact O-CB 3.26Å; S539-R543 WeakPolarHBondContact O-CD 3.32Å; S539-R543 WeakPolarHBondContact O-CG 3.46Å; S539-R543 PolarHBondContact O-N 3.3Å; R543-Q545 PolarHBondContact O-N 2.9Å; R543-T546 PolarHBondContact O-N 2.87Å; R543-T546 PolarHBondContact O-OG1 3.05Å; R543-N558 PolarHBondContact NH1-O 3.28Å; R543-K560 VanDerWaalsContact NH2-N 3.17Å
544	N	37.5	Very low	37.2	Very low	106 Å²	106	77.5 Å²	77.5	57%	0.567	42%	0.419	S	S	*	.	H	α-helix	trans	-67	-17.1	-178.2	-70.6	-4	0	0	0	112.4	N519 C540	N519-N544 PolarHBondContact ND2-OD1 3.21Å; C540-N544 PolarHBondContact O-ND2 3.25Å; C540-N544 PolarHBondContact O-OD1 3.44Å
545	Q	36.4	Very low	37	Very low	162 Å²	162	86.5 Å²	86.5	76%	0.757	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.6	-178.2	-68.4	-174.7	-15.3	0	0	115	R543	R543-Q545 PolarHBondContact O-N 2.9Å
546	T	36.8	Very low	37.1	Very low	96 Å²	96	90.4 Å²	90.4	59%	0.589	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.2	-179.2	57.5	0	0	0	0	114.8	R543	R543-T546 PolarHBondContact O-N 2.87Å; R543-T546 PolarHBondContact O-OG1 3.05Å
547	N	31.1	Very low	37.1	Very low	64 Å²	64	91 Å²	91	34%	0.342	48%	0.478	S	S	.	.			trans	-110.2	37.6	-163.7	-67.6	6.9	0	0	0	113.3	S557 N558	N547-S557 PolarHBondContact ND2-O 2.79Å; N547-S557 PolarHBondContact ND2-OG 3.11Å; N547-N558 PolarHBondContact ND2-OD1 3.06Å
548	S	25.6	Very low	37.1	Very low	98 Å²	98	92 Å²	92	69%	0.685	49%	0.486	S	S	*	.			trans	-101.1	24.6	-176.6	61.1	0	0	0	0	115.5
549	I	28.8	Very low	37.6	Very low	143 Å²	143	93 Å²	93	73%	0.733	49%	0.492	S	S	*	.	S	Bend	trans	-130.7	108.2	166.7	-70.9	94.2	0	0	0	110.5
550	M	27.7	Very low	38.5	Very low	166 Å²	166	98 Å²	98	82%	0.818	51%	0.513	S	S	*	.			trans	58.1	153.7	144.1	-64.6	-175.8	161.6	0	0	123.3
551	D	28.8	Very low	39.7	Very low	136 Å²	136	98.6 Å²	98.6	73%	0.727	52%	0.517	S	S	*	.			trans	74.6	143.2	162.4	-55.9	-21.1	0	0	0	121.5	E553 S554	D551-E553 VanDerWaalsContact C-N 3.3Å; D551-E553 PolarHBondContact O-N 3.45Å; D551-E553 VanDerWaalsContact O-N 3.14Å; D551-S554 VanDerWaalsContact O-CB 3.28Å; D551-S554 WeakPolarHBondContact O-CB 3.38Å; D551-S554 PolarHBondContact O-N 3.31Å; D551-S554 PolarHBondContact O-OG 3.14Å
552	D	33.6	Very low	41.2	Very low	166 Å²	166	96.6 Å²	96.6	89%	0.888	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	4.2	-155.3	-110.7	-41.8	0	0	0	116.2
553	E	33.5	Very low	42.9	Very low	131 Å²	131	93 Å²	93	61%	0.612	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.5	166	-89	-83.9	135.8	0	0	112.4	D551 K555 K556	D551-E553 VanDerWaalsContact C-N 3.3Å; D551-E553 PolarHBondContact O-N 3.45Å; D551-E553 VanDerWaalsContact O-N 3.14Å; E553-K555 PolarHBondContact O-N 3.34Å; E553-K556 PolarHBondContact O-N 2.66Å; E553-K556 IonicContact OE1-NZ 2.7Å; E553-K556 PolarHBondContact OE1-NZ 3.39Å; E553-K556 WeakPolarHBondContact OE2-CD 3.26Å; E553-K556 WeakPolarHBondContact OE2-CE 3.38Å; E553-K556 IonicContact OE2-NZ 3.86Å; E553-K556 PolarHBondContact OE2-NZ 3.15Å
554	S	34.5	Very low	44.8	Very low	56 Å²	56	94 Å²	94	39%	0.392	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-50.4	-19.1	-170.9	57.2	0	0	0	0	117.7	D551 K556 S557	D551-S554 VanDerWaalsContact O-CB 3.28Å; D551-S554 WeakPolarHBondContact O-CB 3.38Å; D551-S554 PolarHBondContact O-N 3.31Å; D551-S554 PolarHBondContact O-OG 3.14Å; S554-K556 PolarHBondContact O-N 3.07Å; S554-K556 VanDerWaalsContact O-N 3.08Å; S554-S557 PolarHBondContact O-N 3.49Å; S554-S557 PolarHBondContact O-OG 3Å
555	K	38.6	Very low	47.1	Very low	195 Å²	195	89.5 Å²	89.5	85%	0.848	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18.2	176.4	-73.2	-177.2	179.9	173.4	0	113.9	E553	E553-K555 PolarHBondContact O-N 3.34Å
556	K	40.7	Very low	49.5	Very low	140 Å²	140	81.9 Å²	81.9	61%	0.609	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-83.3	-21.2	174.6	-65.6	168.5	-173.4	159.9	0	113.8	E553 S554 N558	E553-K556 PolarHBondContact O-N 2.66Å; E553-K556 IonicContact OE1-NZ 2.7Å; E553-K556 PolarHBondContact OE1-NZ 3.39Å; E553-K556 WeakPolarHBondContact OE2-CD 3.26Å; E553-K556 WeakPolarHBondContact OE2-CE 3.38Å; E553-K556 IonicContact OE2-NZ 3.86Å; E553-K556 PolarHBondContact OE2-NZ 3.15Å; S554-K556 PolarHBondContact O-N 3.07Å; S554-K556 VanDerWaalsContact O-N 3.08Å; K556-N558 VanDerWaalsContact C-N 3.32Å; K556-N558 PolarHBondContact O-N 3.47Å
557	S	42.2	Very low	52	Low	61 Å²	61	77.3 Å²	77.3	43%	0.427	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.2	-171	68.6	0	0	0	0	114.9	N547 S554 V559	N547-S557 PolarHBondContact ND2-O 2.79Å; N547-S557 PolarHBondContact ND2-OG 3.11Å; S554-S557 PolarHBondContact O-N 3.49Å; S554-S557 PolarHBondContact O-OG 3Å; S557-V559 VanDerWaalsContact C-N 3.34Å; S557-V559 PolarHBondContact O-N 2.08Å
558	N	47.9	Very low	54.6	Low	56 Å²	56	74.3 Å²	74.3	30%	0.299	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.5	-176.9	-69.6	-27.7	0	0	0	114	R543 N547 K556	R543-N558 PolarHBondContact NH1-O 3.28Å; N547-N558 PolarHBondContact ND2-OD1 3.06Å; K556-N558 VanDerWaalsContact C-N 3.32Å; K556-N558 PolarHBondContact O-N 3.47Å
559	V	54.9	Low	57.3	Low	37 Å²	37	69.7 Å²	69.7	22%	0.224	36%	0.355	C	S	.	.			trans	-126.8	122.5	-177.5	-142.1	0	0	0	0	109.7	W516 S517 N518 S557	W516-V559 HydrophobicContact CB-CG1 3.79Å; W516-V559 HydrophobicContact CD2-CG1 4.27Å; W516-V559 HydrophobicContact CE3-CB 3.97Å; W516-V559 HydrophobicContact CE3-CG1 3.67Å; W516-V559 HydrophobicContact CG-CG1 4.37Å; W516-V559 HydrophobicContact CZ3-CB 4.46Å; S517-V559 VanDerWaalsContact O-CG1 3.28Å; S517-V559 WeakPolarHBondContact O-CG1 3.34Å; N518-V559 HydrophobicContact CB-CG1 4.3Å; S557-V559 VanDerWaalsContact C-N 3.34Å; S557-V559 PolarHBondContact O-N 2.08Å
560	K	63.1	Low	59.7	Low	108 Å²	108	63.1 Å²	63.1	47%	0.47	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.4	170.7	-64.6	-170.6	178.4	-175.7	0	109.7	S517 R543	S517-K560 PolarHBondContact N-O 3.19Å; R543-K560 VanDerWaalsContact NH2-N 3.17Å
561	P	69.9	Low	61.7	Low	16 Å²	16	55.3 Å²	55.3	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	156.9	169.6	29.8	-34.6	0	0	0	110.9	T514 I515 W516 R594 S597	T514-P561 HydrophobicContact CG2-CB 3.6Å; I515-P561 CarbonylContact O-C 3.56Å; I515-P561 WeakPolarHBondContact O-CA 3.25Å; W516-P561 HydrophobicContact CH2-CB 4.42Å; W516-P561 HydrophobicContact CH2-CG 4.43Å; W516-P561 HydrophobicContact CZ2-CB 4.48Å; W516-P561 HydrophobicContact CZ3-CB 4.48Å; W516-P561 VanDerWaalsContact CZ3-CD 3.49Å; W516-P561 HydrophobicContact CZ3-CG 4.47Å; P561-R594 HydrophobicContact CB-CB 4.46Å; P561-R594 WeakPolarHBondContact CG-O 3.46Å; P561-S597 WeakPolarHBondContact O-CB 3.25Å
562	I	70.8	Confident	63.1	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.6	169.7	-73.6	-178.3	0	0	0	107.9	I515 S517 W537 V564 D598 L600 Y616	I515-I562 PolarHBondContact O-N 2.95Å; S517-I562 VanDerWaalsContact OG-CD1 3.23Å; S517-I562 WeakPolarHBondContact OG-CD1 3.31Å; W537-I562 HydrophobicContact CZ2-CD1 4.04Å; I562-V564 HydrophobicContact CG2-CG2 3.98Å; I562-D598 CarbonylContact C-O 3.52Å; I562-D598 WeakPolarHBondContact CA-O 3.4Å; I562-L600 HydrophobicContact CG2-CB 3.49Å; I562-L600 VanDerWaalsContact CG2-CB 3.49Å; I562-Y616 HydrophobicContact CD1-CE2 4.05Å
563	C	80.5	Confident	64.3	Low	7 Å²	7	43.9 Å²	43.9	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.7	165.3	-179.6	0	0	0	0	108.7	S597 D598 I599 L600	C563-S597 WeakPolarHBondContact CB-OG 3.27Å; C563-S597 PolarHBondContact N-OG 2.95Å; C563-D598 PolarHBondContact N-O 3.12Å; C563-I599 WeakPolarHBondContact O-CA 3.49Å; C563-L600 PolarHBondContact O-N 3.19Å
564	V	78.7	Confident	65.8	Low	31 Å²	31	38.8 Å²	38.8	19%	0.188	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.3	172.8	178.5	0	0	0	0	109.3	V288 I515 I562 L600 I602	V288-V564 HydrophobicContact CG1-CG1 4.41Å; I515-V564 HydrophobicContact CB-CG2 4.31Å; I515-V564 HydrophobicContact CD1-CB 4.21Å; I515-V564 HydrophobicContact CD1-CG2 3.48Å; I515-V564 VanDerWaalsContact CD1-CG2 3.48Å; I515-V564 HydrophobicContact CG1-CG2 4.46Å; I562-V564 HydrophobicContact CG2-CG2 3.98Å; V564-L600 WeakPolarHBondContact CA-O 3.26Å; V564-L600 HydrophobicContact CG2-CB 4.28Å; V564-L600 HydrophobicContact CG2-CD2 4.06Å; V564-I602 HydrophobicContact CG1-CD1 3.88Å; V564-I602 HydrophobicContact CG1-CG1 4.36Å
565	Q	85.5	Confident	67.1	Low	10 Å²	10	36.3 Å²	36.3	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.8	174	-177.5	179.5	49.3	0	0	109.4	E583 S587 L600 R601 I602	Q565-E583 PolarHBondContact NE2-O 3.37Å; Q565-S587 PolarHBondContact NE2-OG 2.91Å; Q565-S587 PolarHBondContact OE1-OG 2.92Å; Q565-L600 PolarHBondContact N-O 3.32Å; Q565-R601 CarbonylContact O-C 3.55Å; Q565-R601 WeakPolarHBondContact O-CA 3.48Å; Q565-I602 PolarHBondContact O-N 3.47Å
566	I	86.3	Confident	68.9	Low	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.4	165.6	-61.7	-52.9	0	0	0	109.5	R281 E285 V288 I602 L604	R281-I566 WeakPolarHBondContact CD-O 3.23Å; R281-I566 HydrophobicContact CG-CB 3.94Å; R281-I566 HydrophobicContact CG-CG2 4.16Å; R281-I566 WeakPolarHBondContact CG-O 3.25Å; E285-I566 HydrophobicContact CG-CB 4Å; E285-I566 HydrophobicContact CG-CG1 3.74Å; V288-I566 HydrophobicContact CG2-CD1 3.77Å; V288-I566 HydrophobicContact CG2-CG1 4.29Å; I566-I602 HydrophobicContact CD1-CB 3.89Å; I566-I602 HydrophobicContact CD1-CD1 4.28Å; I566-I602 HydrophobicContact CD1-CG2 4.28Å; I566-L604 HydrophobicContact CD1-CD2 4.32Å; I566-L604 HydrophobicContact CG2-CD2 4.06Å; I566-L604 HydrophobicContact CG2-CG 4.23Å
567	K	88.5	Confident	70.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.7	162.4	177.4	162.4	177.1	140.5	0	110.8	E569 E577 I578 L579 E583 R601 I602 R603 L604	K567-E569 WeakPolarHBondContact CD-OE1 3.37Å; K567-E569 VanDerWaalsContact CE-OE1 3.28Å; K567-E569 WeakPolarHBondContact CE-OE1 3.4Å; K567-E569 WeakPolarHBondContact CG-OE1 3.27Å; K567-E577 PolarHBondContact NZ-O 2.76Å; K567-I578 PolarHBondContact NZ-O 3.05Å; K567-L579 HydrophobicContact CD-CD2 3.82Å; K567-E583 VanDerWaalsContact CD-OE1 3.26Å; K567-E583 WeakPolarHBondContact CD-OE1 3.33Å; K567-E583 WeakPolarHBondContact CE-OE1 3.42Å; K567-E583 VanDerWaalsContact NZ-CD 3.3Å; K567-E583 IonicContact NZ-OE1 2.72Å; K567-E583 PolarHBondContact NZ-OE1 3.26Å; K567-E583 VanDerWaalsContact NZ-OE1 3.12Å; K567-E583 IonicContact NZ-OE2 2.71Å; K567-E583 PolarHBondContact NZ-OE2 3.45Å; K567-R601 HydrophobicContact CB-CG 4.48Å; K567-I602 PolarHBondContact N-O 3.34Å; K567-R603 HydrophobicContact CB-CG 4.2Å; K567-R603 WeakPolarHBondContact O-CA 3.42Å; K567-L604 PolarHBondContact O-N 3.12Å
568	P	86.9	Confident	72.8	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.4	168.7	-10.8	27.7	0	0	0	110.2	R277 A280 R281 Y570 P606	R277-P568 PolarHBondContact NH1-O 3.25Å; A280-P568 HydrophobicContact CB-CB 3.99Å; A280-P568 HydrophobicContact CB-CG 3.81Å; R281-P568 HydrophobicContact CB-CG 4.06Å; P568-Y570 HydrophobicContact CB-CE2 3.9Å; P568-P606 HydrophobicContact CB-CB 4.33Å; P568-P606 HydrophobicContact CB-CG 3.85Å
569	E	82.9	Confident	74.5	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.097	C	C	.	.			trans	-112.3	116.6	-176	-64.7	-67.9	159.1	0	0	111.3	K567 C576 E577 R603 L604 P606 I612	K567-E569 WeakPolarHBondContact CD-OE1 3.37Å; K567-E569 VanDerWaalsContact CE-OE1 3.28Å; K567-E569 WeakPolarHBondContact CE-OE1 3.4Å; K567-E569 WeakPolarHBondContact CG-OE1 3.27Å; E569-C576 WeakPolarHBondContact OE2-CA 3.3Å; E569-E577 WeakPolarHBondContact OE2-CB 3.47Å; E569-E577 PolarHBondContact OE2-N 2.68Å; E569-R603 HydrophobicContact CG-CB 3.82Å; E569-R603 HydrophobicContact CG-CG 4.37Å; E569-R603 WeakPolarHBondContact OE1-CD 3.23Å; E569-R603 VanDerWaalsContact OE1-CG 3.29Å; E569-R603 WeakPolarHBondContact OE1-CG 3.46Å; E569-R603 IonicContact OE1-CZ 3.87Å; E569-R603 IonicContact OE1-NE 2.73Å; E569-R603 IonicContact OE1-NH1 3.92Å; E569-R603 PolarHBondContact OE1-NH1 3.43Å; E569-R603 IonicContact OE2-NH1 2.76Å; E569-L604 PolarHBondContact N-O 3.29Å; E569-P606 WeakPolarHBondContact O-CD 3.39Å; E569-I612 HydrophobicContact CB-CD1 3.43Å; E569-I612 VanDerWaalsContact CB-CD1 3.43Å; E569-I612 HydrophobicContact CG-CD1 3.68Å
570	Y	77.7	Confident	75.9	Confident	6 Å²	6	20 Å²	20	2%	0.024	10%	0.101	C	C	.	.	S	Bend	trans	-96.9	-7.7	-179.1	-61.6	-94.6	0	0	0	113	P276 R277 P568 E577 P606 V727 R729	P276-Y570 PolarHBondContact O-OH 2.93Å; R277-Y570 WeakPolarHBondContact CA-OH 3.41Å; R277-Y570 HydrophobicContact CB-CE2 4.22Å; R277-Y570 HydrophobicContact CG-CE2 4.13Å; P568-Y570 HydrophobicContact CB-CE2 3.9Å; Y570-E577 PolarHBondContact N-OE2 3.29Å; Y570-P606 HydrophobicContact CD1-CG 3.88Å; Y570-P606 HydrophobicContact CD2-CG 4.33Å; Y570-P606 HydrophobicContact CE1-CB 4.09Å; Y570-P606 HydrophobicContact CE1-CG 3.47Å; Y570-P606 VanDerWaalsContact CE1-CG 3.47Å; Y570-P606 HydrophobicContact CE2-CG 3.96Å; Y570-P606 HydrophobicContact CG-CG 4.3Å; Y570-V727 HydrophobicContact CD1-CB 3.91Å; Y570-V727 HydrophobicContact CD1-CG1 3.64Å; Y570-V727 HydrophobicContact CD1-CG2 4.12Å; Y570-V727 HydrophobicContact CD2-CG1 3.76Å; Y570-V727 HydrophobicContact CE1-CB 4.04Å; Y570-V727 HydrophobicContact CE1-CG1 3.67Å; Y570-V727 HydrophobicContact CE1-CG2 3.8Å; Y570-V727 HydrophobicContact CE2-CG1 3.8Å; Y570-V727 HydrophobicContact CG-CB 4.33Å; Y570-V727 HydrophobicContact CG-CG1 3.69Å; Y570-R729 VanDerWaalsContact O-CZ 3.27Å; Y570-R729 PolarHBondContact O-NH1 2.88Å
571	L	69.5	Low	76.9	Confident	1 Å²	1	20 Å²	20	1%	0.005	11%	0.106	C	C	.	.			trans	-107.7	10.5	177.3	-70.4	-170.2	0	0	0	114.9	L114 D573 W574 G575 E577 R729 L730 L732	L114-L571 HydrophobicContact CD1-CD1 4.27Å; L114-L571 HydrophobicContact CD1-CD2 4.04Å; L114-L571 HydrophobicContact CD2-CD2 4.06Å; L114-L571 HydrophobicContact CG-CD2 4.48Å; L571-D573 VanDerWaalsContact C-N 3.28Å; L571-D573 PolarHBondContact O-N 3.48Å; L571-W574 WeakPolarHBondContact O-CA 3.09Å; L571-W574 WeakPolarHBondContact O-CB 3.37Å; L571-W574 PolarHBondContact O-N 2.92Å; L571-G575 CarbonylContact C-O 3.37Å; L571-G575 VanDerWaalsContact C-O 3.27Å; L571-G575 PolarHBondContact O-N 3.09Å; L571-G575 VanDerWaalsContact O-O 3.09Å; L571-E577 HydrophobicContact CB-CG 4.01Å; L571-E577 HydrophobicContact CD1-CG 4.14Å; L571-E577 HydrophobicContact CG-CG 4.04Å; L571-R729 HydrophobicContact CD1-CB 4.23Å; L571-R729 HydrophobicContact CD2-CB 3.79Å; L571-R729 HydrophobicContact CD2-CG 3.58Å; L571-R729 HydrophobicContact CG-CB 3.93Å; L571-R729 HydrophobicContact CG-CG 3.92Å; L571-L730 WeakPolarHBondContact CD1-O 3.32Å; L571-L732 HydrophobicContact CB-CD2 3.84Å; L571-L732 HydrophobicContact CD1-CD2 3.69Å; L571-L732 HydrophobicContact CD1-CG 3.91Å; L571-L732 HydrophobicContact CG-CD2 4.43Å
572	G	59.9	Low	77.6	Confident	5 Å²	5	22.9 Å²	22.9	5%	0.052	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.5	-165.2	0	0	0	0	0	117.8	W574 G575 Y605	G572-W574 PolarHBondContact O-N 2.75Å; G572-G575 WeakPolarHBondContact CA-O 3.41Å; G572-G575 PolarHBondContact N-O 2.77Å; G572-Y605 WeakPolarHBondContact CA-OH 3.38Å; G572-Y605 PolarHBondContact O-OH 3.47Å
573	D	58.5	Low	78.4	Confident	57 Å²	57	23.8 Å²	23.8	31%	0.305	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.6	173.7	-84.4	-32	0	0	0	113.8	L571 Y605 L755	L571-D573 VanDerWaalsContact C-N 3.28Å; L571-D573 PolarHBondContact O-N 3.48Å; D573-Y605 PolarHBondContact N-OH 2.93Å; D573-L755 CarbonylContact C-O 3.27Å; D573-L755 WeakPolarHBondContact O-CB 3.31Å
574	W	63.4	Low	78.9	Confident	25 Å²	25	23.6 Å²	23.6	10%	0.095	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-28.9	175.6	-53.8	111.4	0	0	0	111.7	P59 Y61 V110 L114 L571 G572 L732 L755	P59-W574 VanDerWaalsContact CD-CZ2 3.43Å; P59-W574 HydrophobicContact CG-CE3 4.39Å; P59-W574 HydrophobicContact CG-CH2 3.77Å; P59-W574 HydrophobicContact CG-CZ2 3.84Å; P59-W574 HydrophobicContact CG-CZ3 4.03Å; Y61-W574 HydrophobicContact CE1-CZ3 4.48Å; V110-W574 HydrophobicContact CG1-CB 4.29Å; V110-W574 HydrophobicContact CG1-CD2 4.1Å; V110-W574 HydrophobicContact CG1-CE3 3.78Å; V110-W574 HydrophobicContact CG1-CG 4.31Å; L114-W574 HydrophobicContact CD1-CB 3.87Å; L114-W574 HydrophobicContact CD1-CD2 4.46Å; L114-W574 HydrophobicContact CD1-CG 3.74Å; L114-W574 HydrophobicContact CD2-CG 4.37Å; L571-W574 WeakPolarHBondContact O-CA 3.09Å; L571-W574 WeakPolarHBondContact O-CB 3.37Å; L571-W574 PolarHBondContact O-N 2.92Å; G572-W574 PolarHBondContact O-N 2.75Å; W574-L732 HydrophobicContact CB-CD1 4.06Å; W574-L732 HydrophobicContact CB-CD2 4.27Å; W574-L755 HydrophobicContact CE3-CB 3.9Å; W574-L755 HydrophobicContact CE3-CD1 3.89Å; W574-L755 HydrophobicContact CE3-CG 4.47Å; W574-L755 HydrophobicContact CZ3-CB 4.27Å; W574-L755 HydrophobicContact CZ3-CD1 4.09Å; W574-L755 WeakPolarHBondContact O-CD2 3.19Å
575	G	63.7	Low	79.4	Confident	3 Å²	3	23 Å²	23	3%	0.031	12%	0.116	C	C	.	.			trans	153.9	-168.1	174.1	0	0	0	0	0	112.1	L571 G572	L571-G575 CarbonylContact C-O 3.37Å; L571-G575 VanDerWaalsContact C-O 3.27Å; L571-G575 PolarHBondContact O-N 3.09Å; L571-G575 VanDerWaalsContact O-O 3.09Å; G572-G575 WeakPolarHBondContact CA-O 3.41Å; G572-G575 PolarHBondContact N-O 2.77Å
576	C	75.4	Confident	79.6	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.014	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-87.8	145.6	175	-63.7	0	0	0	0	111.2	E569 L732 D733 I736	E569-C576 WeakPolarHBondContact OE2-CA 3.3Å; C576-L732 CarbonylContact O-C 3.55Å; C576-L732 WeakPolarHBondContact O-CA 3.45Å; C576-D733 PolarHBondContact O-N 3.03Å; C576-I736 HydrophobicContact CB-CD1 3.79Å; C576-I736 HydrophobicContact CB-CG2 4.26Å
577	E	81.4	Confident	79.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-78	141	177.7	-72.4	-178.7	106	0	0	112.1	R277 K567 E569 Y570 L571 R603 R729 L730 R731	R277-E577 IonicContact CZ-OE1 3.03Å; R277-E577 IonicContact CZ-OE2 2.69Å; R277-E577 IonicContact NH1-OE1 3.63Å; R277-E577 IonicContact NH1-OE2 2.92Å; R277-E577 PolarHBondContact NH1-OE2 3.28Å; R277-E577 VanDerWaalsContact NH2-CD 3.34Å; R277-E577 IonicContact NH2-OE1 2.89Å; R277-E577 PolarHBondContact NH2-OE1 3.47Å; R277-E577 IonicContact NH2-OE2 3.76Å; R277-E577 PolarHBondContact NH2-OE2 2.96Å; K567-E577 PolarHBondContact NZ-O 2.76Å; E569-E577 WeakPolarHBondContact OE2-CB 3.47Å; E569-E577 PolarHBondContact OE2-N 2.68Å; Y570-E577 PolarHBondContact N-OE2 3.29Å; L571-E577 HydrophobicContact CB-CG 4.01Å; L571-E577 HydrophobicContact CD1-CG 4.14Å; L571-E577 HydrophobicContact CG-CG 4.04Å; E577-R603 PolarHBondContact O-NH1 3.21Å; E577-R729 WeakPolarHBondContact OE1-CA 3.34Å; E577-L730 HydrophobicContact CB-CB 4.01Å; E577-L730 HydrophobicContact CB-CD1 4.17Å; E577-L730 HydrophobicContact CG-CB 4.16Å; E577-L730 PolarHBondContact OE1-N 2.72Å; E577-R731 CarbonylContact C-O 3.47Å; E577-R731 WeakPolarHBondContact CA-O 3.37Å
578	I	83.1	Confident	79.9	Confident	65 Å²	65	24.7 Å²	24.7	33%	0.333	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-52.6	148.7	171.8	58.8	165.7	0	0	0	111	K567 E580 L730 R731 D733	K567-I578 PolarHBondContact NZ-O 3.05Å; I578-E580 PolarHBondContact O-N 2.68Å; I578-L730 HydrophobicContact CG1-CB 4.14Å; I578-R731 HydrophobicContact CD1-CB 4.01Å; I578-R731 HydrophobicContact CG1-CB 4.14Å; I578-R731 WeakPolarHBondContact CG1-O 3.48Å; I578-R731 HydrophobicContact CG2-CB 4.29Å; I578-R731 PolarHBondContact N-O 3.46Å; I578-D733 HydrophobicContact CG2-CB 4.06Å
579	L	84.7	Confident	80.1	Confident	13 Å²	13	24.6 Å²	24.6	7%	0.068	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-73.3	125.2	171.8	-63.4	172.8	0	0	0	109.7	K567 E583 L584 R601 Y626	K567-L579 HydrophobicContact CD-CD2 3.82Å; L579-E583 VanDerWaalsContact CA-OE2 3.29Å; L579-E583 WeakPolarHBondContact CA-OE2 3.36Å; L579-E583 HydrophobicContact CD2-CB 4.22Å; L579-L584 HydrophobicContact CB-CD2 3.95Å; L579-L584 HydrophobicContact CB-CG 4.11Å; L579-L584 HydrophobicContact CD1-CD2 3.71Å; L579-L584 HydrophobicContact CG-CD2 4.46Å; L579-R601 VanDerWaalsContact CD1-CZ 3.46Å; L579-Y626 HydrophobicContact CD1-CE2 4.1Å
580	E	84	Confident	80.4	Confident	68 Å²	68	24.7 Å²	24.7	32%	0.318	12%	0.124	S	C	.	.	P	Polyproline II helix	trans	-71.8	156.6	169.5	-60.6	-165	88.1	0	0	110.2	I578 Q582 E583 L584 L730	I578-E580 PolarHBondContact O-N 2.68Å; E580-Q582 PolarHBondContact O-N 2.97Å; E580-Q582 VanDerWaalsContact O-N 3.12Å; E580-E583 HydrophobicContact CB-CG 4.4Å; E580-E583 PolarHBondContact N-OE2 3.4Å; E580-E583 PolarHBondContact O-N 2.95Å; E580-L584 PolarHBondContact O-N 3.01Å; E580-L584 VanDerWaalsContact O-N 3.12Å; E580-L730 VanDerWaalsContact CD-CD2 3.46Å; E580-L730 HydrophobicContact CG-CD1 3.58Å; E580-L730 HydrophobicContact CG-CD2 3.71Å; E580-L730 HydrophobicContact CG-CG 4.28Å
581	N	84.1	Confident	80.9	Confident	107 Å²	107	24.4 Å²	24.4	57%	0.572	12%	0.123	S	C	*	.	H	α-helix	trans	-53.9	-35.6	174.4	-70.8	1.4	0	0	0	111.5	E583 L584 E585	N581-E583 PolarHBondContact O-N 2.7Å; N581-L584 PolarHBondContact O-N 3.1Å; N581-E585 VanDerWaalsContact O-CB 3.31Å; N581-E585 WeakPolarHBondContact O-CB 3.5Å; N581-E585 WeakPolarHBondContact O-CG 3.35Å; N581-E585 PolarHBondContact O-N 3.32Å
582	Q	84.3	Confident	81.9	Confident	76 Å²	76	25.3 Å²	25.3	36%	0.355	13%	0.126	S	C	.	.	H	α-helix	trans	-60.3	-39.4	173.4	-72.2	-179.8	-19.8	0	0	113.7	L236 K238 E580 L584 E585 L586	L236-Q582 HydrophobicContact CD2-CG 4.4Å; K238-Q582 HydrophobicContact CD-CG 4.24Å; K238-Q582 VanDerWaalsContact NZ-CG 3.34Å; E580-Q582 PolarHBondContact O-N 2.97Å; E580-Q582 VanDerWaalsContact O-N 3.12Å; Q582-L584 VanDerWaalsContact C-N 3.33Å; Q582-E585 WeakPolarHBondContact CA-OE2 3.21Å; Q582-E585 PolarHBondContact N-OE2 2.79Å; Q582-E585 PolarHBondContact O-N 3.15Å; Q582-L586 WeakPolarHBondContact O-CB 3.31Å; Q582-L586 VanDerWaalsContact O-CG 3.23Å; Q582-L586 WeakPolarHBondContact O-CG 3.43Å; Q582-L586 PolarHBondContact O-N 3.38Å
583	E	88.1	Confident	83.2	Confident	19 Å²	19	25 Å²	25	9%	0.089	12%	0.124	C	C	.	.	H	α-helix	trans	-73	-30.2	179.8	-62.2	174.6	127.7	0	0	111	Q565 K567 L579 E580 N581 S587	Q565-E583 PolarHBondContact NE2-O 3.37Å; K567-E583 VanDerWaalsContact CD-OE1 3.26Å; K567-E583 WeakPolarHBondContact CD-OE1 3.33Å; K567-E583 WeakPolarHBondContact CE-OE1 3.42Å; K567-E583 VanDerWaalsContact NZ-CD 3.3Å; K567-E583 IonicContact NZ-OE1 2.72Å; K567-E583 PolarHBondContact NZ-OE1 3.26Å; K567-E583 VanDerWaalsContact NZ-OE1 3.12Å; K567-E583 IonicContact NZ-OE2 2.71Å; K567-E583 PolarHBondContact NZ-OE2 3.45Å; L579-E583 VanDerWaalsContact CA-OE2 3.29Å; L579-E583 WeakPolarHBondContact CA-OE2 3.36Å; L579-E583 HydrophobicContact CD2-CB 4.22Å; E580-E583 HydrophobicContact CB-CG 4.4Å; E580-E583 PolarHBondContact N-OE2 3.4Å; E580-E583 PolarHBondContact O-N 2.95Å; N581-E583 PolarHBondContact O-N 2.7Å; E583-S587 WeakPolarHBondContact O-CB 2.94Å; E583-S587 PolarHBondContact O-N 3.11Å; E583-S587 PolarHBondContact O-OG 3.36Å
584	L	89.8	Confident	84.4	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-74.5	-42.7	171.1	-61.3	177.4	0	0	0	112.3	L579 E580 N581 Q582 L586 S587 W588 M622 Y626 F629	L579-L584 HydrophobicContact CB-CD2 3.95Å; L579-L584 HydrophobicContact CB-CG 4.11Å; L579-L584 HydrophobicContact CD1-CD2 3.71Å; L579-L584 HydrophobicContact CG-CD2 4.46Å; E580-L584 PolarHBondContact O-N 3.01Å; E580-L584 VanDerWaalsContact O-N 3.12Å; N581-L584 PolarHBondContact O-N 3.1Å; Q582-L584 VanDerWaalsContact C-N 3.33Å; L584-L586 VanDerWaalsContact C-N 3.32Å; L584-L586 PolarHBondContact O-N 2.88Å; L584-S587 PolarHBondContact O-N 3.42Å; L584-W588 WeakPolarHBondContact O-CB 3.31Å; L584-W588 PolarHBondContact O-N 2.84Å; L584-M622 HydrophobicContact CD2-CG 4.44Å; L584-M622 HydrophobicContact CD2-SD 4.38Å; L584-Y626 HydrophobicContact CD1-CD1 3.95Å; L584-Y626 HydrophobicContact CD1-CD2 4.06Å; L584-Y626 HydrophobicContact CD1-CE1 4.49Å; L584-Y626 HydrophobicContact CD1-CG 3.73Å; L584-Y626 HydrophobicContact CD2-CD2 3.59Å; L584-Y626 HydrophobicContact CD2-CE2 3.66Å; L584-Y626 HydrophobicContact CD2-CG 4.15Å; L584-F629 HydrophobicContact CB-CD2 4.06Å; L584-F629 HydrophobicContact CB-CE2 4.14Å; L584-F629 HydrophobicContact CB-CG 4.29Å; L584-F629 HydrophobicContact CB-CZ 4.4Å; L584-F629 HydrophobicContact CD1-CB 4.44Å
585	E	90.1	Very high	85.3	Confident	18 Å²	18	25.8 Å²	25.8	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-55.1	-47.1	173.9	-74.1	163.7	154.2	0	0	110.4	F235 L236 K238 N581 Q582 L589 F629 N634	F235-E585 HydrophobicContact CE1-CB 4.21Å; L236-E585 HydrophobicContact CD2-CB 3.48Å; L236-E585 VanDerWaalsContact CD2-CB 3.48Å; L236-E585 HydrophobicContact CD2-CG 4.12Å; L236-E585 WeakPolarHBondContact CD2-OE2 3.35Å; K238-E585 IonicContact NZ-OE1 2.62Å; K238-E585 IonicContact NZ-OE2 3.4Å; K238-E585 PolarHBondContact NZ-OE2 3.33Å; N581-E585 VanDerWaalsContact O-CB 3.31Å; N581-E585 WeakPolarHBondContact O-CB 3.5Å; N581-E585 WeakPolarHBondContact O-CG 3.35Å; N581-E585 PolarHBondContact O-N 3.32Å; Q582-E585 WeakPolarHBondContact CA-OE2 3.21Å; Q582-E585 PolarHBondContact N-OE2 2.79Å; Q582-E585 PolarHBondContact O-N 3.15Å; E585-L589 WeakPolarHBondContact O-CB 3.07Å; E585-L589 PolarHBondContact O-N 3.33Å; E585-F629 HydrophobicContact CB-CE2 4.43Å; E585-F629 HydrophobicContact CG-CE2 3.79Å; E585-N634 VanDerWaalsContact CD-ND2 3.31Å; E585-N634 PolarHBondContact OE1-ND2 3.04Å
586	L	88.8	Confident	86.2	Confident	21 Å²	21	29.1 Å²	29.1	11%	0.11	15%	0.146	C	C	.	.	H	α-helix	trans	-70.9	-38.4	175.7	-68	170.4	0	0	0	113.2	N232 L236 Q582 L584 W588 G590	N232-L586 HydrophobicContact CB-CD2 3.68Å; N232-L586 VanDerWaalsContact OD1-CD2 3.32Å; N232-L586 WeakPolarHBondContact OD1-CD2 3.48Å; L236-L586 HydrophobicContact CD1-CD2 4.12Å; L236-L586 HydrophobicContact CD1-CG 4.33Å; Q582-L586 WeakPolarHBondContact O-CB 3.31Å; Q582-L586 VanDerWaalsContact O-CG 3.23Å; Q582-L586 WeakPolarHBondContact O-CG 3.43Å; Q582-L586 PolarHBondContact O-N 3.38Å; L584-L586 VanDerWaalsContact C-N 3.32Å; L584-L586 PolarHBondContact O-N 2.88Å; L586-W588 VanDerWaalsContact C-N 3.33Å; L586-W588 PolarHBondContact O-N 3.29Å; L586-G590 PolarHBondContact O-N 2.95Å
587	S	89.5	Confident	86.5	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-45.7	174.9	-62.8	0	0	0	0	111.4	Q565 E583 L584 S591 R601 M622	Q565-S587 PolarHBondContact NE2-OG 2.91Å; Q565-S587 PolarHBondContact OE1-OG 2.92Å; E583-S587 WeakPolarHBondContact O-CB 2.94Å; E583-S587 PolarHBondContact O-N 3.11Å; E583-S587 PolarHBondContact O-OG 3.36Å; L584-S587 PolarHBondContact O-N 3.42Å; S587-S591 WeakPolarHBondContact O-CB 3.16Å; S587-S591 PolarHBondContact O-N 2.86Å; S587-R601 PolarHBondContact OG-NH2 3.48Å; S587-M622 WeakPolarHBondContact CB-SD 3.35Å
588	W	92	Very high	86.3	Confident	25 Å²	25	30.7 Å²	30.7	10%	0.095	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-51.8	179.4	-178	84.9	0	0	0	111.1	F169 F235 L584 L586 S591 F592 M619 M622 F629 P631 V635	F169-W588 HydrophobicContact CB-CH2 4.32Å; F169-W588 HydrophobicContact CG-CH2 4.5Å; F235-W588 HydrophobicContact CE1-CE3 4.13Å; F235-W588 HydrophobicContact CE1-CZ3 4.34Å; F235-W588 HydrophobicContact CE2-CE3 4.46Å; F235-W588 AromaticContact CE2-CZ3 3.87Å; F235-W588 HydrophobicContact CE2-CZ3 3.87Å; F235-W588 AromaticContact CZ-CE3 3.67Å; F235-W588 HydrophobicContact CZ-CE3 3.67Å; F235-W588 AromaticContact CZ-CZ3 3.52Å; F235-W588 HydrophobicContact CZ-CZ3 3.52Å; L584-W588 WeakPolarHBondContact O-CB 3.31Å; L584-W588 PolarHBondContact O-N 2.84Å; L586-W588 VanDerWaalsContact C-N 3.33Å; L586-W588 PolarHBondContact O-N 3.29Å; W588-S591 PolarHBondContact O-N 3.47Å; W588-F592 HydrophobicContact CZ2-CD2 4.18Å; W588-F592 VanDerWaalsContact O-CB 3.29Å; W588-F592 WeakPolarHBondContact O-CB 3.13Å; W588-F592 PolarHBondContact O-N 2.94Å; W588-M619 HydrophobicContact CB-CE 4.45Å; W588-M619 VanDerWaalsContact CD1-SD 3.55Å; W588-M619 HydrophobicContact CD2-CE 4.41Å; W588-M619 HydrophobicContact CG-CE 3.86Å; W588-M619 HydrophobicContact CG-SD 4.32Å; W588-M619 VanDerWaalsContact O-CE 3.31Å; W588-M619 WeakPolarHBondContact O-CE 3.33Å; W588-M622 HydrophobicContact CB-CE 3.75Å; W588-M622 HydrophobicContact CG-CE 4.37Å; W588-F629 HydrophobicContact CB-CE1 3.68Å; W588-F629 HydrophobicContact CB-CZ 3.63Å; W588-F629 AromaticContact CD1-CE1 3.86Å; W588-F629 AromaticContact CG-CE1 3.83Å; W588-F629 HydrophobicContact CG-CE1 3.83Å; W588-F629 AromaticContact CG-CZ 3.95Å; W588-F629 HydrophobicContact CG-CZ 3.95Å; W588-P631 HydrophobicContact CD2-CB 3.65Å; W588-P631 HydrophobicContact CD2-CG 3.8Å; W588-P631 HydrophobicContact CE3-CB 3.72Å; W588-P631 HydrophobicContact CE3-CG 4.36Å; W588-P631 HydrophobicContact CG-CB 4.21Å; W588-P631 HydrophobicContact CG-CG 4.1Å; W588-P631 HydrophobicContact CH2-CB 4.21Å; W588-P631 HydrophobicContact CZ2-CB 4.13Å; W588-P631 HydrophobicContact CZ2-CG 3.99Å; W588-P631 HydrophobicContact CZ3-CB 4.02Å; W588-V635 HydrophobicContact CH2-CG2 4.1Å; W588-V635 HydrophobicContact CZ3-CG2 4.44Å
589	L	91.6	Very high	86.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-48.4	-178.2	-177.6	60.9	0	0	0	111.6	L231 N232 F235 E585 S591 F592 I593	L231-L589 HydrophobicContact CD2-CD1 3.92Å; L231-L589 HydrophobicContact CD2-CD2 4.42Å; L231-L589 HydrophobicContact CD2-CG 4.48Å; L231-L589 HydrophobicContact CG-CD1 4.24Å; L231-L589 HydrophobicContact CG-CD2 3.98Å; N232-L589 WeakPolarHBondContact OD1-CD2 3.43Å; F235-L589 HydrophobicContact CB-CD2 3.77Å; F235-L589 HydrophobicContact CD1-CB 4.34Å; F235-L589 HydrophobicContact CD1-CD2 3.7Å; F235-L589 HydrophobicContact CD1-CG 4.5Å; F235-L589 HydrophobicContact CE1-CB 4.34Å; F235-L589 HydrophobicContact CE1-CD2 4.47Å; F235-L589 HydrophobicContact CG-CD2 3.82Å; E585-L589 WeakPolarHBondContact O-CB 3.07Å; E585-L589 PolarHBondContact O-N 3.33Å; L589-S591 VanDerWaalsContact C-N 3.3Å; L589-S591 PolarHBondContact O-N 3.44Å; L589-F592 PolarHBondContact O-N 3.42Å; L589-F592 VanDerWaalsContact O-N 3.13Å; L589-I593 HydrophobicContact CD1-CG2 4.01Å; L589-I593 HydrophobicContact CG-CG2 4.49Å; L589-I593 WeakPolarHBondContact O-CG2 3.36Å; L589-I593 PolarHBondContact O-N 3.42Å
590	G	89.3	Confident	85.8	Confident	2 Å²	2	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-33.7	179	0	0	0	0	0	113.5	L586 R594	L586-G590 PolarHBondContact O-N 2.95Å; G590-R594 WeakPolarHBondContact O-CD 3.16Å; G590-R594 WeakPolarHBondContact O-CG 3.39Å; G590-R594 PolarHBondContact O-NH1 2.82Å
591	S	88.5	Confident	85.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-49.5	169.8	171.6	0	0	0	0	111.6	S587 W588 L589 R594 N596 S597	S587-S591 WeakPolarHBondContact O-CB 3.16Å; S587-S591 PolarHBondContact O-N 2.86Å; W588-S591 PolarHBondContact O-N 3.47Å; L589-S591 VanDerWaalsContact C-N 3.3Å; L589-S591 PolarHBondContact O-N 3.44Å; S591-R594 CarbonylContact O-C 3.55Å; S591-R594 PolarHBondContact O-N 3.4Å; S591-R594 VanDerWaalsContact O-N 3.17Å; S591-N596 WeakPolarHBondContact O-CA 3.36Å; S591-N596 PolarHBondContact O-N 2.91Å; S591-S597 WeakPolarHBondContact CA-OG 3.33Å; S591-S597 WeakPolarHBondContact CB-O 3.35Å; S591-S597 PolarHBondContact O-N 3.38Å; S591-S597 PolarHBondContact O-OG 3.45Å; S591-S597 PolarHBondContact OG-N 3.3Å; S591-S597 PolarHBondContact OG-O 3Å
592	F	89.2	Confident	85.3	Confident	20 Å²	20	18.8 Å²	18.8	9%	0.088	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-48.5	-174.7	-166.6	-79.7	0	0	0	112.1	F169 F171 L500 W588 L589 R594 N595 N596 M619	F169-F592 AromaticContact CD1-CD1 3.77Å; F169-F592 HydrophobicContact CD1-CD1 3.77Å; F169-F592 AromaticContact CD1-CE1 3.37Å; F169-F592 HydrophobicContact CD1-CE1 3.37Å; F169-F592 AromaticContact CD1-CZ 3.9Å; F169-F592 HydrophobicContact CD1-CZ 3.9Å; F169-F592 AromaticContact CE1-CD1 3.7Å; F169-F592 HydrophobicContact CE1-CD1 3.7Å; F169-F592 AromaticContact CE1-CE1 3.62Å; F169-F592 HydrophobicContact CE1-CE1 3.62Å; F169-F592 WeakPolarHBondContact O-CZ 3.45Å; F171-F592 HydrophobicContact CB-CE1 3.8Å; F171-F592 HydrophobicContact CB-CZ 3.95Å; F171-F592 HydrophobicContact CD2-CD1 4.36Å; F171-F592 HydrophobicContact CD2-CE1 4.2Å; F171-F592 VanDerWaalsContact CD2-O 3.25Å; F171-F592 WeakPolarHBondContact CD2-O 3.01Å; L500-F592 HydrophobicContact CD2-CD1 4.22Å; L500-F592 HydrophobicContact CD2-CE1 4.11Å; W588-F592 HydrophobicContact CZ2-CD2 4.18Å; W588-F592 VanDerWaalsContact O-CB 3.29Å; W588-F592 WeakPolarHBondContact O-CB 3.13Å; W588-F592 PolarHBondContact O-N 2.94Å; L589-F592 PolarHBondContact O-N 3.42Å; L589-F592 VanDerWaalsContact O-N 3.13Å; F592-R594 PolarHBondContact O-N 3.07Å; F592-R594 VanDerWaalsContact O-N 3.08Å; F592-N595 PolarHBondContact O-N 3Å; F592-N596 WeakPolarHBondContact CD2-OD1 3.38Å; F592-M619 HydrophobicContact CB-CE 4.15Å; F592-M619 HydrophobicContact CD2-CE 4.41Å
593	I	87.4	Confident	85.2	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	179.3	73.6	173.9	0	0	0	113	E228 L231 S498 L500 V509 F511 L589	E228-I593 HydrophobicContact CB-CD1 3.92Å; E228-I593 HydrophobicContact CG-CD1 3.81Å; E228-I593 WeakPolarHBondContact OE1-CD1 3.04Å; L231-I593 HydrophobicContact CD2-CG2 4.09Å; S498-I593 WeakPolarHBondContact CB-O 3.49Å; S498-I593 PolarHBondContact OG-O 3.11Å; L500-I593 HydrophobicContact CD1-CB 4.27Å; L500-I593 HydrophobicContact CD1-CG2 3.59Å; V509-I593 HydrophobicContact CG1-CD1 4.2Å; F511-I593 HydrophobicContact CB-CD1 4.46Å; F511-I593 HydrophobicContact CD1-CD1 4.08Å; F511-I593 HydrophobicContact CG-CD1 4.22Å; F511-I593 WeakPolarHBondContact CZ-O 3.43Å; L589-I593 HydrophobicContact CD1-CG2 4.01Å; L589-I593 HydrophobicContact CG-CG2 4.49Å; L589-I593 WeakPolarHBondContact O-CG2 3.36Å; L589-I593 PolarHBondContact O-N 3.42Å
594	R	83.8	Confident	84.9	Confident	12 Å²	12	14.3 Å²	14.3	5%	0.045	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	30.5	173.7	-70.2	175.2	-178.9	77.5	5.4	112.2	E228 F511 C512 P561 G590 S591 F592 S597	E228-R594 IonicContact OE1-CZ 3.63Å; E228-R594 IonicContact OE1-NH1 3.8Å; E228-R594 PolarHBondContact OE1-NH1 3.32Å; E228-R594 IonicContact OE1-NH2 2.7Å; E228-R594 PolarHBondContact OE1-NH2 3.44Å; E228-R594 IonicContact OE2-CZ 2.76Å; E228-R594 IonicContact OE2-NH1 2.68Å; E228-R594 IonicContact OE2-NH2 3.76Å; E228-R594 PolarHBondContact OE2-NH2 3.49Å; F511-R594 HydrophobicContact CD2-CG 4.31Å; F511-R594 HydrophobicContact CE2-CG 3.66Å; F511-R594 HydrophobicContact CZ-CG 4.22Å; C512-R594 PolarHBondContact O-NH2 2.71Å; C512-R594 VanDerWaalsContact O-NH2 3.15Å; P561-R594 HydrophobicContact CB-CB 4.46Å; P561-R594 WeakPolarHBondContact CG-O 3.46Å; G590-R594 WeakPolarHBondContact O-CD 3.16Å; G590-R594 WeakPolarHBondContact O-CG 3.39Å; G590-R594 PolarHBondContact O-NH1 2.82Å; S591-R594 CarbonylContact O-C 3.55Å; S591-R594 PolarHBondContact O-N 3.4Å; S591-R594 VanDerWaalsContact O-N 3.17Å; F592-R594 PolarHBondContact O-N 3.07Å; F592-R594 VanDerWaalsContact O-N 3.08Å; R594-S597 VanDerWaalsContact CB-OG 3.28Å; R594-S597 WeakPolarHBondContact CB-OG 3.3Å; R594-S597 WeakPolarHBondContact O-CB 3.37Å
595	N	81.4	Confident	84.4	Confident	86 Å²	86	15.6 Å²	15.6	46%	0.46	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	54.1	-179	-171.4	22.3	0	0	0	113.3	F171 F592 S597	F171-N595 HydrophobicContact CD1-CB 4.39Å; F171-N595 HydrophobicContact CE1-CB 3.91Å; F171-N595 HydrophobicContact CE2-CB 4.11Å; F171-N595 HydrophobicContact CZ-CB 3.79Å; F592-N595 PolarHBondContact O-N 3Å; N595-S597 VanDerWaalsContact C-N 3.3Å; N595-S597 PolarHBondContact O-N 2.93Å
596	N	83.6	Confident	84.1	Confident	73 Å²	73	14.7 Å²	14.7	39%	0.39	7%	0.074	S	C	.	.	S	Bend	trans	52.8	44.6	-177.8	-57.8	-73.4	0	0	0	113.1	S591 F592	S591-N596 WeakPolarHBondContact O-CA 3.36Å; S591-N596 PolarHBondContact O-N 2.91Å; F592-N596 WeakPolarHBondContact CD2-OD1 3.38Å
597	S	81.2	Confident	83.7	Confident	5 Å²	5	16 Å²	16	4%	0.035	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-62.3	150.4	179.4	60.9	0	0	0	0	112.9	P561 C563 S591 R594 N595	P561-S597 WeakPolarHBondContact O-CB 3.25Å; C563-S597 WeakPolarHBondContact CB-OG 3.27Å; C563-S597 PolarHBondContact N-OG 2.95Å; S591-S597 WeakPolarHBondContact CA-OG 3.33Å; S591-S597 WeakPolarHBondContact CB-O 3.35Å; S591-S597 PolarHBondContact O-N 3.38Å; S591-S597 PolarHBondContact O-OG 3.45Å; S591-S597 PolarHBondContact OG-N 3.3Å; S591-S597 PolarHBondContact OG-O 3Å; R594-S597 VanDerWaalsContact CB-OG 3.28Å; R594-S597 WeakPolarHBondContact CB-OG 3.3Å; R594-S597 WeakPolarHBondContact O-CB 3.37Å; N595-S597 VanDerWaalsContact C-N 3.3Å; N595-S597 PolarHBondContact O-N 2.93Å
598	D	78	Confident	83	Confident	30 Å²	30	18 Å²	18	16%	0.16	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144.4	171.3	-61.3	-52.2	0	0	0	110.3	I562 C563 Y616 S618	I562-D598 CarbonylContact C-O 3.52Å; I562-D598 WeakPolarHBondContact CA-O 3.4Å; C563-D598 PolarHBondContact N-O 3.12Å; D598-Y616 HydrophobicContact CB-CE1 3.91Å; D598-Y616 HydrophobicContact CB-CE2 4.28Å; D598-Y616 VanDerWaalsContact CB-OH 3.32Å; D598-Y616 WeakPolarHBondContact CB-OH 3.31Å; D598-Y616 PolarHBondContact OD2-OH 3.09Å; D598-S618 WeakPolarHBondContact OD1-CA 3.4Å; D598-S618 VanDerWaalsContact OD1-CB 3.24Å; D598-S618 WeakPolarHBondContact OD1-CB 3.43Å
599	I	79.5	Confident	82.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.7	-175	-59.1	151.3	0	0	0	109.1	C563 Q617 M622	C563-I599 WeakPolarHBondContact O-CA 3.49Å; I599-Q617 WeakPolarHBondContact CA-O 3.38Å; I599-Q617 WeakPolarHBondContact CB-O 3.4Å; I599-Q617 PolarHBondContact N-O 3.44Å; I599-Q617 PolarHBondContact O-N 2.89Å; I599-M622 HydrophobicContact CD1-CB 4.42Å; I599-M622 HydrophobicContact CD1-CE 4.22Å; I599-M622 HydrophobicContact CD1-SD 3.61Å
600	L	77	Confident	81.3	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	101.7	172.7	-173.8	78.9	0	0	0	108.7	V184 W537 I562 C563 V564 Q565 I614 E615 Y616	V184-L600 HydrophobicContact CG1-CD2 4.15Å; V184-L600 HydrophobicContact CG2-CD2 4.02Å; W537-L600 HydrophobicContact CH2-CD1 3.74Å; W537-L600 HydrophobicContact CH2-CD2 4.03Å; W537-L600 HydrophobicContact CZ2-CD1 4.24Å; W537-L600 HydrophobicContact CZ3-CD1 4.42Å; I562-L600 HydrophobicContact CG2-CB 3.49Å; I562-L600 VanDerWaalsContact CG2-CB 3.49Å; C563-L600 PolarHBondContact O-N 3.19Å; V564-L600 WeakPolarHBondContact CA-O 3.26Å; V564-L600 HydrophobicContact CG2-CB 4.28Å; V564-L600 HydrophobicContact CG2-CD2 4.06Å; Q565-L600 PolarHBondContact N-O 3.32Å; L600-I614 HydrophobicContact CD1-CG2 3.46Å; L600-I614 VanDerWaalsContact CD1-CG2 3.46Å; L600-I614 HydrophobicContact CG-CG2 3.97Å; L600-E615 WeakPolarHBondContact CA-O 3.49Å; L600-Y616 HydrophobicContact CD1-CD2 3.99Å
601	R	80.3	Confident	80.3	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.5	-177.2	-174.1	179.1	-63.6	106	7.2	110.3	Q565 K567 L579 S587 I614 E615	Q565-R601 CarbonylContact O-C 3.55Å; Q565-R601 WeakPolarHBondContact O-CA 3.48Å; K567-R601 HydrophobicContact CB-CG 4.48Å; L579-R601 VanDerWaalsContact CD1-CZ 3.46Å; S587-R601 PolarHBondContact OG-NH2 3.48Å; R601-I614 WeakPolarHBondContact O-CA 3.25Å; R601-E615 HydrophobicContact CB-CB 4.21Å; R601-E615 WeakPolarHBondContact CD-OE2 3.32Å; R601-E615 IonicContact CZ-OE2 3.79Å; R601-E615 PolarHBondContact N-O 3.07Å; R601-E615 IonicContact NE-OE2 3.32Å; R601-E615 IonicContact NH1-OE2 3.71Å; R601-E615 PolarHBondContact NH1-OE2 3.19Å; R601-E615 PolarHBondContact O-N 3.5Å
602	I	77.8	Confident	79.3	Confident	2 Å²	2	21 Å²	21	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.2	177.8	-56.1	176.4	0	0	0	108.1	V564 Q565 I566 K567 L604 I611 I614	V564-I602 HydrophobicContact CG1-CD1 3.88Å; V564-I602 HydrophobicContact CG1-CG1 4.36Å; Q565-I602 PolarHBondContact O-N 3.47Å; I566-I602 HydrophobicContact CD1-CB 3.89Å; I566-I602 HydrophobicContact CD1-CD1 4.28Å; I566-I602 HydrophobicContact CD1-CG2 4.28Å; K567-I602 PolarHBondContact N-O 3.34Å; I602-L604 HydrophobicContact CG2-CD2 4.45Å; I602-I611 HydrophobicContact CG2-CD1 3.65Å; I602-I611 HydrophobicContact CG2-CG1 3.76Å; I602-I611 HydrophobicContact CG2-CG2 4.11Å; I602-I614 HydrophobicContact CG1-CD1 4.44Å; I602-I614 HydrophobicContact CG1-CG1 4.39Å
603	R	81.7	Confident	78.3	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.8	173	-66.1	-179.2	-176.9	-105.8	12	109.4	K567 E569 E577 I612 L613 E615 I736	K567-R603 HydrophobicContact CB-CG 4.2Å; K567-R603 WeakPolarHBondContact O-CA 3.42Å; E569-R603 HydrophobicContact CG-CB 3.82Å; E569-R603 HydrophobicContact CG-CG 4.37Å; E569-R603 WeakPolarHBondContact OE1-CD 3.23Å; E569-R603 VanDerWaalsContact OE1-CG 3.29Å; E569-R603 WeakPolarHBondContact OE1-CG 3.46Å; E569-R603 IonicContact OE1-CZ 3.87Å; E569-R603 IonicContact OE1-NE 2.73Å; E569-R603 IonicContact OE1-NH1 3.92Å; E569-R603 PolarHBondContact OE1-NH1 3.43Å; E569-R603 IonicContact OE2-NH1 2.76Å; E577-R603 PolarHBondContact O-NH1 3.21Å; R603-I612 HydrophobicContact CB-CB 4.44Å; R603-I612 PolarHBondContact O-N 3.41Å; R603-L613 HydrophobicContact CB-CB 4.29Å; R603-L613 PolarHBondContact N-O 2.94Å; R603-L613 PolarHBondContact O-N 3.28Å; R603-E615 IonicContact CZ-OE1 3.43Å; R603-E615 IonicContact NE-OE1 2.81Å; R603-E615 PolarHBondContact NE-OE1 3.28Å; R603-E615 IonicContact NH2-OE1 3.69Å; R603-E615 PolarHBondContact NH2-OE1 2.86Å; R603-E615 IonicContact NH2-OE2 2.72Å; R603-I736 VanDerWaalsContact NH2-CD1 3.27Å
604	L	81.7	Confident	77.3	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.1	-175.8	58.6	76.2	0	0	0	113.6	Y284 I566 K567 E569 I602 K610 I611	Y284-L604 HydrophobicContact CD1-CD2 4.06Å; Y284-L604 HydrophobicContact CD2-CD1 3.5Å; Y284-L604 VanDerWaalsContact CD2-CD1 3.5Å; Y284-L604 HydrophobicContact CD2-CD2 4.2Å; Y284-L604 HydrophobicContact CE2-CD1 3.68Å; Y284-L604 HydrophobicContact CG-CD1 4.01Å; Y284-L604 HydrophobicContact CG-CD2 3.83Å; I566-L604 HydrophobicContact CD1-CD2 4.32Å; I566-L604 HydrophobicContact CG2-CD2 4.06Å; I566-L604 HydrophobicContact CG2-CG 4.23Å; K567-L604 PolarHBondContact O-N 3.12Å; E569-L604 PolarHBondContact N-O 3.29Å; I602-L604 HydrophobicContact CG2-CD2 4.45Å; L604-K610 WeakPolarHBondContact CA-O 3.21Å; L604-I611 HydrophobicContact CB-CG1 4.45Å
605	Y	80.2	Confident	76.6	Confident	31 Å²	31	21.6 Å²	21.6	12%	0.122	11%	0.113	C	C	.	.			trans	-75.6	122.1	171.6	-77.2	-72.2	0	0	0	110.9	G572 D573 N607 S608 G609 K610 I612	G572-Y605 WeakPolarHBondContact CA-OH 3.38Å; G572-Y605 PolarHBondContact O-OH 3.47Å; D573-Y605 PolarHBondContact N-OH 2.93Å; Y605-N607 VanDerWaalsContact C-N 3.25Å; Y605-N607 PolarHBondContact O-N 2.78Å; Y605-S608 WeakPolarHBondContact CB-OG 3.43Å; Y605-S608 PolarHBondContact O-N 2.96Å; Y605-G609 PolarHBondContact O-N 2.93Å; Y605-K610 HydrophobicContact CD2-CB 4.05Å; Y605-K610 HydrophobicContact CD2-CD 4.2Å; Y605-K610 HydrophobicContact CD2-CG 4.14Å; Y605-K610 HydrophobicContact CE2-CD 4.45Å; Y605-K610 PolarHBondContact N-O 2.74Å; Y605-I612 HydrophobicContact CD1-CD1 3.96Å; Y605-I612 HydrophobicContact CD2-CD1 3.62Å; Y605-I612 HydrophobicContact CD2-CG1 3.44Å; Y605-I612 VanDerWaalsContact CD2-CG1 3.44Å; Y605-I612 HydrophobicContact CE1-CD1 4.03Å; Y605-I612 HydrophobicContact CE2-CD1 3.71Å; Y605-I612 HydrophobicContact CE2-CG1 3.39Å; Y605-I612 HydrophobicContact CG-CD1 3.75Å; Y605-I612 HydrophobicContact CG-CG1 4.1Å
606	P	83.8	Confident	76	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.8	-177.2	-11.3	17.1	0	0	0	114	N123 A280 Y284 P568 E569 Y570	N123-P606 WeakPolarHBondContact O-CB 3.43Å; N123-P606 WeakPolarHBondContact O-CG 3.32Å; A280-P606 HydrophobicContact CB-CB 4.17Å; Y284-P606 PolarHBondContact OH-O 3.09Å; P568-P606 HydrophobicContact CB-CB 4.33Å; P568-P606 HydrophobicContact CB-CG 3.85Å; E569-P606 WeakPolarHBondContact O-CD 3.39Å; Y570-P606 HydrophobicContact CD1-CG 3.88Å; Y570-P606 HydrophobicContact CD2-CG 4.33Å; Y570-P606 HydrophobicContact CE1-CB 4.09Å; Y570-P606 HydrophobicContact CE1-CG 3.47Å; Y570-P606 VanDerWaalsContact CE1-CG 3.47Å; Y570-P606 HydrophobicContact CE2-CG 3.96Å; Y570-P606 HydrophobicContact CG-CG 4.3Å
607	N	80.2	Confident	75.6	Confident	49 Å²	49	14.7 Å²	14.7	26%	0.262	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.7	-177.7	66.6	1.3	0	0	0	115.1	N123 G124 P126 V192 Y605	N123-N607 PolarHBondContact O-N 3.47Å; N123-N607 PolarHBondContact OD1-ND2 2.88Å; G124-N607 WeakPolarHBondContact O-CA 3.36Å; G124-N607 WeakPolarHBondContact O-CB 3.39Å; G124-N607 PolarHBondContact O-N 3.39Å; P126-N607 VanDerWaalsContact CG-O 3.32Å; P126-N607 WeakPolarHBondContact CG-O 3.43Å; V192-N607 VanDerWaalsContact CG2-O 3.26Å; V192-N607 WeakPolarHBondContact CG2-O 3.26Å; Y605-N607 VanDerWaalsContact C-N 3.25Å; Y605-N607 PolarHBondContact O-N 2.78Å
608	S	75.3	Confident	75.5	Confident	41 Å²	41	15.5 Å²	15.5	29%	0.287	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-15.3	-165.9	50.8	0	0	0	0	114.2	V192 Y605 K610	V192-S608 VanDerWaalsContact CG2-CA 3.42Å; Y605-S608 WeakPolarHBondContact CB-OG 3.43Å; Y605-S608 PolarHBondContact O-N 2.96Å; S608-K610 PolarHBondContact O-N 3.45Å; S608-K610 VanDerWaalsContact O-N 3.16Å
609	G	75.2	Confident	75.7	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.			trans	70.5	-3.3	-171.2	0	0	0	0	0	113.8	F190 Y284 Y605 I611	F190-G609 WeakPolarHBondContact CB-O 3.31Å; Y284-G609 WeakPolarHBondContact OH-CA 3.46Å; Y284-G609 PolarHBondContact OH-N 3.34Å; Y605-G609 PolarHBondContact O-N 2.93Å; G609-I611 PolarHBondContact O-N 2.86Å; G609-I611 VanDerWaalsContact O-N 3.16Å
610	K	72.2	Confident	75.7	Confident	70 Å²	70	19.2 Å²	19.2	30%	0.304	10%	0.097	S	C	.	.			trans	-62.1	115.5	-177.2	177.4	176.8	-179.7	172.8	0	110	L604 Y605 S608 I763	L604-K610 WeakPolarHBondContact CA-O 3.21Å; Y605-K610 HydrophobicContact CD2-CB 4.05Å; Y605-K610 HydrophobicContact CD2-CD 4.2Å; Y605-K610 HydrophobicContact CD2-CG 4.14Å; Y605-K610 HydrophobicContact CE2-CD 4.45Å; Y605-K610 PolarHBondContact N-O 2.74Å; S608-K610 PolarHBondContact O-N 3.45Å; S608-K610 VanDerWaalsContact O-N 3.16Å; K610-I763 VanDerWaalsContact CE-CD1 3.5Å
611	I	69.1	Low	75.8	Confident	10 Å²	10	20.8 Å²	20.8	5%	0.051	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.9	177.3	-61.7	178.2	0	0	0	109.6	I187 F190 I602 L604 G609 I614	I187-I611 HydrophobicContact CB-CD1 4.42Å; I187-I611 HydrophobicContact CG1-CD1 4.14Å; I187-I611 HydrophobicContact CG2-CB 4.07Å; I187-I611 HydrophobicContact CG2-CD1 4.31Å; I187-I611 HydrophobicContact CG2-CG1 4.27Å; F190-I611 HydrophobicContact CD2-CD1 3.83Å; F190-I611 HydrophobicContact CD2-CG1 4.47Å; F190-I611 HydrophobicContact CE2-CD1 3.94Å; I602-I611 HydrophobicContact CG2-CD1 3.65Å; I602-I611 HydrophobicContact CG2-CG1 3.76Å; I602-I611 HydrophobicContact CG2-CG2 4.11Å; L604-I611 HydrophobicContact CB-CG1 4.45Å; G609-I611 PolarHBondContact O-N 2.86Å; G609-I611 VanDerWaalsContact O-N 3.16Å; I611-I614 HydrophobicContact CD1-CD1 4.41Å; I611-I614 HydrophobicContact CG2-CD1 4.23Å; I611-I614 HydrophobicContact CG2-CG1 3.73Å
612	I	67.5	Low	75.9	Confident	11 Å²	11	20.7 Å²	20.7	6%	0.056	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-46.3	-177	-67.6	164.4	0	0	0	109.9	E569 R603 Y605 L757	E569-I612 HydrophobicContact CB-CD1 3.43Å; E569-I612 VanDerWaalsContact CB-CD1 3.43Å; E569-I612 HydrophobicContact CG-CD1 3.68Å; R603-I612 HydrophobicContact CB-CB 4.44Å; R603-I612 PolarHBondContact O-N 3.41Å; Y605-I612 HydrophobicContact CD1-CD1 3.96Å; Y605-I612 HydrophobicContact CD2-CD1 3.62Å; Y605-I612 HydrophobicContact CD2-CG1 3.44Å; Y605-I612 VanDerWaalsContact CD2-CG1 3.44Å; Y605-I612 HydrophobicContact CE1-CD1 4.03Å; Y605-I612 HydrophobicContact CE2-CD1 3.71Å; Y605-I612 HydrophobicContact CE2-CG1 3.39Å; Y605-I612 HydrophobicContact CG-CD1 3.75Å; Y605-I612 HydrophobicContact CG-CG1 4.1Å; I612-L757 HydrophobicContact CG2-CD1 3.33Å
613	L	66.9	Low	76.1	Confident	19 Å²	19	24 Å²	24	10%	0.099	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.9	-177.8	176.3	62	0	0	0	109	V387 R603 E615 I736	V387-L613 HydrophobicContact CB-CD1 4.45Å; V387-L613 HydrophobicContact CG2-CD1 3.83Å; R603-L613 HydrophobicContact CB-CB 4.29Å; R603-L613 PolarHBondContact N-O 2.94Å; R603-L613 PolarHBondContact O-N 3.28Å; L613-E615 HydrophobicContact CD2-CG 3.86Å; L613-E615 HydrophobicContact CG-CG 4.05Å; L613-I736 HydrophobicContact CD2-CD1 4.12Å; L613-I736 HydrophobicContact CD2-CG2 3.93Å
614	I	66.6	Low	76.1	Confident	14 Å²	14	29.3 Å²	29.3	7%	0.072	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	164.2	-59.9	-174.6	0	0	0	107.7	L600 R601 I602 I611	L600-I614 HydrophobicContact CD1-CG2 3.46Å; L600-I614 VanDerWaalsContact CD1-CG2 3.46Å; L600-I614 HydrophobicContact CG-CG2 3.97Å; R601-I614 WeakPolarHBondContact O-CA 3.25Å; I602-I614 HydrophobicContact CG1-CD1 4.44Å; I602-I614 HydrophobicContact CG1-CG1 4.39Å; I611-I614 HydrophobicContact CD1-CD1 4.41Å; I611-I614 HydrophobicContact CG2-CD1 4.23Å; I611-I614 HydrophobicContact CG2-CG1 3.73Å
615	E	69.7	Low	76	Confident	11 Å²	11	31.8 Å²	31.8	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.4	173.1	-53.2	174.2	175.4	0	0	109.4	L600 R601 R603 L613 I736	L600-E615 WeakPolarHBondContact CA-O 3.49Å; R601-E615 HydrophobicContact CB-CB 4.21Å; R601-E615 WeakPolarHBondContact CD-OE2 3.32Å; R601-E615 IonicContact CZ-OE2 3.79Å; R601-E615 PolarHBondContact N-O 3.07Å; R601-E615 IonicContact NE-OE2 3.32Å; R601-E615 IonicContact NH1-OE2 3.71Å; R601-E615 PolarHBondContact NH1-OE2 3.19Å; R601-E615 PolarHBondContact O-N 3.5Å; R603-E615 IonicContact CZ-OE1 3.43Å; R603-E615 IonicContact NE-OE1 2.81Å; R603-E615 PolarHBondContact NE-OE1 3.28Å; R603-E615 IonicContact NH2-OE1 3.69Å; R603-E615 PolarHBondContact NH2-OE1 2.86Å; R603-E615 IonicContact NH2-OE2 2.72Å; L613-E615 HydrophobicContact CD2-CG 3.86Å; L613-E615 HydrophobicContact CG-CG 4.05Å; E615-I736 VanDerWaalsContact OE1-CD1 3.22Å; E615-I736 WeakPolarHBondContact OE1-CD1 3.36Å
616	Y	69.4	Low	76.1	Confident	13 Å²	13	32.6 Å²	32.6	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.4	166.3	-167.4	-82.9	0	0	0	108.1	W537 P538 S539 I562 D598 L600	W537-Y616 HydrophobicContact CZ2-CD2 4.46Å; W537-Y616 HydrophobicContact CZ2-CE2 4.35Å; P538-Y616 HydrophobicContact CG-CD1 3.48Å; P538-Y616 VanDerWaalsContact CG-CD1 3.48Å; P538-Y616 HydrophobicContact CG-CD2 4.36Å; P538-Y616 HydrophobicContact CG-CE1 3.9Å; P538-Y616 HydrophobicContact CG-CG 3.72Å; S539-Y616 VanDerWaalsContact CB-OH 3.26Å; S539-Y616 WeakPolarHBondContact CB-OH 3.36Å; I562-Y616 HydrophobicContact CD1-CE2 4.05Å; D598-Y616 HydrophobicContact CB-CE1 3.91Å; D598-Y616 HydrophobicContact CB-CE2 4.28Å; D598-Y616 VanDerWaalsContact CB-OH 3.32Å; D598-Y616 WeakPolarHBondContact CB-OH 3.31Å; D598-Y616 PolarHBondContact OD2-OH 3.09Å; L600-Y616 HydrophobicContact CD1-CD2 3.99Å
617	Q	74.1	Confident	75.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	123.4	-176.6	-166.6	173.1	33.2	0	0	110.3	I599 E621 M622 T625	I599-Q617 WeakPolarHBondContact CA-O 3.38Å; I599-Q617 WeakPolarHBondContact CB-O 3.4Å; I599-Q617 PolarHBondContact N-O 3.44Å; I599-Q617 PolarHBondContact O-N 2.89Å; Q617-E621 HydrophobicContact CG-CB 3.9Å; Q617-M622 HydrophobicContact CG-CB 4.13Å; Q617-T625 PolarHBondContact NE2-OG1 3.25Å; Q617-T625 VanDerWaalsContact NE2-OG1 3.11Å
618	S	79.1	Confident	75.9	Confident	22 Å²	22	42.2 Å²	42.2	15%	0.154	21%	0.214	C	C	.	.			trans	-71.6	159.9	170.8	65	0	0	0	0	111.5	D598 E620 E621 M622	D598-S618 WeakPolarHBondContact OD1-CA 3.4Å; D598-S618 VanDerWaalsContact OD1-CB 3.24Å; D598-S618 WeakPolarHBondContact OD1-CB 3.43Å; S618-E620 PolarHBondContact O-N 2.92Å; S618-E621 VanDerWaalsContact CB-OE2 3.32Å; S618-E621 WeakPolarHBondContact CB-OE2 3.4Å; S618-E621 PolarHBondContact N-OE2 2.99Å; S618-E621 PolarHBondContact O-N 3.22Å; S618-E621 WeakPolarHBondContact OG-CB 3.46Å; S618-E621 VanDerWaalsContact OG-CG 3.26Å; S618-E621 WeakPolarHBondContact OG-CG 3.38Å; S618-E621 PolarHBondContact OG-N 3.2Å; S618-E621 PolarHBondContact OG-OE2 3.49Å; S618-M622 PolarHBondContact O-N 3.45Å
619	M	81.6	Confident	76.3	Confident	17 Å²	17	41.3 Å²	41.3	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-36.8	173.9	-175.7	67.6	118	0	0	112.1	W588 F592 M622 L623	W588-M619 HydrophobicContact CB-CE 4.45Å; W588-M619 VanDerWaalsContact CD1-SD 3.55Å; W588-M619 HydrophobicContact CD2-CE 4.41Å; W588-M619 HydrophobicContact CG-CE 3.86Å; W588-M619 HydrophobicContact CG-SD 4.32Å; W588-M619 VanDerWaalsContact O-CE 3.31Å; W588-M619 WeakPolarHBondContact O-CE 3.33Å; F592-M619 HydrophobicContact CB-CE 4.15Å; F592-M619 HydrophobicContact CD2-CE 4.41Å; M619-M622 PolarHBondContact O-N 2.87Å; M619-M622 HydrophobicContact SD-CE 3.7Å; M619-L623 HydrophobicContact CG-CD1 4.3Å; M619-L623 WeakPolarHBondContact O-CG 3.33Å; M619-L623 PolarHBondContact O-N 3.4Å; M619-L623 VanDerWaalsContact O-N 3.16Å
620	E	81.1	Confident	76.4	Confident	91 Å²	91	48.2 Å²	48.2	43%	0.425	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-46.5	175.3	-168.7	-164.2	142.1	0	0	111	K393 S618 K624	K393-E620 WeakPolarHBondContact CE-OE1 3.4Å; K393-E620 IonicContact NZ-OE1 2.7Å; K393-E620 PolarHBondContact NZ-OE1 2.86Å; K393-E620 IonicContact NZ-OE2 3.96Å; K393-E620 PolarHBondContact NZ-OE2 3Å; S618-E620 PolarHBondContact O-N 2.92Å; E620-K624 HydrophobicContact CG-CD 4.26Å; E620-K624 WeakPolarHBondContact O-CB 3.48Å; E620-K624 VanDerWaalsContact O-CG 3.28Å; E620-K624 WeakPolarHBondContact O-CG 3.24Å; E620-K624 PolarHBondContact O-N 3.42Å; E620-K624 VanDerWaalsContact O-N 3.11Å; E620-K624 IonicContact OE1-NZ 2.61Å; E620-K624 PolarHBondContact OE1-NZ 2.67Å
621	E	77.6	Confident	76.9	Confident	32 Å²	32	45.6 Å²	45.6	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-36.2	179.3	-71.2	161	141	0	0	112.4	Q617 S618 K624 T625	Q617-E621 HydrophobicContact CG-CB 3.9Å; S618-E621 VanDerWaalsContact CB-OE2 3.32Å; S618-E621 WeakPolarHBondContact CB-OE2 3.4Å; S618-E621 PolarHBondContact N-OE2 2.99Å; S618-E621 PolarHBondContact O-N 3.22Å; S618-E621 WeakPolarHBondContact OG-CB 3.46Å; S618-E621 VanDerWaalsContact OG-CG 3.26Å; S618-E621 WeakPolarHBondContact OG-CG 3.38Å; S618-E621 PolarHBondContact OG-N 3.2Å; S618-E621 PolarHBondContact OG-OE2 3.49Å; E621-K624 PolarHBondContact O-N 2.88Å; E621-T625 WeakPolarHBondContact O-CB 3.33Å; E621-T625 PolarHBondContact O-N 3.15Å; E621-T625 PolarHBondContact O-OG1 3.49Å
622	M	82.2	Confident	77.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-48.1	177.2	-172.2	-173.7	69.6	0	0	111.6	L584 S587 W588 I599 Q617 S618 M619 K624 T625 Y626 F629	L584-M622 HydrophobicContact CD2-CG 4.44Å; L584-M622 HydrophobicContact CD2-SD 4.38Å; S587-M622 WeakPolarHBondContact CB-SD 3.35Å; W588-M622 HydrophobicContact CB-CE 3.75Å; W588-M622 HydrophobicContact CG-CE 4.37Å; I599-M622 HydrophobicContact CD1-CB 4.42Å; I599-M622 HydrophobicContact CD1-CE 4.22Å; I599-M622 HydrophobicContact CD1-SD 3.61Å; Q617-M622 HydrophobicContact CG-CB 4.13Å; S618-M622 PolarHBondContact O-N 3.45Å; M619-M622 PolarHBondContact O-N 2.87Å; M619-M622 HydrophobicContact SD-CE 3.7Å; M622-K624 VanDerWaalsContact C-N 3.28Å; M622-K624 PolarHBondContact O-N 2.92Å; M622-T625 PolarHBondContact O-N 3.09Å; M622-Y626 HydrophobicContact CG-CD2 4.14Å; M622-Y626 WeakPolarHBondContact O-CD2 3.28Å; M622-Y626 PolarHBondContact O-N 2.92Å; M622-F629 HydrophobicContact CE-CE1 4.14Å
623	L	83.7	Confident	78.1	Confident	71 Å²	71	51.7 Å²	51.7	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-33.5	177.4	-67	172.5	0	0	0	112.1	M619 Y626 F629	M619-L623 HydrophobicContact CG-CD1 4.3Å; M619-L623 WeakPolarHBondContact O-CG 3.33Å; M619-L623 PolarHBondContact O-N 3.4Å; M619-L623 VanDerWaalsContact O-N 3.16Å; L623-Y626 CarbonylContact O-C 3.55Å; L623-F629 HydrophobicContact CD2-CD1 4.04Å; L623-F629 HydrophobicContact CD2-CE1 4.22Å
624	K	81.3	Confident	78.9	Confident	111 Å²	111	51.3 Å²	51.3	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-72.2	-35	173.1	-75.8	174.4	171.3	-177	0	114	E620 E621 M622	E620-K624 HydrophobicContact CG-CD 4.26Å; E620-K624 WeakPolarHBondContact O-CB 3.48Å; E620-K624 VanDerWaalsContact O-CG 3.28Å; E620-K624 WeakPolarHBondContact O-CG 3.24Å; E620-K624 PolarHBondContact O-N 3.42Å; E620-K624 VanDerWaalsContact O-N 3.11Å; E620-K624 IonicContact OE1-NZ 2.61Å; E620-K624 PolarHBondContact OE1-NZ 2.67Å; E621-K624 PolarHBondContact O-N 2.88Å; M622-K624 VanDerWaalsContact C-N 3.28Å; M622-K624 PolarHBondContact O-N 2.92Å
625	T	78.3	Confident	80	Confident	53 Å²	53	50.7 Å²	50.7	33%	0.325	25%	0.25	S	S	.	.	H	α-helix	trans	-71.7	-35.4	178.5	-54.5	0	0	0	0	111.1	Q617 E621 M622 P627	Q617-T625 PolarHBondContact NE2-OG1 3.25Å; Q617-T625 VanDerWaalsContact NE2-OG1 3.11Å; E621-T625 WeakPolarHBondContact O-CB 3.33Å; E621-T625 PolarHBondContact O-N 3.15Å; E621-T625 PolarHBondContact O-OG1 3.49Å; M622-T625 PolarHBondContact O-N 3.09Å; T625-P627 VanDerWaalsContact C-CD 3.41Å; T625-P627 VanDerWaalsContact O-CD 3.26Å; T625-P627 WeakPolarHBondContact O-CD 3.28Å
626	Y	82.5	Confident	80.7	Confident	47 Å²	47	50.7 Å²	50.7	18%	0.184	25%	0.251	C	S	.	.			trans	-119.7	66	-175.7	-58.2	-70.8	0	0	0	111.6	R389 L579 L584 M622 L623 H628 F629	R389-Y626 PolarHBondContact NH1-OH 2.88Å; L579-Y626 HydrophobicContact CD1-CE2 4.1Å; L584-Y626 HydrophobicContact CD1-CD1 3.95Å; L584-Y626 HydrophobicContact CD1-CD2 4.06Å; L584-Y626 HydrophobicContact CD1-CE1 4.49Å; L584-Y626 HydrophobicContact CD1-CG 3.73Å; L584-Y626 HydrophobicContact CD2-CD2 3.59Å; L584-Y626 HydrophobicContact CD2-CE2 3.66Å; L584-Y626 HydrophobicContact CD2-CG 4.15Å; M622-Y626 HydrophobicContact CG-CD2 4.14Å; M622-Y626 WeakPolarHBondContact O-CD2 3.28Å; M622-Y626 PolarHBondContact O-N 2.92Å; L623-Y626 CarbonylContact O-C 3.55Å; Y626-H628 PolarHBondContact O-N 2.89Å; Y626-F629 VanDerWaalsContact O-CB 3.27Å; Y626-F629 WeakPolarHBondContact O-CB 3.5Å; Y626-F629 PolarHBondContact O-N 3.14Å
627	P	80.1	Confident	81.4	Confident	91 Å²	91	53.4 Å²	53.4	59%	0.591	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.9	-175.2	29.3	-37.4	0	0	0	114.4	T625	T625-P627 VanDerWaalsContact C-CD 3.41Å; T625-P627 VanDerWaalsContact O-CD 3.26Å; T625-P627 WeakPolarHBondContact O-CD 3.28Å
628	H	80.8	Confident	82.1	Confident	160 Å²	160	53.3 Å²	53.3	74%	0.741	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-11.8	172.5	-57.3	-44.2	0	0	0	113.4	Y626 K630	Y626-H628 PolarHBondContact O-N 2.89Å; H628-K630 PolarHBondContact O-N 3.45Å
629	F	82.5	Confident	82.5	Confident	22 Å²	22	52.4 Å²	52.4	10%	0.096	25%	0.254	C	S	.	.			trans	-76.4	119.5	-178.8	168.1	-120.5	0	0	0	110.9	L584 E585 W588 M622 L623 Y626 P631	L584-F629 HydrophobicContact CB-CD2 4.06Å; L584-F629 HydrophobicContact CB-CE2 4.14Å; L584-F629 HydrophobicContact CB-CG 4.29Å; L584-F629 HydrophobicContact CB-CZ 4.4Å; L584-F629 HydrophobicContact CD1-CB 4.44Å; E585-F629 HydrophobicContact CB-CE2 4.43Å; E585-F629 HydrophobicContact CG-CE2 3.79Å; W588-F629 HydrophobicContact CB-CE1 3.68Å; W588-F629 HydrophobicContact CB-CZ 3.63Å; W588-F629 AromaticContact CD1-CE1 3.86Å; W588-F629 AromaticContact CG-CE1 3.83Å; W588-F629 HydrophobicContact CG-CE1 3.83Å; W588-F629 AromaticContact CG-CZ 3.95Å; W588-F629 HydrophobicContact CG-CZ 3.95Å; M622-F629 HydrophobicContact CE-CE1 4.14Å; L623-F629 HydrophobicContact CD2-CD1 4.04Å; L623-F629 HydrophobicContact CD2-CE1 4.22Å; Y626-F629 VanDerWaalsContact O-CB 3.27Å; Y626-F629 WeakPolarHBondContact O-CB 3.5Å; Y626-F629 PolarHBondContact O-N 3.14Å; F629-P631 HydrophobicContact CE1-CB 4.3Å; F629-P631 HydrophobicContact CE1-CG 3.88Å; F629-P631 HydrophobicContact CE2-CB 4.21Å; F629-P631 HydrophobicContact CE2-CG 4.48Å; F629-P631 HydrophobicContact CZ-CB 3.73Å; F629-P631 HydrophobicContact CZ-CG 3.83Å
630	K	79	Confident	82.8	Confident	145 Å²	145	51.6 Å²	51.6	63%	0.63	25%	0.251	S	S	*	.			trans	-122.8	84.2	-176.4	-68	-176.7	179.4	-177.7	0	111.3	H628 Q632	H628-K630 PolarHBondContact O-N 3.45Å; K630-Q632 PolarHBondContact O-N 3.05Å; K630-Q632 VanDerWaalsContact O-N 3.14Å
631	P	81.7	Confident	83.1	Confident	15 Å²	15	47.3 Å²	47.3	10%	0.097	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	176	23.4	-31.1	0	0	0	113.1	F235 W588 F629 D633 N634 V635	F235-P631 HydrophobicContact CZ-CB 3.99Å; W588-P631 HydrophobicContact CD2-CB 3.65Å; W588-P631 HydrophobicContact CD2-CG 3.8Å; W588-P631 HydrophobicContact CE3-CB 3.72Å; W588-P631 HydrophobicContact CE3-CG 4.36Å; W588-P631 HydrophobicContact CG-CB 4.21Å; W588-P631 HydrophobicContact CG-CG 4.1Å; W588-P631 HydrophobicContact CH2-CB 4.21Å; W588-P631 HydrophobicContact CZ2-CB 4.13Å; W588-P631 HydrophobicContact CZ2-CG 3.99Å; W588-P631 HydrophobicContact CZ3-CB 4.02Å; F629-P631 HydrophobicContact CE1-CB 4.3Å; F629-P631 HydrophobicContact CE1-CG 3.88Å; F629-P631 HydrophobicContact CE2-CB 4.21Å; F629-P631 HydrophobicContact CE2-CG 4.48Å; F629-P631 HydrophobicContact CZ-CB 3.73Å; F629-P631 HydrophobicContact CZ-CG 3.83Å; P631-D633 VanDerWaalsContact C-N 3.26Å; P631-D633 PolarHBondContact O-N 3.06Å; P631-N634 WeakPolarHBondContact O-CB 3.2Å; P631-N634 PolarHBondContact O-N 3.37Å; P631-N634 VanDerWaalsContact O-N 3.11Å; P631-V635 WeakPolarHBondContact O-CG2 3.13Å; P631-V635 PolarHBondContact O-N 2.8Å; P631-V635 VanDerWaalsContact O-N 3.09Å
632	Q	82.1	Confident	83.8	Confident	73 Å²	73	45.9 Å²	45.9	34%	0.341	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-32	-178.3	-169.6	59.8	47.4	0	0	113.9	V167 K630 N634 V635 N636	V167-Q632 PolarHBondContact O-NE2 2.98Å; K630-Q632 PolarHBondContact O-N 3.05Å; K630-Q632 VanDerWaalsContact O-N 3.14Å; Q632-N634 VanDerWaalsContact C-N 3.28Å; Q632-N634 PolarHBondContact O-N 3.18Å; Q632-V635 WeakPolarHBondContact O-CB 3.39Å; Q632-V635 PolarHBondContact O-N 3.37Å; Q632-N636 PolarHBondContact NE2-OD1 3.38Å; Q632-N636 PolarHBondContact O-N 3.5Å; Q632-N636 PolarHBondContact O-OD1 3Å
633	D	80.2	Confident	84.1	Confident	77 Å²	77	48 Å²	48	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-37.2	178.6	-64.4	-30	0	0	0	111	P631 R637	P631-D633 VanDerWaalsContact C-N 3.26Å; P631-D633 PolarHBondContact O-N 3.06Å; D633-R637 WeakPolarHBondContact O-CG 2.89Å; D633-R637 PolarHBondContact O-N 3.06Å; D633-R637 VanDerWaalsContact O-N 3.13Å
634	N	84.6	Confident	84.4	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-72.5	-38.8	174.8	-68.8	-6.3	0	0	0	111.8	F235 E585 P631 Q632 N636 R637 L638	F235-N634 HydrophobicContact CD1-CB 4.41Å; F235-N634 HydrophobicContact CD2-CB 3.92Å; F235-N634 HydrophobicContact CE1-CB 4.13Å; F235-N634 HydrophobicContact CE2-CB 3.59Å; F235-N634 HydrophobicContact CG-CB 4.32Å; F235-N634 HydrophobicContact CZ-CB 3.71Å; F235-N634 VanDerWaalsContact O-CB 3.28Å; F235-N634 WeakPolarHBondContact O-CB 3.36Å; E585-N634 VanDerWaalsContact CD-ND2 3.31Å; E585-N634 PolarHBondContact OE1-ND2 3.04Å; P631-N634 WeakPolarHBondContact O-CB 3.2Å; P631-N634 PolarHBondContact O-N 3.37Å; P631-N634 VanDerWaalsContact O-N 3.11Å; Q632-N634 VanDerWaalsContact C-N 3.28Å; Q632-N634 PolarHBondContact O-N 3.18Å; N634-N636 PolarHBondContact O-N 2.79Å; N634-R637 PolarHBondContact O-N 3.44Å; N634-L638 WeakPolarHBondContact O-CB 3.48Å; N634-L638 PolarHBondContact O-N 3.24Å
635	V	87.9	Confident	85	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-57.1	-48	171.9	176.4	0	0	0	0	111.1	V167 F169 F235 L502 W588 P631 Q632 L638 S639	V167-V635 WeakPolarHBondContact O-CG1 3.37Å; F169-V635 HydrophobicContact CB-CG1 3.91Å; F169-V635 HydrophobicContact CB-CG2 3.96Å; F169-V635 HydrophobicContact CD2-CG1 4.36Å; F169-V635 HydrophobicContact CD2-CG2 4.29Å; F169-V635 HydrophobicContact CG-CG2 4.5Å; F235-V635 HydrophobicContact CE2-CG2 3.83Å; L502-V635 HydrophobicContact CD1-CG1 3.49Å; L502-V635 VanDerWaalsContact CD1-CG1 3.49Å; W588-V635 HydrophobicContact CH2-CG2 4.1Å; W588-V635 HydrophobicContact CZ3-CG2 4.44Å; P631-V635 WeakPolarHBondContact O-CG2 3.13Å; P631-V635 PolarHBondContact O-N 2.8Å; P631-V635 VanDerWaalsContact O-N 3.09Å; Q632-V635 WeakPolarHBondContact O-CB 3.39Å; Q632-V635 PolarHBondContact O-N 3.37Å; V635-L638 PolarHBondContact O-N 3.28Å; V635-S639 PolarHBondContact O-N 3.37Å
636	N	84.5	Confident	85.6	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-44.4	179.8	-68.8	-9.5	0	0	0	111.8	Q632 N634 S639 G640	Q632-N636 PolarHBondContact NE2-OD1 3.38Å; Q632-N636 PolarHBondContact O-N 3.5Å; Q632-N636 PolarHBondContact O-OD1 3Å; N634-N636 PolarHBondContact O-N 2.79Å; N636-S639 PolarHBondContact O-N 2.96Å; N636-G640 PolarHBondContact O-N 3.38Å
637	R	84.3	Confident	86	Confident	69 Å²	69	43.2 Å²	43.2	26%	0.26	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-41.3	176.8	-71.7	172.2	-171.9	-156	2.9	112.6	S160 T162 L237 D633 N634 G640 L641	S160-R637 VanDerWaalsContact OG-CA 3.25Å; S160-R637 WeakPolarHBondContact OG-CA 3.34Å; S160-R637 VanDerWaalsContact OG-CB 3.31Å; S160-R637 WeakPolarHBondContact OG-CB 3.23Å; S160-R637 PolarHBondContact OG-O 3.36Å; T162-R637 HydrophobicContact CG2-CG 3.73Å; L237-R637 VanDerWaalsContact CD1-C 3.5Å; L237-R637 HydrophobicContact CD1-CB 3.41Å; L237-R637 VanDerWaalsContact CD1-CB 3.41Å; D633-R637 WeakPolarHBondContact O-CG 2.89Å; D633-R637 PolarHBondContact O-N 3.06Å; D633-R637 VanDerWaalsContact O-N 3.13Å; N634-R637 PolarHBondContact O-N 3.44Å; R637-G640 PolarHBondContact O-N 3.34Å; R637-L641 WeakPolarHBondContact O-CB 3.46Å; R637-L641 PolarHBondContact O-N 2.92Å
638	L	89.2	Confident	86.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-40.6	176.5	171.6	58.6	0	0	0	111.3	F169 L231 L234 F235 L237 L502 L507 N634 V635 L642	F169-L638 HydrophobicContact CE2-CD2 4.42Å; L231-L638 HydrophobicContact CD1-CD2 3.79Å; L234-L638 HydrophobicContact CB-CD1 4.16Å; L234-L638 WeakPolarHBondContact O-CD1 3.16Å; F235-L638 HydrophobicContact CD2-CD2 4.35Å; L237-L638 HydrophobicContact CD1-CB 4.13Å; L502-L638 HydrophobicContact CD2-CD2 4.25Å; L502-L638 HydrophobicContact CD2-CG 3.87Å; L507-L638 HydrophobicContact CD2-CD2 4.43Å; N634-L638 WeakPolarHBondContact O-CB 3.48Å; N634-L638 PolarHBondContact O-N 3.24Å; V635-L638 PolarHBondContact O-N 3.28Å; L638-L642 HydrophobicContact CD1-CD1 3.68Å; L638-L642 HydrophobicContact CD1-CG 4Å; L638-L642 HydrophobicContact CG-CD1 4.03Å; L638-L642 WeakPolarHBondContact O-CB 3.33Å; L638-L642 WeakPolarHBondContact O-CG 3.38Å; L638-L642 PolarHBondContact O-N 3.25Å
639	S	88.5	Confident	87.1	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-50	172.7	-172.3	0	0	0	0	110.9	K505 V635 N636 L641 L642 D643	K505-S639 PolarHBondContact NZ-OG 3.24Å; V635-S639 PolarHBondContact O-N 3.37Å; N636-S639 PolarHBondContact O-N 2.96Å; S639-L641 VanDerWaalsContact C-N 3.26Å; S639-L641 PolarHBondContact O-N 2.78Å; S639-L642 CarbonylContact O-C 3.59Å; S639-L642 PolarHBondContact O-N 3.45Å; S639-D643 VanDerWaalsContact C-OD2 3.24Å; S639-D643 WeakPolarHBondContact O-CB 3.43Å; S639-D643 VanDerWaalsContact O-CG 3.24Å; S639-D643 PolarHBondContact O-N 2.92Å; S639-D643 PolarHBondContact OG-OD2 2.82Å
640	G	86.3	Confident	87.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-34.5	-178.8	0	0	0	0	0	113.9	V161 N636 R637 Q644	V161-G640 WeakPolarHBondContact O-CA 3.48Å; N636-G640 PolarHBondContact O-N 3.38Å; R637-G640 PolarHBondContact O-N 3.34Å; G640-Q644 VanDerWaalsContact O-CD 3.31Å; G640-Q644 VanDerWaalsContact O-CG 3.32Å; G640-Q644 WeakPolarHBondContact O-CG 3.42Å; G640-Q644 PolarHBondContact O-N 3.21Å; G640-Q644 PolarHBondContact O-OE1 3.02Å
641	L	89.1	Confident	88.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-51.8	170.1	175.6	62.1	0	0	0	111.1	T158 L234 L237 R637 S639 D643 Q644 L645 L655 F666	T158-L641 HydrophobicContact CG2-CD1 3.95Å; L234-L641 HydrophobicContact CD2-CD2 4.26Å; L237-L641 HydrophobicContact CD2-CD2 3.83Å; R637-L641 WeakPolarHBondContact O-CB 3.46Å; R637-L641 PolarHBondContact O-N 2.92Å; S639-L641 VanDerWaalsContact C-N 3.26Å; S639-L641 PolarHBondContact O-N 2.78Å; L641-D643 VanDerWaalsContact C-N 3.33Å; L641-D643 PolarHBondContact O-N 3.08Å; L641-Q644 WeakPolarHBondContact O-CB 3.24Å; L641-Q644 PolarHBondContact O-N 3.4Å; L641-L645 HydrophobicContact CD1-CD1 4.29Å; L641-L645 HydrophobicContact CD1-CD2 4.44Å; L641-L645 HydrophobicContact CD1-CG 4.22Å; L641-L645 HydrophobicContact CG-CD1 4.19Å; L641-L645 HydrophobicContact CG-CG 4.43Å; L641-L645 WeakPolarHBondContact O-CG 3.15Å; L641-L645 PolarHBondContact O-N 2.91Å; L641-L655 HydrophobicContact CD1-CD1 4.38Å; L641-L655 HydrophobicContact CD1-CD2 4.26Å; L641-L655 HydrophobicContact CD2-CD2 4.01Å; L641-F666 HydrophobicContact CD1-CD2 4.11Å; L641-F666 HydrophobicContact CD1-CG 4.47Å
642	L	91.6	Very high	88.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-36.4	-179.7	-72.5	168.5	0	0	0	112.7	V224 I263 F265 L502 K505 L507 L638 S639 Q644 L645 F646	V224-L642 HydrophobicContact CG1-CD2 4.13Å; V224-L642 HydrophobicContact CG2-CD1 4.28Å; V224-L642 HydrophobicContact CG2-CD2 4.04Å; I263-L642 HydrophobicContact CD1-CD2 4.28Å; F265-L642 HydrophobicContact CE2-CD2 3.92Å; F265-L642 HydrophobicContact CZ-CD2 4.08Å; L502-L642 HydrophobicContact CD2-CD1 3.72Å; K505-L642 HydrophobicContact CD-CB 3.86Å; K505-L642 HydrophobicContact CD-CD1 4.35Å; L507-L642 HydrophobicContact CD1-CD1 4.25Å; L638-L642 HydrophobicContact CD1-CD1 3.68Å; L638-L642 HydrophobicContact CD1-CG 4Å; L638-L642 HydrophobicContact CG-CD1 4.03Å; L638-L642 WeakPolarHBondContact O-CB 3.33Å; L638-L642 WeakPolarHBondContact O-CG 3.38Å; L638-L642 PolarHBondContact O-N 3.25Å; S639-L642 CarbonylContact O-C 3.59Å; S639-L642 PolarHBondContact O-N 3.45Å; L642-Q644 PolarHBondContact O-N 3.21Å; L642-L645 PolarHBondContact O-N 3.09Å; L642-F646 HydrophobicContact CB-CD2 4.41Å; L642-F646 HydrophobicContact CB-CE2 4.45Å; L642-F646 WeakPolarHBondContact O-CB 3.47Å; L642-F646 WeakPolarHBondContact O-CD2 3.46Å; L642-F646 PolarHBondContact O-N 3.07Å
643	D	89.1	Confident	89.5	Confident	45 Å²	45	34.1 Å²	34.1	24%	0.241	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-36.4	171.9	-76.4	-50.2	0	0	0	111.2	N163 K505 S639 L641 N647	N163-D643 PolarHBondContact ND2-OD2 3.12Å; N163-D643 VanDerWaalsContact ND2-OD2 3.08Å; K505-D643 WeakPolarHBondContact CE-OD1 3.42Å; K505-D643 VanDerWaalsContact NZ-CG 3.32Å; K505-D643 IonicContact NZ-OD1 3.16Å; K505-D643 PolarHBondContact NZ-OD1 3.08Å; K505-D643 IonicContact NZ-OD2 3.6Å; K505-D643 PolarHBondContact NZ-OD2 2.74Å; S639-D643 VanDerWaalsContact C-OD2 3.24Å; S639-D643 WeakPolarHBondContact O-CB 3.43Å; S639-D643 VanDerWaalsContact O-CG 3.24Å; S639-D643 PolarHBondContact O-N 2.92Å; S639-D643 PolarHBondContact OG-OD2 2.82Å; L641-D643 VanDerWaalsContact C-N 3.33Å; L641-D643 PolarHBondContact O-N 3.08Å; D643-N647 PolarHBondContact O-ND2 3.03Å; D643-N647 VanDerWaalsContact O-ND2 3.1Å
644	Q	88.8	Confident	90.1	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.187	16%	0.164	C	C	.	.	H	α-helix	trans	-82.7	-39.9	178.5	-67	164.6	-11.8	0	0	112.7	T158 K159 G640 L641 L642 F646 N647	T158-Q644 WeakPolarHBondContact OG1-CB 3.33Å; T158-Q644 PolarHBondContact OG1-OE1 3.38Å; K159-Q644 VanDerWaalsContact O-CD 3.27Å; K159-Q644 PolarHBondContact O-NE2 3.24Å; K159-Q644 PolarHBondContact O-OE1 3.49Å; G640-Q644 VanDerWaalsContact O-CD 3.31Å; G640-Q644 VanDerWaalsContact O-CG 3.32Å; G640-Q644 WeakPolarHBondContact O-CG 3.42Å; G640-Q644 PolarHBondContact O-N 3.21Å; G640-Q644 PolarHBondContact O-OE1 3.02Å; L641-Q644 WeakPolarHBondContact O-CB 3.24Å; L641-Q644 PolarHBondContact O-N 3.4Å; L642-Q644 PolarHBondContact O-N 3.21Å; Q644-F646 VanDerWaalsContact C-N 3.26Å; Q644-F646 PolarHBondContact O-N 3.22Å; Q644-N647 WeakPolarHBondContact O-CB 3.34Å; Q644-N647 PolarHBondContact O-N 3.15Å
645	L	93.1	Very high	90.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-32.5	174.5	-59.3	-176.6	0	0	0	111.7	F247 I263 F265 L641 L642 N647 L648 L655 I668	F247-L645 HydrophobicContact CE1-CD2 4.37Å; F247-L645 HydrophobicContact CE2-CD2 4.24Å; F247-L645 HydrophobicContact CZ-CD1 4.45Å; F247-L645 HydrophobicContact CZ-CD2 3.72Å; I263-L645 HydrophobicContact CD1-CB 3.67Å; F265-L645 HydrophobicContact CE1-CD1 4.17Å; F265-L645 HydrophobicContact CZ-CD1 3.75Å; L641-L645 HydrophobicContact CD1-CD1 4.29Å; L641-L645 HydrophobicContact CD1-CD2 4.44Å; L641-L645 HydrophobicContact CD1-CG 4.22Å; L641-L645 HydrophobicContact CG-CD1 4.19Å; L641-L645 HydrophobicContact CG-CG 4.43Å; L641-L645 WeakPolarHBondContact O-CG 3.15Å; L641-L645 PolarHBondContact O-N 2.91Å; L642-L645 PolarHBondContact O-N 3.09Å; L645-N647 PolarHBondContact O-N 2.9Å; L645-L648 HydrophobicContact CB-CD1 4.49Å; L645-L648 HydrophobicContact CD2-CD1 3.96Å; L645-L648 WeakPolarHBondContact O-CB 3.46Å; L645-L648 PolarHBondContact O-N 3.5Å; L645-L655 HydrophobicContact CD2-CD1 4.29Å; L645-I668 HydrophobicContact CD2-CD1 3.78Å; L645-I668 HydrophobicContact CD2-CG1 4.31Å
646	F	91.4	Very high	90.6	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.039	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.5	172	-80.7	-59	0	0	0	114.1	Y222 L223 V224 K261 I263 K505 L642 Q644	Y222-F646 HydrophobicContact CD1-CB 4.21Å; Y222-F646 AromaticContact CD1-CD1 3.65Å; Y222-F646 HydrophobicContact CD1-CD1 3.65Å; Y222-F646 HydrophobicContact CD1-CD2 4.14Å; Y222-F646 AromaticContact CD1-CE1 3.97Å; Y222-F646 HydrophobicContact CD1-CE1 3.97Å; Y222-F646 HydrophobicContact CD1-CE2 4.45Å; Y222-F646 AromaticContact CD1-CG 3.75Å; Y222-F646 HydrophobicContact CD1-CG 3.75Å; Y222-F646 HydrophobicContact CD1-CZ 4.36Å; Y222-F646 HydrophobicContact CE1-CB 4.33Å; Y222-F646 HydrophobicContact CE1-CD1 4.42Å; Y222-F646 HydrophobicContact CE1-CG 4.36Å; L223-F646 WeakPolarHBondContact O-CZ 3.46Å; V224-F646 HydrophobicContact CG2-CE2 3.73Å; V224-F646 HydrophobicContact CG2-CZ 3.57Å; K261-F646 HydrophobicContact CB-CD1 4.2Å; K261-F646 HydrophobicContact CB-CE1 4.4Å; K261-F646 HydrophobicContact CD-CD1 4.21Å; K261-F646 WeakPolarHBondContact CD-O 3.4Å; K261-F646 WeakPolarHBondContact CE-O 3.33Å; K261-F646 HydrophobicContact CG-CD1 3.98Å; K261-F646 HydrophobicContact CG-CE1 4.42Å; K261-F646 PolarHBondContact NZ-O 3.01Å; K261-F646 WeakPolarHBondContact O-CE1 3.5Å; I263-F646 HydrophobicContact CB-CE1 4.39Å; I263-F646 HydrophobicContact CD1-CD1 3.6Å; I263-F646 HydrophobicContact CD1-CD2 3.88Å; I263-F646 HydrophobicContact CD1-CE1 3.61Å; I263-F646 HydrophobicContact CD1-CE2 3.87Å; I263-F646 HydrophobicContact CD1-CG 3.73Å; I263-F646 HydrophobicContact CD1-CZ 3.75Å; I263-F646 HydrophobicContact CG1-CD1 3.84Å; I263-F646 HydrophobicContact CG1-CE1 3.6Å; I263-F646 HydrophobicContact CG1-CG 4.48Å; I263-F646 HydrophobicContact CG1-CZ 4.03Å; K505-F646 HydrophobicContact CB-CE2 4.4Å; K505-F646 HydrophobicContact CD-CD2 4.19Å; K505-F646 HydrophobicContact CD-CE2 3.92Å; K505-F646 HydrophobicContact CG-CD2 4.28Å; K505-F646 HydrophobicContact CG-CE2 3.8Å; L642-F646 HydrophobicContact CB-CD2 4.41Å; L642-F646 HydrophobicContact CB-CE2 4.45Å; L642-F646 WeakPolarHBondContact O-CB 3.47Å; L642-F646 WeakPolarHBondContact O-CD2 3.46Å; L642-F646 PolarHBondContact O-N 3.07Å; Q644-F646 VanDerWaalsContact C-N 3.26Å; Q644-F646 PolarHBondContact O-N 3.22Å
647	N	90.6	Very high	90.5	Very high	132 Å²	132	30.2 Å²	30.2	71%	0.706	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.1	171.7	-67.2	-35.5	0	0	0	113.6	D643 Q644 L645	D643-N647 PolarHBondContact O-ND2 3.03Å; D643-N647 VanDerWaalsContact O-ND2 3.1Å; Q644-N647 WeakPolarHBondContact O-CB 3.34Å; Q644-N647 PolarHBondContact O-N 3.15Å; L645-N647 PolarHBondContact O-N 2.9Å
648	L	93	Very high	89.7	Confident	29 Å²	29	30.8 Å²	30.8	15%	0.152	17%	0.174	C	C	.	.	S	Bend	trans	-65.3	150.6	179.4	-62.8	170.7	0	0	0	112.6	F247 V249 K261 L645 Y653 I668	F247-L648 HydrophobicContact CE2-CD1 3.67Å; F247-L648 HydrophobicContact CZ-CD1 3.64Å; V249-L648 HydrophobicContact CG2-CB 4.35Å; K261-L648 VanDerWaalsContact CE-O 3.23Å; K261-L648 WeakPolarHBondContact CE-O 3.43Å; K261-L648 PolarHBondContact NZ-O 3.14Å; L645-L648 HydrophobicContact CB-CD1 4.49Å; L645-L648 HydrophobicContact CD2-CD1 3.96Å; L645-L648 WeakPolarHBondContact O-CB 3.46Å; L645-L648 PolarHBondContact O-N 3.5Å; L648-Y653 HydrophobicContact CB-CE1 4.49Å; L648-Y653 HydrophobicContact CB-CE2 4.2Å; L648-Y653 HydrophobicContact CD1-CD1 4.25Å; L648-Y653 HydrophobicContact CD1-CD2 4.36Å; L648-Y653 HydrophobicContact CD1-CE1 4.25Å; L648-Y653 HydrophobicContact CD1-CE2 4.37Å; L648-Y653 HydrophobicContact CD1-CG 4.3Å; L648-Y653 HydrophobicContact CD2-CE1 4.27Å; L648-I668 HydrophobicContact CD1-CD1 4.34Å; L648-I668 HydrophobicContact CD1-CG2 4.16Å; L648-I668 HydrophobicContact CD2-CD1 4.33Å; L648-I668 HydrophobicContact CD2-CG2 4.35Å
649	E	92.1	Very high	88.5	Confident	146 Å²	146	38 Å²	38	68%	0.682	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-69.1	157.9	172.4	-65.2	-167.1	155.3	0	0	111.5	G651 Y653	E649-G651 PolarHBondContact O-N 3.12Å; E649-Y653 PolarHBondContact N-OH 2.91Å; E649-Y653 VanDerWaalsContact O-CE2 3.28Å; E649-Y653 WeakPolarHBondContact O-CE2 3.42Å; E649-Y653 PolarHBondContact O-OH 3.3Å
650	P	93.1	Very high	86.8	Confident	81 Å²	81	44.9 Å²	44.9	53%	0.526	24%	0.24	S	C	.	.	S	Bend	trans	-58.8	132.2	176.5	-22.6	34.2	0	0	0	112.4	V249 V251	V249-P650 CarbonylContact O-C 3.58Å; V249-P650 WeakPolarHBondContact O-CA 3.46Å; V251-P650 HydrophobicContact CB-CG 4.43Å; V251-P650 HydrophobicContact CG2-CG 3.93Å
651	G	92.9	Very high	85	Confident	27 Å²	27	47 Å²	47	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	179.5	-175.5	0	0	0	0	0	113.3	V249 E649 Y653	V249-G651 PolarHBondContact N-O 3.05Å; V249-G651 PolarHBondContact O-N 3.19Å; E649-G651 PolarHBondContact O-N 3.12Å; G651-Y653 VanDerWaalsContact O-CD2 3.26Å; G651-Y653 WeakPolarHBondContact O-CD2 3.36Å; G651-Y653 WeakPolarHBondContact O-CE2 3.45Å
652	S	93.9	Very high	83.3	Confident	28 Å²	28	52.1 Å²	52.1	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.2	178.6	-55.5	0	0	0	0	111.4	D248 F671	D248-S652 WeakPolarHBondContact OD1-CA 3.43Å; D248-S652 WeakPolarHBondContact OD1-CB 3.4Å; D248-S652 PolarHBondContact OD1-OG 2.82Å; S652-F671 WeakPolarHBondContact O-CB 3.27Å; S652-F671 PolarHBondContact O-N 3.47Å
653	Y	95.3	Very high	81.7	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	169.3	-172.2	-62.7	-89	0	0	0	112.4	P246 F247 V249 L648 E649 G651 I668 Y669 Q670	P246-Y653 WeakPolarHBondContact CA-O 3.37Å; F247-Y653 HydrophobicContact CD2-CD2 4.42Å; F247-Y653 VanDerWaalsContact CE1-CB 3.46Å; F247-Y653 AromaticContact CE2-CD2 3.87Å; F247-Y653 HydrophobicContact CE2-CD2 3.87Å; F247-Y653 AromaticContact CE2-CG 3.95Å; F247-Y653 HydrophobicContact CE2-CG 3.95Å; F247-Y653 HydrophobicContact CZ-CD2 4.26Å; F247-Y653 AromaticContact CZ-CG 3.85Å; F247-Y653 HydrophobicContact CZ-CG 3.85Å; F247-Y653 PolarHBondContact N-O 3.02Å; F247-Y653 PolarHBondContact O-N 3.33Å; V249-Y653 HydrophobicContact CB-CD2 4.49Å; V249-Y653 HydrophobicContact CB-CE2 4.14Å; V249-Y653 HydrophobicContact CG2-CD2 3.84Å; V249-Y653 HydrophobicContact CG2-CE2 3.8Å; L648-Y653 HydrophobicContact CB-CE1 4.49Å; L648-Y653 HydrophobicContact CB-CE2 4.2Å; L648-Y653 HydrophobicContact CD1-CD1 4.25Å; L648-Y653 HydrophobicContact CD1-CD2 4.36Å; L648-Y653 HydrophobicContact CD1-CE1 4.25Å; L648-Y653 HydrophobicContact CD1-CE2 4.37Å; L648-Y653 HydrophobicContact CD1-CG 4.3Å; L648-Y653 HydrophobicContact CD2-CE1 4.27Å; E649-Y653 PolarHBondContact N-OH 2.91Å; E649-Y653 VanDerWaalsContact O-CE2 3.28Å; E649-Y653 WeakPolarHBondContact O-CE2 3.42Å; E649-Y653 PolarHBondContact O-OH 3.3Å; G651-Y653 VanDerWaalsContact O-CD2 3.26Å; G651-Y653 WeakPolarHBondContact O-CD2 3.36Å; G651-Y653 WeakPolarHBondContact O-CE2 3.45Å; Y653-I668 HydrophobicContact CD1-CG2 3.82Å; Y653-Y669 CarbonylContact C-O 3.56Å; Y653-Y669 WeakPolarHBondContact CA-O 3.48Å; Y653-Y669 WeakPolarHBondContact CB-O 3.46Å; Y653-Q670 HydrophobicContact CD1-CB 3.76Å; Y653-Q670 HydrophobicContact CD1-CG 3.96Å; Y653-Q670 HydrophobicContact CE1-CB 3.73Å; Y653-Q670 HydrophobicContact CE1-CG 3.56Å
654	L	93	Very high	80.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	118.9	178.6	-164.6	71.6	0	0	0	108.9	Y152 Y244 P246 Y669 I684 L686	Y152-L654 HydrophobicContact CD1-CB 3.85Å; Y152-L654 HydrophobicContact CD2-CD2 4.32Å; Y152-L654 HydrophobicContact CE1-CB 4.03Å; Y152-L654 HydrophobicContact CG-CB 4.2Å; Y152-L654 HydrophobicContact CG-CD2 4.42Å; Y244-L654 HydrophobicContact CD1-CD2 3.72Å; Y244-L654 HydrophobicContact CD1-CG 4.16Å; Y244-L654 HydrophobicContact CG-CD2 4.19Å; Y244-L654 HydrophobicContact CG-CG 4.46Å; P246-L654 HydrophobicContact CB-CD1 4.09Å; P246-L654 HydrophobicContact CG-CD1 3.71Å; L654-Y669 PolarHBondContact N-O 2.89Å; L654-Y669 PolarHBondContact O-N 3Å; L654-I684 HydrophobicContact CD2-CD1 4Å; L654-I684 HydrophobicContact CD2-CG2 3.92Å; L654-L686 HydrophobicContact CD1-CD2 4.27Å; L654-L686 HydrophobicContact CD2-CD2 3.88Å
655	L	92.2	Very high	80.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.9	175.6	-169.6	71.9	0	0	0	110.2	L234 L240 Y244 V245 F247 L641 L645 F666 I668	L234-L655 HydrophobicContact CD2-CD2 3.91Å; L240-L655 HydrophobicContact CD1-CD2 4.24Å; Y244-L655 CarbonylContact C-O 3.58Å; Y244-L655 WeakPolarHBondContact CA-O 3.01Å; V245-L655 HydrophobicContact CB-CB 4.37Å; V245-L655 PolarHBondContact N-O 3.27Å; V245-L655 PolarHBondContact O-N 3.45Å; F247-L655 HydrophobicContact CD1-CB 4.28Å; F247-L655 HydrophobicContact CE1-CB 3.92Å; L641-L655 HydrophobicContact CD1-CD1 4.38Å; L641-L655 HydrophobicContact CD1-CD2 4.26Å; L641-L655 HydrophobicContact CD2-CD2 4.01Å; L645-L655 HydrophobicContact CD2-CD1 4.29Å; L655-F666 HydrophobicContact CD1-CB 3.65Å; L655-F666 HydrophobicContact CD1-CG 4.42Å; L655-F666 HydrophobicContact CG-CB 4.28Å; L655-I668 HydrophobicContact CD1-CG1 3.89Å
656	T	90.1	Very high	79.8	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-168	176.4	-167.9	0	0	0	0	111.1	L240 V243 Y244 F666 D667 Y669	L240-T656 PolarHBondContact O-OG1 2.88Å; V243-T656 WeakPolarHBondContact O-CB 3.31Å; V243-T656 PolarHBondContact O-OG1 3.28Å; Y244-T656 VanDerWaalsContact CD1-CB 3.45Å; Y244-T656 HydrophobicContact CD1-CG2 3.82Å; Y244-T656 WeakPolarHBondContact CD1-OG1 3.48Å; Y244-T656 HydrophobicContact CE1-CG2 3.84Å; Y244-T656 WeakPolarHBondContact CE1-OG1 3.39Å; T656-F666 CarbonylContact O-C 3.6Å; T656-F666 VanDerWaalsContact O-CA 3.31Å; T656-F666 WeakPolarHBondContact O-CA 3.39Å; T656-D667 HydrophobicContact CG2-CB 4.19Å; T656-D667 PolarHBondContact N-O 2.99Å; T656-D667 PolarHBondContact O-N 3.03Å; T656-Y669 HydrophobicContact CG2-CD2 4.07Å; T656-Y669 HydrophobicContact CG2-CE2 3.68Å
657	Q	82.4	Confident	79.7	Confident	15 Å²	15	56.1 Å²	56.1	7%	0.07	32%	0.319	C	S	.	.			trans	-143.4	122.7	168.7	-178.2	173.2	0.6	0	0	109.9	A239 L240 V241 K659 S665	A239-Q657 VanDerWaalsContact CA-OE1 3.25Å; L240-Q657 HydrophobicContact CB-CB 4.24Å; L240-Q657 PolarHBondContact O-N 2.92Å; V241-Q657 WeakPolarHBondContact CA-O 3.28Å; V241-Q657 HydrophobicContact CG2-CB 4.08Å; V241-Q657 HydrophobicContact CG2-CG 3.89Å; V241-Q657 WeakPolarHBondContact CG2-O 3.31Å; Q657-K659 WeakPolarHBondContact CG-O 3.35Å; Q657-K659 PolarHBondContact NE2-O 2.89Å; Q657-S665 WeakPolarHBondContact CG-O 3.39Å
658	T	68.3	Low	79.7	Confident	80 Å²	80	50.2 Å²	50.2	49%	0.491	29%	0.287	S	S	.	.	S	Bend	trans	-81.9	-16.8	-175	52.3	0	0	0	0	114.5	D667 Y669	T658-D667 VanDerWaalsContact CB-OD2 3.27Å; T658-D667 WeakPolarHBondContact CB-OD2 3.19Å; T658-D667 HydrophobicContact CG2-CB 4.41Å; T658-D667 VanDerWaalsContact CG2-OD2 3.25Å; T658-D667 WeakPolarHBondContact CG2-OD2 3.28Å; T658-D667 PolarHBondContact N-OD2 3.42Å; T658-D667 PolarHBondContact OG1-OD2 2.91Å; T658-Y669 VanDerWaalsContact CG2-OH 3.32Å; T658-Y669 WeakPolarHBondContact CG2-OH 3.43Å
659	K	63.3	Low	79.7	Confident	152 Å²	152	49.4 Å²	49.4	66%	0.661	28%	0.282	S	S	*	.	S	Bend	trans	-139.1	137.4	-176.6	-67.5	-174.9	179.2	179.1	0	113.2	Q657 A661	Q657-K659 WeakPolarHBondContact CG-O 3.35Å; Q657-K659 PolarHBondContact NE2-O 2.89Å; K659-A661 HydrophobicContact CB-CB 4.28Å; K659-A661 PolarHBondContact O-N 3.18Å
660	I	54.3	Low	79.8	Confident	148 Å²	148	45.6 Å²	45.6	76%	0.759	26%	0.264	S	S	*	.			trans	-74.3	75.4	168.4	-49	172.7	0	0	0	108.4	V241	V241-I660 HydrophobicContact CB-CG1 4.15Å; V241-I660 HydrophobicContact CG1-CD1 4.45Å; V241-I660 HydrophobicContact CG1-CG1 3.89Å; V241-I660 HydrophobicContact CG2-CG1 3.88Å
661	A	47.2	Very low	79.7	Confident	44 Å²	44	45.9 Å²	45.9	36%	0.364	26%	0.257	S	S	.	.			trans	-143.1	120.5	-176.8	0	0	0	0	0	111.8	K659 D663	K659-A661 HydrophobicContact CB-CB 4.28Å; K659-A661 PolarHBondContact O-N 3.18Å; A661-D663 PolarHBondContact O-N 2.82Å
662	S	53.5	Low	79.4	Confident	110 Å²	110	45.8 Å²	45.8	77%	0.769	25%	0.251	S	S	*	.	S	Bend	trans	24.6	-31.7	152.4	47.9	0	0	0	0	123.9
663	D	57.5	Low	78.7	Confident	74 Å²	74	47.4 Å²	47.4	40%	0.396	26%	0.263	S	S	.	.	S	Bend	trans	-100.6	2.1	-146.8	-86.8	51.8	0	0	0	115.7	K159 A661 S665	K159-D663 WeakPolarHBondContact CE-OD2 3.29Å; K159-D663 IonicContact NZ-OD2 3.74Å; K159-D663 PolarHBondContact NZ-OD2 2.99Å; A661-D663 PolarHBondContact O-N 2.82Å; D663-S665 PolarHBondContact O-N 3.25Å; D663-S665 VanDerWaalsContact O-N 3.12Å
664	N	68.4	Low	77.3	Confident	60 Å²	60	52.7 Å²	52.7	32%	0.321	29%	0.291	S	S	.	.			trans	48.7	31.2	-169	-61.2	-27.2	0	0	0	112.9	K159 S160 F666	K159-N664 WeakPolarHBondContact CA-O 3.31Å; S160-N664 PolarHBondContact N-O 3.12Å; N664-F666 WeakPolarHBondContact O-CD2 3.43Å; N664-F666 VanDerWaalsContact O-CE2 3.31Å; N664-F666 WeakPolarHBondContact O-CE2 3.32Å
665	S	77.4	Confident	75.8	Confident	29 Å²	29	62 Å²	62	20%	0.203	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.3	-178.3	54.7	0	0	0	0	111.6	T158 Q657 D663	T158-S665 WeakPolarHBondContact O-CA 3.47Å; Q657-S665 WeakPolarHBondContact CG-O 3.39Å; D663-S665 PolarHBondContact O-N 3.25Å; D663-S665 VanDerWaalsContact O-N 3.12Å
666	F	86.1	Confident	74.4	Confident	3 Å²	3	64.8 Å²	64.8	1%	0.013	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	175	-56	-87.6	0	0	0	109.5	T157 T158 L237 L240 L641 L655 T656 N664	T157-F666 CarbonylContact C-O 3.5Å; T157-F666 WeakPolarHBondContact CA-O 3.28Å; T158-F666 HydrophobicContact CG2-CB 4.26Å; T158-F666 PolarHBondContact N-O 3.16Å; T158-F666 PolarHBondContact O-N 3.43Å; L237-F666 HydrophobicContact CD2-CE1 4.26Å; L237-F666 HydrophobicContact CD2-CE2 4.47Å; L237-F666 HydrophobicContact CD2-CZ 3.76Å; L240-F666 HydrophobicContact CD1-CD1 3.84Å; L240-F666 HydrophobicContact CD1-CE1 3.82Å; L240-F666 HydrophobicContact CG-CD1 4.27Å; L240-F666 HydrophobicContact CG-CE1 3.96Å; L641-F666 HydrophobicContact CD1-CD2 4.11Å; L641-F666 HydrophobicContact CD1-CG 4.47Å; L655-F666 HydrophobicContact CD1-CB 3.65Å; L655-F666 HydrophobicContact CD1-CG 4.42Å; L655-F666 HydrophobicContact CG-CB 4.28Å; T656-F666 CarbonylContact O-C 3.6Å; T656-F666 VanDerWaalsContact O-CA 3.31Å; T656-F666 WeakPolarHBondContact O-CA 3.39Å; N664-F666 WeakPolarHBondContact O-CD2 3.43Å; N664-F666 VanDerWaalsContact O-CE2 3.31Å; N664-F666 WeakPolarHBondContact O-CE2 3.32Å
667	D	88.4	Confident	73	Confident	13 Å²	13	67 Å²	67	7%	0.07	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.4	177.8	-60	-57.4	0	0	0	109	L154 T157 T656 T658 Y669	L154-D667 HydrophobicContact CD1-CB 4.02Å; T157-D667 WeakPolarHBondContact CG2-OD1 3.43Å; T656-D667 HydrophobicContact CG2-CB 4.19Å; T656-D667 PolarHBondContact N-O 2.99Å; T656-D667 PolarHBondContact O-N 3.03Å; T658-D667 VanDerWaalsContact CB-OD2 3.27Å; T658-D667 WeakPolarHBondContact CB-OD2 3.19Å; T658-D667 HydrophobicContact CG2-CB 4.41Å; T658-D667 VanDerWaalsContact CG2-OD2 3.25Å; T658-D667 WeakPolarHBondContact CG2-OD2 3.28Å; T658-D667 PolarHBondContact N-OD2 3.42Å; T658-D667 PolarHBondContact OG1-OD2 2.91Å; D667-Y669 HydrophobicContact CB-CD2 4.34Å; D667-Y669 HydrophobicContact CB-CE2 3.73Å
668	I	92.1	Very high	72.1	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.4	179.3	-60.4	169.6	0	0	0	107.9	S155 G156 T158 F247 L645 L648 Y653 L655	S155-I668 PolarHBondContact N-O 3.35Å; G156-I668 PolarHBondContact N-O 3Å; G156-I668 VanDerWaalsContact N-O 3.13Å; G156-I668 PolarHBondContact O-N 2.04Å; T158-I668 HydrophobicContact CG2-CD1 3.71Å; T158-I668 HydrophobicContact CG2-CG1 4.25Å; F247-I668 HydrophobicContact CZ-CG2 4.47Å; L645-I668 HydrophobicContact CD2-CD1 3.78Å; L645-I668 HydrophobicContact CD2-CG1 4.31Å; L648-I668 HydrophobicContact CD1-CD1 4.34Å; L648-I668 HydrophobicContact CD1-CG2 4.16Å; L648-I668 HydrophobicContact CD2-CD1 4.33Å; L648-I668 HydrophobicContact CD2-CG2 4.35Å; Y653-I668 HydrophobicContact CD1-CG2 3.82Å; L655-I668 HydrophobicContact CD1-CG1 3.89Å
669	Y	92.7	Very high	71.9	Confident	13 Å²	13	76.8 Å²	76.8	5%	0.051	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.3	170.6	-60	-115.5	0	0	0	109.3	K153 L154 Y653 L654 T656 T658 D667 I684	K153-Y669 CarbonylContact O-C 3.54Å; K153-Y669 VanDerWaalsContact O-CA 3.24Å; K153-Y669 WeakPolarHBondContact O-CA 3.2Å; L154-Y669 HydrophobicContact CB-CD1 3.98Å; L154-Y669 HydrophobicContact CB-CE1 3.86Å; L154-Y669 HydrophobicContact CD1-CD1 4.47Å; L154-Y669 HydrophobicContact CD1-CD2 4.07Å; L154-Y669 HydrophobicContact CD1-CE1 4.26Å; L154-Y669 HydrophobicContact CD1-CE2 3.82Å; L154-Y669 HydrophobicContact CD1-CG 4.37Å; L154-Y669 VanDerWaalsContact N-CD1 3.26Å; Y653-Y669 CarbonylContact C-O 3.56Å; Y653-Y669 WeakPolarHBondContact CA-O 3.48Å; Y653-Y669 WeakPolarHBondContact CB-O 3.46Å; L654-Y669 PolarHBondContact N-O 2.89Å; L654-Y669 PolarHBondContact O-N 3Å; T656-Y669 HydrophobicContact CG2-CD2 4.07Å; T656-Y669 HydrophobicContact CG2-CE2 3.68Å; T658-Y669 VanDerWaalsContact CG2-OH 3.32Å; T658-Y669 WeakPolarHBondContact CG2-OH 3.43Å; D667-Y669 HydrophobicContact CB-CD2 4.34Å; D667-Y669 HydrophobicContact CB-CE2 3.73Å; Y669-I684 HydrophobicContact CD1-CB 4.41Å; Y669-I684 HydrophobicContact CD1-CD1 3.64Å; Y669-I684 HydrophobicContact CD1-CG1 3.9Å; Y669-I684 HydrophobicContact CD2-CD1 3.76Å; Y669-I684 HydrophobicContact CE1-CD1 3.51Å; Y669-I684 HydrophobicContact CE1-CG1 3.66Å; Y669-I684 HydrophobicContact CE2-CD1 3.63Å; Y669-I684 HydrophobicContact CG-CD1 3.79Å
670	Q	93.2	Very high	71.7	Confident	65 Å²	65	73.1 Å²	73.1	30%	0.304	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144	179.5	-176.6	173	8.6	0	0	109.3	Y152 K153 S155 Y653 V672	Y152-Q670 CarbonylContact C-O 3.48Å; Y152-Q670 VanDerWaalsContact CA-O 3.22Å; Y152-Q670 WeakPolarHBondContact CA-O 3.38Å; K153-Q670 PolarHBondContact N-O 3.02Å; K153-Q670 PolarHBondContact O-N 3.19Å; S155-Q670 PolarHBondContact OG-OE1 2.98Å; Y653-Q670 HydrophobicContact CD1-CB 3.76Å; Y653-Q670 HydrophobicContact CD1-CG 3.96Å; Y653-Q670 HydrophobicContact CE1-CB 3.73Å; Y653-Q670 HydrophobicContact CE1-CG 3.56Å; Q670-V672 PolarHBondContact O-N 3.4Å
671	F	91.7	Very high	72.1	Confident	87 Å²	87	72.5 Å²	72.5	38%	0.382	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.2	176.1	160.6	-122.2	0	0	0	110.8	P149 F151 Y152 S652	P149-F671 HydrophobicContact CB-CB 4.38Å; P149-F671 HydrophobicContact CB-CD2 3.24Å; P149-F671 HydrophobicContact CB-CE2 3.6Å; P149-F671 HydrophobicContact CB-CG 3.83Å; P149-F671 HydrophobicContact CB-CZ 4.41Å; P149-F671 HydrophobicContact CG-CB 4.45Å; P149-F671 HydrophobicContact CG-CD2 3.97Å; P149-F671 HydrophobicContact CG-CE2 4.42Å; P149-F671 HydrophobicContact CG-CG 4.06Å; F151-F671 WeakPolarHBondContact O-CD2 3.46Å; Y152-F671 HydrophobicContact CD1-CB 4.25Å; Y152-F671 HydrophobicContact CE1-CB 4.14Å; S652-F671 WeakPolarHBondContact O-CB 3.27Å; S652-F671 PolarHBondContact O-N 3.47Å
672	V	87	Confident	73.6	Confident	26 Å²	26	75.4 Å²	75.4	16%	0.158	40%	0.4	C	S	.	.			trans	-127.1	141.6	172.3	-68.1	0	0	0	0	110.4	F151 K153 Q670	F151-V672 HydrophobicContact CB-CG2 4.16Å; F151-V672 PolarHBondContact O-N 2.91Å; K153-V672 HydrophobicContact CB-CB 4.48Å; K153-V672 HydrophobicContact CB-CG1 3.57Å; K153-V672 HydrophobicContact CB-CG2 4.07Å; Q670-V672 PolarHBondContact O-N 3.4Å
673	S	77.9	Confident	75	Confident	62 Å²	62	71 Å²	71	43%	0.434	37%	0.368	S	S	.	.			trans	-74.2	148.2	176.5	60.6	0	0	0	0	111.4	Q675 S676	S673-Q675 PolarHBondContact O-N 3.33Å; S673-S676 PolarHBondContact O-N 3.45Å; S673-S676 PolarHBondContact O-OG 3.13Å
674	D	67.2	Low	76.5	Confident	114 Å²	114	68.2 Å²	68.2	61%	0.61	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-47.3	-30.9	-173.5	-57.2	31.8	0	0	0	114	F151 S676 F677	F151-D674 HydrophobicContact CD2-CB 4.49Å; F151-D674 HydrophobicContact CE2-CB 4.32Å; D674-S676 PolarHBondContact O-N 2.97Å; D674-S676 VanDerWaalsContact O-N 3.11Å; D674-F677 PolarHBondContact O-N 2.92Å
675	Q	61.6	Low	77.5	Confident	197 Å²	197	66.4 Å²	66.4	92%	0.921	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.8	-9.5	178.5	-61.1	-178.3	4.9	0	0	114.3	S673	S673-Q675 PolarHBondContact O-N 3.33Å
676	S	61.2	Low	78.1	Confident	57 Å²	57	65 Å²	65	40%	0.399	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-121.7	4.1	-176.7	62.8	0	0	0	0	114.5	S673 D674 D678	S673-S676 PolarHBondContact O-N 3.45Å; S673-S676 PolarHBondContact O-OG 3.13Å; D674-S676 PolarHBondContact O-N 2.97Å; D674-S676 VanDerWaalsContact O-N 3.11Å; S676-D678 PolarHBondContact O-N 3.38Å
677	F	62.6	Low	78.2	Confident	50 Å²	50	68.1 Å²	68.1	22%	0.219	35%	0.35	C	S	.	.			trans	-82	76.1	-178.7	-165.3	-94.9	0	0	0	112.2	F151 D674 Q683 N685	F151-F677 HydrophobicContact CB-CD2 3.79Å; F151-F677 HydrophobicContact CB-CE2 4.26Å; F151-F677 HydrophobicContact CB-CG 4.46Å; F151-F677 HydrophobicContact CD1-CB 4.32Å; F151-F677 AromaticContact CD1-CD1 3.96Å; F151-F677 HydrophobicContact CD1-CD1 3.96Å; F151-F677 AromaticContact CD1-CD2 3.45Å; F151-F677 HydrophobicContact CD1-CD2 3.45Å; F151-F677 VanDerWaalsContact CD1-CD2 3.45Å; F151-F677 HydrophobicContact CD1-CE1 4.12Å; F151-F677 AromaticContact CD1-CE2 3.6Å; F151-F677 HydrophobicContact CD1-CE2 3.6Å; F151-F677 AromaticContact CD1-CG 3.63Å; F151-F677 HydrophobicContact CD1-CG 3.63Å; F151-F677 AromaticContact CD1-CZ 3.95Å; F151-F677 HydrophobicContact CD1-CZ 3.95Å; F151-F677 HydrophobicContact CE1-CD1 4.01Å; F151-F677 HydrophobicContact CE1-CD2 4.31Å; F151-F677 HydrophobicContact CE1-CE1 4.18Å; F151-F677 HydrophobicContact CE1-CE2 4.44Å; F151-F677 HydrophobicContact CE1-CG 4.09Å; F151-F677 HydrophobicContact CE1-CZ 4.39Å; F151-F677 HydrophobicContact CG-CB 4.48Å; F151-F677 AromaticContact CG-CD2 3.91Å; F151-F677 HydrophobicContact CG-CD2 3.91Å; F151-F677 HydrophobicContact CG-CE2 4.36Å; F151-F677 HydrophobicContact CG-CG 4.18Å; D674-F677 PolarHBondContact O-N 2.92Å; F677-Q683 HydrophobicContact CD2-CB 4.02Å; F677-Q683 VanDerWaalsContact CD2-OE1 3.3Å; F677-Q683 HydrophobicContact CE2-CB 3.45Å; F677-Q683 VanDerWaalsContact CE2-CB 3.45Å; F677-Q683 HydrophobicContact CZ-CB 4.04Å; F677-N685 HydrophobicContact CZ-CB 4.07Å
678	D	63.6	Low	78.2	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	37%	0.374	S	S	*	.			trans	-74.5	154.4	162.1	-149.8	-22.5	0	0	0	110.9	S676 D680 Q683	S676-D678 PolarHBondContact O-N 3.38Å; D678-D680 PolarHBondContact O-N 3.27Å; D678-Q683 PolarHBondContact O-NE2 3.4Å
679	K	62.1	Low	78.1	Confident	189 Å²	189	73.4 Å²	73.4	82%	0.822	38%	0.375	S	S	*	.			trans	-81.7	46	-173	-69.2	-174.7	177.5	178.2	0	113.3
680	D	61.1	Low	77.9	Confident	74 Å²	74	73.6 Å²	73.6	40%	0.396	38%	0.377	S	S	.	.			trans	-71.4	152.2	174.1	-53.9	-55.5	0	0	0	111.8	K153 D678 H682 Q683	K153-D680 IonicContact NZ-OD2 2.76Å; K153-D680 PolarHBondContact NZ-OD2 3.03Å; D678-D680 PolarHBondContact O-N 3.27Å; D680-H682 PolarHBondContact O-N 2.75Å; D680-Q683 HydrophobicContact CB-CG 4.05Å; D680-Q683 PolarHBondContact O-N 2.98Å; D680-Q683 PolarHBondContact OD2-NE2 3.23Å
681	V	61.9	Low	77.7	Confident	135 Å²	135	73.9 Å²	73.9	82%	0.818	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-11.3	172.5	-175.5	0	0	0	0	113.1
682	H	77.7	Confident	77.6	Confident	105 Å²	105	73.4 Å²	73.4	49%	0.486	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	17.7	-176.5	-58	-60.7	0	0	0	113.9	L154 D680	L154-H682 HydrophobicContact CB-CB 4.03Å; L154-H682 HydrophobicContact CD2-CB 4.48Å; L154-H682 PolarHBondContact N-O 3.5Å; D680-H682 PolarHBondContact O-N 2.75Å
683	Q	84.5	Confident	77.8	Confident	19 Å²	19	72.3 Å²	72.3	9%	0.089	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.2	177.3	-37.8	-154.4	24.8	0	0	111.8	Y152 K153 F677 D678 D680	Y152-Q683 CarbonylContact O-C 3.6Å; Y152-Q683 WeakPolarHBondContact O-CA 3.41Å; K153-Q683 HydrophobicContact CD-CG 4.47Å; K153-Q683 HydrophobicContact CG-CG 4.22Å; K153-Q683 VanDerWaalsContact NZ-NE2 3.13Å; F677-Q683 HydrophobicContact CD2-CB 4.02Å; F677-Q683 VanDerWaalsContact CD2-OE1 3.3Å; F677-Q683 HydrophobicContact CE2-CB 3.45Å; F677-Q683 VanDerWaalsContact CE2-CB 3.45Å; F677-Q683 HydrophobicContact CZ-CB 4.04Å; D678-Q683 PolarHBondContact O-NE2 3.4Å; D680-Q683 HydrophobicContact CB-CG 4.05Å; D680-Q683 PolarHBondContact O-N 2.98Å; D680-Q683 PolarHBondContact OD2-NE2 3.23Å
684	I	87.2	Confident	78.5	Confident	14 Å²	14	72 Å²	72	7%	0.072	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.9	-178.5	-73.3	173.6	0	0	0	109.4	F151 Y152 Y244 L654 Y669 L686 I689	F151-I684 WeakPolarHBondContact CA-O 3.44Å; Y152-I684 PolarHBondContact N-O 3.36Å; Y152-I684 PolarHBondContact O-N 3.47Å; Y244-I684 HydrophobicContact CD1-CD1 4.15Å; Y244-I684 HydrophobicContact CE1-CD1 3.65Å; L654-I684 HydrophobicContact CD2-CD1 4Å; L654-I684 HydrophobicContact CD2-CG2 3.92Å; Y669-I684 HydrophobicContact CD1-CB 4.41Å; Y669-I684 HydrophobicContact CD1-CD1 3.64Å; Y669-I684 HydrophobicContact CD1-CG1 3.9Å; Y669-I684 HydrophobicContact CD2-CD1 3.76Å; Y669-I684 HydrophobicContact CE1-CD1 3.51Å; Y669-I684 HydrophobicContact CE1-CG1 3.66Å; Y669-I684 HydrophobicContact CE2-CD1 3.63Å; Y669-I684 HydrophobicContact CG-CD1 3.79Å; I684-L686 HydrophobicContact CG2-CD2 4.21Å; I684-I689 HydrophobicContact CG2-CD1 3.5Å; I684-I689 VanDerWaalsContact CG2-CD1 3.5Å
685	N	89.3	Confident	79.6	Confident	23 Å²	23	69 Å²	69	12%	0.123	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.9	167	177.9	-11.6	0	0	0	109.1	S150 F151 F677 N687 Q688 I689	S150-N685 CarbonylContact O-C 3.46Å; S150-N685 VanDerWaalsContact O-CA 3.31Å; S150-N685 WeakPolarHBondContact O-CA 3.4Å; F151-N685 HydrophobicContact CD1-CB 4.11Å; F151-N685 HydrophobicContact CE1-CB 4.18Å; F151-N685 WeakPolarHBondContact CE1-ND2 3.31Å; F677-N685 HydrophobicContact CZ-CB 4.07Å; N685-N687 PolarHBondContact O-N 2.94Å; N685-N687 VanDerWaalsContact OD1-CB 3.3Å; N685-N687 WeakPolarHBondContact OD1-CB 3.42Å; N685-N687 PolarHBondContact OD1-N 2.91Å; N685-N687 PolarHBondContact OD1-ND2 3.23Å; N685-Q688 HydrophobicContact CB-CB 4.37Å; N685-Q688 HydrophobicContact CB-CG 4.02Å; N685-Q688 WeakPolarHBondContact O-CB 3.4Å; N685-Q688 PolarHBondContact O-N 3.33Å; N685-I689 PolarHBondContact O-N 3.15Å
686	L	90.6	Very high	80.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-29.5	-177.4	-65	-171.5	0	0	0	112.9	I145 L148 P149 S150 Y152 I269 L654 I684 Q688 I689 S690	I145-L686 HydrophobicContact CG1-CB 4.31Å; I145-L686 HydrophobicContact CG1-CD1 4.47Å; I145-L686 HydrophobicContact CG2-CB 3.66Å; I145-L686 HydrophobicContact CG2-CD1 4.43Å; L148-L686 HydrophobicContact CB-CD1 3.82Å; L148-L686 HydrophobicContact CD1-CD1 3.73Å; L148-L686 HydrophobicContact CG-CD1 4.45Å; P149-L686 WeakPolarHBondContact O-CD1 3.42Å; S150-L686 PolarHBondContact O-N 2.85Å; Y152-L686 HydrophobicContact CD2-CD2 4.49Å; Y152-L686 HydrophobicContact CD2-CG 4.3Å; Y152-L686 HydrophobicContact CE2-CD1 3.79Å; Y152-L686 HydrophobicContact CE2-CD2 4.27Å; Y152-L686 HydrophobicContact CE2-CG 3.87Å; I269-L686 HydrophobicContact CD1-CD1 4.13Å; I269-L686 HydrophobicContact CD1-CD2 4.18Å; L654-L686 HydrophobicContact CD1-CD2 4.27Å; L654-L686 HydrophobicContact CD2-CD2 3.88Å; I684-L686 HydrophobicContact CG2-CD2 4.21Å; L686-Q688 VanDerWaalsContact C-N 3.29Å; L686-Q688 PolarHBondContact O-N 2.94Å; L686-I689 HydrophobicContact CD2-CD1 3.97Å; L686-I689 PolarHBondContact O-N 3.22Å; L686-S690 PolarHBondContact O-N 2.81Å
687	N	88.5	Confident	82.2	Confident	67 Å²	67	57.4 Å²	57.4	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-32.1	177.1	-54.8	-80	0	0	0	111.9	S150 N685 S691	S150-N687 WeakPolarHBondContact CB-ND2 3.2Å; S150-N687 PolarHBondContact OG-ND2 3.29Å; N685-N687 PolarHBondContact O-N 2.94Å; N685-N687 VanDerWaalsContact OD1-CB 3.3Å; N685-N687 WeakPolarHBondContact OD1-CB 3.42Å; N685-N687 PolarHBondContact OD1-N 2.91Å; N685-N687 PolarHBondContact OD1-ND2 3.23Å; N687-S691 WeakPolarHBondContact O-CB 3.2Å; N687-S691 PolarHBondContact O-N 3.49Å
688	Q	89.1	Confident	83.5	Confident	122 Å²	122	60.8 Å²	60.8	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-69.8	-38.6	173.7	-68.2	176.9	-20.9	0	0	111.1	N685 L686 S691 H692	N685-Q688 HydrophobicContact CB-CB 4.37Å; N685-Q688 HydrophobicContact CB-CG 4.02Å; N685-Q688 WeakPolarHBondContact O-CB 3.4Å; N685-Q688 PolarHBondContact O-N 3.33Å; L686-Q688 VanDerWaalsContact C-N 3.29Å; L686-Q688 PolarHBondContact O-N 2.94Å; Q688-S691 PolarHBondContact O-N 3.26Å; Q688-H692 WeakPolarHBondContact O-CB 3.42Å; Q688-H692 PolarHBondContact O-N 3.24Å
689	I	88.5	Confident	84.5	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-44.8	173.8	-65.4	158.3	0	0	0	110.6	Y244 I269 T271 I684 N685 L686 S691 H692 F693	Y244-I689 HydrophobicContact CD1-CD1 4.33Å; Y244-I689 HydrophobicContact CD2-CD1 3.73Å; Y244-I689 HydrophobicContact CD2-CG1 4.39Å; Y244-I689 HydrophobicContact CD2-CG2 3.99Å; Y244-I689 HydrophobicContact CE1-CD1 4.04Å; Y244-I689 HydrophobicContact CE2-CB 4.37Å; Y244-I689 HydrophobicContact CE2-CD1 3.33Å; Y244-I689 HydrophobicContact CE2-CG1 3.68Å; Y244-I689 HydrophobicContact CE2-CG2 3.74Å; Y244-I689 HydrophobicContact CG-CD1 4.21Å; I269-I689 HydrophobicContact CG2-CG2 3.69Å; T271-I689 HydrophobicContact CG2-CG2 4.46Å; I684-I689 HydrophobicContact CG2-CD1 3.5Å; I684-I689 VanDerWaalsContact CG2-CD1 3.5Å; N685-I689 PolarHBondContact O-N 3.15Å; L686-I689 HydrophobicContact CD2-CD1 3.97Å; L686-I689 PolarHBondContact O-N 3.22Å; I689-S691 VanDerWaalsContact C-N 3.3Å; I689-S691 PolarHBondContact O-N 2.91Å; I689-H692 PolarHBondContact O-N 2.96Å; I689-F693 PolarHBondContact O-N 3.36Å
690	S	89.1	Confident	85.6	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.112	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-38.1	176.3	-155.2	0	0	0	0	112.6	L686 S694	L686-S690 PolarHBondContact O-N 2.81Å; S690-S694 PolarHBondContact O-N 3.36Å; S690-S694 PolarHBondContact O-OG 3.16Å
691	S	89.9	Confident	86.7	Confident	71 Å²	71	49.2 Å²	49.2	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174	-170.2	0	0	0	0	111.5	N687 Q688 I689 F693 S694 T695	N687-S691 WeakPolarHBondContact O-CB 3.2Å; N687-S691 PolarHBondContact O-N 3.49Å; Q688-S691 PolarHBondContact O-N 3.26Å; I689-S691 VanDerWaalsContact C-N 3.3Å; I689-S691 PolarHBondContact O-N 2.91Å; S691-F693 VanDerWaalsContact C-N 3.35Å; S691-F693 PolarHBondContact O-N 2.96Å; S691-S694 WeakPolarHBondContact O-CB 3.49Å; S691-S694 PolarHBondContact O-N 3.12Å; S691-S694 VanDerWaalsContact O-N 3.16Å; S691-T695 PolarHBondContact O-N 3.06Å; S691-T695 PolarHBondContact O-OG1 2.9Å
692	H	89.5	Confident	87.7	Confident	77 Å²	77	47.3 Å²	47.3	36%	0.356	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-41.9	177.6	-171.2	-70.6	0	0	0	112	T271 Q688 I689 S694 T695 S696	T271-H692 CarbonylContact O-C 3.49Å; T271-H692 PolarHBondContact O-ND1 3.27Å; Q688-H692 WeakPolarHBondContact O-CB 3.42Å; Q688-H692 PolarHBondContact O-N 3.24Å; I689-H692 PolarHBondContact O-N 2.96Å; H692-S694 VanDerWaalsContact C-N 3.34Å; H692-S694 PolarHBondContact O-N 3.16Å; H692-T695 PolarHBondContact O-N 3.1Å; H692-S696 PolarHBondContact CE1-OG 3.38Å; H692-S696 PolarHBondContact ND1-OG 3.4Å; H692-S696 VanDerWaalsContact O-CB 3.25Å; H692-S696 WeakPolarHBondContact O-CB 3.29Å; H692-S696 PolarHBondContact O-N 2.91Å; H692-S696 PolarHBondContact O-OG 3.03Å
693	F	91.4	Very high	87.8	Confident	3 Å²	3	43.2 Å²	43.2	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-43.2	173.9	-177.4	-88.7	0	0	0	112	Q137 Q141 L270 T271 P273 I689 S691 S696 S697	Q137-F693 HydrophobicContact CB-CE1 4.12Å; Q137-F693 HydrophobicContact CB-CZ 3.77Å; Q141-F693 VanDerWaalsContact NE2-CD1 3.3Å; Q141-F693 VanDerWaalsContact NE2-CE1 3.27Å; Q141-F693 VanDerWaalsContact NE2-CZ 3.34Å; L270-F693 HydrophobicContact CB-CD2 3.8Å; L270-F693 HydrophobicContact CB-CE2 3.91Å; L270-F693 HydrophobicContact CD1-CE2 4.01Å; T271-F693 WeakPolarHBondContact O-CA 3.38Å; T271-F693 PolarHBondContact O-N 3.21Å; P273-F693 HydrophobicContact CG-CE2 4.44Å; I689-F693 PolarHBondContact O-N 3.36Å; S691-F693 VanDerWaalsContact C-N 3.35Å; S691-F693 PolarHBondContact O-N 2.96Å; F693-S696 PolarHBondContact O-N 3.43Å; F693-S697 VanDerWaalsContact CE1-OG 3.31Å; F693-S697 WeakPolarHBondContact CE1-OG 3.33Å; F693-S697 VanDerWaalsContact O-CB 3.32Å; F693-S697 WeakPolarHBondContact O-CB 2.98Å; F693-S697 PolarHBondContact O-N 3.25Å; F693-S697 PolarHBondContact O-OG 2.89Å
694	S	91.2	Very high	87.4	Confident	57 Å²	57	44.8 Å²	44.8	40%	0.399	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-49.1	179.2	-56.3	0	0	0	0	111	S690 S691 H692 S697 E698	S690-S694 PolarHBondContact O-N 3.36Å; S690-S694 PolarHBondContact O-OG 3.16Å; S691-S694 WeakPolarHBondContact O-CB 3.49Å; S691-S694 PolarHBondContact O-N 3.12Å; S691-S694 VanDerWaalsContact O-N 3.16Å; H692-S694 VanDerWaalsContact C-N 3.34Å; H692-S694 PolarHBondContact O-N 3.16Å; S694-S697 PolarHBondContact O-N 3.34Å; S694-E698 PolarHBondContact O-N 3.35Å
695	T	90.7	Very high	86.9	Confident	51 Å²	51	47.2 Å²	47.2	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-40.8	176.2	-59.5	0	0	0	0	112.6	S691 H692 S697 E698 R699	S691-T695 PolarHBondContact O-N 3.06Å; S691-T695 PolarHBondContact O-OG1 2.9Å; H692-T695 PolarHBondContact O-N 3.1Å; T695-S697 VanDerWaalsContact C-N 3.33Å; T695-S697 PolarHBondContact O-N 3.03Å; T695-E698 PolarHBondContact O-N 2.8Å; T695-R699 HydrophobicContact CG2-CG 4.42Å; T695-R699 WeakPolarHBondContact O-CB 3.12Å; T695-R699 VanDerWaalsContact O-CG 3.25Å; T695-R699 WeakPolarHBondContact O-CG 3.49Å; T695-R699 PolarHBondContact O-N 3.31Å
696	S	89	Confident	86.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-41	175.4	-62.4	0	0	0	0	111.5	T271 H692 F693 L700	T271-S696 PolarHBondContact O-OG 2.78Å; H692-S696 PolarHBondContact CE1-OG 3.38Å; H692-S696 PolarHBondContact ND1-OG 3.4Å; H692-S696 VanDerWaalsContact O-CB 3.25Å; H692-S696 WeakPolarHBondContact O-CB 3.29Å; H692-S696 PolarHBondContact O-N 2.91Å; H692-S696 PolarHBondContact O-OG 3.03Å; F693-S696 PolarHBondContact O-N 3.43Å; S696-L700 VanDerWaalsContact O-CB 3.26Å; S696-L700 WeakPolarHBondContact O-CB 3.42Å; S696-L700 PolarHBondContact O-N 2.89Å
697	S	89.2	Confident	84.8	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-44.4	177.6	-57.7	0	0	0	0	111.8	P273 F693 S694 T695 L700 L701	P273-S697 WeakPolarHBondContact CG-OG 3.38Å; F693-S697 VanDerWaalsContact CE1-OG 3.31Å; F693-S697 WeakPolarHBondContact CE1-OG 3.33Å; F693-S697 VanDerWaalsContact O-CB 3.32Å; F693-S697 WeakPolarHBondContact O-CB 2.98Å; F693-S697 PolarHBondContact O-N 3.25Å; F693-S697 PolarHBondContact O-OG 2.89Å; S694-S697 PolarHBondContact O-N 3.34Å; T695-S697 VanDerWaalsContact C-N 3.33Å; T695-S697 PolarHBondContact O-N 3.03Å; S697-L700 PolarHBondContact O-N 2.91Å; S697-L701 WeakPolarHBondContact O-CB 3.42Å; S697-L701 WeakPolarHBondContact O-CG 3.48Å; S697-L701 PolarHBondContact O-N 3.24Å
698	E	88.6	Confident	83.3	Confident	120 Å²	120	54.6 Å²	54.6	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-62.3	-47.1	176	-177.1	178.4	-166.3	0	0	111.6	S694 T695 L700 L701 N702	S694-E698 PolarHBondContact O-N 3.35Å; T695-E698 PolarHBondContact O-N 2.8Å; E698-L700 PolarHBondContact O-N 3.12Å; E698-L701 PolarHBondContact O-N 3.37Å; E698-N702 WeakPolarHBondContact O-CB 3.01Å; E698-N702 PolarHBondContact O-N 2.82Å; E698-N702 PolarHBondContact O-ND2 3.15Å
699	R	86	Confident	81.5	Confident	107 Å²	107	56 Å²	56	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-59.5	-43.9	175.1	-73.3	170.1	172.3	-179.3	-2.5	111.9	T695 N702 L703 E719 I720	T695-R699 HydrophobicContact CG2-CG 4.42Å; T695-R699 WeakPolarHBondContact O-CB 3.12Å; T695-R699 VanDerWaalsContact O-CG 3.25Å; T695-R699 WeakPolarHBondContact O-CG 3.49Å; T695-R699 PolarHBondContact O-N 3.31Å; R699-N702 PolarHBondContact O-N 3.04Å; R699-L703 VanDerWaalsContact O-CG 3.31Å; R699-L703 WeakPolarHBondContact O-CG 3.41Å; R699-L703 PolarHBondContact O-N 2.95Å; R699-E719 WeakPolarHBondContact CD-OE1 3.13Å; R699-E719 IonicContact CZ-OE1 2.73Å; R699-E719 IonicContact NE-OE1 3.12Å; R699-E719 IonicContact NH1-OE1 3.48Å; R699-E719 PolarHBondContact NH1-OE1 3.1Å; R699-E719 IonicContact NH1-OE2 2.67Å; R699-E719 PolarHBondContact NH1-OE2 3.06Å; R699-I720 HydrophobicContact CB-CD1 3.6Å
700	L	84.6	Confident	79.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-47.8	176.1	175.7	61.1	0	0	0	111.8	M134 P273 S696 S697 E698 N702 L703 L704 L724	M134-L700 HydrophobicContact CE-CD2 3.42Å; M134-L700 VanDerWaalsContact CE-CD2 3.42Å; M134-L700 HydrophobicContact CE-CG 4.01Å; M134-L700 HydrophobicContact SD-CD2 3.98Å; M134-L700 HydrophobicContact SD-CG 4.45Å; P273-L700 HydrophobicContact CB-CD2 3.68Å; P273-L700 HydrophobicContact CG-CD2 3.75Å; S696-L700 VanDerWaalsContact O-CB 3.26Å; S696-L700 WeakPolarHBondContact O-CB 3.42Å; S696-L700 PolarHBondContact O-N 2.89Å; S697-L700 PolarHBondContact O-N 2.91Å; E698-L700 PolarHBondContact O-N 3.12Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.19Å; L700-L703 PolarHBondContact O-N 3.23Å; L700-L704 HydrophobicContact CD1-CD1 3.87Å; L700-L704 HydrophobicContact CD1-CG 4.02Å; L700-L704 HydrophobicContact CG-CD1 3.9Å; L700-L704 HydrophobicContact CG-CG 4.44Å; L700-L704 WeakPolarHBondContact O-CB 3.48Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.44Å; L700-L704 PolarHBondContact O-N 3.01Å; L700-L724 HydrophobicContact CD1-CD2 3.47Å; L700-L724 VanDerWaalsContact CD1-CD2 3.47Å; L700-L724 HydrophobicContact CD1-CG 3.7Å
701	L	84.9	Confident	78.4	Confident	26 Å²	26	62.7 Å²	62.7	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-39.5	178.4	-70.6	172	0	0	0	112.1	L127 E130 K131 M134 S697 E698 L704 S705	L127-L701 HydrophobicContact CD1-CD2 4.03Å; E130-L701 HydrophobicContact CB-CD2 4.13Å; K131-L701 HydrophobicContact CB-CD1 4.15Å; K131-L701 HydrophobicContact CB-CD2 4.02Å; K131-L701 HydrophobicContact CG-CD1 4.14Å; M134-L701 HydrophobicContact CE-CD2 4Å; M134-L701 HydrophobicContact CE-CG 4.45Å; M134-L701 HydrophobicContact SD-CD1 4.12Å; M134-L701 HydrophobicContact SD-CD2 3.8Å; M134-L701 HydrophobicContact SD-CG 3.69Å; S697-L701 WeakPolarHBondContact O-CB 3.42Å; S697-L701 WeakPolarHBondContact O-CG 3.48Å; S697-L701 PolarHBondContact O-N 3.24Å; E698-L701 PolarHBondContact O-N 3.37Å; L701-L704 CarbonylContact O-C 3.6Å; L701-L704 PolarHBondContact O-N 3.02Å; L701-S705 WeakPolarHBondContact O-CB 3.33Å; L701-S705 PolarHBondContact O-N 2.99Å; L701-S705 PolarHBondContact O-OG 2.76Å
702	N	83.1	Confident	76.6	Confident	95 Å²	95	66.3 Å²	66.3	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.9	-71.9	-23.4	0	0	0	111.7	E698 R699 L700 S705 L706	E698-N702 WeakPolarHBondContact O-CB 3.01Å; E698-N702 PolarHBondContact O-N 2.82Å; E698-N702 PolarHBondContact O-ND2 3.15Å; R699-N702 PolarHBondContact O-N 3.04Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.19Å; N702-S705 WeakPolarHBondContact O-CB 3.23Å; N702-S705 PolarHBondContact O-N 3.46Å; N702-S705 VanDerWaalsContact O-N 3.15Å; N702-L706 PolarHBondContact O-N 3.44Å
703	L	78.2	Confident	74.9	Confident	18 Å²	18	66.1 Å²	66.1	9%	0.094	36%	0.363	C	S	.	.	H	α-helix	trans	-69.4	-36.8	176	-69.7	171.4	0	0	0	112.8	R699 L700 S705 L706 T714 I720 L724	R699-L703 VanDerWaalsContact O-CG 3.31Å; R699-L703 WeakPolarHBondContact O-CG 3.41Å; R699-L703 PolarHBondContact O-N 2.95Å; L700-L703 PolarHBondContact O-N 3.23Å; L703-S705 PolarHBondContact O-N 3.05Å; L703-L706 HydrophobicContact CD2-CD1 3.8Å; L703-L706 PolarHBondContact O-N 2.72Å; L703-T714 HydrophobicContact CD2-CG2 3.5Å; L703-I720 HydrophobicContact CD1-CD1 3.69Å; L703-L724 HydrophobicContact CB-CD2 4.02Å; L703-L724 HydrophobicContact CD1-CD1 3.6Å; L703-L724 HydrophobicContact CD1-CD2 4.33Å
704	L	76.4	Confident	73.4	Confident	53 Å²	53	68.6 Å²	68.6	28%	0.277	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.2	170.8	-68	173.3	0	0	0	113.5	L127 E130 L700 L701	L127-L704 HydrophobicContact CD1-CB 3.94Å; E130-L704 HydrophobicContact CG-CD1 4.42Å; L700-L704 HydrophobicContact CD1-CD1 3.87Å; L700-L704 HydrophobicContact CD1-CG 4.02Å; L700-L704 HydrophobicContact CG-CD1 3.9Å; L700-L704 HydrophobicContact CG-CG 4.44Å; L700-L704 WeakPolarHBondContact O-CB 3.48Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.44Å; L700-L704 PolarHBondContact O-N 3.01Å; L701-L704 CarbonylContact O-C 3.6Å; L701-L704 PolarHBondContact O-N 3.02Å
705	S	77.8	Confident	72.2	Confident	65 Å²	65	72.1 Å²	72.1	46%	0.455	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	0.3	175.8	-53.8	0	0	0	0	113.4	L127 L701 N702 L703	L127-S705 VanDerWaalsContact CD2-OG 3.31Å; L127-S705 WeakPolarHBondContact CD2-OG 3.26Å; L701-S705 WeakPolarHBondContact O-CB 3.33Å; L701-S705 PolarHBondContact O-N 2.99Å; L701-S705 PolarHBondContact O-OG 2.76Å; N702-S705 WeakPolarHBondContact O-CB 3.23Å; N702-S705 PolarHBondContact O-N 3.46Å; N702-S705 VanDerWaalsContact O-N 3.15Å; L703-S705 PolarHBondContact O-N 3.05Å
706	L	72	Confident	71	Confident	62 Å²	62	73.1 Å²	73.1	33%	0.325	40%	0.4	S	S	.	.	S	Bend	trans	-78.2	142.3	175.4	-69.1	-179.7	0	0	0	111.2	N702 L703 K710 T714	N702-L706 PolarHBondContact O-N 3.44Å; L703-L706 HydrophobicContact CD2-CD1 3.8Å; L703-L706 PolarHBondContact O-N 2.72Å; L706-K710 HydrophobicContact CB-CB 4.42Å; L706-K710 HydrophobicContact CD2-CB 4.33Å; L706-K710 HydrophobicContact CD2-CD 4.45Å; L706-T714 HydrophobicContact CD1-CG2 4.34Å
707	D	62.1	Low	70	Confident	93 Å²	93	75 Å²	75	50%	0.497	41%	0.412	S	S	.	.			trans	-63.2	144.4	163.8	-45	-80	0	0	0	109.9	D709 K710 F711	D707-D709 PolarHBondContact O-N 2.87Å; D707-D709 VanDerWaalsContact O-N 3.09Å; D707-K710 HydrophobicContact CB-CD 4.36Å; D707-K710 WeakPolarHBondContact O-CB 3.28Å; D707-K710 PolarHBondContact O-N 3.45Å; D707-K710 WeakPolarHBondContact OD2-CD 3.45Å; D707-K710 VanDerWaalsContact OD2-CE 3.31Å; D707-K710 WeakPolarHBondContact OD2-CE 3.44Å; D707-K710 IonicContact OD2-NZ 2.77Å; D707-K710 PolarHBondContact OD2-NZ 3.3Å; D707-F711 PolarHBondContact O-N 2.84Å
708	D	57.8	Low	69.1	Low	90 Å²	90	83.2 Å²	83.2	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-51.8	-38.4	-175.8	-74.1	-43.2	0	0	0	112.5	H122 K710 F711	H122-D708 IonicContact CE1-OD1 2.65Å; H122-D708 PolarHBondContact CE1-OD1 3.06Å; H122-D708 IonicContact CE1-OD2 3.73Å; H122-D708 IonicContact NE2-OD1 4Å; H122-D708 PolarHBondContact NE2-OD1 3.17Å; H122-D708 VanDerWaalsContact NE2-OD1 3.12Å; H122-D708 IonicContact NE2-OD2 2.63Å; H122-D708 PolarHBondContact NE2-OD2 3.36Å; D708-K710 PolarHBondContact O-N 2.92Å; D708-F711 WeakPolarHBondContact O-CB 3.31Å; D708-F711 PolarHBondContact O-N 3.12Å
709	D	51.4	Low	68.1	Low	151 Å²	151	80 Å²	80	81%	0.807	43%	0.434	S	S	*	.	H	α-helix	trans	-60.3	-28.3	177.4	-65.1	-31.7	0	0	0	114	D707	D707-D709 PolarHBondContact O-N 2.87Å; D707-D709 VanDerWaalsContact O-N 3.09Å
710	K	55.5	Low	67.3	Low	120 Å²	120	74.9 Å²	74.9	52%	0.522	42%	0.415	S	S	.	.	H	α-helix	trans	-88.7	-22.9	179.9	-64.8	168.7	-175.4	162.5	0	112.2	L706 D707 D708 T714	L706-K710 HydrophobicContact CB-CB 4.42Å; L706-K710 HydrophobicContact CD2-CB 4.33Å; L706-K710 HydrophobicContact CD2-CD 4.45Å; D707-K710 HydrophobicContact CB-CD 4.36Å; D707-K710 WeakPolarHBondContact O-CB 3.28Å; D707-K710 PolarHBondContact O-N 3.45Å; D707-K710 WeakPolarHBondContact OD2-CD 3.45Å; D707-K710 VanDerWaalsContact OD2-CE 3.31Å; D707-K710 WeakPolarHBondContact OD2-CE 3.44Å; D707-K710 IonicContact OD2-NZ 2.77Å; D707-K710 PolarHBondContact OD2-NZ 3.3Å; D708-K710 PolarHBondContact O-N 2.92Å; K710-T714 PolarHBondContact O-OG1 3.27Å
711	F	57.7	Low	66.3	Low	47 Å²	47	76.1 Å²	76.1	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-64.6	-42.2	-179.4	-166	-92.9	0	0	0	111.5	D707 D708 G713 T714 I716	D707-F711 PolarHBondContact O-N 2.84Å; D708-F711 WeakPolarHBondContact O-CB 3.31Å; D708-F711 PolarHBondContact O-N 3.12Å; F711-G713 PolarHBondContact O-N 3.47Å; F711-T714 PolarHBondContact O-N 3.3Å; F711-I716 HydrophobicContact CE1-CD1 4.13Å; F711-I716 HydrophobicContact CZ-CD1 3.77Å; F711-I716 HydrophobicContact CZ-CG1 4.45Å
712	N	52.2	Low	65.2	Low	147 Å²	147	77.6 Å²	77.6	79%	0.786	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.3	-175.5	-68.6	-26	0	0	0	115.5
713	G	53.8	Low	64.2	Low	74 Å²	74	73.1 Å²	73.1	76%	0.763	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	0.3	174.6	0	0	0	0	0	114.8	F711	F711-G713 PolarHBondContact O-N 3.47Å
714	T	60	Low	63.3	Low	54 Å²	54	73 Å²	73	33%	0.331	41%	0.413	S	S	.	.			trans	-96	122.8	-169.4	-61.8	0	0	0	0	111.9	L703 L706 K710 F711 I716	L703-T714 HydrophobicContact CD2-CG2 3.5Å; L706-T714 HydrophobicContact CD1-CG2 4.34Å; K710-T714 PolarHBondContact O-OG1 3.27Å; F711-T714 PolarHBondContact O-N 3.3Å; T714-I716 PolarHBondContact O-N 3.43Å; T714-I716 VanDerWaalsContact O-N 3.09Å
715	T	64.3	Low	62.2	Low	131 Å²	131	78.6 Å²	78.6	80%	0.804	43%	0.432	S	S	*	.			trans	-67.8	106.3	174.6	52.4	0	0	0	0	111	P717	T715-P717 WeakPolarHBondContact O-CD 3.46Å
716	I	66.8	Low	61.2	Low	73 Å²	73	78.8 Å²	78.8	37%	0.374	43%	0.428	S	S	.	.			trans	-68.5	124.4	176.5	-66.2	172.6	0	0	0	109.9	F711 T714 A721 L724	F711-I716 HydrophobicContact CE1-CD1 4.13Å; F711-I716 HydrophobicContact CZ-CD1 3.77Å; F711-I716 HydrophobicContact CZ-CG1 4.45Å; T714-I716 PolarHBondContact O-N 3.43Å; T714-I716 VanDerWaalsContact O-N 3.09Å; I716-A721 HydrophobicContact CG2-CB 3.89Å; I716-L724 HydrophobicContact CB-CD1 4.41Å; I716-L724 HydrophobicContact CG1-CD1 4.27Å; I716-L724 HydrophobicContact CG2-CD1 3.42Å; I716-L724 VanDerWaalsContact CG2-CD1 3.42Å
717	P	68.1	Low	60.7	Low	39 Å²	39	76.2 Å²	76.2	25%	0.253	42%	0.415	S	S	.	.			trans	-67.2	132.7	172.9	-17.2	30.7	0	0	0	111.3	T715 E719 I720 A721	T715-P717 WeakPolarHBondContact O-CD 3.46Å; P717-E719 HydrophobicContact CB-CG 4.12Å; P717-E719 PolarHBondContact O-N 3.33Å; P717-I720 HydrophobicContact CB-CG1 4.07Å; P717-I720 HydrophobicContact CG-CD1 4.19Å; P717-I720 HydrophobicContact CG-CG1 4.18Å; P717-I720 CarbonylContact O-C 3.53Å; P717-I720 WeakPolarHBondContact O-CG1 3.41Å; P717-I720 PolarHBondContact O-N 3.15Å; P717-A721 PolarHBondContact O-N 3.07Å
718	E	70.6	Confident	60.8	Low	182 Å²	182	81.6 Å²	81.6	85%	0.85	43%	0.428	S	S	*	.	H	α-helix	trans	-54.2	-38.7	-176	-171.3	178.1	-178.7	0	0	113	I720 A721	E718-I720 PolarHBondContact O-N 3.41Å; E718-I720 VanDerWaalsContact O-N 3.09Å; E718-A721 WeakPolarHBondContact O-CB 3.45Å; E718-A721 PolarHBondContact O-N 3.36Å; E718-A721 VanDerWaalsContact O-N 3.12Å
719	E	67	Low	61.4	Low	52 Å²	52	78.8 Å²	78.8	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-54	-28.3	177.2	79.3	-163.4	-156.5	0	0	114.2	R699 P717	R699-E719 WeakPolarHBondContact CD-OE1 3.13Å; R699-E719 IonicContact CZ-OE1 2.73Å; R699-E719 IonicContact NE-OE1 3.12Å; R699-E719 IonicContact NH1-OE1 3.48Å; R699-E719 PolarHBondContact NH1-OE1 3.1Å; R699-E719 IonicContact NH1-OE2 2.67Å; R699-E719 PolarHBondContact NH1-OE2 3.06Å; P717-E719 HydrophobicContact CB-CG 4.12Å; P717-E719 PolarHBondContact O-N 3.33Å
720	I	68.2	Low	62.4	Low	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-118.9	-1.1	178.3	55.5	174	0	0	0	113.4	R699 L703 P717 E718 S722 T723 L724	R699-I720 HydrophobicContact CB-CD1 3.6Å; L703-I720 HydrophobicContact CD1-CD1 3.69Å; P717-I720 HydrophobicContact CB-CG1 4.07Å; P717-I720 HydrophobicContact CG-CD1 4.19Å; P717-I720 HydrophobicContact CG-CG1 4.18Å; P717-I720 CarbonylContact O-C 3.53Å; P717-I720 WeakPolarHBondContact O-CG1 3.41Å; P717-I720 PolarHBondContact O-N 3.15Å; E718-I720 PolarHBondContact O-N 3.41Å; E718-I720 VanDerWaalsContact O-N 3.09Å; I720-S722 PolarHBondContact O-N 2.89Å; I720-T723 WeakPolarHBondContact CB-OG1 3.45Å; I720-T723 HydrophobicContact CG2-CG2 4.46Å; I720-T723 CarbonylContact O-C 3.59Å; I720-T723 PolarHBondContact O-N 2.59Å; I720-T723 PolarHBondContact O-OG1 2.66Å; I720-T723 VanDerWaalsContact O-OG1 3.11Å; I720-L724 HydrophobicContact CB-CD1 4.22Å; I720-L724 HydrophobicContact CD1-CD1 3.94Å; I720-L724 HydrophobicContact CG1-CD1 3.83Å; I720-L724 VanDerWaalsContact O-CB 3.3Å; I720-L724 WeakPolarHBondContact O-CB 3.41Å; I720-L724 WeakPolarHBondContact O-CD1 3.5Å; I720-L724 WeakPolarHBondContact O-CG 3.3Å; I720-L724 PolarHBondContact O-N 3.11Å
721	A	64.4	Low	63.4	Low	26 Å²	26	71.8 Å²	71.8	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-55	-39.5	170.4	0	0	0	0	0	111	I716 P717 E718 T723 Y725	I716-A721 HydrophobicContact CG2-CB 3.89Å; P717-A721 PolarHBondContact O-N 3.07Å; E718-A721 WeakPolarHBondContact O-CB 3.45Å; E718-A721 PolarHBondContact O-N 3.36Å; E718-A721 VanDerWaalsContact O-N 3.12Å; A721-T723 VanDerWaalsContact C-N 3.28Å; A721-T723 PolarHBondContact O-N 3.19Å; A721-Y725 WeakPolarHBondContact O-CD2 3.5Å; A721-Y725 VanDerWaalsContact O-CG 3.32Å; A721-Y725 PolarHBondContact O-N 3.22Å
722	S	61.4	Low	64	Low	58 Å²	58	70.1 Å²	70.1	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-26.9	174.2	61.9	0	0	0	0	114.7	I720	I720-S722 PolarHBondContact O-N 2.89Å
723	T	63.6	Low	64.9	Low	1 Å²	1	63.6 Å²	63.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-101.6	-23.2	-173	81.9	0	0	0	0	112.2	P273 P276 R279 I720 A721	P273-T723 WeakPolarHBondContact O-CB 3.39Å; P273-T723 WeakPolarHBondContact O-CG2 3.31Å; P276-T723 WeakPolarHBondContact CD-O 3.22Å; P276-T723 WeakPolarHBondContact CG-O 3.47Å; R279-T723 PolarHBondContact NH1-O 3.35Å; I720-T723 WeakPolarHBondContact CB-OG1 3.45Å; I720-T723 HydrophobicContact CG2-CG2 4.46Å; I720-T723 CarbonylContact O-C 3.59Å; I720-T723 PolarHBondContact O-N 2.59Å; I720-T723 PolarHBondContact O-OG1 2.66Å; I720-T723 VanDerWaalsContact O-OG1 3.11Å; A721-T723 VanDerWaalsContact C-N 3.28Å; A721-T723 PolarHBondContact O-N 3.19Å
724	L	58	Low	65.4	Low	15 Å²	15	62.1 Å²	62.1	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-81.8	-22	168.8	-75.9	159.3	0	0	0	112.9	L700 L703 I716 I720 L726	L700-L724 HydrophobicContact CD1-CD2 3.47Å; L700-L724 VanDerWaalsContact CD1-CD2 3.47Å; L700-L724 HydrophobicContact CD1-CG 3.7Å; L703-L724 HydrophobicContact CB-CD2 4.02Å; L703-L724 HydrophobicContact CD1-CD1 3.6Å; L703-L724 HydrophobicContact CD1-CD2 4.33Å; I716-L724 HydrophobicContact CB-CD1 4.41Å; I716-L724 HydrophobicContact CG1-CD1 4.27Å; I716-L724 HydrophobicContact CG2-CD1 3.42Å; I716-L724 VanDerWaalsContact CG2-CD1 3.42Å; I720-L724 HydrophobicContact CB-CD1 4.22Å; I720-L724 HydrophobicContact CD1-CD1 3.94Å; I720-L724 HydrophobicContact CG1-CD1 3.83Å; I720-L724 VanDerWaalsContact O-CB 3.3Å; I720-L724 WeakPolarHBondContact O-CB 3.41Å; I720-L724 WeakPolarHBondContact O-CD1 3.5Å; I720-L724 WeakPolarHBondContact O-CG 3.3Å; I720-L724 PolarHBondContact O-N 3.11Å; L724-L726 PolarHBondContact O-N 3.38Å
725	Y	53	Low	65.4	Low	170 Å²	170	63.8 Å²	63.8	67%	0.667	31%	0.311	S	S	*	.			trans	-42.4	106.8	-169.4	-98.7	-44.8	0	0	0	111.1	A721 V727	A721-Y725 WeakPolarHBondContact O-CD2 3.5Å; A721-Y725 VanDerWaalsContact O-CG 3.32Å; A721-Y725 PolarHBondContact O-N 3.22Å; Y725-V727 PolarHBondContact O-N 2.92Å
726	L	57.5	Low	65.1	Low	70 Å²	70	58.1 Å²	58.1	37%	0.366	28%	0.275	S	S	.	.			trans	-45.7	128.6	-175.1	-61.9	167.1	0	0	0	108	P119 L724 R728	P119-L726 VanDerWaalsContact CB-C 3.43Å; P119-L726 HydrophobicContact CB-CB 3.76Å; P119-L726 WeakPolarHBondContact CB-O 3.46Å; P119-L726 WeakPolarHBondContact O-CB 3.22Å; L724-L726 PolarHBondContact O-N 3.38Å; L726-R728 PolarHBondContact O-N 3.03Å
727	V	62.3	Low	64	Low	8 Å²	8	56.8 Å²	56.8	5%	0.048	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-65.3	109.5	-149.5	-171.9	0	0	0	0	111.3	C120 P276 Y570 Y725 R729	C120-V727 PolarHBondContact O-N 2.86Å; P276-V727 HydrophobicContact CB-CG2 3.83Å; P276-V727 HydrophobicContact CG-CG2 4.18Å; Y570-V727 HydrophobicContact CD1-CB 3.91Å; Y570-V727 HydrophobicContact CD1-CG1 3.64Å; Y570-V727 HydrophobicContact CD1-CG2 4.12Å; Y570-V727 HydrophobicContact CD2-CG1 3.76Å; Y570-V727 HydrophobicContact CE1-CB 4.04Å; Y570-V727 HydrophobicContact CE1-CG1 3.67Å; Y570-V727 HydrophobicContact CE1-CG2 3.8Å; Y570-V727 HydrophobicContact CE2-CG1 3.8Å; Y570-V727 HydrophobicContact CG-CB 4.33Å; Y570-V727 HydrophobicContact CG-CG1 3.69Å; Y725-V727 PolarHBondContact O-N 2.92Å; V727-R729 PolarHBondContact O-N 2.89Å
728	R	63.8	Low	62.6	Low	205 Å²	205	55.8 Å²	55.8	77%	0.774	27%	0.266	S	S	*	.			trans	-61.8	112.2	179.3	-169.7	177.9	-173.2	173.1	5.1	108.8	R277 L726	R277-R728 PolarHBondContact NH2-O 3.35Å; R277-R728 VanDerWaalsContact NH2-O 3.07Å; L726-R728 PolarHBondContact O-N 3.03Å
729	R	69.3	Low	60.9	Low	31 Å²	31	47.5 Å²	47.5	12%	0.117	23%	0.23	C	C	.	.			trans	-75.4	133	173.2	-74.8	150.9	-177.4	-130.3	16.9	108.7	T54 C55 Y570 L571 E577 V727	T54-R729 VanDerWaalsContact C-NH1 3.33Å; T54-R729 PolarHBondContact O-NH1 3.46Å; T54-R729 WeakPolarHBondContact OG1-CD 3.26Å; T54-R729 PolarHBondContact OG1-NE 3.3Å; T54-R729 PolarHBondContact OG1-NH2 3.4Å; C55-R729 PolarHBondContact SG-NH2 3.36Å; Y570-R729 VanDerWaalsContact O-CZ 3.27Å; Y570-R729 PolarHBondContact O-NH1 2.88Å; L571-R729 HydrophobicContact CD1-CB 4.23Å; L571-R729 HydrophobicContact CD2-CB 3.79Å; L571-R729 HydrophobicContact CD2-CG 3.58Å; L571-R729 HydrophobicContact CG-CB 3.93Å; L571-R729 HydrophobicContact CG-CG 3.92Å; E577-R729 WeakPolarHBondContact OE1-CA 3.34Å; V727-R729 PolarHBondContact O-N 2.89Å
730	L	73.4	Confident	59.2	Low	23 Å²	23	45.6 Å²	45.6	12%	0.12	22%	0.221	C	C	.	.			trans	-82.9	177.1	177	-56.4	169.7	0	0	0	108.8	L571 E577 I578 E580	L571-L730 WeakPolarHBondContact CD1-O 3.32Å; E577-L730 HydrophobicContact CB-CB 4.01Å; E577-L730 HydrophobicContact CB-CD1 4.17Å; E577-L730 HydrophobicContact CG-CB 4.16Å; E577-L730 PolarHBondContact OE1-N 2.72Å; I578-L730 HydrophobicContact CG1-CB 4.14Å; E580-L730 VanDerWaalsContact CD-CD2 3.46Å; E580-L730 HydrophobicContact CG-CD1 3.58Å; E580-L730 HydrophobicContact CG-CD2 3.71Å; E580-L730 HydrophobicContact CG-CG 4.28Å
731	R	75.7	Confident	57.6	Low	101 Å²	101	48.7 Å²	48.7	38%	0.381	24%	0.235	S	C	.	.			trans	-69.4	150.7	171	-63	-168.5	152.4	139.9	2.9	110.6	E115 E577 I578	E115-R731 IonicContact OE1-CZ 3.4Å; E115-R731 IonicContact OE1-NE 3.58Å; E115-R731 PolarHBondContact OE1-NE 3.21Å; E115-R731 IonicContact OE1-NH2 3.6Å; E115-R731 PolarHBondContact OE1-NH2 3.25Å; E115-R731 IonicContact OE2-CZ 3.5Å; E115-R731 IonicContact OE2-NE 2.73Å; E115-R731 PolarHBondContact OE2-NE 3.2Å; E115-R731 IonicContact OE2-NH2 2.71Å; E115-R731 PolarHBondContact OE2-NH2 3.1Å; E577-R731 CarbonylContact C-O 3.47Å; E577-R731 WeakPolarHBondContact CA-O 3.37Å; I578-R731 HydrophobicContact CD1-CB 4.01Å; I578-R731 HydrophobicContact CG1-CB 4.14Å; I578-R731 WeakPolarHBondContact CG1-O 3.48Å; I578-R731 HydrophobicContact CG2-CB 4.29Å; I578-R731 PolarHBondContact N-O 3.46Å
732	L	71.3	Confident	56	Low	13 Å²	13	50.8 Å²	50.8	7%	0.068	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-66.4	134.4	168.1	-68.3	170.9	0	0	0	110.1	V110 Q111 L114 L571 W574 C576 L734	V110-L732 HydrophobicContact CG1-CD1 4.43Å; Q111-L732 VanDerWaalsContact OE1-CB 3.31Å; Q111-L732 VanDerWaalsContact OE1-CG 3.22Å; L114-L732 HydrophobicContact CD1-CD1 4.2Å; L571-L732 HydrophobicContact CB-CD2 3.84Å; L571-L732 HydrophobicContact CD1-CD2 3.69Å; L571-L732 HydrophobicContact CD1-CG 3.91Å; L571-L732 HydrophobicContact CG-CD2 4.43Å; W574-L732 HydrophobicContact CB-CD1 4.06Å; W574-L732 HydrophobicContact CB-CD2 4.27Å; C576-L732 CarbonylContact O-C 3.55Å; C576-L732 WeakPolarHBondContact O-CA 3.45Å; L732-L734 HydrophobicContact CB-CD2 4.12Å; L732-L734 PolarHBondContact O-N 3.23Å; L732-L734 VanDerWaalsContact O-N 3.11Å
733	D	71.5	Confident	54.7	Low	10 Å²	10	51.1 Å²	51.1	5%	0.053	24%	0.238	C	C	.	.			trans	-73.5	96.1	169.4	-173.9	-24.2	0	0	0	108.4	R389 C576 I578 D735 I736	R389-D733 IonicContact NH2-OD1 2.74Å; R389-D733 IonicContact NH2-OD2 3.06Å; R389-D733 PolarHBondContact NH2-OD2 2.78Å; C576-D733 PolarHBondContact O-N 3.03Å; I578-D733 HydrophobicContact CG2-CB 4.06Å; D733-D735 PolarHBondContact O-N 2.87Å; D733-D735 WeakPolarHBondContact OD1-CA 3.45Å; D733-D735 WeakPolarHBondContact OD1-CB 3.24Å; D733-D735 PolarHBondContact OD1-N 2.88Å; D733-I736 HydrophobicContact CB-CB 4.27Å; D733-I736 HydrophobicContact CB-CD1 3.88Å; D733-I736 HydrophobicContact CB-CG1 4.07Å; D733-I736 WeakPolarHBondContact O-CB 3.4Å; D733-I736 PolarHBondContact O-N 3.09Å; D733-I736 VanDerWaalsContact O-N 3.08Å; D733-I736 PolarHBondContact OD1-N 3.46Å; D733-I736 VanDerWaalsContact OD1-N 3.11Å; D733-I736 WeakPolarHBondContact OD2-CD1 3.48Å
734	L	63.7	Low	53.2	Low	43 Å²	43	59.1 Å²	59.1	23%	0.225	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.8	179.4	-56.7	-176.2	0	0	0	113.1	R30 L104 Q107 I108 L732	R30-L734 VanDerWaalsContact CZ-O 3.26Å; R30-L734 VanDerWaalsContact NH1-C 3.32Å; R30-L734 PolarHBondContact NH1-O 3.14Å; R30-L734 PolarHBondContact NH2-O 2.9Å; L104-L734 HydrophobicContact CD1-CD1 4.25Å; Q107-L734 HydrophobicContact CB-CD2 3.97Å; I108-L734 HydrophobicContact CG1-CD1 4.23Å; L732-L734 HydrophobicContact CB-CD2 4.12Å; L732-L734 PolarHBondContact O-N 3.23Å; L732-L734 VanDerWaalsContact O-N 3.11Å
735	D	59.4	Low	52	Low	88 Å²	88	63.4 Å²	63.4	47%	0.471	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.3	169.2	-55	-42.1	0	0	0	111.2	R30 D733	R30-D735 IonicContact CZ-OD1 3.48Å; R30-D735 IonicContact NH1-OD1 3.34Å; R30-D735 PolarHBondContact NH1-OD1 2.61Å; D733-D735 PolarHBondContact O-N 2.87Å; D733-D735 WeakPolarHBondContact OD1-CA 3.45Å; D733-D735 WeakPolarHBondContact OD1-CB 3.24Å; D733-D735 PolarHBondContact OD1-N 2.88Å
736	I	58.2	Low	50.9	Low	13 Å²	13	60.2 Å²	60.2	7%	0.067	30%	0.301	C	S	.	.	S	Bend	trans	-86	119.8	163.4	-64.6	173.7	0	0	0	108.5	C576 R603 L613 E615 D733 A738	C576-I736 HydrophobicContact CB-CD1 3.79Å; C576-I736 HydrophobicContact CB-CG2 4.26Å; R603-I736 VanDerWaalsContact NH2-CD1 3.27Å; L613-I736 HydrophobicContact CD2-CD1 4.12Å; L613-I736 HydrophobicContact CD2-CG2 3.93Å; E615-I736 VanDerWaalsContact OE1-CD1 3.22Å; E615-I736 WeakPolarHBondContact OE1-CD1 3.36Å; D733-I736 HydrophobicContact CB-CB 4.27Å; D733-I736 HydrophobicContact CB-CD1 3.88Å; D733-I736 HydrophobicContact CB-CG1 4.07Å; D733-I736 WeakPolarHBondContact O-CB 3.4Å; D733-I736 PolarHBondContact O-N 3.09Å; D733-I736 VanDerWaalsContact O-N 3.08Å; D733-I736 PolarHBondContact OD1-N 3.46Å; D733-I736 VanDerWaalsContact OD1-N 3.11Å; D733-I736 WeakPolarHBondContact OD2-CD1 3.48Å; I736-A738 PolarHBondContact O-N 3.28Å
737	P	43.9	Very low	49.6	Very low	44 Å²	44	65.4 Å²	65.4	29%	0.286	32%	0.324	S	S	.	.			trans	-64.8	102.2	-175	-22.4	33.1	0	0	0	112.9	I440 G739 P758	I440-P737 HydrophobicContact CD1-CB 4.25Å; I440-P737 HydrophobicContact CD1-CG 3.72Å; I440-P737 HydrophobicContact CG1-CG 4.46Å; P737-G739 PolarHBondContact O-N 3.18Å; P737-P758 HydrophobicContact CB-CG 4.06Å; P737-P758 WeakPolarHBondContact O-CD 3.44Å; P737-P758 WeakPolarHBondContact O-CG 3.47Å
738	A	39	Very low	48.1	Very low	18 Å²	18	72.4 Å²	72.4	15%	0.149	36%	0.361	C	S	.	.			trans	-78.6	119	168.7	0	0	0	0	0	110.5	Q107 I736 L755	Q107-A738 PolarHBondContact NE2-O 2.93Å; I736-A738 PolarHBondContact O-N 3.28Å; A738-L755 HydrophobicContact CB-CD2 4.04Å
739	G	33.7	Very low	46.3	Very low	8 Å²	8	66.7 Å²	66.7	8%	0.082	37%	0.366	C	S	.	.			trans	-96.5	179.1	178	0	0	0	0	0	112	P737 K756	P737-G739 PolarHBondContact O-N 3.18Å; G739-K756 CarbonylContact C-O 2.91Å; G739-K756 VanDerWaalsContact CA-O 3.31Å; G739-K756 WeakPolarHBondContact CA-O 3.43Å; G739-K756 CarbonylContact O-C 3.52Å; G739-K756 PolarHBondContact O-N 3.37Å
740	F	32	Very low	44.2	Very low	12 Å²	12	75 Å²	75	5%	0.053	40%	0.402	C	S	.	.			trans	-129.7	135.5	165.4	-48.4	-126.2	0	0	0	108.1	Y61 I63 V68 K72 I103 N754 L755 K756	Y61-F740 HydrophobicContact CE2-CE1 4.4Å; I63-F740 HydrophobicContact CG2-CE1 3.99Å; I63-F740 HydrophobicContact CG2-CZ 4.01Å; V68-F740 HydrophobicContact CB-CB 4.2Å; V68-F740 HydrophobicContact CB-CD2 4.23Å; V68-F740 HydrophobicContact CB-CG 4.35Å; V68-F740 HydrophobicContact CG1-CB 3.82Å; V68-F740 HydrophobicContact CG1-CD2 3.73Å; V68-F740 HydrophobicContact CG1-CG 4.09Å; V68-F740 HydrophobicContact CG2-CB 4.04Å; V68-F740 HydrophobicContact CG2-CD1 4.21Å; V68-F740 HydrophobicContact CG2-CD2 3.5Å; V68-F740 VanDerWaalsContact CG2-CD2 3.5Å; V68-F740 HydrophobicContact CG2-CE2 3.93Å; V68-F740 HydrophobicContact CG2-CG 3.69Å; V68-F740 HydrophobicContact CG2-CZ 4.45Å; K72-F740 WeakPolarHBondContact CE-O 3.26Å; K72-F740 PolarHBondContact NZ-O 2.93Å; I103-F740 HydrophobicContact CG1-CE2 4.5Å; I103-F740 HydrophobicContact CG2-CE2 4.26Å; F740-N754 VanDerWaalsContact CD1-O 3.22Å; F740-N754 WeakPolarHBondContact CD1-O 3.48Å; F740-L755 HydrophobicContact CD1-CD1 4.12Å; F740-L755 HydrophobicContact CD1-CG 3.78Å; F740-L755 HydrophobicContact CE1-CD1 3.5Å; F740-L755 HydrophobicContact CE1-CD2 4.32Å; F740-L755 HydrophobicContact CE1-CG 3.58Å; F740-L755 HydrophobicContact CE2-CD2 4.3Å; F740-L755 HydrophobicContact CE2-CG 4.36Å; F740-L755 HydrophobicContact CG-CG 4.24Å; F740-L755 HydrophobicContact CZ-CD1 3.89Å; F740-L755 HydrophobicContact CZ-CD2 4.12Å; F740-L755 HydrophobicContact CZ-CG 3.89Å; F740-K756 PolarHBondContact N-O 3.24Å
741	E	34.3	Very low	42.1	Very low	66 Å²	66	76.9 Å²	76.9	31%	0.308	42%	0.417	S	S	.	.			trans	-101.5	167.1	164.8	-63.8	-147.4	114.9	0	0	110.5	N754 K756	E741-N754 PolarHBondContact O-OD1 2.63Å; E741-K756 HydrophobicContact CB-CB 4.31Å; E741-K756 HydrophobicContact CG-CB 4.14Å
742	I	30.9	Very low	39.8	Very low	70 Å²	70	78.6 Å²	78.6	36%	0.359	43%	0.43	S	S	.	.			trans	-120.8	101.1	-179.1	-51.7	174	0	0	0	106.8	A65 K69 H744	A65-I742 HydrophobicContact CB-CD1 3.87Å; A65-I742 HydrophobicContact CB-CG1 3.91Å; A65-I742 HydrophobicContact CB-CG2 4.35Å; K69-I742 HydrophobicContact CB-CD1 4.22Å; I742-H744 PolarHBondContact O-N 2.9Å
743	I	33.9	Very low	37.9	Very low	64 Å²	64	84.8 Å²	84.8	33%	0.328	45%	0.452	S	S	.	.			trans	-78.6	105.8	176	-58.8	179	0	0	0	108.7	N745	I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 WeakPolarHBondContact CG2-OD1 2.89Å; I743-N745 PolarHBondContact O-N 2.86Å; I743-N745 VanDerWaalsContact O-N 3.1Å
744	H	31.7	Very low	36.2	Very low	170 Å²	170	86.5 Å²	86.5	79%	0.787	46%	0.461	S	S	*	.			trans	-79.9	77.1	169.1	-84.4	-79.3	0	0	0	110.5	I742 S746	I742-H744 PolarHBondContact O-N 2.9Å; H744-S746 PolarHBondContact O-N 3.29Å
745	N	34.3	Very low	34.5	Very low	105 Å²	105	84.7 Å²	84.7	56%	0.561	45%	0.452	S	S	*	.			trans	-74.5	95	167.3	-85.1	6.9	0	0	0	109.8	I743	I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 WeakPolarHBondContact CG2-OD1 2.89Å; I743-N745 PolarHBondContact O-N 2.86Å; I743-N745 VanDerWaalsContact O-N 3.1Å
746	S	29.3	Very low	33.6	Very low	103 Å²	103	83.8 Å²	83.8	72%	0.72	44%	0.444	S	S	*	.			trans	-69.6	136	161.3	55.8	0	0	0	0	109.9	H744	H744-S746 PolarHBondContact O-N 3.29Å
747	Q	30.2	Very low	32.5	Very low	179 Å²	179	84.1 Å²	84.1	84%	0.836	45%	0.446	S	S	*	.	S	Bend	trans	75.6	136.1	-176.9	-50.5	173.3	-7.6	0	0	113.5
748	N	29.8	Very low	31.8	Very low	155 Å²	155	84.8 Å²	84.8	83%	0.829	45%	0.45	S	S	*	.	S	Bend	trans	59.6	93.1	-175.3	-61.4	-14.3	0	0	0	115.7	K750	N748-K750 VanDerWaalsContact C-N 3.35Å; N748-K750 PolarHBondContact O-N 3Å
749	G	26.9	Very low	31.3	Very low	85 Å²	85	85.6 Å²	85.6	88%	0.876	46%	0.46	S	S	*	.	S	Bend	trans	-73.5	66.2	-172.3	0	0	0	0	0	116.7
750	K	26	Very low	31.1	Very low	205 Å²	205	88 Å²	88	89%	0.891	47%	0.471	S	S	*	.			trans	-142.3	84.5	164.1	-71.7	-171.4	179.1	180	0	110.6	N748	N748-K750 VanDerWaalsContact C-N 3.35Å; N748-K750 PolarHBondContact O-N 3Å
751	S	27.8	Very low	30.8	Very low	62 Å²	62	93.7 Å²	93.7	43%	0.434	50%	0.502	S	S	.	.			trans	-136.6	93.8	-179.1	60.4	0	0	0	0	112.6
752	E	28.4	Very low	30.6	Very low	137 Å²	137	98.1 Å²	98.1	64%	0.64	52%	0.515	S	S	*	.			trans	-143.1	86.3	-179	-69.4	-177.4	143.3	0	0	112.1	K58	K58-E752 IonicContact NZ-OE2 3.25Å; K58-E752 PolarHBondContact NZ-OE2 3.4Å
753	R	31.2	Very low	30.6	Very low	144 Å²	144	97.9 Å²	97.9	54%	0.543	51%	0.514	S	S	.	.			trans	-154.3	104.7	159.8	-67.6	-167.7	-178.1	-172.8	-2.5	108.6
754	N	34.9	Very low	30.3	Very low	45 Å²	45	99.1 Å²	99.1	24%	0.241	52%	0.522	C	S	.	.			trans	-135.4	89.8	-175.1	-74	-34.9	0	0	0	113.5	Y61 F740 E741	Y61-N754 PolarHBondContact OH-O 2.65Å; F740-N754 VanDerWaalsContact CD1-O 3.22Å; F740-N754 WeakPolarHBondContact CD1-O 3.48Å; E741-N754 PolarHBondContact O-OD1 2.63Å
755	L	29.7	Very low	30.2	Very low	6 Å²	6	95.3 Å²	95.3	3%	0.031	51%	0.513	C	S	.	.			trans	-146.6	122.4	145.8	-111.9	122.4	0	0	0	106.5	Y61 V110 D573 W574 A738 F740	Y61-L755 HydrophobicContact CE1-CD1 4.44Å; V110-L755 HydrophobicContact CG2-CD1 4.02Å; D573-L755 CarbonylContact C-O 3.27Å; D573-L755 WeakPolarHBondContact O-CB 3.31Å; W574-L755 HydrophobicContact CE3-CB 3.9Å; W574-L755 HydrophobicContact CE3-CD1 3.89Å; W574-L755 HydrophobicContact CE3-CG 4.47Å; W574-L755 HydrophobicContact CZ3-CB 4.27Å; W574-L755 HydrophobicContact CZ3-CD1 4.09Å; W574-L755 WeakPolarHBondContact O-CD2 3.19Å; A738-L755 HydrophobicContact CB-CD2 4.04Å; F740-L755 HydrophobicContact CD1-CD1 4.12Å; F740-L755 HydrophobicContact CD1-CG 3.78Å; F740-L755 HydrophobicContact CE1-CD1 3.5Å; F740-L755 HydrophobicContact CE1-CD2 4.32Å; F740-L755 HydrophobicContact CE1-CG 3.58Å; F740-L755 HydrophobicContact CE2-CD2 4.3Å; F740-L755 HydrophobicContact CE2-CG 4.36Å; F740-L755 HydrophobicContact CG-CG 4.24Å; F740-L755 HydrophobicContact CZ-CD1 3.89Å; F740-L755 HydrophobicContact CZ-CD2 4.12Å; F740-L755 HydrophobicContact CZ-CG 3.89Å
756	K	39.3	Very low	29.9	Very low	69 Å²	69	95.8 Å²	95.8	30%	0.3	51%	0.513	S	S	.	.			trans	-152.9	130.1	-176.4	-75.9	-164.6	177.5	176.1	0	111.9	G739 F740 E741	G739-K756 CarbonylContact C-O 2.91Å; G739-K756 VanDerWaalsContact CA-O 3.31Å; G739-K756 WeakPolarHBondContact CA-O 3.43Å; G739-K756 CarbonylContact O-C 3.52Å; G739-K756 PolarHBondContact O-N 3.37Å; F740-K756 PolarHBondContact N-O 3.24Å; E741-K756 HydrophobicContact CB-CB 4.31Å; E741-K756 HydrophobicContact CG-CB 4.14Å
757	L	35.2	Very low	30	Very low	20 Å²	20	96.8 Å²	96.8	11%	0.105	51%	0.506	C	S	.	.			trans	-54.7	147.2	-168.1	-68.2	159.8	0	0	0	115.3	I612 G759	I612-L757 HydrophobicContact CG2-CD1 3.33Å; L757-G759 PolarHBondContact O-N 3.1Å; L757-G759 VanDerWaalsContact O-N 3.12Å
758	P	29.5	Very low	30.1	Very low	58 Å²	58	93.7 Å²	93.7	38%	0.377	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	88.6	173.1	34.6	-27.7	0	0	0	109.6	P737	P737-P758 HydrophobicContact CB-CG 4.06Å; P737-P758 WeakPolarHBondContact O-CD 3.44Å; P737-P758 WeakPolarHBondContact O-CG 3.47Å
759	G	28.4	Very low	30.1	Very low	34 Å²	34	89.9 Å²	89.9	35%	0.351	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	170.2	-25.5	178.7	0	0	0	0	0	113.8	T385 L757 N761	T385-G759 PolarHBondContact OG1-O 2.9Å; L757-G759 PolarHBondContact O-N 3.1Å; L757-G759 VanDerWaalsContact O-N 3.12Å; G759-N761 VanDerWaalsContact C-N 3.26Å; G759-N761 PolarHBondContact O-N 3.3Å
760	L	29.4	Very low	30.3	Very low	60 Å²	60	89 Å²	89	31%	0.314	46%	0.461	S	S	.	.			trans	-84.4	54.3	180	-74.1	169.6	0	0	0	113.6	R762 I763	L760-R762 PolarHBondContact O-N 3.25Å; L760-I763 HydrophobicContact CD2-CD1 4.21Å
761	N	26.4	Very low	30.6	Very low	131 Å²	131	85.3 Å²	85.3	70%	0.701	45%	0.445	S	S	*	.			trans	-62.1	122	162.1	-87.7	-47	0	0	0	109.3	G759	G759-N761 VanDerWaalsContact C-N 3.26Å; G759-N761 PolarHBondContact O-N 3.3Å
762	R	30.1	Very low	30.8	Very low	159 Å²	159	89.7 Å²	89.7	60%	0.6	46%	0.458	S	S	*	.	S	Bend	trans	72.6	81.9	170.4	-51.4	168.6	170.3	-177.1	-4.7	117.2	L760	L760-R762 PolarHBondContact O-N 3.25Å
763	I	29.9	Very low	30.8	Very low	64 Å²	64	89.2 Å²	89.2	33%	0.328	46%	0.459	S	S	.	.	S	Bend	trans	-123.6	-34.6	147.8	-66.5	-179.9	0	0	0	110.7	K610 L760 C765 M766	K610-I763 VanDerWaalsContact CE-CD1 3.5Å; L760-I763 HydrophobicContact CD2-CD1 4.21Å; I763-C765 PolarHBondContact O-N 3.35Å; I763-M766 PolarHBondContact O-N 3.16Å
764	D	28.9	Very low	30.7	Very low	91 Å²	91	86.3 Å²	86.3	49%	0.487	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	2.5	178.5	-57.8	15.9	0	0	0	113.7
765	C	28.8	Very low	30.4	Very low	89 Å²	89	88.9 Å²	88.9	60%	0.601	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.4	167.3	-58.4	0	0	0	0	114	I763	I763-C765 PolarHBondContact O-N 3.35Å
766	M	27.6	Very low	30.3	Very low	116 Å²	116	93.3 Å²	93.3	57%	0.571	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-35.1	-177	-80.7	170.4	59.1	0	0	114.1	I763 N768 C769 S770	I763-M766 PolarHBondContact O-N 3.16Å; M766-N768 VanDerWaalsContact C-N 3.26Å; M766-N768 PolarHBondContact O-N 3.06Å; M766-C769 PolarHBondContact O-N 2.96Å; M766-S770 PolarHBondContact O-N 3.02Å; M766-S770 PolarHBondContact O-OG 3.26Å
767	E	31.5	Very low	29.8	Very low	123 Å²	123	95 Å²	95	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-65.4	-28.4	-179.9	-70.6	-155.2	145.7	0	0	113.7	C769 S770 K771	E767-C769 VanDerWaalsContact C-N 3.33Å; E767-S770 WeakPolarHBondContact CA-OG 3.36Å; E767-S770 PolarHBondContact O-OG 3.21Å; E767-K771 WeakPolarHBondContact O-CB 3.48Å; E767-K771 WeakPolarHBondContact O-CD 3.43Å; E767-K771 VanDerWaalsContact O-CG 3.28Å; E767-K771 WeakPolarHBondContact O-CG 3.28Å; E767-K771 PolarHBondContact O-N 2.86Å; E767-K771 VanDerWaalsContact O-N 3.16Å; E767-K771 IonicContact OE2-NZ 2.76Å
768	N	32.3	Very low	29.4	Very low	115 Å²	115	102.6 Å²	102.6	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-80.6	-13.2	174.3	-71.8	-25.1	0	0	0	113.1	M766	M766-N768 VanDerWaalsContact C-N 3.26Å; M766-N768 PolarHBondContact O-N 3.06Å
769	C	30.1	Very low	29.3	Very low	75 Å²	75	108 Å²	108	51%	0.507	59%	0.594	S	S	.	*	H	α-helix	trans	-90.2	-38.3	170.5	-69.5	0	0	0	0	111.8	M766 E767 K771 Q772	M766-C769 PolarHBondContact O-N 2.96Å; E767-C769 VanDerWaalsContact C-N 3.33Å; C769-K771 VanDerWaalsContact C-N 3.35Å; C769-Q772 PolarHBondContact O-N 3.42Å
770	S	31.5	Very low	29.2	Very low	66 Å²	66	113.2 Å²	113.2	46%	0.462	62%	0.618	S	S	.	*	H	α-helix	trans	-67	-34.9	174.2	54.7	0	0	0	0	112.4	M766 E767 Q772 I773 S774	M766-S770 PolarHBondContact O-N 3.02Å; M766-S770 PolarHBondContact O-OG 3.26Å; E767-S770 WeakPolarHBondContact CA-OG 3.36Å; E767-S770 PolarHBondContact O-OG 3.21Å; S770-Q772 PolarHBondContact O-N 3.45Å; S770-I773 PolarHBondContact O-N 3.28Å; S770-S774 PolarHBondContact O-N 3.03Å
771	K	32.4	Very low	29.1	Very low	128 Å²	128	119.4 Å²	119.4	56%	0.557	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-6.8	173.1	-72.2	169	-176.6	158.4	0	115	E767 C769 S774	E767-K771 WeakPolarHBondContact O-CB 3.48Å; E767-K771 WeakPolarHBondContact O-CD 3.43Å; E767-K771 VanDerWaalsContact O-CG 3.28Å; E767-K771 WeakPolarHBondContact O-CG 3.28Å; E767-K771 PolarHBondContact O-N 2.86Å; E767-K771 VanDerWaalsContact O-N 3.16Å; E767-K771 IonicContact OE2-NZ 2.76Å; C769-K771 VanDerWaalsContact C-N 3.35Å; K771-S774 PolarHBondContact O-OG 3.2Å
772	Q	30.7	Very low	29.1	Very low	153 Å²	153	121.2 Å²	121.2	72%	0.715	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-6.6	167.1	-74	-168.5	-21.5	0	0	113.5	C769 S770	C769-Q772 PolarHBondContact O-N 3.42Å; S770-Q772 PolarHBondContact O-N 3.45Å
773	I	29.2	Very low	29.1	Very low	127 Å²	127	124 Å²	124	65%	0.651	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-25.2	175.6	-64.5	167.9	0	0	0	110.5	S770 S775	S770-I773 PolarHBondContact O-N 3.28Å; I773-S775 PolarHBondContact O-N 3.25Å
774	S	29.7	Very low	29	Very low	84 Å²	84	126.8 Å²	126.8	59%	0.587	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	16.8	175.9	58.8	0	0	0	0	115.1	S770 K771	S770-S774 PolarHBondContact O-N 3.03Å; K771-S774 PolarHBondContact O-OG 3.2Å
775	S	28.3	Very low	28.9	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	32.9	179.2	68.3	0	0	0	0	113	I773	I773-S775 PolarHBondContact O-N 3.25Å
776	S	27.8	Very low	28.9	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	70%	0.695	S	S	*	*	S	Bend	trans	-151.6	43.9	173.3	70	0	0	0	0	112.6
777	S	27.8	Very low	28.9	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	70%	0.702	S	S	*	*	S	Bend	trans	-130.2	18.3	179.2	64	0	0	0	0	114.3
778	E	27.7	Very low	28.8	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	71%	0.711	S	S	*	*	S	Bend	trans	-119.7	164	157.9	-64.6	-168.3	132.4	0	0	108
779	L	26.5	Very low	28.6	Very low	172 Å²	172	130 Å²	130	90%	0.901	71%	0.705	S	S	*	*			trans	65.5	61.4	-171.6	-55.2	168.9	0	0	0	116.1
780	V	26.5	Very low	28.6	Very low	142 Å²	142	135.3 Å²	135.3	86%	0.861	72%	0.719	S	S	*	*				-150	102.9	118.7	-175.5	0	0	0	0	109.7
781	K	27.9	Very low	28.5	Very low	190 Å²	190	137 Å²	137	83%	0.826	73%	0.727	S	S	*	*			trans	-120.1	141.3	147.4	-87.2	-172.4	177.1	179.3	0	108.2
782	E	26.7	Very low	28.3	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	74%	0.742	S	S	*	*			trans	44.8	97	161.4	-60.1	-177.1	120.4	0	0	118.2
783	K	30.3	Very low	28.1	Very low	216 Å²	216	139.6 Å²	139.6	94%	0.939	74%	0.739	S	S	*	*				-144.7	131.6	119.6	-111.1	150.6	-168.7	168.7	0	111.5
784	T	26.8	Very low	28	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	74%	0.743	S	S	*	*			trans	-95	160.8	-167.3	41	0	0	0	0	112.8
785	S	28.2	Very low	27.8	Very low	93 Å²	93	145.9 Å²	145.9	65%	0.65	76%	0.755	S	S	*	*			trans	83.6	137.9	153.3	90.4	0	0	0	0	118.7
786	N	27.8	Very low	27.7	Very low	126 Å²	126	146.3 Å²	146.3	67%	0.674	75%	0.753	S	S	*	*			trans	64.2	140.4	143.1	-65.3	-37.5	0	0	0	119.9
787	K	28	Very low	27.6	Very low	162 Å²	162	148.5 Å²	148.5	70%	0.704	76%	0.756	S	S	*	*			cis	-175.6	147.2	-21.5	-125.8	177.6	-170.4	168.9	0	106.1
788	I	29	Very low	27.5	Very low	149 Å²	149	148.9 Å²	148.9	76%	0.764	75%	0.754	S	S	*	*			trans	66.6	144.6	151.4	-65.5	166.4	0	0	0	116.2
789	S	29	Very low	27.5	Very low	72 Å²	72	145 Å²	145	50%	0.503	75%	0.746	S	S	.	*			cis	-174.6	162.4	-30.3	72.5	0	0	0	0	108.4
790	K	29	Very low	27.5	Very low	185 Å²	185	145.8 Å²	145.8	80%	0.804	74%	0.743	S	S	*	*			trans	68.7	156	150.9	-67.5	172.3	-171.8	170.6	0	116
791	T	29	Very low	27.6	Very low	101 Å²	101	148 Å²	148	62%	0.62	74%	0.74	S	S	*	*			cis	-165.3	145.2	-8.3	21.6	0	0	0	0	111.6
792	R	28.4	Very low	27.6	Very low	229 Å²	229	147.9 Å²	147.9	86%	0.864	74%	0.74	S	S	*	*			trans	67.2	161.6	139.3	-70.5	177.6	170.7	-175.8	-3.9	117.4
793	V	26.9	Very low	27.7	Very low	108 Å²	108	148 Å²	148	66%	0.655	74%	0.738	S	S	*	*			cis	-152	153.6	-2.6	107.2	0	0	0	0	111.8
794	M	26.1	Very low	27.7	Very low	151 Å²	151	143.2 Å²	143.2	74%	0.744	73%	0.727	S	S	*	*			trans	28.1	129.5	156	-55.6	154.2	83.1	0	0	120.1
795	K	26.5	Very low	27.9	Very low	191 Å²	191	142.7 Å²	142.7	83%	0.83	72%	0.724	S	S	*	*				63.9	123.9	53.6	-152.3	-173	-175.2	177.7	0	110.3
796	V	25.4	Very low	28.1	Very low	109 Å²	109	144.6 Å²	144.6	66%	0.661	73%	0.731	S	S	*	*				170.7	132	99	148.2	0	0	0	0	112.5
797	I	27.1	Very low	28.4	Very low	143 Å²	143	143.4 Å²	143.4	73%	0.733	73%	0.733	S	S	*	*			trans	67.2	106.1	145.5	-66.6	176.3	0	0	0	124.2
798	T	25.4	Very low	28.6	Very low	115 Å²	115	143.3 Å²	143.3	71%	0.706	74%	0.737	S	S	*	*				40.4	135.6	127.2	87.7	0	0	0	0	126.5
799	S	26.6	Very low	28.9	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	73%	0.73	S	S	*	*				123.4	136.4	111	78.3	0	0	0	0	121.5
800	K	27.1	Very low	29.3	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	74%	0.737	S	S	*	*			trans	72.3	134.1	143.7	-76.1	166.1	-179.1	168.1	0	122.7
801	K	27.7	Very low	29.7	Very low	188 Å²	188	143.9 Å²	143.9	82%	0.817	73%	0.733	S	S	*	*			trans	85.5	108.2	142.3	-79	177.4	177.1	178.4	0	122.5
802	K	28.6	Very low	30.1	Very low	188 Å²	188	142.9 Å²	142.9	82%	0.817	73%	0.73	S	S	*	*				70.5	137.6	118.4	-109.7	-177.8	178.7	177.2	0	122.6
803	K	29	Very low	30.5	Very low	173 Å²	173	137.5 Å²	137.5	75%	0.752	72%	0.719	S	S	*	*			trans	98.9	100.5	134.2	-98.6	-161.9	169.3	-164.4	0	122.9
804	T	29.7	Very low	31	Very low	115 Å²	115	141.5 Å²	141.5	71%	0.706	73%	0.728	S	S	*	*				73.5	156.6	125.1	31.4	0	0	0	0	125.5
805	T	31.7	Very low	31.3	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	73%	0.726	S	S	*	*			trans	94.2	101	144.9	24.3	0	0	0	0	122.6
806	T	31.9	Very low	31.7	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	73%	0.728	S	S	*	*				52.2	140.8	127.6	52.5	0	0	0	0	121.4
807	S	34.4	Very low	32.1	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	73%	0.731	S	S	*	*				-152.2	156.1	53.5	60.8	0	0	0	0	114.7
808	M	31.4	Very low	32.6	Very low	160 Å²	160	140.3 Å²	140.3	79%	0.788	73%	0.73	S	S	*	*				51.8	135.8	111.6	-57.5	-177.9	79.6	0	0	116.5
809	E	36.3	Very low	33.3	Very low	130 Å²	130	140 Å²	140	61%	0.607	73%	0.731	S	S	*	*			cis	-156.7	-172.8	1.7	-123	-173.2	135.2	0	0	107.2
810	K	36.7	Very low	33.6	Very low	152 Å²	152	142 Å²	142	66%	0.661	74%	0.739	S	S	*	*			cis	-156.1	-177.1	9.8	-137.9	152.6	-175.2	127	0	106.6
811	N	37	Very low	33.9	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	73%	0.734	S	S	*	*			cis	-148.6	-121.4	8.3	-163.3	-21.5	0	0	0	112.4
812	S	37.8	Very low	34.1	Very low	80 Å²	80	132.5 Å²	132.5	56%	0.559	73%	0.731	S	S	*	*			trans	-153.4	177.1	-162.8	64.5	0	0	0	0	110.6
813	N	38.2	Very low	34.6	Very low	116 Å²	116	132.1 Å²	132.1	62%	0.62	73%	0.729	S	S	*	*			cis	-164.4	147.7	19.7	-126.1	-36.6	0	0	0	112.1
814	K	36.1	Very low	34.9	Very low	193 Å²	193	130.2 Å²	130.2	84%	0.839	73%	0.727	S	S	*	*			trans	37.9	147.1	147	-61.4	157.8	-172.8	169.2	0	122.3
815	G	32.7	Very low	35.2	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	73%	0.725	S	S	*	*			cis	152.6	168.6	-4.7	0	0	0	0	0	114.3
816	R	34.1	Very low	35.4	Very low	235 Å²	235	131.4 Å²	131.4	89%	0.887	73%	0.729	S	S	*	*			trans	69.9	157.4	175.2	-62.8	-177.9	171.6	-178	-2.9	117.4
817	Q	35.5	Very low	35.7	Very low	155 Å²	155	130.6 Å²	130.6	72%	0.724	72%	0.72	S	S	*	*			cis	-162.2	158.9	-25.1	-109.5	175.8	-71.7	0	0	109.9
818	P	36.2	Very low	35.7	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	72%	0.716	S	S	*	*			trans	-105.5	-167.9	170.9	43.9	-36.5	0	0	0	111.8
819	P	41.1	Very low	36.1	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	72%	0.718	S	S	*	*			cis	-135.2	-160.9	-7.8	26.1	1.3	0	0	0	114.7
820	T	31.9	Very low	36.1	Very low	139 Å²	139	137 Å²	137	85%	0.853	73%	0.725	S	S	*	*			trans	85.9	147.2	153.8	72.4	0	0	0	0	123.5
821	G	33.2	Very low	36	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	73%	0.734	S	S	*	*			trans	96.2	134.8	165.5	0	0	0	0	0	116.5
822	S	33	Very low	36	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	73%	0.733	S	S	*	*			cis	164	148.7	-34.5	56.7	0	0	0	0	107.5
823	K	37.8	Very low	35.9	Very low	180 Å²	180	147.5 Å²	147.5	78%	0.783	75%	0.745	S	S	*	*			trans	85.2	111.1	163.4	-61.7	179.9	176.6	176.6	0	121.2
824	N	35.9	Very low	35.8	Very low	134 Å²	134	151.1 Å²	151.1	72%	0.717	76%	0.758	S	S	*	*				92.3	127.2	115.7	-70	18.1	0	0	0	124.5
825	T	37	Very low	35.5	Very low	107 Å²	107	152.9 Å²	152.9	66%	0.656	76%	0.759	S	S	*	*			trans	71.7	117.5	134.6	53.6	0	0	0	0	123.4
826	N	35.7	Very low	35.8	Very low	145 Å²	145	155.5 Å²	155.5	78%	0.775	76%	0.762	S	S	*	*			trans	68.8	159.8	137.8	-51.9	-7.5	0	0	0	117.3
827	D	37	Very low	36.2	Very low	115 Å²	115	155.4 Å²	155.4	62%	0.615	78%	0.779	S	S	*	*			cis	-148.1	-176.7	10.1	-152.1	-11.8	0	0	0	112.9
828	K	36	Very low	36.3	Very low	148 Å²	148	155.5 Å²	155.5	64%	0.643	78%	0.782	S	S	*	*			trans	-34	151.2	-177.3	-53.2	118	-167.9	151	0	118.4
829	H	38.5	Very low	36.3	Very low	176 Å²	176	157.8 Å²	157.8	82%	0.815	79%	0.785	S	S	*	*				168.2	164.9	107.3	-97.2	-89.2	0	0	0	111.5
830	R	36	Very low	36	Very low	204 Å²	204	160.5 Å²	160.5	77%	0.77	79%	0.789	S	S	*	*				-174.5	149.9	-61.2	179.3	-178.6	173.3	-172.2	-0.5	107.5
831	R	35.8	Very low	36.2	Very low	226 Å²	226	161.8 Å²	161.8	85%	0.853	79%	0.786	S	S	*	*			trans	87.4	122.4	179	-52.3	174.4	-178.1	-179.5	0.1	112.9
832	E	37	Very low	36.4	Very low	149 Å²	149	167.5 Å²	167.5	70%	0.696	79%	0.79	S	S	*	*			cis	91.6	136.9	15.8	-155.8	-161.9	-96.4	0	0	116.1
833	R	35.1	Very low	36.7	Very low	211 Å²	211	171.6 Å²	171.6	80%	0.796	79%	0.793	S	S	*	*			trans	88.5	147.5	174.1	-52.8	179	-166.5	-147.5	-11	114.2
834	Q	35.7	Very low	36.6	Very low	193 Å²	193	171 Å²	171	90%	0.902	79%	0.794	S	S	*	*			cis	-133.8	-170.1	20.1	-146.7	151.7	-6.8	0	0	113.7
835	R	30.3	Very low	36.6	Very low	229 Å²	229	173.8 Å²	173.8	86%	0.864	80%	0.799	S	S	*	*			trans	-142.3	178.9	-167	-149.1	-177.8	-169.8	178.4	3.2	110.5
836	T	39.1	Very low	36.6	Very low	124 Å²	124	179.4 Å²	179.4	76%	0.761	81%	0.811	S	S	*	*			trans	68.9	143.3	177.4	57	0	0	0	0	116.1
837	N	43.1	Very low	36.7	Very low	233 Å²	233	182.5 Å²	182.5	100%	1.246	82%	0.815	S	S	*	*			cis	-88.3	0	-5.1	-77.4	-30.7	0	0	0	112.1

Retrieved 837 of 837 residues in 1080.2 ms (Link to these results)

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